A0A096NB86_PAPAN Loading...

Alkaline ceramidase

Hydrolyzes the sphingolipid ceramide into sphingosine and free fatty acid.

AlphaFold DB (A0A2K5L5T9), UniProt , Accession A0A096NB86, Species PAPAN (Papio anubis, Olive baboon), Gene ACER3, Length 267 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	73.4	Confident	217 Å²	217	104.5 Å²	104.5	100%	1.069	55%	0.551	S	S	*	*				0	120.9	0	-73.4	170.8	-163	0	0	106.7	P208	M1-P208 HydrophobicContact SD-CG 4.26Å
2	A	38.4	Very low	75.1	Confident	86 Å²	86	98.6 Å²	98.6	71%	0.711	53%	0.533	S	S	*	.			trans	-61.4	144.1	175.3	0	0	0	0	0	109.4
3	P	51.5	Low	76.7	Confident	84 Å²	84	99 Å²	99	55%	0.545	54%	0.544	S	S	.	.			trans	-57.3	149.2	-174.4	22.3	-32.1	0	0	0	111.7	A5 K204	P3-A5 VanDerWaalsContact C-N 3.33Å; P3-A5 PolarHBondContact O-N 3.29Å; P3-K204 HydrophobicContact CB-CG 4.17Å
4	A	59	Low	78.1	Confident	29 Å²	29	97.2 Å²	97.2	24%	0.24	54%	0.538	C	S	.	.			trans	-65	96.5	163.6	0	0	0	0	0	107.6	E23 S26	A4-E23 HydrophobicContact CB-CB 4.03Å; A4-E23 HydrophobicContact CB-CG 4.06Å; A4-S26 WeakPolarHBondContact CB-OG 3.32Å
5	A	71.5	Confident	79.3	Confident	60 Å²	60	95.5 Å²	95.5	50%	0.496	53%	0.531	S	S	.	.			trans	-97.9	154	159.8	0	0	0	0	0	107.2	P3 R7	P3-A5 VanDerWaalsContact C-N 3.33Å; P3-A5 PolarHBondContact O-N 3.29Å; A5-R7 WeakPolarHBondContact O-CG 3.05Å; A5-R7 PolarHBondContact O-N 2.87Å
6	D	83	Confident	80.4	Confident	80 Å²	80	90.8 Å²	90.8	43%	0.428	51%	0.507	S	S	.	.			trans	-53.6	135.5	172.8	-60.8	-38.2	0	0	0	109.6	E23 N24 R200	D6-E23 WeakPolarHBondContact OD1-CA 3.22Å; D6-N24 HydrophobicContact CB-CB 4.11Å; D6-N24 PolarHBondContact OD1-N 3.44Å; D6-R200 IonicContact OD1-NH1 3.9Å; D6-R200 IonicContact OD1-NH2 3.85Å; D6-R200 IonicContact OD2-NH1 3.11Å; D6-R200 PolarHBondContact OD2-NH1 3.4Å
7	R	87.3	Confident	81.3	Confident	137 Å²	137	89.1 Å²	89.1	52%	0.517	50%	0.499	S	S	.	.			trans	-121.8	155.5	-176.5	-49.4	-174	178.6	-174.7	0.1	111	A5 G9 N24 Y25	A5-R7 WeakPolarHBondContact O-CG 3.05Å; A5-R7 PolarHBondContact O-N 2.87Å; R7-G9 PolarHBondContact O-N 3.38Å; R7-N24 PolarHBondContact N-O 3.37Å; R7-Y25 VanDerWaalsContact O-CD2 3.24Å; R7-Y25 WeakPolarHBondContact O-CD2 3.42Å
8	E	88.6	Confident	81.9	Confident	200 Å²	200	85.8 Å²	85.8	94%	0.935	48%	0.48	S	S	*	.			trans	-67.9	122.6	165.8	-69.4	-175	-179.7	0	0	109.6
9	G	91.9	Very high	82.6	Confident	19 Å²	19	84.8 Å²	84.8	20%	0.196	47%	0.474	C	S	.	.			trans	-116	176.8	-178	0	0	0	0	0	114.1	R7 W11 G12	R7-G9 PolarHBondContact O-N 3.38Å; G9-W11 VanDerWaalsContact C-N 3.33Å; G9-W11 PolarHBondContact O-N 3.26Å; G9-G12 PolarHBondContact O-N 2.81Å
10	Y	96.1	Very high	83.3	Confident	146 Å²	146	81.7 Å²	81.7	57%	0.573	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.7	-170.4	177.5	-100.2	0	0	0	114.5	G12 W29 Y30	Y10-G12 VanDerWaalsContact C-N 3.28Å; Y10-G12 PolarHBondContact O-N 3.21Å; Y10-W29 VanDerWaalsContact CB-O 3.29Å; Y10-W29 WeakPolarHBondContact CB-O 3.35Å; Y10-W29 PolarHBondContact N-O 3.06Å; Y10-Y30 AromaticContact CD1-CD2 3.74Å; Y10-Y30 HydrophobicContact CD1-CD2 3.74Å; Y10-Y30 AromaticContact CD1-CE2 3.72Å; Y10-Y30 HydrophobicContact CD1-CE2 3.72Å; Y10-Y30 HydrophobicContact CE1-CD2 4.18Å; Y10-Y30 AromaticContact CE1-CE2 3.72Å; Y10-Y30 HydrophobicContact CE1-CE2 3.72Å; Y10-Y30 AromaticContact CG-CD2 3.97Å; Y10-Y30 HydrophobicContact CG-CD2 3.97Å; Y10-Y30 HydrophobicContact CG-CE2 4.35Å
11	W	96.1	Very high	83.9	Confident	92 Å²	92	78 Å²	78	35%	0.348	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.9	-173	-66.1	105	0	0	0	114.3	G9 Y30 M82 T83 K85	G9-W11 VanDerWaalsContact C-N 3.33Å; G9-W11 PolarHBondContact O-N 3.26Å; W11-Y30 VanDerWaalsContact CD1-O 3.31Å; W11-Y30 HydrophobicContact CZ2-CE2 4.33Å; W11-Y30 PolarHBondContact NE1-O 3.41Å; W11-Y30 VanDerWaalsContact NE1-O 3.1Å; W11-M82 HydrophobicContact CZ2-CE 3.96Å; W11-T83 HydrophobicContact CD2-CG2 3.86Å; W11-T83 HydrophobicContact CE3-CG2 4.36Å; W11-T83 HydrophobicContact CG-CG2 3.91Å; W11-K85 WeakPolarHBondContact O-CE 3.37Å; W11-K85 PolarHBondContact O-NZ 2.86Å
12	G	94.3	Very high	86.4	Confident	33 Å²	33	67.8 Å²	67.8	34%	0.34	38%	0.384	S	S	.	.			trans	79.4	-167.2	-177.4	0	0	0	0	0	113.6	G9 Y10	G9-G12 PolarHBondContact O-N 2.81Å; Y10-G12 VanDerWaalsContact C-N 3.28Å; Y10-G12 PolarHBondContact O-N 3.21Å
13	P	94.9	Very high	89.1	Confident	104 Å²	104	64.1 Å²	64.1	68%	0.675	35%	0.352	S	S	*	.	S	Bend	trans	-70.4	150.7	-169.5	28.9	-36.2	0	0	0	113.2	T15 K85	P13-T15 PolarHBondContact O-N 2.95Å; P13-K85 PolarHBondContact O-NZ 3.47Å
14	T	96.5	Very high	91.2	Very high	74 Å²	74	60.5 Å²	60.5	45%	0.454	33%	0.328	S	S	.	.			trans	-64.4	129.8	176.4	54.8	0	0	0	0	110.7	L84	T14-L84 HydrophobicContact CG2-CB 3.77Å; T14-L84 HydrophobicContact CG2-CD1 3.69Å; T14-L84 HydrophobicContact CG2-CG 4.41Å
15	T	96.8	Very high	92.9	Very high	72 Å²	72	59.6 Å²	59.6	44%	0.442	32%	0.318	S	S	.	.			trans	-124.6	-4.9	179.5	61.3	0	0	0	0	112.9	P13 L84 K85 Y86	P13-T15 PolarHBondContact O-N 2.95Å; T15-L84 PolarHBondContact N-O 3.18Å; T15-K85 HydrophobicContact CG2-CD 4.49Å; T15-K85 WeakPolarHBondContact OG1-CA 3.37Å; T15-K85 WeakPolarHBondContact OG1-CD 3.34Å; T15-Y86 PolarHBondContact OG1-N 3.25Å
16	S	96.8	Very high	94	Very high	20 Å²	20	58.6 Å²	58.6	14%	0.14	31%	0.308	C	S	.	.	S	Bend	trans	-61.3	157.8	172	49.9	0	0	0	0	112.2	L18 L84	S16-L18 WeakPolarHBondContact CB-O 3.39Å; S16-L18 PolarHBondContact O-N 3.41Å; S16-L18 PolarHBondContact OG-O 2.85Å; S16-L84 PolarHBondContact N-O 3.05Å; S16-L84 PolarHBondContact OG-O 3.03Å
17	T	95.3	Very high	94.4	Very high	61 Å²	61	58.3 Å²	58.3	37%	0.374	31%	0.309	S	S	.	.	S	Bend	trans	-77.1	-13.9	177	59.1	0	0	0	0	112.8	Y86 Q89 K140	T17-Y86 HydrophobicContact CG2-CD2 4Å; T17-Y86 HydrophobicContact CG2-CE2 3.95Å; T17-Q89 PolarHBondContact OG1-NE2 3.24Å; T17-Q89 PolarHBondContact OG1-OE1 3.18Å; T17-K140 HydrophobicContact CG2-CB 4.29Å
18	L	92.1	Very high	94.8	Very high	31 Å²	31	54.1 Å²	54.1	16%	0.162	30%	0.298	C	S	.	.			trans	-141.5	155.6	175.6	61.1	154.9	0	0	0	111.4	S16 W20 F80 Q89 P142	S16-L18 WeakPolarHBondContact CB-O 3.39Å; S16-L18 PolarHBondContact O-N 3.41Å; S16-L18 PolarHBondContact OG-O 2.85Å; L18-W20 HydrophobicContact CD1-CD2 4.25Å; L18-W20 HydrophobicContact CD1-CE3 4.32Å; L18-W20 HydrophobicContact CD1-CH2 3.39Å; L18-W20 HydrophobicContact CD1-CZ2 3.3Å; L18-W20 HydrophobicContact CD1-CZ3 3.9Å; L18-W20 HydrophobicContact CG-CZ2 4.46Å; L18-F80 HydrophobicContact CG-CZ 4.49Å; L18-Q89 HydrophobicContact CD2-CG 4.47Å; L18-Q89 VanDerWaalsContact CD2-NE2 3.31Å; L18-P142 HydrophobicContact CD2-CB 4.16Å
19	D	95.4	Very high	95.2	Very high	67 Å²	67	54 Å²	54	36%	0.358	29%	0.29	S	S	.	.			trans	-136.1	135.2	177.4	-168.9	18.2	0	0	0	106.9	N24 L84	D19-N24 PolarHBondContact OD1-ND2 3.31Å; D19-N24 PolarHBondContact OD1-OD1 2.88Å; D19-N24 PolarHBondContact OD2-ND2 3.33Å; D19-L84 WeakPolarHBondContact OD1-CD1 3.41Å
20	W	96.1	Very high	95.4	Very high	21 Å²	21	58 Å²	58	8%	0.08	30%	0.299	C	S	.	.			trans	-93.1	-179.6	-170.7	-50	89.9	0	0	0	111.8	L18 E22 E33 F80 H81 W189 R200 H217	L18-W20 HydrophobicContact CD1-CD2 4.25Å; L18-W20 HydrophobicContact CD1-CE3 4.32Å; L18-W20 HydrophobicContact CD1-CH2 3.39Å; L18-W20 HydrophobicContact CD1-CZ2 3.3Å; L18-W20 HydrophobicContact CD1-CZ3 3.9Å; L18-W20 HydrophobicContact CG-CZ2 4.46Å; W20-E22 PolarHBondContact O-N 3.47Å; W20-E33 WeakPolarHBondContact CA-OE1 3.45Å; W20-E33 WeakPolarHBondContact CB-OE1 3.41Å; W20-E33 VanDerWaalsContact CD1-OE2 3.23Å; W20-E33 PolarHBondContact N-OE1 2.96Å; W20-F80 HydrophobicContact CZ2-CE1 4.31Å; W20-F80 AromaticContact NE1-CE1 3.25Å; W20-F80 AromaticContact NE1-CZ 3.69Å; W20-H81 AromaticContact CD1-CE1 3.35Å; W20-H81 AromaticContact CD1-ND1 3.56Å; W20-H81 AromaticContact CE2-CE1 3.91Å; W20-H81 AromaticContact NE1-CE1 3.14Å; W20-H81 PolarHBondContact NE1-CE1 3.42Å; W20-H81 AromaticContact NE1-ND1 3.71Å; W20-W189 AromaticContact CH2-NE1 3.43Å; W20-W189 AromaticContact CZ3-CE2 3.96Å; W20-W189 HydrophobicContact CZ3-CZ2 4.26Å; W20-W189 AromaticContact CZ3-NE1 3.23Å; W20-R200 PolarHBondContact O-NH2 3.42Å; W20-H217 AromaticContact CD2-CE1 3.39Å; W20-H217 AromaticContact CD2-ND1 3.67Å; W20-H217 AromaticContact CD2-NE2 3.63Å; W20-H217 AromaticContact CE2-CE1 3.49Å; W20-H217 VanDerWaalsContact CE2-CE1 3.49Å; W20-H217 AromaticContact CE2-NE2 3.49Å; W20-H217 AromaticContact CE3-CE1 3.24Å; W20-H217 AromaticContact CE3-ND1 3.3Å; W20-H217 VanDerWaalsContact CE3-ND1 3.3Å; W20-H217 AromaticContact CE3-NE2 3.97Å; W20-H217 AromaticContact CH2-CE1 3.31Å; W20-H217 WeakPolarHBondContact CH2-CE1 3.47Å; W20-H217 AromaticContact CZ2-CE1 3.42Å; W20-H217 VanDerWaalsContact CZ2-CE1 3.42Å; W20-H217 WeakPolarHBondContact CZ2-CE1 3.33Å; W20-H217 AromaticContact CZ2-NE2 3.66Å; W20-H217 AromaticContact CZ3-CE1 3.23Å; W20-H217 WeakPolarHBondContact CZ3-CE1 3.26Å; W20-H217 AromaticContact CZ3-ND1 3.59Å
21	C	96.3	Very high	95.5	Very high	4 Å²	4	52 Å²	52	3%	0.027	28%	0.277	C	S	.	.	S	Bend	trans	-74.9	-10.7	-173.4	-162.8	0	0	0	0	114.3	D192 C196 R200 R203	C21-D192 WeakPolarHBondContact CB-OD2 3.23Å; C21-D192 PolarHBondContact N-OD2 2.99Å; C21-C196 WeakPolarHBondContact CA-SG 3.35Å; C21-C196 HydrophobicContact CB-CB 3.82Å; C21-C196 WeakPolarHBondContact CB-SG 3.25Å; C21-C196 WeakPolarHBondContact SG-CA 3.43Å; C21-C196 WeakPolarHBondContact SG-CB 3.3Å; C21-C196 PolarHBondContact SG-O 3.3Å; C21-C196 VanDerWaalsContact SG-O 3.4Å; C21-C196 CovalentContact SG-SG 2.04Å; C21-C196 PolarHBondContact SG-SG 3.02Å; C21-R200 PolarHBondContact O-NE 2.81Å; C21-R200 PolarHBondContact O-NH2 2.9Å; C21-R203 PolarHBondContact O-NH1 2.83Å
22	E	96.1	Very high	95.6	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.014	26%	0.261	C	S	.	.	S	Bend	trans	-69.2	141.7	174.4	-176.7	167.6	-175.3	0	0	110.2	W20 E33 F34 W35 N36 R200	W20-E22 PolarHBondContact O-N 3.47Å; E22-E33 HydrophobicContact CB-CB 4.07Å; E22-E33 HydrophobicContact CB-CG 4.1Å; E22-E33 HydrophobicContact CG-CB 4.14Å; E22-E33 HydrophobicContact CG-CG 4.48Å; E22-F34 PolarHBondContact OE1-N 3.44Å; E22-W35 PolarHBondContact OE1-N 2.97Å; E22-W35 PolarHBondContact OE2-N 3.49Å; E22-W35 VanDerWaalsContact OE2-N 3.1Å; E22-N36 VanDerWaalsContact OE2-CG 3.28Å; E22-N36 PolarHBondContact OE2-N 3.03Å; E22-R200 PolarHBondContact O-NH2 2.99Å
23	E	94.8	Very high	95.7	Very high	9 Å²	9	46.1 Å²	46.1	4%	0.042	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-75.5	127.7	179.7	-60.4	93.4	153.4	0	0	112.1	A4 D6 Y25 S26 R203	A4-E23 HydrophobicContact CB-CB 4.03Å; A4-E23 HydrophobicContact CB-CG 4.06Å; D6-E23 WeakPolarHBondContact OD1-CA 3.22Å; E23-Y25 PolarHBondContact O-N 3.06Å; E23-S26 VanDerWaalsContact O-CB 3.26Å; E23-S26 WeakPolarHBondContact O-CB 3.48Å; E23-S26 PolarHBondContact O-N 3.4Å; E23-R203 IonicContact OE1-NH1 3.79Å; E23-R203 IonicContact OE2-NH1 3.14Å; E23-R203 PolarHBondContact OE2-NH1 3.5Å; E23-R203 VanDerWaalsContact OE2-NH1 3.11Å
24	N	96.3	Very high	95.8	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.048	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	125.2	-172.5	-71.9	-22.8	0	0	0	112.3	D6 R7 D19 S26 A32 L84	D6-N24 HydrophobicContact CB-CB 4.11Å; D6-N24 PolarHBondContact OD1-N 3.44Å; R7-N24 PolarHBondContact N-O 3.37Å; D19-N24 PolarHBondContact OD1-ND2 3.31Å; D19-N24 PolarHBondContact OD1-OD1 2.88Å; D19-N24 PolarHBondContact OD2-ND2 3.33Å; N24-S26 PolarHBondContact O-N 2.94Å; N24-A32 CarbonylContact C-O 3.59Å; N24-L84 VanDerWaalsContact OD1-CD1 3.25Å; N24-L84 WeakPolarHBondContact OD1-CD1 3.48Å
25	Y	95.8	Very high	95.9	Very high	10 Å²	10	43.7 Å²	43.7	4%	0.039	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	28.4	179.4	-55.7	-82.1	0	0	0	113.7	R7 E23 T28 W29 I31 A32	R7-Y25 VanDerWaalsContact O-CD2 3.24Å; R7-Y25 WeakPolarHBondContact O-CD2 3.42Å; E23-Y25 PolarHBondContact O-N 3.06Å; Y25-T28 CarbonylContact C-O 3.57Å; Y25-T28 WeakPolarHBondContact CA-O 3.47Å; Y25-W29 VanDerWaalsContact CD1-C 3.49Å; Y25-W29 WeakPolarHBondContact CD1-O 3.4Å; Y25-W29 WeakPolarHBondContact CE1-O 3.44Å; Y25-I31 WeakPolarHBondContact CD1-O 3.5Å; Y25-A32 HydrophobicContact CD1-CB 4.25Å; Y25-A32 HydrophobicContact CD2-CB 4.16Å; Y25-A32 HydrophobicContact CE1-CB 3.83Å; Y25-A32 HydrophobicContact CE2-CB 3.72Å; Y25-A32 HydrophobicContact CG-CB 4.43Å; Y25-A32 PolarHBondContact N-O 3.15Å
26	S	92.8	Very high	96	Very high	38 Å²	38	40.3 Å²	40.3	27%	0.266	19%	0.194	S	C	.	.	S	Bend	trans	-67.5	-41.4	-177.3	173.2	0	0	0	0	113.2	A4 E23 N24	A4-S26 WeakPolarHBondContact CB-OG 3.32Å; E23-S26 VanDerWaalsContact O-CB 3.26Å; E23-S26 WeakPolarHBondContact O-CB 3.48Å; E23-S26 PolarHBondContact O-N 3.4Å; N24-S26 PolarHBondContact O-N 2.94Å
27	V	93.2	Very high	96.1	Very high	75 Å²	75	39.3 Å²	39.3	46%	0.455	19%	0.188	S	C	.	.	S	Bend	trans	-85.5	-41.1	-178.6	-179.1	0	0	0	0	111.7	F34	V27-F34 HydrophobicContact CB-CB 3.69Å; V27-F34 HydrophobicContact CB-CD1 4.17Å; V27-F34 HydrophobicContact CB-CD2 4.09Å; V27-F34 HydrophobicContact CB-CG 3.72Å; V27-F34 HydrophobicContact CG1-CB 4.33Å; V27-F34 HydrophobicContact CG1-CD1 3.95Å; V27-F34 HydrophobicContact CG1-CD2 3.9Å; V27-F34 HydrophobicContact CG1-CE1 4.21Å; V27-F34 HydrophobicContact CG1-CE2 4.15Å; V27-F34 HydrophobicContact CG1-CG 3.78Å; V27-F34 HydrophobicContact CG1-CZ 4.3Å; V27-F34 HydrophobicContact CG2-CB 3.7Å; V27-F34 HydrophobicContact CG2-CD1 4.02Å; V27-F34 HydrophobicContact CG2-CG 3.93Å
28	T	95.2	Very high	96.2	Very high	49 Å²	49	38.4 Å²	38.4	30%	0.301	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-151.3	149.4	-179.4	175	0	0	0	0	110.1	Y25 Y30 I31 F34	Y25-T28 CarbonylContact C-O 3.57Å; Y25-T28 WeakPolarHBondContact CA-O 3.47Å; T28-Y30 PolarHBondContact O-N 3.15Å; T28-Y30 PolarHBondContact OG1-N 3.06Å; T28-I31 HydrophobicContact CG2-CB 3.94Å; T28-I31 HydrophobicContact CG2-CD1 4.48Å; T28-I31 HydrophobicContact CG2-CG1 4.18Å; T28-F34 HydrophobicContact CG2-CD2 3.87Å; T28-F34 HydrophobicContact CG2-CE2 4.38Å
29	W	95.9	Very high	96.5	Very high	198 Å²	198	37.5 Å²	37.5	75%	0.75	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.3	176.9	66.7	38.1	0	0	0	113.8	Y10 Y25	Y10-W29 VanDerWaalsContact CB-O 3.29Å; Y10-W29 WeakPolarHBondContact CB-O 3.35Å; Y10-W29 PolarHBondContact N-O 3.06Å; Y25-W29 VanDerWaalsContact CD1-C 3.49Å; Y25-W29 WeakPolarHBondContact CD1-O 3.4Å; Y25-W29 WeakPolarHBondContact CE1-O 3.44Å
30	Y	97.3	Very high	96.7	Very high	101 Å²	101	34.3 Å²	34.3	40%	0.396	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-25.9	-169	-173.5	-104.2	0	0	0	113	Y10 W11 T28 M82	Y10-Y30 AromaticContact CD1-CD2 3.74Å; Y10-Y30 HydrophobicContact CD1-CD2 3.74Å; Y10-Y30 AromaticContact CD1-CE2 3.72Å; Y10-Y30 HydrophobicContact CD1-CE2 3.72Å; Y10-Y30 HydrophobicContact CE1-CD2 4.18Å; Y10-Y30 AromaticContact CE1-CE2 3.72Å; Y10-Y30 HydrophobicContact CE1-CE2 3.72Å; Y10-Y30 AromaticContact CG-CD2 3.97Å; Y10-Y30 HydrophobicContact CG-CD2 3.97Å; Y10-Y30 HydrophobicContact CG-CE2 4.35Å; W11-Y30 VanDerWaalsContact CD1-O 3.31Å; W11-Y30 HydrophobicContact CZ2-CE2 4.33Å; W11-Y30 PolarHBondContact NE1-O 3.41Å; W11-Y30 VanDerWaalsContact NE1-O 3.1Å; T28-Y30 PolarHBondContact O-N 3.15Å; T28-Y30 PolarHBondContact OG1-N 3.06Å; Y30-M82 HydrophobicContact CE1-SD 4.2Å
31	I	97.8	Very high	96.8	Very high	22 Å²	22	37.2 Å²	37.2	11%	0.113	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-126.1	121.1	-176.1	-56.1	178.6	0	0	0	106.9	Y25 T28 F34 T37 M82	Y25-I31 WeakPolarHBondContact CD1-O 3.5Å; T28-I31 HydrophobicContact CG2-CB 3.94Å; T28-I31 HydrophobicContact CG2-CD1 4.48Å; T28-I31 HydrophobicContact CG2-CG1 4.18Å; I31-F34 HydrophobicContact CB-CD2 4.48Å; I31-F34 HydrophobicContact CD1-CD2 4.18Å; I31-F34 HydrophobicContact CD1-CE2 4.36Å; I31-T37 HydrophobicContact CG2-CG2 3.73Å; I31-T37 WeakPolarHBondContact CG2-OG1 3.47Å; I31-M82 HydrophobicContact CB-CG 4.46Å; I31-M82 HydrophobicContact CG1-CG 4.24Å; I31-M82 HydrophobicContact CG2-CB 4.32Å; I31-M82 HydrophobicContact CG2-CG 4.31Å
32	A	97.4	Very high	96.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	18%	0.184	C	C	.	.	S	Bend	trans	-63.6	-67.1	-175.8	0	0	0	0	0	111.6	N24 Y25 M82 L84	N24-A32 CarbonylContact C-O 3.59Å; Y25-A32 HydrophobicContact CD1-CB 4.25Å; Y25-A32 HydrophobicContact CD2-CB 4.16Å; Y25-A32 HydrophobicContact CE1-CB 3.83Å; Y25-A32 HydrophobicContact CE2-CB 3.72Å; Y25-A32 HydrophobicContact CG-CB 4.43Å; Y25-A32 PolarHBondContact N-O 3.15Å; A32-M82 PolarHBondContact N-O 2.96Å; A32-M82 VanDerWaalsContact N-O 3.14Å; A32-L84 HydrophobicContact CB-CD1 3.65Å; A32-L84 HydrophobicContact CB-CG 3.96Å
33	E	97.6	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-104.3	91.1	178.9	-60.4	-177.5	150.2	0	0	108.9	W20 E22 W35 N36 T37 H81 L84	W20-E33 WeakPolarHBondContact CA-OE1 3.45Å; W20-E33 WeakPolarHBondContact CB-OE1 3.41Å; W20-E33 VanDerWaalsContact CD1-OE2 3.23Å; W20-E33 PolarHBondContact N-OE1 2.96Å; E22-E33 HydrophobicContact CB-CB 4.07Å; E22-E33 HydrophobicContact CB-CG 4.1Å; E22-E33 HydrophobicContact CG-CB 4.14Å; E22-E33 HydrophobicContact CG-CG 4.48Å; E33-W35 PolarHBondContact O-N 3.31Å; E33-N36 HydrophobicContact CB-CB 3.79Å; E33-N36 PolarHBondContact OE2-ND2 2.91Å; E33-T37 WeakPolarHBondContact O-CB 3.4Å; E33-T37 PolarHBondContact O-N 3.41Å; E33-T37 PolarHBondContact O-OG1 3.39Å; E33-H81 HydrophobicContact CB-CB 4.35Å; E33-H81 PolarHBondContact N-O 3.34Å; E33-H81 IonicContact OE2-CE1 3.86Å; E33-H81 IonicContact OE2-CG 2.73Å; E33-H81 IonicContact OE2-ND1 3.31Å; E33-H81 PolarHBondContact OE2-ND1 3Å; E33-L84 HydrophobicContact CG-CD1 4.36Å
34	F	97.6	Very high	97.1	Very high	48 Å²	48	39.9 Å²	39.9	21%	0.211	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-49.4	-167.7	-178.9	-91.6	0	0	0	113	E22 V27 T28 I31 T37 V38	E22-F34 PolarHBondContact OE1-N 3.44Å; V27-F34 HydrophobicContact CB-CB 3.69Å; V27-F34 HydrophobicContact CB-CD1 4.17Å; V27-F34 HydrophobicContact CB-CD2 4.09Å; V27-F34 HydrophobicContact CB-CG 3.72Å; V27-F34 HydrophobicContact CG1-CB 4.33Å; V27-F34 HydrophobicContact CG1-CD1 3.95Å; V27-F34 HydrophobicContact CG1-CD2 3.9Å; V27-F34 HydrophobicContact CG1-CE1 4.21Å; V27-F34 HydrophobicContact CG1-CE2 4.15Å; V27-F34 HydrophobicContact CG1-CG 3.78Å; V27-F34 HydrophobicContact CG1-CZ 4.3Å; V27-F34 HydrophobicContact CG2-CB 3.7Å; V27-F34 HydrophobicContact CG2-CD1 4.02Å; V27-F34 HydrophobicContact CG2-CG 3.93Å; T28-F34 HydrophobicContact CG2-CD2 3.87Å; T28-F34 HydrophobicContact CG2-CE2 4.38Å; I31-F34 HydrophobicContact CB-CD2 4.48Å; I31-F34 HydrophobicContact CD1-CD2 4.18Å; I31-F34 HydrophobicContact CD1-CE2 4.36Å; F34-T37 PolarHBondContact O-N 2.96Å; F34-V38 HydrophobicContact CD1-CG2 4.4Å; F34-V38 HydrophobicContact CE1-CG1 4.18Å; F34-V38 HydrophobicContact CE1-CG2 4.16Å; F34-V38 HydrophobicContact CE2-CG1 4.18Å; F34-V38 HydrophobicContact CZ-CG1 3.99Å; F34-V38 WeakPolarHBondContact O-CG2 3.37Å; F34-V38 PolarHBondContact O-N 3.21Å
35	W	97.8	Very high	97.1	Very high	79 Å²	79	43.4 Å²	43.4	30%	0.299	21%	0.209	S	C	.	.	H	α-helix	trans	-72.4	-39.8	-177	-63	108	0	0	0	111.8	E22 E33 T37 V38 S39 I212 Q215 A218	E22-W35 PolarHBondContact OE1-N 2.97Å; E22-W35 PolarHBondContact OE2-N 3.49Å; E22-W35 VanDerWaalsContact OE2-N 3.1Å; E33-W35 PolarHBondContact O-N 3.31Å; W35-T37 PolarHBondContact O-N 2.98Å; W35-V38 HydrophobicContact CE3-CG2 4.02Å; W35-V38 HydrophobicContact CZ3-CG2 4.47Å; W35-S39 WeakPolarHBondContact O-CB 3.43Å; W35-S39 PolarHBondContact O-N 3.13Å; W35-S39 PolarHBondContact O-OG 3.41Å; W35-I212 HydrophobicContact CD2-CG1 4.4Å; W35-I212 HydrophobicContact CD2-CG2 4.01Å; W35-I212 HydrophobicContact CE3-CG2 4.1Å; W35-I212 HydrophobicContact CH2-CD1 3.65Å; W35-I212 HydrophobicContact CH2-CG1 4.19Å; W35-I212 HydrophobicContact CH2-CG2 4.46Å; W35-I212 HydrophobicContact CZ2-CD1 3.4Å; W35-I212 HydrophobicContact CZ2-CG1 3.57Å; W35-I212 HydrophobicContact CZ2-CG2 4.38Å; W35-I212 HydrophobicContact CZ3-CD1 4.47Å; W35-I212 HydrophobicContact CZ3-CG2 4.32Å; W35-Q215 HydrophobicContact CB-CB 4.23Å; W35-Q215 HydrophobicContact CB-CG 4.07Å; W35-Q215 HydrophobicContact CG-CG 4.12Å; W35-A218 HydrophobicContact CB-CB 4.04Å; W35-A218 WeakPolarHBondContact O-CB 3.5Å
36	N	98.4	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-38	171	-69.3	-11.7	0	0	0	110.9	E22 E33 S39 N40 H81 A218 H221	E22-N36 VanDerWaalsContact OE2-CG 3.28Å; E22-N36 PolarHBondContact OE2-N 3.03Å; E33-N36 HydrophobicContact CB-CB 3.79Å; E33-N36 PolarHBondContact OE2-ND2 2.91Å; N36-S39 PolarHBondContact O-OG 3.34Å; N36-N40 PolarHBondContact O-ND2 3.14Å; N36-H81 HydrophobicContact CB-CB 4.05Å; N36-H81 WeakPolarHBondContact CB-ND1 3.28Å; N36-A218 PolarHBondContact OD1-N 3Å; N36-H221 PolarHBondContact O-CE1 2.91Å; N36-H221 PolarHBondContact O-ND1 3.2Å
37	T	98.7	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.8	-57.1	177.3	-59.2	0	0	0	0	112	I31 E33 F34 W35 S39 N40 W78 H81 M82	I31-T37 HydrophobicContact CG2-CG2 3.73Å; I31-T37 WeakPolarHBondContact CG2-OG1 3.47Å; E33-T37 WeakPolarHBondContact O-CB 3.4Å; E33-T37 PolarHBondContact O-N 3.41Å; E33-T37 PolarHBondContact O-OG1 3.39Å; F34-T37 PolarHBondContact O-N 2.96Å; W35-T37 PolarHBondContact O-N 2.98Å; T37-S39 VanDerWaalsContact C-N 3.31Å; T37-S39 PolarHBondContact O-N 3.23Å; T37-N40 WeakPolarHBondContact O-CB 3.32Å; T37-N40 PolarHBondContact O-N 2.88Å; T37-N40 PolarHBondContact O-ND2 2.94Å; T37-W78 VanDerWaalsContact CG2-CD1 3.47Å; T37-W78 HydrophobicContact CG2-CD2 4.06Å; T37-W78 HydrophobicContact CG2-CG 3.88Å; T37-W78 HydrophobicContact CG2-CZ2 4.46Å; T37-H81 VanDerWaalsContact OG1-CB 3.28Å; T37-H81 WeakPolarHBondContact OG1-CB 3.15Å; T37-H81 PolarHBondContact OG1-O 3.15Å; T37-M82 HydrophobicContact CG2-CB 4.19Å; T37-M82 PolarHBondContact OG1-N 3.46Å
38	V	98.6	Very high	97.6	Very high	42 Å²	42	41.6 Å²	41.6	26%	0.255	19%	0.194	S	C	.	.	H	α-helix	trans	-71.7	-24.5	-172.1	-59	0	0	0	0	113.4	F34 W35 N40 L41	F34-V38 HydrophobicContact CD1-CG2 4.4Å; F34-V38 HydrophobicContact CE1-CG1 4.18Å; F34-V38 HydrophobicContact CE1-CG2 4.16Å; F34-V38 HydrophobicContact CE2-CG1 4.18Å; F34-V38 HydrophobicContact CZ-CG1 3.99Å; F34-V38 WeakPolarHBondContact O-CG2 3.37Å; F34-V38 PolarHBondContact O-N 3.21Å; W35-V38 HydrophobicContact CE3-CG2 4.02Å; W35-V38 HydrophobicContact CZ3-CG2 4.47Å; V38-N40 PolarHBondContact O-N 2.73Å; V38-L41 WeakPolarHBondContact O-CB 3.24Å; V38-L41 WeakPolarHBondContact O-CG 3.47Å; V38-L41 PolarHBondContact O-N 2.66Å
39	S	98.6	Very high	97.6	Very high	12 Å²	12	45.5 Å²	45.5	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-25.7	174.8	52.7	0	0	0	0	112.5	W35 N36 T37 L41 I42 A218 H221 I222	W35-S39 WeakPolarHBondContact O-CB 3.43Å; W35-S39 PolarHBondContact O-N 3.13Å; W35-S39 PolarHBondContact O-OG 3.41Å; N36-S39 PolarHBondContact O-OG 3.34Å; T37-S39 VanDerWaalsContact C-N 3.31Å; T37-S39 PolarHBondContact O-N 3.23Å; S39-L41 PolarHBondContact O-N 3.27Å; S39-L41 VanDerWaalsContact O-N 3.11Å; S39-I42 VanDerWaalsContact O-CG2 3.28Å; S39-I42 WeakPolarHBondContact O-CG2 3.43Å; S39-I42 PolarHBondContact O-N 2.94Å; S39-A218 WeakPolarHBondContact CB-O 3.15Å; S39-H221 PolarHBondContact OG-ND1 2.91Å; S39-I222 WeakPolarHBondContact O-CD1 3.36Å
40	N	98.7	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.9	177.4	-69.6	-50.2	0	0	0	115	N36 T37 V38 I42 M43 I44 S77 W78	N36-N40 PolarHBondContact O-ND2 3.14Å; T37-N40 WeakPolarHBondContact O-CB 3.32Å; T37-N40 PolarHBondContact O-N 2.88Å; T37-N40 PolarHBondContact O-ND2 2.94Å; V38-N40 PolarHBondContact O-N 2.73Å; N40-I42 PolarHBondContact O-N 3.18Å; N40-I42 VanDerWaalsContact O-N 3.11Å; N40-M43 HydrophobicContact CB-CE 4.42Å; N40-M43 WeakPolarHBondContact O-CA 3.39Å; N40-M43 WeakPolarHBondContact O-CB 3.32Å; N40-M43 PolarHBondContact O-N 2.9Å; N40-M43 WeakPolarHBondContact OD1-CE 3.35Å; N40-I44 WeakPolarHBondContact O-CG1 3.36Å; N40-I44 PolarHBondContact O-N 3.25Å; N40-S77 VanDerWaalsContact CG-OG 3.31Å; N40-S77 WeakPolarHBondContact ND2-CB 3.46Å; N40-S77 PolarHBondContact ND2-OG 2.85Å; N40-S77 WeakPolarHBondContact OD1-CB 3.48Å; N40-S77 PolarHBondContact OD1-OG 3.44Å; N40-W78 HydrophobicContact CB-CB 4.18Å; N40-W78 PolarHBondContact ND2-N 3.12Å
41	L	98.4	Very high	97.5	Very high	82 Å²	82	31.6 Å²	31.6	43%	0.429	16%	0.156	S	C	.	.	H	α-helix	trans	-56.7	-29.6	177.7	-72.5	174	0	0	0	113.2	V38 S39 M43 I44 I45 P46	V38-L41 WeakPolarHBondContact O-CB 3.24Å; V38-L41 WeakPolarHBondContact O-CG 3.47Å; V38-L41 PolarHBondContact O-N 2.66Å; S39-L41 PolarHBondContact O-N 3.27Å; S39-L41 VanDerWaalsContact O-N 3.11Å; L41-M43 VanDerWaalsContact C-N 3.28Å; L41-M43 PolarHBondContact O-N 2.97Å; L41-I44 PolarHBondContact O-N 3.03Å; L41-I45 HydrophobicContact CB-CD1 4.41Å; L41-I45 HydrophobicContact CD2-CD1 4.22Å; L41-I45 PolarHBondContact O-N 3.22Å; L41-P46 WeakPolarHBondContact O-CD 3.39Å
