A0A087YE13_POEFO Loading...

CDP-diacylglycerol--inositol 3-phosphatidyltransferase

Catalyzes the biosynthesis of phosphatidylinositol (PtdIns) as well as PtdIns:inositol exchange reaction. May thus act to reduce an excessive cellular PtdIns content. The exchange activity is due to the reverse reaction of PtdIns synthase and is dependent on CMP, which is tightly bound to the enzyme.

AlphaFold DB , UniProt , Accession A0A087YE13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 212 aa.

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(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	48.2	Very low	82.8	Confident	241 Å²	241	110 Å²	110	100%	1.187	56%	0.558	S	S	*	*				0	112.2	0	-70.3	-176.1	-88.2	0	0	106.8	Q3	M1-Q3 PolarHBondContact O-N 3.27Å
2	T	59.3	Low	83.8	Confident	142 Å²	142	101 Å²	101	87%	0.871	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-64	118.5	173.3	35.1	0	0	0	0	108	E4	T2-E4 PolarHBondContact O-N 3.36Å
3	Q	75.3	Confident	84.7	Confident	192 Å²	192	99.7 Å²	99.7	90%	0.897	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-64.7	124.2	179.5	-159.1	172.8	4.4	0	0	108.4	M1 N5	M1-Q3 PolarHBondContact O-N 3.27Å; Q3-N5 PolarHBondContact O-N 3.34Å
4	E	81.3	Confident	85.5	Confident	156 Å²	156	95.2 Å²	95.2	73%	0.729	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-64.3	128.7	179.1	-68.8	-176.5	160.4	0	0	110.1	T2 I6 F9	T2-E4 PolarHBondContact O-N 3.36Å; E4-I6 PolarHBondContact O-N 3.13Å; E4-F9 HydrophobicContact CB-CE1 4.44Å
5	N	89.6	Confident	86.1	Confident	79 Å²	79	88.9 Å²	88.9	42%	0.422	45%	0.453	S	S	.	.			trans	-91	97.7	178.4	-171.3	-10.9	0	0	0	109.9	Q3 F7 L8	Q3-N5 PolarHBondContact O-N 3.34Å; N5-F7 PolarHBondContact O-N 3.37Å; N5-F7 VanDerWaalsContact O-N 3.13Å; N5-F7 WeakPolarHBondContact OD1-CB 3.35Å; N5-F7 VanDerWaalsContact OD1-CD2 3.29Å; N5-F7 WeakPolarHBondContact OD1-CD2 3.38Å; N5-F7 PolarHBondContact OD1-N 2.97Å; N5-F7 VanDerWaalsContact OD1-N 3.09Å; N5-L8 HydrophobicContact CB-CB 4.5Å; N5-L8 HydrophobicContact CB-CD1 4.13Å; N5-L8 HydrophobicContact CB-CG 4.27Å; N5-L8 PolarHBondContact O-N 3.09Å
6	I	90.4	Very high	86.8	Confident	76 Å²	76	88.3 Å²	88.3	39%	0.39	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-53	-34.7	178.6	-64.6	168.8	0	0	0	111.7	E4 L8 F9 N12 T61	E4-I6 PolarHBondContact O-N 3.13Å; I6-L8 PolarHBondContact O-N 3.16Å; I6-L8 VanDerWaalsContact O-N 3.15Å; I6-F9 HydrophobicContact CB-CE2 4.47Å; I6-F9 HydrophobicContact CG1-CE2 4.17Å; I6-F9 HydrophobicContact CG1-CZ 4.11Å; I6-F9 HydrophobicContact CG2-CD2 4.3Å; I6-F9 HydrophobicContact CG2-CE2 4.41Å; I6-F9 WeakPolarHBondContact O-CB 3.29Å; I6-F9 WeakPolarHBondContact O-CG 3.27Å; I6-F9 PolarHBondContact O-N 3.15Å; I6-F9 VanDerWaalsContact O-N 3.16Å; I6-N12 PolarHBondContact O-ND2 3.06Å; I6-T61 HydrophobicContact CG2-CG2 3.7Å
7	F	91.3	Very high	87.4	Confident	112 Å²	112	85.6 Å²	85.6	49%	0.491	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-64.7	-19.8	-179.3	-60.9	-70.9	0	0	0	113.6	N5 Y16 F63	N5-F7 PolarHBondContact O-N 3.37Å; N5-F7 VanDerWaalsContact O-N 3.13Å; N5-F7 WeakPolarHBondContact OD1-CB 3.35Å; N5-F7 VanDerWaalsContact OD1-CD2 3.29Å; N5-F7 WeakPolarHBondContact OD1-CD2 3.38Å; N5-F7 PolarHBondContact OD1-N 2.97Å; N5-F7 VanDerWaalsContact OD1-N 3.09Å; F7-Y16 VanDerWaalsContact O-CE2 3.27Å; F7-Y16 WeakPolarHBondContact O-CE2 3.39Å; F7-Y16 PolarHBondContact O-OH 2.77Å; F7-Y16 VanDerWaalsContact O-OH 3.06Å; F7-F63 HydrophobicContact CD1-CD1 4.26Å; F7-F63 AromaticContact CD1-CE1 3.81Å; F7-F63 HydrophobicContact CD1-CE1 3.81Å; F7-F63 HydrophobicContact CD1-CE2 4.39Å; F7-F63 AromaticContact CD1-CZ 3.88Å; F7-F63 HydrophobicContact CD1-CZ 3.88Å; F7-F63 HydrophobicContact CE1-CD1 4.38Å; F7-F63 HydrophobicContact CE1-CD2 4.2Å; F7-F63 HydrophobicContact CE1-CE1 4.12Å; F7-F63 AromaticContact CE1-CE2 3.91Å; F7-F63 HydrophobicContact CE1-CE2 3.91Å; F7-F63 HydrophobicContact CE1-CG 4.42Å; F7-F63 AromaticContact CE1-CZ 3.87Å; F7-F63 HydrophobicContact CE1-CZ 3.87Å
8	L	92.2	Very high	87.9	Confident	112 Å²	112	80.9 Å²	80.9	59%	0.586	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-101.2	7.6	-179.7	-60.1	179.1	0	0	0	113.1	N5 I6 L13	N5-L8 HydrophobicContact CB-CB 4.5Å; N5-L8 HydrophobicContact CB-CD1 4.13Å; N5-L8 HydrophobicContact CB-CG 4.27Å; N5-L8 PolarHBondContact O-N 3.09Å; I6-L8 PolarHBondContact O-N 3.16Å; I6-L8 VanDerWaalsContact O-N 3.15Å; L8-L13 HydrophobicContact CD2-CD2 4.41Å
9	F	95	Very high	88.4	Confident	28 Å²	28	79.4 Å²	79.4	12%	0.123	41%	0.409	C	S	.	.	S	Bend	trans	-60.8	142.1	173.7	-74.1	3.4	0	0	0	110.4	E4 I6 P11 N12 L13 Q59 T61	E4-F9 HydrophobicContact CB-CE1 4.44Å; I6-F9 HydrophobicContact CB-CE2 4.47Å; I6-F9 HydrophobicContact CG1-CE2 4.17Å; I6-F9 HydrophobicContact CG1-CZ 4.11Å; I6-F9 HydrophobicContact CG2-CD2 4.3Å; I6-F9 HydrophobicContact CG2-CE2 4.41Å; I6-F9 WeakPolarHBondContact O-CB 3.29Å; I6-F9 WeakPolarHBondContact O-CG 3.27Å; I6-F9 PolarHBondContact O-N 3.15Å; I6-F9 VanDerWaalsContact O-N 3.16Å; F9-P11 HydrophobicContact CB-CG 4.22Å; F9-N12 WeakPolarHBondContact O-CA 3.38Å; F9-N12 WeakPolarHBondContact O-CB 3.42Å; F9-N12 PolarHBondContact O-N 3.28Å; F9-L13 PolarHBondContact O-N 3.11Å; F9-Q59 HydrophobicContact CB-CB 4.2Å; F9-Q59 HydrophobicContact CB-CG 4.41Å; F9-Q59 HydrophobicContact CD2-CB 3.71Å; F9-Q59 HydrophobicContact CD2-CG 3.95Å; F9-Q59 HydrophobicContact CE2-CB 4.28Å; F9-Q59 HydrophobicContact CE2-CG 4.28Å; F9-Q59 HydrophobicContact CG-CB 4.11Å; F9-Q59 HydrophobicContact CG-CG 4.07Å; F9-T61 HydrophobicContact CD2-CG2 3.78Å; F9-T61 HydrophobicContact CE2-CG2 3.69Å
10	V	94.1	Very high	88.8	Confident	63 Å²	63	80.2 Å²	80.2	38%	0.382	42%	0.417	S	S	.	.	H	α-helix	trans	-50.6	-47.9	-178.4	179.4	0	0	0	0	112.8	N12 L13 I14 A53 L57	V10-N12 VanDerWaalsContact C-N 3.27Å; V10-N12 PolarHBondContact O-N 3.43Å; V10-L13 PolarHBondContact O-N 3.31Å; V10-I14 HydrophobicContact CG1-CD1 4.19Å; V10-I14 WeakPolarHBondContact O-CG1 3.29Å; V10-I14 PolarHBondContact O-N 2.93Å; V10-I14 VanDerWaalsContact O-N 3.07Å; V10-A53 HydrophobicContact CG1-CB 4.38Å; V10-L57 HydrophobicContact CB-CD1 3.65Å; V10-L57 HydrophobicContact CG1-CD1 3.94Å; V10-L57 HydrophobicContact CG2-CD1 3.75Å
11	P	94	Very high	89.3	Confident	9 Å²	9	78 Å²	78	6%	0.058	41%	0.406	C	S	.	.	H	α-helix	trans	-60.2	-34.7	175.7	24.6	-36.9	0	0	0	113.2	F9 I14 G15 D50 A54 Q59	F9-P11 HydrophobicContact CB-CG 4.22Å; P11-I14 PolarHBondContact O-N 2.87Å; P11-G15 PolarHBondContact O-N 3.43Å; P11-D50 HydrophobicContact CB-CB 4.17Å; P11-D50 WeakPolarHBondContact CB-O 3.29Å; P11-A54 HydrophobicContact CB-CB 3.88Å; P11-A54 HydrophobicContact CG-CB 3.98Å; P11-Q59 VanDerWaalsContact CD-OE1 3.28Å; P11-Q59 HydrophobicContact CG-CB 3.94Å
12	N	94.7	Very high	91.6	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.011	35%	0.351	C	S	.	.	H	α-helix	trans	-72.5	-35.8	178.6	-68.3	-25.6	0	0	0	111.9	I6 F9 V10 I14 G15 Y16 G64 M67	I6-N12 PolarHBondContact O-ND2 3.06Å; F9-N12 WeakPolarHBondContact O-CA 3.38Å; F9-N12 WeakPolarHBondContact O-CB 3.42Å; F9-N12 PolarHBondContact O-N 3.28Å; V10-N12 VanDerWaalsContact C-N 3.27Å; V10-N12 PolarHBondContact O-N 3.43Å; N12-I14 VanDerWaalsContact C-N 3.34Å; N12-G15 PolarHBondContact O-N 2.88Å; N12-Y16 HydrophobicContact CB-CE2 4.44Å; N12-Y16 VanDerWaalsContact O-CD2 3.29Å; N12-Y16 WeakPolarHBondContact O-CD2 3.42Å; N12-Y16 VanDerWaalsContact O-CG 3.24Å; N12-Y16 PolarHBondContact O-N 3.2Å; N12-G64 WeakPolarHBondContact OD1-CA 3.39Å; N12-M67 HydrophobicContact CB-CE 4.17Å
13	L	95.9	Very high	93.4	Very high	84 Å²	84	65.1 Å²	65.1	44%	0.44	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-40.1	173.1	-63	179.2	0	0	0	111.7	L8 F9 V10 G15 Y16 A17	L8-L13 HydrophobicContact CD2-CD2 4.41Å; F9-L13 PolarHBondContact O-N 3.11Å; V10-L13 PolarHBondContact O-N 3.31Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-Y16 HydrophobicContact CD2-CD2 4.06Å; L13-Y16 HydrophobicContact CD2-CE2 4.18Å; L13-Y16 PolarHBondContact O-N 3.07Å; L13-A17 PolarHBondContact O-N 3.14Å
14	I	95.4	Very high	94.4	Very high	37 Å²	37	59.5 Å²	59.5	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-43.9	172.2	-63	166.4	0	0	0	110	V10 P11 N12 Y16 A17 R18 L46 D50 A53	V10-I14 HydrophobicContact CG1-CD1 4.19Å; V10-I14 WeakPolarHBondContact O-CG1 3.29Å; V10-I14 PolarHBondContact O-N 2.93Å; V10-I14 VanDerWaalsContact O-N 3.07Å; P11-I14 PolarHBondContact O-N 2.87Å; N12-I14 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 3.43Å; I14-A17 WeakPolarHBondContact O-CA 3.44Å; I14-A17 WeakPolarHBondContact O-CB 3.47Å; I14-A17 PolarHBondContact O-N 3.33Å; I14-A17 VanDerWaalsContact O-N 3.1Å; I14-R18 PolarHBondContact O-N 2.74Å; I14-L46 HydrophobicContact CG2-CB 4.13Å; I14-L46 HydrophobicContact CG2-CD2 4.44Å; I14-D50 HydrophobicContact CB-CB 3.91Å; I14-D50 HydrophobicContact CD1-CB 4.44Å; I14-D50 HydrophobicContact CG2-CB 3.76Å; I14-A53 HydrophobicContact CD1-CB 4.09Å
15	G	94.8	Very high	95.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-42	174.7	0	0	0	0	0	113.5	P11 N12 L13 A17 R18 V19	P11-G15 PolarHBondContact O-N 3.43Å; N12-G15 PolarHBondContact O-N 2.88Å; L13-G15 VanDerWaalsContact C-N 3.34Å; G15-A17 VanDerWaalsContact C-N 3.34Å; G15-A17 PolarHBondContact O-N 3.13Å; G15-R18 WeakPolarHBondContact O-CB 3.41Å; G15-R18 PolarHBondContact O-N 3.2Å; G15-V19 WeakPolarHBondContact O-CG2 3.46Å; G15-V19 PolarHBondContact O-N 3.4Å
16	Y	96.5	Very high	95.4	Very high	78 Å²	78	50.3 Å²	50.3	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-38.9	173.9	-55.5	-35.9	0	0	0	112.3	F7 N12 L13 I14 R18 V19 V20 F63 M67	F7-Y16 VanDerWaalsContact O-CE2 3.27Å; F7-Y16 WeakPolarHBondContact O-CE2 3.39Å; F7-Y16 PolarHBondContact O-OH 2.77Å; F7-Y16 VanDerWaalsContact O-OH 3.06Å; N12-Y16 HydrophobicContact CB-CE2 4.44Å; N12-Y16 VanDerWaalsContact O-CD2 3.29Å; N12-Y16 WeakPolarHBondContact O-CD2 3.42Å; N12-Y16 VanDerWaalsContact O-CG 3.24Å; N12-Y16 PolarHBondContact O-N 3.2Å; L13-Y16 HydrophobicContact CD2-CD2 4.06Å; L13-Y16 HydrophobicContact CD2-CE2 4.18Å; L13-Y16 PolarHBondContact O-N 3.07Å; I14-Y16 PolarHBondContact O-N 3.43Å; Y16-R18 VanDerWaalsContact C-N 3.32Å; Y16-R18 PolarHBondContact O-N 3.14Å; Y16-V19 PolarHBondContact O-N 3.3Å; Y16-V20 WeakPolarHBondContact O-CG2 3.33Å; Y16-V20 PolarHBondContact O-N 2.9Å; Y16-F63 HydrophobicContact CE1-CE1 4.47Å; Y16-M67 HydrophobicContact CD1-CE 4.38Å; Y16-M67 HydrophobicContact CD1-SD 3.64Å; Y16-M67 HydrophobicContact CE1-CE 4.23Å; Y16-M67 HydrophobicContact CE1-SD 3.38Å; Y16-M67 WeakPolarHBondContact CE1-SD 3.13Å
17	A	97	Very high	95.7	Very high	43 Å²	43	55 Å²	55	36%	0.355	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-39.6	174.2	0	0	0	0	0	111.7	L13 I14 G15 V20 L21	L13-A17 PolarHBondContact O-N 3.14Å; I14-A17 WeakPolarHBondContact O-CA 3.44Å; I14-A17 WeakPolarHBondContact O-CB 3.47Å; I14-A17 PolarHBondContact O-N 3.33Å; I14-A17 VanDerWaalsContact O-N 3.1Å; G15-A17 VanDerWaalsContact C-N 3.34Å; G15-A17 PolarHBondContact O-N 3.13Å; A17-V20 PolarHBondContact O-N 3.43Å; A17-L21 WeakPolarHBondContact O-CB 3.41Å; A17-L21 WeakPolarHBondContact O-CG 3.35Å; A17-L21 PolarHBondContact O-N 3.42Å
18	R	96.9	Very high	95.9	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-49.6	172.1	-70.6	171.9	60.9	-160.6	0.5	111.4	I14 G15 Y16 V20 L21 A22 S43 L46 D47 D50 D68 T71 D72	I14-R18 PolarHBondContact O-N 2.74Å; G15-R18 WeakPolarHBondContact O-CB 3.41Å; G15-R18 PolarHBondContact O-N 3.2Å; Y16-R18 VanDerWaalsContact C-N 3.32Å; Y16-R18 PolarHBondContact O-N 3.14Å; R18-V20 VanDerWaalsContact C-N 3.31Å; R18-V20 PolarHBondContact O-N 3Å; R18-L21 PolarHBondContact O-N 3.31Å; R18-A22 WeakPolarHBondContact O-CB 3.41Å; R18-A22 PolarHBondContact O-N 3.38Å; R18-S43 WeakPolarHBondContact CG-O 3.31Å; R18-S43 PolarHBondContact NE-O 2.84Å; R18-S43 PolarHBondContact O-OG 3.36Å; R18-L46 HydrophobicContact CG-CB 3.63Å; R18-L46 HydrophobicContact CG-CD1 4.46Å; R18-D47 IonicContact CZ-OD1 2.66Å; R18-D47 VanDerWaalsContact CZ-OD1 3.24Å; R18-D47 IonicContact NH1-OD1 3.72Å; R18-D47 PolarHBondContact NH1-OD1 3.13Å; R18-D47 VanDerWaalsContact NH1-OD1 3.13Å; R18-D47 IonicContact NH2-OD1 3.35Å; R18-D47 PolarHBondContact NH2-OD1 3.25Å; R18-D50 WeakPolarHBondContact CD-OD2 3.32Å; R18-D50 IonicContact CZ-OD2 3.96Å; R18-D50 IonicContact NE-OD2 2.71Å; R18-D50 IonicContact NH1-OD1 2.98Å; R18-D50 IonicContact NH1-OD2 3.34Å; R18-D50 PolarHBondContact NH1-OD2 3.38Å; R18-D68 IonicContact CZ-OD1 2.65Å; R18-D68 IonicContact NH1-OD1 3.24Å; R18-D68 PolarHBondContact NH1-OD1 3.41Å; R18-D68 IonicContact NH2-OD1 3.75Å; R18-D68 PolarHBondContact NH2-OD1 3.23Å; R18-T71 HydrophobicContact CB-CG2 4.18Å; R18-D72 IonicContact CZ-OD1 3.55Å; R18-D72 IonicContact NH2-OD1 3.76Å; R18-D72 PolarHBondContact NH2-OD1 2.99Å
19	V	96.9	Very high	96	Very high	52 Å²	52	46 Å²	46	32%	0.315	24%	0.238	S	C	.	.	H	α-helix	trans	-57.1	-45.6	177.7	174.2	0	0	0	0	111.3	G15 Y16 A22 L23 T71	G15-V19 WeakPolarHBondContact O-CG2 3.46Å; G15-V19 PolarHBondContact O-N 3.4Å; Y16-V19 PolarHBondContact O-N 3.3Å; V19-A22 PolarHBondContact O-N 3.07Å; V19-L23 HydrophobicContact CG1-CD1 4.09Å; V19-L23 HydrophobicContact CG1-CG 4.47Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.31Å; V19-T71 HydrophobicContact CG2-CG2 3.85Å; V19-T71 WeakPolarHBondContact CG2-OG1 3.49Å
20	V	97.9	Very high	95.8	Very high	95 Å²	95	49.7 Å²	49.7	58%	0.576	27%	0.265	S	S	*	.	H	α-helix	trans	-63.3	-44.3	178.1	173	0	0	0	0	111.7	Y16 A17 R18 L23 L24	Y16-V20 WeakPolarHBondContact O-CG2 3.33Å; Y16-V20 PolarHBondContact O-N 2.9Å; A17-V20 PolarHBondContact O-N 3.43Å; R18-V20 VanDerWaalsContact C-N 3.31Å; R18-V20 PolarHBondContact O-N 3Å; V20-L23 PolarHBondContact O-N 3.33Å; V20-L24 WeakPolarHBondContact O-CB 3.32Å; V20-L24 PolarHBondContact O-N 2.81Å
21	L	97.7	Very high	95.7	Very high	34 Å²	34	50.5 Å²	50.5	18%	0.178	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-40.6	177.3	-74.8	168.6	0	0	0	112.2	A17 R18 L24 S25 L42 L46	A17-L21 WeakPolarHBondContact O-CB 3.41Å; A17-L21 WeakPolarHBondContact O-CG 3.35Å; A17-L21 PolarHBondContact O-N 3.42Å; R18-L21 PolarHBondContact O-N 3.31Å; L21-L24 PolarHBondContact O-N 2.91Å; L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 3.46Å; L21-L42 HydrophobicContact CD1-CB 4.41Å; L21-L42 HydrophobicContact CD1-CD2 3.96Å; L21-L42 HydrophobicContact CD1-CG 3.89Å; L21-L42 HydrophobicContact CD2-CD2 4.09Å; L21-L46 HydrophobicContact CD1-CD1 3.6Å
22	A	96.9	Very high	95.7	Very high	5 Å²	5	52.2 Å²	52.2	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-48.9	175.2	0	0	0	0	0	111.1	R18 V19 L24 S25 F26 A75	R18-A22 WeakPolarHBondContact O-CB 3.41Å; R18-A22 PolarHBondContact O-N 3.38Å; V19-A22 PolarHBondContact O-N 3.07Å; A22-L24 VanDerWaalsContact C-N 3.34Å; A22-L24 PolarHBondContact O-N 3.19Å; A22-S25 WeakPolarHBondContact O-CA 3.5Å; A22-S25 VanDerWaalsContact O-CB 3.26Å; A22-S25 WeakPolarHBondContact O-CB 3.38Å; A22-S25 PolarHBondContact O-N 3.48Å; A22-S25 VanDerWaalsContact O-N 3.12Å; A22-F26 VanDerWaalsContact C-CE2 3.49Å; A22-F26 HydrophobicContact CB-CE2 3.92Å; A22-F26 HydrophobicContact CB-CZ 3.75Å; A22-F26 WeakPolarHBondContact O-CD1 3.35Å; A22-F26 WeakPolarHBondContact O-CD2 3.14Å; A22-F26 VanDerWaalsContact O-CE2 3.24Å; A22-F26 WeakPolarHBondContact O-CE2 3.31Å; A22-F26 WeakPolarHBondContact O-CG 3.5Å; A22-F26 WeakPolarHBondContact O-CZ 3.42Å; A22-F26 PolarHBondContact O-N 2.91Å; A22-A75 HydrophobicContact CB-CB 4.37Å
23	L	96.8	Very high	95.6	Very high	108 Å²	108	53.4 Å²	53.4	57%	0.565	29%	0.293	S	S	*	.	H	α-helix	trans	-60.3	-42.8	176.5	-70.3	174.5	0	0	0	112.3	V19 V20 S25 F26 Y27	V19-L23 HydrophobicContact CG1-CD1 4.09Å; V19-L23 HydrophobicContact CG1-CG 4.47Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.31Å; V20-L23 PolarHBondContact O-N 3.33Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 3.15Å; L23-F26 HydrophobicContact CD2-CD2 4.4Å; L23-F26 PolarHBondContact O-N 3.31Å; L23-Y27 PolarHBondContact O-N 3.32Å
24	L	97.3	Very high	95.5	Very high	75 Å²	75	56.7 Å²	56.7	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-41	175.4	-177.9	60.2	0	0	0	110.9	V20 L21 A22 Y27 L28	V20-L24 WeakPolarHBondContact O-CB 3.32Å; V20-L24 PolarHBondContact O-N 2.81Å; L21-L24 PolarHBondContact O-N 2.91Å; A22-L24 VanDerWaalsContact C-N 3.34Å; A22-L24 PolarHBondContact O-N 3.19Å; L24-Y27 PolarHBondContact O-N 3.44Å; L24-L28 HydrophobicContact CD1-CD1 3.83Å; L24-L28 HydrophobicContact CD1-CG 4.11Å; L24-L28 HydrophobicContact CD2-CD1 4.47Å; L24-L28 HydrophobicContact CG-CD1 3.74Å; L24-L28 HydrophobicContact CG-CG 4.41Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 WeakPolarHBondContact O-CG 3.19Å; L24-L28 PolarHBondContact O-N 2.91Å
