A0A078BS22_CAEEL Loading...

J domain-containing protein

AlphaFold DB , UniProt , Accession A0A078BS22, Species CAEEL (Caenorhabditis elegans), Gene dnj-30, Length 121 aa.

						>A0A078BS22_CAEEL|A0A078BS22|dnj-30
MSEKKRKLRKDGKEDVIEEDDPAGYKKALWITVTKVFADREKKRKMLEERANEEKRRSTEALVQAAEKRKLAEEFAKNYEESRDERSGSWRNFQAKKAKKEDKGKTLKGAAFKPPKVKLQK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.8	Low	80.6	Confident	150 Å²	150	113.5 Å²	113.5	74%	0.739	51%	0.513	S	S	*	.				0	122	0	-64.8	-58.3	-88.5	0	0	108.4	K5 D15	M1-K5 HydrophobicContact CE-CB 4.43Å; M1-D15 WeakPolarHBondContact CE-OD2 3.35Å
2	S	77.3	Confident	80.6	Confident	49 Å²	49	110.2 Å²	110.2	34%	0.343	53%	0.533	S	S	.	.			trans	-50	140.9	172	159.5	0	0	0	0	109.8	K4 K5 R6	S2-K4 PolarHBondContact O-N 2.71Å; S2-K4 VanDerWaalsContact O-N 3.14Å; S2-K4 PolarHBondContact OG-N 3.09Å; S2-K5 WeakPolarHBondContact O-CA 3Å; S2-K5 WeakPolarHBondContact O-CB 3.09Å; S2-K5 PolarHBondContact O-N 2.79Å; S2-R6 PolarHBondContact O-N 3.13Å
3	E	81.8	Confident	81	Confident	141 Å²	141	112 Å²	112	66%	0.659	54%	0.537	S	S	*	.	H	α-helix	trans	-56.3	-31.4	178.6	-72.7	-149.8	115.7	0	0	112.4	R6 K7	E3-R6 PolarHBondContact O-N 3.44Å; E3-R6 IonicContact OE1-CZ 3.98Å; E3-R6 IonicContact OE1-NH2 2.84Å; E3-R6 PolarHBondContact OE1-NH2 3.39Å; E3-K7 WeakPolarHBondContact O-CB 3.2Å; E3-K7 PolarHBondContact O-N 2.91Å
4	K	81.3	Confident	80.9	Confident	109 Å²	109	115.6 Å²	115.6	47%	0.474	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-45.3	174.9	-65.2	-179.5	-176.5	173.9	0	111.7	S2 K7 L8 I17 E19	S2-K4 PolarHBondContact O-N 2.71Å; S2-K4 VanDerWaalsContact O-N 3.14Å; S2-K4 PolarHBondContact OG-N 3.09Å; K4-K7 PolarHBondContact O-N 3.22Å; K4-L8 WeakPolarHBondContact O-CG 2.95Å; K4-L8 PolarHBondContact O-N 3.28Å; K4-I17 HydrophobicContact CB-CG2 4.12Å; K4-E19 WeakPolarHBondContact CD-OE2 3.45Å; K4-E19 IonicContact NZ-OE1 3.39Å; K4-E19 PolarHBondContact NZ-OE1 3.05Å; K4-E19 IonicContact NZ-OE2 3.41Å; K4-E19 PolarHBondContact NZ-OE2 2.6Å
5	K	82.7	Confident	80.8	Confident	42 Å²	42	111.1 Å²	111.1	18%	0.183	53%	0.533	C	S	.	.	H	α-helix	trans	-59.8	-45.3	173.5	-75.9	-164.6	-179.3	-166.5	0	112.5	M1 S2 K7 L8 R9 D15 I17 D20	M1-K5 HydrophobicContact CE-CB 4.43Å; S2-K5 WeakPolarHBondContact O-CA 3Å; S2-K5 WeakPolarHBondContact O-CB 3.09Å; S2-K5 PolarHBondContact O-N 2.79Å; K5-K7 VanDerWaalsContact C-N 3.28Å; K5-K7 PolarHBondContact O-N 3.09Å; K5-L8 PolarHBondContact O-N 3.4Å; K5-R9 PolarHBondContact O-N 2.84Å; K5-D15 WeakPolarHBondContact CA-OD1 3.28Å; K5-D15 WeakPolarHBondContact CB-OD1 3.3Å; K5-D15 WeakPolarHBondContact CG-OD1 3.28Å; K5-I17 HydrophobicContact CD-CD1 4.38Å; K5-I17 HydrophobicContact CG-CD1 4.11Å; K5-I17 HydrophobicContact CG-CG1 4.36Å; K5-I17 HydrophobicContact CG-CG2 3.78Å; K5-D20 WeakPolarHBondContact CE-OD1 3.08Å; K5-D20 WeakPolarHBondContact CE-OD2 3.14Å; K5-D20 IonicContact NZ-OD1 2.71Å; K5-D20 PolarHBondContact NZ-OD1 2.94Å; K5-D20 IonicContact NZ-OD2 2.79Å; K5-D20 PolarHBondContact NZ-OD2 3.1Å
6	R	83.9	Confident	80.8	Confident	150 Å²	150	110.2 Å²	110.2	57%	0.566	54%	0.536	S	S	*	.	H	α-helix	trans	-59.1	-38.6	175	-174.1	175.2	66.3	168.4	-3.5	112.3	S2 E3 K10	S2-R6 PolarHBondContact O-N 3.13Å; E3-R6 PolarHBondContact O-N 3.44Å; E3-R6 IonicContact OE1-CZ 3.98Å; E3-R6 IonicContact OE1-NH2 2.84Å; E3-R6 PolarHBondContact OE1-NH2 3.39Å; R6-K10 PolarHBondContact O-N 3.31Å
7	K	85	Confident	80.9	Confident	139 Å²	139	104.9 Å²	104.9	60%	0.604	51%	0.511	S	S	*	.	H	α-helix	trans	-71.1	-43.7	178.2	-167.5	173.6	179.5	178.6	0	112.1	E3 K4 K5 R9 K10 D11	E3-K7 WeakPolarHBondContact O-CB 3.2Å; E3-K7 PolarHBondContact O-N 2.91Å; K4-K7 PolarHBondContact O-N 3.22Å; K5-K7 VanDerWaalsContact C-N 3.28Å; K5-K7 PolarHBondContact O-N 3.09Å; K7-R9 PolarHBondContact O-N 3.01Å; K7-K10 WeakPolarHBondContact O-CB 3.35Å; K7-K10 PolarHBondContact O-N 3.45Å; K7-K10 VanDerWaalsContact O-N 3.09Å; K7-D11 PolarHBondContact O-N 3.44Å
8	L	84.9	Confident	80.9	Confident	43 Å²	43	106.6 Å²	106.6	23%	0.225	52%	0.517	C	S	.	.	H	α-helix	trans	-60.9	-42.8	177.6	-71.3	168.7	0	0	0	112.5	K4 K5 K10 D11 G12 K13 I17	K4-L8 WeakPolarHBondContact O-CG 2.95Å; K4-L8 PolarHBondContact O-N 3.28Å; K5-L8 PolarHBondContact O-N 3.4Å; L8-K10 VanDerWaalsContact C-N 3.3Å; L8-K10 PolarHBondContact O-N 2.95Å; L8-D11 CarbonylContact O-C 3.52Å; L8-D11 PolarHBondContact O-N 3.3Å; L8-D11 VanDerWaalsContact O-N 3.13Å; L8-G12 PolarHBondContact O-N 2.97Å; L8-K13 HydrophobicContact CB-CB 4.49Å; L8-K13 HydrophobicContact CD2-CB 4.12Å; L8-K13 HydrophobicContact CD2-CD 4.14Å; L8-K13 PolarHBondContact O-N 3.37Å; L8-I17 HydrophobicContact CD1-CG2 3.71Å
9	R	82.7	Confident	81	Confident	152 Å²	152	103.8 Å²	103.8	57%	0.574	50%	0.504	S	S	*	.	H	α-helix	trans	-61.1	-36.8	173	-76.6	179.6	56.6	-143.7	-4.9	113.2	K5 K7 D11 G12 D15	K5-R9 PolarHBondContact O-N 2.84Å; K7-R9 PolarHBondContact O-N 3.01Å; R9-D11 VanDerWaalsContact C-N 3.3Å; R9-G12 PolarHBondContact O-N 3.2Å; R9-D15 HydrophobicContact CG-CB 4.18Å
10	K	87.4	Confident	81.2	Confident	186 Å²	186	102.6 Å²	102.6	81%	0.809	50%	0.499	S	S	*	.	H	α-helix	trans	-68.5	-33.1	176.1	-171.7	179	178.6	-178.5	0	111.7	R6 K7 L8 G12	R6-K10 PolarHBondContact O-N 3.31Å; K7-K10 WeakPolarHBondContact O-CB 3.35Å; K7-K10 PolarHBondContact O-N 3.45Å; K7-K10 VanDerWaalsContact O-N 3.09Å; L8-K10 VanDerWaalsContact C-N 3.3Å; L8-K10 PolarHBondContact O-N 2.95Å; K10-G12 PolarHBondContact O-N 3.05Å
11	D	85.9	Confident	81.6	Confident	88 Å²	88	102 Å²	102	47%	0.471	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	5.2	178.9	-63.3	-12.7	0	0	0	112.7	K7 L8 R9 K13	K7-D11 PolarHBondContact O-N 3.44Å; L8-D11 CarbonylContact O-C 3.52Å; L8-D11 PolarHBondContact O-N 3.3Å; L8-D11 VanDerWaalsContact O-N 3.13Å; R9-D11 VanDerWaalsContact C-N 3.3Å; D11-K13 HydrophobicContact CB-CD 4.38Å; D11-K13 HydrophobicContact CB-CG 4.36Å; D11-K13 PolarHBondContact O-N 2.97Å
12	G	80.9	Confident	83.4	Confident	73 Å²	73	99.3 Å²	99.3	75%	0.753	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	15.6	-179.1	0	0	0	0	0	114.3	L8 R9 K10	L8-G12 PolarHBondContact O-N 2.97Å; R9-G12 PolarHBondContact O-N 3.2Å; K10-G12 PolarHBondContact O-N 3.05Å
13	K	84.9	Confident	84.1	Confident	134 Å²	134	100.1 Å²	100.1	58%	0.583	50%	0.502	S	S	*	.			trans	-94	161.8	-180	-65.1	178.1	-176.6	174.6	0	110.9	L8 D11	L8-K13 HydrophobicContact CB-CB 4.49Å; L8-K13 HydrophobicContact CD2-CB 4.12Å; L8-K13 HydrophobicContact CD2-CD 4.14Å; L8-K13 PolarHBondContact O-N 3.37Å; D11-K13 HydrophobicContact CB-CD 4.38Å; D11-K13 HydrophobicContact CB-CG 4.36Å; D11-K13 PolarHBondContact O-N 2.97Å
14	E	79.5	Confident	84.5	Confident	163 Å²	163	93.8 Å²	93.8	76%	0.762	47%	0.474	S	S	*	.			trans	-60.9	141.3	177	-150.7	173.5	-173	0	0	111.5	V16	E14-V16 HydrophobicContact CG-CG2 4.09Å; E14-V16 PolarHBondContact O-N 3.32Å
15	D	80.1	Confident	85	Confident	48 Å²	48	95 Å²	95	26%	0.257	48%	0.477	S	S	.	.	S	Bend	trans	-83.9	27.6	-171.2	-159.9	21.3	0	0	0	113.7	M1 K5 R9	M1-D15 WeakPolarHBondContact CE-OD2 3.35Å; K5-D15 WeakPolarHBondContact CA-OD1 3.28Å; K5-D15 WeakPolarHBondContact CB-OD1 3.3Å; K5-D15 WeakPolarHBondContact CG-OD1 3.28Å; R9-D15 HydrophobicContact CG-CB 4.18Å
16	V	80.4	Confident	85.5	Confident	96 Å²	96	100.3 Å²	100.3	58%	0.582	50%	0.5	S	S	*	.			trans	-95	124.2	-178.8	-179.7	0	0	0	0	108.6	E14	E14-V16 HydrophobicContact CG-CG2 4.09Å; E14-V16 PolarHBondContact O-N 3.32Å