42	I	96.9	Very high	97.3	Very high	31 Å²	31	34.1 Å²	34.1	16%	0.159	17%	0.169	C	C	.	.	H	α-helix	trans	-71	-21.7	175.5	-163.5	170	0	0	0	113.5	S39 N40 P46 I222 L226 W256	S39-I42 VanDerWaalsContact O-CG2 3.28Å; S39-I42 WeakPolarHBondContact O-CG2 3.43Å; S39-I42 PolarHBondContact O-N 2.94Å; N40-I42 PolarHBondContact O-N 3.18Å; N40-I42 VanDerWaalsContact O-N 3.11Å; I42-P46 HydrophobicContact CG1-CG 4.38Å; I42-P46 WeakPolarHBondContact O-CD 3.36Å; I42-P46 WeakPolarHBondContact O-CG 3.28Å; I42-I222 HydrophobicContact CB-CD1 4.39Å; I42-I222 HydrophobicContact CD1-CG2 4.04Å; I42-I222 HydrophobicContact CG2-CD1 3.87Å; I42-L226 HydrophobicContact CD1-CB 4.29Å; I42-W256 HydrophobicContact CD1-CH2 4.1Å; I42-W256 HydrophobicContact CD1-CZ3 3.99Å; I42-W256 HydrophobicContact CG1-CH2 3.69Å; I42-W256 HydrophobicContact CG1-CZ3 3.9Å
43	M	97.8	Very high	97.1	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.044	18%	0.177	C	C	.	.	H	α-helix	trans	-88.4	-15.1	171.7	-68.3	-168.7	-73	0	0	112.1	N40 L41 P47 L70 T71 V73 H221	N40-M43 HydrophobicContact CB-CE 4.42Å; N40-M43 WeakPolarHBondContact O-CA 3.39Å; N40-M43 WeakPolarHBondContact O-CB 3.32Å; N40-M43 PolarHBondContact O-N 2.9Å; N40-M43 WeakPolarHBondContact OD1-CE 3.35Å; L41-M43 VanDerWaalsContact C-N 3.28Å; L41-M43 PolarHBondContact O-N 2.97Å; M43-P47 VanDerWaalsContact O-CG 3.26Å; M43-P47 WeakPolarHBondContact O-CG 3.47Å; M43-L70 HydrophobicContact CG-CD1 4.47Å; M43-L70 HydrophobicContact SD-CD1 4.45Å; M43-T71 WeakPolarHBondContact O-CA 3.2Å; M43-V73 HydrophobicContact SD-CG1 4.48Å; M43-H221 HydrophobicContact CE-CB 3.95Å
44	I	98.5	Very high	96.9	Very high	31 Å²	31	36 Å²	36	16%	0.159	18%	0.178	C	C	.	.	H	α-helix	trans	-96.3	-64.3	-179	-61.5	167.1	0	0	0	110.6	N40 L41 M48 T71 M75 W78	N40-I44 WeakPolarHBondContact O-CG1 3.36Å; N40-I44 PolarHBondContact O-N 3.25Å; L41-I44 PolarHBondContact O-N 3.03Å; I44-M48 WeakPolarHBondContact O-CB 3.44Å; I44-M48 VanDerWaalsContact O-CG 3.24Å; I44-M48 WeakPolarHBondContact O-CG 3.37Å; I44-M48 PolarHBondContact O-N 3.34Å; I44-M48 VanDerWaalsContact O-N 3.15Å; I44-T71 HydrophobicContact CG2-CG2 4.19Å; I44-M75 HydrophobicContact CD1-CG 4.16Å; I44-M75 HydrophobicContact CG1-CG 4.04Å; I44-M75 HydrophobicContact CG2-CG 4.42Å; I44-W78 HydrophobicContact CD1-CB 4.25Å
45	I	97.1	Very high	96.7	Very high	84 Å²	84	38.1 Å²	38.1	43%	0.431	19%	0.194	S	C	.	.	H	α-helix	trans	-65.6	-56.8	-166.9	-60.7	175.6	0	0	0	111.1	L41 M48 F49	L41-I45 HydrophobicContact CB-CD1 4.41Å; L41-I45 HydrophobicContact CD2-CD1 4.22Å; L41-I45 PolarHBondContact O-N 3.22Å; I45-M48 WeakPolarHBondContact O-CB 3.46Å; I45-M48 PolarHBondContact O-N 3.44Å; I45-F49 HydrophobicContact CG2-CD2 3.76Å; I45-F49 HydrophobicContact CG2-CE2 3.57Å; I45-F49 VanDerWaalsContact O-CD2 3.26Å; I45-F49 WeakPolarHBondContact O-CD2 3.36Å; I45-F49 PolarHBondContact O-N 3.24Å; I45-F49 VanDerWaalsContact O-N 3.1Å
46	P	96.1	Very high	96.4	Very high	15 Å²	15	44.1 Å²	44.1	10%	0.097	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-40.8	-174.7	-9.9	22.2	0	0	0	115.2	L41 I42 M48 F49 G50 Y229 W256	L41-P46 WeakPolarHBondContact O-CD 3.39Å; I42-P46 HydrophobicContact CG1-CG 4.38Å; I42-P46 WeakPolarHBondContact O-CD 3.36Å; I42-P46 WeakPolarHBondContact O-CG 3.28Å; P46-M48 VanDerWaalsContact C-N 3.3Å; P46-M48 PolarHBondContact O-N 2.76Å; P46-F49 PolarHBondContact O-N 3.25Å; P46-G50 PolarHBondContact O-N 2.97Å; P46-Y229 HydrophobicContact CB-CE2 4.46Å; P46-W256 HydrophobicContact CB-CD2 3.9Å; P46-W256 HydrophobicContact CB-CE3 4.5Å; P46-W256 HydrophobicContact CB-CG 4.49Å; P46-W256 HydrophobicContact CB-CH2 3.82Å; P46-W256 HydrophobicContact CB-CZ2 3.1Å; P46-W256 HydrophobicContact CB-CZ3 4.46Å; P46-W256 VanDerWaalsContact CB-NE1 3.29Å; P46-W256 HydrophobicContact CG-CD2 4.23Å; P46-W256 HydrophobicContact CG-CE3 4.36Å; P46-W256 HydrophobicContact CG-CH2 3.63Å; P46-W256 HydrophobicContact CG-CZ2 3.49Å; P46-W256 VanDerWaalsContact CG-CZ2 3.49Å; P46-W256 HydrophobicContact CG-CZ3 4.07Å
47	P	97.1	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-35.9	172.7	-27.3	38.7	0	0	0	112.8	M43 F49 G50 A51 Y67 L70 Y229	M43-P47 VanDerWaalsContact O-CG 3.26Å; M43-P47 WeakPolarHBondContact O-CG 3.47Å; P47-F49 PolarHBondContact O-N 2.97Å; P47-G50 CarbonylContact O-C 3.6Å; P47-G50 WeakPolarHBondContact O-CA 3.41Å; P47-G50 PolarHBondContact O-N 3.38Å; P47-G50 VanDerWaalsContact O-N 3.14Å; P47-A51 PolarHBondContact O-N 3.37Å; P47-Y67 HydrophobicContact CB-CD1 4.17Å; P47-Y67 WeakPolarHBondContact CB-O 3.47Å; P47-Y67 WeakPolarHBondContact O-CB 3.26Å; P47-L70 HydrophobicContact CB-CB 4.2Å; P47-L70 HydrophobicContact CB-CD2 4.18Å; P47-L70 HydrophobicContact CB-CG 4.26Å; P47-L70 HydrophobicContact CG-CB 4.32Å; P47-L70 HydrophobicContact CG-CD2 3.56Å; P47-L70 HydrophobicContact CG-CG 3.83Å; P47-Y229 HydrophobicContact CG-CD2 4.16Å
48	M	97.4	Very high	95.6	Very high	70 Å²	70	50 Å²	50	35%	0.345	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-44.1	173.2	-79.6	-57.8	-67.8	0	0	112.7	I44 I45 P46 G50 A51 I52 L68 T71	I44-M48 WeakPolarHBondContact O-CB 3.44Å; I44-M48 VanDerWaalsContact O-CG 3.24Å; I44-M48 WeakPolarHBondContact O-CG 3.37Å; I44-M48 PolarHBondContact O-N 3.34Å; I44-M48 VanDerWaalsContact O-N 3.15Å; I45-M48 WeakPolarHBondContact O-CB 3.46Å; I45-M48 PolarHBondContact O-N 3.44Å; P46-M48 VanDerWaalsContact C-N 3.3Å; P46-M48 PolarHBondContact O-N 2.76Å; M48-G50 VanDerWaalsContact C-N 3.3Å; M48-G50 PolarHBondContact O-N 2.94Å; M48-A51 PolarHBondContact O-N 3.44Å; M48-I52 WeakPolarHBondContact O-CG1 3.28Å; M48-I52 PolarHBondContact O-N 2.94Å; M48-L68 HydrophobicContact CE-CD2 4.44Å; M48-L68 HydrophobicContact SD-CD2 3.8Å; M48-T71 HydrophobicContact CG-CG2 3.42Å; M48-T71 VanDerWaalsContact CG-CG2 3.42Å; M48-T71 WeakPolarHBondContact CG-OG1 3.39Å; M48-T71 PolarHBondContact N-OG1 2.93Å; M48-T71 HydrophobicContact SD-CG2 3.57Å; M48-T71 VanDerWaalsContact SD-CG2 3.57Å
49	F	95.1	Very high	95.3	Very high	130 Å²	130	49.4 Å²	49.4	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-59.9	-41.7	172.2	-83.3	-75.8	0	0	0	111.7	I45 P46 P47 A51 I52 Q53	I45-F49 HydrophobicContact CG2-CD2 3.76Å; I45-F49 HydrophobicContact CG2-CE2 3.57Å; I45-F49 VanDerWaalsContact O-CD2 3.26Å; I45-F49 WeakPolarHBondContact O-CD2 3.36Å; I45-F49 PolarHBondContact O-N 3.24Å; I45-F49 VanDerWaalsContact O-N 3.1Å; P46-F49 PolarHBondContact O-N 3.25Å; P47-F49 PolarHBondContact O-N 2.97Å; F49-A51 PolarHBondContact O-N 3.48Å; F49-I52 PolarHBondContact O-N 3.44Å; F49-Q53 WeakPolarHBondContact O-CB 3.38Å; F49-Q53 PolarHBondContact O-N 3.46Å
50	G	94.8	Very high	95.2	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-41.2	174.7	0	0	0	0	0	113.2	P46 P47 M48 S54	P46-G50 PolarHBondContact O-N 2.97Å; P47-G50 CarbonylContact O-C 3.6Å; P47-G50 WeakPolarHBondContact O-CA 3.41Å; P47-G50 PolarHBondContact O-N 3.38Å; P47-G50 VanDerWaalsContact O-N 3.14Å; M48-G50 VanDerWaalsContact C-N 3.3Å; M48-G50 PolarHBondContact O-N 2.94Å; G50-S54 VanDerWaalsContact O-CB 3.28Å; G50-S54 WeakPolarHBondContact O-CB 3.28Å; G50-S54 PolarHBondContact O-N 3Å; G50-S54 PolarHBondContact O-OG 3.39Å
51	A	96.6	Very high	95.2	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-48.2	175.6	0	0	0	0	0	111.9	P47 M48 F49 Q53 S54 V55 L68	P47-A51 PolarHBondContact O-N 3.37Å; M48-A51 PolarHBondContact O-N 3.44Å; F49-A51 PolarHBondContact O-N 3.48Å; A51-Q53 VanDerWaalsContact C-N 3.33Å; A51-Q53 PolarHBondContact O-N 3.06Å; A51-S54 WeakPolarHBondContact O-CB 3.47Å; A51-S54 PolarHBondContact O-N 3.01Å; A51-V55 WeakPolarHBondContact O-CG2 3.28Å; A51-V55 PolarHBondContact O-N 3.26Å; A51-L68 HydrophobicContact CB-CD2 3.74Å; A51-L68 HydrophobicContact CB-CG 3.93Å
52	I	95.2	Very high	95.1	Very high	76 Å²	76	56.9 Å²	56.9	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-45	178.5	-66.8	166	0	0	0	110.4	M48 F49 V55 R56	M48-I52 WeakPolarHBondContact O-CG1 3.28Å; M48-I52 PolarHBondContact O-N 2.94Å; F49-I52 PolarHBondContact O-N 3.44Å; I52-V55 PolarHBondContact O-N 3Å; I52-R56 WeakPolarHBondContact O-CG 3.43Å; I52-R56 PolarHBondContact O-N 2.94Å; I52-R56 VanDerWaalsContact O-N 3.09Å
53	Q	92.3	Very high	95.2	Very high	37 Å²	37	55.5 Å²	55.5	17%	0.173	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176.4	-172.8	-174.8	-25.3	0	0	111.1	F49 A51 V55 R56 D57 I259	F49-Q53 WeakPolarHBondContact O-CB 3.38Å; F49-Q53 PolarHBondContact O-N 3.46Å; A51-Q53 VanDerWaalsContact C-N 3.33Å; A51-Q53 PolarHBondContact O-N 3.06Å; Q53-V55 VanDerWaalsContact C-N 3.27Å; Q53-V55 PolarHBondContact O-N 3.33Å; Q53-R56 PolarHBondContact O-N 2.98Å; Q53-R56 VanDerWaalsContact O-N 3.09Å; Q53-D57 WeakPolarHBondContact CG-OD2 3.41Å; Q53-D57 PolarHBondContact NE2-OD2 3.44Å; Q53-D57 VanDerWaalsContact NE2-OD2 3.08Å; Q53-D57 WeakPolarHBondContact O-CB 3.2Å; Q53-D57 PolarHBondContact O-N 2.89Å; Q53-I259 PolarHBondContact NE2-O 3.48Å
54	S	92.9	Very high	95.2	Very high	4 Å²	4	56.6 Å²	56.6	3%	0.028	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-36.1	179.2	-62.8	0	0	0	0	113	G50 A51 G58 L59 Y67	G50-S54 VanDerWaalsContact O-CB 3.28Å; G50-S54 WeakPolarHBondContact O-CB 3.28Å; G50-S54 PolarHBondContact O-N 3Å; G50-S54 PolarHBondContact O-OG 3.39Å; A51-S54 WeakPolarHBondContact O-CB 3.47Å; A51-S54 PolarHBondContact O-N 3.01Å; S54-G58 PolarHBondContact O-N 2.92Å; S54-L59 WeakPolarHBondContact O-CB 3.3Å; S54-L59 PolarHBondContact O-N 3.37Å; S54-Y67 WeakPolarHBondContact OG-CE2 3.34Å
55	V	94.4	Very high	95.2	Very high	91 Å²	91	56.9 Å²	56.9	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-67.4	-47.2	173.2	173	0	0	0	0	110.9	A51 I52 Q53 D57 G58 I64	A51-V55 WeakPolarHBondContact O-CG2 3.28Å; A51-V55 PolarHBondContact O-N 3.26Å; I52-V55 PolarHBondContact O-N 3Å; Q53-V55 VanDerWaalsContact C-N 3.27Å; Q53-V55 PolarHBondContact O-N 3.33Å; V55-D57 VanDerWaalsContact C-N 3.31Å; V55-D57 PolarHBondContact O-N 3.11Å; V55-G58 PolarHBondContact O-N 3.09Å; V55-G58 VanDerWaalsContact O-N 3.15Å; V55-I64 HydrophobicContact CG2-CD1 3.71Å; V55-I64 HydrophobicContact CG2-CG1 4.05Å; V55-I64 HydrophobicContact CG2-CG2 3.91Å
56	R	91.8	Very high	95.3	Very high	206 Å²	206	53 Å²	53	78%	0.777	27%	0.271	S	S	*	.	H	α-helix	trans	-61.3	-39.2	179.6	-72.7	176.8	177.2	-175.7	-0.2	112.5	I52 Q53 G58	I52-R56 WeakPolarHBondContact O-CG 3.43Å; I52-R56 PolarHBondContact O-N 2.94Å; I52-R56 VanDerWaalsContact O-N 3.09Å; Q53-R56 PolarHBondContact O-N 2.98Å; Q53-R56 VanDerWaalsContact O-N 3.09Å; R56-G58 PolarHBondContact O-N 3.39Å
57	D	89.1	Confident	95.4	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.332	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.5	-179.5	-65	-12.8	0	0	0	112.5	Q53 V55 L59 F261	Q53-D57 WeakPolarHBondContact CG-OD2 3.41Å; Q53-D57 PolarHBondContact NE2-OD2 3.44Å; Q53-D57 VanDerWaalsContact NE2-OD2 3.08Å; Q53-D57 WeakPolarHBondContact O-CB 3.2Å; Q53-D57 PolarHBondContact O-N 2.89Å; V55-D57 VanDerWaalsContact C-N 3.31Å; V55-D57 PolarHBondContact O-N 3.11Å; D57-L59 HydrophobicContact CB-CD2 4.23Å; D57-L59 HydrophobicContact CB-CG 4.05Å; D57-L59 PolarHBondContact O-N 3.02Å; D57-F261 HydrophobicContact CB-CD2 4.07Å; D57-F261 WeakPolarHBondContact OD2-CD2 3.06Å
58	G	90.8	Very high	95.5	Very high	62 Å²	62	56 Å²	56	64%	0.639	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	33.8	176.9	0	0	0	0	0	114.1	S54 V55 R56	S54-G58 PolarHBondContact O-N 2.92Å; V55-G58 PolarHBondContact O-N 3.09Å; V55-G58 VanDerWaalsContact O-N 3.15Å; R56-G58 PolarHBondContact O-N 3.39Å
59	L	92.8	Very high	95.5	Very high	29 Å²	29	53.3 Å²	53.3	15%	0.152	28%	0.275	C	S	.	.			trans	-73.3	164	-177.7	-55.7	-177.2	0	0	0	112.5	S54 D57 K61 L236 F261	S54-L59 WeakPolarHBondContact O-CB 3.3Å; S54-L59 PolarHBondContact O-N 3.37Å; D57-L59 HydrophobicContact CB-CD2 4.23Å; D57-L59 HydrophobicContact CB-CG 4.05Å; D57-L59 PolarHBondContact O-N 3.02Å; L59-K61 PolarHBondContact O-N 3.02Å; L59-L236 HydrophobicContact CD1-CD1 3.97Å; L59-L236 HydrophobicContact CD1-CD2 3.82Å; L59-F261 HydrophobicContact CD1-CD2 4.38Å; L59-F261 HydrophobicContact CD1-CE2 3.52Å; L59-F261 HydrophobicContact CD1-CZ 3.74Å; L59-F261 HydrophobicContact CD2-CD1 4.12Å; L59-F261 HydrophobicContact CD2-CD2 3.99Å; L59-F261 HydrophobicContact CD2-CE1 3.74Å; L59-F261 HydrophobicContact CD2-CE2 3.66Å; L59-F261 HydrophobicContact CD2-CG 4.22Å; L59-F261 HydrophobicContact CD2-CZ 3.53Å; L59-F261 HydrophobicContact CG-CE2 4.15Å; L59-F261 HydrophobicContact CG-CZ 4.29Å
60	E	95.7	Very high	95.7	Very high	33 Å²	33	47.4 Å²	47.4	15%	0.154	25%	0.249	C	C	.	.			trans	-61.7	135.2	178.8	-60.8	174.9	137.4	0	0	110.7	R62 Y63 R239	E60-R62 HydrophobicContact CB-CG 4.19Å; E60-R62 PolarHBondContact O-N 3.08Å; E60-R62 IonicContact OE1-NH2 3.45Å; E60-R62 IonicContact OE2-CZ 3.46Å; E60-R62 VanDerWaalsContact OE2-CZ 3.31Å; E60-R62 IonicContact OE2-NE 2.81Å; E60-R62 PolarHBondContact OE2-NE 3.18Å; E60-R62 VanDerWaalsContact OE2-NE 3.14Å; E60-R62 IonicContact OE2-NH2 3.26Å; E60-R62 PolarHBondContact OE2-NH2 3.05Å; E60-Y63 HydrophobicContact CB-CD2 4.04Å; E60-Y63 HydrophobicContact CB-CE2 4.39Å; E60-Y63 PolarHBondContact O-N 3.29Å; E60-Y63 WeakPolarHBondContact OE2-CE2 3.44Å; E60-R239 IonicContact OE1-CZ 2.68Å; E60-R239 IonicContact OE1-NE 3.56Å; E60-R239 PolarHBondContact OE1-NE 3.19Å; E60-R239 IonicContact OE1-NH2 2.67Å; E60-R239 PolarHBondContact OE1-NH2 2.87Å; E60-R239 WeakPolarHBondContact OE2-CG 3.44Å; E60-R239 IonicContact OE2-CZ 3.68Å; E60-R239 IonicContact OE2-NE 3.24Å; E60-R239 PolarHBondContact OE2-NE 3.09Å; E60-R239 IonicContact OE2-NH2 3.74Å
61	K	97.6	Very high	95.9	Very high	182 Å²	182	47.4 Å²	47.4	79%	0.791	25%	0.248	S	C	*	.	H	α-helix	trans	-50.6	-32.6	-174.5	-62.9	179.5	-175.7	178.5	0	114.5	L59 Y63 I64 A65	L59-K61 PolarHBondContact O-N 3.02Å; K61-Y63 VanDerWaalsContact C-N 3.27Å; K61-Y63 PolarHBondContact O-N 3.42Å; K61-I64 WeakPolarHBondContact O-CB 3.44Å; K61-I64 PolarHBondContact O-N 3.29Å; K61-A65 WeakPolarHBondContact O-CB 3.44Å; K61-A65 PolarHBondContact O-N 2.88Å
62	R	98	Very high	96	Very high	36 Å²	36	50 Å²	50	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-31.5	177.7	65.4	-177.6	172.9	179.8	0.6	113.6	E60 S66 E109 R239	E60-R62 HydrophobicContact CB-CG 4.19Å; E60-R62 PolarHBondContact O-N 3.08Å; E60-R62 IonicContact OE1-NH2 3.45Å; E60-R62 IonicContact OE2-CZ 3.46Å; E60-R62 VanDerWaalsContact OE2-CZ 3.31Å; E60-R62 IonicContact OE2-NE 2.81Å; E60-R62 PolarHBondContact OE2-NE 3.18Å; E60-R62 VanDerWaalsContact OE2-NE 3.14Å; E60-R62 IonicContact OE2-NH2 3.26Å; E60-R62 PolarHBondContact OE2-NH2 3.05Å; R62-S66 PolarHBondContact O-N 2.9Å; R62-E109 VanDerWaalsContact NH1-C 3.32Å; R62-E109 PolarHBondContact NH1-O 3.47Å; R62-E109 PolarHBondContact NH2-O 3.44Å; R62-R239 VanDerWaalsContact NH2-CZ 3.33Å
63	Y	97.7	Very high	96.2	Very high	2 Å²	2	47 Å²	47	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-80.7	-32.2	176.5	-65.8	-71.4	0	0	0	112.5	E60 K61 A65 S66 Y67 C106 L236 R239	E60-Y63 HydrophobicContact CB-CD2 4.04Å; E60-Y63 HydrophobicContact CB-CE2 4.39Å; E60-Y63 PolarHBondContact O-N 3.29Å; E60-Y63 WeakPolarHBondContact OE2-CE2 3.44Å; K61-Y63 VanDerWaalsContact C-N 3.27Å; K61-Y63 PolarHBondContact O-N 3.42Å; Y63-A65 VanDerWaalsContact C-N 3.33Å; Y63-S66 VanDerWaalsContact CA-OG 3.28Å; Y63-S66 WeakPolarHBondContact CA-OG 3.4Å; Y63-S66 PolarHBondContact O-N 3.49Å; Y63-S66 PolarHBondContact O-OG 3.23Å; Y63-Y67 VanDerWaalsContact O-CD2 3.26Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.47Å; Y63-Y67 PolarHBondContact O-N 3.42Å; Y63-C106 HydrophobicContact CE1-CB 4.1Å; Y63-L236 HydrophobicContact CD1-CB 4.07Å; Y63-L236 HydrophobicContact CD1-CD1 4.03Å; Y63-L236 HydrophobicContact CD2-CD1 3.88Å; Y63-L236 HydrophobicContact CE1-CB 4.22Å; Y63-L236 HydrophobicContact CE1-CD1 4.38Å; Y63-L236 HydrophobicContact CE2-CD1 4.26Å; Y63-L236 HydrophobicContact CG-CD1 3.78Å; Y63-R239 HydrophobicContact CE2-CB 4.07Å; Y63-R239 HydrophobicContact CE2-CG 3.84Å; Y63-R239 WeakPolarHBondContact OH-CB 3.39Å
64	I	98.3	Very high	96.5	Very high	31 Å²	31	45.2 Å²	45.2	16%	0.159	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-47.1	169	-60.4	162.6	0	0	0	108.8	V55 K61 S66 Y67 L68	V55-I64 HydrophobicContact CG2-CD1 3.71Å; V55-I64 HydrophobicContact CG2-CG1 4.05Å; V55-I64 HydrophobicContact CG2-CG2 3.91Å; K61-I64 WeakPolarHBondContact O-CB 3.44Å; K61-I64 PolarHBondContact O-N 3.29Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-S66 PolarHBondContact O-N 2.7Å; I64-Y67 PolarHBondContact O-N 2.83Å; I64-L68 HydrophobicContact CG2-CD1 4.01Å; I64-L68 HydrophobicContact CG2-CG 4.5Å; I64-L68 WeakPolarHBondContact O-CG 3.19Å; I64-L68 PolarHBondContact O-N 3.23Å
65	A	98.6	Very high	96.8	Very high	38 Å²	38	49.2 Å²	49.2	31%	0.314	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-38.6	177.1	0	0	0	0	0	112.7	K61 Y63 Y67 L68 A69 I102	K61-A65 WeakPolarHBondContact O-CB 3.44Å; K61-A65 PolarHBondContact O-N 2.88Å; Y63-A65 VanDerWaalsContact C-N 3.33Å; A65-Y67 PolarHBondContact O-N 2.77Å; A65-L68 PolarHBondContact O-N 2.74Å; A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 3.02Å; A65-I102 HydrophobicContact CB-CG2 4.43Å
66	S	98.7	Very high	97	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-41.4	177.1	59.3	0	0	0	0	112.6	R62 Y63 I64 L70 F103	R62-S66 PolarHBondContact O-N 2.9Å; Y63-S66 VanDerWaalsContact CA-OG 3.28Å; Y63-S66 WeakPolarHBondContact CA-OG 3.4Å; Y63-S66 PolarHBondContact O-N 3.49Å; Y63-S66 PolarHBondContact O-OG 3.23Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-S66 PolarHBondContact O-N 2.7Å; S66-L70 PolarHBondContact O-N 3.18Å; S66-F103 WeakPolarHBondContact O-CE1 3.23Å
67	Y	98.6	Very high	97.3	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.02	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-46.8	176.4	-81.7	-58.5	0	0	0	112.1	P47 S54 Y63 I64 A65 A69 L70 T71 Y229 I232 L233	P47-Y67 HydrophobicContact CB-CD1 4.17Å; P47-Y67 WeakPolarHBondContact CB-O 3.47Å; P47-Y67 WeakPolarHBondContact O-CB 3.26Å; S54-Y67 WeakPolarHBondContact OG-CE2 3.34Å; Y63-Y67 VanDerWaalsContact O-CD2 3.26Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.47Å; Y63-Y67 PolarHBondContact O-N 3.42Å; I64-Y67 PolarHBondContact O-N 2.83Å; A65-Y67 PolarHBondContact O-N 2.77Å; Y67-A69 VanDerWaalsContact C-N 3.31Å; Y67-A69 PolarHBondContact O-N 2.65Å; Y67-L70 PolarHBondContact O-N 3.1Å; Y67-T71 PolarHBondContact O-N 3.43Å; Y67-T71 VanDerWaalsContact O-N 3.07Å; Y67-T71 PolarHBondContact O-OG1 3.47Å; Y67-Y229 HydrophobicContact CD1-CD2 4.34Å; Y67-Y229 HydrophobicContact CD1-CE2 4.26Å; Y67-Y229 AromaticContact CE1-CD2 3.74Å; Y67-Y229 HydrophobicContact CE1-CD2 3.74Å; Y67-Y229 AromaticContact CE1-CE2 3.47Å; Y67-Y229 HydrophobicContact CE1-CE2 3.47Å; Y67-Y229 VanDerWaalsContact CE1-CE2 3.47Å; Y67-I232 HydrophobicContact CD1-CD1 3.93Å; Y67-I232 HydrophobicContact CD1-CG2 3.96Å; Y67-I232 HydrophobicContact CD2-CG2 4.08Å; Y67-I232 HydrophobicContact CE1-CB 4.07Å; Y67-I232 HydrophobicContact CE1-CD1 4.21Å; Y67-I232 HydrophobicContact CE1-CG2 3.55Å; Y67-I232 HydrophobicContact CE2-CG2 3.69Å; Y67-I232 HydrophobicContact CG-CG2 4.2Å; Y67-I232 VanDerWaalsContact CZ-CG2 3.41Å; Y67-L233 VanDerWaalsContact OH-CD2 3.26Å; Y67-L233 WeakPolarHBondContact OH-CD2 2.98Å
68	L	98.8	Very high	97.8	Very high	73 Å²	73	36.1 Å²	36.1	38%	0.382	20%	0.196	S	C	.	.	H	α-helix	trans	-62.6	-38.1	177.4	-67.6	175	0	0	0	112	M48 A51 I64 A65 L70 T71 V72	M48-L68 HydrophobicContact CE-CD2 4.44Å; M48-L68 HydrophobicContact SD-CD2 3.8Å; A51-L68 HydrophobicContact CB-CD2 3.74Å; A51-L68 HydrophobicContact CB-CG 3.93Å; I64-L68 HydrophobicContact CG2-CD1 4.01Å; I64-L68 HydrophobicContact CG2-CG 4.5Å; I64-L68 WeakPolarHBondContact O-CG 3.19Å; I64-L68 PolarHBondContact O-N 3.23Å; A65-L68 PolarHBondContact O-N 2.74Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 2.67Å; L68-T71 WeakPolarHBondContact O-CB 3.49Å; L68-T71 PolarHBondContact O-N 3.24Å; L68-V72 WeakPolarHBondContact O-CG2 3.36Å; L68-V72 PolarHBondContact O-N 3.36Å
69	A	98.8	Very high	98.2	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-39.9	177.8	0	0	0	0	0	111.8	A65 Y67 T71 V72 V73 I102	A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 3.02Å; Y67-A69 VanDerWaalsContact C-N 3.31Å; Y67-A69 PolarHBondContact O-N 2.65Å; A69-T71 VanDerWaalsContact C-N 3.34Å; A69-V72 PolarHBondContact O-N 3.16Å; A69-V73 WeakPolarHBondContact O-CG2 3.32Å; A69-V73 PolarHBondContact O-N 3.2Å; A69-I102 HydrophobicContact CB-CD1 3.83Å
70	L	98.8	Very high	98.4	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-37.2	173.3	-175.4	58.1	0	0	0	111.9	M43 P47 S66 Y67 L68 V72 V73 G74 F103 I232	M43-L70 HydrophobicContact CG-CD1 4.47Å; M43-L70 HydrophobicContact SD-CD1 4.45Å; P47-L70 HydrophobicContact CB-CB 4.2Å; P47-L70 HydrophobicContact CB-CD2 4.18Å; P47-L70 HydrophobicContact CB-CG 4.26Å; P47-L70 HydrophobicContact CG-CB 4.32Å; P47-L70 HydrophobicContact CG-CD2 3.56Å; P47-L70 HydrophobicContact CG-CG 3.83Å; S66-L70 PolarHBondContact O-N 3.18Å; Y67-L70 PolarHBondContact O-N 3.1Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 2.67Å; L70-V72 VanDerWaalsContact C-N 3.34Å; L70-V73 PolarHBondContact O-N 3.09Å; L70-G74 PolarHBondContact O-N 3.14Å; L70-F103 HydrophobicContact CB-CZ 4.42Å; L70-I232 HydrophobicContact CB-CD1 4.19Å; L70-I232 HydrophobicContact CD2-CD1 3.86Å
71	T	98.8	Very high	98.6	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-43.4	171.3	-56.4	0	0	0	0	111.9	M43 I44 M48 Y67 L68 A69 V73 G74 M75	M43-T71 WeakPolarHBondContact O-CA 3.2Å; I44-T71 HydrophobicContact CG2-CG2 4.19Å; M48-T71 HydrophobicContact CG-CG2 3.42Å; M48-T71 VanDerWaalsContact CG-CG2 3.42Å; M48-T71 WeakPolarHBondContact CG-OG1 3.39Å; M48-T71 PolarHBondContact N-OG1 2.93Å; M48-T71 HydrophobicContact SD-CG2 3.57Å; M48-T71 VanDerWaalsContact SD-CG2 3.57Å; Y67-T71 PolarHBondContact O-N 3.43Å; Y67-T71 VanDerWaalsContact O-N 3.07Å; Y67-T71 PolarHBondContact O-OG1 3.47Å; L68-T71 WeakPolarHBondContact O-CB 3.49Å; L68-T71 PolarHBondContact O-N 3.24Å; A69-T71 VanDerWaalsContact C-N 3.34Å; T71-V73 VanDerWaalsContact C-N 3.33Å; T71-V73 PolarHBondContact O-N 2.84Å; T71-G74 PolarHBondContact O-N 3.32Å; T71-M75 HydrophobicContact CG2-CE 4.01Å; T71-M75 HydrophobicContact CG2-CG 4.2Å; T71-M75 HydrophobicContact CG2-SD 4.12Å; T71-M75 WeakPolarHBondContact O-CG 3.4Å; T71-M75 PolarHBondContact O-N 3.07Å
72	V	98.8	Very high	98.6	Very high	60 Å²	60	23.8 Å²	23.8	36%	0.364	13%	0.127	S	C	.	.	H	α-helix	trans	-62	-41.2	178.1	173.6	0	0	0	0	111.1	L68 A69 L70 M75 G76 P95	L68-V72 WeakPolarHBondContact O-CG2 3.36Å; L68-V72 PolarHBondContact O-N 3.36Å; A69-V72 PolarHBondContact O-N 3.16Å; L70-V72 VanDerWaalsContact C-N 3.34Å; V72-M75 HydrophobicContact CG2-CE 4.06Å; V72-M75 PolarHBondContact O-N 3.34Å; V72-G76 PolarHBondContact O-N 3.42Å; V72-P95 HydrophobicContact CG1-CB 3.9Å; V72-P95 HydrophobicContact CG1-CG 3.89Å
73	V	98.8	Very high	98.6	Very high	11 Å²	11	22.5 Å²	22.5	7%	0.067	12%	0.123	C	C	.	.	H	α-helix	trans	-57.2	-50.6	171.5	173.6	0	0	0	0	110.6	M43 A69 L70 T71 M75 G76 S77 P95 M96	M43-V73 HydrophobicContact SD-CG1 4.48Å; A69-V73 WeakPolarHBondContact O-CG2 3.32Å; A69-V73 PolarHBondContact O-N 3.2Å; L70-V73 PolarHBondContact O-N 3.09Å; T71-V73 VanDerWaalsContact C-N 3.33Å; T71-V73 PolarHBondContact O-N 2.84Å; V73-M75 PolarHBondContact O-N 3.43Å; V73-G76 PolarHBondContact O-N 3.3Å; V73-S77 WeakPolarHBondContact O-CB 3.47Å; V73-S77 PolarHBondContact O-N 3.21Å; V73-P95 HydrophobicContact CG2-CB 3.83Å; V73-P95 WeakPolarHBondContact CG2-O 3.48Å; V73-M96 HydrophobicContact CG1-CG 3.93Å; V73-M96 HydrophobicContact CG2-CG 4.32Å
74	G	98.8	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-40.5	179.2	0	0	0	0	0	113.9	L70 T71 W78	L70-G74 PolarHBondContact O-N 3.14Å; T71-G74 PolarHBondContact O-N 3.32Å; G74-W78 VanDerWaalsContact O-CB 3.32Å; G74-W78 WeakPolarHBondContact O-CB 3.5Å; G74-W78 PolarHBondContact O-N 2.92Å
75	M	98.9	Very high	98.7	Very high	88 Å²	88	22.6 Å²	22.6	43%	0.433	12%	0.123	S	C	.	.	H	α-helix	trans	-69.4	-39.7	176.5	-68.5	-174.3	-56.7	0	0	112	I44 T71 V72 V73 W78 C79	I44-M75 HydrophobicContact CD1-CG 4.16Å; I44-M75 HydrophobicContact CG1-CG 4.04Å; I44-M75 HydrophobicContact CG2-CG 4.42Å; T71-M75 HydrophobicContact CG2-CE 4.01Å; T71-M75 HydrophobicContact CG2-CG 4.2Å; T71-M75 HydrophobicContact CG2-SD 4.12Å; T71-M75 WeakPolarHBondContact O-CG 3.4Å; T71-M75 PolarHBondContact O-N 3.07Å; V72-M75 HydrophobicContact CG2-CE 4.06Å; V72-M75 PolarHBondContact O-N 3.34Å; V73-M75 PolarHBondContact O-N 3.43Å; M75-W78 PolarHBondContact O-N 3.39Å; M75-C79 PolarHBondContact O-N 3.26Å; M75-C79 PolarHBondContact O-SG 3.46Å; M75-C79 VanDerWaalsContact O-SG 3.34Å
76	G	98.8	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.4	-52.6	174.3	0	0	0	0	0	111.6	V72 V73 W78 C79 F80 L91	V72-G76 PolarHBondContact O-N 3.42Å; V73-G76 PolarHBondContact O-N 3.3Å; G76-W78 VanDerWaalsContact C-N 3.33Å; G76-W78 PolarHBondContact O-N 2.89Å; G76-C79 PolarHBondContact O-N 3.12Å; G76-C79 VanDerWaalsContact O-N 3.15Å; G76-F80 PolarHBondContact O-N 3.34Å; G76-L91 WeakPolarHBondContact CA-O 3.32Å