25	S	97.3	Very high	95.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-56.7	-51.6	174	-177.5	0	0	0	0	111.3	L21 A22 L23 Y27 L28 M29 A36 Y40	L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 3.46Å; A22-S25 WeakPolarHBondContact O-CA 3.5Å; A22-S25 VanDerWaalsContact O-CB 3.26Å; A22-S25 WeakPolarHBondContact O-CB 3.38Å; A22-S25 PolarHBondContact O-N 3.48Å; A22-S25 VanDerWaalsContact O-N 3.12Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 3.15Å; S25-Y27 VanDerWaalsContact C-N 3.3Å; S25-Y27 PolarHBondContact O-N 3.43Å; S25-L28 CarbonylContact O-C 3.5Å; S25-L28 PolarHBondContact O-N 3.41Å; S25-M29 WeakPolarHBondContact O-CG 3.36Å; S25-M29 PolarHBondContact O-N 3.1Å; S25-A36 WeakPolarHBondContact CB-O 3.43Å; S25-A36 PolarHBondContact OG-O 3.22Å; S25-Y40 WeakPolarHBondContact OG-CB 3.47Å
26	F	94.8	Very high	95.7	Very high	41 Å²	41	57.9 Å²	57.9	18%	0.18	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-37.4	-178.1	-49.4	-33.9	0	0	0	112.7	A22 L23 L28 M29 P30 Y40 A75 C78	A22-F26 VanDerWaalsContact C-CE2 3.49Å; A22-F26 HydrophobicContact CB-CE2 3.92Å; A22-F26 HydrophobicContact CB-CZ 3.75Å; A22-F26 WeakPolarHBondContact O-CD1 3.35Å; A22-F26 WeakPolarHBondContact O-CD2 3.14Å; A22-F26 VanDerWaalsContact O-CE2 3.24Å; A22-F26 WeakPolarHBondContact O-CE2 3.31Å; A22-F26 WeakPolarHBondContact O-CG 3.5Å; A22-F26 WeakPolarHBondContact O-CZ 3.42Å; A22-F26 PolarHBondContact O-N 2.91Å; L23-F26 HydrophobicContact CD2-CD2 4.4Å; L23-F26 PolarHBondContact O-N 3.31Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-M29 HydrophobicContact CD1-CE 3.69Å; F26-M29 HydrophobicContact CD1-SD 4.03Å; F26-M29 HydrophobicContact CE1-CE 4.03Å; F26-P30 WeakPolarHBondContact O-CD 3.45Å; F26-Y40 HydrophobicContact CE1-CD2 4.1Å; F26-Y40 HydrophobicContact CE1-CE2 4.11Å; F26-A75 HydrophobicContact CZ-CB 3.98Å; F26-C78 HydrophobicContact CD1-CB 3.62Å; F26-C78 HydrophobicContact CD2-CB 3.72Å; F26-C78 HydrophobicContact CE1-CB 3.54Å; F26-C78 HydrophobicContact CE2-CB 3.62Å; F26-C78 HydrophobicContact CG-CB 3.77Å; F26-C78 HydrophobicContact CZ-CB 3.59Å
27	Y	95.9	Very high	95.6	Very high	176 Å²	176	54.9 Å²	54.9	69%	0.69	30%	0.299	S	S	*	.	H	α-helix	trans	-64.4	-37.7	174.6	178.1	-101.4	0	0	0	112.3	L23 L24 S25 P30	L23-Y27 PolarHBondContact O-N 3.32Å; L24-Y27 PolarHBondContact O-N 3.44Å; S25-Y27 VanDerWaalsContact C-N 3.3Å; S25-Y27 PolarHBondContact O-N 3.43Å; Y27-P30 WeakPolarHBondContact O-CD 3.48Å
28	L	96.3	Very high	95.6	Very high	30 Å²	30	59.2 Å²	59.2	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-81.8	-24.1	-178.9	-66.6	171.2	0	0	0	113.2	L24 S25 F26 P30 S31 S32 P35 A36	L24-L28 HydrophobicContact CD1-CD1 3.83Å; L24-L28 HydrophobicContact CD1-CG 4.11Å; L24-L28 HydrophobicContact CD2-CD1 4.47Å; L24-L28 HydrophobicContact CG-CD1 3.74Å; L24-L28 HydrophobicContact CG-CG 4.41Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 WeakPolarHBondContact O-CG 3.19Å; L24-L28 PolarHBondContact O-N 2.91Å; S25-L28 CarbonylContact O-C 3.5Å; S25-L28 PolarHBondContact O-N 3.41Å; F26-L28 VanDerWaalsContact C-N 3.32Å; L28-P30 VanDerWaalsContact C-CD 3.43Å; L28-P30 VanDerWaalsContact C-N 3.31Å; L28-P30 VanDerWaalsContact O-N 3.14Å; L28-S31 PolarHBondContact O-N 3.31Å; L28-S31 PolarHBondContact O-OG 3.41Å; L28-S32 CarbonylContact O-C 3.58Å; L28-S32 PolarHBondContact O-N 3.01Å; L28-P35 HydrophobicContact CD1-CB 3.91Å; L28-A36 HydrophobicContact CB-CB 3.79Å
29	M	94.7	Very high	95.6	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.025	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-39.3	-175.7	-80.7	176.3	-175.4	0	0	114.8	S25 F26 A36 Y40 L79 N82 Y156	S25-M29 WeakPolarHBondContact O-CG 3.36Å; S25-M29 PolarHBondContact O-N 3.1Å; F26-M29 HydrophobicContact CD1-CE 3.69Å; F26-M29 HydrophobicContact CD1-SD 4.03Å; F26-M29 HydrophobicContact CE1-CE 4.03Å; M29-A36 HydrophobicContact CB-CB 4.4Å; M29-A36 HydrophobicContact CG-CB 3.87Å; M29-Y40 HydrophobicContact CE-CD2 4.09Å; M29-L79 HydrophobicContact CE-CB 4.24Å; M29-L79 HydrophobicContact CE-CD1 3.67Å; M29-L79 HydrophobicContact SD-CD1 4.41Å; M29-N82 WeakPolarHBondContact CB-ND2 3.46Å; M29-N82 HydrophobicContact SD-CB 3.73Å; M29-Y156 VanDerWaalsContact CA-OH 3.27Å; M29-Y156 WeakPolarHBondContact CA-OH 3.48Å; M29-Y156 HydrophobicContact CB-CE2 4.15Å; M29-Y156 HydrophobicContact CG-CE2 4.06Å; M29-Y156 PolarHBondContact O-OH 3.06Å
30	P	89.9	Confident	95.7	Very high	105 Å²	105	57.6 Å²	57.6	68%	0.682	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.1	178.8	-19.5	34	0	0	0	114.7	F26 Y27 L28	F26-P30 WeakPolarHBondContact O-CD 3.45Å; Y27-P30 WeakPolarHBondContact O-CD 3.48Å; L28-P30 VanDerWaalsContact C-CD 3.43Å; L28-P30 VanDerWaalsContact C-N 3.31Å; L28-P30 VanDerWaalsContact O-N 3.14Å
31	S	91.9	Very high	95.6	Very high	80 Å²	80	56.5 Å²	56.5	56%	0.559	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-29.8	-166.2	61.1	0	0	0	0	114.3	L28	L28-S31 PolarHBondContact O-N 3.31Å; L28-S31 PolarHBondContact O-OG 3.41Å
32	S	94.6	Very high	95.5	Very high	45 Å²	45	57.7 Å²	57.7	32%	0.315	30%	0.297	S	S	.	.			trans	-144.7	82.3	-171.5	-71.4	0	0	0	0	110.6	L28 W34 P35 A36	L28-S32 CarbonylContact O-C 3.58Å; L28-S32 PolarHBondContact O-N 3.01Å; S32-W34 PolarHBondContact O-N 3.46Å; S32-P35 WeakPolarHBondContact O-CD 3.32Å; S32-A36 WeakPolarHBondContact O-CB 3.35Å; S32-A36 PolarHBondContact O-N 3.07Å
33	P	92.8	Very high	95.5	Very high	27 Å²	27	57.7 Å²	57.7	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-41.2	-172.5	-27.1	35.1	0	0	0	115.2	A36 V37 Y156 H160	P33-A36 WeakPolarHBondContact O-CB 3.33Å; P33-A36 PolarHBondContact O-N 3.03Å; P33-V37 WeakPolarHBondContact O-CG2 3.46Å; P33-V37 PolarHBondContact O-N 3.27Å; P33-Y156 VanDerWaalsContact CA-OH 3.29Å; P33-Y156 WeakPolarHBondContact CA-OH 3.48Å; P33-Y156 HydrophobicContact CB-CE1 3.93Å; P33-Y156 WeakPolarHBondContact CB-OH 3.49Å; P33-H160 HydrophobicContact CB-CB 4.15Å; P33-H160 HydrophobicContact CG-CB 4.26Å
34	W	93.9	Very high	95.4	Very high	152 Å²	152	54.4 Å²	54.4	58%	0.576	29%	0.285	S	S	*	.	H	α-helix	trans	-69.8	-47.9	-177.2	-54.6	109.2	0	0	0	113.1	S32 A36 V37 F38 I157 I161	S32-W34 PolarHBondContact O-N 3.46Å; W34-A36 VanDerWaalsContact C-N 3.28Å; W34-A36 PolarHBondContact O-N 3.1Å; W34-V37 PolarHBondContact O-N 3.28Å; W34-F38 WeakPolarHBondContact O-CB 3.3Å; W34-F38 PolarHBondContact O-N 3.48Å; W34-I157 HydrophobicContact CH2-CG2 4.06Å; W34-I157 HydrophobicContact CZ3-CG2 4.03Å; W34-I161 HydrophobicContact CH2-CD1 4Å; W34-I161 HydrophobicContact CH2-CG1 3.75Å; W34-I161 HydrophobicContact CZ2-CG1 4.12Å
35	P	96.4	Very high	95.1	Very high	62 Å²	62	55.7 Å²	55.7	40%	0.403	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-38.7	169.1	-29.2	38	0	0	0	113.6	L28 S32 F38 C39	L28-P35 HydrophobicContact CD1-CB 3.91Å; S32-P35 WeakPolarHBondContact O-CD 3.32Å; P35-F38 PolarHBondContact O-N 3.37Å; P35-C39 PolarHBondContact O-N 3.41Å; P35-C39 PolarHBondContact O-SG 3.15Å
36	A	96.6	Very high	95	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-49	178.2	0	0	0	0	0	111.7	S25 L28 M29 S32 P33 W34 F38 C39 Y40	S25-A36 WeakPolarHBondContact CB-O 3.43Å; S25-A36 PolarHBondContact OG-O 3.22Å; L28-A36 HydrophobicContact CB-CB 3.79Å; M29-A36 HydrophobicContact CB-CB 4.4Å; M29-A36 HydrophobicContact CG-CB 3.87Å; S32-A36 WeakPolarHBondContact O-CB 3.35Å; S32-A36 PolarHBondContact O-N 3.07Å; P33-A36 WeakPolarHBondContact O-CB 3.33Å; P33-A36 PolarHBondContact O-N 3.03Å; W34-A36 VanDerWaalsContact C-N 3.28Å; W34-A36 PolarHBondContact O-N 3.1Å; A36-F38 PolarHBondContact O-N 2.9Å; A36-C39 PolarHBondContact O-N 3.39Å; A36-Y40 WeakPolarHBondContact O-CB 3.34Å; A36-Y40 PolarHBondContact O-N 2.94Å
37	V	95.5	Very high	94.8	Very high	15 Å²	15	58 Å²	58	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-43.9	176.5	168.2	0	0	0	0	111.2	P33 W34 C39 Y40 L41 Y156 I157	P33-V37 WeakPolarHBondContact O-CG2 3.46Å; P33-V37 PolarHBondContact O-N 3.27Å; W34-V37 PolarHBondContact O-N 3.28Å; V37-C39 PolarHBondContact O-N 2.93Å; V37-Y40 PolarHBondContact O-N 3.32Å; V37-L41 HydrophobicContact CG1-CD1 3.7Å; V37-L41 HydrophobicContact CG1-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CB 3.33Å; V37-L41 WeakPolarHBondContact O-CG 3.32Å; V37-L41 PolarHBondContact O-N 2.97Å; V37-Y156 HydrophobicContact CG2-CD1 3.47Å; V37-Y156 VanDerWaalsContact CG2-CD1 3.47Å; V37-Y156 HydrophobicContact CG2-CE1 3.58Å; V37-I157 HydrophobicContact CG1-CD1 3.89Å; V37-I157 HydrophobicContact CG1-CG1 4.23Å; V37-I157 HydrophobicContact CG2-CD1 4.32Å; V37-I157 HydrophobicContact CG2-CG1 3.76Å
38	F	96.9	Very high	94.5	Very high	135 Å²	135	52 Å²	52	59%	0.592	29%	0.293	S	S	*	.	H	α-helix	trans	-59	-48	177.7	176.2	-98.2	0	0	0	111.6	W34 P35 A36 Y40 L41 L42	W34-F38 WeakPolarHBondContact O-CB 3.3Å; W34-F38 PolarHBondContact O-N 3.48Å; P35-F38 PolarHBondContact O-N 3.37Å; A36-F38 PolarHBondContact O-N 2.9Å; F38-Y40 VanDerWaalsContact C-N 3.34Å; F38-Y40 PolarHBondContact O-N 3.42Å; F38-L41 PolarHBondContact O-N 3.46Å; F38-L42 HydrophobicContact CE1-CD2 4.1Å; F38-L42 HydrophobicContact CZ-CD2 4.25Å; F38-L42 VanDerWaalsContact O-CB 3.22Å; F38-L42 WeakPolarHBondContact O-CB 3.35Å; F38-L42 PolarHBondContact O-N 3.13Å
39	C	97.6	Very high	94.2	Very high	10 Å²	10	55.8 Å²	55.8	7%	0.068	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-40.7	177.7	-63.9	0	0	0	0	111.8	P35 A36 V37 S43	P35-C39 PolarHBondContact O-N 3.41Å; P35-C39 PolarHBondContact O-SG 3.15Å; A36-C39 PolarHBondContact O-N 3.39Å; V37-C39 PolarHBondContact O-N 2.93Å; C39-S43 WeakPolarHBondContact O-CB 3.35Å; C39-S43 PolarHBondContact O-N 2.78Å
40	Y	97.4	Very high	94	Very high	8 Å²	8	56.1 Å²	56.1	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-52.9	177.6	-168.1	-89	0	0	0	111.7	S25 F26 M29 A36 V37 F38 L42 S43 A44 A75 T76 L79 E149 C153	S25-Y40 WeakPolarHBondContact OG-CB 3.47Å; F26-Y40 HydrophobicContact CE1-CD2 4.1Å; F26-Y40 HydrophobicContact CE1-CE2 4.11Å; M29-Y40 HydrophobicContact CE-CD2 4.09Å; A36-Y40 WeakPolarHBondContact O-CB 3.34Å; A36-Y40 PolarHBondContact O-N 2.94Å; V37-Y40 PolarHBondContact O-N 3.32Å; F38-Y40 VanDerWaalsContact C-N 3.34Å; F38-Y40 PolarHBondContact O-N 3.42Å; Y40-L42 VanDerWaalsContact C-N 3.31Å; Y40-L42 PolarHBondContact O-N 2.92Å; Y40-S43 WeakPolarHBondContact O-CB 3.42Å; Y40-S43 PolarHBondContact O-N 2.96Å; Y40-A44 PolarHBondContact O-N 3.38Å; Y40-A75 HydrophobicContact CE2-CB 4.24Å; Y40-T76 WeakPolarHBondContact OH-CA 3.42Å; Y40-L79 HydrophobicContact CE1-CD2 3.91Å; Y40-L79 HydrophobicContact CE2-CB 3.87Å; Y40-L79 HydrophobicContact CE2-CD2 4Å; Y40-L79 HydrophobicContact CE2-CG 4.48Å; Y40-E149 PolarHBondContact OH-OE2 3Å; Y40-C153 WeakPolarHBondContact CD1-SG 3.5Å; Y40-C153 WeakPolarHBondContact CE1-SG 3.35Å
41	L	95.7	Very high	93.9	Very high	73 Å²	73	52.2 Å²	52.2	38%	0.382	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-35.8	-178.8	-68.3	178.6	0	0	0	111.7	V37 F38 A44 L45 C153	V37-L41 HydrophobicContact CG1-CD1 3.7Å; V37-L41 HydrophobicContact CG1-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CB 3.33Å; V37-L41 WeakPolarHBondContact O-CG 3.32Å; V37-L41 PolarHBondContact O-N 2.97Å; F38-L41 PolarHBondContact O-N 3.46Å; L41-A44 PolarHBondContact O-N 3.37Å; L41-L45 VanDerWaalsContact O-CB 3.25Å; L41-L45 WeakPolarHBondContact O-CB 3.34Å; L41-L45 PolarHBondContact O-N 2.88Å; L41-C153 HydrophobicContact CD2-CB 4.46Å
42	L	96.7	Very high	93.9	Very high	58 Å²	58	54.1 Å²	54.1	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-43.1	173.8	-175.8	61	0	0	0	111.4	L21 F38 Y40 L45 L46	L21-L42 HydrophobicContact CD1-CB 4.41Å; L21-L42 HydrophobicContact CD1-CD2 3.96Å; L21-L42 HydrophobicContact CD1-CG 3.89Å; L21-L42 HydrophobicContact CD2-CD2 4.09Å; F38-L42 HydrophobicContact CE1-CD2 4.1Å; F38-L42 HydrophobicContact CZ-CD2 4.25Å; F38-L42 VanDerWaalsContact O-CB 3.22Å; F38-L42 WeakPolarHBondContact O-CB 3.35Å; F38-L42 PolarHBondContact O-N 3.13Å; Y40-L42 VanDerWaalsContact C-N 3.31Å; Y40-L42 PolarHBondContact O-N 2.92Å; L42-L45 PolarHBondContact O-N 3.41Å; L42-L46 HydrophobicContact CG-CD1 4.45Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 2.65Å
43	S	96.6	Very high	93.8	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-46.6	173.5	-177	0	0	0	0	111.8	R18 C39 Y40 L45 L46	R18-S43 WeakPolarHBondContact CG-O 3.31Å; R18-S43 PolarHBondContact NE-O 2.84Å; R18-S43 PolarHBondContact O-OG 3.36Å; C39-S43 WeakPolarHBondContact O-CB 3.35Å; C39-S43 PolarHBondContact O-N 2.78Å; Y40-S43 WeakPolarHBondContact O-CB 3.42Å; Y40-S43 PolarHBondContact O-N 2.96Å; S43-L45 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.32Å; S43-L46 PolarHBondContact O-N 3.23Å
44	A	93.8	Very high	93.8	Very high	39 Å²	39	52 Å²	52	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-33.2	178.2	0	0	0	0	0	112.6	Y40 L41 D47	Y40-A44 PolarHBondContact O-N 3.38Å; L41-A44 PolarHBondContact O-N 3.37Å; A44-D47 VanDerWaalsContact O-CB 3.24Å; A44-D47 WeakPolarHBondContact O-CB 3.34Å
45	L	92.6	Very high	93.7	Very high	101 Å²	101	52.5 Å²	52.5	53%	0.529	28%	0.278	S	S	.	.	H	α-helix	trans	-70	-39.2	176.6	-179.8	65.1	0	0	0	111.8	L41 L42 S43 D47 A48 F49	L41-L45 VanDerWaalsContact O-CB 3.25Å; L41-L45 WeakPolarHBondContact O-CB 3.34Å; L41-L45 PolarHBondContact O-N 2.88Å; L42-L45 PolarHBondContact O-N 3.41Å; S43-L45 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.32Å; L45-D47 PolarHBondContact O-N 3.01Å; L45-A48 PolarHBondContact O-N 2.84Å; L45-F49 HydrophobicContact CD1-CE2 4.25Å; L45-F49 HydrophobicContact CD2-CE2 4.43Å; L45-F49 HydrophobicContact CG-CD2 4.47Å; L45-F49 HydrophobicContact CG-CE2 3.95Å; L45-F49 WeakPolarHBondContact O-CD2 3.39Å
46	L	94.3	Very high	93.6	Very high	41 Å²	41	52.9 Å²	52.9	22%	0.215	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-20.5	-179.9	-75.4	176.1	0	0	0	113.8	I14 R18 L21 L42 S43 A48 F49 D50	I14-L46 HydrophobicContact CG2-CB 4.13Å; I14-L46 HydrophobicContact CG2-CD2 4.44Å; R18-L46 HydrophobicContact CG-CB 3.63Å; R18-L46 HydrophobicContact CG-CD1 4.46Å; L21-L46 HydrophobicContact CD1-CD1 3.6Å; L42-L46 HydrophobicContact CG-CD1 4.45Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 2.65Å; S43-L46 PolarHBondContact O-N 3.23Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.36Å; L46-F49 HydrophobicContact CD2-CD2 4.3Å; L46-F49 WeakPolarHBondContact O-CA 3.43Å; L46-F49 WeakPolarHBondContact O-CB 3.35Å; L46-F49 PolarHBondContact O-N 3.26Å; L46-D50 PolarHBondContact O-N 3.35Å
47	D	90.8	Very high	93.5	Very high	48 Å²	48	57.1 Å²	57.1	26%	0.257	31%	0.309	S	S	.	.	H	α-helix	trans	-51.6	-49.7	170.4	177.3	60.7	0	0	0	112.5	R18 A44 L45 F49 D50 G51	R18-D47 IonicContact CZ-OD1 2.66Å; R18-D47 VanDerWaalsContact CZ-OD1 3.24Å; R18-D47 IonicContact NH1-OD1 3.72Å; R18-D47 PolarHBondContact NH1-OD1 3.13Å; R18-D47 VanDerWaalsContact NH1-OD1 3.13Å; R18-D47 IonicContact NH2-OD1 3.35Å; R18-D47 PolarHBondContact NH2-OD1 3.25Å; A44-D47 VanDerWaalsContact O-CB 3.24Å; A44-D47 WeakPolarHBondContact O-CB 3.34Å; L45-D47 PolarHBondContact O-N 3.01Å; D47-F49 PolarHBondContact O-N 2.81Å; D47-F49 VanDerWaalsContact O-N 3.16Å; D47-D50 PolarHBondContact O-N 3.32Å; D47-G51 PolarHBondContact O-N 3.48Å
48	A	88.6	Confident	93.3	Very high	52 Å²	52	63.6 Å²	63.6	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-29.5	178.9	0	0	0	0	0	112.1	L45 L46 H52	L45-A48 PolarHBondContact O-N 2.84Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.36Å; A48-H52 VanDerWaalsContact O-CB 3.32Å; A48-H52 WeakPolarHBondContact O-CB 3.48Å; A48-H52 PolarHBondContact O-N 2.97Å; A48-H52 VanDerWaalsContact O-N 3.13Å
49	F	91.6	Very high	93.2	Very high	109 Å²	109	59.3 Å²	59.3	48%	0.478	33%	0.325	S	S	.	.	H	α-helix	trans	-78.6	-38.6	-178.3	-72.9	-81.6	0	0	0	112.9	L45 L46 D47 H52 A53	L45-F49 HydrophobicContact CD1-CE2 4.25Å; L45-F49 HydrophobicContact CD2-CE2 4.43Å; L45-F49 HydrophobicContact CG-CD2 4.47Å; L45-F49 HydrophobicContact CG-CE2 3.95Å; L45-F49 WeakPolarHBondContact O-CD2 3.39Å; L46-F49 HydrophobicContact CD2-CD2 4.3Å; L46-F49 WeakPolarHBondContact O-CA 3.43Å; L46-F49 WeakPolarHBondContact O-CB 3.35Å; L46-F49 PolarHBondContact O-N 3.26Å; D47-F49 PolarHBondContact O-N 2.81Å; D47-F49 VanDerWaalsContact O-N 3.16Å; F49-H52 PolarHBondContact O-N 2.91Å; F49-A53 WeakPolarHBondContact O-CB 3.24Å; F49-A53 PolarHBondContact O-N 3.39Å
50	D	90.4	Very high	92.9	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.064	35%	0.35	C	S	.	.	H	α-helix	trans	-67.2	-41.3	175.5	59.9	48.4	0	0	0	112	P11 I14 R18 L46 D47 H52 A53 A54	P11-D50 HydrophobicContact CB-CB 4.17Å; P11-D50 WeakPolarHBondContact CB-O 3.29Å; I14-D50 HydrophobicContact CB-CB 3.91Å; I14-D50 HydrophobicContact CD1-CB 4.44Å; I14-D50 HydrophobicContact CG2-CB 3.76Å; R18-D50 WeakPolarHBondContact CD-OD2 3.32Å; R18-D50 IonicContact CZ-OD2 3.96Å; R18-D50 IonicContact NE-OD2 2.71Å; R18-D50 IonicContact NH1-OD1 2.98Å; R18-D50 IonicContact NH1-OD2 3.34Å; R18-D50 PolarHBondContact NH1-OD2 3.38Å; L46-D50 PolarHBondContact O-N 3.35Å; D47-D50 PolarHBondContact O-N 3.32Å; D50-H52 VanDerWaalsContact C-N 3.29Å; D50-H52 PolarHBondContact O-N 3.02Å; D50-A53 PolarHBondContact O-N 2.95Å; D50-A54 WeakPolarHBondContact O-CB 3.21Å; D50-A54 PolarHBondContact O-N 3.19Å
