Y1730_STAA8 Loading...

UPF0337 protein SAOUHSC_01730

AlphaFold DB , UniProt , Accession Q2FXV1, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 60 aa.

						>Y1730_STAA8|Q2FXV1
MADESKFDQFKGNVKETVGNVTDNKELEKEGQQDKATGKAKEVVENAKNKITDAIDKLKK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.3	Low	73.2	Confident	164 Å²	164	107.3 Å²	107.3	81%	0.808	54%	0.537	S	S	*	.				0	-49.8	0	-117.6	78.5	-177.2	0	113.1	D3 E4 S5	M1-D3 PolarHBondContact O-N 3.45Å; M1-E4 PolarHBondContact O-N 2.95Å; M1-S5 PolarHBondContact O-N 2.84Å; M1-S5 VanDerWaalsContact O-N 3.11Å; M1-S5 PolarHBondContact O-OG 3.25Å; M1-S5 VanDerWaalsContact O-OG 3.07Å
2	A	59.7	Low	74.1	Confident	71 Å²	71	98.3 Å²	98.3	59%	0.587	49%	0.492	S	S	*	.	H	α-helix	trans	-60.2	-42.1	-177.9	0	0	0	0	113.1	S5 K6	A2-S5 PolarHBondContact O-N 3.3Å; A2-K6 PolarHBondContact O-N 2.89Å; A2-K6 VanDerWaalsContact O-N 3.16Å
3	D	67.3	Low	74.8	Confident	132 Å²	132	96.2 Å²	96.2	71%	0.706	48%	0.483	S	S	*	.	H	α-helix	trans	-66.3	-42.2	179.2	-59.8	-85.3	0	0	112.7	M1 S5 K6 F7	M1-D3 PolarHBondContact O-N 3.45Å; D3-S5 PolarHBondContact O-N 3.09Å; D3-K6 PolarHBondContact O-N 3.38Å; D3-F7 VanDerWaalsContact O-CB 3.29Å; D3-F7 WeakPolarHBondContact O-CB 3.21Å; D3-F7 PolarHBondContact O-N 3.44Å
4	E	66.8	Low	75.7	Confident	137 Å²	137	93.8 Å²	93.8	64%	0.64	48%	0.476	S	S	*	.	H	α-helix	trans	-66.2	-40	179.7	-163.4	139.3	70	0	111.3	M1 K6 F7 D8	M1-E4 PolarHBondContact O-N 2.95Å; E4-K6 PolarHBondContact O-N 3.48Å; E4-F7 PolarHBondContact O-N 3.4Å; E4-D8 WeakPolarHBondContact O-CB 3.4Å; E4-D8 PolarHBondContact O-N 2.87Å
5	S	71.8	Confident	76.5	Confident	51 Å²	51	89.9 Å²	89.9	36%	0.357	45%	0.454	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177.6	-55.5	0	0	0	112	M1 A2 D3 D8 Q9	M1-S5 PolarHBondContact O-N 2.84Å; M1-S5 VanDerWaalsContact O-N 3.11Å; M1-S5 PolarHBondContact O-OG 3.25Å; M1-S5 VanDerWaalsContact O-OG 3.07Å; A2-S5 PolarHBondContact O-N 3.3Å; D3-S5 PolarHBondContact O-N 3.09Å; S5-D8 PolarHBondContact O-N 2.78Å; S5-Q9 WeakPolarHBondContact O-CG 3.41Å; S5-Q9 PolarHBondContact O-N 3.47Å
6	K	78.5	Confident	76.9	Confident	152 Å²	152	87.8 Å²	87.8	66%	0.661	44%	0.442	S	S	*	.	H	α-helix	trans	-65.5	-40.7	173.5	-79.1	-173	-174.9	175.7	112.1	A2 D3 E4 D8 Q9 F10	A2-K6 PolarHBondContact O-N 2.89Å; A2-K6 VanDerWaalsContact O-N 3.16Å; D3-K6 PolarHBondContact O-N 3.38Å; E4-K6 PolarHBondContact O-N 3.48Å; K6-D8 VanDerWaalsContact C-N 3.34Å; K6-Q9 PolarHBondContact O-N 2.74Å; K6-F10 WeakPolarHBondContact O-CB 3.32Å; K6-F10 PolarHBondContact O-N 2.73Å
