Q99P15_RAT Loading...

Adenosine receptor A3

Receptor for adenosine. The activity of this receptor is mediated by G proteins which inhibit adenylyl cyclase.

AlphaFold DB , UniProt , Accession Q99P15, Species RAT (Rattus norvegicus, Rat), Gene Adora3, Length 107 aa.

						>Q99P15_RAT|Q99P15|Adora3
CHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSH
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	C	46.8	Very low	49.8	Very low	186 Å²	186	113.9 Å²	113.9	100%	1.257	62%	0.619	S	S	*	*				0	70.4	0	-65.9	0	0	0	0	111.8
2	H	44	Very low	50.9	Low	169 Å²	169	115.3 Å²	115.3	78%	0.782	62%	0.621	S	S	*	*			trans	-137.8	12.7	178.2	-132.7	-75.2	0	0	0	113.7
3	F	44.8	Very low	52.1	Low	180 Å²	180	114 Å²	114	79%	0.789	62%	0.619	S	S	*	*	S	Bend	trans	-106.2	-12.7	-172.5	-127.2	-92.2	0	0	0	114.1	V7	F3-V7 HydrophobicContact CD1-CG2 4.49Å; F3-V7 WeakPolarHBondContact O-CG2 3.14Å
4	R	42.9	Very low	53.3	Low	136 Å²	136	110.5 Å²	110.5	51%	0.513	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.3	-12.9	-175.9	-167.6	138	173.4	174.5	0.4	114.3	Y89	R4-Y89 PolarHBondContact NH2-OH 2.76Å
5	S	41.7	Very low	54.4	Low	97 Å²	97	111.1 Å²	111.1	68%	0.678	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-19.6	-176.2	-164.2	0	0	0	0	114.1
6	V	48.2	Very low	55.7	Low	87 Å²	87	108.4 Å²	108.4	53%	0.527	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-57.1	179.1	-155.2	0	0	0	0	107.2	G8 L9	V6-G8 PolarHBondContact O-N 3.42Å; V6-L9 PolarHBondContact O-N 3.29Å
7	V	52.3	Low	56.8	Low	62 Å²	62	109.8 Å²	109.8	38%	0.376	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.2	-14.6	179.9	-164.8	0	0	0	0	114.7	F3 Y11	F3-V7 HydrophobicContact CD1-CG2 4.49Å; F3-V7 WeakPolarHBondContact O-CG2 3.14Å; V7-Y11 WeakPolarHBondContact O-CB 3.27Å
8	G	55.2	Low	57.6	Low	45 Å²	45	105.4 Å²	105.4	46%	0.464	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.2	-20.7	-179.1	0	0	0	0	0	115.5	V6	V6-G8 PolarHBondContact O-N 3.42Å
9	L	53.3	Low	58.4	Low	128 Å²	128	102.4 Å²	102.4	67%	0.67	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-42.4	-177.1	-81	162.8	0	0	0	112.1	V6 M12 V13	V6-L9 PolarHBondContact O-N 3.29Å; L9-M12 PolarHBondContact O-N 3.2Å; L9-V13 WeakPolarHBondContact O-CG2 3.45Å; L9-V13 PolarHBondContact O-N 2.9Å
10	D	58.3	Low	59.3	Low	80 Å²	80	107.4 Å²	107.4	43%	0.428	56%	0.557	S	S	.	*	H	α-helix	trans	-63.6	-42.2	175.3	54.9	-112.1	0	0	0	111.5	M12 V13 F14	D10-M12 PolarHBondContact O-N 3.43Å; D10-V13 PolarHBondContact O-N 2.78Å; D10-F14 VanDerWaalsContact O-CB 3.31Å; D10-F14 WeakPolarHBondContact O-CB 3.35Å; D10-F14 PolarHBondContact O-N 3.4Å
11	Y	60.2	Low	60.2	Low	83 Å²	83	104.1 Å²	104.1	33%	0.325	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-39.9	177.7	-173.1	-93.5	0	0	0	113.3	V7 F14 F15	V7-Y11 WeakPolarHBondContact O-CB 3.27Å; Y11-F14 PolarHBondContact O-N 3.38Å; Y11-F15 VanDerWaalsContact O-CB 3.25Å; Y11-F15 WeakPolarHBondContact O-CB 3.21Å; Y11-F15 PolarHBondContact O-N 3.48Å
12	M	62.8	Low	61.6	Low	130 Å²	130	98.9 Å²	98.9	64%	0.64	50%	0.499	S	S	*	.	H	α-helix	trans	-68.2	-39.6	179.9	-126.2	178.5	89.3	0	0	111.5	L9 D10 S16	L9-M12 PolarHBondContact O-N 3.2Å; D10-M12 PolarHBondContact O-N 3.43Å; M12-S16 WeakPolarHBondContact O-CB 3.45Å; M12-S16 PolarHBondContact O-N 2.86Å; M12-S16 PolarHBondContact O-OG 2.83Å
13	V	67.3	Low	63.4	Low	99 Å²	99	95.2 Å²	95.2	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-69.9	-41.2	175.1	176	0	0	0	0	110.6	L9 D10 S16 F17	L9-V13 WeakPolarHBondContact O-CG2 3.45Å; L9-V13 PolarHBondContact O-N 2.9Å; D10-V13 PolarHBondContact O-N 2.78Å; V13-S16 PolarHBondContact O-N 2.85Å; V13-F17 WeakPolarHBondContact O-CB 3.5Å; V13-F17 PolarHBondContact O-N 3.24Å
14	F	68.3	Low	65.1	Low	65 Å²	65	89.6 Å²	89.6	29%	0.285	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-43.3	177	-134.3	-83.8	0	0	0	111.9	D10 Y11 F17 I18 F74 W78	D10-F14 VanDerWaalsContact O-CB 3.31Å; D10-F14 WeakPolarHBondContact O-CB 3.35Å; D10-F14 PolarHBondContact O-N 3.4Å; Y11-F14 PolarHBondContact O-N 3.38Å; F14-F17 PolarHBondContact O-N 3.21Å; F14-I18 HydrophobicContact CD1-CD1 3.59Å; F14-I18 HydrophobicContact CD1-CG1 4.03Å; F14-I18 HydrophobicContact CE1-CD1 4.02Å; F14-I18 HydrophobicContact CE1-CG1 4.38Å; F14-I18 WeakPolarHBondContact O-CB 3.24Å; F14-I18 VanDerWaalsContact O-CG1 3.25Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 3.44Å; F14-F74 AromaticContact CE1-CE1 3.7Å; F14-F74 HydrophobicContact CE1-CE1 3.7Å; F14-F74 AromaticContact CE1-CZ 3.67Å; F14-F74 HydrophobicContact CE1-CZ 3.67Å; F14-F74 HydrophobicContact CZ-CE1 4.19Å; F14-F74 AromaticContact CZ-CZ 3.69Å; F14-F74 HydrophobicContact CZ-CZ 3.69Å; F14-W78 HydrophobicContact CD1-CD2 4.07Å; F14-W78 AromaticContact CD1-CE2 3.38Å; F14-W78 HydrophobicContact CD1-CH2 4.31Å; F14-W78 AromaticContact CD1-CZ2 3.54Å; F14-W78 HydrophobicContact CD1-CZ2 3.54Å; F14-W78 AromaticContact CD1-NE1 3.4Å; F14-W78 HydrophobicContact CD2-CZ2 4.03Å; F14-W78 AromaticContact CE1-CD2 3.51Å; F14-W78 HydrophobicContact CE1-CD2 3.51Å; F14-W78 AromaticContact CE1-CE2 3.12Å; F14-W78 AromaticContact CE1-CE3 3.79Å; F14-W78 HydrophobicContact CE1-CE3 3.79Å; F14-W78 HydrophobicContact CE1-CG 4.26Å; F14-W78 AromaticContact CE1-CH2 3.45Å; F14-W78 HydrophobicContact CE1-CH2 3.45Å; F14-W78 VanDerWaalsContact CE1-CH2 3.45Å; F14-W78 AromaticContact CE1-CZ2 3.12Å; F14-W78 HydrophobicContact CE1-CZ2 3.12Å; F14-W78 AromaticContact CE1-CZ3 3.76Å; F14-W78 HydrophobicContact CE1-CZ3 3.76Å; F14-W78 AromaticContact CE1-NE1 3.65Å; F14-W78 AromaticContact CE2-CH2 3.75Å; F14-W78 HydrophobicContact CE2-CH2 3.75Å; F14-W78 AromaticContact CE2-CZ2 3.66Å; F14-W78 HydrophobicContact CE2-CZ2 3.66Å; F14-W78 AromaticContact CG-CZ2 3.97Å; F14-W78 HydrophobicContact CG-CZ2 3.97Å; F14-W78 HydrophobicContact CZ-CD2 4.22Å; F14-W78 AromaticContact CZ-CE2 3.73Å; F14-W78 HydrophobicContact CZ-CE3 4.14Å; F14-W78 AromaticContact CZ-CH2 3.1Å; F14-W78 HydrophobicContact CZ-CH2 3.1Å; F14-W78 AromaticContact CZ-CZ2 3.18Å; F14-W78 HydrophobicContact CZ-CZ2 3.18Å; F14-W78 AromaticContact CZ-CZ3 3.61Å; F14-W78 HydrophobicContact CZ-CZ3 3.61Å
15	F	70.3	Confident	67	Low	119 Å²	119	84.2 Å²	84.2	52%	0.522	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-46.8	173.5	-175.8	-96.5	0	0	0	110.7	Y11 F17 I18 T19	Y11-F15 VanDerWaalsContact O-CB 3.25Å; Y11-F15 WeakPolarHBondContact O-CB 3.21Å; Y11-F15 PolarHBondContact O-N 3.48Å; F15-F17 VanDerWaalsContact C-N 3.3Å; F15-F17 PolarHBondContact O-N 2.72Å; F15-I18 PolarHBondContact O-N 3.33Å; F15-T19 WeakPolarHBondContact O-CB 3.49Å; F15-T19 PolarHBondContact O-N 3.36Å; F15-T19 PolarHBondContact O-OG1 3.25Å
16	S	74.5	Confident	68.9	Low	69 Å²	69	82.9 Å²	82.9	48%	0.483	43%	0.434	S	S	.	.	H	α-helix	trans	-59.7	-41.3	176.5	-58.5	0	0	0	0	112	M12 V13 T19 W20	M12-S16 WeakPolarHBondContact O-CB 3.45Å; M12-S16 PolarHBondContact O-N 2.86Å; M12-S16 PolarHBondContact O-OG 2.83Å; V13-S16 PolarHBondContact O-N 2.85Å; S16-T19 PolarHBondContact O-N 3.4Å; S16-W20 VanDerWaalsContact O-CB 3.29Å; S16-W20 WeakPolarHBondContact O-CB 3.29Å; S16-W20 PolarHBondContact O-N 3.29Å