51	G	87.8	Confident	92.7	Very high	23 Å²	23	63.4 Å²	63.4	24%	0.237	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-34.1	175.8	0	0	0	0	0	111.7	D47 R55	D47-G51 PolarHBondContact O-N 3.48Å; G51-R55 VanDerWaalsContact C-NH2 3.32Å; G51-R55 PolarHBondContact O-N 2.84Å; G51-R55 PolarHBondContact O-NE 2.9Å; G51-R55 PolarHBondContact O-NH2 2.71Å
52	H	91.5	Very high	92.4	Very high	119 Å²	119	69.3 Å²	69.3	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-66.2	-49.4	171.4	-175.2	80.8	0	0	0	111.6	A48 F49 D50 A54 R55 A56	A48-H52 VanDerWaalsContact O-CB 3.32Å; A48-H52 WeakPolarHBondContact O-CB 3.48Å; A48-H52 PolarHBondContact O-N 2.97Å; A48-H52 VanDerWaalsContact O-N 3.13Å; F49-H52 PolarHBondContact O-N 2.91Å; D50-H52 VanDerWaalsContact C-N 3.29Å; D50-H52 PolarHBondContact O-N 3.02Å; H52-A54 VanDerWaalsContact C-N 3.34Å; H52-A54 PolarHBondContact O-N 2.92Å; H52-R55 PolarHBondContact O-N 3.39Å; H52-A56 WeakPolarHBondContact O-CB 3.49Å; H52-A56 PolarHBondContact O-N 3.05Å
53	A	92.3	Very high	92.2	Very high	14 Å²	14	70.5 Å²	70.5	12%	0.116	38%	0.383	C	S	.	.	H	α-helix	trans	-60.5	-41.8	179	0	0	0	0	0	112.1	V10 I14 F49 D50 R55 A56 L57	V10-A53 HydrophobicContact CG1-CB 4.38Å; I14-A53 HydrophobicContact CD1-CB 4.09Å; F49-A53 WeakPolarHBondContact O-CB 3.24Å; F49-A53 PolarHBondContact O-N 3.39Å; D50-A53 PolarHBondContact O-N 2.95Å; A53-R55 VanDerWaalsContact C-N 3.27Å; A53-R55 PolarHBondContact O-N 2.99Å; A53-A56 PolarHBondContact O-N 3.46Å; A53-L57 HydrophobicContact CB-CD1 4.47Å; A53-L57 VanDerWaalsContact O-CB 3.29Å; A53-L57 WeakPolarHBondContact O-CB 3.19Å; A53-L57 WeakPolarHBondContact O-CG 3.34Å; A53-L57 PolarHBondContact O-N 3.38Å
54	A	92.9	Very high	92	Very high	13 Å²	13	70.8 Å²	70.8	11%	0.107	39%	0.387	C	S	.	.	H	α-helix	trans	-57.4	-39.5	176.6	0	0	0	0	0	112.5	P11 D50 H52 D58 Q59 A60	P11-A54 HydrophobicContact CB-CB 3.88Å; P11-A54 HydrophobicContact CG-CB 3.98Å; D50-A54 WeakPolarHBondContact O-CB 3.21Å; D50-A54 PolarHBondContact O-N 3.19Å; H52-A54 VanDerWaalsContact C-N 3.34Å; H52-A54 PolarHBondContact O-N 2.92Å; A54-D58 PolarHBondContact O-N 3.02Å; A54-Q59 PolarHBondContact O-N 2.9Å; A54-A60 HydrophobicContact CB-CB 4.36Å; A54-A60 PolarHBondContact O-N 3.46Å
55	R	92.3	Very high	91.8	Very high	164 Å²	164	71.9 Å²	71.9	62%	0.619	40%	0.396	S	S	*	.	H	α-helix	trans	-79.3	-39.3	178.4	-71.6	173.6	-72.6	-151	-0.7	112.6	G51 H52 A53	G51-R55 VanDerWaalsContact C-NH2 3.32Å; G51-R55 PolarHBondContact O-N 2.84Å; G51-R55 PolarHBondContact O-NE 2.9Å; G51-R55 PolarHBondContact O-NH2 2.71Å; H52-R55 PolarHBondContact O-N 3.39Å; A53-R55 VanDerWaalsContact C-N 3.27Å; A53-R55 PolarHBondContact O-N 2.99Å
56	A	94.7	Very high	91.8	Very high	70 Å²	70	70 Å²	70	58%	0.579	39%	0.386	S	S	*	.	H	α-helix	trans	-71.3	-32.2	-178.5	0	0	0	0	0	112.7	H52 A53	H52-A56 WeakPolarHBondContact O-CB 3.49Å; H52-A56 PolarHBondContact O-N 3.05Å; A53-A56 PolarHBondContact O-N 3.46Å
57	L	93	Very high	91.7	Very high	89 Å²	89	69.3 Å²	69.3	47%	0.466	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	2	-177.3	-58.9	173.9	0	0	0	113.6	V10 A53 Q59	V10-L57 HydrophobicContact CB-CD1 3.65Å; V10-L57 HydrophobicContact CG1-CD1 3.94Å; V10-L57 HydrophobicContact CG2-CD1 3.75Å; A53-L57 HydrophobicContact CB-CD1 4.47Å; A53-L57 VanDerWaalsContact O-CB 3.29Å; A53-L57 WeakPolarHBondContact O-CB 3.19Å; A53-L57 WeakPolarHBondContact O-CG 3.34Å; A53-L57 PolarHBondContact O-N 3.38Å; L57-Q59 HydrophobicContact CB-CB 4.36Å; L57-Q59 HydrophobicContact CB-CG 4.02Å; L57-Q59 PolarHBondContact O-N 3.31Å
58	D	92.9	Very high	91.8	Very high	152 Å²	152	69.1 Å²	69.1	81%	0.813	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.3	-173.2	-158.8	36.3	0	0	0	113.3	A54	A54-D58 PolarHBondContact O-N 3.02Å
59	Q	93.8	Very high	91.9	Very high	45 Å²	45	68.6 Å²	68.6	21%	0.21	37%	0.369	C	S	.	.			trans	-107.4	23.6	-177.1	-74.3	-175.3	-18	0	0	112.6	F9 P11 A54 L57 T61	F9-Q59 HydrophobicContact CB-CB 4.2Å; F9-Q59 HydrophobicContact CB-CG 4.41Å; F9-Q59 HydrophobicContact CD2-CB 3.71Å; F9-Q59 HydrophobicContact CD2-CG 3.95Å; F9-Q59 HydrophobicContact CE2-CB 4.28Å; F9-Q59 HydrophobicContact CE2-CG 4.28Å; F9-Q59 HydrophobicContact CG-CB 4.11Å; F9-Q59 HydrophobicContact CG-CG 4.07Å; P11-Q59 VanDerWaalsContact CD-OE1 3.28Å; P11-Q59 HydrophobicContact CG-CB 3.94Å; A54-Q59 PolarHBondContact O-N 2.9Å; L57-Q59 HydrophobicContact CB-CB 4.36Å; L57-Q59 HydrophobicContact CB-CG 4.02Å; L57-Q59 PolarHBondContact O-N 3.31Å; Q59-T61 PolarHBondContact O-N 3.24Å
60	A	91.6	Very high	92	Very high	72 Å²	72	66.9 Å²	66.9	60%	0.595	37%	0.365	S	S	*	.			trans	-71	124.4	178.8	0	0	0	0	0	111.2	A54	A54-A60 HydrophobicContact CB-CB 4.36Å; A54-A60 PolarHBondContact O-N 3.46Å
61	T	92.3	Very high	92.2	Very high	32 Å²	32	67 Å²	67	20%	0.196	37%	0.366	C	S	.	.			trans	-135.2	154.9	-178.5	66.4	0	0	0	0	112.3	I6 F9 Q59 F63 G64 A65	I6-T61 HydrophobicContact CG2-CG2 3.7Å; F9-T61 HydrophobicContact CD2-CG2 3.78Å; F9-T61 HydrophobicContact CE2-CG2 3.69Å; Q59-T61 PolarHBondContact O-N 3.24Å; T61-F63 VanDerWaalsContact C-N 3.26Å; T61-F63 PolarHBondContact O-N 3.28Å; T61-G64 PolarHBondContact O-N 3.39Å; T61-G64 PolarHBondContact OG1-N 2.93Å; T61-G64 VanDerWaalsContact OG1-N 3.11Å; T61-A65 PolarHBondContact O-N 3.44Å
62	K	90.6	Very high	92.4	Very high	196 Å²	196	67.8 Å²	67.8	85%	0.852	37%	0.365	S	S	*	.	H	α-helix	trans	-61.3	-36.7	175.3	-65.4	-177	-178.3	178.9	0	112	M66	K62-M66 WeakPolarHBondContact O-CB 3.41Å; K62-M66 PolarHBondContact O-N 3.2Å; K62-M66 VanDerWaalsContact O-N 3.07Å
63	F	92.3	Very high	92.6	Very high	83 Å²	83	63.6 Å²	63.6	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-51.8	175.2	172.9	-99.6	0	0	0	110.9	F7 Y16 T61 A65 M66 M67	F7-F63 HydrophobicContact CD1-CD1 4.26Å; F7-F63 AromaticContact CD1-CE1 3.81Å; F7-F63 HydrophobicContact CD1-CE1 3.81Å; F7-F63 HydrophobicContact CD1-CE2 4.39Å; F7-F63 AromaticContact CD1-CZ 3.88Å; F7-F63 HydrophobicContact CD1-CZ 3.88Å; F7-F63 HydrophobicContact CE1-CD1 4.38Å; F7-F63 HydrophobicContact CE1-CD2 4.2Å; F7-F63 HydrophobicContact CE1-CE1 4.12Å; F7-F63 AromaticContact CE1-CE2 3.91Å; F7-F63 HydrophobicContact CE1-CE2 3.91Å; F7-F63 HydrophobicContact CE1-CG 4.42Å; F7-F63 AromaticContact CE1-CZ 3.87Å; F7-F63 HydrophobicContact CE1-CZ 3.87Å; Y16-F63 HydrophobicContact CE1-CE1 4.47Å; T61-F63 VanDerWaalsContact C-N 3.26Å; T61-F63 PolarHBondContact O-N 3.28Å; F63-A65 PolarHBondContact O-N 3.09Å; F63-M66 PolarHBondContact O-N 3.36Å; F63-M67 HydrophobicContact CE1-SD 4.06Å; F63-M67 HydrophobicContact CZ-SD 4.17Å; F63-M67 WeakPolarHBondContact O-CB 3.36Å; F63-M67 PolarHBondContact O-N 2.85Å
64	G	92.1	Very high	92.7	Very high	12 Å²	12	66 Å²	66	12%	0.124	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-45.7	179.2	0	0	0	0	0	112.5	N12 T61 M66 M67 D68	N12-G64 WeakPolarHBondContact OD1-CA 3.39Å; T61-G64 PolarHBondContact O-N 3.39Å; T61-G64 PolarHBondContact OG1-N 2.93Å; T61-G64 VanDerWaalsContact OG1-N 3.11Å; G64-M66 VanDerWaalsContact C-N 3.34Å; G64-M66 PolarHBondContact O-N 2.86Å; G64-M67 PolarHBondContact O-N 3.19Å; G64-D68 VanDerWaalsContact O-CB 3.31Å; G64-D68 WeakPolarHBondContact O-CB 3.24Å; G64-D68 PolarHBondContact O-N 2.86Å
65	A	90.4	Very high	92.9	Very high	63 Å²	63	65.8 Å²	65.8	52%	0.521	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-36.6	177.3	0	0	0	0	0	113.3	T61 F63 M69	T61-A65 PolarHBondContact O-N 3.44Å; F63-A65 PolarHBondContact O-N 3.09Å; A65-M69 PolarHBondContact O-N 3.15Å
66	M	91.3	Very high	93.1	Very high	62 Å²	62	58.4 Å²	58.4	31%	0.305	33%	0.331	S	S	.	.	H	α-helix	trans	-71.5	-42.7	175.5	-175.6	65.3	-176.3	0	0	111.5	K62 F63 G64 D68 M69 L70 L109	K62-M66 WeakPolarHBondContact O-CB 3.41Å; K62-M66 PolarHBondContact O-N 3.2Å; K62-M66 VanDerWaalsContact O-N 3.07Å; F63-M66 PolarHBondContact O-N 3.36Å; G64-M66 VanDerWaalsContact C-N 3.34Å; G64-M66 PolarHBondContact O-N 2.86Å; M66-D68 VanDerWaalsContact C-N 3.34Å; M66-M69 HydrophobicContact CE-CE 4.09Å; M66-M69 PolarHBondContact O-N 2.79Å; M66-M69 HydrophobicContact SD-CE 3.68Å; M66-L70 HydrophobicContact CE-CD1 3.86Å; M66-L70 HydrophobicContact CE-CD2 3.98Å; M66-L70 HydrophobicContact CE-CG 3.87Å; M66-L70 HydrophobicContact CG-CD1 4.1Å; M66-L70 HydrophobicContact CG-CG 4.45Å; M66-L70 WeakPolarHBondContact O-CB 3.45Å; M66-L70 WeakPolarHBondContact O-CG 3.21Å; M66-L70 PolarHBondContact O-N 3.36Å; M66-L109 HydrophobicContact CE-CD2 3.88Å; M66-L109 HydrophobicContact SD-CD2 3.73Å
67	M	93	Very high	93.2	Very high	25 Å²	25	58.2 Å²	58.2	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-43.5	178.8	-177.7	-178.5	66.6	0	0	111.4	N12 Y16 F63 G64 L70 T71	N12-M67 HydrophobicContact CB-CE 4.17Å; Y16-M67 HydrophobicContact CD1-CE 4.38Å; Y16-M67 HydrophobicContact CD1-SD 3.64Å; Y16-M67 HydrophobicContact CE1-CE 4.23Å; Y16-M67 HydrophobicContact CE1-SD 3.38Å; Y16-M67 WeakPolarHBondContact CE1-SD 3.13Å; F63-M67 HydrophobicContact CE1-SD 4.06Å; F63-M67 HydrophobicContact CZ-SD 4.17Å; F63-M67 WeakPolarHBondContact O-CB 3.36Å; F63-M67 PolarHBondContact O-N 2.85Å; G64-M67 PolarHBondContact O-N 3.19Å; M67-L70 PolarHBondContact O-N 3.12Å; M67-T71 WeakPolarHBondContact O-CB 3.49Å; M67-T71 PolarHBondContact O-N 3.35Å; M67-T71 PolarHBondContact O-OG1 3.47Å
68	D	92	Very high	93.4	Very high	44 Å²	44	56 Å²	56	24%	0.235	31%	0.31	C	S	.	.	H	α-helix	trans	-54.3	-59.4	174	171.8	37	0	0	0	111.4	R18 G64 M66 L70 T71 D72	R18-D68 IonicContact CZ-OD1 2.65Å; R18-D68 IonicContact NH1-OD1 3.24Å; R18-D68 PolarHBondContact NH1-OD1 3.41Å; R18-D68 IonicContact NH2-OD1 3.75Å; R18-D68 PolarHBondContact NH2-OD1 3.23Å; G64-D68 VanDerWaalsContact O-CB 3.31Å; G64-D68 WeakPolarHBondContact O-CB 3.24Å; G64-D68 PolarHBondContact O-N 2.86Å; M66-D68 VanDerWaalsContact C-N 3.34Å; D68-L70 VanDerWaalsContact C-N 3.31Å; D68-L70 PolarHBondContact O-N 3.12Å; D68-T71 WeakPolarHBondContact O-CB 3.26Å; D68-T71 PolarHBondContact O-N 3.02Å; D68-D72 PolarHBondContact O-N 3.36Å; D68-D72 VanDerWaalsContact O-N 3.09Å
69	M	91.6	Very high	93.6	Very high	41 Å²	41	48.8 Å²	48.8	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-42.4	179.9	-173.3	-170.9	69.9	0	0	112.4	A65 M66 R73 L109	A65-M69 PolarHBondContact O-N 3.15Å; M66-M69 HydrophobicContact CE-CE 4.09Å; M66-M69 PolarHBondContact O-N 2.79Å; M66-M69 HydrophobicContact SD-CE 3.68Å; M69-R73 WeakPolarHBondContact O-CG 3.16Å; M69-R73 PolarHBondContact O-N 3.31Å; M69-L109 HydrophobicContact CE-CD1 4.18Å; M69-L109 HydrophobicContact CE-CD2 3.65Å; M69-L109 HydrophobicContact CE-CG 4.34Å; M69-L109 HydrophobicContact SD-CD1 4.39Å
70	L	92.9	Very high	93.7	Very high	73 Å²	73	46.8 Å²	46.8	38%	0.382	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.3	-75.8	175	0	0	0	112.1	M66 M67 D68 D72 R73 C74	M66-L70 HydrophobicContact CE-CD1 3.86Å; M66-L70 HydrophobicContact CE-CD2 3.98Å; M66-L70 HydrophobicContact CE-CG 3.87Å; M66-L70 HydrophobicContact CG-CD1 4.1Å; M66-L70 HydrophobicContact CG-CG 4.45Å; M66-L70 WeakPolarHBondContact O-CB 3.45Å; M66-L70 WeakPolarHBondContact O-CG 3.21Å; M66-L70 PolarHBondContact O-N 3.36Å; M67-L70 PolarHBondContact O-N 3.12Å; D68-L70 VanDerWaalsContact C-N 3.31Å; D68-L70 PolarHBondContact O-N 3.12Å; L70-D72 VanDerWaalsContact C-N 3.33Å; L70-D72 PolarHBondContact O-N 3.02Å; L70-R73 PolarHBondContact O-N 3.31Å; L70-C74 WeakPolarHBondContact O-CB 3.19Å; L70-C74 PolarHBondContact O-N 3.13Å; L70-C74 PolarHBondContact O-SG 3.29Å; L70-C74 VanDerWaalsContact O-SG 3.37Å
71	T	94.5	Very high	94	Very high	14 Å²	14	46.8 Å²	46.8	9%	0.086	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-45.3	-179.2	-58.9	0	0	0	0	110.5	R18 V19 M67 D68 A75	R18-T71 HydrophobicContact CB-CG2 4.18Å; V19-T71 HydrophobicContact CG2-CG2 3.85Å; V19-T71 WeakPolarHBondContact CG2-OG1 3.49Å; M67-T71 WeakPolarHBondContact O-CB 3.49Å; M67-T71 PolarHBondContact O-N 3.35Å; M67-T71 PolarHBondContact O-OG1 3.47Å; D68-T71 WeakPolarHBondContact O-CB 3.26Å; D68-T71 PolarHBondContact O-N 3.02Å; T71-A75 VanDerWaalsContact O-CB 3.22Å; T71-A75 WeakPolarHBondContact O-CB 3.4Å; T71-A75 PolarHBondContact O-N 3.03Å
72	D	93.4	Very high	94.2	Very high	40 Å²	40	46.2 Å²	46.2	21%	0.214	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-53.4	174.6	-81.4	-5.8	0	0	0	112.2	R18 D68 L70 C74 A75 T76	R18-D72 IonicContact CZ-OD1 3.55Å; R18-D72 IonicContact NH2-OD1 3.76Å; R18-D72 PolarHBondContact NH2-OD1 2.99Å; D68-D72 PolarHBondContact O-N 3.36Å; D68-D72 VanDerWaalsContact O-N 3.09Å; L70-D72 VanDerWaalsContact C-N 3.33Å; L70-D72 PolarHBondContact O-N 3.02Å; D72-C74 VanDerWaalsContact C-N 3.35Å; D72-C74 PolarHBondContact O-N 2.71Å; D72-A75 PolarHBondContact O-N 3.44Å; D72-A75 VanDerWaalsContact O-N 3.15Å; D72-T76 PolarHBondContact O-N 3.38Å; D72-T76 PolarHBondContact O-OG1 3.46Å; D72-T76 VanDerWaalsContact O-OG1 3.05Å
73	R	94.3	Very high	94.5	Very high	31 Å²	31	36.9 Å²	36.9	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-42.8	-176.1	-62.4	-46.6	111.2	-169.5	2.6	111.8	M69 L70 A75 M77 D101	M69-R73 WeakPolarHBondContact O-CG 3.16Å; M69-R73 PolarHBondContact O-N 3.31Å; L70-R73 PolarHBondContact O-N 3.31Å; R73-A75 VanDerWaalsContact C-N 3.33Å; R73-M77 WeakPolarHBondContact O-CB 3.34Å; R73-M77 PolarHBondContact O-N 2.88Å; R73-D101 WeakPolarHBondContact CD-OD2 3.21Å; R73-D101 IonicContact CZ-OD1 3.85Å; R73-D101 IonicContact CZ-OD2 3.62Å; R73-D101 IonicContact NE-OD2 3.13Å; R73-D101 IonicContact NH1-OD1 2.77Å; R73-D101 PolarHBondContact NH1-OD1 3.3Å; R73-D101 IonicContact NH1-OD2 2.74Å; R73-D101 PolarHBondContact NH1-OD2 2.85Å
74	C	95.9	Very high	94.7	Very high	64 Å²	64	33.8 Å²	33.8	43%	0.432	20%	0.2	S	C	.	.	H	α-helix	trans	-63.8	-40.8	176	-72.6	0	0	0	0	111.3	L70 D72 M77 C78	L70-C74 WeakPolarHBondContact O-CB 3.19Å; L70-C74 PolarHBondContact O-N 3.13Å; L70-C74 PolarHBondContact O-SG 3.29Å; L70-C74 VanDerWaalsContact O-SG 3.37Å; D72-C74 VanDerWaalsContact C-N 3.35Å; D72-C74 PolarHBondContact O-N 2.71Å; C74-M77 PolarHBondContact O-N 2.98Å; C74-C78 WeakPolarHBondContact O-CB 3.33Å; C74-C78 PolarHBondContact O-N 2.66Å; C74-C78 PolarHBondContact O-SG 3.01Å; C74-C78 VanDerWaalsContact O-SG 3.37Å
75	A	96.2	Very high	94.9	Very high	10 Å²	10	39.3 Å²	39.3	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-49	-178.5	0	0	0	0	0	112.5	A22 F26 Y40 T71 D72 R73 M77 C78 L79	A22-A75 HydrophobicContact CB-CB 4.37Å; F26-A75 HydrophobicContact CZ-CB 3.98Å; Y40-A75 HydrophobicContact CE2-CB 4.24Å; T71-A75 VanDerWaalsContact O-CB 3.22Å; T71-A75 WeakPolarHBondContact O-CB 3.4Å; T71-A75 PolarHBondContact O-N 3.03Å; D72-A75 PolarHBondContact O-N 3.44Å; D72-A75 VanDerWaalsContact O-N 3.15Å; R73-A75 VanDerWaalsContact C-N 3.33Å; A75-M77 VanDerWaalsContact C-N 3.34Å; A75-M77 PolarHBondContact O-N 2.91Å; A75-C78 PolarHBondContact O-N 3.36Å; A75-L79 PolarHBondContact O-N 3.39Å
76	T	96	Very high	95.1	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-46.5	175.1	-51.5	0	0	0	0	110.3	Y40 D72 C78 L79 L80 E149 F152	Y40-T76 WeakPolarHBondContact OH-CA 3.42Å; D72-T76 PolarHBondContact O-N 3.38Å; D72-T76 PolarHBondContact O-OG1 3.46Å; D72-T76 VanDerWaalsContact O-OG1 3.05Å; T76-C78 PolarHBondContact O-N 3.48Å; T76-L79 WeakPolarHBondContact O-CB 3.38Å; T76-L79 PolarHBondContact O-N 3.45Å; T76-L80 HydrophobicContact CG2-CD1 3.37Å; T76-L80 WeakPolarHBondContact O-CD1 3.22Å; T76-L80 PolarHBondContact O-N 3.28Å; T76-E149 WeakPolarHBondContact CG2-OE1 3Å; T76-E149 VanDerWaalsContact OG1-CD 3.26Å; T76-E149 PolarHBondContact OG1-OE1 3.26Å; T76-E149 PolarHBondContact OG1-OE2 3.16Å; T76-F152 HydrophobicContact CG2-CD2 4.39Å
77	M	96.7	Very high	95.4	Very high	66 Å²	66	37.8 Å²	37.8	33%	0.325	21%	0.206	S	C	.	.	H	α-helix	trans	-56.5	-47.5	177.1	-177.2	-171.6	69.9	0	0	112.4	R73 C74 A75 L79 L80 V81 M98 I102	R73-M77 WeakPolarHBondContact O-CB 3.34Å; R73-M77 PolarHBondContact O-N 2.88Å; C74-M77 PolarHBondContact O-N 2.98Å; A75-M77 VanDerWaalsContact C-N 3.34Å; A75-M77 PolarHBondContact O-N 2.91Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-L79 PolarHBondContact O-N 3.41Å; M77-L80 PolarHBondContact O-N 2.54Å; M77-V81 WeakPolarHBondContact O-CG2 3.03Å; M77-V81 PolarHBondContact O-N 2.78Å; M77-M98 HydrophobicContact CB-SD 4.35Å; M77-M98 HydrophobicContact CG-CG 4.37Å; M77-M98 HydrophobicContact CG-SD 3.67Å; M77-M98 VanDerWaalsContact O-SD 3.4Å; M77-I102 HydrophobicContact SD-CD1 3.91Å