7	F	81.4	Confident	77.5	Confident	125 Å²	125	87.5 Å²	87.5	55%	0.548	45%	0.446	S	S	.	.	H	α-helix	trans	-64.3	-41.5	177.7	-175.1	-97.9	0	0	111.1	D3 E4 F10 K11	D3-F7 VanDerWaalsContact O-CB 3.29Å; D3-F7 WeakPolarHBondContact O-CB 3.21Å; D3-F7 PolarHBondContact O-N 3.44Å; E4-F7 PolarHBondContact O-N 3.4Å; F7-F10 WeakPolarHBondContact O-CB 3.33Å; F7-F10 PolarHBondContact O-N 3.08Å; F7-K11 HydrophobicContact CE1-CD 4.37Å; F7-K11 VanDerWaalsContact O-CB 3.3Å; F7-K11 WeakPolarHBondContact O-CB 3.23Å; F7-K11 PolarHBondContact O-N 3.48Å
8	D	78.5	Confident	78	Confident	61 Å²	61	86.4 Å²	86.4	33%	0.326	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	-42.2	176.1	-131.3	-104.6	0	0	111.4	E4 S5 K6 F10 K11 G12	E4-D8 WeakPolarHBondContact O-CB 3.4Å; E4-D8 PolarHBondContact O-N 2.87Å; S5-D8 PolarHBondContact O-N 2.78Å; K6-D8 VanDerWaalsContact C-N 3.34Å; D8-F10 VanDerWaalsContact C-N 3.35Å; D8-F10 PolarHBondContact O-N 3.07Å; D8-K11 PolarHBondContact O-N 3.2Å; D8-G12 PolarHBondContact O-N 3.27Å
9	Q	78.9	Confident	78.4	Confident	51 Å²	51	81.9 Å²	81.9	24%	0.238	42%	0.422	C	S	.	.	H	α-helix	trans	-61.2	-41.8	171.4	-76	-173.2	-84.9	0	112.6	S5 K6 G12 N13	S5-Q9 WeakPolarHBondContact O-CG 3.41Å; S5-Q9 PolarHBondContact O-N 3.47Å; K6-Q9 PolarHBondContact O-N 2.74Å; Q9-G12 PolarHBondContact O-N 3.16Å; Q9-N13 WeakPolarHBondContact O-CB 3.43Å; Q9-N13 PolarHBondContact O-N 2.79Å
10	F	84.8	Confident	78.7	Confident	135 Å²	135	83.3 Å²	83.3	59%	0.592	43%	0.429	S	S	*	.	H	α-helix	trans	-64.3	-48.5	176.9	177	-99.8	0	0	110.8	K6 F7 D8 G12 N13 V14	K6-F10 WeakPolarHBondContact O-CB 3.32Å; K6-F10 PolarHBondContact O-N 2.73Å; F7-F10 WeakPolarHBondContact O-CB 3.33Å; F7-F10 PolarHBondContact O-N 3.08Å; D8-F10 VanDerWaalsContact C-N 3.35Å; D8-F10 PolarHBondContact O-N 3.07Å; F10-G12 VanDerWaalsContact C-N 3.32Å; F10-G12 PolarHBondContact O-N 2.98Å; F10-N13 PolarHBondContact O-N 2.93Å; F10-V14 HydrophobicContact CD1-CG2 4.24Å; F10-V14 HydrophobicContact CE1-CG2 3.83Å; F10-V14 HydrophobicContact CE2-CG2 4.18Å; F10-V14 HydrophobicContact CZ-CG2 3.8Å; F10-V14 WeakPolarHBondContact O-CG2 3.34Å; F10-V14 PolarHBondContact O-N 3.33Å
11	K	83.1	Confident	79.3	Confident	101 Å²	101	84.8 Å²	84.8	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-60.3	-42	176.8	-171.1	-179.8	-178.3	-176.5	111.3	F7 D8 V14 K15	F7-K11 HydrophobicContact CE1-CD 4.37Å; F7-K11 VanDerWaalsContact O-CB 3.3Å; F7-K11 WeakPolarHBondContact O-CB 3.23Å; F7-K11 PolarHBondContact O-N 3.48Å; D8-K11 PolarHBondContact O-N 3.2Å; K11-V14 PolarHBondContact O-N 3.47Å; K11-K15 WeakPolarHBondContact O-CG 3.32Å; K11-K15 PolarHBondContact O-N 3.33Å