17	F	74	Confident	70.7	Confident	132 Å²	132	82 Å²	82	58%	0.579	43%	0.429	S	S	*	.	H	α-helix	trans	-68.6	-41.9	178.4	-157	-99.4	0	0	0	111.9	V13 F14 F15 W20 I21	V13-F17 WeakPolarHBondContact O-CB 3.5Å; V13-F17 PolarHBondContact O-N 3.24Å; F14-F17 PolarHBondContact O-N 3.21Å; F15-F17 VanDerWaalsContact C-N 3.3Å; F15-F17 PolarHBondContact O-N 2.72Å; F17-W20 PolarHBondContact O-N 2.94Å; F17-I21 HydrophobicContact CD1-CD1 3.53Å; F17-I21 HydrophobicContact CE1-CD1 3.48Å; F17-I21 VanDerWaalsContact CE1-CD1 3.48Å; F17-I21 HydrophobicContact CZ-CD1 4.45Å; F17-I21 WeakPolarHBondContact O-CB 3.26Å; F17-I21 WeakPolarHBondContact O-CG1 2.92Å; F17-I21 PolarHBondContact O-N 2.75Å
18	I	71	Confident	72	Confident	30 Å²	30	84.3 Å²	84.3	15%	0.154	44%	0.437	C	S	.	.	H	α-helix	trans	-63.9	-47.2	173.6	-72.6	172.9	0	0	0	110.2	F14 F15 W20 I21 L22 W78	F14-I18 HydrophobicContact CD1-CD1 3.59Å; F14-I18 HydrophobicContact CD1-CG1 4.03Å; F14-I18 HydrophobicContact CE1-CD1 4.02Å; F14-I18 HydrophobicContact CE1-CG1 4.38Å; F14-I18 WeakPolarHBondContact O-CB 3.24Å; F14-I18 VanDerWaalsContact O-CG1 3.25Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 3.44Å; F15-I18 PolarHBondContact O-N 3.33Å; I18-W20 VanDerWaalsContact C-N 3.3Å; I18-W20 PolarHBondContact O-N 3.39Å; I18-I21 CarbonylContact O-C 3.51Å; I18-I21 WeakPolarHBondContact O-CB 3.34Å; I18-I21 PolarHBondContact O-N 3.46Å; I18-I21 VanDerWaalsContact O-N 3.1Å; I18-L22 WeakPolarHBondContact O-CB 3.1Å; I18-L22 PolarHBondContact O-N 2.83Å; I18-W78 HydrophobicContact CD1-CB 4.21Å; I18-W78 HydrophobicContact CD1-CG 3.82Å
19	T	73.8	Confident	73.2	Confident	49 Å²	49	85 Å²	85	30%	0.301	44%	0.435	S	S	.	.	H	α-helix	trans	-59.8	-43	177.2	-60.8	0	0	0	0	110.6	F15 S16 I21 L22 I23	F15-T19 WeakPolarHBondContact O-CB 3.49Å; F15-T19 PolarHBondContact O-N 3.36Å; F15-T19 PolarHBondContact O-OG1 3.25Å; S16-T19 PolarHBondContact O-N 3.4Å; T19-I21 VanDerWaalsContact C-N 3.26Å; T19-I21 PolarHBondContact O-N 3.48Å; T19-L22 PolarHBondContact O-N 3.1Å; T19-I23 HydrophobicContact CG2-CD1 3.99Å; T19-I23 HydrophobicContact CG2-CG1 4.38Å; T19-I23 WeakPolarHBondContact O-CD1 3.46Å; T19-I23 WeakPolarHBondContact O-CG1 3.49Å; T19-I23 PolarHBondContact O-N 2.79Å
20	W	76.3	Confident	74.7	Confident	201 Å²	201	84 Å²	84	76%	0.761	43%	0.428	S	S	*	.	H	α-helix	trans	-63.2	-31.9	176	-161.9	-87.3	0	0	0	113.1	S16 F17 I18 P24	S16-W20 VanDerWaalsContact O-CB 3.29Å; S16-W20 WeakPolarHBondContact O-CB 3.29Å; S16-W20 PolarHBondContact O-N 3.29Å; F17-W20 PolarHBondContact O-N 2.94Å; I18-W20 VanDerWaalsContact C-N 3.3Å; I18-W20 PolarHBondContact O-N 3.39Å; W20-P24 WeakPolarHBondContact O-CD 3.29Å; W20-P24 WeakPolarHBondContact O-CG 3.42Å
21	I	77.8	Confident	76	Confident	40 Å²	40	83.2 Å²	83.2	21%	0.205	42%	0.424	C	S	.	.	H	α-helix	trans	-79.5	-33.9	173.8	-77.5	169.7	0	0	0	112.2	F17 I18 T19 P24 L71	F17-I21 HydrophobicContact CD1-CD1 3.53Å; F17-I21 HydrophobicContact CE1-CD1 3.48Å; F17-I21 VanDerWaalsContact CE1-CD1 3.48Å; F17-I21 HydrophobicContact CZ-CD1 4.45Å; F17-I21 WeakPolarHBondContact O-CB 3.26Å; F17-I21 WeakPolarHBondContact O-CG1 2.92Å; F17-I21 PolarHBondContact O-N 2.75Å; I18-I21 CarbonylContact O-C 3.51Å; I18-I21 WeakPolarHBondContact O-CB 3.34Å; I18-I21 PolarHBondContact O-N 3.46Å; I18-I21 VanDerWaalsContact O-N 3.1Å; T19-I21 VanDerWaalsContact C-N 3.26Å; T19-I21 PolarHBondContact O-N 3.48Å; I21-P24 WeakPolarHBondContact O-CD 3.34Å; I21-P24 VanDerWaalsContact O-CG 3.31Å; I21-P24 WeakPolarHBondContact O-CG 3.43Å; I21-L71 HydrophobicContact CD1-CD2 4.27Å; I21-L71 HydrophobicContact CG2-CB 4Å; I21-L71 HydrophobicContact CG2-CD1 4.05Å; I21-L71 HydrophobicContact CG2-CD2 3.58Å; I21-L71 HydrophobicContact CG2-CG 4.04Å
22	L	76.9	Confident	76.8	Confident	76 Å²	76	85.1 Å²	85.1	40%	0.398	43%	0.431	S	S	.	.	H	α-helix	trans	-74.7	-35.9	-177.4	-163.8	80.6	0	0	0	111.1	I18 T19 L25 V26	I18-L22 WeakPolarHBondContact O-CB 3.1Å; I18-L22 PolarHBondContact O-N 2.83Å; T19-L22 PolarHBondContact O-N 3.1Å; L22-L25 HydrophobicContact CD1-CD2 4.37Å; L22-L25 WeakPolarHBondContact O-CA 3.35Å; L22-L25 VanDerWaalsContact O-CB 3.31Å; L22-L25 WeakPolarHBondContact O-CB 3.27Å; L22-L25 PolarHBondContact O-N 2.94Å; L22-L25 VanDerWaalsContact O-N 3.16Å; L22-V26 HydrophobicContact CG-CG2 4.36Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.24Å
23	I	80.6	Confident	77.7	Confident	92 Å²	92	84.6 Å²	84.6	47%	0.472	43%	0.43	S	S	.	.	H	α-helix	trans	-53.1	-57.4	176	-72.5	161	0	0	0	112.1	T19 L25 V26 V27	T19-I23 HydrophobicContact CG2-CD1 3.99Å; T19-I23 HydrophobicContact CG2-CG1 4.38Å; T19-I23 WeakPolarHBondContact O-CD1 3.46Å; T19-I23 WeakPolarHBondContact O-CG1 3.49Å; T19-I23 PolarHBondContact O-N 2.79Å; I23-L25 PolarHBondContact O-N 3.33Å; I23-V26 PolarHBondContact O-N 3.37Å; I23-V27 WeakPolarHBondContact O-CG2 3.41Å; I23-V27 PolarHBondContact O-N 2.99Å
24	P	80.5	Confident	78.5	Confident	61 Å²	61	84.1 Å²	84.1	40%	0.396	42%	0.424	S	S	.	.	H	α-helix	trans	-63.5	-31.1	178.4	20.3	-28.3	0	0	0	111.9	W20 I21 V27 M28	W20-P24 WeakPolarHBondContact O-CD 3.29Å; W20-P24 WeakPolarHBondContact O-CG 3.42Å; I21-P24 WeakPolarHBondContact O-CD 3.34Å; I21-P24 VanDerWaalsContact O-CG 3.31Å; I21-P24 WeakPolarHBondContact O-CG 3.43Å; P24-V27 PolarHBondContact O-N 2.94Å; P24-M28 WeakPolarHBondContact O-CG 3.48Å; P24-M28 PolarHBondContact O-N 3.07Å
25	L	82.9	Confident	79	Confident	24 Å²	24	83.1 Å²	83.1	13%	0.126	42%	0.422	C	S	.	.	H	α-helix	trans	-63.5	-44.7	174.7	-169.3	129.1	0	0	0	112	L22 I23 M28 C29 F68 L71	L22-L25 HydrophobicContact CD1-CD2 4.37Å; L22-L25 WeakPolarHBondContact O-CA 3.35Å; L22-L25 VanDerWaalsContact O-CB 3.31Å; L22-L25 WeakPolarHBondContact O-CB 3.27Å; L22-L25 PolarHBondContact O-N 2.94Å; L22-L25 VanDerWaalsContact O-N 3.16Å; I23-L25 PolarHBondContact O-N 3.33Å; L25-M28 PolarHBondContact O-N 3.07Å; L25-C29 PolarHBondContact O-N 3.01Å; L25-C29 VanDerWaalsContact O-N 3.07Å; L25-F68 HydrophobicContact CD1-CD2 3.27Å; L25-F68 HydrophobicContact CD1-CE2 3.49Å; L25-F68 VanDerWaalsContact CD1-CE2 3.49Å; L25-F68 HydrophobicContact CD1-CG 3.98Å; L25-F68 HydrophobicContact CD1-CZ 4.32Å; L25-F68 HydrophobicContact CD2-CD2 4.16Å; L25-F68 HydrophobicContact CD2-CE2 3.52Å; L25-F68 HydrophobicContact CD2-CZ 4.21Å; L25-F68 HydrophobicContact CG-CD2 3.4Å; L25-F68 VanDerWaalsContact CG-CD2 3.4Å; L25-F68 HydrophobicContact CG-CE2 3.29Å; L25-F68 HydrophobicContact CG-CZ 4.34Å; L25-L71 HydrophobicContact CD1-CB 4.15Å
26	V	82.1	Confident	79.4	Confident	68 Å²	68	82.1 Å²	82.1	41%	0.412	42%	0.417	S	S	.	.	H	α-helix	trans	-66.2	-43.6	175.8	172.3	0	0	0	0	111.1	L22 I23 M28 C29 I30	L22-V26 HydrophobicContact CG-CG2 4.36Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.24Å; I23-V26 PolarHBondContact O-N 3.37Å; V26-M28 VanDerWaalsContact C-N 3.3Å; V26-M28 PolarHBondContact O-N 3.41Å; V26-C29 WeakPolarHBondContact O-CB 3.44Å; V26-C29 PolarHBondContact O-N 3.21Å; V26-C29 VanDerWaalsContact O-N 3.12Å; V26-I30 HydrophobicContact CG1-CD1 3.86Å; V26-I30 HydrophobicContact CG1-CG1 4.33Å; V26-I30 WeakPolarHBondContact O-CG1 3.13Å; V26-I30 PolarHBondContact O-N 3.3Å