77	S	98.8	Very high	98.6	Very high	2 Å²	2	28 Å²	28	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-57.1	-44.6	175	-170.3	0	0	0	0	111.9	N40 V73 C79 F80 H81 D92	N40-S77 VanDerWaalsContact CG-OG 3.31Å; N40-S77 WeakPolarHBondContact ND2-CB 3.46Å; N40-S77 PolarHBondContact ND2-OG 2.85Å; N40-S77 WeakPolarHBondContact OD1-CB 3.48Å; N40-S77 PolarHBondContact OD1-OG 3.44Å; V73-S77 WeakPolarHBondContact O-CB 3.47Å; V73-S77 PolarHBondContact O-N 3.21Å; S77-C79 VanDerWaalsContact C-N 3.34Å; S77-C79 PolarHBondContact O-N 3.43Å; S77-F80 PolarHBondContact O-N 2.91Å; S77-F80 VanDerWaalsContact O-N 3.17Å; S77-H81 PolarHBondContact O-CD2 3.1Å; S77-H81 PolarHBondContact O-N 3.41Å; S77-H81 PolarHBondContact OG-CD2 3.43Å; S77-H81 PolarHBondContact OG-NE2 2.89Å; S77-D92 VanDerWaalsContact CA-CG 3.41Å; S77-D92 WeakPolarHBondContact CA-OD1 3.48Å; S77-D92 WeakPolarHBondContact CB-OD1 3.28Å; S77-D92 PolarHBondContact N-OD1 3.42Å
78	W	98.8	Very high	98.6	Very high	83 Å²	83	30.9 Å²	30.9	31%	0.314	16%	0.155	S	C	.	.	H	α-helix	trans	-57.6	-45.9	175.8	-169.1	90.9	0	0	0	112.1	T37 N40 I44 G74 M75 G76 M82	T37-W78 VanDerWaalsContact CG2-CD1 3.47Å; T37-W78 HydrophobicContact CG2-CD2 4.06Å; T37-W78 HydrophobicContact CG2-CG 3.88Å; T37-W78 HydrophobicContact CG2-CZ2 4.46Å; N40-W78 HydrophobicContact CB-CB 4.18Å; N40-W78 PolarHBondContact ND2-N 3.12Å; I44-W78 HydrophobicContact CD1-CB 4.25Å; G74-W78 VanDerWaalsContact O-CB 3.32Å; G74-W78 WeakPolarHBondContact O-CB 3.5Å; G74-W78 PolarHBondContact O-N 2.92Å; M75-W78 PolarHBondContact O-N 3.39Å; G76-W78 VanDerWaalsContact C-N 3.33Å; G76-W78 PolarHBondContact O-N 2.89Å; W78-M82 HydrophobicContact CE3-CE 4.32Å; W78-M82 HydrophobicContact CE3-SD 4.38Å; W78-M82 HydrophobicContact CH2-CE 4.2Å; W78-M82 HydrophobicContact CH2-SD 3.56Å; W78-M82 VanDerWaalsContact CH2-SD 3.56Å; W78-M82 HydrophobicContact CZ2-SD 4.3Å; W78-M82 HydrophobicContact CZ3-CE 3.66Å; W78-M82 HydrophobicContact CZ3-SD 3.62Å; W78-M82 WeakPolarHBondContact O-CB 3.44Å; W78-M82 PolarHBondContact O-N 3.4Å; W78-M82 VanDerWaalsContact O-N 3.16Å
79	C	98.8	Very high	98.6	Very high	32 Å²	32	27.4 Å²	27.4	22%	0.216	14%	0.137	C	C	.	.	H	α-helix	trans	-66.4	-38.3	176.4	-70.5	0	0	0	0	112.6	M75 G76 S77 T83 M88	M75-C79 PolarHBondContact O-N 3.26Å; M75-C79 PolarHBondContact O-SG 3.46Å; M75-C79 VanDerWaalsContact O-SG 3.34Å; G76-C79 PolarHBondContact O-N 3.12Å; G76-C79 VanDerWaalsContact O-N 3.15Å; S77-C79 VanDerWaalsContact C-N 3.34Å; S77-C79 PolarHBondContact O-N 3.43Å; C79-T83 WeakPolarHBondContact O-CB 3.49Å; C79-T83 WeakPolarHBondContact O-CG2 3.39Å; C79-T83 PolarHBondContact O-N 2.96Å; C79-T83 PolarHBondContact O-OG1 3.21Å; C79-M88 HydrophobicContact CB-CB 4.3Å; C79-M88 HydrophobicContact CB-CG 4.24Å; C79-M88 HydrophobicContact CB-SD 3.78Å
80	F	98.8	Very high	98.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-57.6	179	171.1	-134	0	0	0	111.4	L18 W20 G76 S77 M82 T83 L84 M88 Q89 D92	L18-F80 HydrophobicContact CG-CZ 4.49Å; W20-F80 HydrophobicContact CZ2-CE1 4.31Å; W20-F80 AromaticContact NE1-CE1 3.25Å; W20-F80 AromaticContact NE1-CZ 3.69Å; G76-F80 PolarHBondContact O-N 3.34Å; S77-F80 PolarHBondContact O-N 2.91Å; S77-F80 VanDerWaalsContact O-N 3.17Å; F80-M82 PolarHBondContact O-N 3.19Å; F80-T83 PolarHBondContact O-N 3.39Å; F80-L84 HydrophobicContact CE2-CD2 4.04Å; F80-L84 HydrophobicContact CZ-CD2 4.3Å; F80-L84 WeakPolarHBondContact O-CA 3.24Å; F80-L84 PolarHBondContact O-N 2.91Å; F80-M88 HydrophobicContact CB-CB 4.34Å; F80-Q89 HydrophobicContact CD2-CB 3.71Å; F80-Q89 HydrophobicContact CD2-CG 4.23Å; F80-Q89 HydrophobicContact CE1-CG 4.41Å; F80-Q89 HydrophobicContact CE2-CB 3.74Å; F80-Q89 HydrophobicContact CE2-CG 3.9Å; F80-Q89 HydrophobicContact CG-CB 4.34Å; F80-Q89 HydrophobicContact CZ-CB 4.34Å; F80-Q89 HydrophobicContact CZ-CG 4Å; F80-D92 HydrophobicContact CB-CB 3.93Å; F80-D92 HydrophobicContact CD1-CB 4.25Å; F80-D92 WeakPolarHBondContact CD1-OD2 3.24Å; F80-D92 HydrophobicContact CG-CB 4.38Å
81	H	98.6	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-23.4	-178.6	-68.1	-73.4	0	0	0	113.5	W20 E33 N36 T37 S77 H217 H221	W20-H81 AromaticContact CD1-CE1 3.35Å; W20-H81 AromaticContact CD1-ND1 3.56Å; W20-H81 AromaticContact CE2-CE1 3.91Å; W20-H81 AromaticContact NE1-CE1 3.14Å; W20-H81 PolarHBondContact NE1-CE1 3.42Å; W20-H81 AromaticContact NE1-ND1 3.71Å; E33-H81 HydrophobicContact CB-CB 4.35Å; E33-H81 PolarHBondContact N-O 3.34Å; E33-H81 IonicContact OE2-CE1 3.86Å; E33-H81 IonicContact OE2-CG 2.73Å; E33-H81 IonicContact OE2-ND1 3.31Å; E33-H81 PolarHBondContact OE2-ND1 3Å; N36-H81 HydrophobicContact CB-CB 4.05Å; N36-H81 WeakPolarHBondContact CB-ND1 3.28Å; T37-H81 VanDerWaalsContact OG1-CB 3.28Å; T37-H81 WeakPolarHBondContact OG1-CB 3.15Å; T37-H81 PolarHBondContact OG1-O 3.15Å; S77-H81 PolarHBondContact O-CD2 3.1Å; S77-H81 PolarHBondContact O-N 3.41Å; S77-H81 PolarHBondContact OG-CD2 3.43Å; S77-H81 PolarHBondContact OG-NE2 2.89Å; H81-H217 AromaticContact CE1-CD2 3.61Å; H81-H217 AromaticContact CE1-NE2 3.49Å; H81-H217 PolarHBondContact CE1-NE2 3.34Å; H81-H217 AromaticContact NE2-NE2 3.79Å; H81-H221 AromaticContact CD2-CE1 3.6Å; H81-H221 AromaticContact CE1-CE1 3.73Å; H81-H221 AromaticContact NE2-CE1 3.12Å; H81-H221 PolarHBondContact NE2-CE1 3.49Å; H81-H221 AromaticContact NE2-NE2 3.33Å; H81-H221 PolarHBondContact NE2-NE2 2.98Å
82	M	98.5	Very high	98.5	Very high	14 Å²	14	32.3 Å²	32.3	7%	0.069	16%	0.16	C	C	.	.	H	α-helix	trans	-71	-34.7	173.1	-179.6	177.9	67.8	0	0	112.5	W11 Y30 I31 A32 T37 W78 F80	W11-M82 HydrophobicContact CZ2-CE 3.96Å; Y30-M82 HydrophobicContact CE1-SD 4.2Å; I31-M82 HydrophobicContact CB-CG 4.46Å; I31-M82 HydrophobicContact CG1-CG 4.24Å; I31-M82 HydrophobicContact CG2-CB 4.32Å; I31-M82 HydrophobicContact CG2-CG 4.31Å; A32-M82 PolarHBondContact N-O 2.96Å; A32-M82 VanDerWaalsContact N-O 3.14Å; T37-M82 HydrophobicContact CG2-CB 4.19Å; T37-M82 PolarHBondContact OG1-N 3.46Å; W78-M82 HydrophobicContact CE3-CE 4.32Å; W78-M82 HydrophobicContact CE3-SD 4.38Å; W78-M82 HydrophobicContact CH2-CE 4.2Å; W78-M82 HydrophobicContact CH2-SD 3.56Å; W78-M82 VanDerWaalsContact CH2-SD 3.56Å; W78-M82 HydrophobicContact CZ2-SD 4.3Å; W78-M82 HydrophobicContact CZ3-CE 3.66Å; W78-M82 HydrophobicContact CZ3-SD 3.62Å; W78-M82 WeakPolarHBondContact O-CB 3.44Å; W78-M82 PolarHBondContact O-N 3.4Å; W78-M82 VanDerWaalsContact O-N 3.16Å; F80-M82 PolarHBondContact O-N 3.19Å
83	T	98.3	Very high	98.5	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.055	15%	0.145	C	C	.	.	H	α-helix	trans	-117.9	-26.1	-164.6	64.6	0	0	0	0	115	W11 C79 F80 K85 M88	W11-T83 HydrophobicContact CD2-CG2 3.86Å; W11-T83 HydrophobicContact CE3-CG2 4.36Å; W11-T83 HydrophobicContact CG-CG2 3.91Å; C79-T83 WeakPolarHBondContact O-CB 3.49Å; C79-T83 WeakPolarHBondContact O-CG2 3.39Å; C79-T83 PolarHBondContact O-N 2.96Å; C79-T83 PolarHBondContact O-OG1 3.21Å; F80-T83 PolarHBondContact O-N 3.39Å; T83-K85 VanDerWaalsContact C-N 3.25Å; T83-K85 WeakPolarHBondContact O-CE 3.36Å; T83-K85 WeakPolarHBondContact O-CG 3.38Å; T83-K85 PolarHBondContact O-N 2.85Å; T83-M88 WeakPolarHBondContact OG1-CG 3.46Å
84	L	98.3	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.			trans	49.9	43.3	-174.3	-63.9	172.2	0	0	0	113.2	T14 T15 S16 D19 N24 A32 E33 F80	T14-L84 HydrophobicContact CG2-CB 3.77Å; T14-L84 HydrophobicContact CG2-CD1 3.69Å; T14-L84 HydrophobicContact CG2-CG 4.41Å; T15-L84 PolarHBondContact N-O 3.18Å; S16-L84 PolarHBondContact N-O 3.05Å; S16-L84 PolarHBondContact OG-O 3.03Å; D19-L84 WeakPolarHBondContact OD1-CD1 3.41Å; N24-L84 VanDerWaalsContact OD1-CD1 3.25Å; N24-L84 WeakPolarHBondContact OD1-CD1 3.48Å; A32-L84 HydrophobicContact CB-CD1 3.65Å; A32-L84 HydrophobicContact CB-CG 3.96Å; E33-L84 HydrophobicContact CG-CD1 4.36Å; F80-L84 HydrophobicContact CE2-CD2 4.04Å; F80-L84 HydrophobicContact CZ-CD2 4.3Å; F80-L84 WeakPolarHBondContact O-CA 3.24Å; F80-L84 PolarHBondContact O-N 2.91Å
85	K	98.3	Very high	98.5	Very high	35 Å²	35	30.8 Å²	30.8	15%	0.152	15%	0.15	C	C	.	.			trans	-105.6	143.7	177.7	-55.4	-58.6	178	172.9	0	111.5	W11 P13 T15 T83 E87 M88 Q89	W11-K85 WeakPolarHBondContact O-CE 3.37Å; W11-K85 PolarHBondContact O-NZ 2.86Å; P13-K85 PolarHBondContact O-NZ 3.47Å; T15-K85 HydrophobicContact CG2-CD 4.49Å; T15-K85 WeakPolarHBondContact OG1-CA 3.37Å; T15-K85 WeakPolarHBondContact OG1-CD 3.34Å; T83-K85 VanDerWaalsContact C-N 3.25Å; T83-K85 WeakPolarHBondContact O-CE 3.36Å; T83-K85 WeakPolarHBondContact O-CG 3.38Å; T83-K85 PolarHBondContact O-N 2.85Å; K85-E87 PolarHBondContact O-N 3.1Å; K85-M88 PolarHBondContact O-N 3.44Å; K85-M88 VanDerWaalsContact O-N 3.08Å; K85-Q89 PolarHBondContact O-N 2.86Å
86	Y	97.9	Very high	98.5	Very high	29 Å²	29	27.9 Å²	27.9	11%	0.114	14%	0.136	C	C	.	.	H	α-helix	trans	-56.4	-38.6	177.4	-175.3	-108.1	0	0	0	112.7	T15 T17 M88 Q89 L90 K140	T15-Y86 PolarHBondContact OG1-N 3.25Å; T17-Y86 HydrophobicContact CG2-CD2 4Å; T17-Y86 HydrophobicContact CG2-CE2 3.95Å; Y86-M88 VanDerWaalsContact C-N 3.3Å; Y86-M88 PolarHBondContact O-N 2.8Å; Y86-Q89 WeakPolarHBondContact O-CB 3.48Å; Y86-Q89 PolarHBondContact O-N 3.49Å; Y86-L90 HydrophobicContact CD1-CD1 4.18Å; Y86-L90 HydrophobicContact CE1-CD1 3.7Å; Y86-L90 HydrophobicContact CE1-CD2 4.42Å; Y86-L90 HydrophobicContact CE1-CG 4.13Å; Y86-L90 HydrophobicContact CE2-CD2 4.49Å; Y86-L90 WeakPolarHBondContact O-CG 3.26Å; Y86-L90 PolarHBondContact O-N 3.47Å; Y86-K140 HydrophobicContact CE1-CD 4.38Å; Y86-K140 HydrophobicContact CE2-CD 4Å; Y86-K140 HydrophobicContact CE2-CG 4.39Å; Y86-K140 WeakPolarHBondContact OH-CE 3.5Å; Y86-K140 WeakPolarHBondContact OH-CG 3.42Å
87	E	98.1	Very high	98.5	Very high	124 Å²	124	27.9 Å²	27.9	58%	0.579	14%	0.136	S	C	*	.	H	α-helix	trans	-62.3	-38.9	178.7	-63.6	74.8	-165.6	0	0	112	K85 L91	K85-E87 PolarHBondContact O-N 3.1Å; E87-L91 PolarHBondContact O-N 3.26Å
88	M	98.4	Very high	98.5	Very high	67 Å²	67	31.7 Å²	31.7	33%	0.33	15%	0.15	S	C	.	.	H	α-helix	trans	-81.9	-29.9	178.8	-61.8	-60.3	154.2	0	0	111.8	C79 F80 T83 K85 Y86 L90 L91 D92	C79-M88 HydrophobicContact CB-CB 4.3Å; C79-M88 HydrophobicContact CB-CG 4.24Å; C79-M88 HydrophobicContact CB-SD 3.78Å; F80-M88 HydrophobicContact CB-CB 4.34Å; T83-M88 WeakPolarHBondContact OG1-CG 3.46Å; K85-M88 PolarHBondContact O-N 3.44Å; K85-M88 VanDerWaalsContact O-N 3.08Å; Y86-M88 VanDerWaalsContact C-N 3.3Å; Y86-M88 PolarHBondContact O-N 2.8Å; M88-L90 VanDerWaalsContact C-N 3.29Å; M88-L90 PolarHBondContact O-N 2.85Å; M88-L91 CarbonylContact O-C 3.51Å; M88-L91 WeakPolarHBondContact O-CA 3.38Å; M88-L91 WeakPolarHBondContact O-CB 3.46Å; M88-L91 PolarHBondContact O-N 3.28Å; M88-L91 HydrophobicContact SD-CD2 4.1Å; M88-D92 PolarHBondContact O-N 3.27Å
89	Q	98.4	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-43	170.1	-171.7	-167.8	-36.6	0	0	111.2	T17 L18 F80 K85 Y86 L91 D92 E93 Y136	T17-Q89 PolarHBondContact OG1-NE2 3.24Å; T17-Q89 PolarHBondContact OG1-OE1 3.18Å; L18-Q89 HydrophobicContact CD2-CG 4.47Å; L18-Q89 VanDerWaalsContact CD2-NE2 3.31Å; F80-Q89 HydrophobicContact CD2-CB 3.71Å; F80-Q89 HydrophobicContact CD2-CG 4.23Å; F80-Q89 HydrophobicContact CE1-CG 4.41Å; F80-Q89 HydrophobicContact CE2-CB 3.74Å; F80-Q89 HydrophobicContact CE2-CG 3.9Å; F80-Q89 HydrophobicContact CG-CB 4.34Å; F80-Q89 HydrophobicContact CZ-CB 4.34Å; F80-Q89 HydrophobicContact CZ-CG 4Å; K85-Q89 PolarHBondContact O-N 2.86Å; Y86-Q89 WeakPolarHBondContact O-CB 3.48Å; Y86-Q89 PolarHBondContact O-N 3.49Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 PolarHBondContact O-N 3.48Å; Q89-D92 PolarHBondContact O-N 3.42Å; Q89-D92 VanDerWaalsContact O-N 3.14Å; Q89-E93 HydrophobicContact CG-CG 4.44Å; Q89-E93 WeakPolarHBondContact CG-OE2 3.37Å; Q89-E93 PolarHBondContact NE2-OE2 3.38Å; Q89-E93 PolarHBondContact O-N 2.85Å; Q89-Y136 PolarHBondContact NE2-OH 3.25Å
90	L	98.4	Very high	98.5	Very high	31 Å²	31	26.7 Å²	26.7	16%	0.162	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-36.8	173.7	-67.6	174.4	0	0	0	112.4	Y86 M88 D92 L94 Y136 L137	Y86-L90 HydrophobicContact CD1-CD1 4.18Å; Y86-L90 HydrophobicContact CE1-CD1 3.7Å; Y86-L90 HydrophobicContact CE1-CD2 4.42Å; Y86-L90 HydrophobicContact CE1-CG 4.13Å; Y86-L90 HydrophobicContact CE2-CD2 4.49Å; Y86-L90 WeakPolarHBondContact O-CG 3.26Å; Y86-L90 PolarHBondContact O-N 3.47Å; M88-L90 VanDerWaalsContact C-N 3.29Å; M88-L90 PolarHBondContact O-N 2.85Å; L90-D92 VanDerWaalsContact C-N 3.25Å; L90-D92 PolarHBondContact O-N 3.15Å; L90-L94 HydrophobicContact CB-CD1 4.23Å; L90-L94 HydrophobicContact CD2-CD1 4.12Å; L90-L94 HydrophobicContact CD2-CG 4.45Å; L90-L94 VanDerWaalsContact O-CB 3.28Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 3.07Å; L90-L94 VanDerWaalsContact O-N 3.14Å; L90-Y136 HydrophobicContact CD2-CD1 4.11Å; L90-Y136 HydrophobicContact CD2-CE1 4.06Å; L90-L137 HydrophobicContact CD1-CD2 3.57Å; L90-L137 HydrophobicContact CD2-CD2 3.69Å; L90-L137 HydrophobicContact CG-CD2 4.28Å
91	L	98.3	Very high	98.5	Very high	80 Å²	80	27.1 Å²	27.1	42%	0.419	13%	0.131	S	C	.	.	H	α-helix	trans	-70.5	-21.2	177.7	-167.2	65.4	0	0	0	112.7	G76 E87 M88 Q89 P95	G76-L91 WeakPolarHBondContact CA-O 3.32Å; E87-L91 PolarHBondContact O-N 3.26Å; M88-L91 CarbonylContact O-C 3.51Å; M88-L91 WeakPolarHBondContact O-CA 3.38Å; M88-L91 WeakPolarHBondContact O-CB 3.46Å; M88-L91 PolarHBondContact O-N 3.28Å; M88-L91 HydrophobicContact SD-CD2 4.1Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 PolarHBondContact O-N 3.48Å; L91-P95 VanDerWaalsContact O-CD 3.24Å; L91-P95 WeakPolarHBondContact O-CD 3.46Å; L91-P95 WeakPolarHBondContact O-CG 3.46Å
92	D	98.4	Very high	98.5	Very high	13 Å²	13	29.7 Å²	29.7	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-84.5	-58.9	171.9	-177.3	24.8	0	0	0	111.5	S77 F80 M88 Q89 L90 P95 M96	S77-D92 VanDerWaalsContact CA-CG 3.41Å; S77-D92 WeakPolarHBondContact CA-OD1 3.48Å; S77-D92 WeakPolarHBondContact CB-OD1 3.28Å; S77-D92 PolarHBondContact N-OD1 3.42Å; F80-D92 HydrophobicContact CB-CB 3.93Å; F80-D92 HydrophobicContact CD1-CB 4.25Å; F80-D92 WeakPolarHBondContact CD1-OD2 3.24Å; F80-D92 HydrophobicContact CG-CB 4.38Å; M88-D92 PolarHBondContact O-N 3.27Å; Q89-D92 PolarHBondContact O-N 3.42Å; Q89-D92 VanDerWaalsContact O-N 3.14Å; L90-D92 VanDerWaalsContact C-N 3.25Å; L90-D92 PolarHBondContact O-N 3.15Å; D92-P95 WeakPolarHBondContact O-CD 3.46Å; D92-M96 WeakPolarHBondContact O-CG 3.35Å
93	E	98.2	Very high	98.5	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-72.4	-41.1	-167.7	-71	179.8	136	0	0	113.1	Q89 M96 Y136 H145	Q89-E93 HydrophobicContact CG-CG 4.44Å; Q89-E93 WeakPolarHBondContact CG-OE2 3.37Å; Q89-E93 PolarHBondContact NE2-OE2 3.38Å; Q89-E93 PolarHBondContact O-N 2.85Å; E93-M96 WeakPolarHBondContact O-CB 3.41Å; E93-M96 PolarHBondContact O-N 2.68Å; E93-Y136 HydrophobicContact CB-CE1 4.4Å; E93-Y136 VanDerWaalsContact CD-OH 3.26Å; E93-Y136 PolarHBondContact OE1-OH 2.94Å; E93-Y136 VanDerWaalsContact OE2-CE1 3.32Å; E93-Y136 WeakPolarHBondContact OE2-CE1 3.43Å; E93-Y136 VanDerWaalsContact OE2-CZ 3.24Å; E93-Y136 PolarHBondContact OE2-OH 2.83Å; E93-H145 PolarHBondContact O-NE2 3.14Å
94	L	98.6	Very high	98.5	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.089	14%	0.143	C	C	.	.	H	α-helix	trans	-67.6	-43.2	-177	-65.9	175.6	0	0	0	112.6	L90 M96 I97 Y98 T133 Y136	L90-L94 HydrophobicContact CB-CD1 4.23Å; L90-L94 HydrophobicContact CD2-CD1 4.12Å; L90-L94 HydrophobicContact CD2-CG 4.45Å; L90-L94 VanDerWaalsContact O-CB 3.28Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 3.07Å; L90-L94 VanDerWaalsContact O-N 3.14Å; L94-M96 PolarHBondContact O-N 3.09Å; L94-I97 WeakPolarHBondContact O-CB 3.16Å; L94-I97 PolarHBondContact O-N 3.45Å; L94-Y98 HydrophobicContact CB-CE2 3.78Å; L94-Y98 WeakPolarHBondContact O-CD2 3.4Å; L94-Y98 PolarHBondContact O-N 3.43Å; L94-T133 HydrophobicContact CD1-CG2 3.93Å; L94-T133 HydrophobicContact CD2-CG2 4.1Å; L94-Y136 HydrophobicContact CD2-CD1 3.93Å
95	P	98.8	Very high	98.6	Very high	13 Å²	13	30.8 Å²	30.8	8%	0.084	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-24	172.3	-32.2	42.6	0	0	0	115.4	V72 V73 L91 D92 I97 Y98 S99	V72-P95 HydrophobicContact CG1-CB 3.9Å; V72-P95 HydrophobicContact CG1-CG 3.89Å; V73-P95 HydrophobicContact CG2-CB 3.83Å; V73-P95 WeakPolarHBondContact CG2-O 3.48Å; L91-P95 VanDerWaalsContact O-CD 3.24Å; L91-P95 WeakPolarHBondContact O-CD 3.46Å; L91-P95 WeakPolarHBondContact O-CG 3.46Å; D92-P95 WeakPolarHBondContact O-CD 3.46Å; P95-I97 VanDerWaalsContact C-N 3.31Å; P95-I97 PolarHBondContact O-N 3.05Å; P95-Y98 PolarHBondContact O-N 3.39Å; P95-S99 VanDerWaalsContact O-CB 3.24Å; P95-S99 WeakPolarHBondContact O-CB 3.49Å; P95-S99 PolarHBondContact O-N 3.26Å; P95-S99 PolarHBondContact O-OG 3.45Å
96	M	98.8	Very high	98.6	Very high	28 Å²	28	29.2 Å²	29.2	14%	0.138	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-41	172	-61.3	173.3	62.7	0	0	111.3	V73 D92 E93 L94 S99 C100 Y149	V73-M96 HydrophobicContact CG1-CG 3.93Å; V73-M96 HydrophobicContact CG2-CG 4.32Å; D92-M96 WeakPolarHBondContact O-CG 3.35Å; E93-M96 WeakPolarHBondContact O-CB 3.41Å; E93-M96 PolarHBondContact O-N 2.68Å; L94-M96 PolarHBondContact O-N 3.09Å; M96-S99 PolarHBondContact O-OG 3.03Å; M96-C100 VanDerWaalsContact O-CB 3.28Å; M96-C100 WeakPolarHBondContact O-CB 3.26Å; M96-C100 PolarHBondContact O-N 3.14Å; M96-C100 VanDerWaalsContact O-N 3.14Å; M96-Y149 HydrophobicContact CB-CD2 4Å; M96-Y149 HydrophobicContact CB-CE2 3.93Å; M96-Y149 HydrophobicContact CE-CD1 3.93Å; M96-Y149 HydrophobicContact CE-CD2 4.34Å; M96-Y149 HydrophobicContact CE-CE1 3.63Å; M96-Y149 HydrophobicContact CE-CE2 4.08Å; M96-Y149 HydrophobicContact CE-CG 4.26Å
97	I	98.8	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-46	176.1	-58.7	-63.6	0	0	0	110.5	L94 P95 C100 C101 F128 V132 M148 Y149 L152	L94-I97 WeakPolarHBondContact O-CB 3.16Å; L94-I97 PolarHBondContact O-N 3.45Å; P95-I97 VanDerWaalsContact C-N 3.31Å; P95-I97 PolarHBondContact O-N 3.05Å; I97-C100 PolarHBondContact O-N 3.06Å; I97-C101 PolarHBondContact O-N 3.38Å; I97-C101 PolarHBondContact O-SG 3.14Å; I97-F128 HydrophobicContact CG2-CD1 4.48Å; I97-F128 HydrophobicContact CG2-CE1 4.17Å; I97-V132 HydrophobicContact CD1-CG1 4.28Å; I97-V132 HydrophobicContact CG1-CG1 4.1Å; I97-V132 HydrophobicContact CG2-CG1 4.43Å; I97-M148 HydrophobicContact CD1-CB 4.33Å; I97-Y149 HydrophobicContact CD1-CD2 4.34Å; I97-L152 HydrophobicContact CD1-CD1 4.45Å; I97-L152 HydrophobicContact CG2-CD1 4.04Å
98	Y	98.8	Very high	98.6	Very high	82 Å²	82	25.6 Å²	25.6	32%	0.322	12%	0.124	S	C	.	.	H	α-helix	trans	-66.8	-44.4	-176.8	-50.1	-31.6	0	0	0	112.2	L94 P95 C101 I102 T133	L94-Y98 HydrophobicContact CB-CE2 3.78Å; L94-Y98 WeakPolarHBondContact O-CD2 3.4Å; L94-Y98 PolarHBondContact O-N 3.43Å; P95-Y98 PolarHBondContact O-N 3.39Å; Y98-C101 WeakPolarHBondContact O-CB 3.46Å; Y98-C101 PolarHBondContact O-N 3.08Å; Y98-I102 WeakPolarHBondContact O-CG1 3.28Å; Y98-I102 PolarHBondContact O-N 3.45Å; Y98-I102 VanDerWaalsContact O-N 3.07Å; Y98-T133 WeakPolarHBondContact CE1-OG1 3.39Å; Y98-T133 WeakPolarHBondContact OH-CG2 3.4Å; Y98-T133 PolarHBondContact OH-OG1 3.45Å
99	S	98.8	Very high	98.6	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-45.1	176.1	60.3	0	0	0	0	111.3	P95 M96 C101 I102 F103	P95-S99 VanDerWaalsContact O-CB 3.24Å; P95-S99 WeakPolarHBondContact O-CB 3.49Å; P95-S99 PolarHBondContact O-N 3.26Å; P95-S99 PolarHBondContact O-OG 3.45Å; M96-S99 PolarHBondContact O-OG 3.03Å; S99-C101 VanDerWaalsContact C-N 3.33Å; S99-C101 PolarHBondContact O-N 3.31Å; S99-I102 WeakPolarHBondContact O-CB 3.24Å; S99-I102 PolarHBondContact O-N 3.35Å; S99-I102 VanDerWaalsContact O-N 3.09Å; S99-F103 VanDerWaalsContact O-CD1 3.23Å; S99-F103 WeakPolarHBondContact O-CD1 3.41Å; S99-F103 VanDerWaalsContact O-CG 3.26Å; S99-F103 WeakPolarHBondContact O-CG 3.32Å; S99-F103 PolarHBondContact O-N 3.38Å
100	C	98.7	Very high	98.6	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-66	-36.2	178.7	-157	0	0	0	0	111.9	M96 I97 I102 F103 V104 Y149 L152	M96-C100 VanDerWaalsContact O-CB 3.28Å; M96-C100 WeakPolarHBondContact O-CB 3.26Å; M96-C100 PolarHBondContact O-N 3.14Å; M96-C100 VanDerWaalsContact O-N 3.14Å; I97-C100 PolarHBondContact O-N 3.06Å; C100-I102 VanDerWaalsContact C-N 3.34Å; C100-I102 PolarHBondContact O-N 3.05Å; C100-F103 PolarHBondContact O-N 3.01Å; C100-F103 VanDerWaalsContact O-N 3.16Å; C100-V104 WeakPolarHBondContact O-CG2 3.37Å; C100-V104 PolarHBondContact O-N 3.15Å; C100-Y149 HydrophobicContact CB-CD2 4.47Å; C100-Y149 HydrophobicContact CB-CE2 4.16Å; C100-L152 HydrophobicContact CB-CB 4.14Å; C100-L152 HydrophobicContact CB-CD1 4Å; C100-L152 VanDerWaalsContact SG-CB 3.58Å
101	C	98.9	Very high	98.5	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-43.8	170.1	-71.6	0	0	0	0	112.1	I97 Y98 S99 F103 V104 Y105 L125	I97-C101 PolarHBondContact O-N 3.38Å; I97-C101 PolarHBondContact O-SG 3.14Å; Y98-C101 WeakPolarHBondContact O-CB 3.46Å; Y98-C101 PolarHBondContact O-N 3.08Å; S99-C101 VanDerWaalsContact C-N 3.33Å; S99-C101 PolarHBondContact O-N 3.31Å; C101-F103 VanDerWaalsContact C-N 3.32Å; C101-F103 PolarHBondContact O-N 3.47Å; C101-V104 PolarHBondContact O-N 2.93Å; C101-Y105 PolarHBondContact O-N 3.46Å; C101-L125 HydrophobicContact CB-CB 4.22Å; C101-L125 HydrophobicContact CB-CD2 4.24Å; C101-L125 WeakPolarHBondContact O-CD1 3.45Å
102	I	98.9	Very high	98.5	Very high	53 Å²	53	24 Å²	24	27%	0.272	11%	0.111	S	C	.	.	H	α-helix	trans	-62.5	-40.7	175.4	-65.6	163.2	0	0	0	110.8	A65 A69 Y98 S99 C100 Y105 C106	A65-I102 HydrophobicContact CB-CG2 4.43Å; A69-I102 HydrophobicContact CB-CD1 3.83Å; Y98-I102 WeakPolarHBondContact O-CG1 3.28Å; Y98-I102 PolarHBondContact O-N 3.45Å; Y98-I102 VanDerWaalsContact O-N 3.07Å; S99-I102 WeakPolarHBondContact O-CB 3.24Å; S99-I102 PolarHBondContact O-N 3.35Å; S99-I102 VanDerWaalsContact O-N 3.09Å; C100-I102 VanDerWaalsContact C-N 3.34Å; C100-I102 PolarHBondContact O-N 3.05Å; I102-Y105 PolarHBondContact O-N 3Å; I102-C106 PolarHBondContact O-N 2.82Å; I102-C106 PolarHBondContact O-SG 3.19Å
103	F	98.8	Very high	98.3	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.053	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-44.2	178	-58.3	-13	0	0	0	111.4	S66 L70 S99 C100 C101 Y105 C106 M107 L156 I232	S66-F103 WeakPolarHBondContact O-CE1 3.23Å; L70-F103 HydrophobicContact CB-CZ 4.42Å; S99-F103 VanDerWaalsContact O-CD1 3.23Å; S99-F103 WeakPolarHBondContact O-CD1 3.41Å; S99-F103 VanDerWaalsContact O-CG 3.26Å; S99-F103 WeakPolarHBondContact O-CG 3.32Å; S99-F103 PolarHBondContact O-N 3.38Å; C100-F103 PolarHBondContact O-N 3.01Å; C100-F103 VanDerWaalsContact O-N 3.16Å; C101-F103 VanDerWaalsContact C-N 3.32Å; C101-F103 PolarHBondContact O-N 3.47Å; F103-Y105 VanDerWaalsContact C-N 3.34Å; F103-Y105 PolarHBondContact O-N 3.23Å; F103-C106 PolarHBondContact O-N 2.94Å; F103-M107 WeakPolarHBondContact O-CB 3.32Å; F103-M107 WeakPolarHBondContact O-CG 3.36Å; F103-M107 PolarHBondContact O-N 3.2Å; F103-L156 HydrophobicContact CB-CD1 3.86Å; F103-L156 HydrophobicContact CB-CD2 3.99Å; F103-L156 HydrophobicContact CD2-CD2 4.29Å; F103-I232 HydrophobicContact CD1-CG1 4.41Å; F103-I232 HydrophobicContact CE1-CD1 3.93Å; F103-I232 HydrophobicContact CE1-CG1 3.91Å; F103-I232 HydrophobicContact CZ-CD1 3.92Å; F103-I232 HydrophobicContact CZ-CG1 4.09Å
104	V	98.9	Very high	98.1	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-57.8	-47.9	173.8	170.8	0	0	0	0	110	C100 C101 C106 M107 F108 L125 L152 L156	C100-V104 WeakPolarHBondContact O-CG2 3.37Å; C100-V104 PolarHBondContact O-N 3.15Å; C101-V104 PolarHBondContact O-N 2.93Å; V104-C106 PolarHBondContact O-N 2.86Å; V104-M107 PolarHBondContact O-N 3.46Å; V104-F108 HydrophobicContact CG1-CD2 3.86Å; V104-F108 HydrophobicContact CG1-CE2 4.02Å; V104-F108 WeakPolarHBondContact O-CD2 3.43Å; V104-F108 PolarHBondContact O-N 2.85Å; V104-L125 HydrophobicContact CB-CD2 4.33Å; V104-L125 HydrophobicContact CG1-CD1 4.4Å; V104-L125 HydrophobicContact CG1-CD2 4.03Å; V104-L152 HydrophobicContact CG2-CD2 4.31Å; V104-L156 HydrophobicContact CG2-CD1 3.99Å