12	G	84.3	Confident	81	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-61.6	-46.1	174.7	0	0	0	0	112.4	D8 Q9 F10 V14 K15 E16 G31	D8-G12 PolarHBondContact O-N 3.27Å; Q9-G12 PolarHBondContact O-N 3.16Å; F10-G12 VanDerWaalsContact C-N 3.32Å; F10-G12 PolarHBondContact O-N 2.98Å; G12-V14 VanDerWaalsContact C-N 3.33Å; G12-V14 PolarHBondContact O-N 2.87Å; G12-K15 PolarHBondContact O-N 2.84Å; G12-E16 WeakPolarHBondContact O-CB 3.21Å; G12-E16 PolarHBondContact O-N 2.93Å; G12-G31 WeakPolarHBondContact O-CA 3.39Å
13	N	83.7	Confident	82.2	Confident	71 Å²	71	84.3 Å²	84.3	38%	0.38	44%	0.437	S	S	.	.	H	α-helix	trans	-61.3	-40.2	173.8	-88	16.3	0	0	112.5	Q9 F10 E16 T17 K35	Q9-N13 WeakPolarHBondContact O-CB 3.43Å; Q9-N13 PolarHBondContact O-N 2.79Å; F10-N13 PolarHBondContact O-N 2.93Å; N13-E16 PolarHBondContact O-N 3.49Å; N13-T17 WeakPolarHBondContact O-CB 3.28Å; N13-T17 PolarHBondContact O-N 2.8Å; N13-T17 PolarHBondContact O-OG1 2.94Å; N13-K35 WeakPolarHBondContact OD1-CE 3.39Å; N13-K35 PolarHBondContact OD1-NZ 3.41Å
14	V	87	Confident	83.3	Confident	62 Å²	62	80.7 Å²	80.7	38%	0.376	42%	0.417	S	S	.	.	H	α-helix	trans	-66.5	-45.8	177	172.8	0	0	0	110.3	F10 K11 G12 E16 T17 V18	F10-V14 HydrophobicContact CD1-CG2 4.24Å; F10-V14 HydrophobicContact CE1-CG2 3.83Å; F10-V14 HydrophobicContact CE2-CG2 4.18Å; F10-V14 HydrophobicContact CZ-CG2 3.8Å; F10-V14 WeakPolarHBondContact O-CG2 3.34Å; F10-V14 PolarHBondContact O-N 3.33Å; K11-V14 PolarHBondContact O-N 3.47Å; G12-V14 VanDerWaalsContact C-N 3.33Å; G12-V14 PolarHBondContact O-N 2.87Å; V14-E16 PolarHBondContact O-N 3.39Å; V14-T17 PolarHBondContact O-N 2.95Å; V14-V18 HydrophobicContact CG1-CG2 4.02Å; V14-V18 VanDerWaalsContact O-CB 3.28Å; V14-V18 WeakPolarHBondContact O-CB 3.44Å; V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 3.48Å
15	K	86.9	Confident	84.2	Confident	36 Å²	36	81 Å²	81	16%	0.157	42%	0.417	C	S	.	.	H	α-helix	trans	-60.3	-42.3	175	-74.8	-173.4	-167.7	174.5	112.1	K11 G12 G19 L27 E30 D34	K11-K15 WeakPolarHBondContact O-CG 3.32Å; K11-K15 PolarHBondContact O-N 3.33Å; G12-K15 PolarHBondContact O-N 2.84Å; K15-G19 WeakPolarHBondContact O-CA 3.27Å; K15-G19 PolarHBondContact O-N 3.07Å; K15-L27 HydrophobicContact CG-CD2 4.5Å; K15-E30 HydrophobicContact CD-CB 4.18Å; K15-E30 IonicContact NZ-OE1 3.48Å; K15-E30 PolarHBondContact NZ-OE1 3.45Å; K15-D34 IonicContact NZ-OD2 2.78Å; K15-D34 PolarHBondContact NZ-OD2 2.84Å; K15-D34 VanDerWaalsContact NZ-OD2 3.11Å