17	I	82.6	Confident	85.9	Confident	21 Å²	21	98.6 Å²	98.6	11%	0.108	50%	0.497	C	S	.	.			trans	-112.2	149.9	174.4	59.8	175.8	0	0	0	110.8	K4 K5 L8 E19 D20	K4-I17 HydrophobicContact CB-CG2 4.12Å; K5-I17 HydrophobicContact CD-CD1 4.38Å; K5-I17 HydrophobicContact CG-CD1 4.11Å; K5-I17 HydrophobicContact CG-CG1 4.36Å; K5-I17 HydrophobicContact CG-CG2 3.78Å; L8-I17 HydrophobicContact CD1-CG2 3.71Å; I17-E19 HydrophobicContact CD1-CB 3.98Å; I17-E19 HydrophobicContact CG1-CB 4.23Å; I17-E19 PolarHBondContact O-N 3.14Å; I17-E19 VanDerWaalsContact O-N 3.09Å; I17-D20 HydrophobicContact CG1-CB 4.22Å; I17-D20 VanDerWaalsContact CG1-OD1 3.3Å; I17-D20 WeakPolarHBondContact CG1-OD1 3.48Å; I17-D20 VanDerWaalsContact CG1-OD2 3.28Å; I17-D20 WeakPolarHBondContact CG1-OD2 3.4Å; I17-D20 PolarHBondContact N-OD2 2.92Å; I17-D20 VanDerWaalsContact N-OD2 3.09Å; I17-D20 VanDerWaalsContact O-CB 3.28Å; I17-D20 WeakPolarHBondContact O-CB 3.5Å; I17-D20 PolarHBondContact O-N 3.01Å
18	E	80.6	Confident	86.3	Confident	134 Å²	134	92.9 Å²	92.9	63%	0.626	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-55.6	-29.3	176.5	-169.2	-177.6	166.1	0	0	111.8	D20 D21 G24 K27	E18-D20 VanDerWaalsContact C-N 3.27Å; E18-D20 PolarHBondContact O-N 3.09Å; E18-D21 PolarHBondContact O-N 2.77Å; E18-G24 WeakPolarHBondContact O-CA 3.14Å; E18-K27 IonicContact OE1-NZ 3.19Å; E18-K27 PolarHBondContact OE1-NZ 3.07Å
19	E	83	Confident	86.8	Confident	54 Å²	54	95.1 Å²	95.1	25%	0.252	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-76.7	-7.3	178.9	-64.5	155.1	160	0	0	113.9	K4 I17 D21 A28	K4-E19 WeakPolarHBondContact CD-OE2 3.45Å; K4-E19 IonicContact NZ-OE1 3.39Å; K4-E19 PolarHBondContact NZ-OE1 3.05Å; K4-E19 IonicContact NZ-OE2 3.41Å; K4-E19 PolarHBondContact NZ-OE2 2.6Å; I17-E19 HydrophobicContact CD1-CB 3.98Å; I17-E19 HydrophobicContact CG1-CB 4.23Å; I17-E19 PolarHBondContact O-N 3.14Å; I17-E19 VanDerWaalsContact O-N 3.09Å; E19-D21 VanDerWaalsContact C-N 3.32Å; E19-A28 HydrophobicContact CG-CB 3.81Å
20	D	84.6	Confident	87.4	Confident	79 Å²	79	96.1 Å²	96.1	42%	0.422	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-76	-23.9	173.2	-69.8	-30.7	0	0	0	111.8	K5 I17 E18	K5-D20 WeakPolarHBondContact CE-OD1 3.08Å; K5-D20 WeakPolarHBondContact CE-OD2 3.14Å; K5-D20 IonicContact NZ-OD1 2.71Å; K5-D20 PolarHBondContact NZ-OD1 2.94Å; K5-D20 IonicContact NZ-OD2 2.79Å; K5-D20 PolarHBondContact NZ-OD2 3.1Å; I17-D20 HydrophobicContact CG1-CB 4.22Å; I17-D20 VanDerWaalsContact CG1-OD1 3.3Å; I17-D20 WeakPolarHBondContact CG1-OD1 3.48Å; I17-D20 VanDerWaalsContact CG1-OD2 3.28Å; I17-D20 WeakPolarHBondContact CG1-OD2 3.4Å; I17-D20 PolarHBondContact N-OD2 2.92Å; I17-D20 VanDerWaalsContact N-OD2 3.09Å; I17-D20 VanDerWaalsContact O-CB 3.28Å; I17-D20 WeakPolarHBondContact O-CB 3.5Å; I17-D20 PolarHBondContact O-N 3.01Å; E18-D20 VanDerWaalsContact C-N 3.27Å; E18-D20 PolarHBondContact O-N 3.09Å
21	D	90.3	Very high	87.8	Confident	92 Å²	92	90 Å²	90	49%	0.492	47%	0.466	S	S	.	.	S	Bend	trans	-83	137.5	171.1	177.4	68.2	0	0	0	110.7	E18 E19 A23 G24 Y25	E18-D21 PolarHBondContact O-N 2.77Å; E19-D21 VanDerWaalsContact C-N 3.32Å; D21-A23 PolarHBondContact O-N 2.96Å; D21-A23 VanDerWaalsContact O-N 3.13Å; D21-A23 WeakPolarHBondContact OD2-CA 3.43Å; D21-A23 WeakPolarHBondContact OD2-CB 3.38Å; D21-A23 PolarHBondContact OD2-N 2.89Å; D21-G24 PolarHBondContact O-N 3.47Å; D21-G24 VanDerWaalsContact O-N 3.1Å; D21-Y25 PolarHBondContact O-N 2.94Å
22	P	91.2	Very high	88.3	Confident	92 Å²	92	89.8 Å²	89.8	60%	0.597	47%	0.469	S	S	*	.	H	α-helix	trans	-55.5	-30.7	179.2	-28.8	35.9	0	0	0	114.9	K26	P22-K26 WeakPolarHBondContact O-CG 3.35Å; P22-K26 PolarHBondContact O-N 3.36Å
23	A	91.6	Very high	89	Confident	67 Å²	67	89.5 Å²	89.5	55%	0.554	45%	0.452	S	S	*	.	H	α-helix	trans	-74.1	-42.5	177.5	0	0	0	0	0	111.3	D21 K26 K27	D21-A23 PolarHBondContact O-N 2.96Å; D21-A23 VanDerWaalsContact O-N 3.13Å; D21-A23 WeakPolarHBondContact OD2-CA 3.43Å; D21-A23 WeakPolarHBondContact OD2-CB 3.38Å; D21-A23 PolarHBondContact OD2-N 2.89Å; A23-K26 PolarHBondContact O-N 3.21Å; A23-K27 PolarHBondContact O-N 3.4Å; A23-K27 VanDerWaalsContact O-N 3.12Å
24	G	91	Very high	89.6	Confident	7 Å²	7	86.2 Å²	86.2	7%	0.072	44%	0.443	C	S	.	.	H	α-helix	trans	-64.9	-38.7	175.8	0	0	0	0	0	112.8	E18 D21 K27 A28	E18-G24 WeakPolarHBondContact O-CA 3.14Å; D21-G24 PolarHBondContact O-N 3.47Å; D21-G24 VanDerWaalsContact O-N 3.1Å; G24-K27 PolarHBondContact O-N 3.31Å; G24-A28 WeakPolarHBondContact O-CB 3.23Å; G24-A28 PolarHBondContact O-N 2.97Å
25	Y	91.4	Very high	90.5	Very high	136 Å²	136	84.6 Å²	84.6	53%	0.533	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-47.1	173.9	-175.2	-102.6	0	0	0	112.4	D21 K27 A28 L29	D21-Y25 PolarHBondContact O-N 2.94Å; Y25-K27 VanDerWaalsContact C-N 3.3Å; Y25-K27 PolarHBondContact O-N 3.49Å; Y25-A28 PolarHBondContact O-N 2.87Å; Y25-L29 HydrophobicContact CE1-CD1 4.43Å; Y25-L29 WeakPolarHBondContact O-CB 3.41Å; Y25-L29 PolarHBondContact O-N 3.36Å
26	K	93.3	Very high	91.3	Very high	152 Å²	152	86 Å²	86	66%	0.661	44%	0.444	S	S	*	.	H	α-helix	trans	-58.3	-42.1	177.2	-77.9	175.9	-177.3	178.6	0	112	P22 A23 L29 W30	P22-K26 WeakPolarHBondContact O-CG 3.35Å; P22-K26 PolarHBondContact O-N 3.36Å; A23-K26 PolarHBondContact O-N 3.21Å; K26-L29 PolarHBondContact O-N 3.12Å; K26-W30 WeakPolarHBondContact O-CB 3.47Å; K26-W30 PolarHBondContact O-N 3.42Å
27	K	93.4	Very high	92.1	Very high	115 Å²	115	87.6 Å²	87.6	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-64.2	-46.8	176.3	-178.4	-177.5	172.5	-165.2	0	111.5	E18 A23 G24 Y25 L29 W30 I31	E18-K27 IonicContact OE1-NZ 3.19Å; E18-K27 PolarHBondContact OE1-NZ 3.07Å; A23-K27 PolarHBondContact O-N 3.4Å; A23-K27 VanDerWaalsContact O-N 3.12Å; G24-K27 PolarHBondContact O-N 3.31Å; Y25-K27 VanDerWaalsContact C-N 3.3Å; Y25-K27 PolarHBondContact O-N 3.49Å; K27-L29 VanDerWaalsContact C-N 3.33Å; K27-L29 PolarHBondContact O-N 3.39Å; K27-W30 PolarHBondContact O-N 3.22Å; K27-I31 HydrophobicContact CG-CD1 4.07Å; K27-I31 VanDerWaalsContact O-CG1 3.28Å; K27-I31 WeakPolarHBondContact O-CG1 3.41Å; K27-I31 PolarHBondContact O-N 3.26Å
28	A	92.9	Very high	92.8	Very high	19 Å²	19	89.3 Å²	89.3	16%	0.157	46%	0.461	C	S	.	.	H	α-helix	trans	-62.6	-40.2	178	0	0	0	0	0	112.2	E19 G24 Y25 I31 T32	E19-A28 HydrophobicContact CG-CB 3.81Å; G24-A28 WeakPolarHBondContact O-CB 3.23Å; G24-A28 PolarHBondContact O-N 2.97Å; Y25-A28 PolarHBondContact O-N 2.87Å; A28-I31 PolarHBondContact O-N 3.45Å; A28-T32 WeakPolarHBondContact O-CB 3.31Å; A28-T32 PolarHBondContact O-N 3.22Å; A28-T32 PolarHBondContact O-OG1 3.46Å
29	L	94.1	Very high	93.6	Very high	90 Å²	90	88 Å²	88	47%	0.471	46%	0.458	S	S	.	.	H	α-helix	trans	-61.2	-50.4	174.5	-165.7	86.1	0	0	0	110.7	Y25 K26 K27 I31 T32 V33	Y25-L29 HydrophobicContact CE1-CD1 4.43Å; Y25-L29 WeakPolarHBondContact O-CB 3.41Å; Y25-L29 PolarHBondContact O-N 3.36Å; K26-L29 PolarHBondContact O-N 3.12Å; K27-L29 VanDerWaalsContact C-N 3.33Å; K27-L29 PolarHBondContact O-N 3.39Å; L29-I31 VanDerWaalsContact C-N 3.35Å; L29-I31 PolarHBondContact O-N 3Å; L29-T32 PolarHBondContact O-N 3.13Å; L29-V33 HydrophobicContact CG-CG2 4.44Å; L29-V33 WeakPolarHBondContact O-CB 3.49Å; L29-V33 VanDerWaalsContact O-CG2 3.23Å; L29-V33 WeakPolarHBondContact O-CG2 3.45Å; L29-V33 PolarHBondContact O-N 2.95Å
30	W	96.3	Very high	94.3	Very high	173 Å²	173	94 Å²	94	66%	0.655	48%	0.479	S	S	*	.	H	α-helix	trans	-58.4	-44.6	178.3	177.9	82.7	0	0	0	112.4	K26 K27 T32 T34	K26-W30 WeakPolarHBondContact O-CB 3.47Å; K26-W30 PolarHBondContact O-N 3.42Å; K27-W30 PolarHBondContact O-N 3.22Å; W30-T32 PolarHBondContact O-N 3.36Å; W30-T34 VanDerWaalsContact O-CB 3.3Å; W30-T34 WeakPolarHBondContact O-CB 3.39Å; W30-T34 PolarHBondContact O-N 3.36Å; W30-T34 PolarHBondContact O-OG1 3.28Å