78	C	96.8	Very high	95.5	Very high	42 Å²	42	41 Å²	41	28%	0.284	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-37.9	178.9	-73.6	0	0	0	0	112.5	F26 C74 A75 T76 V81 N82	F26-C78 HydrophobicContact CD1-CB 3.62Å; F26-C78 HydrophobicContact CD2-CB 3.72Å; F26-C78 HydrophobicContact CE1-CB 3.54Å; F26-C78 HydrophobicContact CE2-CB 3.62Å; F26-C78 HydrophobicContact CG-CB 3.77Å; F26-C78 HydrophobicContact CZ-CB 3.59Å; C74-C78 WeakPolarHBondContact O-CB 3.33Å; C74-C78 PolarHBondContact O-N 2.66Å; C74-C78 PolarHBondContact O-SG 3.01Å; C74-C78 VanDerWaalsContact O-SG 3.37Å; A75-C78 PolarHBondContact O-N 3.36Å; T76-C78 PolarHBondContact O-N 3.48Å; C78-V81 PolarHBondContact O-N 2.86Å; C78-N82 PolarHBondContact O-N 3.12Å; C78-N82 VanDerWaalsContact O-N 3.12Å
79	L	97.1	Very high	95.8	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-45.6	172.4	175	60.7	0	0	0	111.6	M29 Y40 A75 T76 M77 V81 N82 L83 F152 Y156	M29-L79 HydrophobicContact CE-CB 4.24Å; M29-L79 HydrophobicContact CE-CD1 3.67Å; M29-L79 HydrophobicContact SD-CD1 4.41Å; Y40-L79 HydrophobicContact CE1-CD2 3.91Å; Y40-L79 HydrophobicContact CE2-CB 3.87Å; Y40-L79 HydrophobicContact CE2-CD2 4Å; Y40-L79 HydrophobicContact CE2-CG 4.48Å; A75-L79 PolarHBondContact O-N 3.39Å; T76-L79 WeakPolarHBondContact O-CB 3.38Å; T76-L79 PolarHBondContact O-N 3.45Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-L79 PolarHBondContact O-N 3.41Å; L79-V81 VanDerWaalsContact C-N 3.34Å; L79-V81 PolarHBondContact O-N 3.3Å; L79-N82 WeakPolarHBondContact O-CB 3.16Å; L79-N82 PolarHBondContact O-N 3.15Å; L79-N82 VanDerWaalsContact O-N 3.16Å; L79-L83 HydrophobicContact CD1-CG 4.48Å; L79-L83 HydrophobicContact CG-CD1 4.34Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.45Å; L79-F152 HydrophobicContact CD2-CB 3.56Å; L79-F152 HydrophobicContact CG-CB 4.15Å; L79-Y156 HydrophobicContact CD1-CG 4.43Å
80	L	97.4	Very high	96	Very high	2 Å²	2	49 Å²	49	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-35.6	177.7	-85.7	99.9	0	0	0	112.8	T76 M77 N82 L83 A84 F94 M98 F152	T76-L80 HydrophobicContact CG2-CD1 3.37Å; T76-L80 WeakPolarHBondContact O-CD1 3.22Å; T76-L80 PolarHBondContact O-N 3.28Å; M77-L80 PolarHBondContact O-N 2.54Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-L83 PolarHBondContact O-N 3.37Å; L80-A84 WeakPolarHBondContact O-CB 3.25Å; L80-A84 PolarHBondContact O-N 3.02Å; L80-F94 HydrophobicContact CB-CB 4.37Å; L80-F94 HydrophobicContact CD2-CB 3.98Å; L80-F94 HydrophobicContact CD2-CD1 3.93Å; L80-F94 HydrophobicContact CD2-CG 4.42Å; L80-F94 WeakPolarHBondContact CD2-O 3.36Å; L80-F94 HydrophobicContact CG-CD1 4.3Å; L80-M98 HydrophobicContact CB-CG 3.51Å; L80-M98 HydrophobicContact CB-SD 3.49Å; L80-M98 WeakPolarHBondContact CB-SD 3.5Å; L80-M98 HydrophobicContact CD1-CG 4.31Å; L80-M98 HydrophobicContact CD2-CG 3.62Å; L80-M98 HydrophobicContact CG-CG 4Å; L80-F152 HydrophobicContact CD1-CD1 4.36Å; L80-F152 HydrophobicContact CD1-CD2 3.86Å; L80-F152 HydrophobicContact CD1-CE1 4.34Å; L80-F152 HydrophobicContact CD1-CE2 3.82Å; L80-F152 HydrophobicContact CD1-CG 4.14Å; L80-F152 HydrophobicContact CD1-CZ 4.08Å; L80-F152 HydrophobicContact CD2-CD1 4.47Å; L80-F152 HydrophobicContact CD2-CE1 3.86Å; L80-F152 HydrophobicContact CD2-CE2 4.34Å; L80-F152 HydrophobicContact CD2-CZ 3.79Å; L80-F152 HydrophobicContact CG-CD1 4.17Å; L80-F152 HydrophobicContact CG-CE1 4.06Å; L80-F152 HydrophobicContact CG-CE2 4.41Å; L80-F152 HydrophobicContact CG-CG 4.42Å; L80-F152 HydrophobicContact CG-CZ 4.19Å
81	V	97.2	Very high	96.2	Very high	72 Å²	72	46.6 Å²	46.6	44%	0.436	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-46.1	171.5	169	0	0	0	0	110.2	M77 C78 L79 L83 A84 L85 M98	M77-V81 WeakPolarHBondContact O-CG2 3.03Å; M77-V81 PolarHBondContact O-N 2.78Å; C78-V81 PolarHBondContact O-N 2.86Å; L79-V81 VanDerWaalsContact C-N 3.34Å; L79-V81 PolarHBondContact O-N 3.3Å; V81-L83 PolarHBondContact O-N 2.99Å; V81-A84 PolarHBondContact O-N 3.37Å; V81-L85 WeakPolarHBondContact O-CG 3.32Å; V81-L85 PolarHBondContact O-N 2.9Å; V81-L85 VanDerWaalsContact O-N 3.17Å; V81-M98 HydrophobicContact CG2-CE 4.3Å; V81-M98 HydrophobicContact CG2-SD 3.97Å
82	N	96.1	Very high	96.4	Very high	21 Å²	21	52.6 Å²	52.6	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-44.2	177.8	-157.3	-83.2	0	0	0	111.5	M29 C78 L79 L80 A84 L85 L86 Y156	M29-N82 WeakPolarHBondContact CB-ND2 3.46Å; M29-N82 HydrophobicContact SD-CB 3.73Å; C78-N82 PolarHBondContact O-N 3.12Å; C78-N82 VanDerWaalsContact O-N 3.12Å; L79-N82 WeakPolarHBondContact O-CB 3.16Å; L79-N82 PolarHBondContact O-N 3.15Å; L79-N82 VanDerWaalsContact O-N 3.16Å; L80-N82 VanDerWaalsContact C-N 3.33Å; N82-A84 VanDerWaalsContact C-N 3.3Å; N82-A84 PolarHBondContact O-N 2.97Å; N82-L85 WeakPolarHBondContact O-CB 3.34Å; N82-L85 PolarHBondContact O-N 2.9Å; N82-L86 WeakPolarHBondContact O-CG 3.07Å; N82-L86 PolarHBondContact O-N 3.02Å; N82-Y156 WeakPolarHBondContact OD1-CE2 3.46Å
83	L	96.9	Very high	96.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-38.3	174.1	-73.5	173.4	0	0	0	113	L79 L80 V81 L85 L86 Y87 F94 F152 L155	L79-L83 HydrophobicContact CD1-CG 4.48Å; L79-L83 HydrophobicContact CG-CD1 4.34Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.45Å; L80-L83 PolarHBondContact O-N 3.37Å; V81-L83 PolarHBondContact O-N 2.99Å; L83-L85 VanDerWaalsContact C-N 3.26Å; L83-L85 PolarHBondContact O-N 2.98Å; L83-L86 PolarHBondContact O-N 3.46Å; L83-Y87 HydrophobicContact CD2-CD2 4.12Å; L83-Y87 HydrophobicContact CD2-CE2 4.04Å; L83-Y87 WeakPolarHBondContact O-CB 3.22Å; L83-Y87 PolarHBondContact O-N 3.4Å; L83-F94 HydrophobicContact CB-CD1 4.37Å; L83-F94 HydrophobicContact CB-CD2 4.21Å; L83-F94 HydrophobicContact CB-CE1 4.06Å; L83-F94 HydrophobicContact CB-CE2 3.88Å; L83-F94 HydrophobicContact CB-CG 4.45Å; L83-F94 HydrophobicContact CB-CZ 3.81Å; L83-F94 HydrophobicContact CD1-CE1 4.02Å; L83-F94 HydrophobicContact CD1-CZ 4.37Å; L83-F152 HydrophobicContact CD1-CB 3.81Å; L83-F152 HydrophobicContact CD1-CD1 3.69Å; L83-F152 HydrophobicContact CD1-CG 4.16Å; L83-L155 HydrophobicContact CD1-CB 4.37Å; L83-L155 HydrophobicContact CD1-CD1 4.48Å; L83-L155 HydrophobicContact CD2-CB 3.83Å
84	A	97.4	Very high	96.7	Very high	17 Å²	17	54.7 Å²	54.7	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-30	175.7	0	0	0	0	0	112.7	L80 V81 N82 Y87 P88 A91 F94	L80-A84 WeakPolarHBondContact O-CB 3.25Å; L80-A84 PolarHBondContact O-N 3.02Å; V81-A84 PolarHBondContact O-N 3.37Å; N82-A84 VanDerWaalsContact C-N 3.3Å; N82-A84 PolarHBondContact O-N 2.97Å; A84-Y87 CarbonylContact O-C 3.59Å; A84-P88 WeakPolarHBondContact O-CA 3.27Å; A84-A91 HydrophobicContact CB-CB 4.01Å; A84-F94 HydrophobicContact CB-CB 4.31Å; A84-F94 HydrophobicContact CB-CD2 4Å
85	L	95.8	Very high	96.8	Very high	128 Å²	128	56.5 Å²	56.5	67%	0.67	30%	0.303	S	S	*	.	H	α-helix	trans	-73.7	-40.1	172.4	-62.1	173.1	0	0	0	111.9	V81 N82 L83	V81-L85 WeakPolarHBondContact O-CG 3.32Å; V81-L85 PolarHBondContact O-N 2.9Å; V81-L85 VanDerWaalsContact O-N 3.17Å; N82-L85 WeakPolarHBondContact O-CB 3.34Å; N82-L85 PolarHBondContact O-N 2.9Å; L83-L85 VanDerWaalsContact C-N 3.26Å; L83-L85 PolarHBondContact O-N 2.98Å
86	L	95.2	Very high	96.8	Very high	43 Å²	43	60.5 Å²	60.5	23%	0.225	32%	0.322	C	S	.	.	H	α-helix	trans	-73.9	-30	179.2	-63.6	-179.4	0	0	0	113.1	N82 L83 Y156 H159	N82-L86 WeakPolarHBondContact O-CG 3.07Å; N82-L86 PolarHBondContact O-N 3.02Å; L83-L86 PolarHBondContact O-N 3.46Å; L86-Y156 HydrophobicContact CD1-CD2 3.67Å; L86-Y156 HydrophobicContact CD1-CE2 3.84Å; L86-H159 HydrophobicContact CD1-CB 4.22Å; L86-H159 PolarHBondContact O-CE1 3.43Å
87	Y	96.1	Very high	96.8	Very high	50 Å²	50	61.6 Å²	61.6	20%	0.196	33%	0.33	C	S	.	.			trans	-128.4	68.5	-177.6	-63.8	-76.4	0	0	0	111.7	L83 A84 S89 Y90 A91 L155 H159	L83-Y87 HydrophobicContact CD2-CD2 4.12Å; L83-Y87 HydrophobicContact CD2-CE2 4.04Å; L83-Y87 WeakPolarHBondContact O-CB 3.22Å; L83-Y87 PolarHBondContact O-N 3.4Å; A84-Y87 CarbonylContact O-C 3.59Å; Y87-S89 VanDerWaalsContact C-N 3.25Å; Y87-S89 PolarHBondContact O-N 2.94Å; Y87-S89 VanDerWaalsContact O-N 3.12Å; Y87-Y90 PolarHBondContact O-N 2.9Å; Y87-A91 PolarHBondContact O-N 3.05Å; Y87-L155 PolarHBondContact OH-O 2.99Å; Y87-H159 AromaticContact CE1-ND1 3.91Å; Y87-H159 HydrophobicContact CE2-CB 4.03Å; Y87-H159 AromaticContact CZ-ND1 3.66Å; Y87-H159 WeakPolarHBondContact OH-CA 3.27Å; Y87-H159 VanDerWaalsContact OH-CB 3.31Å; Y87-H159 WeakPolarHBondContact OH-CB 3.31Å; Y87-H159 PolarHBondContact OH-N 2.88Å
88	P	96.7	Very high	96.8	Very high	92 Å²	92	59.8 Å²	59.8	60%	0.597	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-57.1	-34.2	-172.5	-26.9	35.8	0	0	0	114.4	A84 Y90 A91	A84-P88 WeakPolarHBondContact O-CA 3.27Å; P88-Y90 PolarHBondContact O-N 3.18Å; P88-Y90 VanDerWaalsContact O-N 3.16Å; P88-A91 VanDerWaalsContact O-CB 3.23Å; P88-A91 WeakPolarHBondContact O-CB 2.96Å; P88-A91 PolarHBondContact O-N 2.96Å; P88-A91 VanDerWaalsContact O-N 3.12Å
89	S	97.5	Very high	96.8	Very high	117 Å²	117	61.3 Å²	61.3	82%	0.818	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-61.7	-22.6	178.1	-51.7	0	0	0	0	113.8	Y87	Y87-S89 VanDerWaalsContact C-N 3.25Å; Y87-S89 PolarHBondContact O-N 2.94Å; Y87-S89 VanDerWaalsContact O-N 3.12Å
90	Y	96.6	Very high	96.7	Very high	137 Å²	137	62.7 Å²	62.7	54%	0.537	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-108	5.7	179.8	-58.2	-79.3	0	0	0	112.7	Y87 P88 F92 L93 F94	Y87-Y90 PolarHBondContact O-N 2.9Å; P88-Y90 PolarHBondContact O-N 3.18Å; P88-Y90 VanDerWaalsContact O-N 3.16Å; Y90-F92 PolarHBondContact O-N 3.25Å; Y90-F92 VanDerWaalsContact O-N 3.14Å; Y90-L93 HydrophobicContact CD1-CD1 4.07Å; Y90-L93 WeakPolarHBondContact O-CB 3.31Å; Y90-L93 PolarHBondContact O-N 3.1Å; Y90-F94 WeakPolarHBondContact O-CD2 3.35Å; Y90-F94 PolarHBondContact O-N 3.45Å
91	A	97.1	Very high	96.5	Very high	22 Å²	22	63.3 Å²	63.3	18%	0.182	34%	0.343	C	S	.	.	H	α-helix	trans	-52.8	-39.5	-176.7	0	0	0	0	0	113.1	A84 Y87 P88 L93 F94 Q95	A84-A91 HydrophobicContact CB-CB 4.01Å; Y87-A91 PolarHBondContact O-N 3.05Å; P88-A91 VanDerWaalsContact O-CB 3.23Å; P88-A91 WeakPolarHBondContact O-CB 2.96Å; P88-A91 PolarHBondContact O-N 2.96Å; P88-A91 VanDerWaalsContact O-N 3.12Å; A91-L93 VanDerWaalsContact C-N 3.33Å; A91-L93 PolarHBondContact O-N 3.35Å; A91-F94 PolarHBondContact O-N 2.79Å; A91-Q95 VanDerWaalsContact O-CG 3.31Å; A91-Q95 WeakPolarHBondContact O-CG 3.39Å; A91-Q95 PolarHBondContact O-N 3.34Å
92	F	97.8	Very high	96.4	Very high	141 Å²	141	63.1 Å²	63.1	62%	0.618	34%	0.339	S	S	*	.	H	α-helix	trans	-60	-40.2	176.3	177.5	-105.5	0	0	0	112.8	Y90 Q95 L96	Y90-F92 PolarHBondContact O-N 3.25Å; Y90-F92 VanDerWaalsContact O-N 3.14Å; F92-Q95 PolarHBondContact O-N 3.33Å; F92-L96 WeakPolarHBondContact O-CB 3.41Å; F92-L96 PolarHBondContact O-N 3.02Å
93	L	96.7	Very high	96.3	Very high	99 Å²	99	64.1 Å²	64.1	52%	0.518	35%	0.35	S	S	.	.	H	α-helix	trans	-67.8	-39.7	178.4	-63	-179	0	0	0	111.3	Y90 A91 L96 S97	Y90-L93 HydrophobicContact CD1-CD1 4.07Å; Y90-L93 WeakPolarHBondContact O-CB 3.31Å; Y90-L93 PolarHBondContact O-N 3.1Å; A91-L93 VanDerWaalsContact C-N 3.33Å; A91-L93 PolarHBondContact O-N 3.35Å; L93-L96 PolarHBondContact O-N 3.19Å; L93-S97 WeakPolarHBondContact O-CB 3.36Å; L93-S97 PolarHBondContact O-N 2.94Å
94	F	97.6	Very high	96.1	Very high	15 Å²	15	64.1 Å²	64.1	7%	0.066	35%	0.35	C	S	.	.	H	α-helix	trans	-64.4	-44.5	174.4	-62.5	-53.3	0	0	0	111.5	L80 L83 A84 Y90 A91 L96 S97 M98 F152 L155	L80-F94 HydrophobicContact CB-CB 4.37Å; L80-F94 HydrophobicContact CD2-CB 3.98Å; L80-F94 HydrophobicContact CD2-CD1 3.93Å; L80-F94 HydrophobicContact CD2-CG 4.42Å; L80-F94 WeakPolarHBondContact CD2-O 3.36Å; L80-F94 HydrophobicContact CG-CD1 4.3Å; L83-F94 HydrophobicContact CB-CD1 4.37Å; L83-F94 HydrophobicContact CB-CD2 4.21Å; L83-F94 HydrophobicContact CB-CE1 4.06Å; L83-F94 HydrophobicContact CB-CE2 3.88Å; L83-F94 HydrophobicContact CB-CG 4.45Å; L83-F94 HydrophobicContact CB-CZ 3.81Å; L83-F94 HydrophobicContact CD1-CE1 4.02Å; L83-F94 HydrophobicContact CD1-CZ 4.37Å; A84-F94 HydrophobicContact CB-CB 4.31Å; A84-F94 HydrophobicContact CB-CD2 4Å; Y90-F94 WeakPolarHBondContact O-CD2 3.35Å; Y90-F94 PolarHBondContact O-N 3.45Å; A91-F94 PolarHBondContact O-N 2.79Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 3.34Å; F94-S97 PolarHBondContact O-N 3Å; F94-M98 VanDerWaalsContact O-CG 3.28Å; F94-M98 WeakPolarHBondContact O-CG 3.33Å; F94-M98 PolarHBondContact O-N 2.96Å; F94-F152 HydrophobicContact CD1-CE1 4.09Å; F94-F152 HydrophobicContact CE1-CD1 4.25Å; F94-F152 HydrophobicContact CE1-CE1 4.09Å; F94-L155 HydrophobicContact CE1-CD1 4.09Å; F94-L155 HydrophobicContact CZ-CD1 4.24Å
95	Q	97.6	Very high	95.8	Very high	103 Å²	103	64.7 Å²	64.7	48%	0.481	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-44.3	174.7	-72.9	171.2	-8.2	0	0	112.6	A91 F92 M98 S99	A91-Q95 VanDerWaalsContact O-CG 3.31Å; A91-Q95 WeakPolarHBondContact O-CG 3.39Å; A91-Q95 PolarHBondContact O-N 3.34Å; F92-Q95 PolarHBondContact O-N 3.33Å; Q95-M98 HydrophobicContact CB-CE 4.42Å; Q95-M98 HydrophobicContact CG-CE 4.11Å; Q95-M98 PolarHBondContact O-N 2.95Å; Q95-S99 VanDerWaalsContact O-CB 3.31Å; Q95-S99 WeakPolarHBondContact O-CB 3.13Å; Q95-S99 PolarHBondContact O-N 3.42Å; Q95-S99 PolarHBondContact O-OG 3.42Å
96	L	96.9	Very high	95.6	Very high	94 Å²	94	65.9 Å²	65.9	49%	0.492	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-45.4	176.6	-177.8	63.9	0	0	0	111.1	F92 L93 F94 S99 L100	F92-L96 WeakPolarHBondContact O-CB 3.41Å; F92-L96 PolarHBondContact O-N 3.02Å; L93-L96 PolarHBondContact O-N 3.19Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 3.34Å; L96-S99 PolarHBondContact O-N 3.5Å; L96-L100 VanDerWaalsContact O-CB 3.27Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 PolarHBondContact O-N 3.43Å
97	S	96.3	Very high	95.3	Very high	30 Å²	30	65.8 Å²	65.8	21%	0.21	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-45.7	178.5	-170.9	0	0	0	0	112.1	L93 F94 D101	L93-S97 WeakPolarHBondContact O-CB 3.36Å; L93-S97 PolarHBondContact O-N 2.94Å; F94-S97 PolarHBondContact O-N 3Å; S97-D101 WeakPolarHBondContact O-CB 3.4Å; S97-D101 PolarHBondContact O-N 2.91Å
98	M	95.4	Very high	94.8	Very high	29 Å²	29	66.2 Å²	66.2	14%	0.143	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-46	176.8	-65.7	-176.3	-62.4	0	0	111.3	M77 L80 V81 F94 Q95 L100 D101 I102	M77-M98 HydrophobicContact CB-SD 4.35Å; M77-M98 HydrophobicContact CG-CG 4.37Å; M77-M98 HydrophobicContact CG-SD 3.67Å; M77-M98 VanDerWaalsContact O-SD 3.4Å; L80-M98 HydrophobicContact CB-CG 3.51Å; L80-M98 HydrophobicContact CB-SD 3.49Å; L80-M98 WeakPolarHBondContact CB-SD 3.5Å; L80-M98 HydrophobicContact CD1-CG 4.31Å; L80-M98 HydrophobicContact CD2-CG 3.62Å; L80-M98 HydrophobicContact CG-CG 4Å; V81-M98 HydrophobicContact CG2-CE 4.3Å; V81-M98 HydrophobicContact CG2-SD 3.97Å; F94-M98 VanDerWaalsContact O-CG 3.28Å; F94-M98 WeakPolarHBondContact O-CG 3.33Å; F94-M98 PolarHBondContact O-N 2.96Å; Q95-M98 HydrophobicContact CB-CE 4.42Å; Q95-M98 HydrophobicContact CG-CE 4.11Å; Q95-M98 PolarHBondContact O-N 2.95Å; M98-L100 PolarHBondContact O-N 3.45Å; M98-D101 PolarHBondContact O-N 2.91Å; M98-I102 WeakPolarHBondContact O-CG1 3.14Å; M98-I102 PolarHBondContact O-N 3.05Å
99	S	96.6	Very high	94.3	Very high	74 Å²	74	64.6 Å²	64.6	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-43.6	-178.5	-58.3	0	0	0	0	111.4	Q95 L96 A103	Q95-S99 VanDerWaalsContact O-CB 3.31Å; Q95-S99 WeakPolarHBondContact O-CB 3.13Å; Q95-S99 PolarHBondContact O-N 3.42Å; Q95-S99 PolarHBondContact O-OG 3.42Å; L96-S99 PolarHBondContact O-N 3.5Å; S99-A103 WeakPolarHBondContact O-CB 3.49Å; S99-A103 PolarHBondContact O-N 3.25Å
100	L	96	Very high	93.9	Very high	30 Å²	30	63.3 Å²	63.3	16%	0.157	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-46.1	177.4	176.2	61.9	0	0	0	111.7	L96 M98 S104 A186 V190 L193	L96-L100 VanDerWaalsContact O-CB 3.27Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 PolarHBondContact O-N 3.43Å; M98-L100 PolarHBondContact O-N 3.45Å; L100-S104 WeakPolarHBondContact O-CB 3.47Å; L100-S104 PolarHBondContact O-N 2.94Å; L100-S104 PolarHBondContact O-OG 3.19Å; L100-A186 HydrophobicContact CD2-CB 4.31Å; L100-A186 WeakPolarHBondContact CD2-O 2.97Å; L100-V190 HydrophobicContact CD1-CB 4.49Å; L100-V190 HydrophobicContact CD1-CG2 3.8Å; L100-V190 HydrophobicContact CD2-CG2 3.65Å; L100-V190 HydrophobicContact CG-CG2 4.38Å; L100-L193 HydrophobicContact CD1-CD2 4.26Å
101	D	94.1	Very high	93.3	Very high	16 Å²	16	57 Å²	57	9%	0.086	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-48.4	-179.2	-173.5	58.6	0	0	0	111.3	R73 S97 M98 S104 H105	R73-D101 WeakPolarHBondContact CD-OD2 3.21Å; R73-D101 IonicContact CZ-OD1 3.85Å; R73-D101 IonicContact CZ-OD2 3.62Å; R73-D101 IonicContact NE-OD2 3.13Å; R73-D101 IonicContact NH1-OD1 2.77Å; R73-D101 PolarHBondContact NH1-OD1 3.3Å; R73-D101 IonicContact NH1-OD2 2.74Å; R73-D101 PolarHBondContact NH1-OD2 2.85Å; S97-D101 WeakPolarHBondContact O-CB 3.4Å; S97-D101 PolarHBondContact O-N 2.91Å; M98-D101 PolarHBondContact O-N 2.91Å; D101-S104 PolarHBondContact O-OG 3.2Å; D101-S104 VanDerWaalsContact O-OG 3.04Å; D101-H105 PolarHBondContact O-N 2.97Å; D101-H105 PolarHBondContact O-ND1 3.43Å; D101-H105 IonicContact OD1-CE1 3.1Å; D101-H105 PolarHBondContact OD1-CE1 3.02Å; D101-H105 IonicContact OD1-ND1 2.88Å; D101-H105 PolarHBondContact OD1-ND1 3.46Å