16	E	82.8	Confident	84.9	Confident	55 Å²	55	85.6 Å²	85.6	26%	0.257	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-48	176.6	-175.2	-178.5	85	0	110.5	G12 N13 V14 G19 N20 K35	G12-E16 WeakPolarHBondContact O-CB 3.21Å; G12-E16 PolarHBondContact O-N 2.93Å; N13-E16 PolarHBondContact O-N 3.49Å; V14-E16 PolarHBondContact O-N 3.39Å; E16-G19 PolarHBondContact O-N 3.44Å; E16-N20 VanDerWaalsContact O-CB 3.32Å; E16-N20 WeakPolarHBondContact O-CB 3.05Å; E16-N20 PolarHBondContact O-N 2.89Å; E16-K35 IonicContact OE1-NZ 3.11Å; E16-K35 PolarHBondContact OE1-NZ 3.33Å; E16-K35 IonicContact OE2-NZ 2.98Å; E16-K35 PolarHBondContact OE2-NZ 2.92Å
17	T	88.1	Confident	85.3	Confident	83 Å²	83	80.7 Å²	80.7	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-66.8	-48.8	179.9	-53.4	0	0	0	111.7	N13 V14 G19 N20 V21	N13-T17 WeakPolarHBondContact O-CB 3.28Å; N13-T17 PolarHBondContact O-N 2.8Å; N13-T17 PolarHBondContact O-OG1 2.94Å; V14-T17 PolarHBondContact O-N 2.95Å; T17-G19 VanDerWaalsContact C-N 3.31Å; T17-G19 PolarHBondContact O-N 2.95Å; T17-N20 PolarHBondContact O-N 2.92Å; T17-V21 HydrophobicContact CG2-CG2 4.47Å; T17-V21 WeakPolarHBondContact O-CB 3.43Å; T17-V21 WeakPolarHBondContact O-CG2 3.45Å; T17-V21 PolarHBondContact O-N 3.32Å
18	V	87.1	Confident	85.3	Confident	69 Å²	69	77.8 Å²	77.8	42%	0.418	40%	0.401	S	S	.	.	H	α-helix	trans	-65.1	-38.6	178.5	173.1	0	0	0	110.6	V14 V21 T22	V14-V18 HydrophobicContact CG1-CG2 4.02Å; V14-V18 VanDerWaalsContact O-CB 3.28Å; V14-V18 WeakPolarHBondContact O-CB 3.44Å; V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 3.48Å; V18-V21 PolarHBondContact O-N 3.24Å; V18-T22 VanDerWaalsContact O-CB 3.23Å; V18-T22 WeakPolarHBondContact O-CB 3.32Å; V18-T22 PolarHBondContact O-N 3.43Å; V18-T22 PolarHBondContact O-OG1 2.78Å
19	G	85.6	Confident	85.7	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.01	42%	0.415	C	S	.	.	H	α-helix	trans	-60.3	-51.1	174.3	0	0	0	0	111.4	K15 E16 T17 V21 T22 D23 N24	K15-G19 WeakPolarHBondContact O-CA 3.27Å; K15-G19 PolarHBondContact O-N 3.07Å; E16-G19 PolarHBondContact O-N 3.44Å; T17-G19 VanDerWaalsContact C-N 3.31Å; T17-G19 PolarHBondContact O-N 2.95Å; G19-V21 PolarHBondContact O-N 2.93Å; G19-T22 CarbonylContact O-C 3.48Å; G19-T22 PolarHBondContact O-N 3.49Å; G19-D23 CarbonylContact O-C 3.54Å; G19-D23 WeakPolarHBondContact O-CA 3.25Å; G19-D23 PolarHBondContact O-N 3.4Å; G19-N24 PolarHBondContact O-N 3.29Å