31	I	96	Very high	94.9	Very high	56 Å²	56	93.9 Å²	93.9	29%	0.287	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-47.2	177	-69.1	168.7	0	0	0	110.4	K27 A28 L29 T34 K35	K27-I31 HydrophobicContact CG-CD1 4.07Å; K27-I31 VanDerWaalsContact O-CG1 3.28Å; K27-I31 WeakPolarHBondContact O-CG1 3.41Å; K27-I31 PolarHBondContact O-N 3.26Å; A28-I31 PolarHBondContact O-N 3.45Å; L29-I31 VanDerWaalsContact C-N 3.35Å; L29-I31 PolarHBondContact O-N 3Å; I31-T34 PolarHBondContact O-N 3.38Å; I31-K35 HydrophobicContact CG2-CD 3.9Å; I31-K35 HydrophobicContact CG2-CG 4.44Å; I31-K35 WeakPolarHBondContact O-CB 3.18Å; I31-K35 VanDerWaalsContact O-CG 3.31Å; I31-K35 WeakPolarHBondContact O-CG 3.45Å; I31-K35 PolarHBondContact O-N 3.26Å
32	T	95.5	Very high	95.3	Very high	84 Å²	84	96.3 Å²	96.3	52%	0.515	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-48.7	-177.3	-58	0	0	0	0	110.7	A28 L29 W30 T34 K35 V36	A28-T32 WeakPolarHBondContact O-CB 3.31Å; A28-T32 PolarHBondContact O-N 3.22Å; A28-T32 PolarHBondContact O-OG1 3.46Å; L29-T32 PolarHBondContact O-N 3.13Å; W30-T32 PolarHBondContact O-N 3.36Å; T32-T34 PolarHBondContact O-N 3.07Å; T32-K35 PolarHBondContact O-N 2.97Å; T32-V36 VanDerWaalsContact O-CG2 3.31Å; T32-V36 WeakPolarHBondContact O-CG2 3.31Å; T32-V36 PolarHBondContact O-N 3.3Å
33	V	96.5	Very high	95.6	Very high	68 Å²	68	98.7 Å²	98.7	41%	0.412	48%	0.482	S	S	.	.	H	α-helix	trans	-58.6	-48.7	177.5	172.3	0	0	0	0	110.6	L29 K35 V36 F37	L29-V33 HydrophobicContact CG-CG2 4.44Å; L29-V33 WeakPolarHBondContact O-CB 3.49Å; L29-V33 VanDerWaalsContact O-CG2 3.23Å; L29-V33 WeakPolarHBondContact O-CG2 3.45Å; L29-V33 PolarHBondContact O-N 2.95Å; V33-K35 PolarHBondContact O-N 2.85Å; V33-V36 PolarHBondContact O-N 2.94Å; V33-F37 HydrophobicContact CG1-CD2 3.72Å; V33-F37 HydrophobicContact CG1-CE2 3.55Å; V33-F37 WeakPolarHBondContact O-CD2 3.48Å; V33-F37 PolarHBondContact O-N 3.46Å
34	T	97.5	Very high	95.9	Very high	64 Å²	64	101.2 Å²	101.2	39%	0.393	48%	0.477	S	S	.	.	H	α-helix	trans	-59.9	-44	179.3	-56.1	0	0	0	0	111.9	W30 I31 T32 F37 A38	W30-T34 VanDerWaalsContact O-CB 3.3Å; W30-T34 WeakPolarHBondContact O-CB 3.39Å; W30-T34 PolarHBondContact O-N 3.36Å; W30-T34 PolarHBondContact O-OG1 3.28Å; I31-T34 PolarHBondContact O-N 3.38Å; T32-T34 PolarHBondContact O-N 3.07Å; T34-F37 PolarHBondContact O-N 3.42Å; T34-A38 WeakPolarHBondContact O-CB 3.5Å; T34-A38 PolarHBondContact O-N 2.95Å
35	K	97.4	Very high	96.2	Very high	129 Å²	129	106.6 Å²	106.6	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-62.5	-45.3	177	-75.1	174.9	177.5	176.9	0	112	I31 T32 V33 F37 A38 D39	I31-K35 HydrophobicContact CG2-CD 3.9Å; I31-K35 HydrophobicContact CG2-CG 4.44Å; I31-K35 WeakPolarHBondContact O-CB 3.18Å; I31-K35 VanDerWaalsContact O-CG 3.31Å; I31-K35 WeakPolarHBondContact O-CG 3.45Å; I31-K35 PolarHBondContact O-N 3.26Å; T32-K35 PolarHBondContact O-N 2.97Å; V33-K35 PolarHBondContact O-N 2.85Å; K35-F37 VanDerWaalsContact C-N 3.3Å; K35-F37 PolarHBondContact O-N 2.92Å; K35-A38 PolarHBondContact O-N 3.2Å; K35-D39 WeakPolarHBondContact O-CB 3.44Å; K35-D39 PolarHBondContact O-N 3.4Å
36	V	97.5	Very high	96.5	Very high	77 Å²	77	104.6 Å²	104.6	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-59.4	-42	178.8	169.1	0	0	0	0	111.3	T32 V33 R40	T32-V36 VanDerWaalsContact O-CG2 3.31Å; T32-V36 WeakPolarHBondContact O-CG2 3.31Å; T32-V36 PolarHBondContact O-N 3.3Å; V33-V36 PolarHBondContact O-N 2.94Å; V36-R40 WeakPolarHBondContact O-CG 3.48Å; V36-R40 PolarHBondContact O-N 3Å
37	F	97.6	Very high	96.7	Very high	130 Å²	130	101.6 Å²	101.6	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-67	-43.4	176.3	-79.8	-68.3	0	0	0	112.5	V33 T34 K35 D39 R40 E41	V33-F37 HydrophobicContact CG1-CD2 3.72Å; V33-F37 HydrophobicContact CG1-CE2 3.55Å; V33-F37 WeakPolarHBondContact O-CD2 3.48Å; V33-F37 PolarHBondContact O-N 3.46Å; T34-F37 PolarHBondContact O-N 3.42Å; K35-F37 VanDerWaalsContact C-N 3.3Å; K35-F37 PolarHBondContact O-N 2.92Å; F37-D39 VanDerWaalsContact C-N 3.33Å; F37-D39 PolarHBondContact O-N 3.49Å; F37-R40 PolarHBondContact O-N 2.95Å; F37-E41 WeakPolarHBondContact O-CB 3.3Å; F37-E41 PolarHBondContact O-N 2.73Å
38	A	97.9	Very high	96.9	Very high	58 Å²	58	100.6 Å²	100.6	48%	0.479	48%	0.484	S	S	.	.	H	α-helix	trans	-60.2	-43.5	175.8	0	0	0	0	0	111.8	T34 K35 E41 K42	T34-A38 WeakPolarHBondContact O-CB 3.5Å; T34-A38 PolarHBondContact O-N 2.95Å; K35-A38 PolarHBondContact O-N 3.2Å; A38-E41 PolarHBondContact O-N 3.45Å; A38-K42 WeakPolarHBondContact O-CB 3.28Å; A38-K42 PolarHBondContact O-N 2.98Å
39	D	97.4	Very high	97.1	Very high	106 Å²	106	105.9 Å²	105.9	57%	0.567	51%	0.505	S	S	*	.	H	α-helix	trans	-67.1	-40.7	178.6	-73	-20	0	0	0	112	K35 F37 K42 K43	K35-D39 WeakPolarHBondContact O-CB 3.44Å; K35-D39 PolarHBondContact O-N 3.4Å; F37-D39 VanDerWaalsContact C-N 3.33Å; F37-D39 PolarHBondContact O-N 3.49Å; D39-K42 PolarHBondContact O-N 2.98Å; D39-K43 WeakPolarHBondContact O-CB 3.5Å; D39-K43 PolarHBondContact O-N 3.24Å
40	R	97.3	Very high	97.2	Very high	181 Å²	181	108.6 Å²	108.6	68%	0.683	51%	0.509	S	S	*	.	H	α-helix	trans	-61.6	-44.1	173.2	-80.2	-171.2	90.1	-138.3	10.3	111.5	V36 F37 K43 R44	V36-R40 WeakPolarHBondContact O-CG 3.48Å; V36-R40 PolarHBondContact O-N 3Å; F37-R40 PolarHBondContact O-N 2.95Å; R40-K43 PolarHBondContact O-N 3.44Å; R40-R44 WeakPolarHBondContact O-CB 3.35Å; R40-R44 PolarHBondContact O-N 3.23Å
41	E	97.6	Very high	97.2	Very high	75 Å²	75	103 Å²	103	35%	0.35	50%	0.499	S	S	.	.	H	α-helix	trans	-67.1	-41	-179.6	-178.7	55.2	-159.7	0	0	111.6	F37 A38 K43 R44 K45	F37-E41 WeakPolarHBondContact O-CB 3.3Å; F37-E41 PolarHBondContact O-N 2.73Å; A38-E41 PolarHBondContact O-N 3.45Å; E41-K43 VanDerWaalsContact C-N 3.32Å; E41-K43 PolarHBondContact O-N 3.05Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 3.29Å; E41-R44 IonicContact OE1-CZ 3.26Å; E41-R44 IonicContact OE1-NE 2.74Å; E41-R44 PolarHBondContact OE1-NE 2.91Å; E41-R44 IonicContact OE1-NH2 3.43Å; E41-R44 PolarHBondContact OE1-NH2 2.74Å; E41-R44 IonicContact OE2-CZ 2.6Å; E41-R44 IonicContact OE2-NE 3.86Å; E41-R44 PolarHBondContact OE2-NE 3.35Å; E41-R44 IonicContact OE2-NH2 3.82Å; E41-K45 PolarHBondContact O-N 2.9Å; E41-K45 VanDerWaalsContact OE1-CE 3.25Å; E41-K45 WeakPolarHBondContact OE1-CE 3.38Å
42	K	97.8	Very high	97.2	Very high	143 Å²	143	104.8 Å²	104.8	62%	0.622	51%	0.509	S	S	*	.	H	α-helix	trans	-59.6	-43.7	172.8	-174	176.8	-179.4	178.3	0	111.5	A38 D39 K45 M46	A38-K42 WeakPolarHBondContact O-CB 3.28Å; A38-K42 PolarHBondContact O-N 2.98Å; D39-K42 PolarHBondContact O-N 2.98Å; K42-K45 PolarHBondContact O-N 3.28Å; K42-M46 WeakPolarHBondContact O-CB 3.43Å; K42-M46 PolarHBondContact O-N 2.96Å
43	K	97.8	Very high	97.3	Very high	142 Å²	142	104.3 Å²	104.3	62%	0.617	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-40.4	176.6	-173.2	171.2	-177.8	171.9	0	111.8	D39 R40 E41 M46 L47	D39-K43 WeakPolarHBondContact O-CB 3.5Å; D39-K43 PolarHBondContact O-N 3.24Å; R40-K43 PolarHBondContact O-N 3.44Å; E41-K43 VanDerWaalsContact C-N 3.32Å; E41-K43 PolarHBondContact O-N 3.05Å; K43-M46 PolarHBondContact O-N 3.4Å; K43-L47 HydrophobicContact CG-CD1 4.27Å; K43-L47 WeakPolarHBondContact O-CG 3.38Å; K43-L47 PolarHBondContact O-N 2.86Å