102	I	93.9	Very high	92.5	Very high	67 Å²	67	58.7 Å²	58.7	34%	0.344	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-50.1	177.9	-66.1	171.8	0	0	0	111.1	M77 M98 S104 W106	M77-I102 HydrophobicContact SD-CD1 3.91Å; M98-I102 WeakPolarHBondContact O-CG1 3.14Å; M98-I102 PolarHBondContact O-N 3.05Å; I102-S104 PolarHBondContact O-N 2.8Å; I102-W106 WeakPolarHBondContact O-CB 3.43Å; I102-W106 PolarHBondContact O-N 3Å
103	A	94.6	Very high	91.7	Very high	43 Å²	43	56.1 Å²	56.1	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-44.1	-175.7	0	0	0	0	0	112.3	S99 L107 L193	S99-A103 WeakPolarHBondContact O-CB 3.49Å; S99-A103 PolarHBondContact O-N 3.25Å; A103-L107 WeakPolarHBondContact O-CB 3.4Å; A103-L107 PolarHBondContact O-N 3.42Å; A103-L193 HydrophobicContact CB-CD1 4.31Å
104	S	92.2	Very high	91	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-46.8	-179.5	59.6	0	0	0	0	112.2	L100 D101 I102 H108 S189	L100-S104 WeakPolarHBondContact O-CB 3.47Å; L100-S104 PolarHBondContact O-N 2.94Å; L100-S104 PolarHBondContact O-OG 3.19Å; D101-S104 PolarHBondContact O-OG 3.2Å; D101-S104 VanDerWaalsContact O-OG 3.04Å; I102-S104 PolarHBondContact O-N 2.8Å; S104-H108 VanDerWaalsContact O-CB 3.3Å; S104-H108 WeakPolarHBondContact O-CB 3.41Å; S104-H108 PolarHBondContact O-N 3.44Å; S104-H108 VanDerWaalsContact O-N 3.1Å; S104-S189 VanDerWaalsContact CB-O 3.27Å; S104-S189 WeakPolarHBondContact CB-O 3.48Å
105	H	90.7	Very high	89.7	Confident	28 Å²	28	56.6 Å²	56.6	13%	0.13	30%	0.299	C	S	.	.	H	α-helix	trans	-71	-40.6	179.5	-70.6	79.9	0	0	0	111.9	D101 H108 L109	D101-H105 PolarHBondContact O-N 2.97Å; D101-H105 PolarHBondContact O-ND1 3.43Å; D101-H105 IonicContact OD1-CE1 3.1Å; D101-H105 PolarHBondContact OD1-CE1 3.02Å; D101-H105 IonicContact OD1-ND1 2.88Å; D101-H105 PolarHBondContact OD1-ND1 3.46Å; H105-H108 PolarHBondContact O-N 3.46Å; H105-L109 WeakPolarHBondContact O-CB 3.27Å; H105-L109 PolarHBondContact O-N 2.65Å
106	W	91	Very high	88	Confident	153 Å²	153	55 Å²	55	58%	0.58	31%	0.31	S	S	*	.	H	α-helix	trans	-63.3	-49	179.5	-168.6	-86.9	0	0	0	111.8	I102 H108 L109 H110	I102-W106 WeakPolarHBondContact O-CB 3.43Å; I102-W106 PolarHBondContact O-N 3Å; W106-H108 VanDerWaalsContact C-N 3.27Å; W106-H108 PolarHBondContact O-N 3.49Å; W106-L109 PolarHBondContact O-N 2.91Å; W106-H110 WeakPolarHBondContact O-CB 3.42Å; W106-H110 PolarHBondContact O-N 3.01Å
107	L	89.8	Confident	86	Confident	42 Å²	42	55.2 Å²	55.2	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-37.2	178.6	-171.4	61.5	0	0	0	111.2	A103 S111 L193 A196 S197 M200	A103-L107 WeakPolarHBondContact O-CB 3.4Å; A103-L107 PolarHBondContact O-N 3.42Å; L107-S111 VanDerWaalsContact O-CB 3.31Å; L107-S111 WeakPolarHBondContact O-CB 3.48Å; L107-S111 PolarHBondContact O-N 3.44Å; L107-S111 PolarHBondContact O-OG 3.31Å; L107-L193 HydrophobicContact CB-CD1 4.3Å; L107-L193 HydrophobicContact CD2-CD1 3.8Å; L107-A196 HydrophobicContact CB-CB 4.24Å; L107-A196 HydrophobicContact CD2-CB 4.06Å; L107-A196 HydrophobicContact CG-CB 3.87Å; L107-S197 WeakPolarHBondContact CD2-OG 3.37Å; L107-M200 HydrophobicContact CD1-CG 4Å
108	H	86.2	Confident	83.9	Confident	59 Å²	59	56.1 Å²	56.1	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-50.1	175.1	-176.7	70.6	0	0	0	113.3	S104 H105 W106 H110 S111 S112 H192 A196	S104-H108 VanDerWaalsContact O-CB 3.3Å; S104-H108 WeakPolarHBondContact O-CB 3.41Å; S104-H108 PolarHBondContact O-N 3.44Å; S104-H108 VanDerWaalsContact O-N 3.1Å; H105-H108 PolarHBondContact O-N 3.46Å; W106-H108 VanDerWaalsContact C-N 3.27Å; W106-H108 PolarHBondContact O-N 3.49Å; H108-H110 PolarHBondContact O-N 3.06Å; H108-S111 PolarHBondContact O-N 3.05Å; H108-S111 PolarHBondContact O-OG 3.45Å; H108-S112 WeakPolarHBondContact O-CB 3.19Å; H108-S112 PolarHBondContact O-N 2.88Å; H108-S112 PolarHBondContact O-OG 3.08Å; H108-H192 WeakPolarHBondContact CB-NE2 3.38Å; H108-H192 AromaticContact CD2-CE1 3.72Å; H108-H192 AromaticContact CD2-NE2 3.29Å; H108-H192 PolarHBondContact CD2-NE2 3.1Å; H108-H192 VanDerWaalsContact CD2-NE2 3.29Å; H108-H192 AromaticContact CE1-CE1 3.75Å; H108-H192 AromaticContact CE1-NE2 3.58Å; H108-H192 AromaticContact CG-CD2 3.86Å; H108-H192 AromaticContact CG-CE1 3.67Å; H108-H192 AromaticContact CG-NE2 2.84Å; H108-H192 AromaticContact ND1-CE1 3.69Å; H108-H192 AromaticContact ND1-NE2 3.05Å; H108-H192 PolarHBondContact ND1-NE2 3.17Å; H108-H192 AromaticContact NE2-CE1 3.78Å; H108-H192 AromaticContact NE2-NE2 3.73Å; H108-A196 HydrophobicContact CB-CB 4.31Å
109	L	86.8	Confident	81.4	Confident	57 Å²	57	59.6 Å²	59.6	30%	0.298	36%	0.36	S	S	.	.	H	α-helix	trans	-55.5	-45.8	176.9	-178.8	78.4	0	0	0	110.3	M66 M69 H105 W106 S112 T113	M66-L109 HydrophobicContact CE-CD2 3.88Å; M66-L109 HydrophobicContact SD-CD2 3.73Å; M69-L109 HydrophobicContact CE-CD1 4.18Å; M69-L109 HydrophobicContact CE-CD2 3.65Å; M69-L109 HydrophobicContact CE-CG 4.34Å; M69-L109 HydrophobicContact SD-CD1 4.39Å; H105-L109 WeakPolarHBondContact O-CB 3.27Å; H105-L109 PolarHBondContact O-N 2.65Å; W106-L109 PolarHBondContact O-N 2.91Å; L109-S112 PolarHBondContact O-N 3.44Å; L109-T113 WeakPolarHBondContact O-CB 3.45Å; L109-T113 PolarHBondContact O-N 3.33Å; L109-T113 PolarHBondContact O-OG1 3.38Å
110	H	87.8	Confident	78.8	Confident	90 Å²	90	64.5 Å²	64.5	42%	0.417	38%	0.375	S	S	.	.	H	α-helix	trans	-60.8	-50.7	177.2	-172.6	65.6	0	0	0	111.2	W106 H108 S112 T113 V114	W106-H110 WeakPolarHBondContact O-CB 3.42Å; W106-H110 PolarHBondContact O-N 3.01Å; H108-H110 PolarHBondContact O-N 3.06Å; H110-S112 VanDerWaalsContact C-N 3.31Å; H110-S112 PolarHBondContact O-N 3.48Å; H110-T113 PolarHBondContact O-N 3.44Å; H110-T113 VanDerWaalsContact O-N 3.15Å; H110-V114 WeakPolarHBondContact O-CG2 3.43Å; H110-V114 PolarHBondContact O-N 3.28Å
111	S	83.6	Confident	76.4	Confident	5 Å²	5	70.2 Å²	70.2	4%	0.035	40%	0.398	C	S	.	.	H	α-helix	trans	-58.9	-40.2	178.7	75.5	0	0	0	0	112.9	L107 H108 K115 M200	L107-S111 VanDerWaalsContact O-CB 3.31Å; L107-S111 WeakPolarHBondContact O-CB 3.48Å; L107-S111 PolarHBondContact O-N 3.44Å; L107-S111 PolarHBondContact O-OG 3.31Å; H108-S111 PolarHBondContact O-N 3.05Å; H108-S111 PolarHBondContact O-OG 3.45Å; S111-K115 WeakPolarHBondContact O-CB 3.45Å; S111-K115 PolarHBondContact O-N 2.91Å; S111-M200 VanDerWaalsContact CA-SD 3.59Å
112	S	79.9	Confident	74	Confident	57 Å²	57	75.7 Å²	75.7	40%	0.399	43%	0.433	S	S	.	.	H	α-helix	trans	-69.4	-37.6	178.1	-67.4	0	0	0	0	111.9	H108 L109 H110 G116	H108-S112 WeakPolarHBondContact O-CB 3.19Å; H108-S112 PolarHBondContact O-N 2.88Å; H108-S112 PolarHBondContact O-OG 3.08Å; L109-S112 PolarHBondContact O-N 3.44Å; H110-S112 VanDerWaalsContact C-N 3.31Å; H110-S112 PolarHBondContact O-N 3.48Å; S112-G116 PolarHBondContact O-N 3.05Å
113	T	81.8	Confident	71.7	Confident	87 Å²	87	75.7 Å²	75.7	53%	0.534	43%	0.433	S	S	.	.	H	α-helix	trans	-68.5	-48.8	178	-57.9	0	0	0	0	111.3	L109 H110 K115 G116 S117	L109-T113 WeakPolarHBondContact O-CB 3.45Å; L109-T113 PolarHBondContact O-N 3.33Å; L109-T113 PolarHBondContact O-OG1 3.38Å; H110-T113 PolarHBondContact O-N 3.44Å; H110-T113 VanDerWaalsContact O-N 3.15Å; T113-K115 VanDerWaalsContact C-N 3.31Å; T113-K115 PolarHBondContact O-N 3.2Å; T113-G116 PolarHBondContact O-N 3.04Å; T113-G116 VanDerWaalsContact O-N 3.14Å; T113-S117 PolarHBondContact O-N 3.12Å; T113-S117 VanDerWaalsContact O-N 3.14Å; T113-S117 PolarHBondContact O-OG 3.45Å
114	V	81.6	Confident	69.9	Low	42 Å²	42	78.6 Å²	78.6	26%	0.255	44%	0.442	S	S	.	.	H	α-helix	trans	-62.2	-40.5	178.1	175.9	0	0	0	0	110.7	H110 S117 G118 L203	H110-V114 WeakPolarHBondContact O-CG2 3.43Å; H110-V114 PolarHBondContact O-N 3.28Å; V114-S117 WeakPolarHBondContact CA-OG 3.39Å; V114-S117 PolarHBondContact O-N 2.91Å; V114-S117 PolarHBondContact O-OG 3.38Å; V114-G118 PolarHBondContact O-N 3.48Å; V114-L203 HydrophobicContact CG1-CD1 4.12Å
115	K	71.2	Confident	67.8	Low	83 Å²	83	81.5 Å²	81.5	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-41.6	173.5	-173.6	176.4	177.8	175.3	0	112.4	S111 T113 S117 G118 I123	S111-K115 WeakPolarHBondContact O-CB 3.45Å; S111-K115 PolarHBondContact O-N 2.91Å; T113-K115 VanDerWaalsContact C-N 3.31Å; T113-K115 PolarHBondContact O-N 3.2Å; K115-S117 VanDerWaalsContact C-N 3.3Å; K115-S117 PolarHBondContact O-N 3.45Å; K115-G118 PolarHBondContact O-N 2.93Å; K115-G118 VanDerWaalsContact O-N 3.13Å; K115-I123 PolarHBondContact NZ-O 3.23Å
116	G	62.4	Low	65.9	Low	68 Å²	68	83.1 Å²	83.1	70%	0.701	47%	0.472	S	S	*	.	H	α-helix	trans	-65.4	-27.9	178.6	0	0	0	0	0	114.3	S112 T113	S112-G116 PolarHBondContact O-N 3.05Å; T113-G116 PolarHBondContact O-N 3.04Å; T113-G116 VanDerWaalsContact O-N 3.14Å
117	S	54.5	Low	64.2	Low	100 Å²	100	78.9 Å²	78.9	70%	0.699	48%	0.476	S	S	*	.	H	α-helix	trans	-77.9	-22.1	171.6	42.3	0	0	0	0	114	T113 V114 K115 S119	T113-S117 PolarHBondContact O-N 3.12Å; T113-S117 VanDerWaalsContact O-N 3.14Å; T113-S117 PolarHBondContact O-OG 3.45Å; V114-S117 WeakPolarHBondContact CA-OG 3.39Å; V114-S117 PolarHBondContact O-N 2.91Å; V114-S117 PolarHBondContact O-OG 3.38Å; K115-S117 VanDerWaalsContact C-N 3.3Å; K115-S117 PolarHBondContact O-N 3.45Å; S117-S119 PolarHBondContact O-N 3.02Å
118	G	51.3	Low	63.4	Low	48 Å²	48	79 Å²	79	50%	0.495	48%	0.477	S	S	.	.	S	Bend	trans	-93.4	77.9	178.9	0	0	0	0	0	112.3	V114 K115 H120	V114-G118 PolarHBondContact O-N 3.48Å; K115-G118 PolarHBondContact O-N 2.93Å; K115-G118 VanDerWaalsContact O-N 3.13Å; G118-H120 PolarHBondContact O-N 3.37Å
119	S	44.1	Very low	63.2	Low	102 Å²	102	80.8 Å²	80.8	71%	0.713	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	130.1	174.8	-166.3	0	0	0	0	111.7	S117	S117-S119 PolarHBondContact O-N 3.02Å
120	H	42.1	Very low	63	Low	178 Å²	178	82.5 Å²	82.5	82%	0.824	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	17.4	164.2	-76.3	-70.2	0	0	0	123.4	G118	G118-H120 PolarHBondContact O-N 3.37Å
121	K	43.9	Very low	62.6	Low	149 Å²	149	78.8 Å²	78.8	65%	0.648	49%	0.485	S	S	*	.			trans	-126.2	92.4	159.6	-74.4	-170.9	178.7	-173	0	111.6	I123	K121-I123 PolarHBondContact O-N 2.96Å
122	T	45.2	Very low	62.6	Low	131 Å²	131	86.7 Å²	86.7	80%	0.804	51%	0.514	S	S	*	.			trans	-65.8	81.1	172.2	45	0	0	0	0	110.2	D124	T122-D124 VanDerWaalsContact C-N 3.33Å; T122-D124 PolarHBondContact O-N 2.98Å
123	I	44.6	Very low	62.8	Low	67 Å²	67	88.9 Å²	88.9	34%	0.344	52%	0.521	S	S	.	.			trans	-80.8	94.5	155.5	-58.3	178.9	0	0	0	105.4	K115 K121 L125 A202	K115-I123 PolarHBondContact NZ-O 3.23Å; K121-I123 PolarHBondContact O-N 2.96Å; I123-L125 HydrophobicContact CG2-CD1 3.75Å; I123-L125 HydrophobicContact CG2-CG 4.24Å; I123-A202 HydrophobicContact CD1-CB 4.3Å; I123-A202 HydrophobicContact CG2-CB 4.48Å
124	D	57.1	Low	62.9	Low	105 Å²	105	85 Å²	85	56%	0.561	50%	0.497	S	S	*	.			trans	-86	108.4	171	-175.6	22.3	0	0	0	109.3	T122 S126	T122-D124 VanDerWaalsContact C-N 3.33Å; T122-D124 PolarHBondContact O-N 2.98Å; D124-S126 VanDerWaalsContact CG-OG 3.31Å; D124-S126 WeakPolarHBondContact OD1-CA 3.35Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.39Å; D124-S126 PolarHBondContact OD1-OG 3.4Å; D124-S126 PolarHBondContact OD2-OG 2.94Å
125	L	49.3	Very low	62.8	Low	60 Å²	60	87.7 Å²	87.7	31%	0.314	50%	0.503	S	S	.	.			trans	-113.5	18.4	170.4	-86.9	153.9	0	0	0	110	I123 G127 T195 N199	I123-L125 HydrophobicContact CG2-CD1 3.75Å; I123-L125 HydrophobicContact CG2-CG 4.24Å; L125-G127 PolarHBondContact O-N 3.27Å; L125-T195 HydrophobicContact CB-CG2 4.43Å; L125-T195 VanDerWaalsContact O-CG2 3.31Å; L125-T195 WeakPolarHBondContact O-CG2 3.4Å; L125-N199 WeakPolarHBondContact CB-OD1 3.49Å; L125-N199 WeakPolarHBondContact CD1-OD1 3.49Å
126	S	49.9	Very low	63.4	Low	62 Å²	62	88.7 Å²	88.7	43%	0.434	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	12.3	160.9	76.1	0	0	0	0	112.7	D124 N128	D124-S126 VanDerWaalsContact CG-OG 3.31Å; D124-S126 WeakPolarHBondContact OD1-CA 3.35Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.39Å; D124-S126 PolarHBondContact OD1-OG 3.4Å; D124-S126 PolarHBondContact OD2-OG 2.94Å; S126-N128 PolarHBondContact O-N 3.46Å; S126-N128 VanDerWaalsContact O-N 3.07Å
127	G	55.7	Low	64.6	Low	64 Å²	64	87.1 Å²	87.1	66%	0.66	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-8.3	173.8	0	0	0	0	0	114.5	L125 P129	L125-G127 PolarHBondContact O-N 3.27Å; G127-P129 VanDerWaalsContact O-CD 3.23Å; G127-P129 WeakPolarHBondContact O-CD 3.4Å
128	N	72.7	Confident	66	Low	45 Å²	45	90 Å²	90	24%	0.241	49%	0.494	C	S	.	.			trans	-74.8	112.9	171.1	-163.6	-52.5	0	0	0	110.2	S126 I130 L131 R132 L191	S126-N128 PolarHBondContact O-N 3.46Å; S126-N128 VanDerWaalsContact O-N 3.07Å; N128-I130 PolarHBondContact O-N 3.47Å; N128-I130 VanDerWaalsContact O-N 3.1Å; N128-I130 WeakPolarHBondContact OD1-CB 3.46Å; N128-I130 PolarHBondContact OD1-N 3.35Å; N128-L131 HydrophobicContact CB-CB 4.43Å; N128-L131 HydrophobicContact CB-CD1 4.34Å; N128-L131 HydrophobicContact CB-CG 4.43Å; N128-L131 PolarHBondContact O-N 2.96Å; N128-R132 PolarHBondContact O-N 2.68Å; N128-L191 VanDerWaalsContact ND2-CD1 3.28Å; N128-L191 WeakPolarHBondContact ND2-CD1 3.35Å
129	P	80.8	Confident	67.9	Low	97 Å²	97	92 Å²	92	63%	0.63	50%	0.499	S	S	*	.	H	α-helix	trans	-60	-27.4	-175.5	24.9	-34.4	0	0	0	112.7	G127 L133	G127-P129 VanDerWaalsContact O-CD 3.23Å; G127-P129 WeakPolarHBondContact O-CD 3.4Å; P129-L133 WeakPolarHBondContact O-CB 3.47Å; P129-L133 PolarHBondContact O-N 2.71Å
130	I	82.9	Confident	70	Confident	92 Å²	92	89.1 Å²	89.1	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-69.9	-49.4	179.2	-61.5	167	0	0	0	110.6	N128 R132 L133 Y134 I188 L191	N128-I130 PolarHBondContact O-N 3.47Å; N128-I130 VanDerWaalsContact O-N 3.1Å; N128-I130 WeakPolarHBondContact OD1-CB 3.46Å; N128-I130 PolarHBondContact OD1-N 3.35Å; I130-R132 VanDerWaalsContact C-N 3.29Å; I130-R132 PolarHBondContact O-N 3.35Å; I130-L133 PolarHBondContact O-N 3.31Å; I130-Y134 WeakPolarHBondContact O-CB 3.43Å; I130-Y134 PolarHBondContact O-N 2.74Å; I130-I188 HydrophobicContact CG2-CG1 4.22Å; I130-L191 HydrophobicContact CB-CD2 3.99Å; I130-L191 HydrophobicContact CD1-CD2 4.45Å; I130-L191 HydrophobicContact CG2-CD2 4.1Å
131	L	80.9	Confident	72.2	Confident	13 Å²	13	83.5 Å²	83.5	7%	0.068	45%	0.452	C	S	.	.	H	α-helix	trans	-64.1	-38.2	176.9	-71.3	176.6	0	0	0	111.1	N128 Y134 Y135 I188 L191 H192 T195	N128-L131 HydrophobicContact CB-CB 4.43Å; N128-L131 HydrophobicContact CB-CD1 4.34Å; N128-L131 HydrophobicContact CB-CG 4.43Å; N128-L131 PolarHBondContact O-N 2.96Å; L131-Y134 PolarHBondContact O-N 3.49Å; L131-Y135 HydrophobicContact CD2-CE2 4.49Å; L131-Y135 WeakPolarHBondContact O-CD2 3.24Å; L131-Y135 PolarHBondContact O-N 2.77Å; L131-I188 HydrophobicContact CD2-CG2 4.04Å; L131-L191 HydrophobicContact CD1-CD2 4.34Å; L131-L191 HydrophobicContact CD1-CG 4.02Å; L131-L191 HydrophobicContact CD2-CD2 4.23Å; L131-L191 HydrophobicContact CD2-CG 4.31Å; L131-L191 HydrophobicContact CG-CD2 3.78Å; L131-L191 HydrophobicContact CG-CG 3.96Å; L131-H192 HydrophobicContact CD2-CB 4.03Å; L131-T195 HydrophobicContact CD1-CG2 4.06Å; L131-T195 WeakPolarHBondContact CD1-OG1 3.44Å
132	R	81.9	Confident	74.4	Confident	170 Å²	170	83 Å²	83	64%	0.642	45%	0.45	S	S	*	.	H	α-helix	trans	-61.3	-47	175.4	-174.5	175.3	174.3	-177.2	-1.5	111.5	N128 I130 Y134 T136	N128-R132 PolarHBondContact O-N 2.68Å; I130-R132 VanDerWaalsContact C-N 3.29Å; I130-R132 PolarHBondContact O-N 3.35Å; R132-Y134 VanDerWaalsContact C-N 3.33Å; R132-Y134 PolarHBondContact O-N 2.57Å; R132-T136 WeakPolarHBondContact O-CB 3.38Å; R132-T136 PolarHBondContact O-N 3.04Å; R132-T136 PolarHBondContact O-OG1 3.02Å
133	L	84.1	Confident	76.7	Confident	104 Å²	104	80.3 Å²	80.3	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-60.3	-44.8	176.1	178.3	62	0	0	0	111.4	P129 I130 Y135 S137	P129-L133 WeakPolarHBondContact O-CB 3.47Å; P129-L133 PolarHBondContact O-N 2.71Å; I130-L133 PolarHBondContact O-N 3.31Å; L133-Y135 PolarHBondContact O-N 3.1Å; L133-S137 WeakPolarHBondContact O-CB 3.48Å; L133-S137 PolarHBondContact O-N 2.72Å; L133-S137 VanDerWaalsContact O-N 3.1Å