20	N	84.3	Confident	85.9	Confident	108 Å²	108	83.8 Å²	83.8	58%	0.578	43%	0.425	S	S	*	.	H	α-helix	trans	-61.9	-40.9	176.2	-177.8	96.2	0	0	112.1	E16 T17 D23	E16-N20 VanDerWaalsContact O-CB 3.32Å; E16-N20 WeakPolarHBondContact O-CB 3.05Å; E16-N20 PolarHBondContact O-N 2.89Å; T17-N20 PolarHBondContact O-N 2.92Å; N20-D23 PolarHBondContact O-N 2.87Å
21	V	89.7	Confident	85.9	Confident	115 Å²	115	77.3 Å²	77.3	70%	0.697	40%	0.397	S	S	*	.	H	α-helix	trans	-68.3	-36.5	178.4	170.3	0	0	0	112.1	T17 V18 G19 D23	T17-V21 HydrophobicContact CG2-CG2 4.47Å; T17-V21 WeakPolarHBondContact O-CB 3.43Å; T17-V21 WeakPolarHBondContact O-CG2 3.45Å; T17-V21 PolarHBondContact O-N 3.32Å; V18-V21 PolarHBondContact O-N 3.24Å; G19-V21 PolarHBondContact O-N 2.93Å; V21-D23 VanDerWaalsContact C-N 3.33Å
22	T	91	Very high	85.9	Confident	92 Å²	92	78.1 Å²	78.1	56%	0.564	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	4.5	-178.8	-42.9	0	0	0	112.2	V18 G19 N24	V18-T22 VanDerWaalsContact O-CB 3.23Å; V18-T22 WeakPolarHBondContact O-CB 3.32Å; V18-T22 PolarHBondContact O-N 3.43Å; V18-T22 PolarHBondContact O-OG1 2.78Å; G19-T22 CarbonylContact O-C 3.48Å; G19-T22 PolarHBondContact O-N 3.49Å; T22-N24 PolarHBondContact O-N 2.87Å; T22-N24 VanDerWaalsContact O-N 3.09Å
23	D	85.7	Confident	86	Confident	134 Å²	134	84.7 Å²	84.7	72%	0.717	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	27.5	-169.4	-143.2	-95.1	0	0	113.4	G19 N20 V21 K25	G19-D23 CarbonylContact O-C 3.54Å; G19-D23 WeakPolarHBondContact O-CA 3.25Å; G19-D23 PolarHBondContact O-N 3.4Å; N20-D23 PolarHBondContact O-N 2.87Å; V21-D23 VanDerWaalsContact C-N 3.33Å; D23-K25 PolarHBondContact O-N 3.48Å
24	N	88.5	Confident	85.8	Confident	56 Å²	56	83.8 Å²	83.8	30%	0.299	43%	0.428	S	S	.	.			trans	-89.4	92.6	-179.3	-167.9	-1.1	0	0	110.5	G19 T22 E26 L27 E28	G19-N24 PolarHBondContact O-N 3.29Å; T22-N24 PolarHBondContact O-N 2.87Å; T22-N24 VanDerWaalsContact O-N 3.09Å; N24-E26 PolarHBondContact O-N 2.77Å; N24-E26 VanDerWaalsContact O-N 3.16Å; N24-E26 PolarHBondContact OD1-N 3.44Å; N24-L27 HydrophobicContact CB-CB 4.31Å; N24-L27 HydrophobicContact CB-CD1 4.24Å; N24-L27 HydrophobicContact CB-CG 4.45Å; N24-L27 WeakPolarHBondContact ND2-CD1 3.29Å; N24-L27 WeakPolarHBondContact ND2-CG 3.39Å; N24-L27 PolarHBondContact O-N 3.21Å; N24-E28 PolarHBondContact O-N 3.11Å; N24-E28 VanDerWaalsContact O-N 3.07Å