105	Y	98.9	Very high	97.8	Very high	28 Å²	28	40.1 Å²	40.1	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-56.5	-48.4	176	-172.9	-91	0	0	0	111.8	C101 I102 F103 M107 F108 E109 N118 L121 L122 L125	C101-Y105 PolarHBondContact O-N 3.46Å; I102-Y105 PolarHBondContact O-N 3Å; F103-Y105 VanDerWaalsContact C-N 3.34Å; F103-Y105 PolarHBondContact O-N 3.23Å; Y105-M107 VanDerWaalsContact C-N 3.34Å; Y105-M107 PolarHBondContact O-N 2.77Å; Y105-F108 PolarHBondContact O-N 2.96Å; Y105-E109 HydrophobicContact CD1-CG 4.39Å; Y105-E109 HydrophobicContact CD2-CG 4.37Å; Y105-E109 HydrophobicContact CE1-CB 4.43Å; Y105-E109 HydrophobicContact CE1-CG 4.1Å; Y105-E109 HydrophobicContact CE2-CG 4.08Å; Y105-E109 VanDerWaalsContact O-CB 3.24Å; Y105-E109 WeakPolarHBondContact O-CB 3.41Å; Y105-E109 WeakPolarHBondContact O-CG 3.39Å; Y105-E109 PolarHBondContact O-N 3.43Å; Y105-N118 HydrophobicContact CE2-CB 4.49Å; Y105-N118 PolarHBondContact OH-N 3.01Å; Y105-L121 HydrophobicContact CD2-CB 4.44Å; Y105-L121 HydrophobicContact CD2-CD2 3.91Å; Y105-L121 HydrophobicContact CD2-CG 4Å; Y105-L121 HydrophobicContact CE2-CD2 4.43Å; Y105-L122 HydrophobicContact CE2-CB 4.06Å; Y105-L122 HydrophobicContact CE2-CD1 4.44Å; Y105-L125 HydrophobicContact CD2-CD1 4.23Å
106	C	98.8	Very high	97.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-43.2	177.8	-67.6	0	0	0	0	112.7	Y63 I102 F103 V104 C110	Y63-C106 HydrophobicContact CE1-CB 4.1Å; I102-C106 PolarHBondContact O-N 2.82Å; I102-C106 PolarHBondContact O-SG 3.19Å; F103-C106 PolarHBondContact O-N 2.94Å; V104-C106 PolarHBondContact O-N 2.86Å; C106-C110 WeakPolarHBondContact O-CB 3.29Å; C106-C110 PolarHBondContact O-N 2.84Å; C106-C110 VanDerWaalsContact O-N 3.11Å
107	M	98.6	Very high	97.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73.2	-32.4	-176.3	-75.8	-57.2	-65.1	0	0	114.2	F103 V104 Y105 C110 L156 R159 I163 H231 F234 S235	F103-M107 WeakPolarHBondContact O-CB 3.32Å; F103-M107 WeakPolarHBondContact O-CG 3.36Å; F103-M107 PolarHBondContact O-N 3.2Å; V104-M107 PolarHBondContact O-N 3.46Å; Y105-M107 VanDerWaalsContact C-N 3.34Å; Y105-M107 PolarHBondContact O-N 2.77Å; M107-C110 PolarHBondContact O-SG 2.79Å; M107-L156 HydrophobicContact CB-CD1 4.04Å; M107-L156 HydrophobicContact CG-CD1 3.57Å; M107-R159 HydrophobicContact CB-CG 3.92Å; M107-R159 HydrophobicContact CE-CG 4.19Å; M107-R159 PolarHBondContact O-NE 3.29Å; M107-I163 HydrophobicContact CE-CD1 3.26Å; M107-H231 WeakPolarHBondContact CG-NE2 3.46Å; M107-F234 HydrophobicContact CE-CD1 4.05Å; M107-F234 HydrophobicContact CE-CE1 3.44Å; M107-F234 VanDerWaalsContact CE-CE1 3.44Å; M107-F234 HydrophobicContact CE-CZ 4.39Å; M107-F234 HydrophobicContact SD-CD1 4.25Å; M107-F234 HydrophobicContact SD-CE1 4.22Å; M107-S235 WeakPolarHBondContact SD-CB 3.41Å; M107-S235 PolarHBondContact SD-OG 2.96Å
108	F	98.6	Very high	97.6	Very high	77 Å²	77	46.1 Å²	46.1	34%	0.338	23%	0.23	S	C	.	.	H	α-helix	trans	-80.6	-30.8	175.6	-82.8	-101.2	0	0	0	111.9	V104 Y105 L121 T155 R159	V104-F108 HydrophobicContact CG1-CD2 3.86Å; V104-F108 HydrophobicContact CG1-CE2 4.02Å; V104-F108 WeakPolarHBondContact O-CD2 3.43Å; V104-F108 PolarHBondContact O-N 2.85Å; Y105-F108 PolarHBondContact O-N 2.96Å; F108-L121 HydrophobicContact CB-CD2 3.71Å; F108-L121 HydrophobicContact CG-CD2 4.49Å; F108-T155 HydrophobicContact CE2-CG2 3.98Å; F108-T155 HydrophobicContact CZ-CG2 4.09Å; F108-R159 HydrophobicContact CD2-CB 4.5Å; F108-R159 HydrophobicContact CD2-CG 4.05Å; F108-R159 HydrophobicContact CE2-CB 3.87Å; F108-R159 HydrophobicContact CE2-CG 3.88Å; F108-R159 HydrophobicContact CZ-CB 4.24Å; F108-R159 HydrophobicContact CZ-CG 4.33Å
109	E	98.3	Very high	97.6	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.019	24%	0.24	C	C	.	.	S	Bend	trans	-96.2	10	-177.1	-62.8	-70.8	112.3	0	0	113.5	R62 Y105 F111 K112 N118 L121	R62-E109 VanDerWaalsContact NH1-C 3.32Å; R62-E109 PolarHBondContact NH1-O 3.47Å; R62-E109 PolarHBondContact NH2-O 3.44Å; Y105-E109 HydrophobicContact CD1-CG 4.39Å; Y105-E109 HydrophobicContact CD2-CG 4.37Å; Y105-E109 HydrophobicContact CE1-CB 4.43Å; Y105-E109 HydrophobicContact CE1-CG 4.1Å; Y105-E109 HydrophobicContact CE2-CG 4.08Å; Y105-E109 VanDerWaalsContact O-CB 3.24Å; Y105-E109 WeakPolarHBondContact O-CB 3.41Å; Y105-E109 WeakPolarHBondContact O-CG 3.39Å; Y105-E109 PolarHBondContact O-N 3.43Å; E109-F111 VanDerWaalsContact C-N 3.26Å; E109-F111 PolarHBondContact O-N 2.88Å; E109-K112 HydrophobicContact CB-CG 4.35Å; E109-K112 PolarHBondContact O-N 3.17Å; E109-K112 WeakPolarHBondContact OE2-CG 3.3Å; E109-N118 HydrophobicContact CG-CB 4.32Å; E109-N118 WeakPolarHBondContact OE1-CB 3.3Å; E109-N118 PolarHBondContact OE1-ND2 3.45Å; E109-N118 VanDerWaalsContact OE2-CB 3.22Å; E109-N118 WeakPolarHBondContact OE2-CB 3.4Å; E109-L121 HydrophobicContact CG-CD2 4.11Å
110	C	97.2	Very high	97.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.3	-178	65.6	0	0	0	0	113.7	C106 M107 T238 R239	C106-C110 WeakPolarHBondContact O-CB 3.29Å; C106-C110 PolarHBondContact O-N 2.84Å; C106-C110 VanDerWaalsContact O-N 3.11Å; M107-C110 PolarHBondContact O-SG 2.79Å; C110-T238 HydrophobicContact CB-CG2 4.07Å; C110-R239 WeakPolarHBondContact O-CD 3.07Å; C110-R239 PolarHBondContact O-NH1 3.34Å
111	F	97.8	Very high	97.5	Very high	43 Å²	43	57.6 Å²	57.6	19%	0.189	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	16.8	-179.9	-54.9	-49.9	0	0	0	114.1	E109 I163 V167 Y168 T238 Y242	E109-F111 VanDerWaalsContact C-N 3.26Å; E109-F111 PolarHBondContact O-N 2.88Å; F111-I163 HydrophobicContact CE2-CD1 4.31Å; F111-I163 HydrophobicContact CE2-CG1 3.88Å; F111-I163 HydrophobicContact CZ-CD1 4.34Å; F111-I163 HydrophobicContact CZ-CG1 3.88Å; F111-I163 HydrophobicContact CZ-CG2 4.38Å; F111-V167 HydrophobicContact CE1-CG1 3.9Å; F111-V167 HydrophobicContact CE2-CG1 4.39Å; F111-V167 HydrophobicContact CE2-CG2 4.18Å; F111-V167 HydrophobicContact CZ-CB 4.09Å; F111-V167 HydrophobicContact CZ-CG1 3.64Å; F111-V167 HydrophobicContact CZ-CG2 4.12Å; F111-Y168 HydrophobicContact CE1-CD2 4.35Å; F111-Y168 AromaticContact CE1-CE2 3.63Å; F111-Y168 HydrophobicContact CE1-CE2 3.63Å; F111-Y168 HydrophobicContact CZ-CE2 4.27Å; F111-T238 HydrophobicContact CE1-CG2 3.64Å; F111-T238 HydrophobicContact CZ-CG2 3.7Å; F111-Y242 HydrophobicContact CB-CD2 4.17Å; F111-Y242 HydrophobicContact CB-CE2 4.11Å; F111-Y242 AromaticContact CD1-CD2 3.74Å; F111-Y242 HydrophobicContact CD1-CD2 3.74Å; F111-Y242 HydrophobicContact CD1-CE2 4.49Å; F111-Y242 HydrophobicContact CD1-CG 4.11Å; F111-Y242 HydrophobicContact CG-CD2 4.44Å; F111-Y242 WeakPolarHBondContact O-CE2 3.46Å; F111-Y242 PolarHBondContact O-OH 3.27Å; F111-Y242 VanDerWaalsContact O-OH 3.06Å
112	K	97.1	Very high	97.5	Very high	98 Å²	98	60.2 Å²	60.2	43%	0.426	29%	0.294	S	S	.	.	S	Bend	trans	-94.3	162.2	-179.6	-62.6	-69.2	-169.3	167.3	0	111.6	E109 R239 Y242	E109-K112 HydrophobicContact CB-CG 4.35Å; E109-K112 PolarHBondContact O-N 3.17Å; E109-K112 WeakPolarHBondContact OE2-CG 3.3Å; K112-R239 VanDerWaalsContact O-CZ 3.28Å; K112-R239 PolarHBondContact O-NH1 2.97Å; K112-R239 PolarHBondContact O-NH2 3.07Å; K112-Y242 WeakPolarHBondContact O-CE1 3.4Å
113	I	95.3	Very high	97.5	Very high	127 Å²	127	64 Å²	64	65%	0.651	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-59.9	151.5	177.9	-166.3	165.7	0	0	0	111.1	S116	I113-S116 WeakPolarHBondContact CG2-OG 3.5Å; I113-S116 PolarHBondContact O-OG 3.34Å
114	K	93.4	Very high	97.5	Very high	99 Å²	99	67.7 Å²	67.7	43%	0.43	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	145.4	176.4	-166.7	175.8	179.1	178.3	0	109.5	S116	K114-S116 PolarHBondContact O-N 2.7Å
115	N	93	Very high	97.5	Very high	151 Å²	151	68.2 Å²	68.2	81%	0.807	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	20.9	179.7	-52.8	-35.3	0	0	0	115.5
116	S	96	Very high	97.5	Very high	48 Å²	48	70.7 Å²	70.7	34%	0.336	35%	0.352	S	S	.	.			trans	-97.2	145	166.8	63.4	0	0	0	0	111.9	I113 K114	I113-S116 WeakPolarHBondContact CG2-OG 3.5Å; I113-S116 PolarHBondContact O-OG 3.34Å; K114-S116 PolarHBondContact O-N 2.7Å
117	V	97.5	Very high	97.5	Very high	73 Å²	73	75.5 Å²	75.5	44%	0.442	38%	0.377	S	S	.	.			trans	-118.1	127.3	174.6	-179.5	0	0	0	0	109.2	Y119 L122	V117-Y119 HydrophobicContact CB-CE2 4.21Å; V117-Y119 HydrophobicContact CG1-CD1 4.1Å; V117-Y119 HydrophobicContact CG1-CD2 4.45Å; V117-Y119 HydrophobicContact CG1-CE1 3.92Å; V117-Y119 HydrophobicContact CG1-CE2 4.31Å; V117-Y119 HydrophobicContact CG1-CG 4.35Å; V117-Y119 PolarHBondContact O-N 3.12Å; V117-L122 HydrophobicContact CG1-CD2 4.36Å
118	N	98	Very high	97.5	Very high	45 Å²	45	78.2 Å²	78.2	24%	0.241	39%	0.389	C	S	.	.			trans	-91.2	88.9	173.7	-177.9	-9.9	0	0	0	109.5	Y105 E109 H120 L121 L122	Y105-N118 HydrophobicContact CE2-CB 4.49Å; Y105-N118 PolarHBondContact OH-N 3.01Å; E109-N118 HydrophobicContact CG-CB 4.32Å; E109-N118 WeakPolarHBondContact OE1-CB 3.3Å; E109-N118 PolarHBondContact OE1-ND2 3.45Å; E109-N118 VanDerWaalsContact OE2-CB 3.22Å; E109-N118 WeakPolarHBondContact OE2-CB 3.4Å; N118-H120 VanDerWaalsContact C-N 3.27Å; N118-H120 PolarHBondContact O-N 3.05Å; N118-H120 PolarHBondContact OD1-N 3.18Å; N118-L121 HydrophobicContact CB-CB 4.33Å; N118-L121 PolarHBondContact O-N 3.11Å; N118-L121 PolarHBondContact OD1-N 3.49Å; N118-L121 VanDerWaalsContact OD1-N 3.15Å; N118-L122 WeakPolarHBondContact O-CB 3.42Å; N118-L122 PolarHBondContact O-N 3.49Å
119	Y	97.8	Very high	97.5	Very high	139 Å²	139	75.4 Å²	75.4	55%	0.545	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-33.3	-178.2	-70.2	-73.1	0	0	0	113.2	V117 L122 F123	V117-Y119 HydrophobicContact CB-CE2 4.21Å; V117-Y119 HydrophobicContact CG1-CD1 4.1Å; V117-Y119 HydrophobicContact CG1-CD2 4.45Å; V117-Y119 HydrophobicContact CG1-CE1 3.92Å; V117-Y119 HydrophobicContact CG1-CE2 4.31Å; V117-Y119 HydrophobicContact CG1-CG 4.35Å; V117-Y119 PolarHBondContact O-N 3.12Å; Y119-L122 HydrophobicContact CD1-CD2 4.41Å; Y119-L122 PolarHBondContact O-N 3.25Å; Y119-F123 HydrophobicContact CD1-CE2 4.1Å; Y119-F123 HydrophobicContact CD1-CZ 4.19Å; Y119-F123 HydrophobicContact CG-CE2 4.36Å; Y119-F123 WeakPolarHBondContact O-CB 3.28Å; Y119-F123 WeakPolarHBondContact O-CD2 3.5Å; Y119-F123 WeakPolarHBondContact O-CG 3.33Å; Y119-F123 PolarHBondContact O-N 3.47Å
120	H	98.5	Very high	97.5	Very high	160 Å²	160	80.1 Å²	80.1	74%	0.741	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-50.3	176.7	-68.5	-72.5	0	0	0	111.5	N118 L122 T124	N118-H120 VanDerWaalsContact C-N 3.27Å; N118-H120 PolarHBondContact O-N 3.05Å; N118-H120 PolarHBondContact OD1-N 3.18Å; H120-L122 VanDerWaalsContact C-N 3.35Å; H120-T124 WeakPolarHBondContact O-CB 3.37Å; H120-T124 PolarHBondContact O-N 3Å; H120-T124 PolarHBondContact O-OG1 3.29Å
121	L	98.4	Very high	97.6	Very high	34 Å²	34	84.5 Å²	84.5	18%	0.178	43%	0.427	C	S	.	.	H	α-helix	trans	-64.9	-41	177.3	-178.4	61	0	0	0	111.6	Y105 F108 E109 N118 T124 L125	Y105-L121 HydrophobicContact CD2-CB 4.44Å; Y105-L121 HydrophobicContact CD2-CD2 3.91Å; Y105-L121 HydrophobicContact CD2-CG 4Å; Y105-L121 HydrophobicContact CE2-CD2 4.43Å; F108-L121 HydrophobicContact CB-CD2 3.71Å; F108-L121 HydrophobicContact CG-CD2 4.49Å; E109-L121 HydrophobicContact CG-CD2 4.11Å; N118-L121 HydrophobicContact CB-CB 4.33Å; N118-L121 PolarHBondContact O-N 3.11Å; N118-L121 PolarHBondContact OD1-N 3.49Å; N118-L121 VanDerWaalsContact OD1-N 3.15Å; L121-T124 PolarHBondContact O-N 3.4Å; L121-L125 HydrophobicContact CD1-CD1 3.97Å; L121-L125 HydrophobicContact CD1-CG 4.16Å; L121-L125 HydrophobicContact CG-CD1 3.88Å; L121-L125 HydrophobicContact CG-CG 4.49Å; L121-L125 VanDerWaalsContact O-CG 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.28Å; L121-L125 PolarHBondContact O-N 3.06Å
122	L	98.4	Very high	97.6	Very high	64 Å²	64	82.5 Å²	82.5	34%	0.335	42%	0.418	S	S	.	.	H	α-helix	trans	-59.6	-52.3	178.8	-176.7	67.2	0	0	0	111.6	Y105 V117 N118 Y119 H120 T124 L125 V126	Y105-L122 HydrophobicContact CE2-CB 4.06Å; Y105-L122 HydrophobicContact CE2-CD1 4.44Å; V117-L122 HydrophobicContact CG1-CD2 4.36Å; N118-L122 WeakPolarHBondContact O-CB 3.42Å; N118-L122 PolarHBondContact O-N 3.49Å; Y119-L122 HydrophobicContact CD1-CD2 4.41Å; Y119-L122 PolarHBondContact O-N 3.25Å; H120-L122 VanDerWaalsContact C-N 3.35Å; L122-T124 VanDerWaalsContact C-N 3.35Å; L122-T124 PolarHBondContact O-N 2.85Å; L122-L125 PolarHBondContact O-N 3.33Å; L122-V126 WeakPolarHBondContact O-CG2 3.37Å; L122-V126 PolarHBondContact O-N 3.48Å
123	F	98.6	Very high	97.7	Very high	132 Å²	132	78.8 Å²	78.8	58%	0.579	40%	0.403	S	S	*	.	H	α-helix	trans	-66.1	-36.4	-179.6	-68.5	-47.3	0	0	0	112.3	Y119 V126 L127	Y119-F123 HydrophobicContact CD1-CE2 4.1Å; Y119-F123 HydrophobicContact CD1-CZ 4.19Å; Y119-F123 HydrophobicContact CG-CE2 4.36Å; Y119-F123 WeakPolarHBondContact O-CB 3.28Å; Y119-F123 WeakPolarHBondContact O-CD2 3.5Å; Y119-F123 WeakPolarHBondContact O-CG 3.33Å; Y119-F123 PolarHBondContact O-N 3.47Å; F123-V126 PolarHBondContact O-N 3.16Å; F123-L127 VanDerWaalsContact O-CB 3.26Å; F123-L127 WeakPolarHBondContact O-CB 3.46Å; F123-L127 PolarHBondContact O-N 3.33Å
124	T	98.8	Very high	97.9	Very high	91 Å²	91	75.6 Å²	75.6	56%	0.558	39%	0.39	S	S	*	.	H	α-helix	trans	-60.5	-45.5	173.9	-64.6	0	0	0	0	111.8	H120 L121 L122 L127 F128	H120-T124 WeakPolarHBondContact O-CB 3.37Å; H120-T124 PolarHBondContact O-N 3Å; H120-T124 PolarHBondContact O-OG1 3.29Å; L121-T124 PolarHBondContact O-N 3.4Å; L122-T124 VanDerWaalsContact C-N 3.35Å; L122-T124 PolarHBondContact O-N 2.85Å; T124-L127 PolarHBondContact O-N 3.43Å; T124-F128 WeakPolarHBondContact O-CB 3.43Å; T124-F128 PolarHBondContact O-N 2.96Å
125	L	98.7	Very high	98.1	Very high	18 Å²	18	73.4 Å²	73.4	9%	0.094	39%	0.385	C	S	.	.	H	α-helix	trans	-68.9	-37.6	179.7	-70	167.8	0	0	0	112.4	C101 V104 Y105 L121 L122 S129	C101-L125 HydrophobicContact CB-CB 4.22Å; C101-L125 HydrophobicContact CB-CD2 4.24Å; C101-L125 WeakPolarHBondContact O-CD1 3.45Å; V104-L125 HydrophobicContact CB-CD2 4.33Å; V104-L125 HydrophobicContact CG1-CD1 4.4Å; V104-L125 HydrophobicContact CG1-CD2 4.03Å; Y105-L125 HydrophobicContact CD2-CD1 4.23Å; L121-L125 HydrophobicContact CD1-CD1 3.97Å; L121-L125 HydrophobicContact CD1-CG 4.16Å; L121-L125 HydrophobicContact CG-CD1 3.88Å; L121-L125 HydrophobicContact CG-CG 4.49Å; L121-L125 VanDerWaalsContact O-CG 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.28Å; L121-L125 PolarHBondContact O-N 3.06Å; L122-L125 PolarHBondContact O-N 3.33Å; L125-S129 PolarHBondContact O-N 3.11Å; L125-S129 PolarHBondContact O-OG 3.31Å
126	V	98.7	Very high	98.3	Very high	79 Å²	79	66.2 Å²	66.2	48%	0.479	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-43.8	173.8	170.1	0	0	0	0	111.1	L122 F123 S129 L130	L122-V126 WeakPolarHBondContact O-CG2 3.37Å; L122-V126 PolarHBondContact O-N 3.48Å; F123-V126 PolarHBondContact O-N 3.16Å; V126-S129 PolarHBondContact O-N 3.01Å; V126-S129 PolarHBondContact O-OG 2.83Å; V126-L130 WeakPolarHBondContact O-CB 3.43Å; V126-L130 PolarHBondContact O-N 2.86Å
127	L	98.8	Very high	98.4	Very high	103 Å²	103	67.6 Å²	67.6	54%	0.539	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-43.3	177.4	-179.1	60.9	0	0	0	111.1	F123 T124 L130 I131	F123-L127 VanDerWaalsContact O-CB 3.26Å; F123-L127 WeakPolarHBondContact O-CB 3.46Å; F123-L127 PolarHBondContact O-N 3.33Å; T124-L127 PolarHBondContact O-N 3.43Å; L127-L130 PolarHBondContact O-N 3.4Å; L127-I131 HydrophobicContact CD1-CD1 4.06Å; L127-I131 HydrophobicContact CD1-CG1 4.3Å; L127-I131 HydrophobicContact CG-CD1 3.92Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3Å; L127-I131 PolarHBondContact O-N 3.39Å
128	F	98.8	Very high	98.4	Very high	57 Å²	57	72.2 Å²	72.2	25%	0.25	36%	0.364	C	S	.	.	H	α-helix	trans	-56.4	-52.5	174.8	176.5	-91.5	0	0	0	111.2	I97 T124 L130 I131 V132 M148 L152	I97-F128 HydrophobicContact CG2-CD1 4.48Å; I97-F128 HydrophobicContact CG2-CE1 4.17Å; T124-F128 WeakPolarHBondContact O-CB 3.43Å; T124-F128 PolarHBondContact O-N 2.96Å; F128-L130 VanDerWaalsContact C-N 3.32Å; F128-L130 PolarHBondContact O-N 3.11Å; F128-I131 PolarHBondContact O-N 3.24Å; F128-V132 HydrophobicContact CD1-CG2 4.2Å; F128-V132 HydrophobicContact CE1-CG2 3.74Å; F128-V132 HydrophobicContact CE2-CG2 4.17Å; F128-V132 HydrophobicContact CZ-CG2 3.75Å; F128-V132 WeakPolarHBondContact O-CG2 3.2Å; F128-V132 PolarHBondContact O-N 2.93Å; F128-M148 HydrophobicContact CE2-SD 4.42Å; F128-M148 HydrophobicContact CZ-CB 4.29Å; F128-M148 HydrophobicContact CZ-SD 4.35Å; F128-L152 HydrophobicContact CD1-CD1 4.27Å; F128-L152 HydrophobicContact CD1-CD2 4.31Å; F128-L152 HydrophobicContact CD1-CG 4.49Å; F128-L152 HydrophobicContact CE1-CD1 3.61Å; F128-L152 HydrophobicContact CE1-CD2 4Å; F128-L152 HydrophobicContact CE1-CG 3.74Å; F128-L152 HydrophobicContact CZ-CD1 4.43Å; F128-L152 HydrophobicContact CZ-CD2 4.49Å; F128-L152 HydrophobicContact CZ-CG 4.15Å
129	S	98.6	Very high	98.3	Very high	18 Å²	18	74.1 Å²	74.1	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-65.4	-34.9	-177.9	66.9	0	0	0	0	112.7	L125 V126 T133	L125-S129 PolarHBondContact O-N 3.11Å; L125-S129 PolarHBondContact O-OG 3.31Å; V126-S129 PolarHBondContact O-N 3.01Å; V126-S129 PolarHBondContact O-OG 2.83Å; S129-T133 VanDerWaalsContact O-CB 3.32Å; S129-T133 WeakPolarHBondContact O-CB 3.49Å; S129-T133 PolarHBondContact O-N 3.48Å; S129-T133 PolarHBondContact O-OG1 2.85Å
130	L	98.7	Very high	98.1	Very high	103 Å²	103	72.1 Å²	72.1	54%	0.539	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-43.4	174.7	-174.9	66.5	0	0	0	112.1	V126 L127 F128 T133 T134	V126-L130 WeakPolarHBondContact O-CB 3.43Å; V126-L130 PolarHBondContact O-N 2.86Å; L127-L130 PolarHBondContact O-N 3.4Å; F128-L130 VanDerWaalsContact C-N 3.32Å; F128-L130 PolarHBondContact O-N 3.11Å; L130-T133 PolarHBondContact O-N 2.98Å; L130-T134 WeakPolarHBondContact O-CB 3.5Å; L130-T134 PolarHBondContact O-N 3.35Å; L130-T134 PolarHBondContact O-OG1 3.49Å
131	I	98.7	Very high	97.9	Very high	92 Å²	92	69.5 Å²	69.5	47%	0.472	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-50.9	176.5	-70.5	166.5	0	0	0	109.9	L127 F128 T133 T134 V135	L127-I131 HydrophobicContact CD1-CD1 4.06Å; L127-I131 HydrophobicContact CD1-CG1 4.3Å; L127-I131 HydrophobicContact CG-CD1 3.92Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3Å; L127-I131 PolarHBondContact O-N 3.39Å; F128-I131 PolarHBondContact O-N 3.24Å; I131-T133 VanDerWaalsContact C-N 3.33Å; I131-T133 PolarHBondContact O-N 3.21Å; I131-T134 PolarHBondContact O-N 3.47Å; I131-V135 HydrophobicContact CG2-CG2 4.45Å; I131-V135 WeakPolarHBondContact O-CG2 3.26Å; I131-V135 PolarHBondContact O-N 2.84Å
132	V	98.6	Very high	97.7	Very high	2 Å²	2	69 Å²	69	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-47.8	179.1	173.8	0	0	0	0	110.6	I97 F128 T134 V135 Y136 F144 M148	I97-V132 HydrophobicContact CD1-CG1 4.28Å; I97-V132 HydrophobicContact CG1-CG1 4.1Å; I97-V132 HydrophobicContact CG2-CG1 4.43Å; F128-V132 HydrophobicContact CD1-CG2 4.2Å; F128-V132 HydrophobicContact CE1-CG2 3.74Å; F128-V132 HydrophobicContact CE2-CG2 4.17Å; F128-V132 HydrophobicContact CZ-CG2 3.75Å; F128-V132 WeakPolarHBondContact O-CG2 3.2Å; F128-V132 PolarHBondContact O-N 2.93Å; V132-T134 PolarHBondContact O-N 3.06Å; V132-V135 PolarHBondContact O-N 3.09Å; V132-Y136 WeakPolarHBondContact O-CB 3.38Å; V132-Y136 PolarHBondContact O-N 3.38Å; V132-F144 HydrophobicContact CG1-CE1 4.06Å; V132-M148 HydrophobicContact CG1-CB 4.08Å; V132-M148 HydrophobicContact CG1-CG 4.19Å; V132-M148 HydrophobicContact CG2-CB 3.97Å; V132-M148 HydrophobicContact CG2-CG 3.81Å; V132-M148 HydrophobicContact CG2-SD 4.18Å
133	T	98.6	Very high	97.6	Very high	19 Å²	19	71 Å²	71	12%	0.117	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-47.4	178.7	-56.2	0	0	0	0	111.7	L94 Y98 S129 L130 I131 V135 Y136 L137	L94-T133 HydrophobicContact CD1-CG2 3.93Å; L94-T133 HydrophobicContact CD2-CG2 4.1Å; Y98-T133 WeakPolarHBondContact CE1-OG1 3.39Å; Y98-T133 WeakPolarHBondContact OH-CG2 3.4Å; Y98-T133 PolarHBondContact OH-OG1 3.45Å; S129-T133 VanDerWaalsContact O-CB 3.32Å; S129-T133 WeakPolarHBondContact O-CB 3.49Å; S129-T133 PolarHBondContact O-N 3.48Å; S129-T133 PolarHBondContact O-OG1 2.85Å; L130-T133 PolarHBondContact O-N 2.98Å; I131-T133 VanDerWaalsContact C-N 3.33Å; I131-T133 PolarHBondContact O-N 3.21Å; T133-V135 PolarHBondContact O-N 2.93Å; T133-Y136 PolarHBondContact O-N 3.16Å; T133-L137 HydrophobicContact CG2-CD1 3.87Å; T133-L137 HydrophobicContact CG2-CG 4.43Å; T133-L137 VanDerWaalsContact O-CG 3.3Å; T133-L137 WeakPolarHBondContact O-CG 3.32Å; T133-L137 PolarHBondContact O-N 3.15Å
134	T	98.6	Very high	97.6	Very high	61 Å²	61	67.4 Å²	67.4	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-43.7	-176.9	-57.8	0	0	0	0	111.9	L130 I131 V132 K138	L130-T134 WeakPolarHBondContact O-CB 3.5Å; L130-T134 PolarHBondContact O-N 3.35Å; L130-T134 PolarHBondContact O-OG1 3.49Å; I131-T134 PolarHBondContact O-N 3.47Å; V132-T134 PolarHBondContact O-N 3.06Å; T134-K138 WeakPolarHBondContact O-CG 3.46Å; T134-K138 PolarHBondContact O-N 2.97Å
135	V	98.4	Very high	97.5	Very high	52 Å²	52	63.3 Å²	63.3	32%	0.315	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-43.7	177.4	174.5	0	0	0	0	110.1	I131 V132 T133 L137 K138 V139 F144	I131-V135 HydrophobicContact CG2-CG2 4.45Å; I131-V135 WeakPolarHBondContact O-CG2 3.26Å; I131-V135 PolarHBondContact O-N 2.84Å; V132-V135 PolarHBondContact O-N 3.09Å; T133-V135 PolarHBondContact O-N 2.93Å; V135-L137 PolarHBondContact O-N 2.72Å; V135-K138 PolarHBondContact O-N 3.4Å; V135-K138 VanDerWaalsContact O-N 3.15Å; V135-V139 HydrophobicContact CG1-CG2 4.06Å; V135-V139 WeakPolarHBondContact O-CB 3.44Å; V135-V139 WeakPolarHBondContact O-CG2 3.26Å; V135-V139 PolarHBondContact O-N 3.44Å; V135-F144 HydrophobicContact CB-CE1 3.85Å; V135-F144 HydrophobicContact CB-CZ 3.86Å; V135-F144 HydrophobicContact CG1-CD1 4.17Å; V135-F144 HydrophobicContact CG1-CE1 3.71Å; V135-F144 HydrophobicContact CG1-CE2 4.1Å; V135-F144 HydrophobicContact CG1-CZ 3.67Å
136	Y	98	Very high	97.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-41.3	-177.7	-168.3	-125.3	0	0	0	112.8	Q89 L90 E93 L94 V132 T133 K138 K140 E141 F144 H145	Q89-Y136 PolarHBondContact NE2-OH 3.25Å; L90-Y136 HydrophobicContact CD2-CD1 4.11Å; L90-Y136 HydrophobicContact CD2-CE1 4.06Å; E93-Y136 HydrophobicContact CB-CE1 4.4Å; E93-Y136 VanDerWaalsContact CD-OH 3.26Å; E93-Y136 PolarHBondContact OE1-OH 2.94Å; E93-Y136 VanDerWaalsContact OE2-CE1 3.32Å; E93-Y136 WeakPolarHBondContact OE2-CE1 3.43Å; E93-Y136 VanDerWaalsContact OE2-CZ 3.24Å; E93-Y136 PolarHBondContact OE2-OH 2.83Å; L94-Y136 HydrophobicContact CD2-CD1 3.93Å; V132-Y136 WeakPolarHBondContact O-CB 3.38Å; V132-Y136 PolarHBondContact O-N 3.38Å; T133-Y136 PolarHBondContact O-N 3.16Å; Y136-K138 VanDerWaalsContact C-N 3.27Å; Y136-K138 PolarHBondContact O-N 3.4Å; Y136-K140 WeakPolarHBondContact O-CA 3.2Å; Y136-K140 PolarHBondContact O-N 3.02Å; Y136-E141 WeakPolarHBondContact CE2-O 3.47Å; Y136-F144 HydrophobicContact CD2-CD1 4.29Å; Y136-H145 HydrophobicContact CD2-CB 4.08Å; Y136-H145 HydrophobicContact CE2-CB 3.83Å
137	L	97.6	Very high	97.4	Very high	77 Å²	77	65.5 Å²	65.5	40%	0.403	34%	0.336	S	S	.	.	H	α-helix	trans	-65.1	-28.9	176.4	-71.8	170	0	0	0	113.6	L90 T133 V135	L90-L137 HydrophobicContact CD1-CD2 3.57Å; L90-L137 HydrophobicContact CD2-CD2 3.69Å; L90-L137 HydrophobicContact CG-CD2 4.28Å; T133-L137 HydrophobicContact CG2-CD1 3.87Å; T133-L137 HydrophobicContact CG2-CG 4.43Å; T133-L137 VanDerWaalsContact O-CG 3.3Å; T133-L137 WeakPolarHBondContact O-CG 3.32Å; T133-L137 PolarHBondContact O-N 3.15Å; V135-L137 PolarHBondContact O-N 2.72Å
138	K	97	Very high	97.4	Very high	171 Å²	171	62.1 Å²	62.1	74%	0.743	32%	0.318	S	S	*	.	H	α-helix	trans	-85.3	-44.6	-179.8	-73.2	-176.6	176.7	-174.1	0	112.8	T134 V135 Y136	T134-K138 WeakPolarHBondContact O-CG 3.46Å; T134-K138 PolarHBondContact O-N 2.97Å; V135-K138 PolarHBondContact O-N 3.4Å; V135-K138 VanDerWaalsContact O-N 3.15Å; Y136-K138 VanDerWaalsContact C-N 3.27Å; Y136-K138 PolarHBondContact O-N 3.4Å
139	V	95.2	Very high	97.4	Very high	85 Å²	85	61 Å²	61	52%	0.515	31%	0.312	S	S	.	.	H	α-helix	trans	-93.3	-29.3	-170	-175.7	0	0	0	0	111.6	V135 E141	V135-V139 HydrophobicContact CG1-CG2 4.06Å; V135-V139 WeakPolarHBondContact O-CB 3.44Å; V135-V139 WeakPolarHBondContact O-CG2 3.26Å; V135-V139 PolarHBondContact O-N 3.44Å; V139-E141 HydrophobicContact CG1-CB 4.04Å; V139-E141 HydrophobicContact CG1-CG 3.66Å; V139-E141 PolarHBondContact O-N 3.44Å
140	K	95.2	Very high	97.4	Very high	97 Å²	97	61.8 Å²	61.8	42%	0.422	32%	0.323	S	S	.	.			trans	56.4	25.7	177.2	-50.4	-166.4	175.5	-173.5	0	115.2	T17 Y86 Y136 P142	T17-K140 HydrophobicContact CG2-CB 4.29Å; Y86-K140 HydrophobicContact CE1-CD 4.38Å; Y86-K140 HydrophobicContact CE2-CD 4Å; Y86-K140 HydrophobicContact CE2-CG 4.39Å; Y86-K140 WeakPolarHBondContact OH-CE 3.5Å; Y86-K140 WeakPolarHBondContact OH-CG 3.42Å; Y136-K140 WeakPolarHBondContact O-CA 3.2Å; Y136-K140 PolarHBondContact O-N 3.02Å; K140-P142 WeakPolarHBondContact O-CD 3.37Å
141	E	94.5	Very high	97.4	Very high	104 Å²	104	61 Å²	61	49%	0.486	32%	0.318	S	S	.	.			trans	-92.7	110.2	178.6	-77.5	-64.7	141.5	0	0	111	Y136 V139 I143 F144	Y136-E141 WeakPolarHBondContact CE2-O 3.47Å; V139-E141 HydrophobicContact CG1-CB 4.04Å; V139-E141 HydrophobicContact CG1-CG 3.66Å; V139-E141 PolarHBondContact O-N 3.44Å; E141-I143 PolarHBondContact O-N 3.48Å; E141-F144 HydrophobicContact CB-CB 4.49Å; E141-F144 WeakPolarHBondContact O-CB 3.47Å; E141-F144 PolarHBondContact O-N 3.03Å; E141-F144 VanDerWaalsContact O-N 3.12Å