134	Y	84.8	Confident	79	Confident	6 Å²	6	78.2 Å²	78.2	2%	0.024	42%	0.423	C	S	.	.	H	α-helix	trans	-57.5	-46.2	-179.3	-174.4	-102.9	0	0	0	112.7	I130 L131 R132 V140 L141 M144 K185 I188	I130-Y134 WeakPolarHBondContact O-CB 3.43Å; I130-Y134 PolarHBondContact O-N 2.74Å; L131-Y134 PolarHBondContact O-N 3.49Å; R132-Y134 VanDerWaalsContact C-N 3.33Å; R132-Y134 PolarHBondContact O-N 2.57Å; Y134-V140 HydrophobicContact CD2-CG1 4.38Å; Y134-L141 HydrophobicContact CD1-CD1 4.21Å; Y134-L141 HydrophobicContact CE1-CD1 3.61Å; Y134-L141 HydrophobicContact CE2-CD1 4.38Å; Y134-M144 HydrophobicContact CD2-CB 4.46Å; Y134-M144 HydrophobicContact CD2-CG 4.14Å; Y134-M144 HydrophobicContact CE2-CB 3.56Å; Y134-M144 HydrophobicContact CE2-CG 3.69Å; Y134-K185 PolarHBondContact OH-NZ 3.28Å; Y134-I188 HydrophobicContact CD1-CG2 4.15Å; Y134-I188 HydrophobicContact CD2-CD1 3.7Å; Y134-I188 HydrophobicContact CD2-CG2 4.02Å; Y134-I188 HydrophobicContact CE1-CG2 4.37Å; Y134-I188 HydrophobicContact CE2-CD1 4.07Å; Y134-I188 HydrophobicContact CE2-CG2 4.23Å; Y134-I188 HydrophobicContact CG-CD1 4.48Å; Y134-I188 HydrophobicContact CG-CG2 3.97Å
135	Y	79.8	Confident	80.7	Confident	97 Å²	97	75 Å²	75	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-87.3	-25.3	-178.7	-75.1	-70.5	0	0	0	114.7	L131 L133 H192	L131-Y135 HydrophobicContact CD2-CE2 4.49Å; L131-Y135 WeakPolarHBondContact O-CD2 3.24Å; L131-Y135 PolarHBondContact O-N 2.77Å; L133-Y135 PolarHBondContact O-N 3.1Å; Y135-H192 AromaticContact CE2-CE1 3.27Å; Y135-H192 WeakPolarHBondContact CE2-CE1 3.36Å; Y135-H192 AromaticContact CE2-ND1 3.34Å; Y135-H192 VanDerWaalsContact CE2-ND1 3.34Å; Y135-H192 WeakPolarHBondContact CE2-ND1 3.43Å; Y135-H192 AromaticContact CZ-CE1 3.31Å; Y135-H192 AromaticContact CZ-ND1 3.58Å; Y135-H192 PolarHBondContact OH-CE1 3.14Å; Y135-H192 PolarHBondContact OH-ND1 3.24Å
136	T	83.2	Confident	82.7	Confident	105 Å²	105	74 Å²	74	64%	0.644	41%	0.408	S	S	*	.	H	α-helix	trans	-82.1	-32.5	-177.8	-51.9	0	0	0	0	111.8	R132	R132-T136 WeakPolarHBondContact O-CB 3.38Å; R132-T136 PolarHBondContact O-N 3.04Å; R132-T136 PolarHBondContact O-OG1 3.02Å
137	S	87.6	Confident	84.9	Confident	35 Å²	35	71.5 Å²	71.5	25%	0.245	39%	0.393	C	S	.	.			trans	-96.2	103.8	-176.1	-176.8	0	0	0	0	111.4	L133 P139 V140 L141	L133-S137 WeakPolarHBondContact O-CB 3.48Å; L133-S137 PolarHBondContact O-N 2.72Å; L133-S137 VanDerWaalsContact O-N 3.1Å; S137-P139 VanDerWaalsContact C-CD 3.49Å; S137-P139 VanDerWaalsContact C-N 3.34Å; S137-V140 PolarHBondContact O-N 2.97Å; S137-V140 VanDerWaalsContact O-N 3.08Å; S137-V140 WeakPolarHBondContact OG-CG2 3.45Å; S137-L141 PolarHBondContact O-N 2.96Å
138	K	84.9	Confident	86.8	Confident	160 Å²	160	68.9 Å²	68.9	70%	0.696	36%	0.364	S	S	*	.	H	α-helix	trans	-52.5	-43.1	176.4	-63.6	-178.8	-179.3	176	0	113.2	V140 L141 F142	K138-V140 PolarHBondContact O-N 3.31Å; K138-L141 PolarHBondContact O-N 3.44Å; K138-F142 WeakPolarHBondContact O-CB 3.09Å; K138-F142 PolarHBondContact O-N 2.75Å
139	P	89.4	Confident	87.9	Confident	90 Å²	90	68.2 Å²	68.2	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-62.6	-40.3	176.4	-24.1	35	0	0	0	113.2	S137 F142 V143	S137-P139 VanDerWaalsContact C-CD 3.49Å; S137-P139 VanDerWaalsContact C-N 3.34Å; P139-F142 PolarHBondContact O-N 3.17Å; P139-V143 WeakPolarHBondContact O-CB 3.17Å; P139-V143 VanDerWaalsContact O-CG2 3.26Å; P139-V143 WeakPolarHBondContact O-CG2 3.4Å; P139-V143 PolarHBondContact O-N 2.92Å
140	V	89.6	Confident	88.6	Confident	42 Å²	42	66.4 Å²	66.4	26%	0.255	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-47.8	178.6	172.8	0	0	0	0	110.2	Y134 S137 K138 F142 V143 M144	Y134-V140 HydrophobicContact CD2-CG1 4.38Å; S137-V140 PolarHBondContact O-N 2.97Å; S137-V140 VanDerWaalsContact O-N 3.08Å; S137-V140 WeakPolarHBondContact OG-CG2 3.45Å; K138-V140 PolarHBondContact O-N 3.31Å; V140-F142 VanDerWaalsContact C-N 3.33Å; V140-F142 PolarHBondContact O-N 3.49Å; V140-V143 PolarHBondContact O-N 3.45Å; V140-M144 HydrophobicContact CG1-CG 4.28Å; V140-M144 WeakPolarHBondContact O-CB 3.16Å; V140-M144 WeakPolarHBondContact O-CG 3.43Å; V140-M144 PolarHBondContact O-N 3Å
141	L	88.3	Confident	89.3	Confident	59 Å²	59	64 Å²	64	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-57.3	-48.3	177.4	-176.4	64	0	0	0	111.3	Y134 S137 K138 M144 C145	Y134-L141 HydrophobicContact CD1-CD1 4.21Å; Y134-L141 HydrophobicContact CE1-CD1 3.61Å; Y134-L141 HydrophobicContact CE2-CD1 4.38Å; S137-L141 PolarHBondContact O-N 2.96Å; K138-L141 PolarHBondContact O-N 3.44Å; L141-M144 PolarHBondContact O-N 3.35Å; L141-C145 WeakPolarHBondContact O-CB 3.41Å; L141-C145 PolarHBondContact O-N 3.47Å; L141-C145 PolarHBondContact O-SG 3.15Å
142	F	90.1	Very high	90.1	Very high	138 Å²	138	63.7 Å²	63.7	61%	0.605	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-49.9	178.9	179.4	-97.3	0	0	0	111.9	K138 P139 V140 M144 C145 A146	K138-F142 WeakPolarHBondContact O-CB 3.09Å; K138-F142 PolarHBondContact O-N 2.75Å; P139-F142 PolarHBondContact O-N 3.17Å; V140-F142 VanDerWaalsContact C-N 3.33Å; V140-F142 PolarHBondContact O-N 3.49Å; F142-M144 VanDerWaalsContact C-N 3.3Å; F142-M144 PolarHBondContact O-N 2.77Å; F142-C145 PolarHBondContact O-N 3.2Å; F142-A146 HydrophobicContact CE1-CB 4.21Å; F142-A146 HydrophobicContact CZ-CB 4.2Å; F142-A146 WeakPolarHBondContact O-CB 3.34Å; F142-A146 PolarHBondContact O-N 2.93Å
143	V	92.8	Very high	90.7	Very high	76 Å²	76	55.8 Å²	55.8	46%	0.461	30%	0.299	S	S	.	.	H	α-helix	trans	-60.6	-41.1	179.7	168.3	0	0	0	0	111.3	P139 V140 G147	P139-V143 WeakPolarHBondContact O-CB 3.17Å; P139-V143 VanDerWaalsContact O-CG2 3.26Å; P139-V143 WeakPolarHBondContact O-CG2 3.4Å; P139-V143 PolarHBondContact O-N 2.92Å; V140-V143 PolarHBondContact O-N 3.45Å; V143-G147 WeakPolarHBondContact O-CA 3.49Å; V143-G147 PolarHBondContact O-N 2.88Å
144	M	93.3	Very high	91.3	Very high	22 Å²	22	51.1 Å²	51.1	11%	0.108	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-43.8	179.9	-66.6	-68.4	140.8	0	0	112	Y134 V140 L141 F142 N148 V181 L184	Y134-M144 HydrophobicContact CD2-CB 4.46Å; Y134-M144 HydrophobicContact CD2-CG 4.14Å; Y134-M144 HydrophobicContact CE2-CB 3.56Å; Y134-M144 HydrophobicContact CE2-CG 3.69Å; V140-M144 HydrophobicContact CG1-CG 4.28Å; V140-M144 WeakPolarHBondContact O-CB 3.16Å; V140-M144 WeakPolarHBondContact O-CG 3.43Å; V140-M144 PolarHBondContact O-N 3Å; L141-M144 PolarHBondContact O-N 3.35Å; F142-M144 VanDerWaalsContact C-N 3.3Å; F142-M144 PolarHBondContact O-N 2.77Å; M144-N148 VanDerWaalsContact O-CB 3.26Å; M144-N148 WeakPolarHBondContact O-CB 3.42Å; M144-N148 PolarHBondContact O-N 3.4Å; M144-N148 VanDerWaalsContact O-N 3.17Å; M144-V181 HydrophobicContact CE-CG1 4.41Å; M144-V181 HydrophobicContact SD-CG1 3.91Å; M144-L184 HydrophobicContact CE-CD2 3.63Å; M144-L184 HydrophobicContact CE-CG 4.47Å; M144-L184 HydrophobicContact SD-CB 4.49Å; M144-L184 HydrophobicContact SD-CD2 3.92Å; M144-L184 HydrophobicContact SD-CG 4.12Å
145	C	91.9	Very high	91.8	Very high	38 Å²	38	52 Å²	52	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-53.7	176.5	-69	0	0	0	0	111.5	L141 F142 G147 N148 E149 K185	L141-C145 WeakPolarHBondContact O-CB 3.41Å; L141-C145 PolarHBondContact O-N 3.47Å; L141-C145 PolarHBondContact O-SG 3.15Å; F142-C145 PolarHBondContact O-N 3.2Å; C145-G147 PolarHBondContact O-N 2.78Å; C145-N148 PolarHBondContact O-N 3.34Å; C145-E149 WeakPolarHBondContact O-CG 3.23Å; C145-E149 PolarHBondContact O-N 2.79Å; C145-K185 PolarHBondContact SG-NZ 3Å
146	A	93.2	Very high	92.5	Very high	38 Å²	38	47.5 Å²	47.5	31%	0.314	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-42.1	-179.5	0	0	0	0	0	112.1	F142 N148 E149 L150	F142-A146 HydrophobicContact CE1-CB 4.21Å; F142-A146 HydrophobicContact CZ-CB 4.2Å; F142-A146 WeakPolarHBondContact O-CB 3.34Å; F142-A146 PolarHBondContact O-N 2.93Å; A146-N148 PolarHBondContact O-N 3.49Å; A146-E149 PolarHBondContact O-N 3.23Å; A146-L150 WeakPolarHBondContact O-CB 3.28Å; A146-L150 PolarHBondContact O-N 3.4Å
147	G	95.3	Very high	93	Very high	11 Å²	11	43.5 Å²	43.5	11%	0.113	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-35.6	178	0	0	0	0	0	113.2	V143 C145 F151 C178	V143-G147 WeakPolarHBondContact O-CA 3.49Å; V143-G147 PolarHBondContact O-N 2.88Å; C145-G147 PolarHBondContact O-N 2.78Å; G147-F151 WeakPolarHBondContact O-CB 3.46Å; G147-F151 PolarHBondContact O-N 3.17Å; G147-C178 WeakPolarHBondContact O-CB 3.26Å
148	N	96.1	Very high	93.2	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-48.4	173.7	-179.1	79.5	0	0	0	112.3	M144 C145 A146 L150 F151 F152 S182 K185	M144-N148 VanDerWaalsContact O-CB 3.26Å; M144-N148 WeakPolarHBondContact O-CB 3.42Å; M144-N148 PolarHBondContact O-N 3.4Å; M144-N148 VanDerWaalsContact O-N 3.17Å; C145-N148 PolarHBondContact O-N 3.34Å; A146-N148 PolarHBondContact O-N 3.49Å; N148-L150 VanDerWaalsContact C-N 3.3Å; N148-L150 PolarHBondContact O-N 3.35Å; N148-F151 WeakPolarHBondContact O-CB 3.41Å; N148-F151 PolarHBondContact O-N 3.37Å; N148-F152 VanDerWaalsContact O-CD2 3.3Å; N148-F152 WeakPolarHBondContact O-CD2 3.31Å; N148-F152 PolarHBondContact O-N 2.97Å; N148-F152 WeakPolarHBondContact OD1-CE2 3.38Å; N148-S182 PolarHBondContact OD1-OG 3.27Å; N148-K185 HydrophobicContact CB-CD 3.47Å; N148-K185 VanDerWaalsContact CB-CD 3.47Å
149	E	95.4	Very high	93.5	Very high	31 Å²	31	39.7 Å²	39.7	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-42.4	177.2	-69.2	-50.5	126.5	0	0	111.4	Y40 T76 C145 A146 F151 F152 C153	Y40-E149 PolarHBondContact OH-OE2 3Å; T76-E149 WeakPolarHBondContact CG2-OE1 3Å; T76-E149 VanDerWaalsContact OG1-CD 3.26Å; T76-E149 PolarHBondContact OG1-OE1 3.26Å; T76-E149 PolarHBondContact OG1-OE2 3.16Å; C145-E149 WeakPolarHBondContact O-CG 3.23Å; C145-E149 PolarHBondContact O-N 2.79Å; A146-E149 PolarHBondContact O-N 3.23Å; E149-F151 VanDerWaalsContact C-N 3.34Å; E149-F151 PolarHBondContact O-N 3.37Å; E149-F152 PolarHBondContact O-N 2.83Å; E149-C153 WeakPolarHBondContact O-CB 3.36Å; E149-C153 PolarHBondContact O-N 3.37Å; E149-C153 PolarHBondContact O-SG 3.29Å
150	L	95.5	Very high	93.6	Very high	59 Å²	59	38.3 Å²	38.3	31%	0.309	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-37.8	177.3	-172.5	59	0	0	0	111.4	A146 N148 F152 C153 L154	A146-L150 WeakPolarHBondContact O-CB 3.28Å; A146-L150 PolarHBondContact O-N 3.4Å; N148-L150 VanDerWaalsContact C-N 3.3Å; N148-L150 PolarHBondContact O-N 3.35Å; L150-F152 PolarHBondContact O-N 3.18Å; L150-C153 PolarHBondContact O-N 2.94Å; L150-L154 HydrophobicContact CD1-CD1 4.2Å; L150-L154 HydrophobicContact CD1-CD2 4.25Å; L150-L154 HydrophobicContact CD1-CG 3.94Å; L150-L154 HydrophobicContact CD2-CD1 4.43Å; L150-L154 HydrophobicContact CG-CD1 3.77Å; L150-L154 HydrophobicContact CG-CG 4.03Å; L150-L154 VanDerWaalsContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 WeakPolarHBondContact O-CG 3.39Å; L150-L154 PolarHBondContact O-N 2.96Å
151	F	97.1	Very high	93.4	Very high	42 Å²	42	37.7 Å²	37.7	18%	0.184	20%	0.199	C	C	.	.	H	α-helix	trans	-56.1	-51.9	174.9	173.4	-113.1	0	0	0	112.2	G147 N148 E149 L154 L155 L175 C178	G147-F151 WeakPolarHBondContact O-CB 3.46Å; G147-F151 PolarHBondContact O-N 3.17Å; N148-F151 WeakPolarHBondContact O-CB 3.41Å; N148-F151 PolarHBondContact O-N 3.37Å; E149-F151 VanDerWaalsContact C-N 3.34Å; E149-F151 PolarHBondContact O-N 3.37Å; F151-L154 PolarHBondContact O-N 2.96Å; F151-L155 HydrophobicContact CD1-CD1 4.29Å; F151-L155 HydrophobicContact CE1-CD1 3.68Å; F151-L155 HydrophobicContact CE2-CD1 4.12Å; F151-L155 HydrophobicContact CE2-CD2 4.44Å; F151-L155 HydrophobicContact CE2-CG 4.19Å; F151-L155 HydrophobicContact CZ-CD1 3.59Å; F151-L155 HydrophobicContact CZ-CG 4.17Å; F151-L155 PolarHBondContact O-N 3.1Å; F151-L175 HydrophobicContact CD2-CD1 3.72Å; F151-L175 HydrophobicContact CD2-CG 4.43Å; F151-L175 HydrophobicContact CE2-CD1 3.86Å; F151-L175 HydrophobicContact CE2-CG 4.32Å; F151-C178 HydrophobicContact CB-CB 3.76Å; F151-C178 HydrophobicContact CD2-CB 4.45Å
152	F	96.9	Very high	92.6	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-38.5	179.7	-65.9	-56.1	0	0	0	112.2	T76 L79 L80 L83 F94 N148 E149 L150 L154 L155 Y156	T76-F152 HydrophobicContact CG2-CD2 4.39Å; L79-F152 HydrophobicContact CD2-CB 3.56Å; L79-F152 HydrophobicContact CG-CB 4.15Å; L80-F152 HydrophobicContact CD1-CD1 4.36Å; L80-F152 HydrophobicContact CD1-CD2 3.86Å; L80-F152 HydrophobicContact CD1-CE1 4.34Å; L80-F152 HydrophobicContact CD1-CE2 3.82Å; L80-F152 HydrophobicContact CD1-CG 4.14Å; L80-F152 HydrophobicContact CD1-CZ 4.08Å; L80-F152 HydrophobicContact CD2-CD1 4.47Å; L80-F152 HydrophobicContact CD2-CE1 3.86Å; L80-F152 HydrophobicContact CD2-CE2 4.34Å; L80-F152 HydrophobicContact CD2-CZ 3.79Å; L80-F152 HydrophobicContact CG-CD1 4.17Å; L80-F152 HydrophobicContact CG-CE1 4.06Å; L80-F152 HydrophobicContact CG-CE2 4.41Å; L80-F152 HydrophobicContact CG-CG 4.42Å; L80-F152 HydrophobicContact CG-CZ 4.19Å; L83-F152 HydrophobicContact CD1-CB 3.81Å; L83-F152 HydrophobicContact CD1-CD1 3.69Å; L83-F152 HydrophobicContact CD1-CG 4.16Å; F94-F152 HydrophobicContact CD1-CE1 4.09Å; F94-F152 HydrophobicContact CE1-CD1 4.25Å; F94-F152 HydrophobicContact CE1-CE1 4.09Å; N148-F152 VanDerWaalsContact O-CD2 3.3Å; N148-F152 WeakPolarHBondContact O-CD2 3.31Å; N148-F152 PolarHBondContact O-N 2.97Å; N148-F152 WeakPolarHBondContact OD1-CE2 3.38Å; E149-F152 PolarHBondContact O-N 2.83Å; L150-F152 PolarHBondContact O-N 3.18Å; F152-L154 PolarHBondContact O-N 3.01Å; F152-L155 HydrophobicContact CD1-CD1 4.34Å; F152-L155 PolarHBondContact O-N 3.07Å; F152-Y156 PolarHBondContact O-N 2.92Å
153	C	96	Very high	91.9	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.027	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-42.6	173.4	-70.8	0	0	0	0	112.1	Y40 L41 E149 L150 Y156 I157	Y40-C153 WeakPolarHBondContact CD1-SG 3.5Å; Y40-C153 WeakPolarHBondContact CE1-SG 3.35Å; L41-C153 HydrophobicContact CD2-CB 4.46Å; E149-C153 WeakPolarHBondContact O-CB 3.36Å; E149-C153 PolarHBondContact O-N 3.37Å; E149-C153 PolarHBondContact O-SG 3.29Å; L150-C153 PolarHBondContact O-N 2.94Å; C153-Y156 WeakPolarHBondContact O-CB 3.49Å; C153-Y156 PolarHBondContact O-N 3.49Å; C153-I157 VanDerWaalsContact O-CG1 3.28Å; C153-I157 WeakPolarHBondContact O-CG1 3.41Å; C153-I157 PolarHBondContact O-N 2.79Å
154	L	95.2	Very high	90.8	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-35.8	178.9	-69.5	170.6	0	0	0	111.8	L150 F151 F152 Y156 I157 L158 W170 L171 L174 L175 C178	L150-L154 HydrophobicContact CD1-CD1 4.2Å; L150-L154 HydrophobicContact CD1-CD2 4.25Å; L150-L154 HydrophobicContact CD1-CG 3.94Å; L150-L154 HydrophobicContact CD2-CD1 4.43Å; L150-L154 HydrophobicContact CG-CD1 3.77Å; L150-L154 HydrophobicContact CG-CG 4.03Å; L150-L154 VanDerWaalsContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 WeakPolarHBondContact O-CG 3.39Å; L150-L154 PolarHBondContact O-N 2.96Å; F151-L154 PolarHBondContact O-N 2.96Å; F152-L154 PolarHBondContact O-N 3.01Å; L154-Y156 VanDerWaalsContact C-N 3.33Å; L154-I157 PolarHBondContact O-N 2.67Å; L154-L158 WeakPolarHBondContact O-CB 3.27Å; L154-L158 PolarHBondContact O-N 3.45Å; L154-W170 HydrophobicContact CD2-CZ3 4.46Å; L154-L171 HydrophobicContact CB-CD1 4.41Å; L154-L171 HydrophobicContact CD2-CD1 3.63Å; L154-L174 HydrophobicContact CD1-CB 4.42Å; L154-L174 HydrophobicContact CD1-CD2 3.82Å; L154-L174 HydrophobicContact CD1-CG 3.67Å; L154-L174 HydrophobicContact CD2-CD2 4.07Å; L154-L175 HydrophobicContact CB-CD1 3.69Å; L154-C178 HydrophobicContact CD1-CB 4.37Å
155	L	95.3	Very high	89.8	Confident	25 Å²	25	44.8 Å²	44.8	13%	0.131	25%	0.25	C	S	.	.	H	α-helix	trans	-60.6	-44	170.7	-74.8	177.6	0	0	0	111.4	L83 Y87 F94 F151 F152 L158 H159 L175	L83-L155 HydrophobicContact CD1-CB 4.37Å; L83-L155 HydrophobicContact CD1-CD1 4.48Å; L83-L155 HydrophobicContact CD2-CB 3.83Å; Y87-L155 PolarHBondContact OH-O 2.99Å; F94-L155 HydrophobicContact CE1-CD1 4.09Å; F94-L155 HydrophobicContact CZ-CD1 4.24Å; F151-L155 HydrophobicContact CD1-CD1 4.29Å; F151-L155 HydrophobicContact CE1-CD1 3.68Å; F151-L155 HydrophobicContact CE2-CD1 4.12Å; F151-L155 HydrophobicContact CE2-CD2 4.44Å; F151-L155 HydrophobicContact CE2-CG 4.19Å; F151-L155 HydrophobicContact CZ-CD1 3.59Å; F151-L155 HydrophobicContact CZ-CG 4.17Å; F151-L155 PolarHBondContact O-N 3.1Å; F152-L155 HydrophobicContact CD1-CD1 4.34Å; F152-L155 PolarHBondContact O-N 3.07Å; L155-L158 PolarHBondContact O-N 3.17Å; L155-H159 PolarHBondContact O-N 3.22Å; L155-H159 VanDerWaalsContact O-N 3.14Å; L155-L175 HydrophobicContact CD2-CD1 3.85Å; L155-L175 HydrophobicContact CD2-CD2 4.06Å; L155-L175 HydrophobicContact CD2-CG 4.49Å; L155-L175 HydrophobicContact CG-CD1 3.93Å