25	K	86.4	Confident	85.5	Confident	144 Å²	144	83.1 Å²	83.1	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-53.7	-29.8	176.7	-87.9	175.5	173.9	121.1	114.3	D23 K29	D23-K25 PolarHBondContact O-N 3.48Å; K25-K29 WeakPolarHBondContact O-CB 3.44Å; K25-K29 VanDerWaalsContact O-CG 3.32Å; K25-K29 WeakPolarHBondContact O-CG 3.41Å; K25-K29 PolarHBondContact O-N 2.86Å; K25-K29 VanDerWaalsContact O-N 3.08Å
26	E	86.8	Confident	85.3	Confident	147 Å²	147	84.1 Å²	84.1	69%	0.687	44%	0.435	S	S	*	.	H	α-helix	trans	-70.6	-47.7	179.3	-63.9	-173.7	91	0	111	N24 E28 K29 E30	N24-E26 PolarHBondContact O-N 2.77Å; N24-E26 VanDerWaalsContact O-N 3.16Å; N24-E26 PolarHBondContact OD1-N 3.44Å; E26-E28 PolarHBondContact O-N 2.78Å; E26-K29 PolarHBondContact O-N 2.99Å; E26-E30 PolarHBondContact O-N 3.38Å
27	L	85.8	Confident	85.4	Confident	48 Å²	48	85.3 Å²	85.3	25%	0.251	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-39	176.8	-75	177.5	0	0	112.4	K15 N24 G31	K15-L27 HydrophobicContact CG-CD2 4.5Å; N24-L27 HydrophobicContact CB-CB 4.31Å; N24-L27 HydrophobicContact CB-CD1 4.24Å; N24-L27 HydrophobicContact CB-CG 4.45Å; N24-L27 WeakPolarHBondContact ND2-CD1 3.29Å; N24-L27 WeakPolarHBondContact ND2-CG 3.39Å; N24-L27 PolarHBondContact O-N 3.21Å; L27-G31 PolarHBondContact O-N 2.78Å
28	E	82.9	Confident	85.1	Confident	64 Å²	64	82.5 Å²	82.5	30%	0.299	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-48.4	174.8	-175.8	-175	87.7	0	111.4	N24 E26 G31 Q32	N24-E28 PolarHBondContact O-N 3.11Å; N24-E28 VanDerWaalsContact O-N 3.07Å; E26-E28 PolarHBondContact O-N 2.78Å; E28-G31 PolarHBondContact O-N 3.45Å; E28-Q32 WeakPolarHBondContact O-CB 3.5Å; E28-Q32 PolarHBondContact O-N 2.85Å
29	K	87	Confident	84.8	Confident	142 Å²	142	84.5 Å²	84.5	62%	0.617	44%	0.437	S	S	*	.	H	α-helix	trans	-62.7	-45.1	178.5	-80.4	-176.9	-179.5	-175.2	112.5	K25 E26 Q32 Q33	K25-K29 WeakPolarHBondContact O-CB 3.44Å; K25-K29 VanDerWaalsContact O-CG 3.32Å; K25-K29 WeakPolarHBondContact O-CG 3.41Å; K25-K29 PolarHBondContact O-N 2.86Å; K25-K29 VanDerWaalsContact O-N 3.08Å; E26-K29 PolarHBondContact O-N 2.99Å; K29-Q32 PolarHBondContact O-N 3.4Å; K29-Q33 VanDerWaalsContact O-CB 3.27Å; K29-Q33 WeakPolarHBondContact O-CB 3.27Å; K29-Q33 PolarHBondContact O-N 3.48Å
30	E	83	Confident	84.8	Confident	96 Å²	96	87.1 Å²	87.1	45%	0.449	46%	0.458	S	S	.	.	H	α-helix	trans	-58.3	-49.8	174.9	-87.8	-168.5	67.3	0	111.1	K15 E26 Q32 Q33 D34	K15-E30 HydrophobicContact CD-CB 4.18Å; K15-E30 IonicContact NZ-OE1 3.48Å; K15-E30 PolarHBondContact NZ-OE1 3.45Å; E26-E30 PolarHBondContact O-N 3.38Å; E30-Q32 VanDerWaalsContact C-N 3.34Å; E30-Q32 PolarHBondContact O-N 2.96Å; E30-Q33 PolarHBondContact O-N 3.45Å; E30-D34 WeakPolarHBondContact O-CB 3.35Å; E30-D34 PolarHBondContact O-N 2.8Å