44	R	98.1	Very high	97.2	Very high	120 Å²	120	107.2 Å²	107.2	45%	0.453	51%	0.51	S	S	.	.	H	α-helix	trans	-58.9	-51.2	175.8	-168.8	-167.5	69.7	72.3	4.6	110.9	R40 E41 M46 L47 E48	R40-R44 WeakPolarHBondContact O-CB 3.35Å; R40-R44 PolarHBondContact O-N 3.23Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 3.29Å; E41-R44 IonicContact OE1-CZ 3.26Å; E41-R44 IonicContact OE1-NE 2.74Å; E41-R44 PolarHBondContact OE1-NE 2.91Å; E41-R44 IonicContact OE1-NH2 3.43Å; E41-R44 PolarHBondContact OE1-NH2 2.74Å; E41-R44 IonicContact OE2-CZ 2.6Å; E41-R44 IonicContact OE2-NE 3.86Å; E41-R44 PolarHBondContact OE2-NE 3.35Å; E41-R44 IonicContact OE2-NH2 3.82Å; R44-M46 PolarHBondContact O-N 2.94Å; R44-L47 PolarHBondContact O-N 3.43Å; R44-E48 IonicContact CZ-OE2 3.05Å; R44-E48 IonicContact NH1-OE2 3.65Å; R44-E48 PolarHBondContact NH1-OE2 2.73Å; R44-E48 IonicContact NH2-OE2 2.73Å; R44-E48 WeakPolarHBondContact O-CB 3.45Å; R44-E48 PolarHBondContact O-N 3.47Å
45	K	97.6	Very high	97.1	Very high	120 Å²	120	110.9 Å²	110.9	52%	0.522	52%	0.521	S	S	.	.	H	α-helix	trans	-59.3	-44	177.5	-72.1	-176.6	178.1	-177.4	0	112.6	E41 K42 L47 E48 E49	E41-K45 PolarHBondContact O-N 2.9Å; E41-K45 VanDerWaalsContact OE1-CE 3.25Å; E41-K45 WeakPolarHBondContact OE1-CE 3.38Å; K42-K45 PolarHBondContact O-N 3.28Å; K45-L47 VanDerWaalsContact C-N 3.32Å; K45-L47 PolarHBondContact O-N 3.49Å; K45-E48 PolarHBondContact O-N 2.99Å; K45-E49 WeakPolarHBondContact O-CB 3.25Å; K45-E49 PolarHBondContact O-N 3.43Å
46	M	97.4	Very high	97.1	Very high	95 Å²	95	110.9 Å²	110.9	47%	0.468	52%	0.517	S	S	.	.	H	α-helix	trans	-62	-39.3	178.2	-175.4	-171	-65.3	0	0	112.5	K42 K43 R44 R50	K42-M46 WeakPolarHBondContact O-CB 3.43Å; K42-M46 PolarHBondContact O-N 2.96Å; K43-M46 PolarHBondContact O-N 3.4Å; R44-M46 PolarHBondContact O-N 2.94Å; M46-R50 WeakPolarHBondContact O-CB 3.36Å; M46-R50 PolarHBondContact O-N 3.39Å
47	L	97.4	Very high	97	Very high	88 Å²	88	114.9 Å²	114.9	46%	0.461	52%	0.524	S	S	.	.	H	α-helix	trans	-69.5	-40.5	176.8	-70.9	172	0	0	0	111.7	K43 R44 K45 R50 A51	K43-L47 HydrophobicContact CG-CD1 4.27Å; K43-L47 WeakPolarHBondContact O-CG 3.38Å; K43-L47 PolarHBondContact O-N 2.86Å; R44-L47 PolarHBondContact O-N 3.43Å; K45-L47 VanDerWaalsContact C-N 3.32Å; K45-L47 PolarHBondContact O-N 3.49Å; L47-R50 PolarHBondContact O-N 2.97Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 2.85Å
48	E	96.9	Very high	96.9	Very high	95 Å²	95	111.5 Å²	111.5	44%	0.444	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-45.8	176.1	-174	177.6	176.1	0	0	111.8	R44 K45 R50 A51 N52	R44-E48 IonicContact CZ-OE2 3.05Å; R44-E48 IonicContact NH1-OE2 3.65Å; R44-E48 PolarHBondContact NH1-OE2 2.73Å; R44-E48 IonicContact NH2-OE2 2.73Å; R44-E48 WeakPolarHBondContact O-CB 3.45Å; R44-E48 PolarHBondContact O-N 3.47Å; K45-E48 PolarHBondContact O-N 2.99Å; E48-R50 PolarHBondContact O-N 3.45Å; E48-A51 PolarHBondContact O-N 3.27Å; E48-N52 WeakPolarHBondContact O-CB 3.46Å; E48-N52 PolarHBondContact O-N 2.94Å; E48-N52 PolarHBondContact O-ND2 3.03Å
49	E	96.9	Very high	96.8	Very high	130 Å²	130	112 Å²	112	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-61.1	-45	175.8	-174.5	174.4	-163.8	0	0	111.4	K45 A51 N52 E53	K45-E49 WeakPolarHBondContact O-CB 3.25Å; K45-E49 PolarHBondContact O-N 3.43Å; E49-A51 PolarHBondContact O-N 3.41Å; E49-N52 PolarHBondContact O-N 3.29Å; E49-E53 WeakPolarHBondContact O-CB 3.33Å; E49-E53 PolarHBondContact O-N 3.44Å
50	R	96.6	Very high	96.7	Very high	147 Å²	147	110.7 Å²	110.7	56%	0.555	50%	0.504	S	S	*	.	H	α-helix	trans	-59.9	-44.6	175.7	-176.3	-178.1	-65.3	153.5	0.8	112.1	M46 L47 E48 N52 E53 E54	M46-R50 WeakPolarHBondContact O-CB 3.36Å; M46-R50 PolarHBondContact O-N 3.39Å; L47-R50 PolarHBondContact O-N 2.97Å; E48-R50 PolarHBondContact O-N 3.45Å; R50-N52 VanDerWaalsContact C-N 3.34Å; R50-E53 PolarHBondContact O-N 3.5Å; R50-E54 WeakPolarHBondContact O-CB 3.39Å; R50-E54 PolarHBondContact O-N 3.03Å
51	A	96.7	Very high	96.6	Very high	54 Å²	54	104.6 Å²	104.6	45%	0.446	49%	0.493	S	S	.	.	H	α-helix	trans	-64.2	-40.4	178.8	0	0	0	0	0	111.7	L47 E48 E49 E54 K55	L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 2.85Å; E48-A51 PolarHBondContact O-N 3.27Å; E49-A51 PolarHBondContact O-N 3.41Å; A51-E54 PolarHBondContact O-N 3Å; A51-K55 WeakPolarHBondContact O-CB 3.33Å; A51-K55 PolarHBondContact O-N 3.5Å
52	N	96.8	Very high	96.5	Very high	94 Å²	94	107 Å²	107	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-66.6	-41.6	176	-74.5	-20	0	0	0	112.2	E48 E49 R50 K55 R56	E48-N52 WeakPolarHBondContact O-CB 3.46Å; E48-N52 PolarHBondContact O-N 2.94Å; E48-N52 PolarHBondContact O-ND2 3.03Å; E49-N52 PolarHBondContact O-N 3.29Å; R50-N52 VanDerWaalsContact C-N 3.34Å; N52-K55 PolarHBondContact O-N 3.48Å; N52-R56 WeakPolarHBondContact O-CB 3.48Å; N52-R56 PolarHBondContact O-N 3.33Å
53	E	96.3	Very high	96.4	Very high	74 Å²	74	104.1 Å²	104.1	35%	0.346	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-43.6	176	-168.8	77.4	-128.5	0	0	111.4	E49 R50 R56 R57	E49-E53 WeakPolarHBondContact O-CB 3.33Å; E49-E53 PolarHBondContact O-N 3.44Å; R50-E53 PolarHBondContact O-N 3.5Å; E53-R56 PolarHBondContact O-N 2.69Å; E53-R56 IonicContact OE1-CZ 2.9Å; E53-R56 IonicContact OE1-NE 2.74Å; E53-R56 PolarHBondContact OE1-NE 2.91Å; E53-R56 IonicContact OE1-NH2 3.28Å; E53-R56 PolarHBondContact OE1-NH2 2.85Å; E53-R57 WeakPolarHBondContact O-CB 3.39Å; E53-R57 PolarHBondContact O-N 3.44Å
54	E	94.7	Very high	96.3	Very high	129 Å²	129	102.3 Å²	102.3	60%	0.603	50%	0.495	S	S	*	.	H	α-helix	trans	-66	-43.2	177.9	-174.5	167.9	-155.1	0	0	111.5	R50 A51 R56 R57 S58	R50-E54 WeakPolarHBondContact O-CB 3.39Å; R50-E54 PolarHBondContact O-N 3.03Å; A51-E54 PolarHBondContact O-N 3Å; E54-R56 PolarHBondContact O-N 3.43Å; E54-R57 PolarHBondContact O-N 3.22Å; E54-S58 PolarHBondContact O-N 2.86Å
55	K	95.8	Very high	96.2	Very high	142 Å²	142	99.3 Å²	99.3	62%	0.617	50%	0.496	S	S	*	.	H	α-helix	trans	-58.7	-48.3	172.6	-173.7	178.3	-179.9	-177.7	0	110.7	A51 N52 R57 S58 T59	A51-K55 WeakPolarHBondContact O-CB 3.33Å; A51-K55 PolarHBondContact O-N 3.5Å; N52-K55 PolarHBondContact O-N 3.48Å; K55-R57 PolarHBondContact O-N 3.41Å; K55-S58 PolarHBondContact O-N 3.27Å; K55-S58 PolarHBondContact O-OG 3.23Å; K55-T59 PolarHBondContact O-N 2.84Å; K55-T59 PolarHBondContact O-OG1 3.46Å; K55-T59 VanDerWaalsContact O-OG1 3.09Å
56	R	96.3	Very high	96	Very high	128 Å²	128	96 Å²	96	48%	0.483	49%	0.491	S	S	.	.	H	α-helix	trans	-57.8	-47.4	177.6	-175.1	176.9	77.3	119.8	-13.1	111.5	N52 E53 E54 S58 T59 E60	N52-R56 WeakPolarHBondContact O-CB 3.48Å; N52-R56 PolarHBondContact O-N 3.33Å; E53-R56 PolarHBondContact O-N 2.69Å; E53-R56 IonicContact OE1-CZ 2.9Å; E53-R56 IonicContact OE1-NE 2.74Å; E53-R56 PolarHBondContact OE1-NE 2.91Å; E53-R56 IonicContact OE1-NH2 3.28Å; E53-R56 PolarHBondContact OE1-NH2 2.85Å; E54-R56 PolarHBondContact O-N 3.43Å; R56-S58 VanDerWaalsContact C-N 3.35Å; R56-S58 PolarHBondContact O-N 3.09Å; R56-T59 WeakPolarHBondContact CA-OG1 3.32Å; R56-T59 PolarHBondContact O-N 3.29Å; R56-T59 PolarHBondContact O-OG1 2.92Å; R56-E60 WeakPolarHBondContact CD-OE1 3.43Å; R56-E60 HydrophobicContact CG-CG 4.31Å; R56-E60 VanDerWaalsContact CG-OE1 3.26Å; R56-E60 WeakPolarHBondContact CG-OE1 3.49Å; R56-E60 IonicContact CZ-OE1 3.84Å; R56-E60 IonicContact NE-OE1 3.68Å; R56-E60 IonicContact NH1-OE1 2.99Å; R56-E60 PolarHBondContact NH1-OE1 3.45Å; R56-E60 WeakPolarHBondContact O-CB 3.32Å; R56-E60 VanDerWaalsContact O-CG 3.32Å; R56-E60 WeakPolarHBondContact O-CG 3.32Å; R56-E60 PolarHBondContact O-N 2.92Å