142	P	92.9	Very high	97.4	Very high	24 Å²	24	57.2 Å²	57.2	16%	0.156	30%	0.298	C	S	.	.	H	α-helix	trans	-65.1	-26.8	-175	25.4	-33.6	0	0	0	112.9	L18 K140 F144 H145 Q146	L18-P142 HydrophobicContact CD2-CB 4.16Å; K140-P142 WeakPolarHBondContact O-CD 3.37Å; P142-F144 VanDerWaalsContact C-N 3.27Å; P142-F144 PolarHBondContact O-N 3.38Å; P142-H145 WeakPolarHBondContact O-CB 3.42Å; P142-H145 PolarHBondContact O-N 3.26Å; P142-Q146 WeakPolarHBondContact O-CG 3.39Å; P142-Q146 PolarHBondContact O-N 2.85Å
143	I	96.7	Very high	97.4	Very high	105 Å²	105	58.4 Å²	58.4	54%	0.538	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-37.7	176.1	-59.1	175.3	0	0	0	110.8	E141 H145 Q146 V147	E141-I143 PolarHBondContact O-N 3.48Å; I143-H145 VanDerWaalsContact C-N 3.34Å; I143-H145 PolarHBondContact O-N 2.86Å; I143-Q146 PolarHBondContact O-N 3.17Å; I143-V147 HydrophobicContact CG2-CG2 4.41Å; I143-V147 WeakPolarHBondContact O-CG2 3.27Å; I143-V147 PolarHBondContact O-N 3.37Å
144	F	97.8	Very high	97.4	Very high	57 Å²	57	63.6 Å²	63.6	25%	0.25	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-46.6	176.1	169.7	-100.9	0	0	0	110.9	V132 V135 Y136 E141 P142 Q146 V147 M148	V132-F144 HydrophobicContact CG1-CE1 4.06Å; V135-F144 HydrophobicContact CB-CE1 3.85Å; V135-F144 HydrophobicContact CB-CZ 3.86Å; V135-F144 HydrophobicContact CG1-CD1 4.17Å; V135-F144 HydrophobicContact CG1-CE1 3.71Å; V135-F144 HydrophobicContact CG1-CE2 4.1Å; V135-F144 HydrophobicContact CG1-CZ 3.67Å; Y136-F144 HydrophobicContact CD2-CD1 4.29Å; E141-F144 HydrophobicContact CB-CB 4.49Å; E141-F144 WeakPolarHBondContact O-CB 3.47Å; E141-F144 PolarHBondContact O-N 3.03Å; E141-F144 VanDerWaalsContact O-N 3.12Å; P142-F144 VanDerWaalsContact C-N 3.27Å; P142-F144 PolarHBondContact O-N 3.38Å; F144-Q146 PolarHBondContact O-N 2.81Å; F144-V147 PolarHBondContact O-N 2.92Å; F144-M148 HydrophobicContact CD1-CG 4.43Å; F144-M148 HydrophobicContact CD2-CE 4.2Å; F144-M148 HydrophobicContact CD2-CG 4.18Å; F144-M148 HydrophobicContact CE1-CG 4.02Å; F144-M148 HydrophobicContact CE2-CE 3.87Å; F144-M148 HydrophobicContact CE2-CG 3.75Å; F144-M148 HydrophobicContact CE2-SD 3.97Å; F144-M148 HydrophobicContact CZ-CG 3.66Å; F144-M148 HydrophobicContact CZ-SD 4.15Å; F144-M148 VanDerWaalsContact O-CG 3.28Å; F144-M148 WeakPolarHBondContact O-CG 3.38Å; F144-M148 PolarHBondContact O-N 2.97Å
145	H	97.3	Very high	97.4	Very high	5 Å²	5	63.2 Å²	63.2	2%	0.023	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-48.7	175.7	168.2	-82.2	0	0	0	111.6	E93 Y136 P142 I143 V147 M148 Y149	E93-H145 PolarHBondContact O-NE2 3.14Å; Y136-H145 HydrophobicContact CD2-CB 4.08Å; Y136-H145 HydrophobicContact CE2-CB 3.83Å; P142-H145 WeakPolarHBondContact O-CB 3.42Å; P142-H145 PolarHBondContact O-N 3.26Å; I143-H145 VanDerWaalsContact C-N 3.34Å; I143-H145 PolarHBondContact O-N 2.86Å; H145-V147 VanDerWaalsContact C-N 3.32Å; H145-V147 PolarHBondContact O-N 2.73Å; H145-M148 PolarHBondContact O-N 3.15Å; H145-M148 VanDerWaalsContact O-N 3.16Å; H145-Y149 WeakPolarHBondContact O-CB 3.33Å; H145-Y149 PolarHBondContact O-N 3.4Å
146	Q	97.3	Very high	97.4	Very high	68 Å²	68	61.4 Å²	61.4	32%	0.318	31%	0.313	S	S	.	.	H	α-helix	trans	-57.8	-42.9	-178.9	-68.4	165.5	15.3	0	0	112.1	P142 I143 F144 G150	P142-Q146 WeakPolarHBondContact O-CG 3.39Å; P142-Q146 PolarHBondContact O-N 2.85Å; I143-Q146 PolarHBondContact O-N 3.17Å; F144-Q146 PolarHBondContact O-N 2.81Å; Q146-G150 PolarHBondContact O-N 2.95Å
147	V	98.4	Very high	97.4	Very high	75 Å²	75	63.1 Å²	63.1	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-45.6	177.3	176.3	0	0	0	0	111.1	I143 F144 H145 Y149 G150 M151	I143-V147 HydrophobicContact CG2-CG2 4.41Å; I143-V147 WeakPolarHBondContact O-CG2 3.27Å; I143-V147 PolarHBondContact O-N 3.37Å; F144-V147 PolarHBondContact O-N 2.92Å; H145-V147 VanDerWaalsContact C-N 3.32Å; H145-V147 PolarHBondContact O-N 2.73Å; V147-Y149 PolarHBondContact O-N 3.39Å; V147-G150 PolarHBondContact O-N 3.34Å; V147-M151 HydrophobicContact CG1-CE 4.49Å; V147-M151 WeakPolarHBondContact O-CG 3.39Å; V147-M151 PolarHBondContact O-N 3.29Å
148	M	98.6	Very high	97.4	Very high	32 Å²	32	63.8 Å²	63.8	16%	0.158	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-43.2	179.1	-65.4	-57.9	112.2	0	0	112.1	I97 F128 V132 F144 H145 M151 L152	I97-M148 HydrophobicContact CD1-CB 4.33Å; F128-M148 HydrophobicContact CE2-SD 4.42Å; F128-M148 HydrophobicContact CZ-CB 4.29Å; F128-M148 HydrophobicContact CZ-SD 4.35Å; V132-M148 HydrophobicContact CG1-CB 4.08Å; V132-M148 HydrophobicContact CG1-CG 4.19Å; V132-M148 HydrophobicContact CG2-CB 3.97Å; V132-M148 HydrophobicContact CG2-CG 3.81Å; V132-M148 HydrophobicContact CG2-SD 4.18Å; F144-M148 HydrophobicContact CD1-CG 4.43Å; F144-M148 HydrophobicContact CD2-CE 4.2Å; F144-M148 HydrophobicContact CD2-CG 4.18Å; F144-M148 HydrophobicContact CE1-CG 4.02Å; F144-M148 HydrophobicContact CE2-CE 3.87Å; F144-M148 HydrophobicContact CE2-CG 3.75Å; F144-M148 HydrophobicContact CE2-SD 3.97Å; F144-M148 HydrophobicContact CZ-CG 3.66Å; F144-M148 HydrophobicContact CZ-SD 4.15Å; F144-M148 VanDerWaalsContact O-CG 3.28Å; F144-M148 WeakPolarHBondContact O-CG 3.38Å; F144-M148 PolarHBondContact O-N 2.97Å; H145-M148 PolarHBondContact O-N 3.15Å; H145-M148 VanDerWaalsContact O-N 3.16Å; M148-M151 HydrophobicContact CE-CE 3.21Å; M148-M151 HydrophobicContact CG-CE 4.47Å; M148-M151 PolarHBondContact O-N 3.38Å; M148-M151 HydrophobicContact SD-CE 3.28Å; M148-M151 WeakPolarHBondContact SD-CE 3.17Å; M148-L152 PolarHBondContact O-N 2.99Å
149	Y	98.6	Very high	97.5	Very high	33 Å²	33	57.7 Å²	57.7	13%	0.129	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-45.7	174.1	178.7	-112.3	0	0	0	111.5	M96 I97 C100 H145 V147 M151 L152 V153 F182	M96-Y149 HydrophobicContact CB-CD2 4Å; M96-Y149 HydrophobicContact CB-CE2 3.93Å; M96-Y149 HydrophobicContact CE-CD1 3.93Å; M96-Y149 HydrophobicContact CE-CD2 4.34Å; M96-Y149 HydrophobicContact CE-CE1 3.63Å; M96-Y149 HydrophobicContact CE-CE2 4.08Å; M96-Y149 HydrophobicContact CE-CG 4.26Å; I97-Y149 HydrophobicContact CD1-CD2 4.34Å; C100-Y149 HydrophobicContact CB-CD2 4.47Å; C100-Y149 HydrophobicContact CB-CE2 4.16Å; H145-Y149 WeakPolarHBondContact O-CB 3.33Å; H145-Y149 PolarHBondContact O-N 3.4Å; V147-Y149 PolarHBondContact O-N 3.39Å; Y149-M151 VanDerWaalsContact C-N 3.3Å; Y149-M151 PolarHBondContact O-N 3.38Å; Y149-L152 PolarHBondContact O-N 3.01Å; Y149-L152 VanDerWaalsContact O-N 3.11Å; Y149-V153 HydrophobicContact CD1-CG2 4.19Å; Y149-V153 HydrophobicContact CD2-CG2 4.31Å; Y149-V153 HydrophobicContact CE1-CG2 3.76Å; Y149-V153 HydrophobicContact CE2-CG2 3.87Å; Y149-V153 HydrophobicContact CG-CG2 4.46Å; Y149-V153 WeakPolarHBondContact O-CG2 3.5Å; Y149-V153 PolarHBondContact O-N 2.82Å; Y149-F182 HydrophobicContact CE1-CZ 4.3Å
150	G	98.3	Very high	97.6	Very high	35 Å²	35	54.4 Å²	54.4	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-57.1	-39.6	177.6	0	0	0	0	0	113.2	Q146 V147 V153 F154	Q146-G150 PolarHBondContact O-N 2.95Å; V147-G150 PolarHBondContact O-N 3.34Å; G150-V153 PolarHBondContact O-N 2.69Å; G150-F154 VanDerWaalsContact O-CB 3.28Å; G150-F154 WeakPolarHBondContact O-CB 3.44Å; G150-F154 PolarHBondContact O-N 3.39Å
151	M	98.4	Very high	97.8	Very high	87 Å²	87	52.8 Å²	52.8	43%	0.429	28%	0.276	S	S	.	.	H	α-helix	trans	-66	-39.3	175.4	-71.2	-171.6	-62.3	0	0	113.2	V147 M148 Y149 F154 T155	V147-M151 HydrophobicContact CG1-CE 4.49Å; V147-M151 WeakPolarHBondContact O-CG 3.39Å; V147-M151 PolarHBondContact O-N 3.29Å; M148-M151 HydrophobicContact CE-CE 3.21Å; M148-M151 HydrophobicContact CG-CE 4.47Å; M148-M151 PolarHBondContact O-N 3.38Å; M148-M151 HydrophobicContact SD-CE 3.28Å; M148-M151 WeakPolarHBondContact SD-CE 3.17Å; Y149-M151 VanDerWaalsContact C-N 3.3Å; Y149-M151 PolarHBondContact O-N 3.38Å; M151-F154 PolarHBondContact O-N 3.2Å; M151-T155 PolarHBondContact O-N 3.17Å; M151-T155 PolarHBondContact O-OG1 2.97Å
152	L	98.7	Very high	98	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-47	174.4	-76.9	176.7	0	0	0	111	I97 C100 V104 F128 M148 Y149 F154 T155 L156	I97-L152 HydrophobicContact CD1-CD1 4.45Å; I97-L152 HydrophobicContact CG2-CD1 4.04Å; C100-L152 HydrophobicContact CB-CB 4.14Å; C100-L152 HydrophobicContact CB-CD1 4Å; C100-L152 VanDerWaalsContact SG-CB 3.58Å; V104-L152 HydrophobicContact CG2-CD2 4.31Å; F128-L152 HydrophobicContact CD1-CD1 4.27Å; F128-L152 HydrophobicContact CD1-CD2 4.31Å; F128-L152 HydrophobicContact CD1-CG 4.49Å; F128-L152 HydrophobicContact CE1-CD1 3.61Å; F128-L152 HydrophobicContact CE1-CD2 4Å; F128-L152 HydrophobicContact CE1-CG 3.74Å; F128-L152 HydrophobicContact CZ-CD1 4.43Å; F128-L152 HydrophobicContact CZ-CD2 4.49Å; F128-L152 HydrophobicContact CZ-CG 4.15Å; M148-L152 PolarHBondContact O-N 2.99Å; Y149-L152 PolarHBondContact O-N 3.01Å; Y149-L152 VanDerWaalsContact O-N 3.11Å; L152-F154 VanDerWaalsContact C-N 3.34Å; L152-F154 PolarHBondContact O-N 3.34Å; L152-T155 WeakPolarHBondContact O-CB 3.33Å; L152-T155 PolarHBondContact O-N 3.34Å; L152-L156 PolarHBondContact O-N 2.86Å
153	V	98.6	Very high	98.3	Very high	27 Å²	27	51.7 Å²	51.7	16%	0.164	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-44.7	176.5	173.8	0	0	0	0	110.7	Y149 G150 T155 L156 V157 F182	Y149-V153 HydrophobicContact CD1-CG2 4.19Å; Y149-V153 HydrophobicContact CD2-CG2 4.31Å; Y149-V153 HydrophobicContact CE1-CG2 3.76Å; Y149-V153 HydrophobicContact CE2-CG2 3.87Å; Y149-V153 HydrophobicContact CG-CG2 4.46Å; Y149-V153 WeakPolarHBondContact O-CG2 3.5Å; Y149-V153 PolarHBondContact O-N 2.82Å; G150-V153 PolarHBondContact O-N 2.69Å; V153-T155 VanDerWaalsContact C-N 3.33Å; V153-T155 PolarHBondContact O-N 2.89Å; V153-L156 WeakPolarHBondContact O-CA 3.37Å; V153-L156 VanDerWaalsContact O-CB 3.3Å; V153-L156 WeakPolarHBondContact O-CB 3.32Å; V153-L156 PolarHBondContact O-N 3.42Å; V153-L156 VanDerWaalsContact O-N 3.11Å; V153-V157 HydrophobicContact CG1-CG2 4.31Å; V153-V157 WeakPolarHBondContact O-CG2 3.37Å; V153-V157 PolarHBondContact O-N 2.89Å; V153-F182 HydrophobicContact CG1-CE1 4.1Å; V153-F182 HydrophobicContact CG1-CZ 4.42Å; V153-F182 HydrophobicContact CG2-CZ 4.37Å
154	F	98.4	Very high	98.3	Very high	128 Å²	128	46.9 Å²	46.9	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-59	-44.1	177.1	-179.8	-107.1	0	0	0	112	G150 M151 L152 L156 V157 L158	G150-F154 VanDerWaalsContact O-CB 3.28Å; G150-F154 WeakPolarHBondContact O-CB 3.44Å; G150-F154 PolarHBondContact O-N 3.39Å; M151-F154 PolarHBondContact O-N 3.2Å; L152-F154 VanDerWaalsContact C-N 3.34Å; L152-F154 PolarHBondContact O-N 3.34Å; F154-L156 VanDerWaalsContact C-N 3.3Å; F154-L156 PolarHBondContact O-N 3.38Å; F154-V157 PolarHBondContact O-N 3.19Å; F154-L158 HydrophobicContact CD1-CD1 4.02Å; F154-L158 HydrophobicContact CD1-CG 4.39Å; F154-L158 HydrophobicContact CE1-CD1 3.45Å; F154-L158 VanDerWaalsContact CE1-CD1 3.45Å; F154-L158 HydrophobicContact CE1-CG 4.01Å; F154-L158 HydrophobicContact CE2-CD2 4.33Å; F154-L158 HydrophobicContact CE2-CG 4.34Å; F154-L158 HydrophobicContact CZ-CD1 3.78Å; F154-L158 HydrophobicContact CZ-CD2 4.04Å; F154-L158 HydrophobicContact CZ-CG 3.98Å; F154-L158 WeakPolarHBondContact O-CG 3.35Å; F154-L158 PolarHBondContact O-N 2.86Å
155	T	98.5	Very high	98.3	Very high	54 Å²	54	46.6 Å²	46.6	33%	0.331	24%	0.243	S	C	.	.	H	α-helix	trans	-59.7	-42.1	175.1	-57.6	0	0	0	0	111.5	F108 M151 L152 V153 L158 R159	F108-T155 HydrophobicContact CE2-CG2 3.98Å; F108-T155 HydrophobicContact CZ-CG2 4.09Å; M151-T155 PolarHBondContact O-N 3.17Å; M151-T155 PolarHBondContact O-OG1 2.97Å; L152-T155 WeakPolarHBondContact O-CB 3.33Å; L152-T155 PolarHBondContact O-N 3.34Å; V153-T155 VanDerWaalsContact C-N 3.33Å; V153-T155 PolarHBondContact O-N 2.89Å; T155-L158 PolarHBondContact O-N 3.24Å; T155-R159 WeakPolarHBondContact O-CB 3.44Å; T155-R159 PolarHBondContact O-N 2.88Å
156	L	98.3	Very high	98.3	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-40.8	177.1	-160.5	70.4	0	0	0	112	F103 V104 M107 L152 V153 F154 R159 S160 H231	F103-L156 HydrophobicContact CB-CD1 3.86Å; F103-L156 HydrophobicContact CB-CD2 3.99Å; F103-L156 HydrophobicContact CD2-CD2 4.29Å; V104-L156 HydrophobicContact CG2-CD1 3.99Å; M107-L156 HydrophobicContact CB-CD1 4.04Å; M107-L156 HydrophobicContact CG-CD1 3.57Å; L152-L156 PolarHBondContact O-N 2.86Å; V153-L156 WeakPolarHBondContact O-CA 3.37Å; V153-L156 VanDerWaalsContact O-CB 3.3Å; V153-L156 WeakPolarHBondContact O-CB 3.32Å; V153-L156 PolarHBondContact O-N 3.42Å; V153-L156 VanDerWaalsContact O-N 3.11Å; F154-L156 VanDerWaalsContact C-N 3.3Å; F154-L156 PolarHBondContact O-N 3.38Å; L156-R159 PolarHBondContact O-N 2.91Å; L156-S160 WeakPolarHBondContact O-CB 3.25Å; L156-S160 PolarHBondContact O-N 3.2Å; L156-S160 PolarHBondContact O-OG 3.17Å; L156-H231 WeakPolarHBondContact CD1-NE2 3.42Å; L156-H231 WeakPolarHBondContact CD2-NE2 3.39Å; L156-H231 VanDerWaalsContact CG-CE1 3.5Å; L156-H231 WeakPolarHBondContact CG-CE1 3.26Å; L156-H231 WeakPolarHBondContact CG-NE2 3.37Å
157	V	98.4	Very high	98.4	Very high	36 Å²	36	54.9 Å²	54.9	22%	0.218	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-49	176.3	170.5	0	0	0	0	110.8	V153 F154 R159 S160 I161 L179	V153-V157 HydrophobicContact CG1-CG2 4.31Å; V153-V157 WeakPolarHBondContact O-CG2 3.37Å; V153-V157 PolarHBondContact O-N 2.89Å; F154-V157 PolarHBondContact O-N 3.19Å; V157-R159 VanDerWaalsContact C-N 3.3Å; V157-R159 PolarHBondContact O-N 2.49Å; V157-S160 WeakPolarHBondContact O-CB 3.49Å; V157-S160 PolarHBondContact O-N 3.26Å; V157-S160 VanDerWaalsContact O-N 3.09Å; V157-I161 HydrophobicContact CG1-CD1 3.73Å; V157-I161 HydrophobicContact CG1-CG1 4.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.39Å; V157-I161 PolarHBondContact O-N 3.34Å; V157-L179 HydrophobicContact CG1-CD1 4.16Å; V157-L179 HydrophobicContact CG1-CD2 4.28Å; V157-L179 HydrophobicContact CG2-CD1 3.8Å
158	L	98.6	Very high	98.3	Very high	91 Å²	91	53.8 Å²	53.8	48%	0.476	27%	0.265	S	S	.	.	H	α-helix	trans	-56.8	-45.3	176.8	-71.4	-177.3	0	0	0	111.6	F154 T155 S160 I161 Y162	F154-L158 HydrophobicContact CD1-CD1 4.02Å; F154-L158 HydrophobicContact CD1-CG 4.39Å; F154-L158 HydrophobicContact CE1-CD1 3.45Å; F154-L158 VanDerWaalsContact CE1-CD1 3.45Å; F154-L158 HydrophobicContact CE1-CG 4.01Å; F154-L158 HydrophobicContact CE2-CD2 4.33Å; F154-L158 HydrophobicContact CE2-CG 4.34Å; F154-L158 HydrophobicContact CZ-CD1 3.78Å; F154-L158 HydrophobicContact CZ-CD2 4.04Å; F154-L158 HydrophobicContact CZ-CG 3.98Å; F154-L158 WeakPolarHBondContact O-CG 3.35Å; F154-L158 PolarHBondContact O-N 2.86Å; T155-L158 PolarHBondContact O-N 3.24Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 2.77Å; L158-I161 PolarHBondContact O-N 2.92Å; L158-Y162 PolarHBondContact O-N 3.49Å
159	R	98.6	Very high	98.1	Very high	43 Å²	43	55.3 Å²	55.3	16%	0.162	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-38.6	177.4	-175.9	56.6	178.6	179.5	-2.4	112	M107 F108 T155 L156 V157 Y162 I163	M107-R159 HydrophobicContact CB-CG 3.92Å; M107-R159 HydrophobicContact CE-CG 4.19Å; M107-R159 PolarHBondContact O-NE 3.29Å; F108-R159 HydrophobicContact CD2-CB 4.5Å; F108-R159 HydrophobicContact CD2-CG 4.05Å; F108-R159 HydrophobicContact CE2-CB 3.87Å; F108-R159 HydrophobicContact CE2-CG 3.88Å; F108-R159 HydrophobicContact CZ-CB 4.24Å; F108-R159 HydrophobicContact CZ-CG 4.33Å; T155-R159 WeakPolarHBondContact O-CB 3.44Å; T155-R159 PolarHBondContact O-N 2.88Å; L156-R159 PolarHBondContact O-N 2.91Å; V157-R159 VanDerWaalsContact C-N 3.3Å; V157-R159 PolarHBondContact O-N 2.49Å; R159-Y162 PolarHBondContact O-N 3.41Å; R159-I163 HydrophobicContact CG-CD1 4.25Å; R159-I163 WeakPolarHBondContact O-CD1 3.36Å; R159-I163 WeakPolarHBondContact O-CG1 3.32Å; R159-I163 PolarHBondContact O-N 3.46Å; R159-I163 VanDerWaalsContact O-N 3.15Å
160	S	98.3	Very high	97.8	Very high	16 Å²	16	64.2 Å²	64.2	11%	0.112	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-45.4	177.2	-57.5	0	0	0	0	112	L156 V157 L158 Y162 I163 V164 H231	L156-S160 WeakPolarHBondContact O-CB 3.25Å; L156-S160 PolarHBondContact O-N 3.2Å; L156-S160 PolarHBondContact O-OG 3.17Å; V157-S160 WeakPolarHBondContact O-CB 3.49Å; V157-S160 PolarHBondContact O-N 3.26Å; V157-S160 VanDerWaalsContact O-N 3.09Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 2.77Å; S160-Y162 VanDerWaalsContact C-N 3.32Å; S160-Y162 PolarHBondContact O-N 2.81Å; S160-I163 PolarHBondContact O-N 3.46Å; S160-I163 VanDerWaalsContact O-N 3.16Å; S160-V164 WeakPolarHBondContact O-CG2 3.33Å; S160-V164 PolarHBondContact O-N 3.36Å; S160-H231 PolarHBondContact OG-CE1 3.39Å
161	I	98.4	Very high	97.7	Very high	64 Å²	64	62.8 Å²	62.8	33%	0.328	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-45.3	175.3	-69.6	170.5	0	0	0	110.2	V157 L158 I163 V164 T165	V157-I161 HydrophobicContact CG1-CD1 3.73Å; V157-I161 HydrophobicContact CG1-CG1 4.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.39Å; V157-I161 PolarHBondContact O-N 3.34Å; L158-I161 PolarHBondContact O-N 2.92Å; I161-I163 VanDerWaalsContact C-N 3.32Å; I161-I163 PolarHBondContact O-N 2.9Å; I161-V164 WeakPolarHBondContact O-CG2 3.47Å; I161-V164 PolarHBondContact O-N 3.43Å; I161-T165 WeakPolarHBondContact O-CB 3.41Å; I161-T165 PolarHBondContact O-N 2.77Å; I161-T165 PolarHBondContact O-OG1 3.01Å
162	Y	98.6	Very high	97.5	Very high	105 Å²	105	64.4 Å²	64.4	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-55.4	-47.8	175.6	167.9	-96.8	0	0	0	111.5	L158 R159 S160 T165 W166 V167	L158-Y162 PolarHBondContact O-N 3.49Å; R159-Y162 PolarHBondContact O-N 3.41Å; S160-Y162 VanDerWaalsContact C-N 3.32Å; S160-Y162 PolarHBondContact O-N 2.81Å; Y162-T165 PolarHBondContact O-N 3.33Å; Y162-W166 HydrophobicContact CD2-CB 4.35Å; Y162-W166 AromaticContact CD2-CD1 3.6Å; Y162-W166 HydrophobicContact CD2-CG 4.2Å; Y162-W166 HydrophobicContact CE2-CB 4.12Å; Y162-W166 HydrophobicContact CE2-CG 4.24Å; Y162-W166 WeakPolarHBondContact O-CB 3.12Å; Y162-W166 PolarHBondContact O-N 3.1Å; Y162-V167 HydrophobicContact CE1-CG2 3.87Å
163	I	98.4	Very high	97.4	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.318	C	S	.	.	I	π-helix	trans	-63.4	-48.1	-178.7	-70.8	160.9	0	0	0	111.6	M107 F111 R159 S160 I161 T165 V167 Y168 F234 T238	M107-I163 HydrophobicContact CE-CD1 3.26Å; F111-I163 HydrophobicContact CE2-CD1 4.31Å; F111-I163 HydrophobicContact CE2-CG1 3.88Å; F111-I163 HydrophobicContact CZ-CD1 4.34Å; F111-I163 HydrophobicContact CZ-CG1 3.88Å; F111-I163 HydrophobicContact CZ-CG2 4.38Å; R159-I163 HydrophobicContact CG-CD1 4.25Å; R159-I163 WeakPolarHBondContact O-CD1 3.36Å; R159-I163 WeakPolarHBondContact O-CG1 3.32Å; R159-I163 PolarHBondContact O-N 3.46Å; R159-I163 VanDerWaalsContact O-N 3.15Å; S160-I163 PolarHBondContact O-N 3.46Å; S160-I163 VanDerWaalsContact O-N 3.16Å; I161-I163 VanDerWaalsContact C-N 3.32Å; I161-I163 PolarHBondContact O-N 2.9Å; I163-T165 VanDerWaalsContact C-N 3.26Å; I163-T165 PolarHBondContact O-N 3.35Å; I163-V167 PolarHBondContact O-N 3.22Å; I163-Y168 HydrophobicContact CG2-CD2 4.35Å; I163-Y168 PolarHBondContact O-N 3.38Å; I163-F234 HydrophobicContact CB-CZ 4.1Å; I163-F234 HydrophobicContact CG2-CE2 4.34Å; I163-F234 HydrophobicContact CG2-CZ 3.84Å; I163-T238 HydrophobicContact CD1-CG2 4.25Å; I163-T238 HydrophobicContact CG2-CG2 3.93Å
164	V	98	Very high	97.3	Very high	3 Å²	3	67 Å²	67	2%	0.018	32%	0.321	C	S	.	.	I	π-helix	trans	-74.3	-16.3	-178.1	-59.4	0	0	0	0	113.8	S160 I161 P169 L171 R172 Y176 F234	S160-V164 WeakPolarHBondContact O-CG2 3.33Å; S160-V164 PolarHBondContact O-N 3.36Å; I161-V164 WeakPolarHBondContact O-CG2 3.47Å; I161-V164 PolarHBondContact O-N 3.43Å; V164-P169 VanDerWaalsContact O-CA 3.31Å; V164-P169 WeakPolarHBondContact O-CA 3.31Å; V164-L171 HydrophobicContact CG1-CB 4.3Å; V164-R172 HydrophobicContact CB-CG 3.93Å; V164-R172 HydrophobicContact CG2-CG 4.45Å; V164-R172 PolarHBondContact O-NE 3.14Å; V164-Y176 HydrophobicContact CG2-CE2 4.24Å; V164-F234 HydrophobicContact CG1-CE2 3.46Å; V164-F234 VanDerWaalsContact CG1-CE2 3.46Å; V164-F234 HydrophobicContact CG1-CZ 3.67Å
165	T	97.8	Very high	97.2	Very high	52 Å²	52	61.4 Å²	61.4	32%	0.319	30%	0.3	S	S	.	.	I	π-helix	trans	-92.2	-45.3	179.3	-54.5	0	0	0	0	111.2	I161 Y162 I163	I161-T165 WeakPolarHBondContact O-CB 3.41Å; I161-T165 PolarHBondContact O-N 2.77Å; I161-T165 PolarHBondContact O-OG1 3.01Å; Y162-T165 PolarHBondContact O-N 3.33Å; I163-T165 VanDerWaalsContact C-N 3.26Å; I163-T165 PolarHBondContact O-N 3.35Å
166	W	97.9	Very high	97.1	Very high	197 Å²	197	63.9 Å²	63.9	75%	0.746	30%	0.304	S	S	*	.	I	π-helix	trans	-110.7	-21.3	-167	-60.2	101.4	0	0	0	114.9	Y162	Y162-W166 HydrophobicContact CD2-CB 4.35Å; Y162-W166 AromaticContact CD2-CD1 3.6Å; Y162-W166 HydrophobicContact CD2-CG 4.2Å; Y162-W166 HydrophobicContact CE2-CB 4.12Å; Y162-W166 HydrophobicContact CE2-CG 4.24Å; Y162-W166 WeakPolarHBondContact O-CB 3.12Å; Y162-W166 PolarHBondContact O-N 3.1Å
167	V	97.4	Very high	97.1	Very high	49 Å²	49	66.9 Å²	66.9	30%	0.297	32%	0.322	S	S	.	.	I	π-helix	trans	-115.4	-59.3	-172.1	-169.9	0	0	0	0	112.1	F111 Y162 I163	F111-V167 HydrophobicContact CE1-CG1 3.9Å; F111-V167 HydrophobicContact CE2-CG1 4.39Å; F111-V167 HydrophobicContact CE2-CG2 4.18Å; F111-V167 HydrophobicContact CZ-CB 4.09Å; F111-V167 HydrophobicContact CZ-CG1 3.64Å; F111-V167 HydrophobicContact CZ-CG2 4.12Å; Y162-V167 HydrophobicContact CE1-CG2 3.87Å; I163-V167 PolarHBondContact O-N 3.22Å
168	Y	96.4	Very high	97.1	Very high	52 Å²	52	65.6 Å²	65.6	20%	0.204	32%	0.315	C	S	.	.			trans	-129.4	78.7	-177	-60.1	-45.4	0	0	0	112.3	F111 I163 W170 L171 T238 L241 Y242	F111-Y168 HydrophobicContact CE1-CD2 4.35Å; F111-Y168 AromaticContact CE1-CE2 3.63Å; F111-Y168 HydrophobicContact CE1-CE2 3.63Å; F111-Y168 HydrophobicContact CZ-CE2 4.27Å; I163-Y168 HydrophobicContact CG2-CD2 4.35Å; I163-Y168 PolarHBondContact O-N 3.38Å; Y168-W170 PolarHBondContact O-N 3.3Å; Y168-W170 VanDerWaalsContact O-N 3.11Å; Y168-L171 HydrophobicContact CD2-CD1 4.34Å; Y168-L171 PolarHBondContact O-N 3.02Å; Y168-T238 HydrophobicContact CD2-CG2 3.98Å; Y168-T238 HydrophobicContact CE2-CG2 3.99Å; Y168-L241 HydrophobicContact CD1-CD1 4.16Å; Y168-L241 HydrophobicContact CD2-CB 4.32Å; Y168-L241 HydrophobicContact CD2-CD1 3.92Å; Y168-L241 HydrophobicContact CE1-CB 4.19Å; Y168-L241 HydrophobicContact CE2-CB 3.79Å; Y168-L241 HydrophobicContact CE2-CD1 4.25Å; Y168-L241 HydrophobicContact CG-CD1 3.88Å; Y168-Y242 WeakPolarHBondContact OH-CA 3.34Å; Y168-Y242 PolarHBondContact OH-N 2.69Å
169	P	95.8	Very high	97.1	Very high	64 Å²	64	63.4 Å²	63.4	42%	0.416	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-58.4	-23.6	176.7	-24.8	35	0	0	0	114.7	V164 L171 R172	V164-P169 VanDerWaalsContact O-CA 3.31Å; V164-P169 WeakPolarHBondContact O-CA 3.31Å; P169-L171 PolarHBondContact O-N 3.36Å; P169-R172 WeakPolarHBondContact O-CB 3.29Å; P169-R172 WeakPolarHBondContact O-CD 3.47Å; P169-R172 WeakPolarHBondContact O-CG 3.36Å; P169-R172 PolarHBondContact O-N 3.33Å; P169-R172 VanDerWaalsContact O-N 3.14Å
170	W	91.9	Very high	97	Very high	221 Å²	221	63.1 Å²	63.1	84%	0.837	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.4	-28	174.9	-175.1	-97.8	0	0	0	113.1	Y168 R172	Y168-W170 PolarHBondContact O-N 3.3Å; Y168-W170 VanDerWaalsContact O-N 3.11Å; W170-R172 VanDerWaalsContact C-N 3.26Å; W170-R172 PolarHBondContact O-N 3.34Å
171	L	95.6	Very high	97	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-83.8	4.7	-179.6	-61	180	0	0	0	113.6	V164 Y168 P169 G173 L174 G175 F234 Y237 T238 L241	V164-L171 HydrophobicContact CG1-CB 4.3Å; Y168-L171 HydrophobicContact CD2-CD1 4.34Å; Y168-L171 PolarHBondContact O-N 3.02Å; P169-L171 PolarHBondContact O-N 3.36Å; L171-G173 VanDerWaalsContact C-N 3.34Å; L171-G173 PolarHBondContact O-N 3.03Å; L171-L174 PolarHBondContact O-N 3.25Å; L171-G175 PolarHBondContact O-N 3.1Å; L171-F234 HydrophobicContact CB-CD2 3.93Å; L171-F234 HydrophobicContact CB-CE2 3.66Å; L171-F234 HydrophobicContact CD1-CD2 4.08Å; L171-F234 HydrophobicContact CD1-CE2 3.9Å; L171-F234 HydrophobicContact CG-CE2 4.43Å; L171-Y237 HydrophobicContact CD2-CD1 4.23Å; L171-Y237 HydrophobicContact CD2-CD2 3.84Å; L171-Y237 HydrophobicContact CD2-CE2 4.34Å; L171-Y237 HydrophobicContact CD2-CG 3.79Å; L171-T238 VanDerWaalsContact CD1-OG1 3.3Å; L171-T238 WeakPolarHBondContact CD1-OG1 3.35Å; L171-L241 HydrophobicContact CD1-CD1 4.05Å; L171-L241 HydrophobicContact CD2-CD1 4.38Å; L171-L241 HydrophobicContact CG-CD1 4.22Å