31	G	83.6	Confident	84.8	Confident	0 Å²	0	88.2 Å²	88.2	0%	0	46%	0.458	C	S	.	.	H	α-helix	trans	-59.5	-43.2	-179.8	0	0	0	0	112.9	G12 L27 E28 K35	G12-G31 WeakPolarHBondContact O-CA 3.39Å; L27-G31 PolarHBondContact O-N 2.78Å; E28-G31 PolarHBondContact O-N 3.45Å; G31-K35 VanDerWaalsContact O-CB 3.25Å; G31-K35 WeakPolarHBondContact O-CB 3.4Å; G31-K35 PolarHBondContact O-N 3.23Å; G31-K35 VanDerWaalsContact O-N 3.07Å
32	Q	83.4	Confident	84.4	Confident	117 Å²	117	87.1 Å²	87.1	55%	0.547	45%	0.445	S	S	.	.	H	α-helix	trans	-65.2	-43.1	176.3	-170.6	-173.8	108.1	0	111.8	E28 K29 E30 K35 A36	E28-Q32 WeakPolarHBondContact O-CB 3.5Å; E28-Q32 PolarHBondContact O-N 2.85Å; K29-Q32 PolarHBondContact O-N 3.4Å; E30-Q32 VanDerWaalsContact C-N 3.34Å; E30-Q32 PolarHBondContact O-N 2.96Å; Q32-K35 PolarHBondContact O-N 2.81Å; Q32-A36 VanDerWaalsContact O-CB 3.29Å; Q32-A36 WeakPolarHBondContact O-CB 3.3Å; Q32-A36 PolarHBondContact O-N 3.39Å
33	Q	85.8	Confident	84.2	Confident	138 Å²	138	87.2 Å²	87.2	65%	0.645	45%	0.445	S	S	*	.	H	α-helix	trans	-69.4	-42.1	-178.4	-167.3	-178.9	-57.2	0	112	K29 E30 A36 T37	K29-Q33 VanDerWaalsContact O-CB 3.27Å; K29-Q33 WeakPolarHBondContact O-CB 3.27Å; K29-Q33 PolarHBondContact O-N 3.48Å; E30-Q33 PolarHBondContact O-N 3.45Å; Q33-A36 PolarHBondContact O-N 3.49Å; Q33-T37 VanDerWaalsContact O-CB 3.27Å; Q33-T37 WeakPolarHBondContact O-CB 3.37Å; Q33-T37 PolarHBondContact O-N 3.4Å; Q33-T37 PolarHBondContact O-OG1 2.88Å
34	D	81.5	Confident	84.4	Confident	53 Å²	53	84.8 Å²	84.8	28%	0.283	44%	0.435	S	S	.	.	H	α-helix	trans	-58.7	-47.6	173.2	-84.1	-46	0	0	110	K15 E30 A36 T37 G38	K15-D34 IonicContact NZ-OD2 2.78Å; K15-D34 PolarHBondContact NZ-OD2 2.84Å; K15-D34 VanDerWaalsContact NZ-OD2 3.11Å; E30-D34 WeakPolarHBondContact O-CB 3.35Å; E30-D34 PolarHBondContact O-N 2.8Å; D34-A36 PolarHBondContact O-N 3.49Å; D34-T37 PolarHBondContact O-N 3.35Å; D34-G38 PolarHBondContact O-N 3.36Å
35	K	79.4	Confident	84.3	Confident	47 Å²	47	86.9 Å²	86.9	20%	0.204	44%	0.443	C	S	.	.	H	α-helix	trans	-63.4	-42.8	178.3	-170.7	-177.1	-170.3	167.5	112.7	N13 E16 G31 Q32 K39	N13-K35 WeakPolarHBondContact OD1-CE 3.39Å; N13-K35 PolarHBondContact OD1-NZ 3.41Å; E16-K35 IonicContact OE1-NZ 3.11Å; E16-K35 PolarHBondContact OE1-NZ 3.33Å; E16-K35 IonicContact OE2-NZ 2.98Å; E16-K35 PolarHBondContact OE2-NZ 2.92Å; G31-K35 VanDerWaalsContact O-CB 3.25Å; G31-K35 WeakPolarHBondContact O-CB 3.4Å; G31-K35 PolarHBondContact O-N 3.23Å; G31-K35 VanDerWaalsContact O-N 3.07Å; Q32-K35 PolarHBondContact O-N 2.81Å; K35-K39 WeakPolarHBondContact O-CB 3.22Å; K35-K39 WeakPolarHBondContact O-CG 3.27Å; K35-K39 PolarHBondContact O-N 3.25Å