27	V	85.4	Confident	79.7	Confident	68 Å²	68	86.8 Å²	86.8	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-57.1	-44.6	175.8	170.5	0	0	0	0	110.8	I23 P24 C29 I30 I31	I23-V27 WeakPolarHBondContact O-CG2 3.41Å; I23-V27 PolarHBondContact O-N 2.99Å; P24-V27 PolarHBondContact O-N 2.94Å; V27-C29 VanDerWaalsContact C-N 3.35Å; V27-C29 PolarHBondContact O-N 3.26Å; V27-I30 PolarHBondContact O-N 2.84Å; V27-I31 HydrophobicContact CG1-CD1 3.7Å; V27-I31 HydrophobicContact CG1-CG1 4.41Å; V27-I31 WeakPolarHBondContact O-CB 3.33Å; V27-I31 VanDerWaalsContact O-CG1 3.27Å; V27-I31 WeakPolarHBondContact O-CG1 3.44Å; V27-I31 PolarHBondContact O-N 2.95Å
28	M	80.3	Confident	79.9	Confident	111 Å²	111	84 Å²	84	55%	0.547	42%	0.416	S	S	.	.	H	α-helix	trans	-63.5	-39.5	176.6	-69	-66.7	166.9	0	0	112.4	P24 L25 V26 Y32	P24-M28 WeakPolarHBondContact O-CG 3.48Å; P24-M28 PolarHBondContact O-N 3.07Å; L25-M28 PolarHBondContact O-N 3.07Å; V26-M28 VanDerWaalsContact C-N 3.3Å; V26-M28 PolarHBondContact O-N 3.41Å; M28-Y32 WeakPolarHBondContact O-CB 3.31Å; M28-Y32 PolarHBondContact O-N 2.94Å
29	C	80.3	Confident	80	Confident	61 Å²	61	83.3 Å²	83.3	41%	0.412	41%	0.412	S	S	.	.	H	α-helix	trans	-63.8	-44.8	175.3	-108.5	0	0	0	0	112.3	L25 V26 V27 Y32 L33	L25-C29 PolarHBondContact O-N 3.01Å; L25-C29 VanDerWaalsContact O-N 3.07Å; V26-C29 WeakPolarHBondContact O-CB 3.44Å; V26-C29 PolarHBondContact O-N 3.21Å; V26-C29 VanDerWaalsContact O-N 3.12Å; V27-C29 VanDerWaalsContact C-N 3.35Å; V27-C29 PolarHBondContact O-N 3.26Å; C29-Y32 PolarHBondContact O-N 3.44Å; C29-L33 WeakPolarHBondContact O-CG 2.89Å; C29-L33 PolarHBondContact O-N 3.29Å
30	I	85.9	Confident	79.9	Confident	105 Å²	105	89.5 Å²	89.5	54%	0.538	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-48.9	178	-68.1	172.9	0	0	0	110	V26 V27 Y32 L33 D34	V26-I30 HydrophobicContact CG1-CD1 3.86Å; V26-I30 HydrophobicContact CG1-CG1 4.33Å; V26-I30 WeakPolarHBondContact O-CG1 3.13Å; V26-I30 PolarHBondContact O-N 3.3Å; V27-I30 PolarHBondContact O-N 2.84Å; I30-Y32 PolarHBondContact O-N 3.18Å; I30-L33 PolarHBondContact O-N 2.84Å; I30-D34 VanDerWaalsContact O-CB 3.29Å; I30-D34 WeakPolarHBondContact O-CB 3.43Å; I30-D34 PolarHBondContact O-N 3.16Å
31	I	84.4	Confident	79.7	Confident	65 Å²	65	84.5 Å²	84.5	33%	0.333	42%	0.418	S	S	.	.	H	α-helix	trans	-58.5	-39.4	177	-67.6	169	0	0	0	110.4	V27 I35	V27-I31 HydrophobicContact CG1-CD1 3.7Å; V27-I31 HydrophobicContact CG1-CG1 4.41Å; V27-I31 WeakPolarHBondContact O-CB 3.33Å; V27-I31 VanDerWaalsContact O-CG1 3.27Å; V27-I31 WeakPolarHBondContact O-CG1 3.44Å; V27-I31 PolarHBondContact O-N 2.95Å; I31-I35 HydrophobicContact CG2-CD1 3.64Å; I31-I35 HydrophobicContact CG2-CG1 4.27Å; I31-I35 VanDerWaalsContact O-CB 3.3Å; I31-I35 WeakPolarHBondContact O-CB 3.33Å; I31-I35 WeakPolarHBondContact O-CD1 3.35Å; I31-I35 WeakPolarHBondContact O-CG1 3.19Å; I31-I35 PolarHBondContact O-N 3.46Å
32	Y	76.8	Confident	79.1	Confident	123 Å²	123	87.9 Å²	87.9	48%	0.482	43%	0.431	S	S	.	.	H	α-helix	trans	-66.5	-43.9	178.1	-170.7	-92	0	0	0	113	M28 C29 I30 F36 F61	M28-Y32 WeakPolarHBondContact O-CB 3.31Å; M28-Y32 PolarHBondContact O-N 2.94Å; C29-Y32 PolarHBondContact O-N 3.44Å; I30-Y32 PolarHBondContact O-N 3.18Å; Y32-F36 VanDerWaalsContact O-CB 3.29Å; Y32-F36 WeakPolarHBondContact O-CB 3.5Å; Y32-F36 PolarHBondContact O-N 3.29Å; Y32-F61 HydrophobicContact CD2-CE2 4.13Å; Y32-F61 HydrophobicContact CE2-CE2 4.39Å; Y32-F61 HydrophobicContact CE2-CZ 4.43Å
33	L	82.4	Confident	78.4	Confident	118 Å²	118	88.8 Å²	88.8	62%	0.618	44%	0.436	S	S	*	.	H	α-helix	trans	-65.9	-41.2	176.7	-72.4	174.7	0	0	0	111.5	C29 I30 F36 Y37	C29-L33 WeakPolarHBondContact O-CG 2.89Å; C29-L33 PolarHBondContact O-N 3.29Å; I30-L33 PolarHBondContact O-N 2.84Å; L33-F36 PolarHBondContact O-N 3.12Å; L33-Y37 VanDerWaalsContact O-CB 3.26Å; L33-Y37 WeakPolarHBondContact O-CB 3.18Å; L33-Y37 PolarHBondContact O-N 2.89Å
34	D	83.1	Confident	77.4	Confident	89 Å²	89	89.2 Å²	89.2	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-63.7	-47.5	177.1	-170.8	-99.2	0	0	0	110.7	I30 F36 Y37 I38	I30-D34 VanDerWaalsContact O-CB 3.29Å; I30-D34 WeakPolarHBondContact O-CB 3.43Å; I30-D34 PolarHBondContact O-N 3.16Å; D34-F36 PolarHBondContact O-N 3.38Å; D34-Y37 PolarHBondContact O-N 3.41Å; D34-I38 WeakPolarHBondContact O-CB 3.28Å; D34-I38 VanDerWaalsContact O-CG1 3.27Å; D34-I38 WeakPolarHBondContact O-CG1 3.38Å; D34-I38 PolarHBondContact O-N 2.98Å; D34-I38 WeakPolarHBondContact OD1-CD1 3.37Å
35	I	79.4	Confident	76.4	Confident	45 Å²	45	92.5 Å²	92.5	23%	0.231	46%	0.458	C	S	.	.	H	α-helix	trans	-54.9	-55.6	171.2	-71.2	166.7	0	0	0	108.8	I31 Y37 I38 I39 Y57	I31-I35 HydrophobicContact CG2-CD1 3.64Å; I31-I35 HydrophobicContact CG2-CG1 4.27Å; I31-I35 VanDerWaalsContact O-CB 3.3Å; I31-I35 WeakPolarHBondContact O-CB 3.33Å; I31-I35 WeakPolarHBondContact O-CD1 3.35Å; I31-I35 WeakPolarHBondContact O-CG1 3.19Å; I31-I35 PolarHBondContact O-N 3.46Å; I35-Y37 VanDerWaalsContact C-N 3.25Å; I35-Y37 PolarHBondContact O-N 3.07Å; I35-I38 CarbonylContact O-C 3.59Å; I35-I38 WeakPolarHBondContact O-CB 3.33Å; I35-I38 PolarHBondContact O-N 3.35Å; I35-I38 VanDerWaalsContact O-N 3.1Å; I35-I39 HydrophobicContact CG2-CD1 3.84Å; I35-I39 HydrophobicContact CG2-CG1 3.94Å; I35-I39 WeakPolarHBondContact O-CG1 3.21Å; I35-I39 PolarHBondContact O-N 3.3Å; I35-Y57 HydrophobicContact CD1-CD1 4.09Å; I35-Y57 HydrophobicContact CD1-CE1 4.09Å
36	F	79.9	Confident	75.3	Confident	97 Å²	97	98.4 Å²	98.4	43%	0.425	49%	0.49	S	S	.	.	H	α-helix	trans	-53.2	-42	-179.7	-171	-95.4	0	0	0	112.6	Y32 L33 D34 I39 R40	Y32-F36 VanDerWaalsContact O-CB 3.29Å; Y32-F36 WeakPolarHBondContact O-CB 3.5Å; Y32-F36 PolarHBondContact O-N 3.29Å; L33-F36 PolarHBondContact O-N 3.12Å; D34-F36 PolarHBondContact O-N 3.38Å; F36-I39 WeakPolarHBondContact O-CB 3.29Å; F36-I39 PolarHBondContact O-N 3.46Å; F36-R40 WeakPolarHBondContact O-CB 3.41Å; F36-R40 PolarHBondContact O-N 3.2Å
37	Y	80.6	Confident	74.1	Confident	168 Å²	168	99.5 Å²	99.5	66%	0.659	49%	0.493	S	S	*	.	H	α-helix	trans	-66.5	-47.4	177.9	-168.9	-95.1	0	0	0	111.3	L33 D34 I35 I39 R40 N41	L33-Y37 VanDerWaalsContact O-CB 3.26Å; L33-Y37 WeakPolarHBondContact O-CB 3.18Å; L33-Y37 PolarHBondContact O-N 2.89Å; D34-Y37 PolarHBondContact O-N 3.41Å; I35-Y37 VanDerWaalsContact C-N 3.25Å; I35-Y37 PolarHBondContact O-N 3.07Å; Y37-I39 VanDerWaalsContact C-N 3.32Å; Y37-I39 PolarHBondContact O-N 2.85Å; Y37-R40 PolarHBondContact O-N 3.36Å; Y37-N41 WeakPolarHBondContact O-CB 3.22Å; Y37-N41 PolarHBondContact O-N 3.3Å