172	R	95.7	Very high	97	Very high	120 Å²	120	62.1 Å²	62.1	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-55	-45.1	-179.6	-80.2	174.3	-174.9	-170.1	3.7	113	V164 P169 W170 G175 Y176	V164-R172 HydrophobicContact CB-CG 3.93Å; V164-R172 HydrophobicContact CG2-CG 4.45Å; V164-R172 PolarHBondContact O-NE 3.14Å; P169-R172 WeakPolarHBondContact O-CB 3.29Å; P169-R172 WeakPolarHBondContact O-CD 3.47Å; P169-R172 WeakPolarHBondContact O-CG 3.36Å; P169-R172 PolarHBondContact O-N 3.33Å; P169-R172 VanDerWaalsContact O-N 3.14Å; W170-R172 VanDerWaalsContact C-N 3.26Å; W170-R172 PolarHBondContact O-N 3.34Å; R172-G175 PolarHBondContact O-N 3.06Å; R172-Y176 HydrophobicContact CB-CD2 4Å; R172-Y176 HydrophobicContact CB-CE2 4.1Å; R172-Y176 HydrophobicContact CG-CD2 4.32Å; R172-Y176 HydrophobicContact CG-CE2 3.91Å; R172-Y176 WeakPolarHBondContact O-CB 3.2Å; R172-Y176 WeakPolarHBondContact O-CD2 3.28Å; R172-Y176 PolarHBondContact O-N 3.34Å
173	G	95.8	Very high	97	Very high	51 Å²	51	61.7 Å²	61.7	53%	0.526	31%	0.311	S	S	.	.	H	α-helix	trans	-56.7	-56.1	179	0	0	0	0	0	111.3	L171 G175 T177	L171-G173 VanDerWaalsContact C-N 3.34Å; L171-G173 PolarHBondContact O-N 3.03Å; G173-G175 PolarHBondContact O-N 3.02Å; G173-T177 VanDerWaalsContact O-CB 3.25Å; G173-T177 WeakPolarHBondContact O-CB 3.21Å; G173-T177 PolarHBondContact O-N 2.64Å; G173-T177 PolarHBondContact O-OG1 3.44Å
174	L	95.5	Very high	97	Very high	42 Å²	42	65.2 Å²	65.2	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-45.7	179.7	-178.7	60.8	0	0	0	112.7	L171 S178 L230 L233 F234 Y237	L171-L174 PolarHBondContact O-N 3.25Å; L174-S178 WeakPolarHBondContact O-CB 3.5Å; L174-S178 PolarHBondContact O-N 3.27Å; L174-L230 HydrophobicContact CD1-CB 4.13Å; L174-L230 HydrophobicContact CD1-CD2 3.96Å; L174-L230 HydrophobicContact CD1-CG 4.47Å; L174-L233 HydrophobicContact CD2-CB 4.29Å; L174-F234 HydrophobicContact CD2-CB 3.96Å; L174-F234 HydrophobicContact CG-CB 4.09Å; L174-Y237 HydrophobicContact CD2-CD1 4.31Å
175	G	96.4	Very high	97.1	Very high	12 Å²	12	65 Å²	65	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-47.1	-178.4	0	0	0	0	0	113.1	L171 R172 G173 S178 L179	L171-G175 PolarHBondContact O-N 3.1Å; R172-G175 PolarHBondContact O-N 3.06Å; G173-G175 PolarHBondContact O-N 3.02Å; G175-S178 PolarHBondContact O-N 3.05Å; G175-L179 PolarHBondContact O-N 2.81Å; G175-L179 VanDerWaalsContact O-N 3.1Å
176	Y	97.5	Very high	97.1	Very high	106 Å²	106	67.2 Å²	67.2	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-75.3	-30.5	179.1	-69.9	-55.3	0	0	0	113	V164 R172 L179 G180	V164-Y176 HydrophobicContact CG2-CE2 4.24Å; R172-Y176 HydrophobicContact CB-CD2 4Å; R172-Y176 HydrophobicContact CB-CE2 4.1Å; R172-Y176 HydrophobicContact CG-CD2 4.32Å; R172-Y176 HydrophobicContact CG-CE2 3.91Å; R172-Y176 WeakPolarHBondContact O-CB 3.2Å; R172-Y176 WeakPolarHBondContact O-CD2 3.28Å; R172-Y176 PolarHBondContact O-N 3.34Å; Y176-L179 HydrophobicContact CD1-CD2 4.47Å; Y176-L179 PolarHBondContact O-N 2.75Å; Y176-G180 PolarHBondContact O-N 3.14Å
177	T	97.8	Very high	97.1	Very high	75 Å²	75	62.2 Å²	62.2	46%	0.46	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-46.8	170.4	-64.1	0	0	0	0	110.7	G173 L179 G180 I181 L230	G173-T177 VanDerWaalsContact O-CB 3.25Å; G173-T177 WeakPolarHBondContact O-CB 3.21Å; G173-T177 PolarHBondContact O-N 2.64Å; G173-T177 PolarHBondContact O-OG1 3.44Å; T177-L179 VanDerWaalsContact C-N 3.34Å; T177-L179 PolarHBondContact O-N 3.33Å; T177-G180 PolarHBondContact O-N 3.16Å; T177-I181 HydrophobicContact CG2-CG2 4.46Å; T177-I181 WeakPolarHBondContact O-CG1 3.48Å; T177-I181 PolarHBondContact O-N 2.72Å; T177-L230 HydrophobicContact CG2-CD1 3.88Å
178	S	98.1	Very high	97.1	Very high	10 Å²	10	62 Å²	62	7%	0.07	32%	0.316	C	S	.	.	H	α-helix	trans	-55.2	-47.8	175.1	171.7	0	0	0	0	111.7	L174 G175 I181 F182 G227 H231	L174-S178 WeakPolarHBondContact O-CB 3.5Å; L174-S178 PolarHBondContact O-N 3.27Å; G175-S178 PolarHBondContact O-N 3.05Å; S178-I181 WeakPolarHBondContact O-CG1 3.34Å; S178-F182 WeakPolarHBondContact O-CB 3.28Å; S178-F182 PolarHBondContact O-N 3.25Å; S178-G227 PolarHBondContact OG-O 3.28Å; S178-H231 PolarHBondContact OG-N 2.95Å
179	L	98	Very high	97.2	Very high	44 Å²	44	60.9 Å²	60.9	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-47.6	177.3	178.8	59.7	0	0	0	112.4	V157 G175 Y176 T177 I181 F182 L183	V157-L179 HydrophobicContact CG1-CD1 4.16Å; V157-L179 HydrophobicContact CG1-CD2 4.28Å; V157-L179 HydrophobicContact CG2-CD1 3.8Å; G175-L179 PolarHBondContact O-N 2.81Å; G175-L179 VanDerWaalsContact O-N 3.1Å; Y176-L179 HydrophobicContact CD1-CD2 4.47Å; Y176-L179 PolarHBondContact O-N 2.75Å; T177-L179 VanDerWaalsContact C-N 3.34Å; T177-L179 PolarHBondContact O-N 3.33Å; L179-I181 PolarHBondContact O-N 3.02Å; L179-F182 PolarHBondContact O-N 3.2Å; L179-L183 HydrophobicContact CD1-CD1 3.88Å; L179-L183 HydrophobicContact CD1-CG 4Å; L179-L183 HydrophobicContact CG-CD1 3.95Å; L179-L183 HydrophobicContact CG-CG 4.44Å; L179-L183 WeakPolarHBondContact O-CG 3.35Å; L179-L183 PolarHBondContact O-N 3.13Å
180	G	98.5	Very high	97.3	Very high	38 Å²	38	60.2 Å²	60.2	39%	0.392	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-45.5	-176.1	0	0	0	0	0	112.7	Y176 T177 L183 L184	Y176-G180 PolarHBondContact O-N 3.14Å; T177-G180 PolarHBondContact O-N 3.16Å; G180-L183 PolarHBondContact O-N 2.93Å; G180-L184 WeakPolarHBondContact O-CB 3.32Å; G180-L184 PolarHBondContact O-N 2.67Å
181	I	98.2	Very high	97.6	Very high	31 Å²	31	51.9 Å²	51.9	16%	0.159	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-35.7	178	67.8	-177.2	0	0	0	111.8	T177 S178 L179 L184 G185 L223 L226 L230	T177-I181 HydrophobicContact CG2-CG2 4.46Å; T177-I181 WeakPolarHBondContact O-CG1 3.48Å; T177-I181 PolarHBondContact O-N 2.72Å; S178-I181 WeakPolarHBondContact O-CG1 3.34Å; L179-I181 PolarHBondContact O-N 3.02Å; I181-L184 PolarHBondContact O-N 3.34Å; I181-G185 PolarHBondContact O-N 3Å; I181-L223 HydrophobicContact CB-CD2 4.37Å; I181-L226 HydrophobicContact CD1-CB 3.96Å; I181-L226 HydrophobicContact CD1-CD2 3.82Å; I181-L226 HydrophobicContact CD1-CG 3.58Å; I181-L230 HydrophobicContact CD1-CD1 3.62Å; I181-L230 HydrophobicContact CD1-CG 4.45Å
182	F	98.3	Very high	97.7	Very high	28 Å²	28	51.7 Å²	51.7	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-44.1	176.1	-166.7	-79	0	0	0	111.4	Y149 V153 S178 L179 G185 F186 W220 T224	Y149-F182 HydrophobicContact CE1-CZ 4.3Å; V153-F182 HydrophobicContact CG1-CE1 4.1Å; V153-F182 HydrophobicContact CG1-CZ 4.42Å; V153-F182 HydrophobicContact CG2-CZ 4.37Å; S178-F182 WeakPolarHBondContact O-CB 3.28Å; S178-F182 PolarHBondContact O-N 3.25Å; L179-F182 PolarHBondContact O-N 3.2Å; F182-G185 PolarHBondContact O-N 3.34Å; F182-F186 PolarHBondContact O-N 3.02Å; F182-W220 HydrophobicContact CE1-CH2 4.48Å; F182-W220 HydrophobicContact CZ-CH2 4.49Å; F182-T224 HydrophobicContact CD2-CG2 3.94Å; F182-T224 HydrophobicContact CE2-CG2 3.89Å; F182-T224 HydrophobicContact CG-CG2 4.3Å; F182-T224 HydrophobicContact CZ-CG2 4.18Å
183	L	98.4	Very high	97.7	Very high	96 Å²	96	49.4 Å²	49.4	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-66.4	-37.4	175.9	-70.6	175.3	0	0	0	112.6	L179 G180 G185 F186 L187	L179-L183 HydrophobicContact CD1-CD1 3.88Å; L179-L183 HydrophobicContact CD1-CG 4Å; L179-L183 HydrophobicContact CG-CD1 3.95Å; L179-L183 HydrophobicContact CG-CG 4.44Å; L179-L183 WeakPolarHBondContact O-CG 3.35Å; L179-L183 PolarHBondContact O-N 3.13Å; G180-L183 PolarHBondContact O-N 2.93Å; L183-G185 VanDerWaalsContact C-N 3.32Å; L183-F186 PolarHBondContact O-N 2.89Å; L183-F186 VanDerWaalsContact O-N 3.16Å; L183-L187 PolarHBondContact O-N 3.11Å
184	L	98.6	Very high	97.7	Very high	73 Å²	73	52.7 Å²	52.7	38%	0.382	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-41	173.2	179.9	61.7	0	0	0	111.3	G180 I181 F186 L187 F188 L223	G180-L184 WeakPolarHBondContact O-CB 3.32Å; G180-L184 PolarHBondContact O-N 2.67Å; I181-L184 PolarHBondContact O-N 3.34Å; L184-F186 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.35Å; L184-L187 HydrophobicContact CD1-CD2 4.27Å; L184-L187 WeakPolarHBondContact O-CB 3.47Å; L184-L187 PolarHBondContact O-N 3.2Å; L184-F188 HydrophobicContact CD1-CE1 3.98Å; L184-F188 HydrophobicContact CD1-CE2 4.49Å; L184-F188 HydrophobicContact CD1-CZ 3.97Å; L184-F188 HydrophobicContact CG-CE2 4.32Å; L184-F188 HydrophobicContact CG-CZ 4.27Å; L184-F188 PolarHBondContact O-N 3.22Å; L184-L223 HydrophobicContact CB-CD1 4.37Å; L184-L223 HydrophobicContact CD2-CD1 4.16Å; L184-L223 HydrophobicContact CD2-CD2 4.45Å; L184-L223 HydrophobicContact CG-CD1 3.9Å
185	G	98.6	Very high	97.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.2	-51.8	169.2	0	0	0	0	0	110.3	I181 F182 L183 L187 F188 W189 W220	I181-G185 PolarHBondContact O-N 3Å; F182-G185 PolarHBondContact O-N 3.34Å; L183-G185 VanDerWaalsContact C-N 3.32Å; G185-L187 PolarHBondContact O-N 2.88Å; G185-F188 CarbonylContact O-C 3.59Å; G185-F188 WeakPolarHBondContact O-CA 3.48Å; G185-F188 WeakPolarHBondContact O-CB 2.85Å; G185-F188 PolarHBondContact O-N 3.47Å; G185-W189 PolarHBondContact O-N 3.45Å; G185-W220 VanDerWaalsContact O-CE3 3.27Å
186	F	97.9	Very high	97.8	Very high	97 Å²	97	56.9 Å²	56.9	43%	0.425	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-35.2	-176.6	-173.5	-117.3	0	0	0	112.4	F182 L183 L184 W189 N190 W220	F182-F186 PolarHBondContact O-N 3.02Å; L183-F186 PolarHBondContact O-N 2.89Å; L183-F186 VanDerWaalsContact O-N 3.16Å; L184-F186 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.35Å; F186-W189 HydrophobicContact CD2-CE3 4.28Å; F186-W189 AromaticContact CE2-CE3 3.88Å; F186-W189 HydrophobicContact CE2-CE3 3.88Å; F186-W189 HydrophobicContact CE2-CZ3 4.15Å; F186-W189 PolarHBondContact O-N 2.99Å; F186-N190 WeakPolarHBondContact CE1-ND2 3.4Å; F186-N190 WeakPolarHBondContact CZ-ND2 3.45Å; F186-N190 PolarHBondContact O-N 3.12Å; F186-N190 VanDerWaalsContact O-N 3.12Å; F186-N190 PolarHBondContact O-ND2 3.24Å; F186-W220 HydrophobicContact CB-CE3 4.44Å; F186-W220 HydrophobicContact CB-CH2 4.48Å; F186-W220 HydrophobicContact CB-CZ3 3.65Å; F186-W220 AromaticContact CD2-CH2 3.97Å; F186-W220 HydrophobicContact CD2-CH2 3.97Å; F186-W220 AromaticContact CD2-CZ3 3.85Å; F186-W220 HydrophobicContact CD2-CZ3 3.85Å; F186-W220 HydrophobicContact CG-CZ3 4.26Å; F186-W220 VanDerWaalsContact N-CZ3 3.34Å
187	L	98.5	Very high	97.6	Very high	92 Å²	92	57.8 Å²	57.8	48%	0.482	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-48.7	170.3	175.9	63.6	0	0	0	111.2	L183 L184 G185 W189 N190 I191	L183-L187 PolarHBondContact O-N 3.11Å; L184-L187 HydrophobicContact CD1-CD2 4.27Å; L184-L187 WeakPolarHBondContact O-CB 3.47Å; L184-L187 PolarHBondContact O-N 3.2Å; G185-L187 PolarHBondContact O-N 2.88Å; L187-W189 VanDerWaalsContact C-N 3.34Å; L187-W189 PolarHBondContact O-N 3.25Å; L187-N190 PolarHBondContact O-N 3.37Å; L187-I191 HydrophobicContact CD1-CD1 4.24Å; L187-I191 HydrophobicContact CD1-CG1 4.44Å; L187-I191 HydrophobicContact CG-CD1 4.05Å; L187-I191 WeakPolarHBondContact O-CG1 3.31Å; L187-I191 PolarHBondContact O-N 3.11Å
188	F	98.5	Very high	97.4	Very high	44 Å²	44	57.8 Å²	57.8	19%	0.193	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-39.2	177.8	-71	-10.4	0	0	0	112.8	L184 G185 N190 I191 D192 F216 W219 L223	L184-F188 HydrophobicContact CD1-CE1 3.98Å; L184-F188 HydrophobicContact CD1-CE2 4.49Å; L184-F188 HydrophobicContact CD1-CZ 3.97Å; L184-F188 HydrophobicContact CG-CE2 4.32Å; L184-F188 HydrophobicContact CG-CZ 4.27Å; L184-F188 PolarHBondContact O-N 3.22Å; G185-F188 CarbonylContact O-C 3.59Å; G185-F188 WeakPolarHBondContact O-CA 3.48Å; G185-F188 WeakPolarHBondContact O-CB 2.85Å; G185-F188 PolarHBondContact O-N 3.47Å; F188-N190 VanDerWaalsContact C-N 3.32Å; F188-N190 PolarHBondContact O-N 3.14Å; F188-I191 HydrophobicContact CD1-CD1 4.22Å; F188-I191 PolarHBondContact O-N 3.49Å; F188-D192 PolarHBondContact O-N 3.18Å; F188-F216 HydrophobicContact CB-CB 4.06Å; F188-F216 HydrophobicContact CB-CD1 4.03Å; F188-F216 HydrophobicContact CB-CG 4.43Å; F188-F216 AromaticContact CD1-CD1 3.81Å; F188-F216 HydrophobicContact CD1-CD1 3.81Å; F188-F216 HydrophobicContact CD1-CE1 4.04Å; F188-F216 HydrophobicContact CD2-CD1 4.05Å; F188-F216 HydrophobicContact CE1-CD1 4.22Å; F188-F216 HydrophobicContact CE1-CE1 4.01Å; F188-F216 HydrophobicContact CE2-CD1 4.43Å; F188-F216 AromaticContact CG-CD1 3.71Å; F188-F216 HydrophobicContact CG-CD1 3.71Å; F188-F216 HydrophobicContact CG-CE1 4.34Å; F188-F216 HydrophobicContact CZ-CE1 4.28Å; F188-F216 WeakPolarHBondContact O-CB 3.47Å; F188-W219 HydrophobicContact CD2-CB 3.61Å; F188-W219 HydrophobicContact CD2-CG 4.34Å; F188-W219 HydrophobicContact CE2-CB 4.14Å; F188-W219 HydrophobicContact CE2-CG 4.47Å; F188-L223 HydrophobicContact CD2-CD1 3.52Å; F188-L223 HydrophobicContact CE2-CD1 3.68Å
189	W	98.3	Very high	97.3	Very high	30 Å²	30	58.2 Å²	58.2	11%	0.114	31%	0.309	C	S	.	.	H	α-helix	trans	-56.2	-46	172.3	179.7	90.5	0	0	0	111.6	W20 G185 F186 L187 D192 N193 H217 W220	W20-W189 AromaticContact CH2-NE1 3.43Å; W20-W189 AromaticContact CZ3-CE2 3.96Å; W20-W189 HydrophobicContact CZ3-CZ2 4.26Å; W20-W189 AromaticContact CZ3-NE1 3.23Å; G185-W189 PolarHBondContact O-N 3.45Å; F186-W189 HydrophobicContact CD2-CE3 4.28Å; F186-W189 AromaticContact CE2-CE3 3.88Å; F186-W189 HydrophobicContact CE2-CE3 3.88Å; F186-W189 HydrophobicContact CE2-CZ3 4.15Å; F186-W189 PolarHBondContact O-N 2.99Å; L187-W189 VanDerWaalsContact C-N 3.34Å; L187-W189 PolarHBondContact O-N 3.25Å; W189-D192 PolarHBondContact O-N 2.73Å; W189-N193 PolarHBondContact O-N 3.33Å; W189-N193 PolarHBondContact O-ND2 3.47Å; W189-H217 AromaticContact CD1-CE1 3.43Å; W189-H217 VanDerWaalsContact CD1-CE1 3.43Å; W189-H217 AromaticContact CD1-ND1 3.46Å; W189-H217 AromaticContact NE1-CE1 3.63Å; W189-H217 AromaticContact NE1-ND1 3.91Å; W189-W220 HydrophobicContact CB-CB 4.15Å; W189-W220 HydrophobicContact CB-CD2 3.8Å; W189-W220 HydrophobicContact CB-CE3 3.77Å; W189-W220 HydrophobicContact CB-CG 4.02Å; W189-W220 HydrophobicContact CB-CZ3 4.35Å; W189-W220 HydrophobicContact CG-CD2 4.21Å; W189-W220 HydrophobicContact CG-CE3 4.47Å; W189-W220 HydrophobicContact CG-CG 4.45Å
190	N	98.2	Very high	97	Very high	50 Å²	50	58.3 Å²	58.3	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-38.8	177.1	-78.6	-84.9	0	0	0	112.5	F186 L187 F188 D192 N193 I194	F186-N190 WeakPolarHBondContact CE1-ND2 3.4Å; F186-N190 WeakPolarHBondContact CZ-ND2 3.45Å; F186-N190 PolarHBondContact O-N 3.12Å; F186-N190 VanDerWaalsContact O-N 3.12Å; F186-N190 PolarHBondContact O-ND2 3.24Å; L187-N190 PolarHBondContact O-N 3.37Å; F188-N190 VanDerWaalsContact C-N 3.32Å; F188-N190 PolarHBondContact O-N 3.14Å; N190-D192 VanDerWaalsContact C-N 3.33Å; N190-D192 PolarHBondContact O-N 3.43Å; N190-N193 PolarHBondContact O-N 3.24Å; N190-I194 HydrophobicContact CB-CD1 4.29Å; N190-I194 WeakPolarHBondContact O-CB 3.42Å; N190-I194 VanDerWaalsContact O-CG1 3.28Å; N190-I194 WeakPolarHBondContact O-CG1 3.31Å; N190-I194 PolarHBondContact O-N 3.03Å
191	I	98.1	Very high	96.7	Very high	45 Å²	45	60.3 Å²	60.3	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-43.8	177.1	-69.2	172.4	0	0	0	110.5	L187 F188 N193 F195 L199 F216	L187-I191 HydrophobicContact CD1-CD1 4.24Å; L187-I191 HydrophobicContact CD1-CG1 4.44Å; L187-I191 HydrophobicContact CG-CD1 4.05Å; L187-I191 WeakPolarHBondContact O-CG1 3.31Å; L187-I191 PolarHBondContact O-N 3.11Å; F188-I191 HydrophobicContact CD1-CD1 4.22Å; F188-I191 PolarHBondContact O-N 3.49Å; I191-N193 VanDerWaalsContact C-N 3.34Å; I191-N193 PolarHBondContact O-N 3.38Å; I191-F195 HydrophobicContact CG2-CD2 4.4Å; I191-F195 WeakPolarHBondContact O-CB 3.31Å; I191-F195 PolarHBondContact O-N 2.67Å; I191-L199 HydrophobicContact CG2-CD1 4.43Å; I191-F216 HydrophobicContact CG2-CD2 3.68Å; I191-F216 HydrophobicContact CG2-CE2 3.84Å; I191-F216 HydrophobicContact CG2-CG 4.31Å
192	D	96.7	Very high	96.4	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-43.8	178.6	-155.5	82.9	0	0	0	111.7	C21 F188 W189 N190 C196 R203 F216 H217	C21-D192 WeakPolarHBondContact CB-OD2 3.23Å; C21-D192 PolarHBondContact N-OD2 2.99Å; F188-D192 PolarHBondContact O-N 3.18Å; W189-D192 PolarHBondContact O-N 2.73Å; N190-D192 VanDerWaalsContact C-N 3.33Å; N190-D192 PolarHBondContact O-N 3.43Å; D192-C196 WeakPolarHBondContact O-CA 3.37Å; D192-C196 VanDerWaalsContact O-CB 3.31Å; D192-C196 WeakPolarHBondContact O-CB 3.42Å; D192-C196 PolarHBondContact O-N 3Å; D192-R203 IonicContact OD1-NH2 2.94Å; D192-F216 HydrophobicContact CB-CB 3.84Å; D192-F216 PolarHBondContact OD1-N 2.86Å; D192-F216 VanDerWaalsContact OD1-N 3.13Å; D192-H217 HydrophobicContact CB-CB 4.3Å; D192-H217 PolarHBondContact OD1-N 3.47Å
193	N	94.9	Very high	96.1	Very high	73 Å²	73	63 Å²	63	39%	0.39	32%	0.318	S	S	.	.	H	α-helix	trans	-70.7	-47.7	179.2	-77.6	-86.1	0	0	0	113	W189 N190 I191	W189-N193 PolarHBondContact O-N 3.33Å; W189-N193 PolarHBondContact O-ND2 3.47Å; N190-N193 PolarHBondContact O-N 3.24Å; I191-N193 VanDerWaalsContact C-N 3.34Å; I191-N193 PolarHBondContact O-N 3.38Å
194	I	97.5	Very high	95.6	Very high	120 Å²	120	64.1 Å²	64.1	62%	0.615	32%	0.319	S	S	*	.	H	α-helix	trans	-78.6	-39	-171.5	-64	167.6	0	0	0	111.6	N190	N190-I194 HydrophobicContact CB-CD1 4.29Å; N190-I194 WeakPolarHBondContact O-CB 3.42Å; N190-I194 VanDerWaalsContact O-CG1 3.28Å; N190-I194 WeakPolarHBondContact O-CG1 3.31Å; N190-I194 PolarHBondContact O-N 3.03Å
195	F	96.9	Very high	95.1	Very high	113 Å²	113	69.3 Å²	69.3	50%	0.496	34%	0.338	S	S	.	.	S	Bend	trans	-103.6	20.5	-173.6	-65.8	-85	0	0	0	113	I191 D197 S198 L199	I191-F195 HydrophobicContact CG2-CD2 4.4Å; I191-F195 WeakPolarHBondContact O-CB 3.31Å; I191-F195 PolarHBondContact O-N 2.67Å; F195-D197 PolarHBondContact O-N 2.89Å; F195-S198 WeakPolarHBondContact O-CA 3.34Å; F195-S198 WeakPolarHBondContact O-CB 3.37Å; F195-S198 PolarHBondContact O-N 2.89Å; F195-L199 HydrophobicContact CB-CG 4.42Å; F195-L199 WeakPolarHBondContact O-CG 3.44Å; F195-L199 PolarHBondContact O-N 3.43Å
196	C	95.6	Very high	94.6	Very high	28 Å²	28	70.9 Å²	70.9	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-53.8	-48.8	-170	-178.1	0	0	0	0	114	C21 D192 S198 L199 R200	C21-C196 WeakPolarHBondContact CA-SG 3.35Å; C21-C196 HydrophobicContact CB-CB 3.82Å; C21-C196 WeakPolarHBondContact CB-SG 3.25Å; C21-C196 WeakPolarHBondContact SG-CA 3.43Å; C21-C196 WeakPolarHBondContact SG-CB 3.3Å; C21-C196 PolarHBondContact SG-O 3.3Å; C21-C196 VanDerWaalsContact SG-O 3.4Å; C21-C196 CovalentContact SG-SG 2.04Å; C21-C196 PolarHBondContact SG-SG 3.02Å; D192-C196 WeakPolarHBondContact O-CA 3.37Å; D192-C196 VanDerWaalsContact O-CB 3.31Å; D192-C196 WeakPolarHBondContact O-CB 3.42Å; D192-C196 PolarHBondContact O-N 3Å; C196-S198 VanDerWaalsContact C-N 3.25Å; C196-S198 PolarHBondContact O-N 3.05Å; C196-L199 WeakPolarHBondContact O-CB 3.22Å; C196-L199 PolarHBondContact O-N 3.47Å; C196-L199 VanDerWaalsContact O-N 3.1Å; C196-R200 PolarHBondContact O-N 2.87Å
197	D	93.4	Very high	94.2	Very high	125 Å²	125	70 Å²	70	67%	0.668	35%	0.352	S	S	*	.	H	α-helix	trans	-59.7	-38.7	179	-71.1	-34.7	0	0	0	112.2	F195 N201	F195-D197 PolarHBondContact O-N 2.89Å; D197-N201 WeakPolarHBondContact O-CB 3.45Å; D197-N201 PolarHBondContact O-N 3.45Å; D197-N201 PolarHBondContact O-ND2 3.5Å
198	S	94.9	Very high	93.4	Very high	76 Å²	76	69.9 Å²	69.9	53%	0.531	36%	0.357	S	S	.	.	H	α-helix	trans	-67.8	-40.6	177.7	-63	0	0	0	0	111.2	F195 C196 F202	F195-S198 WeakPolarHBondContact O-CA 3.34Å; F195-S198 WeakPolarHBondContact O-CB 3.37Å; F195-S198 PolarHBondContact O-N 2.89Å; C196-S198 VanDerWaalsContact C-N 3.25Å; C196-S198 PolarHBondContact O-N 3.05Å; S198-F202 WeakPolarHBondContact O-CB 3.49Å; S198-F202 PolarHBondContact O-N 2.94Å
199	L	94.3	Very high	92.8	Very high	18 Å²	18	74.3 Å²	74.3	9%	0.094	38%	0.381	C	S	.	.	H	α-helix	trans	-65.4	-51.5	177.2	-63.5	170.7	0	0	0	111.2	I191 F195 C196 N201 F202 R203 F216	I191-L199 HydrophobicContact CG2-CD1 4.43Å; F195-L199 HydrophobicContact CB-CG 4.42Å; F195-L199 WeakPolarHBondContact O-CG 3.44Å; F195-L199 PolarHBondContact O-N 3.43Å; C196-L199 WeakPolarHBondContact O-CB 3.22Å; C196-L199 PolarHBondContact O-N 3.47Å; C196-L199 VanDerWaalsContact O-N 3.1Å; L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 2.68Å; L199-F202 WeakPolarHBondContact O-CB 3.35Å; L199-F202 PolarHBondContact O-N 3.21Å; L199-F202 VanDerWaalsContact O-N 3.13Å; L199-R203 WeakPolarHBondContact O-CG 3.5Å; L199-R203 PolarHBondContact O-N 3.36Å; L199-F216 HydrophobicContact CD1-CD2 3.85Å; L199-F216 HydrophobicContact CD1-CE2 4.44Å; L199-F216 HydrophobicContact CD2-CD2 3.85Å; L199-F216 HydrophobicContact CD2-CE2 3.6Å
200	R	92.7	Very high	92.2	Very high	47 Å²	47	76.7 Å²	76.7	18%	0.177	40%	0.395	C	S	.	.	H	α-helix	trans	-58.5	-43.2	176	-73.1	-174.9	172.2	-158.6	-2	111.3	D6 W20 C21 E22 C196 F202 R203 K204	D6-R200 IonicContact OD1-NH1 3.9Å; D6-R200 IonicContact OD1-NH2 3.85Å; D6-R200 IonicContact OD2-NH1 3.11Å; D6-R200 PolarHBondContact OD2-NH1 3.4Å; W20-R200 PolarHBondContact O-NH2 3.42Å; C21-R200 PolarHBondContact O-NE 2.81Å; C21-R200 PolarHBondContact O-NH2 2.9Å; E22-R200 PolarHBondContact O-NH2 2.99Å; C196-R200 PolarHBondContact O-N 2.87Å; R200-F202 VanDerWaalsContact C-N 3.32Å; R200-F202 PolarHBondContact O-N 3.28Å; R200-R203 PolarHBondContact O-N 2.93Å; R200-K204 WeakPolarHBondContact O-CG 3.17Å; R200-K204 PolarHBondContact O-N 3.46Å; R200-K204 VanDerWaalsContact O-N 3.12Å
201	N	91.6	Very high	91.7	Very high	79 Å²	79	74.7 Å²	74.7	42%	0.422	39%	0.386	S	S	.	.	H	α-helix	trans	-66.3	-32.9	177.3	-74.2	-31.5	0	0	0	113.3	D197 L199 K204	D197-N201 WeakPolarHBondContact O-CB 3.45Å; D197-N201 PolarHBondContact O-N 3.45Å; D197-N201 PolarHBondContact O-ND2 3.5Å; L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 2.68Å; N201-K204 PolarHBondContact OD1-NZ 2.92Å
202	F	92	Very high	91.3	Very high	93 Å²	93	75.1 Å²	75.1	41%	0.408	39%	0.389	S	S	.	.	H	α-helix	trans	-68.2	-46.6	172	177	-98.3	0	0	0	111.4	S198 L199 R200 K204 K205 V206 I210 T214	S198-F202 WeakPolarHBondContact O-CB 3.49Å; S198-F202 PolarHBondContact O-N 2.94Å; L199-F202 WeakPolarHBondContact O-CB 3.35Å; L199-F202 PolarHBondContact O-N 3.21Å; L199-F202 VanDerWaalsContact O-N 3.13Å; R200-F202 VanDerWaalsContact C-N 3.32Å; R200-F202 PolarHBondContact O-N 3.28Å; F202-K204 PolarHBondContact O-N 3.03Å; F202-K205 PolarHBondContact O-N 2.88Å; F202-V206 HydrophobicContact CD1-CG1 4.36Å; F202-V206 HydrophobicContact CD1-CG2 4.14Å; F202-V206 HydrophobicContact CD2-CG1 4.31Å; F202-V206 HydrophobicContact CE1-CB 4.49Å; F202-V206 HydrophobicContact CE1-CG1 3.86Å; F202-V206 HydrophobicContact CE1-CG2 3.91Å; F202-V206 HydrophobicContact CE2-CG1 3.78Å; F202-V206 HydrophobicContact CZ-CG1 3.55Å; F202-V206 HydrophobicContact CZ-CG2 4.46Å; F202-V206 PolarHBondContact O-N 3.4Å; F202-I210 HydrophobicContact CE1-CG2 4.17Å; F202-I210 HydrophobicContact CZ-CG2 4.32Å; F202-T214 HydrophobicContact CD1-CG2 3.74Å; F202-T214 HydrophobicContact CE1-CG2 3.76Å
203	R	91.9	Very high	91.1	Very high	22 Å²	22	78.5 Å²	78.5	8%	0.083	41%	0.409	C	S	.	.	H	α-helix	trans	-55.4	-35.6	177.3	-69.8	175.6	-161.1	157.1	4.3	112.7	C21 E23 D192 L199 R200 K205 V206 T214 Q215	C21-R203 PolarHBondContact O-NH1 2.83Å; E23-R203 IonicContact OE1-NH1 3.79Å; E23-R203 IonicContact OE2-NH1 3.14Å; E23-R203 PolarHBondContact OE2-NH1 3.5Å; E23-R203 VanDerWaalsContact OE2-NH1 3.11Å; D192-R203 IonicContact OD1-NH2 2.94Å; L199-R203 WeakPolarHBondContact O-CG 3.5Å; L199-R203 PolarHBondContact O-N 3.36Å; R200-R203 PolarHBondContact O-N 2.93Å; R203-K205 PolarHBondContact O-N 3.3Å; R203-V206 PolarHBondContact O-N 3.18Å; R203-T214 WeakPolarHBondContact CG-OG1 3.41Å; R203-T214 PolarHBondContact NE-OG1 3.3Å; R203-T214 PolarHBondContact NH2-O 3.42Å; R203-Q215 VanDerWaalsContact CZ-CD 3.45Å; R203-Q215 VanDerWaalsContact NH1-OE1 3.14Å
204	K	87.5	Confident	91	Very high	121 Å²	121	75.6 Å²	75.6	53%	0.526	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24	174.6	-70	172.1	-170.8	168.4	0	114	P3 R200 N201 F202	P3-K204 HydrophobicContact CB-CG 4.17Å; R200-K204 WeakPolarHBondContact O-CG 3.17Å; R200-K204 PolarHBondContact O-N 3.46Å; R200-K204 VanDerWaalsContact O-N 3.12Å; N201-K204 PolarHBondContact OD1-NZ 2.92Å; F202-K204 PolarHBondContact O-N 3.03Å
205	K	89.9	Confident	91	Very high	181 Å²	181	70.3 Å²	70.3	79%	0.787	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-11.1	-174.1	-63.8	176.6	-176.1	177.5	0	113.6	F202 R203	F202-K205 PolarHBondContact O-N 2.88Å; R203-K205 PolarHBondContact O-N 3.3Å