57	R	96.1	Very high	95.9	Very high	161 Å²	161	97.2 Å²	97.2	61%	0.608	50%	0.496	S	S	*	.	H	α-helix	trans	-60.9	-42.9	177.7	-172.4	-179.7	-63.3	148.9	3.8	112	E53 E54 K55 T59 E60 A61	E53-R57 WeakPolarHBondContact O-CB 3.39Å; E53-R57 PolarHBondContact O-N 3.44Å; E54-R57 PolarHBondContact O-N 3.22Å; K55-R57 PolarHBondContact O-N 3.41Å; R57-T59 VanDerWaalsContact C-N 3.35Å; R57-E60 PolarHBondContact O-N 3.34Å; R57-A61 VanDerWaalsContact O-CB 3.32Å; R57-A61 WeakPolarHBondContact O-CB 3.46Å; R57-A61 PolarHBondContact O-N 3.44Å
58	S	95.6	Very high	95.8	Very high	60 Å²	60	100 Å²	100	42%	0.42	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-41.8	177.2	74.8	0	0	0	0	111.7	E54 K55 R56 A61 L62	E54-S58 PolarHBondContact O-N 2.86Å; K55-S58 PolarHBondContact O-N 3.27Å; K55-S58 PolarHBondContact O-OG 3.23Å; R56-S58 VanDerWaalsContact C-N 3.35Å; R56-S58 PolarHBondContact O-N 3.09Å; S58-A61 PolarHBondContact O-N 2.71Å; S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 2.96Å
59	T	95.5	Very high	95.8	Very high	67 Å²	67	103.4 Å²	103.4	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-67.5	-43.4	177	48	0	0	0	0	112	K55 R56 R57 A61 L62 V63	K55-T59 PolarHBondContact O-N 2.84Å; K55-T59 PolarHBondContact O-OG1 3.46Å; K55-T59 VanDerWaalsContact O-OG1 3.09Å; R56-T59 WeakPolarHBondContact CA-OG1 3.32Å; R56-T59 PolarHBondContact O-N 3.29Å; R56-T59 PolarHBondContact O-OG1 2.92Å; R57-T59 VanDerWaalsContact C-N 3.35Å; T59-A61 VanDerWaalsContact C-N 3.33Å; T59-A61 PolarHBondContact O-N 2.73Å; T59-L62 PolarHBondContact O-N 2.74Å; T59-V63 VanDerWaalsContact O-CG2 3.3Å; T59-V63 WeakPolarHBondContact O-CG2 3.3Å; T59-V63 PolarHBondContact O-N 2.96Å
60	E	94.7	Very high	95.7	Very high	80 Å²	80	103.4 Å²	103.4	37%	0.374	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-41.4	176.6	-73.6	173.6	-174.9	0	0	110.9	R56 R57 V63 Q64	R56-E60 WeakPolarHBondContact CD-OE1 3.43Å; R56-E60 HydrophobicContact CG-CG 4.31Å; R56-E60 VanDerWaalsContact CG-OE1 3.26Å; R56-E60 WeakPolarHBondContact CG-OE1 3.49Å; R56-E60 IonicContact CZ-OE1 3.84Å; R56-E60 IonicContact NE-OE1 3.68Å; R56-E60 IonicContact NH1-OE1 2.99Å; R56-E60 PolarHBondContact NH1-OE1 3.45Å; R56-E60 WeakPolarHBondContact O-CB 3.32Å; R56-E60 VanDerWaalsContact O-CG 3.32Å; R56-E60 WeakPolarHBondContact O-CG 3.32Å; R56-E60 PolarHBondContact O-N 2.92Å; R57-E60 PolarHBondContact O-N 3.34Å; E60-V63 PolarHBondContact O-N 3.37Å; E60-Q64 WeakPolarHBondContact O-CB 3.38Å; E60-Q64 WeakPolarHBondContact O-CG 3.32Å; E60-Q64 PolarHBondContact O-N 2.92Å
61	A	96.1	Very high	95.7	Very high	53 Å²	53	102 Å²	102	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-64.1	-41.3	176.5	0	0	0	0	0	112.6	R57 S58 T59 Q64 A65	R57-A61 VanDerWaalsContact O-CB 3.32Å; R57-A61 WeakPolarHBondContact O-CB 3.46Å; R57-A61 PolarHBondContact O-N 3.44Å; S58-A61 PolarHBondContact O-N 2.71Å; T59-A61 VanDerWaalsContact C-N 3.33Å; T59-A61 PolarHBondContact O-N 2.73Å; A61-Q64 PolarHBondContact O-N 3.41Å; A61-A65 WeakPolarHBondContact O-CB 3.32Å; A61-A65 PolarHBondContact O-N 3.19Å
62	L	94.8	Very high	95.6	Very high	125 Å²	125	102.2 Å²	102.2	65%	0.654	52%	0.515	S	S	*	.	H	α-helix	trans	-65	-41.7	176.1	-73.8	172.4	0	0	0	111.8	S58 T59 A65 A66	S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 2.96Å; T59-L62 PolarHBondContact O-N 2.74Å; L62-A65 PolarHBondContact O-N 2.99Å; L62-A66 WeakPolarHBondContact O-CB 3.48Å; L62-A66 PolarHBondContact O-N 3.46Å
63	V	96.3	Very high	95.5	Very high	82 Å²	82	102.3 Å²	102.3	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-48.8	175.6	170.8	0	0	0	0	110.3	T59 E60 A65 A66 E67	T59-V63 VanDerWaalsContact O-CG2 3.3Å; T59-V63 WeakPolarHBondContact O-CG2 3.3Å; T59-V63 PolarHBondContact O-N 2.96Å; E60-V63 PolarHBondContact O-N 3.37Å; V63-A65 VanDerWaalsContact C-N 3.31Å; V63-A65 PolarHBondContact O-N 3.22Å; V63-A66 WeakPolarHBondContact O-CB 3.26Å; V63-A66 PolarHBondContact O-N 2.9Å; V63-A66 VanDerWaalsContact O-N 3.13Å; V63-E67 HydrophobicContact CG1-CG 4.46Å; V63-E67 WeakPolarHBondContact O-CG 3.33Å; V63-E67 PolarHBondContact O-N 3.38Å
64	Q	95.6	Very high	95.4	Very high	105 Å²	105	104.1 Å²	104.1	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-61.3	-38.2	177.5	-73	179.6	16.9	0	0	112.6	E60 A61 E67 K68	E60-Q64 WeakPolarHBondContact O-CB 3.38Å; E60-Q64 WeakPolarHBondContact O-CG 3.32Å; E60-Q64 PolarHBondContact O-N 2.92Å; A61-Q64 PolarHBondContact O-N 3.41Å; Q64-E67 PolarHBondContact O-N 2.84Å; Q64-K68 WeakPolarHBondContact O-CB 3.49Å; Q64-K68 VanDerWaalsContact O-CG 3.27Å; Q64-K68 WeakPolarHBondContact O-CG 3.45Å; Q64-K68 PolarHBondContact O-N 3.27Å
65	A	95.4	Very high	95.4	Very high	57 Å²	57	104.8 Å²	104.8	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-65.1	-41.4	175.5	0	0	0	0	0	111.5	A61 L62 V63 K68 R69	A61-A65 WeakPolarHBondContact O-CB 3.32Å; A61-A65 PolarHBondContact O-N 3.19Å; L62-A65 PolarHBondContact O-N 2.99Å; V63-A65 VanDerWaalsContact C-N 3.31Å; V63-A65 PolarHBondContact O-N 3.22Å; A65-K68 PolarHBondContact O-N 2.96Å; A65-R69 WeakPolarHBondContact O-CB 3.27Å; A65-R69 PolarHBondContact O-N 2.94Å
66	A	94.9	Very high	95.2	Very high	50 Å²	50	100.1 Å²	100.1	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-64.9	-42.2	175.8	0	0	0	0	0	112.1	L62 V63 R69 K70	L62-A66 WeakPolarHBondContact O-CB 3.48Å; L62-A66 PolarHBondContact O-N 3.46Å; V63-A66 WeakPolarHBondContact O-CB 3.26Å; V63-A66 PolarHBondContact O-N 2.9Å; V63-A66 VanDerWaalsContact O-N 3.13Å; A66-R69 WeakPolarHBondContact O-CB 3.41Å; A66-R69 PolarHBondContact O-N 2.96Å; A66-K70 WeakPolarHBondContact O-CG 3.35Å; A66-K70 PolarHBondContact O-N 2.88Å
67	E	95	Very high	95.2	Very high	121 Å²	121	99.9 Å²	99.9	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-63.1	-45.1	175.3	-72.7	178.4	164.6	0	0	111.9	V63 Q64 R69 K70 L71	V63-E67 HydrophobicContact CG1-CG 4.46Å; V63-E67 WeakPolarHBondContact O-CG 3.33Å; V63-E67 PolarHBondContact O-N 3.38Å; Q64-E67 PolarHBondContact O-N 2.84Å; E67-R69 VanDerWaalsContact C-N 3.28Å; E67-R69 PolarHBondContact O-N 3.13Å; E67-K70 PolarHBondContact O-N 3.23Å; E67-L71 WeakPolarHBondContact O-CB 3.42Å; E67-L71 PolarHBondContact O-N 2.89Å
68	K	95.8	Very high	95	Very high	145 Å²	145	96.8 Å²	96.8	63%	0.63	51%	0.508	S	S	*	.	H	α-helix	trans	-59.4	-40.1	174.1	-75.5	175	-177.8	177.3	0	111.8	Q64 A65 L71 A72	Q64-K68 WeakPolarHBondContact O-CB 3.49Å; Q64-K68 VanDerWaalsContact O-CG 3.27Å; Q64-K68 WeakPolarHBondContact O-CG 3.45Å; Q64-K68 PolarHBondContact O-N 3.27Å; A65-K68 PolarHBondContact O-N 2.96Å; K68-L71 PolarHBondContact O-N 3.47Å; K68-A72 WeakPolarHBondContact O-CB 3.46Å; K68-A72 PolarHBondContact O-N 2.99Å
69	R	95.1	Very high	94.8	Very high	168 Å²	168	99.3 Å²	99.3	63%	0.634	51%	0.509	S	S	*	.	H	α-helix	trans	-64.3	-47.3	177	-157.8	-174.2	97.4	-176.8	7.2	111.3	A65 A66 E67 L71 A72 E73	A65-R69 WeakPolarHBondContact O-CB 3.27Å; A65-R69 PolarHBondContact O-N 2.94Å; A66-R69 WeakPolarHBondContact O-CB 3.41Å; A66-R69 PolarHBondContact O-N 2.96Å; E67-R69 VanDerWaalsContact C-N 3.28Å; E67-R69 PolarHBondContact O-N 3.13Å; R69-L71 VanDerWaalsContact C-N 3.35Å; R69-L71 PolarHBondContact O-N 3.37Å; R69-A72 PolarHBondContact O-N 3.35Å; R69-E73 IonicContact CZ-OE1 3.58Å; R69-E73 IonicContact NE-OE1 2.73Å; R69-E73 PolarHBondContact NE-OE1 3.27Å; R69-E73 IonicContact NH2-OE1 3.49Å; R69-E73 PolarHBondContact NH2-OE1 2.92Å; R69-E73 WeakPolarHBondContact O-CG 3.43Å; R69-E73 PolarHBondContact O-N 3.48Å