38	I	77.8	Confident	72.8	Confident	74 Å²	74	102.7 Å²	102.7	38%	0.379	51%	0.512	S	S	.	.	H	α-helix	trans	-60	-42	173.5	-67.4	167.4	0	0	0	110.6	D34 I35 R40 N41 K42	D34-I38 WeakPolarHBondContact O-CB 3.28Å; D34-I38 VanDerWaalsContact O-CG1 3.27Å; D34-I38 WeakPolarHBondContact O-CG1 3.38Å; D34-I38 PolarHBondContact O-N 2.98Å; D34-I38 WeakPolarHBondContact OD1-CD1 3.37Å; I35-I38 CarbonylContact O-C 3.59Å; I35-I38 WeakPolarHBondContact O-CB 3.33Å; I35-I38 PolarHBondContact O-N 3.35Å; I35-I38 VanDerWaalsContact O-N 3.1Å; I38-R40 VanDerWaalsContact C-N 3.35Å; I38-R40 PolarHBondContact O-N 3.28Å; I38-N41 PolarHBondContact O-N 3.41Å; I38-K42 HydrophobicContact CG2-CG 3.97Å; I38-K42 WeakPolarHBondContact O-CB 3.41Å; I38-K42 VanDerWaalsContact O-CG 3.24Å; I38-K42 WeakPolarHBondContact O-CG 3.08Å; I38-K42 PolarHBondContact O-N 3.28Å
39	I	72.5	Confident	71.8	Confident	15 Å²	15	100.2 Å²	100.2	8%	0.077	52%	0.515	C	S	.	.	H	α-helix	trans	-56.8	-53.2	175.2	-46.9	-156.8	0	0	0	109.1	I35 F36 Y37 N41 K42 L43 F50 R54	I35-I39 HydrophobicContact CG2-CD1 3.84Å; I35-I39 HydrophobicContact CG2-CG1 3.94Å; I35-I39 WeakPolarHBondContact O-CG1 3.21Å; I35-I39 PolarHBondContact O-N 3.3Å; F36-I39 WeakPolarHBondContact O-CB 3.29Å; F36-I39 PolarHBondContact O-N 3.46Å; Y37-I39 VanDerWaalsContact C-N 3.32Å; Y37-I39 PolarHBondContact O-N 2.85Å; I39-N41 VanDerWaalsContact C-N 3.26Å; I39-N41 PolarHBondContact O-N 3.45Å; I39-K42 PolarHBondContact O-N 2.9Å; I39-L43 WeakPolarHBondContact O-CA 3.4Å; I39-L43 WeakPolarHBondContact O-CB 3.31Å; I39-L43 PolarHBondContact O-N 3.19Å; I39-F50 HydrophobicContact CB-CE1 4.06Å; I39-F50 HydrophobicContact CB-CE2 4.05Å; I39-F50 HydrophobicContact CB-CZ 3.7Å; I39-F50 HydrophobicContact CD1-CE1 3.37Å; I39-F50 HydrophobicContact CD1-CE2 4.28Å; I39-F50 HydrophobicContact CD1-CZ 3.18Å; I39-F50 HydrophobicContact CG1-CE1 3.64Å; I39-F50 HydrophobicContact CG1-CE2 3.69Å; I39-F50 HydrophobicContact CG1-CZ 3.04Å; I39-F50 HydrophobicContact CG2-CD1 4.03Å; I39-F50 HydrophobicContact CG2-CE1 3.58Å; I39-F50 HydrophobicContact CG2-CE2 4.26Å; I39-F50 HydrophobicContact CG2-CZ 3.77Å; I39-R54 HydrophobicContact CD1-CG 4.26Å
40	R	72.5	Confident	70.7	Confident	179 Å²	179	99 Å²	99	68%	0.675	50%	0.503	S	S	*	.	H	α-helix	trans	-64.7	-36.9	-173.3	-175.8	160.6	154.8	173.9	-9.4	110.9	F36 Y37 I38	F36-R40 WeakPolarHBondContact O-CB 3.41Å; F36-R40 PolarHBondContact O-N 3.2Å; Y37-R40 PolarHBondContact O-N 3.36Å; I38-R40 VanDerWaalsContact C-N 3.35Å; I38-R40 PolarHBondContact O-N 3.28Å
41	N	71.6	Confident	69.4	Low	96 Å²	96	103 Å²	103	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-71.4	-40.4	174.5	-167.7	65.7	0	0	0	112.9	Y37 I38 I39 S44	Y37-N41 WeakPolarHBondContact O-CB 3.22Å; Y37-N41 PolarHBondContact O-N 3.3Å; I38-N41 PolarHBondContact O-N 3.41Å; I39-N41 VanDerWaalsContact C-N 3.26Å; I39-N41 PolarHBondContact O-N 3.45Å; N41-S44 WeakPolarHBondContact O-CB 3.3Å
42	K	65.3	Low	68.4	Low	110 Å²	110	107.6 Å²	107.6	48%	0.478	53%	0.531	S	S	.	.	H	α-helix	trans	-79.3	-26.1	179.4	-70.7	-74	-174.7	-179.5	0	113.5	I38 I39 S44 Q45 N46	I38-K42 HydrophobicContact CG2-CG 3.97Å; I38-K42 WeakPolarHBondContact O-CB 3.41Å; I38-K42 VanDerWaalsContact O-CG 3.24Å; I38-K42 WeakPolarHBondContact O-CG 3.08Å; I38-K42 PolarHBondContact O-N 3.28Å; I39-K42 PolarHBondContact O-N 2.9Å; K42-S44 PolarHBondContact O-N 3.24Å; K42-Q45 CarbonylContact O-C 3.5Å; K42-Q45 WeakPolarHBondContact O-CA 3.06Å; K42-Q45 PolarHBondContact O-N 2.87Å; K42-N46 PolarHBondContact O-N 3.48Å
43	L	61.4	Low	67.7	Low	95 Å²	95	105.8 Å²	105.8	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-60.3	-32.9	173.2	179.4	64.3	0	0	0	111.1	I39 Q45 L47	I39-L43 WeakPolarHBondContact O-CA 3.4Å; I39-L43 WeakPolarHBondContact O-CB 3.31Å; I39-L43 PolarHBondContact O-N 3.19Å; L43-Q45 PolarHBondContact O-N 3.5Å; L43-L47 HydrophobicContact CD1-CD1 3.38Å; L43-L47 HydrophobicContact CD1-CD2 4.06Å; L43-L47 HydrophobicContact CD1-CG 3.64Å
44	S	60.3	Low	66.9	Low	102 Å²	102	105.8 Å²	105.8	71%	0.713	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.9	170.6	176.3	0	0	0	0	113.7	N41 K42	N41-S44 WeakPolarHBondContact O-CB 3.3Å; K42-S44 PolarHBondContact O-N 3.24Å
45	Q	60.4	Low	66.1	Low	129 Å²	129	104.8 Å²	104.8	60%	0.603	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132	21.7	-165.4	-71.3	-156.5	-29.6	0	0	116.3	K42 L43	K42-Q45 CarbonylContact O-C 3.5Å; K42-Q45 WeakPolarHBondContact O-CA 3.06Å; K42-Q45 PolarHBondContact O-N 2.87Å; L43-Q45 PolarHBondContact O-N 3.5Å
46	N	58.4	Low	65.4	Low	149 Å²	149	110 Å²	110	80%	0.797	55%	0.55	S	S	*	*			trans	105.4	132.2	175.7	-61.4	-83.7	0	0	0	115.8	K42	K42-N46 PolarHBondContact O-N 3.48Å
47	L	58.3	Low	64.6	Low	91 Å²	91	111.5 Å²	111.5	48%	0.476	55%	0.554	S	S	.	*			trans	-106.3	1.4	-148.4	-124.3	147	0	0	0	115.4	L43	L43-L47 HydrophobicContact CD1-CD1 3.38Å; L43-L47 HydrophobicContact CD1-CD2 4.06Å; L43-L47 HydrophobicContact CD1-CG 3.64Å
48	T	57.5	Low	63.8	Low	135 Å²	135	105.6 Å²	105.6	83%	0.828	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-40	-163.6	21.6	0	0	0	0	114.8	F50	T48-F50 VanDerWaalsContact C-N 3.34Å; T48-F50 PolarHBondContact O-N 3.02Å
49	G	59.1	Low	63.3	Low	58 Å²	58	111.7 Å²	111.7	60%	0.598	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-11.3	178.7	0	0	0	0	0	115.1
50	F	57	Low	63.1	Low	36 Å²	36	116.8 Å²	116.8	16%	0.158	59%	0.586	C	S	.	*	H	α-helix	trans	-84	-29.3	-166.3	-168	-82	0	0	0	113.9	I39 T48 E52 R54	I39-F50 HydrophobicContact CB-CE1 4.06Å; I39-F50 HydrophobicContact CB-CE2 4.05Å; I39-F50 HydrophobicContact CB-CZ 3.7Å; I39-F50 HydrophobicContact CD1-CE1 3.37Å; I39-F50 HydrophobicContact CD1-CE2 4.28Å; I39-F50 HydrophobicContact CD1-CZ 3.18Å; I39-F50 HydrophobicContact CG1-CE1 3.64Å; I39-F50 HydrophobicContact CG1-CE2 3.69Å; I39-F50 HydrophobicContact CG1-CZ 3.04Å; I39-F50 HydrophobicContact CG2-CD1 4.03Å; I39-F50 HydrophobicContact CG2-CE1 3.58Å; I39-F50 HydrophobicContact CG2-CE2 4.26Å; I39-F50 HydrophobicContact CG2-CZ 3.77Å; T48-F50 VanDerWaalsContact C-N 3.34Å; T48-F50 PolarHBondContact O-N 3.02Å; F50-E52 VanDerWaalsContact C-N 3.32Å; F50-E52 PolarHBondContact O-N 2.99Å; F50-R54 HydrophobicContact CE1-CB 3.91Å; F50-R54 HydrophobicContact CE1-CG 4.07Å; F50-R54 VanDerWaalsContact CE1-CZ 3.5Å; F50-R54 VanDerWaalsContact CE1-NE 3.34Å; F50-R54 VanDerWaalsContact CE1-NH2 3.29Å; F50-R54 PolarHBondContact O-N 3.48Å
51	R	59.5	Low	62.8	Low	189 Å²	189	112.5 Å²	112.5	71%	0.713	57%	0.572	S	S	*	*	H	α-helix	trans	-66.5	-32.1	-176.3	-79.7	172.9	65.4	179	-0.5	112.9	A55	R51-A55 WeakPolarHBondContact O-CB 3.35Å; R51-A55 PolarHBondContact O-N 2.88Å
52	E	62.4	Low	62.6	Low	161 Å²	161	116.2 Å²	116.2	75%	0.752	58%	0.584	S	S	*	*	H	α-helix	trans	-68.5	-48.2	-179.6	-113.3	-178.5	117.2	0	0	112.4	F50 R54 A55 F56	F50-E52 VanDerWaalsContact C-N 3.32Å; F50-E52 PolarHBondContact O-N 2.99Å; E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 2.75Å; E52-A55 PolarHBondContact O-N 3.28Å; E52-F56 PolarHBondContact O-N 3.4Å