206	V	87.6	Confident	91	Very high	34 Å²	34	66.8 Å²	66.8	21%	0.206	35%	0.352	C	S	.	.	S	Bend	trans	-115.4	156.7	-175.3	-61.6	0	0	0	0	111.9	F202 R203 I210	F202-V206 HydrophobicContact CD1-CG1 4.36Å; F202-V206 HydrophobicContact CD1-CG2 4.14Å; F202-V206 HydrophobicContact CD2-CG1 4.31Å; F202-V206 HydrophobicContact CE1-CB 4.49Å; F202-V206 HydrophobicContact CE1-CG1 3.86Å; F202-V206 HydrophobicContact CE1-CG2 3.91Å; F202-V206 HydrophobicContact CE2-CG1 3.78Å; F202-V206 HydrophobicContact CZ-CG1 3.55Å; F202-V206 HydrophobicContact CZ-CG2 4.46Å; F202-V206 PolarHBondContact O-N 3.4Å; R203-V206 PolarHBondContact O-N 3.18Å; V206-I210 HydrophobicContact CB-CB 4.16Å; V206-I210 HydrophobicContact CB-CG2 4.05Å; V206-I210 HydrophobicContact CG1-CG2 4.33Å; V206-I210 HydrophobicContact CG2-CB 4.15Å; V206-I210 HydrophobicContact CG2-CG2 4Å
207	P	88.3	Confident	91.2	Very high	77 Å²	77	65.6 Å²	65.6	50%	0.5	34%	0.343	S	S	.	.			trans	-54.4	146.8	169.6	-25.9	33.4	0	0	0	112.2	I209 I210 G211	P207-I209 PolarHBondContact O-N 2.73Å; P207-I210 HydrophobicContact CG-CD1 4.29Å; P207-I210 PolarHBondContact O-N 2.98Å; P207-G211 PolarHBondContact O-N 2.87Å; P207-G211 VanDerWaalsContact O-N 3.08Å
208	P	82.5	Confident	91.4	Very high	90 Å²	90	60.1 Å²	60.1	58%	0.584	32%	0.315	S	S	*	.	H	α-helix	trans	-51.7	-37.5	-177.5	-30	35.4	0	0	0	114.3	M1 I210 G211 I212	M1-P208 HydrophobicContact SD-CG 4.26Å; P208-I210 VanDerWaalsContact C-N 3.29Å; P208-I210 PolarHBondContact O-N 3.35Å; P208-G211 WeakPolarHBondContact O-CA 3.22Å; P208-G211 PolarHBondContact O-N 3.19Å; P208-I212 WeakPolarHBondContact O-CG1 3.24Å; P208-I212 PolarHBondContact O-N 3.26Å; P208-I212 VanDerWaalsContact O-N 3.07Å
209	I	85.2	Confident	91.6	Very high	138 Å²	138	61.4 Å²	61.4	71%	0.708	31%	0.309	S	S	*	.	H	α-helix	trans	-60.3	-38.9	-180	-59.5	159	0	0	0	111.8	P207	P207-I209 PolarHBondContact O-N 2.73Å
210	I	86.3	Confident	91.8	Very high	80 Å²	80	61.9 Å²	61.9	41%	0.41	31%	0.309	S	S	.	.	H	α-helix	trans	-76.8	-31.4	175.2	-64.1	165.4	0	0	0	109.8	F202 V206 P207 P208 I212 T213	F202-I210 HydrophobicContact CE1-CG2 4.17Å; F202-I210 HydrophobicContact CZ-CG2 4.32Å; V206-I210 HydrophobicContact CB-CB 4.16Å; V206-I210 HydrophobicContact CB-CG2 4.05Å; V206-I210 HydrophobicContact CG1-CG2 4.33Å; V206-I210 HydrophobicContact CG2-CB 4.15Å; V206-I210 HydrophobicContact CG2-CG2 4Å; P207-I210 HydrophobicContact CG-CD1 4.29Å; P207-I210 PolarHBondContact O-N 2.98Å; P208-I210 VanDerWaalsContact C-N 3.29Å; P208-I210 PolarHBondContact O-N 3.35Å; I210-I212 VanDerWaalsContact C-N 3.25Å; I210-I212 PolarHBondContact O-N 2.92Å; I210-T213 PolarHBondContact O-N 3.4Å; I210-T213 PolarHBondContact O-OG1 3.3Å
211	G	87.6	Confident	92.1	Very high	8 Å²	8	59.9 Å²	59.9	8%	0.082	30%	0.302	C	S	.	.	H	α-helix	trans	-57.1	-37.7	172.8	0	0	0	0	0	113.1	P207 P208 T213 T214	P207-G211 PolarHBondContact O-N 2.87Å; P207-G211 VanDerWaalsContact O-N 3.08Å; P208-G211 WeakPolarHBondContact O-CA 3.22Å; P208-G211 PolarHBondContact O-N 3.19Å; G211-T213 VanDerWaalsContact C-N 3.26Å; G211-T213 PolarHBondContact O-N 2.83Å; G211-T214 PolarHBondContact O-N 2.76Å; G211-T214 VanDerWaalsContact O-N 3.09Å; G211-T214 PolarHBondContact O-OG1 3.46Å
212	I	90.2	Very high	92.4	Very high	54 Å²	54	58.5 Å²	58.5	28%	0.277	29%	0.294	S	S	.	.	H	α-helix	trans	-57.8	-38.1	179	-57.1	166.5	0	0	0	111.6	W35 P208 I210 T214 Q215	W35-I212 HydrophobicContact CD2-CG1 4.4Å; W35-I212 HydrophobicContact CD2-CG2 4.01Å; W35-I212 HydrophobicContact CE3-CG2 4.1Å; W35-I212 HydrophobicContact CH2-CD1 3.65Å; W35-I212 HydrophobicContact CH2-CG1 4.19Å; W35-I212 HydrophobicContact CH2-CG2 4.46Å; W35-I212 HydrophobicContact CZ2-CD1 3.4Å; W35-I212 HydrophobicContact CZ2-CG1 3.57Å; W35-I212 HydrophobicContact CZ2-CG2 4.38Å; W35-I212 HydrophobicContact CZ3-CD1 4.47Å; W35-I212 HydrophobicContact CZ3-CG2 4.32Å; P208-I212 WeakPolarHBondContact O-CG1 3.24Å; P208-I212 PolarHBondContact O-N 3.26Å; P208-I212 VanDerWaalsContact O-N 3.07Å; I210-I212 VanDerWaalsContact C-N 3.25Å; I210-I212 PolarHBondContact O-N 2.92Å; I212-T214 PolarHBondContact O-N 3.06Å; I212-T214 VanDerWaalsContact O-N 3.14Å; I212-Q215 WeakPolarHBondContact O-CB 3.4Å; I212-Q215 PolarHBondContact O-N 2.83Å
213	T	91.9	Very high	92.7	Very high	72 Å²	72	55.2 Å²	55.2	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-66.8	-19.7	-177	65.6	0	0	0	0	112.6	I210 G211 W219	I210-T213 PolarHBondContact O-N 3.4Å; I210-T213 PolarHBondContact O-OG1 3.3Å; G211-T213 VanDerWaalsContact C-N 3.26Å; G211-T213 PolarHBondContact O-N 2.83Å; T213-W219 PolarHBondContact O-NE1 3.17Å
214	T	94.1	Very high	93	Very high	12 Å²	12	54.6 Å²	54.6	7%	0.074	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	2	177.3	65.1	0	0	0	0	114	F202 R203 G211 I212 F216	F202-T214 HydrophobicContact CD1-CG2 3.74Å; F202-T214 HydrophobicContact CE1-CG2 3.76Å; R203-T214 WeakPolarHBondContact CG-OG1 3.41Å; R203-T214 PolarHBondContact NE-OG1 3.3Å; R203-T214 PolarHBondContact NH2-O 3.42Å; G211-T214 PolarHBondContact O-N 2.76Å; G211-T214 VanDerWaalsContact O-N 3.09Å; G211-T214 PolarHBondContact O-OG1 3.46Å; I212-T214 PolarHBondContact O-N 3.06Å; I212-T214 VanDerWaalsContact O-N 3.14Å; T214-F216 WeakPolarHBondContact O-CD2 3.21Å; T214-F216 PolarHBondContact O-N 3.32Å
215	Q	96.4	Very high	93.5	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.042	25%	0.254	C	S	.	.			trans	-76.3	73.3	170.3	-59.6	-65.4	2.8	0	0	109	W35 R203 I212 H217 A218 W219	W35-Q215 HydrophobicContact CB-CB 4.23Å; W35-Q215 HydrophobicContact CB-CG 4.07Å; W35-Q215 HydrophobicContact CG-CG 4.12Å; R203-Q215 VanDerWaalsContact CZ-CD 3.45Å; R203-Q215 VanDerWaalsContact NH1-OE1 3.14Å; I212-Q215 WeakPolarHBondContact O-CB 3.4Å; I212-Q215 PolarHBondContact O-N 2.83Å; Q215-H217 VanDerWaalsContact C-N 3.29Å; Q215-H217 PolarHBondContact O-N 3.1Å; Q215-A218 HydrophobicContact CB-CB 4.02Å; Q215-A218 WeakPolarHBondContact O-CB 3.33Å; Q215-A218 PolarHBondContact O-N 2.79Å; Q215-W219 VanDerWaalsContact O-CD1 3.23Å; Q215-W219 PolarHBondContact O-N 3.18Å; Q215-W219 VanDerWaalsContact O-N 3.17Å
216	F	98.1	Very high	93.9	Very high	39 Å²	39	42.4 Å²	42.4	17%	0.171	23%	0.228	C	C	.	.	H	α-helix	trans	-71.2	-26.8	-169.8	-76.7	-60.9	0	0	0	112.5	F188 I191 D192 L199 T214 W219 W220	F188-F216 HydrophobicContact CB-CB 4.06Å; F188-F216 HydrophobicContact CB-CD1 4.03Å; F188-F216 HydrophobicContact CB-CG 4.43Å; F188-F216 AromaticContact CD1-CD1 3.81Å; F188-F216 HydrophobicContact CD1-CD1 3.81Å; F188-F216 HydrophobicContact CD1-CE1 4.04Å; F188-F216 HydrophobicContact CD2-CD1 4.05Å; F188-F216 HydrophobicContact CE1-CD1 4.22Å; F188-F216 HydrophobicContact CE1-CE1 4.01Å; F188-F216 HydrophobicContact CE2-CD1 4.43Å; F188-F216 AromaticContact CG-CD1 3.71Å; F188-F216 HydrophobicContact CG-CD1 3.71Å; F188-F216 HydrophobicContact CG-CE1 4.34Å; F188-F216 HydrophobicContact CZ-CE1 4.28Å; F188-F216 WeakPolarHBondContact O-CB 3.47Å; I191-F216 HydrophobicContact CG2-CD2 3.68Å; I191-F216 HydrophobicContact CG2-CE2 3.84Å; I191-F216 HydrophobicContact CG2-CG 4.31Å; D192-F216 HydrophobicContact CB-CB 3.84Å; D192-F216 PolarHBondContact OD1-N 2.86Å; D192-F216 VanDerWaalsContact OD1-N 3.13Å; L199-F216 HydrophobicContact CD1-CD2 3.85Å; L199-F216 HydrophobicContact CD1-CE2 4.44Å; L199-F216 HydrophobicContact CD2-CD2 3.85Å; L199-F216 HydrophobicContact CD2-CE2 3.6Å; T214-F216 WeakPolarHBondContact O-CD2 3.21Å; T214-F216 PolarHBondContact O-N 3.32Å; F216-W219 PolarHBondContact O-N 3.28Å; F216-W220 PolarHBondContact O-N 3.45Å
217	H	98.4	Very high	94.4	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-38.4	170.3	-159.4	83.3	0	0	0	112.8	W20 H81 W189 D192 Q215 W219 W220 H221	W20-H217 AromaticContact CD2-CE1 3.39Å; W20-H217 AromaticContact CD2-ND1 3.67Å; W20-H217 AromaticContact CD2-NE2 3.63Å; W20-H217 AromaticContact CE2-CE1 3.49Å; W20-H217 VanDerWaalsContact CE2-CE1 3.49Å; W20-H217 AromaticContact CE2-NE2 3.49Å; W20-H217 AromaticContact CE3-CE1 3.24Å; W20-H217 AromaticContact CE3-ND1 3.3Å; W20-H217 VanDerWaalsContact CE3-ND1 3.3Å; W20-H217 AromaticContact CE3-NE2 3.97Å; W20-H217 AromaticContact CH2-CE1 3.31Å; W20-H217 WeakPolarHBondContact CH2-CE1 3.47Å; W20-H217 AromaticContact CZ2-CE1 3.42Å; W20-H217 VanDerWaalsContact CZ2-CE1 3.42Å; W20-H217 WeakPolarHBondContact CZ2-CE1 3.33Å; W20-H217 AromaticContact CZ2-NE2 3.66Å; W20-H217 AromaticContact CZ3-CE1 3.23Å; W20-H217 WeakPolarHBondContact CZ3-CE1 3.26Å; W20-H217 AromaticContact CZ3-ND1 3.59Å; H81-H217 AromaticContact CE1-CD2 3.61Å; H81-H217 AromaticContact CE1-NE2 3.49Å; H81-H217 PolarHBondContact CE1-NE2 3.34Å; H81-H217 AromaticContact NE2-NE2 3.79Å; W189-H217 AromaticContact CD1-CE1 3.43Å; W189-H217 VanDerWaalsContact CD1-CE1 3.43Å; W189-H217 AromaticContact CD1-ND1 3.46Å; W189-H217 AromaticContact NE1-CE1 3.63Å; W189-H217 AromaticContact NE1-ND1 3.91Å; D192-H217 HydrophobicContact CB-CB 4.3Å; D192-H217 PolarHBondContact OD1-N 3.47Å; Q215-H217 VanDerWaalsContact C-N 3.29Å; Q215-H217 PolarHBondContact O-N 3.1Å; H217-W219 VanDerWaalsContact C-N 3.35Å; H217-W219 PolarHBondContact O-N 3.44Å; H217-W220 AromaticContact CE1-CD1 3.96Å; H217-W220 VanDerWaalsContact O-CB 3.23Å; H217-W220 WeakPolarHBondContact O-CB 3.25Å; H217-W220 PolarHBondContact O-N 2.85Å; H217-W220 VanDerWaalsContact O-N 3.13Å; H217-H221 AromaticContact CD2-CE1 3.47Å; H217-H221 PolarHBondContact CD2-CE1 2.77Å; H217-H221 VanDerWaalsContact CD2-CE1 3.47Å; H217-H221 AromaticContact CD2-NE2 3.43Å; H217-H221 PolarHBondContact CD2-NE2 3.4Å; H217-H221 AromaticContact NE2-CE1 3.73Å; H217-H221 AromaticContact NE2-NE2 3.24Å; H217-H221 PolarHBondContact NE2-NE2 3.18Å; H217-H221 PolarHBondContact O-N 3.23Å
218	A	98.4	Very high	94.9	Very high	10 Å²	10	37.8 Å²	37.8	8%	0.083	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-41	171.7	0	0	0	0	0	111.6	W35 N36 S39 Q215 W220 H221 I222	W35-A218 HydrophobicContact CB-CB 4.04Å; W35-A218 WeakPolarHBondContact O-CB 3.5Å; N36-A218 PolarHBondContact OD1-N 3Å; S39-A218 WeakPolarHBondContact CB-O 3.15Å; Q215-A218 HydrophobicContact CB-CB 4.02Å; Q215-A218 WeakPolarHBondContact O-CB 3.33Å; Q215-A218 PolarHBondContact O-N 2.79Å; A218-W220 VanDerWaalsContact C-N 3.28Å; A218-W220 PolarHBondContact O-N 2.98Å; A218-H221 WeakPolarHBondContact O-CB 3.46Å; A218-H221 PolarHBondContact O-N 3.18Å; A218-I222 WeakPolarHBondContact O-CG1 3.27Å; A218-I222 PolarHBondContact O-N 3.12Å
219	W	98.4	Very high	95.7	Very high	103 Å²	103	33.6 Å²	33.6	39%	0.39	17%	0.172	S	C	.	.	H	α-helix	trans	-64	-32.5	173.3	-72	109.9	0	0	0	113	F188 T213 Q215 F216 H217 I222 L223	F188-W219 HydrophobicContact CD2-CB 3.61Å; F188-W219 HydrophobicContact CD2-CG 4.34Å; F188-W219 HydrophobicContact CE2-CB 4.14Å; F188-W219 HydrophobicContact CE2-CG 4.47Å; T213-W219 PolarHBondContact O-NE1 3.17Å; Q215-W219 VanDerWaalsContact O-CD1 3.23Å; Q215-W219 PolarHBondContact O-N 3.18Å; Q215-W219 VanDerWaalsContact O-N 3.17Å; F216-W219 PolarHBondContact O-N 3.28Å; H217-W219 VanDerWaalsContact C-N 3.35Å; H217-W219 PolarHBondContact O-N 3.44Å; W219-I222 HydrophobicContact CE3-CB 4.46Å; W219-I222 PolarHBondContact O-N 3.41Å; W219-L223 WeakPolarHBondContact O-CB 3.33Å; W219-L223 VanDerWaalsContact O-CG 3.27Å; W219-L223 WeakPolarHBondContact O-CG 3.42Å; W219-L223 PolarHBondContact O-N 3.3Å
220	W	98.6	Very high	96.3	Very high	27 Å²	27	27.7 Å²	27.7	10%	0.102	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-46.6	171.3	154.6	-99.2	0	0	0	111.2	F182 G185 F186 W189 F216 H217 A218 I222 L223 T224	F182-W220 HydrophobicContact CE1-CH2 4.48Å; F182-W220 HydrophobicContact CZ-CH2 4.49Å; G185-W220 VanDerWaalsContact O-CE3 3.27Å; F186-W220 HydrophobicContact CB-CE3 4.44Å; F186-W220 HydrophobicContact CB-CH2 4.48Å; F186-W220 HydrophobicContact CB-CZ3 3.65Å; F186-W220 AromaticContact CD2-CH2 3.97Å; F186-W220 HydrophobicContact CD2-CH2 3.97Å; F186-W220 AromaticContact CD2-CZ3 3.85Å; F186-W220 HydrophobicContact CD2-CZ3 3.85Å; F186-W220 HydrophobicContact CG-CZ3 4.26Å; F186-W220 VanDerWaalsContact N-CZ3 3.34Å; W189-W220 HydrophobicContact CB-CB 4.15Å; W189-W220 HydrophobicContact CB-CD2 3.8Å; W189-W220 HydrophobicContact CB-CE3 3.77Å; W189-W220 HydrophobicContact CB-CG 4.02Å; W189-W220 HydrophobicContact CB-CZ3 4.35Å; W189-W220 HydrophobicContact CG-CD2 4.21Å; W189-W220 HydrophobicContact CG-CE3 4.47Å; W189-W220 HydrophobicContact CG-CG 4.45Å; F216-W220 PolarHBondContact O-N 3.45Å; H217-W220 AromaticContact CE1-CD1 3.96Å; H217-W220 VanDerWaalsContact O-CB 3.23Å; H217-W220 WeakPolarHBondContact O-CB 3.25Å; H217-W220 PolarHBondContact O-N 2.85Å; H217-W220 VanDerWaalsContact O-N 3.13Å; A218-W220 VanDerWaalsContact C-N 3.28Å; A218-W220 PolarHBondContact O-N 2.98Å; W220-I222 PolarHBondContact O-N 3.2Å; W220-L223 PolarHBondContact O-N 3.41Å; W220-T224 HydrophobicContact CD2-CG2 3.61Å; W220-T224 HydrophobicContact CE3-CG2 3.17Å; W220-T224 HydrophobicContact CG-CG2 4.5Å; W220-T224 HydrophobicContact CH2-CG2 3.59Å; W220-T224 HydrophobicContact CZ2-CG2 3.92Å; W220-T224 HydrophobicContact CZ3-CG2 3.16Å; W220-T224 WeakPolarHBondContact O-CB 3.35Å; W220-T224 WeakPolarHBondContact O-CG2 3.39Å; W220-T224 PolarHBondContact O-N 3.21Å; W220-T224 PolarHBondContact O-OG1 2.86Å
221	H	98.6	Very high	96.9	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.023	13%	0.126	C	C	.	.	H	α-helix	trans	-59.3	-44.7	175	-59.7	152	0	0	0	112.4	N36 S39 M43 H81 H217 A218 L223 G225	N36-H221 PolarHBondContact O-CE1 2.91Å; N36-H221 PolarHBondContact O-ND1 3.2Å; S39-H221 PolarHBondContact OG-ND1 2.91Å; M43-H221 HydrophobicContact CE-CB 3.95Å; H81-H221 AromaticContact CD2-CE1 3.6Å; H81-H221 AromaticContact CE1-CE1 3.73Å; H81-H221 AromaticContact NE2-CE1 3.12Å; H81-H221 PolarHBondContact NE2-CE1 3.49Å; H81-H221 AromaticContact NE2-NE2 3.33Å; H81-H221 PolarHBondContact NE2-NE2 2.98Å; H217-H221 AromaticContact CD2-CE1 3.47Å; H217-H221 PolarHBondContact CD2-CE1 2.77Å; H217-H221 VanDerWaalsContact CD2-CE1 3.47Å; H217-H221 AromaticContact CD2-NE2 3.43Å; H217-H221 PolarHBondContact CD2-NE2 3.4Å; H217-H221 AromaticContact NE2-CE1 3.73Å; H217-H221 AromaticContact NE2-NE2 3.24Å; H217-H221 PolarHBondContact NE2-NE2 3.18Å; H217-H221 PolarHBondContact O-N 3.23Å; A218-H221 WeakPolarHBondContact O-CB 3.46Å; A218-H221 PolarHBondContact O-N 3.18Å; H221-L223 PolarHBondContact O-N 3.49Å; H221-G225 WeakPolarHBondContact O-CA 3.45Å; H221-G225 PolarHBondContact O-N 3.13Å
222	I	98.6	Very high	97.4	Very high	50 Å²	50	24.4 Å²	24.4	26%	0.256	12%	0.122	S	C	.	.	H	α-helix	trans	-59.9	-50.5	178.6	-59.2	-55.3	0	0	0	111.3	S39 I42 A218 W219 W220 L226	S39-I222 WeakPolarHBondContact O-CD1 3.36Å; I42-I222 HydrophobicContact CB-CD1 4.39Å; I42-I222 HydrophobicContact CD1-CG2 4.04Å; I42-I222 HydrophobicContact CG2-CD1 3.87Å; A218-I222 WeakPolarHBondContact O-CG1 3.27Å; A218-I222 PolarHBondContact O-N 3.12Å; W219-I222 HydrophobicContact CE3-CB 4.46Å; W219-I222 PolarHBondContact O-N 3.41Å; W220-I222 PolarHBondContact O-N 3.2Å; I222-L226 VanDerWaalsContact O-CB 3.31Å; I222-L226 WeakPolarHBondContact O-CB 3.23Å; I222-L226 PolarHBondContact O-N 3.07Å
223	L	98.5	Very high	97.7	Very high	24 Å²	24	22.1 Å²	22.1	13%	0.126	11%	0.111	C	C	.	.	H	α-helix	trans	-74.5	-41.7	-172.6	-69.7	171.1	0	0	0	112.5	I181 L184 F188 W219 W220 H221 G227	I181-L223 HydrophobicContact CB-CD2 4.37Å; L184-L223 HydrophobicContact CB-CD1 4.37Å; L184-L223 HydrophobicContact CD2-CD1 4.16Å; L184-L223 HydrophobicContact CD2-CD2 4.45Å; L184-L223 HydrophobicContact CG-CD1 3.9Å; F188-L223 HydrophobicContact CD2-CD1 3.52Å; F188-L223 HydrophobicContact CE2-CD1 3.68Å; W219-L223 WeakPolarHBondContact O-CB 3.33Å; W219-L223 VanDerWaalsContact O-CG 3.27Å; W219-L223 WeakPolarHBondContact O-CG 3.42Å; W219-L223 PolarHBondContact O-N 3.3Å; W220-L223 PolarHBondContact O-N 3.41Å; H221-L223 PolarHBondContact O-N 3.49Å; L223-G227 PolarHBondContact O-N 3.46Å
224	T	98.4	Very high	98	Very high	9 Å²	9	18.7 Å²	18.7	6%	0.055	9%	0.09	C	C	.	.	H	α-helix	trans	-75.2	-34	177.1	56.9	0	0	0	0	112.7	F182 W220 G227 S228	F182-T224 HydrophobicContact CD2-CG2 3.94Å; F182-T224 HydrophobicContact CE2-CG2 3.89Å; F182-T224 HydrophobicContact CG-CG2 4.3Å; F182-T224 HydrophobicContact CZ-CG2 4.18Å; W220-T224 HydrophobicContact CD2-CG2 3.61Å; W220-T224 HydrophobicContact CE3-CG2 3.17Å; W220-T224 HydrophobicContact CG-CG2 4.5Å; W220-T224 HydrophobicContact CH2-CG2 3.59Å; W220-T224 HydrophobicContact CZ2-CG2 3.92Å; W220-T224 HydrophobicContact CZ3-CG2 3.16Å; W220-T224 WeakPolarHBondContact O-CB 3.35Å; W220-T224 WeakPolarHBondContact O-CG2 3.39Å; W220-T224 PolarHBondContact O-N 3.21Å; W220-T224 PolarHBondContact O-OG1 2.86Å; T224-G227 PolarHBondContact O-N 3.46Å; T224-S228 VanDerWaalsContact O-CB 3.25Å; T224-S228 WeakPolarHBondContact O-CB 3.42Å; T224-S228 PolarHBondContact O-N 3.35Å; T224-S228 PolarHBondContact O-OG 2.9Å
225	G	98.3	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.6	-48.9	172.2	0	0	0	0	0	111.7	H221 Y229	H221-G225 WeakPolarHBondContact O-CA 3.45Å; H221-G225 PolarHBondContact O-N 3.13Å; G225-Y229 WeakPolarHBondContact O-CB 3.41Å; G225-Y229 PolarHBondContact O-N 2.96Å
226	L	98.1	Very high	98.2	Very high	47 Å²	47	18.2 Å²	18.2	25%	0.246	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-43.9	173.3	-176.3	61.6	0	0	0	111.5	I42 I181 I222 S228 Y229 L230 W256	I42-L226 HydrophobicContact CD1-CB 4.29Å; I181-L226 HydrophobicContact CD1-CB 3.96Å; I181-L226 HydrophobicContact CD1-CD2 3.82Å; I181-L226 HydrophobicContact CD1-CG 3.58Å; I222-L226 VanDerWaalsContact O-CB 3.31Å; I222-L226 WeakPolarHBondContact O-CB 3.23Å; I222-L226 PolarHBondContact O-N 3.07Å; L226-S228 PolarHBondContact O-N 2.96Å; L226-Y229 PolarHBondContact O-N 2.83Å; L226-L230 HydrophobicContact CD1-CG 4.31Å; L226-L230 HydrophobicContact CG-CD1 4.44Å; L226-L230 HydrophobicContact CG-CG 4.42Å; L226-L230 VanDerWaalsContact O-CG 3.31Å; L226-L230 WeakPolarHBondContact O-CG 3.44Å; L226-L230 PolarHBondContact O-N 2.91Å; L226-W256 HydrophobicContact CD1-CH2 3.56Å; L226-W256 HydrophobicContact CD1-CZ2 4.28Å; L226-W256 HydrophobicContact CD1-CZ3 3.77Å
227	G	98.4	Very high	98.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-55.9	-47.9	177	0	0	0	0	0	112.8	S178 L223 T224 L230 H231	S178-G227 PolarHBondContact OG-O 3.28Å; L223-G227 PolarHBondContact O-N 3.46Å; T224-G227 PolarHBondContact O-N 3.46Å; G227-L230 PolarHBondContact O-N 3.37Å; G227-H231 WeakPolarHBondContact O-CB 3.45Å; G227-H231 PolarHBondContact O-N 3.44Å
228	S	98.7	Very high	98	Very high	13 Å²	13	17.4 Å²	17.4	9%	0.091	8%	0.083	C	C	.	.	H	α-helix	trans	-66.7	-41.6	177.9	-57.9	0	0	0	0	111.6	T224 L226 H231 I232	T224-S228 VanDerWaalsContact O-CB 3.25Å; T224-S228 WeakPolarHBondContact O-CB 3.42Å; T224-S228 PolarHBondContact O-N 3.35Å; T224-S228 PolarHBondContact O-OG 2.9Å; L226-S228 PolarHBondContact O-N 2.96Å; S228-H231 WeakPolarHBondContact O-CB 3.38Å; S228-H231 PolarHBondContact O-N 2.97Å; S228-I232 WeakPolarHBondContact O-CG1 2.99Å; S228-I232 PolarHBondContact O-N 3.24Å
229	Y	98.4	Very high	97.9	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-61.5	-46	174.6	178.8	-92.7	0	0	0	112.2	P46 P47 Y67 G225 L226 H231 I232 L233 W256 P257	P46-Y229 HydrophobicContact CB-CE2 4.46Å; P47-Y229 HydrophobicContact CG-CD2 4.16Å; Y67-Y229 HydrophobicContact CD1-CD2 4.34Å; Y67-Y229 HydrophobicContact CD1-CE2 4.26Å; Y67-Y229 AromaticContact CE1-CD2 3.74Å; Y67-Y229 HydrophobicContact CE1-CD2 3.74Å; Y67-Y229 AromaticContact CE1-CE2 3.47Å; Y67-Y229 HydrophobicContact CE1-CE2 3.47Å; Y67-Y229 VanDerWaalsContact CE1-CE2 3.47Å; G225-Y229 WeakPolarHBondContact O-CB 3.41Å; G225-Y229 PolarHBondContact O-N 2.96Å; L226-Y229 PolarHBondContact O-N 2.83Å; Y229-H231 PolarHBondContact O-N 3.49Å; Y229-I232 PolarHBondContact O-N 3.16Å; Y229-L233 HydrophobicContact CD1-CD1 4.07Å; Y229-L233 HydrophobicContact CD1-CG 4.37Å; Y229-L233 HydrophobicContact CE1-CD1 3.47Å; Y229-L233 VanDerWaalsContact CE1-CD1 3.47Å; Y229-L233 HydrophobicContact CE1-CD2 4.46Å; Y229-L233 HydrophobicContact CE1-CG 3.88Å; Y229-L233 PolarHBondContact O-N 2.79Å; Y229-W256 AromaticContact CD1-CE2 3.77Å; Y229-W256 HydrophobicContact CD1-CH2 4.33Å; Y229-W256 AromaticContact CD1-CZ2 3.37Å; Y229-W256 HydrophobicContact CD1-CZ2 3.37Å; Y229-W256 AromaticContact CD1-NE1 3.88Å; Y229-W256 AromaticContact CD2-CZ2 3.86Å; Y229-W256 HydrophobicContact CD2-CZ2 3.86Å; Y229-W256 AromaticContact CE1-CE2 3.49Å; Y229-W256 VanDerWaalsContact CE1-CE2 3.49Å; Y229-W256 AromaticContact CE1-CZ2 3.63Å; Y229-W256 HydrophobicContact CE1-CZ2 3.63Å; Y229-W256 AromaticContact CE1-NE1 3.13Å; Y229-W256 HydrophobicContact CE2-CZ2 4.08Å; Y229-W256 AromaticContact CE2-NE1 3.5Å; Y229-W256 HydrophobicContact CG-CH2 4.46Å; Y229-W256 AromaticContact CG-CZ2 3.51Å; Y229-W256 HydrophobicContact CG-CZ2 3.51Å; Y229-W256 AromaticContact CZ-CD1 3.87Å; Y229-W256 AromaticContact CZ-CE2 3.7Å; Y229-W256 AromaticContact CZ-NE1 2.93Å; Y229-W256 PolarHBondContact OH-NE1 3.08Å; Y229-P257 HydrophobicContact CE1-CG 4.23Å; Y229-P257 VanDerWaalsContact CE1-O 3.27Å; Y229-P257 WeakPolarHBondContact CE1-O 3.39Å; Y229-P257 PolarHBondContact OH-O 3.21Å
230	L	97.8	Very high	97.6	Very high	14 Å²	14	12.3 Å²	12.3	7%	0.073	6%	0.062	C	C	.	.	H	α-helix	trans	-62.7	-33.7	174.5	-67.1	-174.1	0	0	0	111.7	L174 T177 I181 L226 G227 L233 F234 P257	L174-L230 HydrophobicContact CD1-CB 4.13Å; L174-L230 HydrophobicContact CD1-CD2 3.96Å; L174-L230 HydrophobicContact CD1-CG 4.47Å; T177-L230 HydrophobicContact CG2-CD1 3.88Å; I181-L230 HydrophobicContact CD1-CD1 3.62Å; I181-L230 HydrophobicContact CD1-CG 4.45Å; L226-L230 HydrophobicContact CD1-CG 4.31Å; L226-L230 HydrophobicContact CG-CD1 4.44Å; L226-L230 HydrophobicContact CG-CG 4.42Å; L226-L230 VanDerWaalsContact O-CG 3.31Å; L226-L230 WeakPolarHBondContact O-CG 3.44Å; L226-L230 PolarHBondContact O-N 2.91Å; G227-L230 PolarHBondContact O-N 3.37Å; L230-L233 HydrophobicContact CD2-CD1 4.2Å; L230-L233 WeakPolarHBondContact O-CB 3.4Å; L230-L233 PolarHBondContact O-N 2.9Å; L230-F234 WeakPolarHBondContact O-CB 3.15Å; L230-F234 PolarHBondContact O-N 3.29Å; L230-P257 HydrophobicContact CD2-CG 3.82Å
231	H	98.5	Very high	97.4	Very high	16 Å²	16	13.5 Å²	13.5	7%	0.074	7%	0.07	C	C	.	.	H	α-helix	trans	-65.8	-42.2	174.2	-176.5	76.7	0	0	0	112	M107 L156 S160 S178 G227 S228 Y229 L233 F234 S235	M107-H231 WeakPolarHBondContact CG-NE2 3.46Å; L156-H231 WeakPolarHBondContact CD1-NE2 3.42Å; L156-H231 WeakPolarHBondContact CD2-NE2 3.39Å; L156-H231 VanDerWaalsContact CG-CE1 3.5Å; L156-H231 WeakPolarHBondContact CG-CE1 3.26Å; L156-H231 WeakPolarHBondContact CG-NE2 3.37Å; S160-H231 PolarHBondContact OG-CE1 3.39Å; S178-H231 PolarHBondContact OG-N 2.95Å; G227-H231 WeakPolarHBondContact O-CB 3.45Å; G227-H231 PolarHBondContact O-N 3.44Å; S228-H231 WeakPolarHBondContact O-CB 3.38Å; S228-H231 PolarHBondContact O-N 2.97Å; Y229-H231 PolarHBondContact O-N 3.49Å; H231-L233 VanDerWaalsContact C-N 3.32Å; H231-L233 PolarHBondContact O-N 3.11Å; H231-F234 WeakPolarHBondContact O-CB 3.2Å; H231-F234 PolarHBondContact O-N 3.24Å; H231-S235 WeakPolarHBondContact O-CB 3.31Å; H231-S235 PolarHBondContact O-N 3.36Å
232	I	98.4	Very high	97.2	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-44.8	174	-63	165.9	0	0	0	110	Y67 L70 F103 S228 Y229 F234 S235 L236	Y67-I232 HydrophobicContact CD1-CD1 3.93Å; Y67-I232 HydrophobicContact CD1-CG2 3.96Å; Y67-I232 HydrophobicContact CD2-CG2 4.08Å; Y67-I232 HydrophobicContact CE1-CB 4.07Å; Y67-I232 HydrophobicContact CE1-CD1 4.21Å; Y67-I232 HydrophobicContact CE1-CG2 3.55Å; Y67-I232 HydrophobicContact CE2-CG2 3.69Å; Y67-I232 HydrophobicContact CG-CG2 4.2Å; Y67-I232 VanDerWaalsContact CZ-CG2 3.41Å; L70-I232 HydrophobicContact CB-CD1 4.19Å; L70-I232 HydrophobicContact CD2-CD1 3.86Å; F103-I232 HydrophobicContact CD1-CG1 4.41Å; F103-I232 HydrophobicContact CE1-CD1 3.93Å; F103-I232 HydrophobicContact CE1-CG1 3.91Å; F103-I232 HydrophobicContact CZ-CD1 3.92Å; F103-I232 HydrophobicContact CZ-CG1 4.09Å; S228-I232 WeakPolarHBondContact O-CG1 2.99Å; S228-I232 PolarHBondContact O-N 3.24Å; Y229-I232 PolarHBondContact O-N 3.16Å; I232-F234 VanDerWaalsContact C-N 3.34Å; I232-F234 PolarHBondContact O-N 3.41Å; I232-S235 PolarHBondContact O-N 2.8Å; I232-L236 WeakPolarHBondContact O-CB 3.42Å; I232-L236 PolarHBondContact O-N 3.13Å
233	L	96.9	Very high	96.9	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-46.2	173.9	-71.9	-179.5	0	0	0	111.4	Y67 L174 Y229 L230 H231 S235 L236 Y237 P257 I259	Y67-L233 VanDerWaalsContact OH-CD2 3.26Å; Y67-L233 WeakPolarHBondContact OH-CD2 2.98Å; L174-L233 HydrophobicContact CD2-CB 4.29Å; Y229-L233 HydrophobicContact CD1-CD1 4.07Å; Y229-L233 HydrophobicContact CD1-CG 4.37Å; Y229-L233 HydrophobicContact CE1-CD1 3.47Å; Y229-L233 VanDerWaalsContact CE1-CD1 3.47Å; Y229-L233 HydrophobicContact CE1-CD2 4.46Å; Y229-L233 HydrophobicContact CE1-CG 3.88Å; Y229-L233 PolarHBondContact O-N 2.79Å; L230-L233 HydrophobicContact CD2-CD1 4.2Å; L230-L233 WeakPolarHBondContact O-CB 3.4Å; L230-L233 PolarHBondContact O-N 2.9Å; H231-L233 VanDerWaalsContact C-N 3.32Å; H231-L233 PolarHBondContact O-N 3.11Å; L233-S235 PolarHBondContact O-N 2.04Å; L233-L236 PolarHBondContact O-N 3.45Å; L233-Y237 VanDerWaalsContact O-CB 3.29Å; L233-Y237 WeakPolarHBondContact O-CB 2.99Å; L233-Y237 PolarHBondContact O-N 3Å; L233-P257 HydrophobicContact CD1-CB 3.97Å; L233-P257 HydrophobicContact CD1-CG 3.92Å; L233-I259 HydrophobicContact CB-CD1 4.28Å; L233-I259 HydrophobicContact CD2-CD1 3.88Å; L233-I259 HydrophobicContact CD2-CG1 3.97Å; L233-I259 WeakPolarHBondContact O-CD1 3.4Å