70	K	96.6	Very high	94.4	Very high	130 Å²	130	102.7 Å²	102.7	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-58.5	-46	175.8	-74.6	-178.7	177.2	-176.8	0	111.7	A66 E67 A72 E73 E74	A66-K70 WeakPolarHBondContact O-CG 3.35Å; A66-K70 PolarHBondContact O-N 2.88Å; E67-K70 PolarHBondContact O-N 3.23Å; K70-A72 VanDerWaalsContact C-N 3.31Å; K70-A72 PolarHBondContact O-N 3.39Å; K70-E73 PolarHBondContact O-N 2.83Å; K70-E74 WeakPolarHBondContact O-CB 3.43Å; K70-E74 WeakPolarHBondContact O-CG 3.34Å; K70-E74 PolarHBondContact O-N 2.89Å
71	L	95.6	Very high	94.1	Very high	116 Å²	116	104.5 Å²	104.5	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-62.8	-38.6	178.5	-173.6	66	0	0	0	112	E67 K68 R69 F75	E67-L71 WeakPolarHBondContact O-CB 3.42Å; E67-L71 PolarHBondContact O-N 2.89Å; K68-L71 PolarHBondContact O-N 3.47Å; R69-L71 VanDerWaalsContact C-N 3.35Å; R69-L71 PolarHBondContact O-N 3.37Å; L71-F75 VanDerWaalsContact O-CB 3.25Å; L71-F75 WeakPolarHBondContact O-CB 3.25Å; L71-F75 PolarHBondContact O-N 3.42Å
72	A	94.5	Very high	93.7	Very high	59 Å²	59	103.6 Å²	103.6	49%	0.488	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-41.5	175.6	0	0	0	0	0	112.1	K68 R69 K70 F75 A76	K68-A72 WeakPolarHBondContact O-CB 3.46Å; K68-A72 PolarHBondContact O-N 2.99Å; R69-A72 PolarHBondContact O-N 3.35Å; K70-A72 VanDerWaalsContact C-N 3.31Å; K70-A72 PolarHBondContact O-N 3.39Å; A72-F75 PolarHBondContact O-N 2.87Å; A72-A76 WeakPolarHBondContact O-CB 3.43Å; A72-A76 PolarHBondContact O-N 3.48Å
73	E	95.3	Very high	93.2	Very high	97 Å²	97	104.9 Å²	104.9	45%	0.453	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-46.2	174.5	-72.6	169.8	-169	0	0	111.1	R69 K70 A76 K77	R69-E73 IonicContact CZ-OE1 3.58Å; R69-E73 IonicContact NE-OE1 2.73Å; R69-E73 PolarHBondContact NE-OE1 3.27Å; R69-E73 IonicContact NH2-OE1 3.49Å; R69-E73 PolarHBondContact NH2-OE1 2.92Å; R69-E73 WeakPolarHBondContact O-CG 3.43Å; R69-E73 PolarHBondContact O-N 3.48Å; K70-E73 PolarHBondContact O-N 2.83Å; E73-A76 PolarHBondContact O-N 3.22Å; E73-K77 WeakPolarHBondContact O-CB 3.38Å; E73-K77 PolarHBondContact O-N 2.93Å
74	E	94.1	Very high	92.3	Very high	112 Å²	112	106.8 Å²	106.8	52%	0.523	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-43.2	175.7	-74	174.3	-172.4	0	0	111.8	K70 K77 N78	K70-E74 WeakPolarHBondContact O-CB 3.43Å; K70-E74 WeakPolarHBondContact O-CG 3.34Å; K70-E74 PolarHBondContact O-N 2.89Å; E74-K77 PolarHBondContact O-N 3.34Å; E74-N78 WeakPolarHBondContact O-CB 3.2Å; E74-N78 PolarHBondContact O-N 2.86Å; E74-N78 PolarHBondContact O-ND2 3.5Å
75	F	93.7	Very high	91.6	Very high	142 Å²	142	109.1 Å²	109.1	62%	0.623	53%	0.534	S	S	*	.	H	α-helix	trans	-62.7	-45.2	176.4	-178.7	-93.7	0	0	0	111.7	L71 A72 N78 Y79	L71-F75 VanDerWaalsContact O-CB 3.25Å; L71-F75 WeakPolarHBondContact O-CB 3.25Å; L71-F75 PolarHBondContact O-N 3.42Å; A72-F75 PolarHBondContact O-N 2.87Å; F75-N78 PolarHBondContact O-N 2.92Å; F75-Y79 WeakPolarHBondContact O-CB 3.35Å; F75-Y79 PolarHBondContact O-N 3.38Å
76	A	93.3	Very high	90.7	Very high	44 Å²	44	111.8 Å²	111.8	36%	0.364	53%	0.531	S	S	.	.	H	α-helix	trans	-61.1	-47.6	177.6	0	0	0	0	0	111	A72 E73 N78 Y79 E80	A72-A76 WeakPolarHBondContact O-CB 3.43Å; A72-A76 PolarHBondContact O-N 3.48Å; E73-A76 PolarHBondContact O-N 3.22Å; A76-N78 PolarHBondContact O-N 3.23Å; A76-Y79 PolarHBondContact O-N 3.45Å; A76-E80 WeakPolarHBondContact O-CG 3.45Å; A76-E80 PolarHBondContact O-N 2.88Å
77	K	95	Very high	89.9	Confident	124 Å²	124	111.3 Å²	111.3	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-58	-51.2	176.6	-176.8	178.1	172.9	-176.5	0	111.7	E73 E74 Y79 E80 E81	E73-K77 WeakPolarHBondContact O-CB 3.38Å; E73-K77 PolarHBondContact O-N 2.93Å; E74-K77 PolarHBondContact O-N 3.34Å; K77-Y79 VanDerWaalsContact C-N 3.28Å; K77-Y79 PolarHBondContact O-N 3.37Å; K77-E80 PolarHBondContact O-N 3.44Å; K77-E81 WeakPolarHBondContact CE-OE1 2.82Å; K77-E81 HydrophobicContact CG-CG 4.41Å; K77-E81 IonicContact NZ-OE1 3.87Å; K77-E81 WeakPolarHBondContact O-CB 3.45Å; K77-E81 WeakPolarHBondContact O-CG 3.34Å; K77-E81 PolarHBondContact O-N 2.9Å
78	N	92.2	Very high	89.2	Confident	96 Å²	96	106.6 Å²	106.6	51%	0.513	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-35.6	178.8	-68.3	-18.2	0	0	0	112.2	E74 F75 A76 S82	E74-N78 WeakPolarHBondContact O-CB 3.2Å; E74-N78 PolarHBondContact O-N 2.86Å; E74-N78 PolarHBondContact O-ND2 3.5Å; F75-N78 PolarHBondContact O-N 2.92Å; A76-N78 PolarHBondContact O-N 3.23Å; N78-S82 VanDerWaalsContact O-CB 3.31Å; N78-S82 WeakPolarHBondContact O-CB 3.5Å; N78-S82 PolarHBondContact O-N 3.24Å; N78-S82 VanDerWaalsContact O-N 3.08Å; N78-S82 PolarHBondContact O-OG 3.42Å
79	Y	90.6	Very high	88.5	Confident	113 Å²	113	103.3 Å²	103.3	44%	0.443	51%	0.505	S	S	.	.	H	α-helix	trans	-67	-42.4	176.9	-177.6	-86.3	0	0	0	111.7	F75 A76 K77 S82 R83 R86	F75-Y79 WeakPolarHBondContact O-CB 3.35Å; F75-Y79 PolarHBondContact O-N 3.38Å; A76-Y79 PolarHBondContact O-N 3.45Å; K77-Y79 VanDerWaalsContact C-N 3.28Å; K77-Y79 PolarHBondContact O-N 3.37Å; Y79-S82 PolarHBondContact O-OG 3.33Å; Y79-S82 VanDerWaalsContact O-OG 3.12Å; Y79-R83 PolarHBondContact O-N 2.98Å; Y79-R86 VanDerWaalsContact CG-NH2 3.29Å; Y79-R86 VanDerWaalsContact CZ-NH2 3.34Å; Y79-R86 PolarHBondContact O-NH2 3.08Å
80	E	87.7	Confident	87.9	Confident	138 Å²	138	102.9 Å²	102.9	65%	0.645	50%	0.503	S	S	*	.	H	α-helix	trans	-70.4	-44.8	177.6	-72.7	-175.9	176.2	0	0	112.1	A76 K77 S82 R83	A76-E80 WeakPolarHBondContact O-CG 3.45Å; A76-E80 PolarHBondContact O-N 2.88Å; K77-E80 PolarHBondContact O-N 3.44Å; E80-S82 VanDerWaalsContact C-N 3.3Å; E80-S82 PolarHBondContact O-N 3.26Å; E80-R83 WeakPolarHBondContact O-CB 3.32Å; E80-R83 PolarHBondContact O-N 3.23Å
81	E	87.9	Confident	87.2	Confident	118 Å²	118	105.3 Å²	105.3	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-60.7	-40.3	177.1	-72.3	176.3	173.2	0	0	111.5	K77 R83	K77-E81 WeakPolarHBondContact CE-OE1 2.82Å; K77-E81 HydrophobicContact CG-CG 4.41Å; K77-E81 IonicContact NZ-OE1 3.87Å; K77-E81 WeakPolarHBondContact O-CB 3.45Å; K77-E81 WeakPolarHBondContact O-CG 3.34Å; K77-E81 PolarHBondContact O-N 2.9Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3Å
82	S	87.6	Confident	86.6	Confident	33 Å²	33	104.8 Å²	104.8	23%	0.231	51%	0.507	C	S	.	.	H	α-helix	trans	-77.9	-1.6	174.9	64.6	0	0	0	0	114.4	N78 Y79 E80 R86	N78-S82 VanDerWaalsContact O-CB 3.31Å; N78-S82 WeakPolarHBondContact O-CB 3.5Å; N78-S82 PolarHBondContact O-N 3.24Å; N78-S82 VanDerWaalsContact O-N 3.08Å; N78-S82 PolarHBondContact O-OG 3.42Å; Y79-S82 PolarHBondContact O-OG 3.33Å; Y79-S82 VanDerWaalsContact O-OG 3.12Å; E80-S82 VanDerWaalsContact C-N 3.3Å; E80-S82 PolarHBondContact O-N 3.26Å; S82-R86 WeakPolarHBondContact O-CB 3.29Å; S82-R86 VanDerWaalsContact O-CG 3.22Å; S82-R86 WeakPolarHBondContact O-CG 3.02Å; S82-R86 PolarHBondContact O-N 2.96Å; S82-R86 PolarHBondContact O-NE 2.85Å; S82-R86 PolarHBondContact OG-NE 2.76Å
83	R	84.5	Confident	86.1	Confident	153 Å²	153	107.4 Å²	107.4	58%	0.577	51%	0.507	S	S	*	.	H	α-helix	trans	-66.2	-45.2	-176.1	-176.7	-173	171	99.2	-0.7	112	Y79 E80 E81 R86 S87	Y79-R83 PolarHBondContact O-N 2.98Å; E80-R83 WeakPolarHBondContact O-CB 3.32Å; E80-R83 PolarHBondContact O-N 3.23Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3Å; R83-R86 PolarHBondContact O-N 3.26Å; R83-S87 VanDerWaalsContact O-CB 3.29Å; R83-S87 WeakPolarHBondContact O-CB 3.22Å; R83-S87 PolarHBondContact O-N 2.76Å; R83-S87 PolarHBondContact O-OG 2.79Å
84	D	77.6	Confident	85.6	Confident	122 Å²	122	106.2 Å²	106.2	65%	0.652	50%	0.502	S	S	*	.	H	α-helix	trans	-70.3	-37.9	-178	-83.8	-3.9	0	0	0	111.5	S87 G88	D84-S87 WeakPolarHBondContact CA-OG 3.44Å; D84-S87 PolarHBondContact O-OG 3.38Å; D84-G88 WeakPolarHBondContact O-CA 3.4Å; D84-G88 PolarHBondContact O-N 2.88Å