53	T	63.1	Low	63	Low	85 Å²	85	115.8 Å²	115.8	52%	0.521	59%	0.59	S	S	.	*	H	α-helix	trans	-63.6	-38.8	179.7	-55.9	0	0	0	0	111.2	Y57	T53-Y57 HydrophobicContact CG2-CD2 4.43Å; T53-Y57 WeakPolarHBondContact O-CB 3.25Å; T53-Y57 PolarHBondContact O-N 2.74Å
54	R	65.8	Low	63.8	Low	118 Å²	118	113 Å²	113	45%	0.445	58%	0.581	S	S	.	*	H	α-helix	trans	-68	-37.7	177.7	-147.5	-158.4	-59.5	-124.1	-1.9	112.5	I39 F50 E52 G58	I39-R54 HydrophobicContact CD1-CG 4.26Å; F50-R54 HydrophobicContact CE1-CB 3.91Å; F50-R54 HydrophobicContact CE1-CG 4.07Å; F50-R54 VanDerWaalsContact CE1-CZ 3.5Å; F50-R54 VanDerWaalsContact CE1-NE 3.34Å; F50-R54 VanDerWaalsContact CE1-NH2 3.29Å; F50-R54 PolarHBondContact O-N 3.48Å; E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 2.75Å; R54-G58 PolarHBondContact O-N 3.35Å
55	A	64.8	Low	64.4	Low	68 Å²	68	114.1 Å²	114.1	56%	0.562	57%	0.573	S	S	*	*	H	α-helix	trans	-71	-38.4	178.6	0	0	0	0	0	111.8	R51 E52 R59	R51-A55 WeakPolarHBondContact O-CB 3.35Å; R51-A55 PolarHBondContact O-N 2.88Å; E52-A55 PolarHBondContact O-N 3.28Å; A55-R59 PolarHBondContact O-N 3.47Å
56	F	65.3	Low	65.3	Low	155 Å²	155	111.7 Å²	111.7	68%	0.68	57%	0.57	S	S	*	*	H	α-helix	trans	-65.9	-51.4	175.4	-146.5	-89.3	0	0	0	110.9	E52 G58 R59 E60	E52-F56 PolarHBondContact O-N 3.4Å; F56-G58 PolarHBondContact O-N 3.41Å; F56-R59 PolarHBondContact O-N 2.76Å; F56-E60 PolarHBondContact O-N 3.37Å
57	Y	63.2	Low	66.4	Low	129 Å²	129	109.7 Å²	109.7	51%	0.506	56%	0.559	S	S	.	*	H	α-helix	trans	-65.4	-37.3	177.2	-104.4	-96	0	0	0	113.4	I35 T53 R59 E60 F61	I35-Y57 HydrophobicContact CD1-CD1 4.09Å; I35-Y57 HydrophobicContact CD1-CE1 4.09Å; T53-Y57 HydrophobicContact CG2-CD2 4.43Å; T53-Y57 WeakPolarHBondContact O-CB 3.25Å; T53-Y57 PolarHBondContact O-N 2.74Å; Y57-R59 PolarHBondContact O-N 2.96Å; Y57-E60 PolarHBondContact O-N 3.18Å; Y57-F61 WeakPolarHBondContact O-CB 3.33Å; Y57-F61 PolarHBondContact O-N 2.92Å
58	G	64.3	Low	67.5	Low	43 Å²	43	108.7 Å²	108.7	44%	0.443	55%	0.551	S	S	.	*	H	α-helix	trans	-64	-27.6	178.1	0	0	0	0	0	113.4	R54 F56 K62	R54-G58 PolarHBondContact O-N 3.35Å; F56-G58 PolarHBondContact O-N 3.41Å; G58-K62 PolarHBondContact O-N 2.71Å
59	R	67.4	Low	68.6	Low	203 Å²	203	106.7 Å²	106.7	77%	0.766	54%	0.535	S	S	*	.	H	α-helix	trans	-75.1	-45.9	176.2	-169.2	169.6	176.3	167.2	-3.3	111.5	A55 F56 Y57 F61 K62	A55-R59 PolarHBondContact O-N 3.47Å; F56-R59 PolarHBondContact O-N 2.76Å; Y57-R59 PolarHBondContact O-N 2.96Å; R59-F61 PolarHBondContact O-N 3.1Å; R59-K62 PolarHBondContact O-N 3.28Å
60	E	67.1	Low	69.8	Low	122 Å²	122	108.1 Å²	108.1	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-60.7	-36.6	171.5	-59.9	-63.9	121.5	0	0	111.3	F56 Y57 K62 T63 A64	F56-E60 PolarHBondContact O-N 3.37Å; Y57-E60 PolarHBondContact O-N 3.18Å; E60-K62 VanDerWaalsContact C-N 3.29Å; E60-K62 PolarHBondContact O-N 2.97Å; E60-T63 PolarHBondContact O-N 3.35Å; E60-A64 PolarHBondContact O-N 3.32Å
61	F	65.9	Low	70.8	Confident	89 Å²	89	109.2 Å²	109.2	39%	0.39	54%	0.539	S	S	.	.	H	α-helix	trans	-66.3	-26.6	179.8	-167.1	-98.8	0	0	0	113.4	Y32 Y57 R59 T63 A64 K65	Y32-F61 HydrophobicContact CD2-CE2 4.13Å; Y32-F61 HydrophobicContact CE2-CE2 4.39Å; Y32-F61 HydrophobicContact CE2-CZ 4.43Å; Y57-F61 WeakPolarHBondContact O-CB 3.33Å; Y57-F61 PolarHBondContact O-N 2.92Å; R59-F61 PolarHBondContact O-N 3.1Å; F61-T63 VanDerWaalsContact C-N 3.26Å; F61-T63 PolarHBondContact O-N 2.78Å; F61-A64 PolarHBondContact O-N 3.44Å; F61-K65 HydrophobicContact CD1-CB 4.09Å; F61-K65 HydrophobicContact CD1-CD 4.46Å; F61-K65 HydrophobicContact CE1-CB 3.96Å; F61-K65 HydrophobicContact CE1-CD 4.03Å; F61-K65 HydrophobicContact CE1-CG 4.12Å; F61-K65 WeakPolarHBondContact O-CB 3.4Å; F61-K65 PolarHBondContact O-N 3.34Å
62	K	67.5	Low	71.8	Confident	174 Å²	174	104.6 Å²	104.6	76%	0.757	52%	0.524	S	S	*	.	H	α-helix	trans	-62	-37.6	179.4	-169.5	174.7	-178.6	-179	0	111.6	G58 R59 E60	G58-K62 PolarHBondContact O-N 2.71Å; R59-K62 PolarHBondContact O-N 3.28Å; E60-K62 VanDerWaalsContact C-N 3.29Å; E60-K62 PolarHBondContact O-N 2.97Å
63	T	73.6	Confident	72.7	Confident	100 Å²	100	101.2 Å²	101.2	61%	0.613	51%	0.51	S	S	*	.	H	α-helix	trans	-77.1	-46.3	177.1	-51.1	0	0	0	0	110.8	E60 F61 K65 S66 L67	E60-T63 PolarHBondContact O-N 3.35Å; F61-T63 VanDerWaalsContact C-N 3.26Å; F61-T63 PolarHBondContact O-N 2.78Å; T63-K65 VanDerWaalsContact C-N 3.3Å; T63-K65 PolarHBondContact O-N 3.41Å; T63-S66 PolarHBondContact O-N 2.79Å; T63-L67 PolarHBondContact O-N 3.32Å
64	A	78.4	Confident	73.4	Confident	38 Å²	38	101.2 Å²	101.2	31%	0.314	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-32.6	179.2	0	0	0	0	0	113	E60 F61 S66 L67 F68	E60-A64 PolarHBondContact O-N 3.32Å; F61-A64 PolarHBondContact O-N 3.44Å; A64-S66 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.32Å; A64-L67 PolarHBondContact O-N 3.38Å; A64-F68 VanDerWaalsContact O-CB 3.3Å; A64-F68 WeakPolarHBondContact O-CB 3.33Å; A64-F68 PolarHBondContact O-N 3.36Å
65	K	74	Confident	73.8	Confident	125 Å²	125	96.5 Å²	96.5	54%	0.543	49%	0.49	S	S	.	.	H	α-helix	trans	-62.9	-39.1	179	-176.4	-177.8	-177.3	-178.2	0	112.4	F61 T63 L69	F61-K65 HydrophobicContact CD1-CB 4.09Å; F61-K65 HydrophobicContact CD1-CD 4.46Å; F61-K65 HydrophobicContact CE1-CB 3.96Å; F61-K65 HydrophobicContact CE1-CD 4.03Å; F61-K65 HydrophobicContact CE1-CG 4.12Å; F61-K65 WeakPolarHBondContact O-CB 3.4Å; F61-K65 PolarHBondContact O-N 3.34Å; T63-K65 VanDerWaalsContact C-N 3.3Å; T63-K65 PolarHBondContact O-N 3.41Å; K65-L69 VanDerWaalsContact O-CB 3.29Å; K65-L69 WeakPolarHBondContact O-CB 3.25Å; K65-L69 PolarHBondContact O-N 3.36Å
66	S	79.4	Confident	74.3	Confident	77 Å²	77	97.4 Å²	97.4	54%	0.538	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-46.7	177.1	-171	0	0	0	0	110.6	T63 A64 L69 V70	T63-S66 PolarHBondContact O-N 2.79Å; A64-S66 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.32Å; S66-L69 PolarHBondContact O-N 3.19Å; S66-V70 WeakPolarHBondContact O-CG2 3.16Å; S66-V70 PolarHBondContact O-N 3.44Å
67	L	80.8	Confident	74.4	Confident	107 Å²	107	94.3 Å²	94.3	56%	0.56	48%	0.482	S	S	*	.	H	α-helix	trans	-61.2	-49.1	176.5	-63.4	173.4	0	0	0	111.3	T63 A64 L69 V70 L71	T63-L67 PolarHBondContact O-N 3.32Å; A64-L67 PolarHBondContact O-N 3.38Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 3.28Å; L67-V70 PolarHBondContact O-N 3.37Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 2.96Å
68	F	81.6	Confident	74.6	Confident	70 Å²	70	91.6 Å²	91.6	31%	0.307	47%	0.47	S	S	.	.	H	α-helix	trans	-53.1	-47.4	175	174.3	-84.9	0	0	0	111.5	L25 A64 V70 L71 F72	L25-F68 HydrophobicContact CD1-CD2 3.27Å; L25-F68 HydrophobicContact CD1-CE2 3.49Å; L25-F68 VanDerWaalsContact CD1-CE2 3.49Å; L25-F68 HydrophobicContact CD1-CG 3.98Å; L25-F68 HydrophobicContact CD1-CZ 4.32Å; L25-F68 HydrophobicContact CD2-CD2 4.16Å; L25-F68 HydrophobicContact CD2-CE2 3.52Å; L25-F68 HydrophobicContact CD2-CZ 4.21Å; L25-F68 HydrophobicContact CG-CD2 3.4Å; L25-F68 VanDerWaalsContact CG-CD2 3.4Å; L25-F68 HydrophobicContact CG-CE2 3.29Å; L25-F68 HydrophobicContact CG-CZ 4.34Å; A64-F68 VanDerWaalsContact O-CB 3.3Å; A64-F68 WeakPolarHBondContact O-CB 3.33Å; A64-F68 PolarHBondContact O-N 3.36Å; F68-V70 PolarHBondContact O-N 3.28Å; F68-L71 PolarHBondContact O-N 2.83Å; F68-F72 HydrophobicContact CD1-CB 4.41Å; F68-F72 HydrophobicContact CE1-CB 4.14Å; F68-F72 HydrophobicContact CE1-CG 4.31Å; F68-F72 HydrophobicContact CZ-CD2 4.4Å; F68-F72 WeakPolarHBondContact O-CB 3.09Å; F68-F72 PolarHBondContact O-N 2.82Å