156	Y	95.4	Very high	88.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-46.9	177.4	177.4	-93.4	0	0	0	111.3	M29 P33 V37 L79 N82 L86 F152 C153 L154 L158 H159 H160	M29-Y156 VanDerWaalsContact CA-OH 3.27Å; M29-Y156 WeakPolarHBondContact CA-OH 3.48Å; M29-Y156 HydrophobicContact CB-CE2 4.15Å; M29-Y156 HydrophobicContact CG-CE2 4.06Å; M29-Y156 PolarHBondContact O-OH 3.06Å; P33-Y156 VanDerWaalsContact CA-OH 3.29Å; P33-Y156 WeakPolarHBondContact CA-OH 3.48Å; P33-Y156 HydrophobicContact CB-CE1 3.93Å; P33-Y156 WeakPolarHBondContact CB-OH 3.49Å; V37-Y156 HydrophobicContact CG2-CD1 3.47Å; V37-Y156 VanDerWaalsContact CG2-CD1 3.47Å; V37-Y156 HydrophobicContact CG2-CE1 3.58Å; L79-Y156 HydrophobicContact CD1-CG 4.43Å; N82-Y156 WeakPolarHBondContact OD1-CE2 3.46Å; L86-Y156 HydrophobicContact CD1-CD2 3.67Å; L86-Y156 HydrophobicContact CD1-CE2 3.84Å; F152-Y156 PolarHBondContact O-N 2.92Å; C153-Y156 WeakPolarHBondContact O-CB 3.49Å; C153-Y156 PolarHBondContact O-N 3.49Å; L154-Y156 VanDerWaalsContact C-N 3.33Å; Y156-L158 PolarHBondContact O-N 2.74Å; Y156-H159 WeakPolarHBondContact O-CB 3.29Å; Y156-H159 PolarHBondContact O-N 3.37Å; Y156-H160 AromaticContact CE1-CD2 3.94Å; Y156-H160 AromaticContact CE2-NE2 3.65Å; Y156-H160 AromaticContact CZ-CD2 3.77Å; Y156-H160 AromaticContact CZ-NE2 3.59Å; Y156-H160 PolarHBondContact O-CD2 3.23Å; Y156-H160 VanDerWaalsContact O-CD2 3.25Å
157	I	93.2	Very high	87.6	Confident	20 Å²	20	44.4 Å²	44.4	10%	0.103	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.3	-67.4	164.5	0	0	0	111.2	W34 V37 C153 L154 H159 H160 I161	W34-I157 HydrophobicContact CH2-CG2 4.06Å; W34-I157 HydrophobicContact CZ3-CG2 4.03Å; V37-I157 HydrophobicContact CG1-CD1 3.89Å; V37-I157 HydrophobicContact CG1-CG1 4.23Å; V37-I157 HydrophobicContact CG2-CD1 4.32Å; V37-I157 HydrophobicContact CG2-CG1 3.76Å; C153-I157 VanDerWaalsContact O-CG1 3.28Å; C153-I157 WeakPolarHBondContact O-CG1 3.41Å; C153-I157 PolarHBondContact O-N 2.79Å; L154-I157 PolarHBondContact O-N 2.67Å; I157-H159 PolarHBondContact O-N 3.37Å; I157-H160 PolarHBondContact O-N 2.91Å; I157-I161 HydrophobicContact CG2-CD1 3.41Å; I157-I161 VanDerWaalsContact CG2-CD1 3.41Å; I157-I161 HydrophobicContact CG2-CG1 3.92Å; I157-I161 WeakPolarHBondContact O-CG1 3.28Å; I157-I161 PolarHBondContact O-N 3.16Å
158	L	92.4	Very high	86.5	Confident	39 Å²	39	47.1 Å²	47.1	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-37	179.9	179.4	69.1	0	0	0	111.6	L154 L155 Y156 H160 L171 L175	L154-L158 WeakPolarHBondContact O-CB 3.27Å; L154-L158 PolarHBondContact O-N 3.45Å; L155-L158 PolarHBondContact O-N 3.17Å; Y156-L158 PolarHBondContact O-N 2.74Å; L158-H160 PolarHBondContact O-N 2.91Å; L158-L171 HydrophobicContact CB-CD2 4.14Å; L158-L171 HydrophobicContact CD1-CD2 3.5Å; L158-L171 HydrophobicContact CD1-CG 4.26Å; L158-L171 HydrophobicContact CG-CD2 4.43Å; L158-L175 HydrophobicContact CD2-CD2 3.85Å
159	H	91.4	Very high	85.7	Confident	77 Å²	77	49.1 Å²	49.1	36%	0.356	29%	0.288	S	S	.	.	H	α-helix	trans	-59.1	-35.4	175.6	-168.9	84.4	0	0	0	112.6	L86 Y87 L155 Y156 I157	L86-H159 HydrophobicContact CD1-CB 4.22Å; L86-H159 PolarHBondContact O-CE1 3.43Å; Y87-H159 AromaticContact CE1-ND1 3.91Å; Y87-H159 HydrophobicContact CE2-CB 4.03Å; Y87-H159 AromaticContact CZ-ND1 3.66Å; Y87-H159 WeakPolarHBondContact OH-CA 3.27Å; Y87-H159 VanDerWaalsContact OH-CB 3.31Å; Y87-H159 WeakPolarHBondContact OH-CB 3.31Å; Y87-H159 PolarHBondContact OH-N 2.88Å; L155-H159 PolarHBondContact O-N 3.22Å; L155-H159 VanDerWaalsContact O-N 3.14Å; Y156-H159 WeakPolarHBondContact O-CB 3.29Å; Y156-H159 PolarHBondContact O-N 3.37Å; I157-H159 PolarHBondContact O-N 3.37Å
160	H	90.2	Very high	85.1	Confident	60 Å²	60	54.3 Å²	54.3	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-98.4	-13.8	-173.3	-66.8	-67.6	0	0	0	114.2	P33 Y156 I157 L158 Q162	P33-H160 HydrophobicContact CB-CB 4.15Å; P33-H160 HydrophobicContact CG-CB 4.26Å; Y156-H160 AromaticContact CE1-CD2 3.94Å; Y156-H160 AromaticContact CE2-NE2 3.65Å; Y156-H160 AromaticContact CZ-CD2 3.77Å; Y156-H160 AromaticContact CZ-NE2 3.59Å; Y156-H160 PolarHBondContact O-CD2 3.23Å; Y156-H160 VanDerWaalsContact O-CD2 3.25Å; I157-H160 PolarHBondContact O-N 2.91Å; L158-H160 PolarHBondContact O-N 2.91Å; H160-Q162 PolarHBondContact O-N 3.38Å
161	I	87	Confident	84.7	Confident	30 Å²	30	51.5 Å²	51.5	15%	0.154	29%	0.292	C	S	.	.			trans	-79.9	116.7	173.8	-70.6	177.8	0	0	0	109.9	W34 I157 N163 V166 L171	W34-I161 HydrophobicContact CH2-CD1 4Å; W34-I161 HydrophobicContact CH2-CG1 3.75Å; W34-I161 HydrophobicContact CZ2-CG1 4.12Å; I157-I161 HydrophobicContact CG2-CD1 3.41Å; I157-I161 VanDerWaalsContact CG2-CD1 3.41Å; I157-I161 HydrophobicContact CG2-CG1 3.92Å; I157-I161 WeakPolarHBondContact O-CG1 3.28Å; I157-I161 PolarHBondContact O-N 3.16Å; I161-N163 HydrophobicContact CG2-CB 4.44Å; I161-V166 HydrophobicContact CD1-CG1 4.24Å; I161-V166 HydrophobicContact CG2-CB 4.38Å; I161-V166 HydrophobicContact CG2-CG1 4.43Å; I161-L171 HydrophobicContact CD1-CD2 3.92Å
162	Q	71	Confident	84.4	Confident	187 Å²	187	53.6 Å²	53.6	87%	0.874	30%	0.302	S	S	*	.			trans	-90.7	-11.7	176.6	-65.1	176.7	-9.1	0	0	113.5	H160 P164	H160-Q162 PolarHBondContact O-N 3.38Å; Q162-P164 VanDerWaalsContact O-CD 3.25Å; Q162-P164 WeakPolarHBondContact O-CD 3.33Å
163	N	75.8	Confident	84.2	Confident	87 Å²	87	57 Å²	57	47%	0.465	32%	0.324	S	S	.	.			trans	-87.7	111	-174.2	-169.9	-31.6	0	0	0	111.8	I161 A165 V166 S167	I161-N163 HydrophobicContact CG2-CB 4.44Å; N163-A165 VanDerWaalsContact C-N 3.27Å; N163-A165 PolarHBondContact O-N 2.95Å; N163-A165 WeakPolarHBondContact OD1-CB 3.46Å; N163-A165 PolarHBondContact OD1-N 2.91Å; N163-V166 HydrophobicContact CB-CB 4.37Å; N163-V166 HydrophobicContact CB-CG2 4.16Å; N163-V166 PolarHBondContact O-N 3.49Å; N163-S167 PolarHBondContact O-N 2.92Å
164	P	69.3	Low	84.1	Confident	94 Å²	94	59.4 Å²	59.4	61%	0.61	34%	0.337	S	S	*	.	H	α-helix	trans	-65.7	-26	-176.2	-21.4	35.1	0	0	0	114.1	Q162 S167 A168	Q162-P164 VanDerWaalsContact O-CD 3.25Å; Q162-P164 WeakPolarHBondContact O-CD 3.33Å; P164-S167 WeakPolarHBondContact CA-OG 3.46Å; P164-S167 PolarHBondContact O-OG 3.06Å; P164-S167 VanDerWaalsContact O-OG 3.04Å; P164-A168 WeakPolarHBondContact O-CB 3.3Å; P164-A168 PolarHBondContact O-N 3.37Å
165	A	71.6	Confident	84	Confident	75 Å²	75	60.1 Å²	60.1	62%	0.62	34%	0.34	S	S	*	.	H	α-helix	trans	-71.6	-35.4	179.2	0	0	0	0	0	111.8	N163 G169	N163-A165 VanDerWaalsContact C-N 3.27Å; N163-A165 PolarHBondContact O-N 2.95Å; N163-A165 WeakPolarHBondContact OD1-CB 3.46Å; N163-A165 PolarHBondContact OD1-N 2.91Å; A165-G169 PolarHBondContact O-N 3.49Å; A165-G169 VanDerWaalsContact O-N 3.16Å
166	V	70.6	Confident	84	Confident	50 Å²	50	62.1 Å²	62.1	30%	0.303	36%	0.361	S	S	.	.	H	α-helix	trans	-74	-40.6	176.1	178.2	0	0	0	0	110.4	I161 N163 W170	I161-V166 HydrophobicContact CD1-CG1 4.24Å; I161-V166 HydrophobicContact CG2-CB 4.38Å; I161-V166 HydrophobicContact CG2-CG1 4.43Å; N163-V166 HydrophobicContact CB-CB 4.37Å; N163-V166 HydrophobicContact CB-CG2 4.16Å; N163-V166 PolarHBondContact O-N 3.49Å; V166-W170 HydrophobicContact CG1-CZ2 4.05Å
167	S	69.4	Low	84.1	Confident	19 Å²	19	67.5 Å²	67.5	13%	0.133	39%	0.389	C	S	.	.	I	π-helix	trans	-66.9	-44	178.2	65.7	0	0	0	0	112.1	N163 P164 H172	N163-S167 PolarHBondContact O-N 2.92Å; P164-S167 WeakPolarHBondContact CA-OG 3.46Å; P164-S167 PolarHBondContact O-OG 3.06Å; P164-S167 VanDerWaalsContact O-OG 3.04Å; S167-H172 VanDerWaalsContact C-CD2 3.46Å; S167-H172 PolarHBondContact O-CD2 3.3Å; S167-H172 VanDerWaalsContact O-CG 3.31Å; S167-H172 PolarHBondContact O-N 3.48Å
168	A	70.9	Confident	84.2	Confident	68 Å²	68	66.8 Å²	66.8	56%	0.562	39%	0.386	S	S	*	.	I	π-helix	trans	-72.7	-29.7	-179.3	0	0	0	0	0	114.7	P164	P164-A168 WeakPolarHBondContact O-CB 3.3Å; P164-A168 PolarHBondContact O-N 3.37Å
169	G	80.9	Confident	84.4	Confident	51 Å²	51	65.4 Å²	65.4	53%	0.526	38%	0.381	S	S	.	.	I	π-helix	trans	-72.4	-74.2	-174.3	0	0	0	0	0	113.8	A165	A165-G169 PolarHBondContact O-N 3.49Å; A165-G169 VanDerWaalsContact O-N 3.16Å
170	W	82.1	Confident	84.7	Confident	139 Å²	139	64.6 Å²	64.6	53%	0.527	39%	0.388	S	S	.	.	I	π-helix	trans	-111.9	-24.5	-173.2	62.5	-93.4	0	0	0	113.3	L154 V166 L174	L154-W170 HydrophobicContact CD2-CZ3 4.46Å; V166-W170 HydrophobicContact CG1-CZ2 4.05Å; W170-L174 HydrophobicContact CE3-CD2 4.18Å; W170-L174 HydrophobicContact CZ3-CD2 4.12Å; W170-L174 VanDerWaalsContact O-CB 3.22Å; W170-L174 WeakPolarHBondContact O-CB 3.4Å; W170-L174 PolarHBondContact O-N 3.21Å
171	L	87.8	Confident	85	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	38%	0.381	C	S	.	.	I	π-helix	trans	-72	-49	-172.3	-175.9	62.8	0	0	0	112.3	L154 L158 I161 L174 L175	L154-L171 HydrophobicContact CB-CD1 4.41Å; L154-L171 HydrophobicContact CD2-CD1 3.63Å; L158-L171 HydrophobicContact CB-CD2 4.14Å; L158-L171 HydrophobicContact CD1-CD2 3.5Å; L158-L171 HydrophobicContact CD1-CG 4.26Å; L158-L171 HydrophobicContact CG-CD2 4.43Å; I161-L171 HydrophobicContact CD1-CD2 3.92Å; L171-L174 PolarHBondContact O-N 3.35Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 PolarHBondContact O-N 2.97Å
172	H	89.8	Confident	85.5	Confident	86 Å²	86	61.7 Å²	61.7	40%	0.398	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-45	178.5	-72.7	-49.3	0	0	0	113.9	S167 L174 L175 A176	S167-H172 VanDerWaalsContact C-CD2 3.46Å; S167-H172 PolarHBondContact O-CD2 3.3Å; S167-H172 VanDerWaalsContact O-CG 3.31Å; S167-H172 PolarHBondContact O-N 3.48Å; H172-L174 PolarHBondContact O-N 3.39Å; H172-L175 PolarHBondContact O-N 3.23Å; H172-A176 WeakPolarHBondContact O-CB 3.44Å; H172-A176 PolarHBondContact O-N 2.84Å
173	P	92.4	Very high	86.7	Confident	77 Å²	77	59.1 Å²	59.1	50%	0.5	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-43.5	174.7	-25.2	34.7	0	0	0	112.9	A176 L177	P173-A176 PolarHBondContact O-N 3.45Å; P173-L177 PolarHBondContact O-N 3.46Å
174	L	93.9	Very high	87.6	Confident	56 Å²	56	59.1 Å²	59.1	29%	0.293	37%	0.367	S	S	.	.	H	α-helix	trans	-65.6	-41.4	178.1	-178	63	0	0	0	111.5	L154 W170 L171 H172 A176 L177 C178	L154-L174 HydrophobicContact CD1-CB 4.42Å; L154-L174 HydrophobicContact CD1-CD2 3.82Å; L154-L174 HydrophobicContact CD1-CG 3.67Å; L154-L174 HydrophobicContact CD2-CD2 4.07Å; W170-L174 HydrophobicContact CE3-CD2 4.18Å; W170-L174 HydrophobicContact CZ3-CD2 4.12Å; W170-L174 VanDerWaalsContact O-CB 3.22Å; W170-L174 WeakPolarHBondContact O-CB 3.4Å; W170-L174 PolarHBondContact O-N 3.21Å; L171-L174 PolarHBondContact O-N 3.35Å; H172-L174 PolarHBondContact O-N 3.39Å; L174-A176 VanDerWaalsContact C-N 3.34Å; L174-A176 PolarHBondContact O-N 3.46Å; L174-L177 PolarHBondContact O-N 2.93Å; L174-C178 WeakPolarHBondContact O-CB 3.11Å; L174-C178 PolarHBondContact O-N 2.98Å; L174-C178 PolarHBondContact O-SG 2.86Å
175	L	94.5	Very high	88.8	Confident	20 Å²	20	54.8 Å²	54.8	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-42.8	175.3	-177.6	72.1	0	0	0	111.3	F151 L154 L155 L158 L171 H172 C178 G179	F151-L175 HydrophobicContact CD2-CD1 3.72Å; F151-L175 HydrophobicContact CD2-CG 4.43Å; F151-L175 HydrophobicContact CE2-CD1 3.86Å; F151-L175 HydrophobicContact CE2-CG 4.32Å; L154-L175 HydrophobicContact CB-CD1 3.69Å; L155-L175 HydrophobicContact CD2-CD1 3.85Å; L155-L175 HydrophobicContact CD2-CD2 4.06Å; L155-L175 HydrophobicContact CD2-CG 4.49Å; L155-L175 HydrophobicContact CG-CD1 3.93Å; L158-L175 HydrophobicContact CD2-CD2 3.85Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 PolarHBondContact O-N 2.97Å; H172-L175 PolarHBondContact O-N 3.23Å; L175-C178 PolarHBondContact O-N 2.8Å; L175-G179 WeakPolarHBondContact O-CA 3.28Å; L175-G179 PolarHBondContact O-N 2.8Å
176	A	94.9	Very high	89.9	Confident	68 Å²	68	52.6 Å²	52.6	56%	0.562	32%	0.32	S	S	*	.	H	α-helix	trans	-63.2	-43.3	177.1	0	0	0	0	0	111.7	H172 P173 L174 G179 A180	H172-A176 WeakPolarHBondContact O-CB 3.44Å; H172-A176 PolarHBondContact O-N 2.84Å; P173-A176 PolarHBondContact O-N 3.45Å; L174-A176 VanDerWaalsContact C-N 3.34Å; L174-A176 PolarHBondContact O-N 3.46Å; A176-G179 PolarHBondContact O-N 3.28Å; A176-A180 PolarHBondContact O-N 3.48Å
177	L	96.2	Very high	91.1	Very high	114 Å²	114	53 Å²	53	60%	0.597	33%	0.329	S	S	*	.	H	α-helix	trans	-60.7	-50.6	175	177.8	64.3	0	0	0	111.4	P173 L174 G179 A180 V181	P173-L177 PolarHBondContact O-N 3.46Å; L174-L177 PolarHBondContact O-N 2.93Å; L177-G179 VanDerWaalsContact C-N 3.29Å; L177-G179 PolarHBondContact O-N 3.47Å; L177-A180 PolarHBondContact O-N 3.29Å; L177-V181 WeakPolarHBondContact O-CG2 3.3Å; L177-V181 PolarHBondContact O-N 2.96Å; L177-V181 VanDerWaalsContact O-N 3.15Å
178	C	97	Very high	92.1	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-34.1	179.1	-62.1	0	0	0	0	111.7	G147 F151 L154 L174 L175 V181 S182	G147-C178 WeakPolarHBondContact O-CB 3.26Å; F151-C178 HydrophobicContact CB-CB 3.76Å; F151-C178 HydrophobicContact CD2-CB 4.45Å; L154-C178 HydrophobicContact CD1-CB 4.37Å; L174-C178 WeakPolarHBondContact O-CB 3.11Å; L174-C178 PolarHBondContact O-N 2.98Å; L174-C178 PolarHBondContact O-SG 2.86Å; L175-C178 PolarHBondContact O-N 2.8Å; C178-V181 WeakPolarHBondContact O-CB 3.42Å; C178-V181 PolarHBondContact O-N 3.32Å; C178-S182 WeakPolarHBondContact O-CB 3.26Å; C178-S182 PolarHBondContact O-N 3.46Å
179	G	96.6	Very high	93.2	Very high	9 Å²	9	50 Å²	50	9%	0.093	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-41.9	174.8	0	0	0	0	0	112.3	L175 A176 L177 V181 S182 L183	L175-G179 WeakPolarHBondContact O-CA 3.28Å; L175-G179 PolarHBondContact O-N 2.8Å; A176-G179 PolarHBondContact O-N 3.28Å; L177-G179 VanDerWaalsContact C-N 3.29Å; L177-G179 PolarHBondContact O-N 3.47Å; G179-V181 VanDerWaalsContact C-N 3.31Å; G179-V181 PolarHBondContact O-N 3.04Å; G179-S182 PolarHBondContact O-N 3.41Å; G179-L183 WeakPolarHBondContact O-CG 3.47Å; G179-L183 PolarHBondContact O-N 2.94Å
180	A	97.1	Very high	93.8	Very high	61 Å²	61	50.9 Å²	50.9	50%	0.504	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-41.1	172.5	0	0	0	0	0	111.8	A176 L177 L184	A176-A180 PolarHBondContact O-N 3.48Å; L177-A180 PolarHBondContact O-N 3.29Å; A180-L184 WeakPolarHBondContact O-CB 3.48Å; A180-L184 PolarHBondContact O-N 3.07Å
181	V	96.8	Very high	94.2	Very high	22 Å²	22	46.2 Å²	46.2	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-43.1	175.4	175.4	0	0	0	0	111.5	M144 L177 C178 G179 L184 K185	M144-V181 HydrophobicContact CE-CG1 4.41Å; M144-V181 HydrophobicContact SD-CG1 3.91Å; L177-V181 WeakPolarHBondContact O-CG2 3.3Å; L177-V181 PolarHBondContact O-N 2.96Å; L177-V181 VanDerWaalsContact O-N 3.15Å; C178-V181 WeakPolarHBondContact O-CB 3.42Å; C178-V181 PolarHBondContact O-N 3.32Å; G179-V181 VanDerWaalsContact C-N 3.31Å; G179-V181 PolarHBondContact O-N 3.04Å; V181-L184 PolarHBondContact O-N 2.84Å; V181-K185 WeakPolarHBondContact O-CB 3.49Å; V181-K185 PolarHBondContact O-N 2.84Å
182	S	96.6	Very high	94.2	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-43.1	178.3	-176.8	0	0	0	0	111.6	N148 C178 G179 L184 K185 A186	N148-S182 PolarHBondContact OD1-OG 3.27Å; C178-S182 WeakPolarHBondContact O-CB 3.26Å; C178-S182 PolarHBondContact O-N 3.46Å; G179-S182 PolarHBondContact O-N 3.41Å; S182-L184 PolarHBondContact O-N 3.31Å; S182-K185 PolarHBondContact O-N 2.92Å; S182-A186 WeakPolarHBondContact O-CB 3.48Å; S182-A186 PolarHBondContact O-N 3.25Å
183	L	96.1	Very high	94.2	Very high	132 Å²	132	44.7 Å²	44.7	69%	0.691	28%	0.277	S	S	*	.	H	α-helix	trans	-62.2	-42.9	173.9	-72.4	174.6	0	0	0	112.1	G179 A186 A187	G179-L183 WeakPolarHBondContact O-CG 3.47Å; G179-L183 PolarHBondContact O-N 2.94Å; L183-A186 PolarHBondContact O-N 3.4Å; L183-A187 PolarHBondContact O-N 3.14Å
184	L	95.5	Very high	94.1	Very high	87 Å²	87	44.2 Å²	44.2	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-43.2	176.2	179.5	58.8	0	0	0	111.2	M144 A180 V181 S182 A186 A187 I188	M144-L184 HydrophobicContact CE-CD2 3.63Å; M144-L184 HydrophobicContact CE-CG 4.47Å; M144-L184 HydrophobicContact SD-CB 4.49Å; M144-L184 HydrophobicContact SD-CD2 3.92Å; M144-L184 HydrophobicContact SD-CG 4.12Å; A180-L184 WeakPolarHBondContact O-CB 3.48Å; A180-L184 PolarHBondContact O-N 3.07Å; V181-L184 PolarHBondContact O-N 2.84Å; S182-L184 PolarHBondContact O-N 3.31Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 3.05Å; L184-A187 PolarHBondContact O-N 2.91Å; L184-I188 HydrophobicContact CD1-CD1 4.39Å; L184-I188 HydrophobicContact CG-CD1 4.17Å; L184-I188 VanDerWaalsContact O-CG1 3.31Å; L184-I188 WeakPolarHBondContact O-CG1 3.43Å; L184-I188 PolarHBondContact O-N 3.27Å
185	K	94.3	Very high	93.8	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-40.3	174.8	-174	-172.6	169.9	73.9	0	111.4	Y134 C145 N148 V181 S182 I188 S189	Y134-K185 PolarHBondContact OH-NZ 3.28Å; C145-K185 PolarHBondContact SG-NZ 3Å; N148-K185 HydrophobicContact CB-CD 3.47Å; N148-K185 VanDerWaalsContact CB-CD 3.47Å; V181-K185 WeakPolarHBondContact O-CB 3.49Å; V181-K185 PolarHBondContact O-N 2.84Å; S182-K185 PolarHBondContact O-N 2.92Å; K185-I188 PolarHBondContact O-N 3.41Å; K185-S189 WeakPolarHBondContact O-CB 3.23Å; K185-S189 PolarHBondContact O-N 3.42Å; K185-S189 PolarHBondContact O-OG 2.99Å