85	E	80.6	Confident	85.2	Confident	153 Å²	153	103.3 Å²	103.3	72%	0.715	50%	0.497	S	S	*	.	H	α-helix	trans	-64.2	-44.2	173	-64.4	-173.6	161.1	0	0	112	S89	E85-S89 VanDerWaalsContact O-CB 3.27Å; E85-S89 WeakPolarHBondContact O-CB 3.31Å; E85-S89 PolarHBondContact O-N 3.41Å
86	R	77.6	Confident	84.7	Confident	113 Å²	113	103.9 Å²	103.9	43%	0.426	50%	0.499	S	S	.	.	H	α-helix	trans	-66	-46	177.4	-74.5	-176.2	-65.5	169.8	2.2	112.4	Y79 S82 R83 S89 W90	Y79-R86 VanDerWaalsContact CG-NH2 3.29Å; Y79-R86 VanDerWaalsContact CZ-NH2 3.34Å; Y79-R86 PolarHBondContact O-NH2 3.08Å; S82-R86 WeakPolarHBondContact O-CB 3.29Å; S82-R86 VanDerWaalsContact O-CG 3.22Å; S82-R86 WeakPolarHBondContact O-CG 3.02Å; S82-R86 PolarHBondContact O-N 2.96Å; S82-R86 PolarHBondContact O-NE 2.85Å; S82-R86 PolarHBondContact OG-NE 2.76Å; R83-R86 PolarHBondContact O-N 3.26Å; R86-S89 PolarHBondContact O-N 3.12Å; R86-W90 PolarHBondContact O-N 2.87Å
87	S	76.8	Confident	84.2	Confident	40 Å²	40	106.6 Å²	106.6	28%	0.28	50%	0.502	S	S	.	.	H	α-helix	trans	-69.8	-37.8	179.4	66.8	0	0	0	0	112.1	R83 D84 W90 R91	R83-S87 VanDerWaalsContact O-CB 3.29Å; R83-S87 WeakPolarHBondContact O-CB 3.22Å; R83-S87 PolarHBondContact O-N 2.76Å; R83-S87 PolarHBondContact O-OG 2.79Å; D84-S87 WeakPolarHBondContact CA-OG 3.44Å; D84-S87 PolarHBondContact O-OG 3.38Å; S87-W90 PolarHBondContact O-N 3.39Å; S87-R91 WeakPolarHBondContact O-CG 3.32Å; S87-R91 PolarHBondContact O-N 3.45Å; S87-R91 VanDerWaalsContact O-N 3.12Å
88	G	80.3	Confident	83.5	Confident	22 Å²	22	103.3 Å²	103.3	23%	0.227	50%	0.499	C	S	.	.	H	α-helix	trans	-63	-40.1	172.3	0	0	0	0	0	112.2	D84 W90 R91 N92	D84-G88 WeakPolarHBondContact O-CA 3.4Å; D84-G88 PolarHBondContact O-N 2.88Å; G88-W90 PolarHBondContact O-N 3.37Å; G88-R91 PolarHBondContact O-N 3.28Å; G88-N92 VanDerWaalsContact O-CB 3.23Å; G88-N92 WeakPolarHBondContact O-CB 3.5Å; G88-N92 PolarHBondContact O-N 3.23Å; G88-N92 PolarHBondContact O-ND2 2.84Å
89	S	81.4	Confident	82.8	Confident	77 Å²	77	105.8 Å²	105.8	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-45.1	176.8	-176.2	0	0	0	0	112.4	E85 R86 N92 F93	E85-S89 VanDerWaalsContact O-CB 3.27Å; E85-S89 WeakPolarHBondContact O-CB 3.31Å; E85-S89 PolarHBondContact O-N 3.41Å; R86-S89 PolarHBondContact O-N 3.12Å; S89-N92 PolarHBondContact O-N 3.39Å; S89-F93 WeakPolarHBondContact O-CB 3.23Å; S89-F93 PolarHBondContact O-N 2.87Å
90	W	82.3	Confident	81.9	Confident	158 Å²	158	106.1 Å²	106.1	60%	0.598	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-43.5	176.5	-179.3	-116.9	0	0	0	112.8	R86 S87 G88 N92 F93 Q94	R86-W90 PolarHBondContact O-N 2.87Å; S87-W90 PolarHBondContact O-N 3.39Å; G88-W90 PolarHBondContact O-N 3.37Å; W90-N92 VanDerWaalsContact C-N 3.32Å; W90-N92 PolarHBondContact O-N 3.12Å; W90-F93 HydrophobicContact CE3-CB 4.47Å; W90-F93 AromaticContact CE3-CD1 3.74Å; W90-F93 HydrophobicContact CE3-CD1 3.74Å; W90-F93 HydrophobicContact CE3-CE1 4.44Å; W90-F93 HydrophobicContact CE3-CG 4.42Å; W90-F93 HydrophobicContact CH2-CD1 4.19Å; W90-F93 HydrophobicContact CH2-CE1 4.22Å; W90-F93 AromaticContact CZ3-CD1 3.45Å; W90-F93 HydrophobicContact CZ3-CD1 3.45Å; W90-F93 VanDerWaalsContact CZ3-CD1 3.45Å; W90-F93 AromaticContact CZ3-CE1 3.71Å; W90-F93 HydrophobicContact CZ3-CE1 3.71Å; W90-F93 HydrophobicContact CZ3-CG 4.44Å; W90-F93 WeakPolarHBondContact O-CB 3.27Å; W90-F93 PolarHBondContact O-N 2.9Å; W90-Q94 HydrophobicContact CD2-CG 4.24Å; W90-Q94 HydrophobicContact CZ2-CG 4.09Å; W90-Q94 WeakPolarHBondContact O-CG 3.44Å; W90-Q94 PolarHBondContact O-N 3.23Å
91	R	82.5	Confident	80.9	Confident	181 Å²	181	104.1 Å²	104.1	68%	0.683	50%	0.499	S	S	*	.	H	α-helix	trans	-59.9	-43.7	175	-74.7	176.1	173.9	162.4	-2	111.4	S87 G88 Q94 A95	S87-R91 WeakPolarHBondContact O-CG 3.32Å; S87-R91 PolarHBondContact O-N 3.45Å; S87-R91 VanDerWaalsContact O-N 3.12Å; G88-R91 PolarHBondContact O-N 3.28Å; R91-Q94 PolarHBondContact O-N 3.49Å; R91-A95 VanDerWaalsContact O-CB 3.32Å; R91-A95 WeakPolarHBondContact O-CB 3.47Å; R91-A95 PolarHBondContact O-N 3.47Å
92	N	84.3	Confident	79.9	Confident	106 Å²	106	105.3 Å²	105.3	57%	0.567	51%	0.51	S	S	*	.	H	α-helix	trans	-66.3	-36.8	176.6	-73.5	-22.8	0	0	0	112.3	G88 S89 W90 K96	G88-N92 VanDerWaalsContact O-CB 3.23Å; G88-N92 WeakPolarHBondContact O-CB 3.5Å; G88-N92 PolarHBondContact O-N 3.23Å; G88-N92 PolarHBondContact O-ND2 2.84Å; S89-N92 PolarHBondContact O-N 3.39Å; W90-N92 VanDerWaalsContact C-N 3.32Å; W90-N92 PolarHBondContact O-N 3.12Å; N92-K96 WeakPolarHBondContact O-CB 3.37Å; N92-K96 WeakPolarHBondContact O-CG 3.35Å; N92-K96 PolarHBondContact O-N 3.27Å
93	F	84.1	Confident	79	Confident	114 Å²	114	111.3 Å²	111.3	50%	0.5	53%	0.531	S	S	.	.	H	α-helix	trans	-64.2	-47.7	173.7	175.3	-98.3	0	0	0	111.7	S89 W90 K96 K97	S89-F93 WeakPolarHBondContact O-CB 3.23Å; S89-F93 PolarHBondContact O-N 2.87Å; W90-F93 HydrophobicContact CE3-CB 4.47Å; W90-F93 AromaticContact CE3-CD1 3.74Å; W90-F93 HydrophobicContact CE3-CD1 3.74Å; W90-F93 HydrophobicContact CE3-CE1 4.44Å; W90-F93 HydrophobicContact CE3-CG 4.42Å; W90-F93 HydrophobicContact CH2-CD1 4.19Å; W90-F93 HydrophobicContact CH2-CE1 4.22Å; W90-F93 AromaticContact CZ3-CD1 3.45Å; W90-F93 HydrophobicContact CZ3-CD1 3.45Å; W90-F93 VanDerWaalsContact CZ3-CD1 3.45Å; W90-F93 AromaticContact CZ3-CE1 3.71Å; W90-F93 HydrophobicContact CZ3-CE1 3.71Å; W90-F93 HydrophobicContact CZ3-CG 4.44Å; W90-F93 WeakPolarHBondContact O-CB 3.27Å; W90-F93 PolarHBondContact O-N 2.9Å; F93-K96 PolarHBondContact O-N 2.99Å; F93-K97 PolarHBondContact O-N 2.88Å
94	Q	84.5	Confident	77.7	Confident	72 Å²	72	106.9 Å²	106.9	34%	0.336	53%	0.534	S	S	.	.	H	α-helix	trans	-62.1	-44.5	175.8	-72.8	-63.6	-29.8	0	0	111.7	W90 R91 K96 K97 A98	W90-Q94 HydrophobicContact CD2-CG 4.24Å; W90-Q94 HydrophobicContact CZ2-CG 4.09Å; W90-Q94 WeakPolarHBondContact O-CG 3.44Å; W90-Q94 PolarHBondContact O-N 3.23Å; R91-Q94 PolarHBondContact O-N 3.49Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 3.12Å; Q94-K97 WeakPolarHBondContact O-CB 3.48Å; Q94-K97 PolarHBondContact O-N 3.41Å; Q94-K97 VanDerWaalsContact O-N 3.12Å; Q94-A98 PolarHBondContact O-N 2.93Å
95	A	84.9	Confident	76.8	Confident	51 Å²	51	108.7 Å²	108.7	42%	0.421	54%	0.536	S	S	.	.	H	α-helix	trans	-61.5	-40	175.6	0	0	0	0	0	112.2	R91 K99	R91-A95 VanDerWaalsContact O-CB 3.32Å; R91-A95 WeakPolarHBondContact O-CB 3.47Å; R91-A95 PolarHBondContact O-N 3.47Å; A95-K99 WeakPolarHBondContact O-CB 3.45Å; A95-K99 WeakPolarHBondContact O-CG 3.49Å; A95-K99 PolarHBondContact O-N 2.91Å
96	K	83.7	Confident	75.5	Confident	153 Å²	153	104 Å²	104	67%	0.665	52%	0.517	S	S	*	.	H	α-helix	trans	-65.2	-37.7	172.8	-81	179.6	179.3	177.2	0	112.3	N92 F93 Q94 K100	N92-K96 WeakPolarHBondContact O-CB 3.37Å; N92-K96 WeakPolarHBondContact O-CG 3.35Å; N92-K96 PolarHBondContact O-N 3.27Å; F93-K96 PolarHBondContact O-N 2.99Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 3.12Å; K96-K100 WeakPolarHBondContact O-CG 3.34Å; K96-K100 PolarHBondContact O-N 3.04Å
97	K	82.1	Confident	74.6	Confident	101 Å²	101	105.5 Å²	105.5	44%	0.439	53%	0.533	S	S	.	.	H	α-helix	trans	-64.8	-49.5	175.7	-172.6	-172	173.1	-166.8	0	111	F93 Q94 K99 K100 E101	F93-K97 PolarHBondContact O-N 2.88Å; Q94-K97 WeakPolarHBondContact O-CB 3.48Å; Q94-K97 PolarHBondContact O-N 3.41Å; Q94-K97 VanDerWaalsContact O-N 3.12Å; K97-K99 PolarHBondContact O-N 2.85Å; K97-K100 WeakPolarHBondContact O-CB 3.38Å; K97-K100 PolarHBondContact O-N 2.91Å; K97-E101 PolarHBondContact O-N 3.33Å