69	L	81.2	Confident	74.8	Confident	93 Å²	93	94 Å²	94	49%	0.487	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-45.2	-177.6	-174.9	132.9	0	0	0	111.1	K65 S66 L67 F72 L73	K65-L69 VanDerWaalsContact O-CB 3.29Å; K65-L69 WeakPolarHBondContact O-CB 3.25Å; K65-L69 PolarHBondContact O-N 3.36Å; S66-L69 PolarHBondContact O-N 3.19Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 3.28Å; L69-F72 PolarHBondContact O-N 2.83Å; L69-L73 HydrophobicContact CD2-CD1 3.42Å; L69-L73 VanDerWaalsContact CD2-CD1 3.42Å; L69-L73 HydrophobicContact CG-CD1 3.87Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 WeakPolarHBondContact O-CD1 3.49Å; L69-L73 PolarHBondContact O-N 2.81Å
70	V	82.7	Confident	74.8	Confident	88 Å²	88	87.2 Å²	87.2	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-62.1	-45.3	176.1	174.4	0	0	0	0	111.2	S66 L67 F68 L73 F74	S66-V70 WeakPolarHBondContact O-CG2 3.16Å; S66-V70 PolarHBondContact O-N 3.44Å; L67-V70 PolarHBondContact O-N 3.37Å; F68-V70 PolarHBondContact O-N 3.28Å; V70-L73 PolarHBondContact O-N 3.31Å; V70-F74 VanDerWaalsContact O-CB 3.27Å; V70-F74 WeakPolarHBondContact O-CB 3.49Å; V70-F74 PolarHBondContact O-N 2.98Å
71	L	79.7	Confident	74.6	Confident	59 Å²	59	85.5 Å²	85.5	31%	0.309	45%	0.449	S	S	.	.	H	α-helix	trans	-67.4	-37	179.4	-62.1	167.7	0	0	0	111.9	I21 L25 L67 F68 F74 A75	I21-L71 HydrophobicContact CD1-CD2 4.27Å; I21-L71 HydrophobicContact CG2-CB 4Å; I21-L71 HydrophobicContact CG2-CD1 4.05Å; I21-L71 HydrophobicContact CG2-CD2 3.58Å; I21-L71 HydrophobicContact CG2-CG 4.04Å; L25-L71 HydrophobicContact CD1-CB 4.15Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 2.96Å; F68-L71 PolarHBondContact O-N 2.83Å; L71-F74 PolarHBondContact O-N 3.41Å; L71-A75 WeakPolarHBondContact O-CB 3.36Å; L71-A75 PolarHBondContact O-N 2.9Å
72	F	79.2	Confident	74.5	Confident	93 Å²	93	82.5 Å²	82.5	41%	0.408	44%	0.439	S	S	.	.	H	α-helix	trans	-68.9	-44.2	176.7	-177.8	-104.4	0	0	0	111.7	F68 L69 F74 A75 L76	F68-F72 HydrophobicContact CD1-CB 4.41Å; F68-F72 HydrophobicContact CE1-CB 4.14Å; F68-F72 HydrophobicContact CE1-CG 4.31Å; F68-F72 HydrophobicContact CZ-CD2 4.4Å; F68-F72 WeakPolarHBondContact O-CB 3.09Å; F68-F72 PolarHBondContact O-N 2.82Å; L69-F72 PolarHBondContact O-N 2.83Å; F72-F74 VanDerWaalsContact C-N 3.33Å; F72-A75 PolarHBondContact O-N 3.31Å; F72-L76 HydrophobicContact CD1-CD1 3.67Å; F72-L76 HydrophobicContact CD1-CG 4.16Å; F72-L76 HydrophobicContact CE1-CD1 3.12Å; F72-L76 HydrophobicContact CE1-CG 3.83Å; F72-L76 HydrophobicContact CE2-CD1 4.4Å; F72-L76 HydrophobicContact CE2-CG 4.27Å; F72-L76 HydrophobicContact CZ-CD1 3.55Å; F72-L76 HydrophobicContact CZ-CD2 4.22Å; F72-L76 HydrophobicContact CZ-CG 3.87Å; F72-L76 VanDerWaalsContact O-CB 3.28Å; F72-L76 WeakPolarHBondContact O-CB 3.34Å; F72-L76 WeakPolarHBondContact O-CG 3.27Å; F72-L76 PolarHBondContact O-N 3.49Å
73	L	82.2	Confident	74.4	Confident	89 Å²	89	78.6 Å²	78.6	47%	0.466	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-43.6	172.2	-87.1	148.7	0	0	0	111.2	L69 V70 L76 C77	L69-L73 HydrophobicContact CD2-CD1 3.42Å; L69-L73 VanDerWaalsContact CD2-CD1 3.42Å; L69-L73 HydrophobicContact CG-CD1 3.87Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 WeakPolarHBondContact O-CD1 3.49Å; L69-L73 PolarHBondContact O-N 2.81Å; V70-L73 PolarHBondContact O-N 3.31Å; L73-L76 PolarHBondContact O-N 3.34Å; L73-C77 WeakPolarHBondContact O-CB 3.33Å; L73-C77 PolarHBondContact O-N 3.38Å; L73-C77 PolarHBondContact O-SG 3.39Å
74	F	76.6	Confident	73.9	Confident	85 Å²	85	79 Å²	79	37%	0.373	42%	0.423	S	S	.	.	H	α-helix	trans	-59.8	-48.8	176.3	-171.4	-99.3	0	0	0	110.9	F14 V70 L71 F72 C77 W78	F14-F74 AromaticContact CE1-CE1 3.7Å; F14-F74 HydrophobicContact CE1-CE1 3.7Å; F14-F74 AromaticContact CE1-CZ 3.67Å; F14-F74 HydrophobicContact CE1-CZ 3.67Å; F14-F74 HydrophobicContact CZ-CE1 4.19Å; F14-F74 AromaticContact CZ-CZ 3.69Å; F14-F74 HydrophobicContact CZ-CZ 3.69Å; V70-F74 VanDerWaalsContact O-CB 3.27Å; V70-F74 WeakPolarHBondContact O-CB 3.49Å; V70-F74 PolarHBondContact O-N 2.98Å; L71-F74 PolarHBondContact O-N 3.41Å; F72-F74 VanDerWaalsContact C-N 3.33Å; F74-C77 PolarHBondContact O-N 2.82Å; F74-W78 HydrophobicContact CE1-CE3 4.27Å; F74-W78 HydrophobicContact CE2-CE3 4.14Å; F74-W78 HydrophobicContact CE2-CZ3 4.1Å; F74-W78 AromaticContact CZ-CE3 3.89Å; F74-W78 HydrophobicContact CZ-CE3 3.89Å; F74-W78 AromaticContact CZ-CZ3 3.92Å; F74-W78 HydrophobicContact CZ-CZ3 3.92Å; F74-W78 VanDerWaalsContact O-CB 3.31Å; F74-W78 WeakPolarHBondContact O-CB 3.28Å; F74-W78 PolarHBondContact O-N 3.49Å
75	A	74.2	Confident	72.9	Confident	20 Å²	20	80.8 Å²	80.8	17%	0.165	43%	0.427	C	S	.	.	H	α-helix	trans	-61.2	-45.5	175.2	0	0	0	0	0	112.1	L71 F72 C77 W78 L79	L71-A75 WeakPolarHBondContact O-CB 3.36Å; L71-A75 PolarHBondContact O-N 2.9Å; F72-A75 PolarHBondContact O-N 3.31Å; A75-C77 PolarHBondContact O-N 3.25Å; A75-W78 CarbonylContact O-C 3.54Å; A75-W78 PolarHBondContact O-N 3.33Å; A75-W78 VanDerWaalsContact O-N 3.15Å; A75-L79 WeakPolarHBondContact O-CB 3.12Å; A75-L79 PolarHBondContact O-N 2.78Å
76	L	75.2	Confident	72.3	Confident	86 Å²	86	79.9 Å²	79.9	45%	0.45	42%	0.423	S	S	.	.	H	α-helix	trans	-66.1	-33.1	179.3	-83.7	-174.7	0	0	0	113.7	F72 L73 P80	F72-L76 HydrophobicContact CD1-CD1 3.67Å; F72-L76 HydrophobicContact CD1-CG 4.16Å; F72-L76 HydrophobicContact CE1-CD1 3.12Å; F72-L76 HydrophobicContact CE1-CG 3.83Å; F72-L76 HydrophobicContact CE2-CD1 4.4Å; F72-L76 HydrophobicContact CE2-CG 4.27Å; F72-L76 HydrophobicContact CZ-CD1 3.55Å; F72-L76 HydrophobicContact CZ-CD2 4.22Å; F72-L76 HydrophobicContact CZ-CG 3.87Å; F72-L76 VanDerWaalsContact O-CB 3.28Å; F72-L76 WeakPolarHBondContact O-CB 3.34Å; F72-L76 WeakPolarHBondContact O-CG 3.27Å; F72-L76 PolarHBondContact O-N 3.49Å; L73-L76 PolarHBondContact O-N 3.34Å; L76-P80 WeakPolarHBondContact O-CD 3.2Å; L76-P80 WeakPolarHBondContact O-CG 3.29Å
77	C	69.4	Low	71.4	Confident	91 Å²	91	80.2 Å²	80.2	62%	0.615	42%	0.422	S	S	*	.	H	α-helix	trans	-76	-29.2	172.8	-74.2	0	0	0	0	111.5	L73 F74 A75 P80	L73-C77 WeakPolarHBondContact O-CB 3.33Å; L73-C77 PolarHBondContact O-N 3.38Å; L73-C77 PolarHBondContact O-SG 3.39Å; F74-C77 PolarHBondContact O-N 2.82Å; A75-C77 PolarHBondContact O-N 3.25Å; C77-P80 WeakPolarHBondContact O-CG 3.38Å