234	F	97.7	Very high	96.5	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-45.5	177.3	168.6	-106.6	0	0	0	112.4	M107 I163 V164 L171 L174 L230 H231 I232 Y237 T238	M107-F234 HydrophobicContact CE-CD1 4.05Å; M107-F234 HydrophobicContact CE-CE1 3.44Å; M107-F234 VanDerWaalsContact CE-CE1 3.44Å; M107-F234 HydrophobicContact CE-CZ 4.39Å; M107-F234 HydrophobicContact SD-CD1 4.25Å; M107-F234 HydrophobicContact SD-CE1 4.22Å; I163-F234 HydrophobicContact CB-CZ 4.1Å; I163-F234 HydrophobicContact CG2-CE2 4.34Å; I163-F234 HydrophobicContact CG2-CZ 3.84Å; V164-F234 HydrophobicContact CG1-CE2 3.46Å; V164-F234 VanDerWaalsContact CG1-CE2 3.46Å; V164-F234 HydrophobicContact CG1-CZ 3.67Å; L171-F234 HydrophobicContact CB-CD2 3.93Å; L171-F234 HydrophobicContact CB-CE2 3.66Å; L171-F234 HydrophobicContact CD1-CD2 4.08Å; L171-F234 HydrophobicContact CD1-CE2 3.9Å; L171-F234 HydrophobicContact CG-CE2 4.43Å; L174-F234 HydrophobicContact CD2-CB 3.96Å; L174-F234 HydrophobicContact CG-CB 4.09Å; L230-F234 WeakPolarHBondContact O-CB 3.15Å; L230-F234 PolarHBondContact O-N 3.29Å; H231-F234 WeakPolarHBondContact O-CB 3.2Å; H231-F234 PolarHBondContact O-N 3.24Å; I232-F234 VanDerWaalsContact C-N 3.34Å; I232-F234 PolarHBondContact O-N 3.41Å; F234-Y237 PolarHBondContact O-N 3.07Å; F234-T238 WeakPolarHBondContact O-CB 3.45Å; F234-T238 PolarHBondContact O-N 3.18Å; F234-T238 PolarHBondContact O-OG1 3.36Å
235	S	98.3	Very high	95.9	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-45.8	177	-167.1	0	0	0	0	111.6	M107 H231 I232 L233 T238 R239	M107-S235 WeakPolarHBondContact SD-CB 3.41Å; M107-S235 PolarHBondContact SD-OG 2.96Å; H231-S235 WeakPolarHBondContact O-CB 3.31Å; H231-S235 PolarHBondContact O-N 3.36Å; I232-S235 PolarHBondContact O-N 2.8Å; L233-S235 PolarHBondContact O-N 2.04Å; S235-T238 WeakPolarHBondContact O-CB 3.46Å; S235-T238 PolarHBondContact O-N 2.76Å; S235-R239 PolarHBondContact O-N 3.4Å; S235-R239 VanDerWaalsContact O-N 3.1Å
236	L	96.6	Very high	95	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-65.6	-43	178.5	-178.6	59	0	0	0	111.6	L59 Y63 I232 L233 T238 R239 T240 I259 F261	L59-L236 HydrophobicContact CD1-CD1 3.97Å; L59-L236 HydrophobicContact CD1-CD2 3.82Å; Y63-L236 HydrophobicContact CD1-CB 4.07Å; Y63-L236 HydrophobicContact CD1-CD1 4.03Å; Y63-L236 HydrophobicContact CD2-CD1 3.88Å; Y63-L236 HydrophobicContact CE1-CB 4.22Å; Y63-L236 HydrophobicContact CE1-CD1 4.38Å; Y63-L236 HydrophobicContact CE2-CD1 4.26Å; Y63-L236 HydrophobicContact CG-CD1 3.78Å; I232-L236 WeakPolarHBondContact O-CB 3.42Å; I232-L236 PolarHBondContact O-N 3.13Å; L233-L236 PolarHBondContact O-N 3.45Å; L236-T238 VanDerWaalsContact C-N 3.35Å; L236-T238 PolarHBondContact O-N 3.38Å; L236-R239 PolarHBondContact O-N 2.96Å; L236-T240 WeakPolarHBondContact O-CB 3.41Å; L236-T240 PolarHBondContact O-N 2.9Å; L236-T240 PolarHBondContact O-OG1 3.32Å; L236-I259 HydrophobicContact CB-CD1 4.26Å; L236-I259 HydrophobicContact CD2-CD1 4.26Å; L236-I259 HydrophobicContact CG-CD1 4.24Å; L236-F261 HydrophobicContact CD1-CZ 4.02Å; L236-F261 HydrophobicContact CD2-CE2 4.24Å; L236-F261 HydrophobicContact CD2-CZ 3.9Å; L236-F261 HydrophobicContact CG-CZ 3.94Å
237	Y	95.6	Very high	94.2	Very high	25 Å²	25	38.2 Å²	38.2	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-46.7	176.5	-138.3	129.4	0	0	0	111	L171 L174 L233 F234 R239 T240 L241 P247 V249 I259	L171-Y237 HydrophobicContact CD2-CD1 4.23Å; L171-Y237 HydrophobicContact CD2-CD2 3.84Å; L171-Y237 HydrophobicContact CD2-CE2 4.34Å; L171-Y237 HydrophobicContact CD2-CG 3.79Å; L174-Y237 HydrophobicContact CD2-CD1 4.31Å; L233-Y237 VanDerWaalsContact O-CB 3.29Å; L233-Y237 WeakPolarHBondContact O-CB 2.99Å; L233-Y237 PolarHBondContact O-N 3Å; F234-Y237 PolarHBondContact O-N 3.07Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 3.2Å; Y237-T240 WeakPolarHBondContact O-CB 3.34Å; Y237-T240 PolarHBondContact O-N 3.14Å; Y237-T240 VanDerWaalsContact O-N 3.12Å; Y237-L241 HydrophobicContact CD2-CD1 4.23Å; Y237-L241 HydrophobicContact CD2-CG 4.1Å; Y237-L241 HydrophobicContact CE2-CD2 4.41Å; Y237-L241 HydrophobicContact CE2-CG 4.47Å; Y237-L241 WeakPolarHBondContact O-CG 3.28Å; Y237-L241 PolarHBondContact O-N 3.47Å; Y237-P247 HydrophobicContact CD2-CB 4.14Å; Y237-P247 HydrophobicContact CD2-CG 3.51Å; Y237-P247 HydrophobicContact CE1-CB 4.49Å; Y237-P247 HydrophobicContact CE2-CB 3.68Å; Y237-P247 HydrophobicContact CE2-CG 2.97Å; Y237-P247 PolarHBondContact OH-O 3.25Å; Y237-V249 HydrophobicContact CE1-CG2 3.53Å; Y237-I259 HydrophobicContact CD1-CD1 3.63Å; Y237-I259 HydrophobicContact CD1-CG1 3.93Å; Y237-I259 HydrophobicContact CE1-CD1 4.39Å; Y237-I259 HydrophobicContact CE1-CG1 4.21Å; Y237-I259 HydrophobicContact CG-CD1 3.99Å
238	T	96.6	Very high	93.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-48.5	176.5	-62.7	0	0	0	0	111	C110 F111 I163 Y168 L171 F234 S235 L236 T240 L241 Y242	C110-T238 HydrophobicContact CB-CG2 4.07Å; F111-T238 HydrophobicContact CE1-CG2 3.64Å; F111-T238 HydrophobicContact CZ-CG2 3.7Å; I163-T238 HydrophobicContact CD1-CG2 4.25Å; I163-T238 HydrophobicContact CG2-CG2 3.93Å; Y168-T238 HydrophobicContact CD2-CG2 3.98Å; Y168-T238 HydrophobicContact CE2-CG2 3.99Å; L171-T238 VanDerWaalsContact CD1-OG1 3.3Å; L171-T238 WeakPolarHBondContact CD1-OG1 3.35Å; F234-T238 WeakPolarHBondContact O-CB 3.45Å; F234-T238 PolarHBondContact O-N 3.18Å; F234-T238 PolarHBondContact O-OG1 3.36Å; S235-T238 WeakPolarHBondContact O-CB 3.46Å; S235-T238 PolarHBondContact O-N 2.76Å; L236-T238 VanDerWaalsContact C-N 3.35Å; L236-T238 PolarHBondContact O-N 3.38Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.09Å; T238-L241 PolarHBondContact O-N 2.93Å; T238-Y242 PolarHBondContact O-N 3.49Å; T238-Y242 VanDerWaalsContact O-N 3.12Å
239	R	96	Very high	92.8	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-39.1	177.7	178.9	58.4	171.1	175	-2.8	112.7	E60 R62 Y63 C110 K112 S235 L236 Y237 Y242 L243	E60-R239 IonicContact OE1-CZ 2.68Å; E60-R239 IonicContact OE1-NE 3.56Å; E60-R239 PolarHBondContact OE1-NE 3.19Å; E60-R239 IonicContact OE1-NH2 2.67Å; E60-R239 PolarHBondContact OE1-NH2 2.87Å; E60-R239 WeakPolarHBondContact OE2-CG 3.44Å; E60-R239 IonicContact OE2-CZ 3.68Å; E60-R239 IonicContact OE2-NE 3.24Å; E60-R239 PolarHBondContact OE2-NE 3.09Å; E60-R239 IonicContact OE2-NH2 3.74Å; R62-R239 VanDerWaalsContact NH2-CZ 3.33Å; Y63-R239 HydrophobicContact CE2-CB 4.07Å; Y63-R239 HydrophobicContact CE2-CG 3.84Å; Y63-R239 WeakPolarHBondContact OH-CB 3.39Å; C110-R239 WeakPolarHBondContact O-CD 3.07Å; C110-R239 PolarHBondContact O-NH1 3.34Å; K112-R239 VanDerWaalsContact O-CZ 3.28Å; K112-R239 PolarHBondContact O-NH1 2.97Å; K112-R239 PolarHBondContact O-NH2 3.07Å; S235-R239 PolarHBondContact O-N 3.4Å; S235-R239 VanDerWaalsContact O-N 3.1Å; L236-R239 PolarHBondContact O-N 2.96Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 3.2Å; R239-Y242 PolarHBondContact O-N 2.9Å; R239-L243 HydrophobicContact CG-CD1 4.13Å; R239-L243 WeakPolarHBondContact O-CG 3.18Å; R239-L243 PolarHBondContact O-N 2.97Å
240	T	93.1	Very high	92.1	Very high	3 Å²	3	52 Å²	52	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-42	-179	-53.7	0	0	0	0	111.4	L236 Y237 T238 L243 R244 Y245 P247 F261	L236-T240 WeakPolarHBondContact O-CB 3.41Å; L236-T240 PolarHBondContact O-N 2.9Å; L236-T240 PolarHBondContact O-OG1 3.32Å; Y237-T240 WeakPolarHBondContact O-CB 3.34Å; Y237-T240 PolarHBondContact O-N 3.14Å; Y237-T240 VanDerWaalsContact O-N 3.12Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.09Å; T240-L243 CarbonylContact O-C 3.57Å; T240-L243 PolarHBondContact O-N 2.82Å; T240-R244 PolarHBondContact O-N 2.85Å; T240-Y245 VanDerWaalsContact CG2-CB 3.46Å; T240-Y245 HydrophobicContact CG2-CD2 4.45Å; T240-Y245 HydrophobicContact CG2-CG 4.4Å; T240-Y245 PolarHBondContact O-N 3.38Å; T240-Y245 VanDerWaalsContact O-N 3.1Å; T240-P247 HydrophobicContact CG2-CB 3.89Å; T240-P247 HydrophobicContact CG2-CG 3.84Å; T240-F261 HydrophobicContact CG2-CD1 3.96Å; T240-F261 HydrophobicContact CG2-CE1 3.56Å; T240-F261 VanDerWaalsContact OG1-CE1 3.28Å; T240-F261 WeakPolarHBondContact OG1-CE1 3.17Å
241	L	93.1	Very high	91.5	Very high	51 Å²	51	56.8 Å²	56.8	27%	0.267	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-42.7	173.6	-67.4	175	0	0	0	111.7	Y168 L171 Y237 T238 L243 R244 P247	Y168-L241 HydrophobicContact CD1-CD1 4.16Å; Y168-L241 HydrophobicContact CD2-CB 4.32Å; Y168-L241 HydrophobicContact CD2-CD1 3.92Å; Y168-L241 HydrophobicContact CE1-CB 4.19Å; Y168-L241 HydrophobicContact CE2-CB 3.79Å; Y168-L241 HydrophobicContact CE2-CD1 4.25Å; Y168-L241 HydrophobicContact CG-CD1 3.88Å; L171-L241 HydrophobicContact CD1-CD1 4.05Å; L171-L241 HydrophobicContact CD2-CD1 4.38Å; L171-L241 HydrophobicContact CG-CD1 4.22Å; Y237-L241 HydrophobicContact CD2-CD1 4.23Å; Y237-L241 HydrophobicContact CD2-CG 4.1Å; Y237-L241 HydrophobicContact CE2-CD2 4.41Å; Y237-L241 HydrophobicContact CE2-CG 4.47Å; Y237-L241 WeakPolarHBondContact O-CG 3.28Å; Y237-L241 PolarHBondContact O-N 3.47Å; T238-L241 PolarHBondContact O-N 2.93Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 3.22Å; L241-R244 PolarHBondContact O-N 2.88Å; L241-P247 HydrophobicContact CD2-CG 4.44Å
242	Y	94.8	Very high	90.6	Very high	90 Å²	90	58.9 Å²	58.9	35%	0.353	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-40.8	176.5	176.6	-96.2	0	0	0	112.3	F111 K112 Y168 T238 R239 R244	F111-Y242 HydrophobicContact CB-CD2 4.17Å; F111-Y242 HydrophobicContact CB-CE2 4.11Å; F111-Y242 AromaticContact CD1-CD2 3.74Å; F111-Y242 HydrophobicContact CD1-CD2 3.74Å; F111-Y242 HydrophobicContact CD1-CE2 4.49Å; F111-Y242 HydrophobicContact CD1-CG 4.11Å; F111-Y242 HydrophobicContact CG-CD2 4.44Å; F111-Y242 WeakPolarHBondContact O-CE2 3.46Å; F111-Y242 PolarHBondContact O-OH 3.27Å; F111-Y242 VanDerWaalsContact O-OH 3.06Å; K112-Y242 WeakPolarHBondContact O-CE1 3.4Å; Y168-Y242 WeakPolarHBondContact OH-CA 3.34Å; Y168-Y242 PolarHBondContact OH-N 2.69Å; T238-Y242 PolarHBondContact O-N 3.49Å; T238-Y242 VanDerWaalsContact O-N 3.12Å; R239-Y242 PolarHBondContact O-N 2.9Å; Y242-R244 PolarHBondContact O-N 3.13Å
243	L	92.3	Very high	89.7	Confident	47 Å²	47	68.2 Å²	68.2	25%	0.246	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	3.9	175.7	-65.1	178.3	0	0	0	113.7	R239 T240 L241 Y245	R239-L243 HydrophobicContact CG-CD1 4.13Å; R239-L243 WeakPolarHBondContact O-CG 3.18Å; R239-L243 PolarHBondContact O-N 2.97Å; T240-L243 CarbonylContact O-C 3.57Å; T240-L243 PolarHBondContact O-N 2.82Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 3.22Å; L243-Y245 HydrophobicContact CB-CD2 3.55Å; L243-Y245 HydrophobicContact CB-CE2 3.68Å; L243-Y245 HydrophobicContact CD1-CD2 4.32Å; L243-Y245 HydrophobicContact CD1-CE2 4Å; L243-Y245 HydrophobicContact CG-CE2 4.48Å; L243-Y245 PolarHBondContact O-N 2.96Å
244	R	89.9	Confident	88.8	Confident	218 Å²	218	70.9 Å²	70.9	82%	0.823	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	23.8	179	-53.4	-175.8	178.3	-174.8	-1.1	114.7	T240 L241 Y242	T240-R244 PolarHBondContact O-N 2.85Å; L241-R244 PolarHBondContact O-N 2.88Å; Y242-R244 PolarHBondContact O-N 3.13Å
245	Y	85.7	Confident	87.9	Confident	78 Å²	78	77.4 Å²	77.4	31%	0.306	36%	0.359	S	S	.	.			trans	-76.5	159	167.2	-68.7	-66.1	0	0	0	110.2	T240 L243 P247 L264	T240-Y245 VanDerWaalsContact CG2-CB 3.46Å; T240-Y245 HydrophobicContact CG2-CD2 4.45Å; T240-Y245 HydrophobicContact CG2-CG 4.4Å; T240-Y245 PolarHBondContact O-N 3.38Å; T240-Y245 VanDerWaalsContact O-N 3.1Å; L243-Y245 HydrophobicContact CB-CD2 3.55Å; L243-Y245 HydrophobicContact CB-CE2 3.68Å; L243-Y245 HydrophobicContact CD1-CD2 4.32Å; L243-Y245 HydrophobicContact CD1-CE2 4Å; L243-Y245 HydrophobicContact CG-CE2 4.48Å; L243-Y245 PolarHBondContact O-N 2.96Å; Y245-P247 VanDerWaalsContact C-CD 3.49Å; Y245-P247 WeakPolarHBondContact O-CD 3.43Å; Y245-L264 HydrophobicContact CD1-CD1 3.9Å; Y245-L264 HydrophobicContact CD1-CG 3.85Å; Y245-L264 HydrophobicContact CE1-CD1 3.54Å; Y245-L264 HydrophobicContact CE1-CG 3.86Å
246	R	80.6	Confident	87.3	Confident	206 Å²	206	79.3 Å²	79.3	78%	0.777	37%	0.366	S	S	*	.			trans	-104.8	88.6	175.2	-70.5	-171.7	179.5	180	0.4	110.4
247	P	81.8	Confident	86.8	Confident	15 Å²	15	79.9 Å²	79.9	10%	0.097	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.8	176.3	27.8	-33.9	0	0	0	111.1	Y237 T240 L241 Y245 I259	Y237-P247 HydrophobicContact CD2-CB 4.14Å; Y237-P247 HydrophobicContact CD2-CG 3.51Å; Y237-P247 HydrophobicContact CE1-CB 4.49Å; Y237-P247 HydrophobicContact CE2-CB 3.68Å; Y237-P247 HydrophobicContact CE2-CG 2.97Å; Y237-P247 PolarHBondContact OH-O 3.25Å; T240-P247 HydrophobicContact CG2-CB 3.89Å; T240-P247 HydrophobicContact CG2-CG 3.84Å; L241-P247 HydrophobicContact CD2-CG 4.44Å; Y245-P247 VanDerWaalsContact C-CD 3.49Å; Y245-P247 WeakPolarHBondContact O-CD 3.43Å; P247-I259 HydrophobicContact CB-CG2 3.67Å
248	K	82.2	Confident	86.4	Confident	111 Å²	111	79 Å²	79	48%	0.483	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133	167.7	-69.5	-178.6	-179.8	170.5	0	109.5	L260 E262	K248-L260 PolarHBondContact N-O 3.44Å; K248-L260 VanDerWaalsContact N-O 3.09Å; K248-L260 PolarHBondContact O-N 3.26Å; K248-E262 WeakPolarHBondContact CE-OE1 3.34Å; K248-E262 IonicContact NZ-OE1 3.8Å; K248-E262 PolarHBondContact NZ-OE1 3.29Å; K248-E262 IonicContact NZ-OE2 3.85Å; K248-E262 PolarHBondContact NZ-OE2 3.42Å
249	V	83.8	Confident	85.8	Confident	73 Å²	73	79.3 Å²	79.3	44%	0.442	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.6	169	-175.2	0	0	0	0	108.4	Y237 F251 P257 V258	Y237-V249 HydrophobicContact CE1-CG2 3.53Å; V249-F251 HydrophobicContact CG1-CD2 4.44Å; V249-F251 HydrophobicContact CG1-CE2 3.95Å; V249-F251 HydrophobicContact CG1-CZ 4.31Å; V249-P257 HydrophobicContact CG1-CB 4.23Å; V249-V258 WeakPolarHBondContact CA-O 3.48Å
250	K	85.1	Confident	85.1	Confident	123 Å²	123	82.4 Å²	82.4	54%	0.535	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.2	168.4	-175.4	176.3	-179.5	-178.1	0	108.9	P257 V258 L260	K250-P257 CarbonylContact O-C 3.59Å; K250-V258 HydrophobicContact CB-CG2 4.21Å; K250-V258 PolarHBondContact N-O 3.48Å; K250-V258 WeakPolarHBondContact O-CG2 3.37Å; K250-V258 PolarHBondContact O-N 3.12Å; K250-L260 HydrophobicContact CB-CD1 3.75Å; K250-L260 HydrophobicContact CB-CG 4.38Å; K250-L260 HydrophobicContact CD-CD1 3.46Å; K250-L260 VanDerWaalsContact CD-CD1 3.46Å; K250-L260 HydrophobicContact CG-CD1 4.24Å
251	F	85	Confident	84.1	Confident	113 Å²	113	84.3 Å²	84.3	50%	0.496	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.2	173.3	-70.1	-94.4	0	0	0	109.5	V249 G254 W256 P257	V249-F251 HydrophobicContact CG1-CD2 4.44Å; V249-F251 HydrophobicContact CG1-CE2 3.95Å; V249-F251 HydrophobicContact CG1-CZ 4.31Å; F251-G254 PolarHBondContact O-N 3.1Å; F251-W256 CarbonylContact C-O 3.58Å; F251-W256 WeakPolarHBondContact CA-O 3.5Å; F251-P257 HydrophobicContact CD1-CB 4.24Å; F251-P257 HydrophobicContact CE1-CB 3.9Å; F251-P257 HydrophobicContact CE1-CG 4.45Å; F251-P257 HydrophobicContact CZ-CB 4.37Å
252	I	80.4	Confident	82.6	Confident	60 Å²	60	86.6 Å²	86.6	31%	0.308	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.4	171.4	-55.6	-176.4	0	0	0	107.7	G254 I255 W256 V258	I252-G254 PolarHBondContact O-N 3.27Å; I252-I255 PolarHBondContact O-N 2.98Å; I252-W256 HydrophobicContact CB-CB 4.47Å; I252-W256 PolarHBondContact N-O 2.95Å; I252-W256 PolarHBondContact O-N 2.96Å; I252-V258 HydrophobicContact CD1-CB 4.37Å; I252-V258 HydrophobicContact CD1-CG1 3.51Å; I252-V258 HydrophobicContact CD1-CG2 3.96Å; I252-V258 HydrophobicContact CG1-CG1 3.94Å; I252-V258 HydrophobicContact CG1-CG2 3.73Å
253	F	78.8	Confident	80.7	Confident	199 Å²	199	87.9 Å²	87.9	87%	0.873	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	22.4	-172.1	-54.9	-65.1	0	0	0	114.2	I255	F253-I255 PolarHBondContact O-N 3.07Å
254	G	77.9	Confident	78.8	Confident	62 Å²	62	90.8 Å²	90.8	64%	0.639	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	1.1	-176.8	0	0	0	0	0	115.1	F251 I252	F251-G254 PolarHBondContact O-N 3.1Å; I252-G254 PolarHBondContact O-N 3.27Å
255	I	79.3	Confident	76.9	Confident	137 Å²	137	91.2 Å²	91.2	70%	0.703	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	-44.7	-171	-60.2	166.6	0	0	0	111.8	I252 F253	I252-I255 PolarHBondContact O-N 2.98Å; F253-I255 PolarHBondContact O-N 3.07Å
256	W	84.6	Confident	74.9	Confident	45 Å²	45	97.4 Å²	97.4	17%	0.17	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.2	-168.3	-162.6	-96	0	0	0	112.8	I42 P46 L226 Y229 F251 I252	I42-W256 HydrophobicContact CD1-CH2 4.1Å; I42-W256 HydrophobicContact CD1-CZ3 3.99Å; I42-W256 HydrophobicContact CG1-CH2 3.69Å; I42-W256 HydrophobicContact CG1-CZ3 3.9Å; P46-W256 HydrophobicContact CB-CD2 3.9Å; P46-W256 HydrophobicContact CB-CE3 4.5Å; P46-W256 HydrophobicContact CB-CG 4.49Å; P46-W256 HydrophobicContact CB-CH2 3.82Å; P46-W256 HydrophobicContact CB-CZ2 3.1Å; P46-W256 HydrophobicContact CB-CZ3 4.46Å; P46-W256 VanDerWaalsContact CB-NE1 3.29Å; P46-W256 HydrophobicContact CG-CD2 4.23Å; P46-W256 HydrophobicContact CG-CE3 4.36Å; P46-W256 HydrophobicContact CG-CH2 3.63Å; P46-W256 HydrophobicContact CG-CZ2 3.49Å; P46-W256 VanDerWaalsContact CG-CZ2 3.49Å; P46-W256 HydrophobicContact CG-CZ3 4.07Å; L226-W256 HydrophobicContact CD1-CH2 3.56Å; L226-W256 HydrophobicContact CD1-CZ2 4.28Å; L226-W256 HydrophobicContact CD1-CZ3 3.77Å; Y229-W256 AromaticContact CD1-CE2 3.77Å; Y229-W256 HydrophobicContact CD1-CH2 4.33Å; Y229-W256 AromaticContact CD1-CZ2 3.37Å; Y229-W256 HydrophobicContact CD1-CZ2 3.37Å; Y229-W256 AromaticContact CD1-NE1 3.88Å; Y229-W256 AromaticContact CD2-CZ2 3.86Å; Y229-W256 HydrophobicContact CD2-CZ2 3.86Å; Y229-W256 AromaticContact CE1-CE2 3.49Å; Y229-W256 VanDerWaalsContact CE1-CE2 3.49Å; Y229-W256 AromaticContact CE1-CZ2 3.63Å; Y229-W256 HydrophobicContact CE1-CZ2 3.63Å; Y229-W256 AromaticContact CE1-NE1 3.13Å; Y229-W256 HydrophobicContact CE2-CZ2 4.08Å; Y229-W256 AromaticContact CE2-NE1 3.5Å; Y229-W256 HydrophobicContact CG-CH2 4.46Å; Y229-W256 AromaticContact CG-CZ2 3.51Å; Y229-W256 HydrophobicContact CG-CZ2 3.51Å; Y229-W256 AromaticContact CZ-CD1 3.87Å; Y229-W256 AromaticContact CZ-CE2 3.7Å; Y229-W256 AromaticContact CZ-NE1 2.93Å; Y229-W256 PolarHBondContact OH-NE1 3.08Å; F251-W256 CarbonylContact C-O 3.58Å; F251-W256 WeakPolarHBondContact CA-O 3.5Å; I252-W256 HydrophobicContact CB-CB 4.47Å; I252-W256 PolarHBondContact N-O 2.95Å; I252-W256 PolarHBondContact O-N 2.96Å
257	P	87.3	Confident	73	Confident	17 Å²	17	99.4 Å²	99.4	11%	0.11	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.8	-175.7	28.2	-31.2	0	0	0	111.6	Y229 L230 L233 V249 K250 F251	Y229-P257 HydrophobicContact CE1-CG 4.23Å; Y229-P257 VanDerWaalsContact CE1-O 3.27Å; Y229-P257 WeakPolarHBondContact CE1-O 3.39Å; Y229-P257 PolarHBondContact OH-O 3.21Å; L230-P257 HydrophobicContact CD2-CG 3.82Å; L233-P257 HydrophobicContact CD1-CB 3.97Å; L233-P257 HydrophobicContact CD1-CG 3.92Å; V249-P257 HydrophobicContact CG1-CB 4.23Å; K250-P257 CarbonylContact O-C 3.59Å; F251-P257 HydrophobicContact CD1-CB 4.24Å; F251-P257 HydrophobicContact CE1-CB 3.9Å; F251-P257 HydrophobicContact CE1-CG 4.45Å; F251-P257 HydrophobicContact CZ-CB 4.37Å
258	V	86.6	Confident	72.5	Confident	8 Å²	8	103.7 Å²	103.7	5%	0.048	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.9	170.4	-64.3	0	0	0	0	110.2	V249 K250 I252	V249-V258 WeakPolarHBondContact CA-O 3.48Å; K250-V258 HydrophobicContact CB-CG2 4.21Å; K250-V258 PolarHBondContact N-O 3.48Å; K250-V258 WeakPolarHBondContact O-CG2 3.37Å; K250-V258 PolarHBondContact O-N 3.12Å; I252-V258 HydrophobicContact CD1-CB 4.37Å; I252-V258 HydrophobicContact CD1-CG1 3.51Å; I252-V258 HydrophobicContact CD1-CG2 3.96Å; I252-V258 HydrophobicContact CG1-CG1 3.94Å; I252-V258 HydrophobicContact CG1-CG2 3.73Å
259	I	84.2	Confident	72	Confident	6 Å²	6	103.3 Å²	103.3	3%	0.031	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.4	172.8	-67.9	162.8	0	0	0	108.1	Q53 L233 L236 Y237 P247 F261	Q53-I259 PolarHBondContact NE2-O 3.48Å; L233-I259 HydrophobicContact CB-CD1 4.28Å; L233-I259 HydrophobicContact CD2-CD1 3.88Å; L233-I259 HydrophobicContact CD2-CG1 3.97Å; L233-I259 WeakPolarHBondContact O-CD1 3.4Å; L236-I259 HydrophobicContact CB-CD1 4.26Å; L236-I259 HydrophobicContact CD2-CD1 4.26Å; L236-I259 HydrophobicContact CG-CD1 4.24Å; Y237-I259 HydrophobicContact CD1-CD1 3.63Å; Y237-I259 HydrophobicContact CD1-CG1 3.93Å; Y237-I259 HydrophobicContact CE1-CD1 4.39Å; Y237-I259 HydrophobicContact CE1-CG1 4.21Å; Y237-I259 HydrophobicContact CG-CD1 3.99Å; P247-I259 HydrophobicContact CB-CG2 3.67Å; I259-F261 HydrophobicContact CB-CE2 4.33Å; I259-F261 HydrophobicContact CG2-CD2 4.32Å; I259-F261 HydrophobicContact CG2-CE1 4.22Å; I259-F261 HydrophobicContact CG2-CE2 3.75Å; I259-F261 HydrophobicContact CG2-CZ 3.69Å
260	L	80.4	Confident	71.4	Confident	69 Å²	69	104.9 Å²	104.9	36%	0.361	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.1	167.9	-82.5	169.4	0	0	0	110.3	K248 K250	K248-L260 PolarHBondContact N-O 3.44Å; K248-L260 VanDerWaalsContact N-O 3.09Å; K248-L260 PolarHBondContact O-N 3.26Å; K250-L260 HydrophobicContact CB-CD1 3.75Å; K250-L260 HydrophobicContact CB-CG 4.38Å; K250-L260 HydrophobicContact CD-CD1 3.46Å; K250-L260 VanDerWaalsContact CD-CD1 3.46Å; K250-L260 HydrophobicContact CG-CD1 4.24Å
261	F	71.8	Confident	70.6	Confident	43 Å²	43	103.9 Å²	103.9	19%	0.189	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.7	175.7	-62	-92.2	0	0	0	108.9	D57 L59 L236 T240 I259	D57-F261 HydrophobicContact CB-CD2 4.07Å; D57-F261 WeakPolarHBondContact OD2-CD2 3.06Å; L59-F261 HydrophobicContact CD1-CD2 4.38Å; L59-F261 HydrophobicContact CD1-CE2 3.52Å; L59-F261 HydrophobicContact CD1-CZ 3.74Å; L59-F261 HydrophobicContact CD2-CD1 4.12Å; L59-F261 HydrophobicContact CD2-CD2 3.99Å; L59-F261 HydrophobicContact CD2-CE1 3.74Å; L59-F261 HydrophobicContact CD2-CE2 3.66Å; L59-F261 HydrophobicContact CD2-CG 4.22Å; L59-F261 HydrophobicContact CD2-CZ 3.53Å; L59-F261 HydrophobicContact CG-CE2 4.15Å; L59-F261 HydrophobicContact CG-CZ 4.29Å; L236-F261 HydrophobicContact CD1-CZ 4.02Å; L236-F261 HydrophobicContact CD2-CE2 4.24Å; L236-F261 HydrophobicContact CD2-CZ 3.9Å; L236-F261 HydrophobicContact CG-CZ 3.94Å; T240-F261 HydrophobicContact CG2-CD1 3.96Å; T240-F261 HydrophobicContact CG2-CE1 3.56Å; T240-F261 VanDerWaalsContact OG1-CE1 3.28Å; T240-F261 WeakPolarHBondContact OG1-CE1 3.17Å; I259-F261 HydrophobicContact CB-CE2 4.33Å; I259-F261 HydrophobicContact CG2-CD2 4.32Å; I259-F261 HydrophobicContact CG2-CE1 4.22Å; I259-F261 HydrophobicContact CG2-CE2 3.75Å; I259-F261 HydrophobicContact CG2-CZ 3.69Å
262	E	63.1	Low	69.6	Low	99 Å²	99	103.3 Å²	103.3	46%	0.463	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-78.1	127.5	164.5	-75.2	179.8	177.2	0	0	108.2	K248 L264	K248-E262 WeakPolarHBondContact CE-OE1 3.34Å; K248-E262 IonicContact NZ-OE1 3.8Å; K248-E262 PolarHBondContact NZ-OE1 3.29Å; K248-E262 IonicContact NZ-OE2 3.85Å; K248-E262 PolarHBondContact NZ-OE2 3.42Å; E262-L264 PolarHBondContact O-N 2.92Å
263	P	53.7	Low	68.9	Low	117 Å²	117	106.2 Å²	106.2	76%	0.76	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-56.2	138.7	171.9	-12.9	21.9	0	0	0	109.1	R265	P263-R265 PolarHBondContact O-N 2.94Å; P263-R265 VanDerWaalsContact O-N 3.13Å
264	L	53	Low	68.2	Low	107 Å²	107	99.6 Å²	99.6	56%	0.56	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-54.6	123.8	169.4	-73.7	163.7	0	0	0	107.6	Y245 E262 K266	Y245-L264 HydrophobicContact CD1-CD1 3.9Å; Y245-L264 HydrophobicContact CD1-CG 3.85Å; Y245-L264 HydrophobicContact CE1-CD1 3.54Å; Y245-L264 HydrophobicContact CE1-CG 3.86Å; E262-L264 PolarHBondContact O-N 2.92Å; L264-K266 PolarHBondContact O-N 3.35Å
265	R	48.9	Very low	67.5	Low	227 Å²	227	102.5 Å²	102.5	86%	0.857	49%	0.485	S	S	*	.			trans	-51.9	114.7	167.9	-84.8	-176.1	175.8	-179.5	-2	106.5	P263 H267	P263-R265 PolarHBondContact O-N 2.94Å; P263-R265 VanDerWaalsContact O-N 3.13Å; R265-H267 PolarHBondContact O-N 2.88Å
266	K	44.2	Very low	66.5	Low	209 Å²	209	99.6 Å²	99.6	91%	0.909	47%	0.467	S	S	*	.			trans	-61.5	111	167.4	-72.7	-176.4	177	-178.3	0	105.7	L264	L264-K266 PolarHBondContact O-N 3.35Å
267	H	40.3	Very low	64.9	Low	248 Å²	248	104.5 Å²	104.5	100%	1.148	49%	0.494	S	S	*	.			trans	-77.3	0	164	-79.8	-62.8	0	0	0	108.7	R265	R265-H267 PolarHBondContact O-N 2.88Å

Retrieved 267 of 267 residues in 228.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).