186	A	95.2	Very high	93.4	Very high	29 Å²	29	41.3 Å²	41.3	24%	0.24	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-45.4	174.9	0	0	0	0	0	111.2	L100 S182 L183 L184 I188 S189 V190	L100-A186 HydrophobicContact CD2-CB 4.31Å; L100-A186 WeakPolarHBondContact CD2-O 2.97Å; S182-A186 WeakPolarHBondContact O-CB 3.48Å; S182-A186 PolarHBondContact O-N 3.25Å; L183-A186 PolarHBondContact O-N 3.4Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 3.05Å; A186-I188 VanDerWaalsContact C-N 3.33Å; A186-I188 PolarHBondContact O-N 3.35Å; A186-S189 WeakPolarHBondContact O-CA 3.44Å; A186-S189 WeakPolarHBondContact O-CB 3.43Å; A186-S189 PolarHBondContact O-N 2.89Å; A186-V190 PolarHBondContact O-N 3.01Å
187	A	94.4	Very high	93.2	Very high	58 Å²	58	40.7 Å²	40.7	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-41.8	175.1	0	0	0	0	0	112.4	L183 L184 S189 V190 L191	L183-A187 PolarHBondContact O-N 3.14Å; L184-A187 PolarHBondContact O-N 2.91Å; A187-S189 VanDerWaalsContact C-N 3.3Å; A187-S189 PolarHBondContact O-N 2.92Å; A187-V190 PolarHBondContact O-N 3.3Å; A187-L191 PolarHBondContact O-N 3.3Å; A187-L191 VanDerWaalsContact O-N 3.07Å
188	I	91.8	Very high	92.9	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-39.7	173.1	-67.5	168.6	0	0	0	110.6	I130 L131 Y134 L184 K185 A186 V190 L191 H192	I130-I188 HydrophobicContact CG2-CG1 4.22Å; L131-I188 HydrophobicContact CD2-CG2 4.04Å; Y134-I188 HydrophobicContact CD1-CG2 4.15Å; Y134-I188 HydrophobicContact CD2-CD1 3.7Å; Y134-I188 HydrophobicContact CD2-CG2 4.02Å; Y134-I188 HydrophobicContact CE1-CG2 4.37Å; Y134-I188 HydrophobicContact CE2-CD1 4.07Å; Y134-I188 HydrophobicContact CE2-CG2 4.23Å; Y134-I188 HydrophobicContact CG-CD1 4.48Å; Y134-I188 HydrophobicContact CG-CG2 3.97Å; L184-I188 HydrophobicContact CD1-CD1 4.39Å; L184-I188 HydrophobicContact CG-CD1 4.17Å; L184-I188 VanDerWaalsContact O-CG1 3.31Å; L184-I188 WeakPolarHBondContact O-CG1 3.43Å; L184-I188 PolarHBondContact O-N 3.27Å; K185-I188 PolarHBondContact O-N 3.41Å; A186-I188 VanDerWaalsContact C-N 3.33Å; A186-I188 PolarHBondContact O-N 3.35Å; I188-V190 VanDerWaalsContact C-N 3.35Å; I188-V190 PolarHBondContact O-N 2.8Å; I188-L191 WeakPolarHBondContact O-CB 3.31Å; I188-L191 PolarHBondContact O-N 3.39Å; I188-H192 VanDerWaalsContact O-CB 3.24Å; I188-H192 WeakPolarHBondContact O-CB 3.39Å; I188-H192 PolarHBondContact O-N 3.25Å
189	S	92.7	Very high	92.3	Very high	9 Å²	9	41 Å²	41	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-35.4	178.5	-55	0	0	0	0	112.3	S104 K185 A186 A187 H192 L193	S104-S189 VanDerWaalsContact CB-O 3.27Å; S104-S189 WeakPolarHBondContact CB-O 3.48Å; K185-S189 WeakPolarHBondContact O-CB 3.23Å; K185-S189 PolarHBondContact O-N 3.42Å; K185-S189 PolarHBondContact O-OG 2.99Å; A186-S189 WeakPolarHBondContact O-CA 3.44Å; A186-S189 WeakPolarHBondContact O-CB 3.43Å; A186-S189 PolarHBondContact O-N 2.89Å; A187-S189 VanDerWaalsContact C-N 3.3Å; A187-S189 PolarHBondContact O-N 2.92Å; S189-H192 WeakPolarHBondContact O-CB 3.4Å; S189-H192 PolarHBondContact O-N 3.25Å; S189-L193 WeakPolarHBondContact O-CB 3.43Å; S189-L193 PolarHBondContact O-N 3.37Å
190	V	93.9	Very high	91.8	Very high	71 Å²	71	42 Å²	42	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-49.4	170.3	176.1	0	0	0	0	110.4	L100 A186 A187 I188 H192 L193 V194	L100-V190 HydrophobicContact CD1-CB 4.49Å; L100-V190 HydrophobicContact CD1-CG2 3.8Å; L100-V190 HydrophobicContact CD2-CG2 3.65Å; L100-V190 HydrophobicContact CG-CG2 4.38Å; A186-V190 PolarHBondContact O-N 3.01Å; A187-V190 PolarHBondContact O-N 3.3Å; I188-V190 VanDerWaalsContact C-N 3.35Å; I188-V190 PolarHBondContact O-N 2.8Å; V190-H192 PolarHBondContact O-N 2.9Å; V190-L193 WeakPolarHBondContact O-CB 3.45Å; V190-L193 PolarHBondContact O-N 2.81Å; V190-L193 VanDerWaalsContact O-N 3.17Å; V190-V194 HydrophobicContact CG1-CG2 4.49Å; V190-V194 WeakPolarHBondContact O-CG2 3.19Å; V190-V194 PolarHBondContact O-N 3.17Å
191	L	90.7	Very high	91.4	Very high	40 Å²	40	41.9 Å²	41.9	21%	0.209	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-41.7	178.3	177.5	64	0	0	0	111.1	N128 I130 L131 A187 I188 L193 V194 T195	N128-L191 VanDerWaalsContact ND2-CD1 3.28Å; N128-L191 WeakPolarHBondContact ND2-CD1 3.35Å; I130-L191 HydrophobicContact CB-CD2 3.99Å; I130-L191 HydrophobicContact CD1-CD2 4.45Å; I130-L191 HydrophobicContact CG2-CD2 4.1Å; L131-L191 HydrophobicContact CD1-CD2 4.34Å; L131-L191 HydrophobicContact CD1-CG 4.02Å; L131-L191 HydrophobicContact CD2-CD2 4.23Å; L131-L191 HydrophobicContact CD2-CG 4.31Å; L131-L191 HydrophobicContact CG-CD2 3.78Å; L131-L191 HydrophobicContact CG-CG 3.96Å; A187-L191 PolarHBondContact O-N 3.3Å; A187-L191 VanDerWaalsContact O-N 3.07Å; I188-L191 WeakPolarHBondContact O-CB 3.31Å; I188-L191 PolarHBondContact O-N 3.39Å; L191-L193 PolarHBondContact O-N 2.98Å; L191-V194 PolarHBondContact O-N 3.43Å; L191-T195 PolarHBondContact O-N 3.46Å; L191-T195 PolarHBondContact O-OG1 3.44Å
192	H	86.9	Confident	90.9	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.028	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-46	176.5	-160.6	107.3	0	0	0	111.7	H108 L131 Y135 I188 S189 V190 A196	H108-H192 WeakPolarHBondContact CB-NE2 3.38Å; H108-H192 AromaticContact CD2-CE1 3.72Å; H108-H192 AromaticContact CD2-NE2 3.29Å; H108-H192 PolarHBondContact CD2-NE2 3.1Å; H108-H192 VanDerWaalsContact CD2-NE2 3.29Å; H108-H192 AromaticContact CE1-CE1 3.75Å; H108-H192 AromaticContact CE1-NE2 3.58Å; H108-H192 AromaticContact CG-CD2 3.86Å; H108-H192 AromaticContact CG-CE1 3.67Å; H108-H192 AromaticContact CG-NE2 2.84Å; H108-H192 AromaticContact ND1-CE1 3.69Å; H108-H192 AromaticContact ND1-NE2 3.05Å; H108-H192 PolarHBondContact ND1-NE2 3.17Å; H108-H192 AromaticContact NE2-CE1 3.78Å; H108-H192 AromaticContact NE2-NE2 3.73Å; L131-H192 HydrophobicContact CD2-CB 4.03Å; Y135-H192 AromaticContact CE2-CE1 3.27Å; Y135-H192 WeakPolarHBondContact CE2-CE1 3.36Å; Y135-H192 AromaticContact CE2-ND1 3.34Å; Y135-H192 VanDerWaalsContact CE2-ND1 3.34Å; Y135-H192 WeakPolarHBondContact CE2-ND1 3.43Å; Y135-H192 AromaticContact CZ-CE1 3.31Å; Y135-H192 AromaticContact CZ-ND1 3.58Å; Y135-H192 PolarHBondContact OH-CE1 3.14Å; Y135-H192 PolarHBondContact OH-ND1 3.24Å; I188-H192 VanDerWaalsContact O-CB 3.24Å; I188-H192 WeakPolarHBondContact O-CB 3.39Å; I188-H192 PolarHBondContact O-N 3.25Å; S189-H192 WeakPolarHBondContact O-CB 3.4Å; S189-H192 PolarHBondContact O-N 3.25Å; V190-H192 PolarHBondContact O-N 2.9Å; H192-A196 WeakPolarHBondContact O-CB 3.35Å; H192-A196 PolarHBondContact O-N 2.76Å
193	L	90.7	Very high	90.3	Very high	48 Å²	48	43.6 Å²	43.6	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-44.9	176.1	-179.3	65	0	0	0	112.1	L100 A103 L107 S189 V190 L191 A196 S197	L100-L193 HydrophobicContact CD1-CD2 4.26Å; A103-L193 HydrophobicContact CB-CD1 4.31Å; L107-L193 HydrophobicContact CB-CD1 4.3Å; L107-L193 HydrophobicContact CD2-CD1 3.8Å; S189-L193 WeakPolarHBondContact O-CB 3.43Å; S189-L193 PolarHBondContact O-N 3.37Å; V190-L193 WeakPolarHBondContact O-CB 3.45Å; V190-L193 PolarHBondContact O-N 2.81Å; V190-L193 VanDerWaalsContact O-N 3.17Å; L191-L193 PolarHBondContact O-N 2.98Å; L193-A196 PolarHBondContact O-N 3.29Å; L193-S197 WeakPolarHBondContact O-CB 3.49Å; L193-S197 PolarHBondContact O-N 3.33Å; L193-S197 PolarHBondContact O-OG 2.91Å
194	V	91	Very high	89.9	Confident	68 Å²	68	42 Å²	42	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-49.5	178.6	171.9	0	0	0	0	110.6	V190 L191 A196 S197 Q198	V190-V194 HydrophobicContact CG1-CG2 4.49Å; V190-V194 WeakPolarHBondContact O-CG2 3.19Å; V190-V194 PolarHBondContact O-N 3.17Å; L191-V194 PolarHBondContact O-N 3.43Å; V194-A196 PolarHBondContact O-N 2.9Å; V194-S197 WeakPolarHBondContact O-CB 3.45Å; V194-S197 PolarHBondContact O-N 3.5Å; V194-Q198 WeakPolarHBondContact O-CG 3.39Å; V194-Q198 PolarHBondContact O-N 3.45Å
195	T	87	Confident	89.6	Confident	14 Å²	14	40.7 Å²	40.7	9%	0.086	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-41.8	179.1	-60.8	0	0	0	0	111.6	L125 L131 L191 S197 Q198 N199	L125-T195 HydrophobicContact CB-CG2 4.43Å; L125-T195 VanDerWaalsContact O-CG2 3.31Å; L125-T195 WeakPolarHBondContact O-CG2 3.4Å; L131-T195 HydrophobicContact CD1-CG2 4.06Å; L131-T195 WeakPolarHBondContact CD1-OG1 3.44Å; L191-T195 PolarHBondContact O-N 3.46Å; L191-T195 PolarHBondContact O-OG1 3.44Å; T195-S197 VanDerWaalsContact C-N 3.32Å; T195-S197 PolarHBondContact O-N 3.29Å; T195-Q198 PolarHBondContact O-N 3.23Å; T195-N199 PolarHBondContact O-N 3.15Å; T195-N199 PolarHBondContact O-ND2 3.37Å; T195-N199 PolarHBondContact O-OD1 3Å
196	A	86.7	Confident	89.2	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-38.2	175.6	0	0	0	0	0	112.2	L107 H108 H192 L193 V194 N199 M200	L107-A196 HydrophobicContact CB-CB 4.24Å; L107-A196 HydrophobicContact CD2-CB 4.06Å; L107-A196 HydrophobicContact CG-CB 3.87Å; H108-A196 HydrophobicContact CB-CB 4.31Å; H192-A196 WeakPolarHBondContact O-CB 3.35Å; H192-A196 PolarHBondContact O-N 2.76Å; L193-A196 PolarHBondContact O-N 3.29Å; V194-A196 PolarHBondContact O-N 2.9Å; A196-N199 WeakPolarHBondContact O-CB 3.22Å; A196-N199 PolarHBondContact O-N 3.28Å; A196-M200 WeakPolarHBondContact O-CG 3.42Å; A196-M200 PolarHBondContact O-N 3.12Å; A196-M200 VanDerWaalsContact O-N 3.12Å
197	S	90.3	Very high	88.8	Confident	54 Å²	54	44.8 Å²	44.8	38%	0.378	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-43.9	175.8	-56.3	0	0	0	0	112	L107 L193 V194 T195 N199 M200 A201	L107-S197 WeakPolarHBondContact CD2-OG 3.37Å; L193-S197 WeakPolarHBondContact O-CB 3.49Å; L193-S197 PolarHBondContact O-N 3.33Å; L193-S197 PolarHBondContact O-OG 2.91Å; V194-S197 WeakPolarHBondContact O-CB 3.45Å; V194-S197 PolarHBondContact O-N 3.5Å; T195-S197 VanDerWaalsContact C-N 3.32Å; T195-S197 PolarHBondContact O-N 3.29Å; S197-N199 VanDerWaalsContact C-N 3.31Å; S197-N199 PolarHBondContact O-N 2.98Å; S197-M200 PolarHBondContact O-N 3.12Å; S197-A201 PolarHBondContact O-N 2.8Å
198	Q	88.9	Confident	88.6	Confident	98 Å²	98	50.5 Å²	50.5	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-39.2	176.1	-71.4	172.7	-24.3	0	0	111.8	V194 T195 A201 A202	V194-Q198 WeakPolarHBondContact O-CG 3.39Å; V194-Q198 PolarHBondContact O-N 3.45Å; T195-Q198 PolarHBondContact O-N 3.23Å; Q198-A201 PolarHBondContact O-N 3.16Å; Q198-A202 WeakPolarHBondContact O-CB 3.31Å; Q198-A202 PolarHBondContact O-N 3.46Å
199	N	84.2	Confident	88.5	Confident	29 Å²	29	53 Å²	53	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-46.8	176	-66.6	-13.7	0	0	0	111.8	L125 T195 A196 S197 A202 L203	L125-N199 WeakPolarHBondContact CB-OD1 3.49Å; L125-N199 WeakPolarHBondContact CD1-OD1 3.49Å; T195-N199 PolarHBondContact O-N 3.15Å; T195-N199 PolarHBondContact O-ND2 3.37Å; T195-N199 PolarHBondContact O-OD1 3Å; A196-N199 WeakPolarHBondContact O-CB 3.22Å; A196-N199 PolarHBondContact O-N 3.28Å; S197-N199 VanDerWaalsContact C-N 3.31Å; S197-N199 PolarHBondContact O-N 2.98Å; N199-A202 PolarHBondContact O-N 3.42Å; N199-L203 WeakPolarHBondContact O-CG 3.44Å; N199-L203 PolarHBondContact O-N 2.96Å
200	M	86.6	Confident	88.2	Confident	31 Å²	31	59.7 Å²	59.7	15%	0.153	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-47.7	178.4	-70.3	-58	-59.6	0	0	111.4	L107 S111 A196 S197 A202 L203 D204	L107-M200 HydrophobicContact CD1-CG 4Å; S111-M200 VanDerWaalsContact CA-SD 3.59Å; A196-M200 WeakPolarHBondContact O-CG 3.42Å; A196-M200 PolarHBondContact O-N 3.12Å; A196-M200 VanDerWaalsContact O-N 3.12Å; S197-M200 PolarHBondContact O-N 3.12Å; M200-A202 VanDerWaalsContact C-N 3.28Å; M200-A202 PolarHBondContact O-N 3.44Å; M200-L203 WeakPolarHBondContact O-CB 3.17Å; M200-L203 PolarHBondContact O-N 3.44Å; M200-L203 VanDerWaalsContact O-N 3.12Å; M200-L203 HydrophobicContact SD-CD1 4.28Å; M200-D204 PolarHBondContact O-N 3.27Å
201	A	88.8	Confident	87.6	Confident	58 Å²	58	65.9 Å²	65.9	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-37.3	177.8	0	0	0	0	0	112.7	S197 Q198 D204 A205	S197-A201 PolarHBondContact O-N 2.8Å; Q198-A201 PolarHBondContact O-N 3.16Å; A201-D204 PolarHBondContact O-N 3.05Å; A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 3.01Å
202	A	86.4	Confident	86.6	Confident	28 Å²	28	72.8 Å²	72.8	23%	0.231	39%	0.387	C	S	.	.	H	α-helix	trans	-67.5	-37.9	176.1	0	0	0	0	0	112.4	I123 Q198 N199 M200 A206	I123-A202 HydrophobicContact CD1-CB 4.3Å; I123-A202 HydrophobicContact CG2-CB 4.48Å; Q198-A202 WeakPolarHBondContact O-CB 3.31Å; Q198-A202 PolarHBondContact O-N 3.46Å; N199-A202 PolarHBondContact O-N 3.42Å; M200-A202 VanDerWaalsContact C-N 3.28Å; M200-A202 PolarHBondContact O-N 3.44Å; A202-A206 WeakPolarHBondContact O-CB 3.25Å; A202-A206 PolarHBondContact O-N 3.33Å
203	L	84.1	Confident	86.6	Confident	37 Å²	37	76.2 Å²	76.2	19%	0.194	41%	0.405	C	S	.	.	H	α-helix	trans	-62.8	-48.8	173.5	-71.6	168	0	0	0	110.8	V114 N199 M200 A205 A206 E207	V114-L203 HydrophobicContact CG1-CD1 4.12Å; N199-L203 WeakPolarHBondContact O-CG 3.44Å; N199-L203 PolarHBondContact O-N 2.96Å; M200-L203 WeakPolarHBondContact O-CB 3.17Å; M200-L203 PolarHBondContact O-N 3.44Å; M200-L203 VanDerWaalsContact O-N 3.12Å; M200-L203 HydrophobicContact SD-CD1 4.28Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 2.9Å; L203-A206 PolarHBondContact O-N 3.32Å; L203-A206 VanDerWaalsContact O-N 3.13Å; L203-E207 WeakPolarHBondContact O-CG 3.33Å; L203-E207 PolarHBondContact O-N 3.36Å
204	D	87.8	Confident	86.3	Confident	97 Å²	97	77.6 Å²	77.6	52%	0.519	41%	0.413	S	S	.	.	H	α-helix	trans	-59.2	-44.2	178.4	-70.3	-21.4	0	0	0	111.9	M200 A201 A206 E207 R208	M200-D204 PolarHBondContact O-N 3.27Å; A201-D204 PolarHBondContact O-N 3.05Å; D204-A206 VanDerWaalsContact C-N 3.34Å; D204-A206 PolarHBondContact O-N 3.41Å; D204-E207 PolarHBondContact O-N 2.82Å; D204-R208 WeakPolarHBondContact O-CB 3.44Å; D204-R208 PolarHBondContact O-N 3.26Å
205	A	88.7	Confident	86.1	Confident	60 Å²	60	78.2 Å²	78.2	50%	0.496	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-42.5	176.3	0	0	0	0	0	111.9	A201 L203 R208 A209	A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 3.01Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 2.9Å; A205-R208 PolarHBondContact O-N 3.18Å; A205-A209 WeakPolarHBondContact O-CB 3.16Å; A205-A209 PolarHBondContact O-N 3.04Å
206	A	86.6	Confident	86	Confident	34 Å²	34	81.9 Å²	81.9	28%	0.281	43%	0.432	S	S	.	.	H	α-helix	trans	-68.4	-37.4	178.8	0	0	0	0	0	112.6	A202 L203 D204 K210	A202-A206 WeakPolarHBondContact O-CB 3.25Å; A202-A206 PolarHBondContact O-N 3.33Å; L203-A206 PolarHBondContact O-N 3.32Å; L203-A206 VanDerWaalsContact O-N 3.13Å; D204-A206 VanDerWaalsContact C-N 3.34Å; D204-A206 PolarHBondContact O-N 3.41Å; A206-K210 PolarHBondContact O-N 3.02Å
207	E	87.3	Confident	86	Confident	86 Å²	86	87 Å²	87	40%	0.402	46%	0.459	S	S	.	.	H	α-helix	trans	-67.8	-42.6	174.2	-73.7	-170.6	-175.7	0	0	111.8	L203 D204 A209 K210 R211	L203-E207 WeakPolarHBondContact O-CG 3.33Å; L203-E207 PolarHBondContact O-N 3.36Å; D204-E207 PolarHBondContact O-N 2.82Å; E207-A209 VanDerWaalsContact C-N 3.31Å; E207-A209 PolarHBondContact O-N 3.48Å; E207-K210 PolarHBondContact O-N 3.18Å; E207-K210 VanDerWaalsContact O-N 3.15Å; E207-R211 PolarHBondContact O-N 3.23Å; E207-R211 IonicContact OE2-NH2 3.8Å
208	R	88.8	Confident	85.7	Confident	178 Å²	178	89.2 Å²	89.2	67%	0.672	46%	0.464	S	S	*	.	H	α-helix	trans	-61	-40.9	176.3	-172.5	173.7	-177.2	-120.7	-0.1	111.8	D204 A205 K210 R211 L212	D204-R208 WeakPolarHBondContact O-CB 3.44Å; D204-R208 PolarHBondContact O-N 3.26Å; A205-R208 PolarHBondContact O-N 3.18Å; R208-K210 PolarHBondContact O-N 3.16Å; R208-R211 PolarHBondContact O-N 2.95Å; R208-R211 VanDerWaalsContact O-N 3.1Å; R208-L212 PolarHBondContact O-N 2.98Å
209	A	90.7	Very high	85.5	Confident	65 Å²	65	88.6 Å²	88.6	54%	0.537	46%	0.464	S	S	.	.	H	α-helix	trans	-65.3	-22.6	177.2	0	0	0	0	0	114	A205 E207	A205-A209 WeakPolarHBondContact O-CB 3.16Å; A205-A209 PolarHBondContact O-N 3.04Å; E207-A209 VanDerWaalsContact C-N 3.31Å; E207-A209 PolarHBondContact O-N 3.48Å
210	K	86	Confident	85.6	Confident	150 Å²	150	93.2 Å²	93.2	65%	0.652	49%	0.488	S	S	*	.	H	α-helix	trans	-80.8	-17.1	173.7	-69	175	-177.1	175.9	0	113.3	A206 E207 R208	A206-K210 PolarHBondContact O-N 3.02Å; E207-K210 PolarHBondContact O-N 3.18Å; E207-K210 VanDerWaalsContact O-N 3.15Å; R208-K210 PolarHBondContact O-N 3.16Å
211	R	80.7	Confident	85.5	Confident	202 Å²	202	98.3 Å²	98.3	76%	0.762	52%	0.516	S	S	*	.	H	α-helix	trans	-93.9	-16.7	-177.6	-65.2	179.8	-171	175.8	7.4	112.9	E207 R208	E207-R211 PolarHBondContact O-N 3.23Å; E207-R211 IonicContact OE2-NH2 3.8Å; R208-R211 PolarHBondContact O-N 2.95Å; R208-R211 VanDerWaalsContact O-N 3.1Å
212	L	69.9	Low	85.2	Confident	185 Å²	185	102 Å²	102	97%	0.969	52%	0.519	S	S	*	.			trans	-92.4	0	173.2	-66.1	172	0	0	0	109.3	R208	R208-L212 PolarHBondContact O-N 2.98Å

Retrieved 212 of 212 residues in 128.9 ms (Link to these results)

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