78	W	65.9	Low	70.3	Confident	71 Å²	71	78.8 Å²	78.8	27%	0.269	42%	0.421	S	S	.	.	H	α-helix	trans	-80.8	-29.6	178.6	-141.9	-90.5	0	0	0	113.6	F14 I18 F74 A75 L81 S82	F14-W78 HydrophobicContact CD1-CD2 4.07Å; F14-W78 AromaticContact CD1-CE2 3.38Å; F14-W78 HydrophobicContact CD1-CH2 4.31Å; F14-W78 AromaticContact CD1-CZ2 3.54Å; F14-W78 HydrophobicContact CD1-CZ2 3.54Å; F14-W78 AromaticContact CD1-NE1 3.4Å; F14-W78 HydrophobicContact CD2-CZ2 4.03Å; F14-W78 AromaticContact CE1-CD2 3.51Å; F14-W78 HydrophobicContact CE1-CD2 3.51Å; F14-W78 AromaticContact CE1-CE2 3.12Å; F14-W78 AromaticContact CE1-CE3 3.79Å; F14-W78 HydrophobicContact CE1-CE3 3.79Å; F14-W78 HydrophobicContact CE1-CG 4.26Å; F14-W78 AromaticContact CE1-CH2 3.45Å; F14-W78 HydrophobicContact CE1-CH2 3.45Å; F14-W78 VanDerWaalsContact CE1-CH2 3.45Å; F14-W78 AromaticContact CE1-CZ2 3.12Å; F14-W78 HydrophobicContact CE1-CZ2 3.12Å; F14-W78 AromaticContact CE1-CZ3 3.76Å; F14-W78 HydrophobicContact CE1-CZ3 3.76Å; F14-W78 AromaticContact CE1-NE1 3.65Å; F14-W78 AromaticContact CE2-CH2 3.75Å; F14-W78 HydrophobicContact CE2-CH2 3.75Å; F14-W78 AromaticContact CE2-CZ2 3.66Å; F14-W78 HydrophobicContact CE2-CZ2 3.66Å; F14-W78 AromaticContact CG-CZ2 3.97Å; F14-W78 HydrophobicContact CG-CZ2 3.97Å; F14-W78 HydrophobicContact CZ-CD2 4.22Å; F14-W78 AromaticContact CZ-CE2 3.73Å; F14-W78 HydrophobicContact CZ-CE3 4.14Å; F14-W78 AromaticContact CZ-CH2 3.1Å; F14-W78 HydrophobicContact CZ-CH2 3.1Å; F14-W78 AromaticContact CZ-CZ2 3.18Å; F14-W78 HydrophobicContact CZ-CZ2 3.18Å; F14-W78 AromaticContact CZ-CZ3 3.61Å; F14-W78 HydrophobicContact CZ-CZ3 3.61Å; I18-W78 HydrophobicContact CD1-CB 4.21Å; I18-W78 HydrophobicContact CD1-CG 3.82Å; F74-W78 HydrophobicContact CE1-CE3 4.27Å; F74-W78 HydrophobicContact CE2-CE3 4.14Å; F74-W78 HydrophobicContact CE2-CZ3 4.1Å; F74-W78 AromaticContact CZ-CE3 3.89Å; F74-W78 HydrophobicContact CZ-CE3 3.89Å; F74-W78 AromaticContact CZ-CZ3 3.92Å; F74-W78 HydrophobicContact CZ-CZ3 3.92Å; F74-W78 VanDerWaalsContact O-CB 3.31Å; F74-W78 WeakPolarHBondContact O-CB 3.28Å; F74-W78 PolarHBondContact O-N 3.49Å; A75-W78 CarbonylContact O-C 3.54Å; A75-W78 PolarHBondContact O-N 3.33Å; A75-W78 VanDerWaalsContact O-N 3.15Å; W78-L81 PolarHBondContact O-N 2.78Å; W78-S82 WeakPolarHBondContact O-CB 3.34Å; W78-S82 PolarHBondContact O-N 2.79Å; W78-S82 PolarHBondContact O-OG 2.76Å
79	L	69.3	Low	69	Low	94 Å²	94	81 Å²	81	49%	0.492	43%	0.428	S	S	.	.	H	α-helix	trans	-59	-51.2	179.2	-137.5	153.7	0	0	0	113	A75 L81 S82 I83	A75-L79 WeakPolarHBondContact O-CB 3.12Å; A75-L79 PolarHBondContact O-N 2.78Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 3.28Å; L79-S82 CarbonylContact O-C 3.59Å; L79-S82 PolarHBondContact O-N 3.49Å; L79-I83 HydrophobicContact CD2-CD1 3.41Å; L79-I83 VanDerWaalsContact CD2-CD1 3.41Å; L79-I83 HydrophobicContact CD2-CG1 3.99Å; L79-I83 WeakPolarHBondContact O-CB 3.37Å; L79-I83 VanDerWaalsContact O-CG1 3.27Å; L79-I83 WeakPolarHBondContact O-CG1 3.35Å; L79-I83 PolarHBondContact O-N 3.21Å
80	P	66.3	Low	67.7	Low	60 Å²	60	79.7 Å²	79.7	39%	0.39	42%	0.419	S	S	.	.	H	α-helix	trans	-65.6	-35.2	176.3	24	-31.6	0	0	0	111.8	L76 C77 S82 I83 I84	L76-P80 WeakPolarHBondContact O-CD 3.2Å; L76-P80 WeakPolarHBondContact O-CG 3.29Å; C77-P80 WeakPolarHBondContact O-CG 3.38Å; P80-S82 VanDerWaalsContact C-N 3.33Å; P80-I83 PolarHBondContact O-N 3.44Å; P80-I84 WeakPolarHBondContact O-CB 3.31Å; P80-I84 WeakPolarHBondContact O-CD1 3.4Å; P80-I84 WeakPolarHBondContact O-CG1 3.27Å; P80-I84 PolarHBondContact O-N 2.81Å
81	L	64.6	Low	66.4	Low	87 Å²	87	82.1 Å²	82.1	46%	0.455	43%	0.429	S	S	.	.	H	α-helix	trans	-65	-39.9	174.4	-164.1	73.5	0	0	0	111.4	W78 L79 N85	W78-L81 PolarHBondContact O-N 2.78Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 3.28Å; L81-N85 VanDerWaalsContact O-CB 3.27Å; L81-N85 WeakPolarHBondContact O-CB 3.19Å; L81-N85 PolarHBondContact O-N 3.48Å; L81-N85 PolarHBondContact O-ND2 3.32Å
82	S	63	Low	65	Low	26 Å²	26	84.4 Å²	84.4	18%	0.182	45%	0.445	C	S	.	.	H	α-helix	trans	-68.6	-41	175.3	-55.9	0	0	0	0	111.4	W78 L79 P80 F86	W78-S82 WeakPolarHBondContact O-CB 3.34Å; W78-S82 PolarHBondContact O-N 2.79Å; W78-S82 PolarHBondContact O-OG 2.76Å; L79-S82 CarbonylContact O-C 3.59Å; L79-S82 PolarHBondContact O-N 3.49Å; P80-S82 VanDerWaalsContact C-N 3.33Å; S82-F86 WeakPolarHBondContact O-CB 3.19Å; S82-F86 PolarHBondContact O-N 3.37Å
83	I	65.4	Low	63.4	Low	91 Å²	91	86.6 Å²	86.6	47%	0.467	45%	0.454	S	S	.	.	H	α-helix	trans	-63.1	-47.6	174.4	-70.4	168.3	0	0	0	110.3	L79 P80 N85 F86 V87	L79-I83 HydrophobicContact CD2-CD1 3.41Å; L79-I83 VanDerWaalsContact CD2-CD1 3.41Å; L79-I83 HydrophobicContact CD2-CG1 3.99Å; L79-I83 WeakPolarHBondContact O-CB 3.37Å; L79-I83 VanDerWaalsContact O-CG1 3.27Å; L79-I83 WeakPolarHBondContact O-CG1 3.35Å; L79-I83 PolarHBondContact O-N 3.21Å; P80-I83 PolarHBondContact O-N 3.44Å; I83-N85 PolarHBondContact O-N 2.77Å; I83-F86 PolarHBondContact O-N 3.37Å; I83-V87 HydrophobicContact CG2-CG2 4.16Å; I83-V87 WeakPolarHBondContact O-CB 3.01Å; I83-V87 WeakPolarHBondContact O-CG2 3.27Å; I83-V87 PolarHBondContact O-N 2.87Å
84	I	63.3	Low	61.8	Low	108 Å²	108	89.1 Å²	89.1	55%	0.554	47%	0.467	S	S	*	.	H	α-helix	trans	-63.6	-44.3	179.6	-69.1	163.8	0	0	0	110.5	P80 F86 V87 S88	P80-I84 WeakPolarHBondContact O-CB 3.31Å; P80-I84 WeakPolarHBondContact O-CD1 3.4Å; P80-I84 WeakPolarHBondContact O-CG1 3.27Å; P80-I84 PolarHBondContact O-N 2.81Å; I84-F86 VanDerWaalsContact C-N 3.35Å; I84-V87 PolarHBondContact O-N 3.46Å; I84-S88 WeakPolarHBondContact O-CB 3.31Å; I84-S88 PolarHBondContact O-N 3.15Å
85	N	57.9	Low	60.6	Low	77 Å²	77	88.1 Å²	88.1	41%	0.412	47%	0.469	S	S	.	.	H	α-helix	trans	-65.6	-37.4	175.3	-81	-36.1	0	0	0	112.2	L81 I83 Y89	L81-N85 VanDerWaalsContact O-CB 3.27Å; L81-N85 WeakPolarHBondContact O-CB 3.19Å; L81-N85 PolarHBondContact O-N 3.48Å; L81-N85 PolarHBondContact O-ND2 3.32Å; I83-N85 PolarHBondContact O-N 2.77Å; N85-Y89 WeakPolarHBondContact O-CB 3.47Å; N85-Y89 PolarHBondContact O-N 3.4Å
86	F	60.1	Low	59.6	Low	105 Å²	105	95.5 Å²	95.5	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-46.8	176.2	-172.6	-97.2	0	0	0	111.3	S82 I83 I84 S88 Y89 F90	S82-F86 WeakPolarHBondContact O-CB 3.19Å; S82-F86 PolarHBondContact O-N 3.37Å; I83-F86 PolarHBondContact O-N 3.37Å; I84-F86 VanDerWaalsContact C-N 3.35Å; F86-S88 PolarHBondContact O-N 2.86Å; F86-Y89 PolarHBondContact O-N 3.47Å; F86-F90 HydrophobicContact CE1-CD2 4.26Å; F86-F90 HydrophobicContact CZ-CD2 4.27Å; F86-F90 WeakPolarHBondContact O-CB 3.4Å; F86-F90 PolarHBondContact O-N 3.49Å
87	V	60.6	Low	58.6	Low	85 Å²	85	97.3 Å²	97.3	52%	0.515	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-42	176.1	170.3	0	0	0	0	111	I83 I84 F90 N91	I83-V87 HydrophobicContact CG2-CG2 4.16Å; I83-V87 WeakPolarHBondContact O-CB 3.01Å; I83-V87 WeakPolarHBondContact O-CG2 3.27Å; I83-V87 PolarHBondContact O-N 2.87Å; I84-V87 PolarHBondContact O-N 3.46Å; V87-F90 PolarHBondContact O-N 3.06Å; V87-N91 PolarHBondContact O-N 2.97Å; V87-N91 VanDerWaalsContact O-N 3.17Å
88	S	59	Low	57.9	Low	76 Å²	76	93.9 Å²	93.9	53%	0.531	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-39.5	175.8	-170.8	0	0	0	0	112.2	I84 F86 N91	I84-S88 WeakPolarHBondContact O-CB 3.31Å; I84-S88 PolarHBondContact O-N 3.15Å; F86-S88 PolarHBondContact O-N 2.86Å; S88-N91 PolarHBondContact O-N 3.43Å