98	A	80.3	Confident	73.5	Confident	56 Å²	56	112.8 Å²	112.8	46%	0.463	56%	0.56	S	S	.	*	H	α-helix	trans	-59.3	-44.5	177	0	0	0	0	0	111.9	Q94 K100 E101 D102	Q94-A98 PolarHBondContact O-N 2.93Å; A98-K100 VanDerWaalsContact C-N 3.28Å; A98-K100 PolarHBondContact O-N 3.44Å; A98-E101 PolarHBondContact O-N 3.07Å; A98-D102 WeakPolarHBondContact O-CB 3.47Å; A98-D102 PolarHBondContact O-N 3.09Å
99	K	77.7	Confident	72.2	Confident	147 Å²	147	114.5 Å²	114.5	64%	0.639	58%	0.578	S	S	*	*	H	α-helix	trans	-63.4	-29	173.8	-79.6	-172.3	177.2	-178.3	0	113.7	A95 K97 K103	A95-K99 WeakPolarHBondContact O-CB 3.45Å; A95-K99 WeakPolarHBondContact O-CG 3.49Å; A95-K99 PolarHBondContact O-N 2.91Å; K97-K99 PolarHBondContact O-N 2.85Å; K99-K103 WeakPolarHBondContact O-CB 3.26Å; K99-K103 VanDerWaalsContact O-CG 3.26Å; K99-K103 WeakPolarHBondContact O-CG 3.4Å; K99-K103 PolarHBondContact O-N 3.25Å
100	K	70.9	Confident	71	Confident	120 Å²	120	114.7 Å²	114.7	52%	0.522	58%	0.583	S	S	.	*	H	α-helix	trans	-77.2	-37.1	175.1	-83.8	-174.7	177.9	-176.1	0	111.7	K96 K97 A98 K105	K96-K100 WeakPolarHBondContact O-CG 3.34Å; K96-K100 PolarHBondContact O-N 3.04Å; K97-K100 WeakPolarHBondContact O-CB 3.38Å; K97-K100 PolarHBondContact O-N 2.91Å; A98-K100 VanDerWaalsContact C-N 3.28Å; A98-K100 PolarHBondContact O-N 3.44Å; K100-K105 CarbonylContact O-C 3.1Å; K100-K105 WeakPolarHBondContact O-CA 3.39Å; K100-K105 PolarHBondContact O-N 3.08Å
101	E	68.2	Low	69.9	Low	96 Å²	96	112.3 Å²	112.3	45%	0.449	60%	0.597	S	S	.	*	H	α-helix	trans	-64.9	-45.5	173	-89.2	172.6	171.5	0	0	112.3	K97 A98 K103 G104 T106	K97-E101 PolarHBondContact O-N 3.33Å; A98-E101 PolarHBondContact O-N 3.07Å; E101-K103 VanDerWaalsContact C-N 3.34Å; E101-K103 PolarHBondContact O-N 3.28Å; E101-G104 PolarHBondContact O-N 3.33Å; E101-T106 HydrophobicContact CG-CG2 3.92Å
102	D	66.8	Low	68.9	Low	144 Å²	144	111 Å²	111	77%	0.77	60%	0.597	S	S	*	*	H	α-helix	trans	-62.3	-37.8	176.7	-177.6	66	0	0	0	112.6	A98 G104	A98-D102 WeakPolarHBondContact O-CB 3.47Å; A98-D102 PolarHBondContact O-N 3.09Å; D102-G104 PolarHBondContact O-N 3.07Å; D102-G104 VanDerWaalsContact O-N 3.12Å
103	K	67.5	Low	68.1	Low	158 Å²	158	115.2 Å²	115.2	69%	0.687	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	11.4	173.5	-71	-177.9	179	-169.5	0	114.3	K99 E101 K105	K99-K103 WeakPolarHBondContact O-CB 3.26Å; K99-K103 VanDerWaalsContact O-CG 3.26Å; K99-K103 WeakPolarHBondContact O-CG 3.4Å; K99-K103 PolarHBondContact O-N 3.25Å; E101-K103 VanDerWaalsContact C-N 3.34Å; E101-K103 PolarHBondContact O-N 3.28Å; K103-K105 PolarHBondContact O-N 3.32Å
104	G	58.5	Low	67.3	Low	61 Å²	61	114 Å²	114	63%	0.629	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.5	3.2	-178.4	0	0	0	0	0	114.8	E101 D102 T106	E101-G104 PolarHBondContact O-N 3.33Å; D102-G104 PolarHBondContact O-N 3.07Å; D102-G104 VanDerWaalsContact O-N 3.12Å; G104-T106 PolarHBondContact O-N 2.85Å
105	K	59.1	Low	66.8	Low	159 Å²	159	115.7 Å²	115.7	69%	0.691	63%	0.631	S	S	*	*			trans	-91.9	52.9	174.4	-64	-174.4	-176.3	-173.4	0	109.1	K100 K103 L107	K100-K105 CarbonylContact O-C 3.1Å; K100-K105 WeakPolarHBondContact O-CA 3.39Å; K100-K105 PolarHBondContact O-N 3.08Å; K103-K105 PolarHBondContact O-N 3.32Å; K105-L107 PolarHBondContact O-N 2.74Å
106	T	52.7	Low	66.3	Low	54 Å²	54	122.9 Å²	122.9	33%	0.331	65%	0.653	S	S	.	*			trans	-55.7	140.1	167.1	-33.2	0	0	0	0	107.5	E101 G104 K108	E101-T106 HydrophobicContact CG-CG2 3.92Å; G104-T106 PolarHBondContact O-N 2.85Å; T106-K108 HydrophobicContact CG2-CB 4.48Å; T106-K108 HydrophobicContact CG2-CD 4.47Å; T106-K108 HydrophobicContact CG2-CG 3.88Å; T106-K108 PolarHBondContact O-N 3.05Å
107	L	57.3	Low	65.8	Low	145 Å²	145	122.1 Å²	122.1	76%	0.759	66%	0.661	S	S	*	*	S	Bend	trans	-66.9	38.7	163.3	-107.4	144	0	0	0	111.1	K105 G109	K105-L107 PolarHBondContact O-N 2.74Å; L107-G109 PolarHBondContact O-N 3.12Å
108	K	53.8	Low	65.3	Low	194 Å²	194	126.5 Å²	126.5	84%	0.843	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	63.4	157.1	-79.3	-177.5	176.4	176.9	0	107.3	T106	T106-K108 HydrophobicContact CG2-CB 4.48Å; T106-K108 HydrophobicContact CG2-CD 4.47Å; T106-K108 HydrophobicContact CG2-CG 3.88Å; T106-K108 PolarHBondContact O-N 3.05Å
109	G	54.2	Low	64.6	Low	58 Å²	58	131.8 Å²	131.8	60%	0.598	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.8	1.6	-168.9	0	0	0	0	0	113.9	L107 A111	L107-G109 PolarHBondContact O-N 3.12Å; G109-A111 PolarHBondContact O-N 3.45Å
110	A	55.2	Low	64	Low	80 Å²	80	133.8 Å²	133.8	66%	0.661	71%	0.711	S	S	*	*			trans	-72.4	86.3	149.4	0	0	0	0	0	106.4	F112	A110-F112 PolarHBondContact O-N 3.22Å
111	A	59.8	Low	63	Low	108 Å²	108	141.5 Å²	141.5	89%	0.893	75%	0.745	S	S	*	*			trans	-66.5	34.1	167.7	0	0	0	0	0	111.8	G109	G109-A111 PolarHBondContact O-N 3.45Å
112	F	61.4	Low	62.8	Low	153 Å²	153	143.8 Å²	143.8	67%	0.671	76%	0.759	S	S	*	*			trans	-102.1	90	168.8	-169.6	-104.8	0	0	0	107.5	A110 P114	A110-F112 PolarHBondContact O-N 3.22Å; F112-P114 HydrophobicContact CD1-CG 3.98Å; F112-P114 HydrophobicContact CE1-CB 3.96Å; F112-P114 HydrophobicContact CE1-CG 3.71Å; F112-P114 HydrophobicContact CZ-CB 4.44Å; F112-P114 WeakPolarHBondContact O-CD 3.34Å
113	K	67	Low	62.6	Low	195 Å²	195	143.8 Å²	143.8	85%	0.848	76%	0.759	S	S	*	*			trans	-83.3	110.6	154.9	-89.3	167.7	176	170.4	0	105.6
114	P	68.8	Low	62.3	Low	89 Å²	89	143 Å²	143	58%	0.578	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-52.9	134.9	173.8	-18.6	28	0	0	0	108.6	F112 K116	F112-P114 HydrophobicContact CD1-CG 3.98Å; F112-P114 HydrophobicContact CE1-CB 3.96Å; F112-P114 HydrophobicContact CE1-CG 3.71Å; F112-P114 HydrophobicContact CZ-CB 4.44Å; F112-P114 WeakPolarHBondContact O-CD 3.34Å; P114-K116 PolarHBondContact O-N 2.94Å
115	P	74	Confident	62.5	Low	107 Å²	107	147.8 Å²	147.8	70%	0.695	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-54.2	133.5	177	-22.2	31	0	0	0	109.8	V117	P115-V117 PolarHBondContact O-N 2.99Å; P115-V117 VanDerWaalsContact O-N 3.08Å
116	K	72.8	Confident	62.7	Low	203 Å²	203	147.1 Å²	147.1	88%	0.883	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59.3	117.6	173.7	-78.2	179.4	178.2	177.7	0	108.2	P114 K118	P114-K116 PolarHBondContact O-N 2.94Å; K116-K118 PolarHBondContact O-N 2.81Å; K116-K118 VanDerWaalsContact O-N 3.07Å
117	V	74	Confident	63.4	Low	136 Å²	136	153.3 Å²	153.3	82%	0.824	81%	0.805	S	S	*	*			trans	-59.8	113.6	174.5	-174.7	0	0	0	0	107.5	P115 L119	P115-V117 PolarHBondContact O-N 2.99Å; P115-V117 VanDerWaalsContact O-N 3.08Å; V117-L119 PolarHBondContact O-N 3.46Å
118	K	70.4	Confident	63.8	Low	194 Å²	194	153.9 Å²	153.9	84%	0.843	81%	0.809	S	S	*	*			trans	-75.1	112.2	168.7	-67.7	-177.6	-178.2	178.4	0	106.4	K116 Q120	K116-K118 PolarHBondContact O-N 2.81Å; K116-K118 VanDerWaalsContact O-N 3.07Å; K118-Q120 PolarHBondContact O-N 3Å; K118-Q120 VanDerWaalsContact O-N 3.09Å
119	L	67.3	Low	64.6	Low	167 Å²	167	150.8 Å²	150.8	87%	0.874	81%	0.806	S	S	*	*			trans	-64.2	108	166.5	-138.1	79.5	0	0	0	106.6	V117	V117-L119 PolarHBondContact O-N 3.46Å
120	Q	64.8	Low	65.5	Low	188 Å²	188	158.6 Å²	158.6	88%	0.879	82%	0.823	S	S	*	*			trans	-68.7	132.4	166.9	-75.3	-170.7	-10	0	0	107.6	K118	K118-Q120 PolarHBondContact O-N 3Å; K118-Q120 VanDerWaalsContact O-N 3.09Å
121	K	50.1	Low	66.4	Low	283 Å²	283	165.7 Å²	165.7	100%	1.23	84%	0.838	S	S	*	*			trans	-88.9	0	-179.7	-141	-175.7	-169.2	-175.3	0	109.6

Retrieved 121 of 121 residues in 21.6 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).