89	Y	53.4	Low	57.4	Low	117 Å²	117	97.3 Å²	97.3	46%	0.459	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-40.2	174	-177.8	-97.6	0	0	0	112.3	R4 N85 F86 N91 V92	R4-Y89 PolarHBondContact NH2-OH 2.76Å; N85-Y89 WeakPolarHBondContact O-CB 3.47Å; N85-Y89 PolarHBondContact O-N 3.4Å; F86-Y89 PolarHBondContact O-N 3.47Å; Y89-N91 PolarHBondContact O-N 3.17Å; Y89-V92 PolarHBondContact O-N 2.84Å; Y89-V92 VanDerWaalsContact O-N 3.16Å
90	F	54.8	Low	56.7	Low	66 Å²	66	97.3 Å²	97.3	29%	0.289	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-27.8	177.6	-138.1	-101.3	0	0	0	112.7	F86 V87 V92 A98	F86-F90 HydrophobicContact CE1-CD2 4.26Å; F86-F90 HydrophobicContact CZ-CD2 4.27Å; F86-F90 WeakPolarHBondContact O-CB 3.4Å; F86-F90 PolarHBondContact O-N 3.49Å; V87-F90 PolarHBondContact O-N 3.06Å; F90-V92 VanDerWaalsContact C-N 3.28Å; F90-V92 PolarHBondContact O-N 3.28Å; F90-A98 HydrophobicContact CD2-CB 4.13Å; F90-A98 HydrophobicContact CE1-CB 4.24Å; F90-A98 HydrophobicContact CE2-CB 3Å; F90-A98 HydrophobicContact CZ-CB 3.07Å
91	N	54.7	Low	56.3	Low	139 Å²	139	99.4 Å²	99.4	74%	0.743	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-1.3	177.9	-137.7	-36.4	0	0	0	114.1	V87 S88 Y89	V87-N91 PolarHBondContact O-N 2.97Å; V87-N91 VanDerWaalsContact O-N 3.17Å; S88-N91 PolarHBondContact O-N 3.43Å; Y89-N91 PolarHBondContact O-N 3.17Å
92	V	50.3	Low	55.7	Low	107 Å²	107	97 Å²	97	65%	0.648	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-4.1	-178.7	-176.9	0	0	0	0	114.4	Y89 F90	Y89-V92 PolarHBondContact O-N 2.84Å; Y89-V92 VanDerWaalsContact O-N 3.16Å; F90-V92 VanDerWaalsContact C-N 3.28Å; F90-V92 PolarHBondContact O-N 3.28Å
93	K	46.3	Very low	55.5	Low	138 Å²	138	101.2 Å²	101.2	60%	0.6	54%	0.538	S	S	*	.			trans	-168.8	116.3	165	-111.1	156.6	-177.4	-174.9	0	109	P95	K93-P95 WeakPolarHBondContact O-CD 3.15Å
94	I	46.9	Very low	54.6	Low	143 Å²	143	103.1 Å²	103.1	73%	0.733	55%	0.548	S	S	*	.			trans	-84.5	114.4	174	-54.5	173	0	0	0	107.9
95	P	51.7	Low	53.6	Low	64 Å²	64	105.5 Å²	105.5	42%	0.416	56%	0.561	S	S	.	*			trans	-109.1	141.4	153.1	37.1	-30.8	0	0	0	109.4	K93 I97 A98	K93-P95 WeakPolarHBondContact O-CD 3.15Å; P95-I97 HydrophobicContact CB-CD1 4.04Å; P95-I97 PolarHBondContact O-N 3.31Å; P95-A98 PolarHBondContact O-N 2.86Å
96	E	53.9	Low	52.7	Low	174 Å²	174	107 Å²	107	81%	0.813	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.6	-21	-169.1	-67.5	164.9	142.3	0	0	115.8	A98 M99	E96-A98 VanDerWaalsContact C-N 3.26Å; E96-A98 PolarHBondContact O-N 3.25Å; E96-M99 PolarHBondContact O-N 3.16Å
97	I	55	Low	51.7	Low	124 Å²	124	112.7 Å²	112.7	64%	0.636	61%	0.605	S	S	*	*	H	α-helix	trans	-58.5	-33.6	-177.4	-59.6	99.6	0	0	0	113.2	P95 C100 L101	P95-I97 HydrophobicContact CB-CD1 4.04Å; P95-I97 PolarHBondContact O-N 3.31Å; I97-C100 WeakPolarHBondContact O-CB 3.41Å; I97-C100 PolarHBondContact O-N 3.36Å; I97-L101 PolarHBondContact O-N 3.17Å
98	A	54.3	Low	51.2	Low	19 Å²	19	114.1 Å²	114.1	16%	0.157	61%	0.61	C	S	.	*	H	α-helix	trans	-92	-10.1	-175.5	0	0	0	0	0	114.4	F90 P95 E96 C100 G102	F90-A98 HydrophobicContact CD2-CB 4.13Å; F90-A98 HydrophobicContact CE1-CB 4.24Å; F90-A98 HydrophobicContact CE2-CB 3Å; F90-A98 HydrophobicContact CZ-CB 3.07Å; P95-A98 PolarHBondContact O-N 2.86Å; E96-A98 VanDerWaalsContact C-N 3.26Å; E96-A98 PolarHBondContact O-N 3.25Å; A98-C100 VanDerWaalsContact C-N 3.31Å; A98-G102 PolarHBondContact O-N 2.81Å
99	M	55.5	Low	50.8	Low	143 Å²	143	116.1 Å²	116.1	70%	0.704	61%	0.614	S	S	*	*	H	α-helix	trans	-66.3	-39.8	161.9	-160.1	173.2	-176.1	0	0	109.9	E96 G102 I103	E96-M99 PolarHBondContact O-N 3.16Å; M99-G102 PolarHBondContact O-N 3.2Å; M99-I103 HydrophobicContact CG-CD1 4.47Å; M99-I103 WeakPolarHBondContact O-CD1 3.43Å; M99-I103 VanDerWaalsContact O-CG1 3.28Å; M99-I103 WeakPolarHBondContact O-CG1 3.35Å; M99-I103 PolarHBondContact O-N 2.92Å
100	C	52.9	Low	50.7	Low	94 Å²	94	116.1 Å²	116.1	64%	0.635	62%	0.622	S	S	*	*	H	α-helix	trans	-65.3	-41.8	173.4	-99.1	0	0	0	0	113.3	I97 A98 I103 L104	I97-C100 WeakPolarHBondContact O-CB 3.41Å; I97-C100 PolarHBondContact O-N 3.36Å; A98-C100 VanDerWaalsContact C-N 3.31Å; C100-I103 PolarHBondContact O-N 3.5Å; C100-L104 PolarHBondContact O-N 2.84Å
101	L	58.2	Low	50.4	Low	104 Å²	104	119 Å²	119	55%	0.545	64%	0.642	S	S	.	*	H	α-helix	trans	-67.2	-38.2	177.1	-75.3	172.3	0	0	0	112.6	I97 I103 L104 L105	I97-L101 PolarHBondContact O-N 3.17Å; L101-I103 VanDerWaalsContact C-N 3.33Å; L101-I103 PolarHBondContact O-N 2.99Å; L101-L104 PolarHBondContact O-N 3.47Å; L101-L105 WeakPolarHBondContact O-CB 2.8Å; L101-L105 PolarHBondContact O-N 2.87Å
102	G	52.6	Low	50.2	Low	37 Å²	37	117.8 Å²	117.8	38%	0.381	64%	0.636	S	S	.	*	H	α-helix	trans	-63.9	-36.2	175.9	0	0	0	0	0	113.4	A98 M99 S106	A98-G102 PolarHBondContact O-N 2.81Å; M99-G102 PolarHBondContact O-N 3.2Å; G102-S106 WeakPolarHBondContact O-CB 3.37Å; G102-S106 PolarHBondContact O-N 3.33Å; G102-S106 PolarHBondContact O-OG 2.82Å
103	I	59.1	Low	50.1	Low	115 Å²	115	118.5 Å²	118.5	59%	0.59	64%	0.635	S	S	*	*	H	α-helix	trans	-72.1	-42.2	176.4	-65.7	165.7	0	0	0	111	M99 C100 L101 L105 S106	M99-I103 HydrophobicContact CG-CD1 4.47Å; M99-I103 WeakPolarHBondContact O-CD1 3.43Å; M99-I103 VanDerWaalsContact O-CG1 3.28Å; M99-I103 WeakPolarHBondContact O-CG1 3.35Å; M99-I103 PolarHBondContact O-N 2.92Å; C100-I103 PolarHBondContact O-N 3.5Å; L101-I103 VanDerWaalsContact C-N 3.33Å; L101-I103 PolarHBondContact O-N 2.99Å; I103-L105 VanDerWaalsContact C-N 3.34Å; I103-L105 PolarHBondContact O-N 2.88Å; I103-S106 PolarHBondContact O-N 3.43Å
104	L	47.1	Very low	50.4	Low	131 Å²	131	117.1 Å²	117.1	69%	0.686	64%	0.637	S	S	*	*	H	α-helix	trans	-68.3	-32.5	179.3	-161.8	78.2	0	0	0	112.9	C100 L101 S106 H107	C100-L104 PolarHBondContact O-N 2.84Å; L101-L104 PolarHBondContact O-N 3.47Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-H107 VanDerWaalsContact O-OXT 3.12Å
105	L	40.8	Very low	50.7	Low	158 Å²	158	115.1 Å²	115.1	83%	0.827	63%	0.63	S	S	*	*	H	α-helix	trans	-80.9	-14.2	178	-154.1	75.9	0	0	0	112.9	L101 I103	L101-L105 WeakPolarHBondContact O-CB 2.8Å; L101-L105 PolarHBondContact O-N 2.87Å; I103-L105 VanDerWaalsContact C-N 3.34Å; I103-L105 PolarHBondContact O-N 2.88Å
106	S	40.3	Very low	50.6	Low	109 Å²	109	119.3 Å²	119.3	76%	0.762	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	1	175.8	-58.8	0	0	0	0	113.3	G102 I103 L104	G102-S106 WeakPolarHBondContact O-CB 3.37Å; G102-S106 PolarHBondContact O-N 3.33Å; G102-S106 PolarHBondContact O-OG 2.82Å; I103-S106 PolarHBondContact O-N 3.43Å; L104-S106 VanDerWaalsContact C-N 3.32Å
107	H	37.8	Very low	50.3	Low	224 Å²	224	114.4 Å²	114.4	100%	1.037	63%	0.633	S	S	*	*			trans	-121	0	172.9	-169.6	-56.5	0	0	0	109.6	L104	L104-H107 VanDerWaalsContact O-OXT 3.12Å

Retrieved 107 of 107 residues in 194.3 ms (Link to these results)

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