36	A	83.8	Confident	84.3	Confident	57 Å²	57	84.2 Å²	84.2	47%	0.471	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-45.6	178	0	0	0	0	111.2	Q32 Q33 D34 K39 A40	Q32-A36 VanDerWaalsContact O-CB 3.29Å; Q32-A36 WeakPolarHBondContact O-CB 3.3Å; Q32-A36 PolarHBondContact O-N 3.39Å; Q33-A36 PolarHBondContact O-N 3.49Å; D34-A36 PolarHBondContact O-N 3.49Å; A36-K39 PolarHBondContact O-N 2.85Å; A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.5Å; A36-A40 PolarHBondContact O-N 3.16Å
37	T	83.3	Confident	84.4	Confident	81 Å²	81	79.4 Å²	79.4	50%	0.497	42%	0.421	S	S	.	.	H	α-helix	trans	-64.9	-43.8	178.2	-55.6	0	0	0	110.9	Q33 D34 A40 K41	Q33-T37 VanDerWaalsContact O-CB 3.27Å; Q33-T37 WeakPolarHBondContact O-CB 3.37Å; Q33-T37 PolarHBondContact O-N 3.4Å; Q33-T37 PolarHBondContact O-OG1 2.88Å; D34-T37 PolarHBondContact O-N 3.35Å; T37-A40 PolarHBondContact O-N 3.49Å; T37-K41 VanDerWaalsContact O-CB 3.22Å; T37-K41 WeakPolarHBondContact O-CB 3.24Å; T37-K41 PolarHBondContact O-N 2.88Å
38	G	81.9	Confident	84.6	Confident	24 Å²	24	83.9 Å²	83.9	25%	0.247	44%	0.438	C	S	.	.	H	α-helix	trans	-60.1	-49.5	176.2	0	0	0	0	112.3	D34 K41 E42	D34-G38 PolarHBondContact O-N 3.36Å; G38-K41 PolarHBondContact O-N 3.07Å; G38-E42 WeakPolarHBondContact O-CB 3.29Å; G38-E42 PolarHBondContact O-N 3.11Å
39	K	82.5	Confident	84.9	Confident	111 Å²	111	85.6 Å²	85.6	48%	0.483	45%	0.45	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176	-75.8	-171.9	175.9	-160.2	112.5	K35 A36 K41 E42 V43	K35-K39 WeakPolarHBondContact O-CB 3.22Å; K35-K39 WeakPolarHBondContact O-CG 3.27Å; K35-K39 PolarHBondContact O-N 3.25Å; A36-K39 PolarHBondContact O-N 2.85Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K39-K41 PolarHBondContact O-N 3.49Å; K39-E42 PolarHBondContact O-N 3.39Å; K39-V43 WeakPolarHBondContact O-CB 3.37Å; K39-V43 VanDerWaalsContact O-CG2 3.27Å; K39-V43 WeakPolarHBondContact O-CG2 3.23Å; K39-V43 PolarHBondContact O-N 3.37Å
40	A	84.6	Confident	85	Confident	55 Å²	55	86.6 Å²	86.6	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-43.9	178.4	0	0	0	0	111	A36 T37 V43 V44	A36-A40 VanDerWaalsContact O-CB 3.24Å; A36-A40 WeakPolarHBondContact O-CB 3.5Å; A36-A40 PolarHBondContact O-N 3.16Å; T37-A40 PolarHBondContact O-N 3.49Å; A40-V43 PolarHBondContact O-N 2.78Å; A40-V44 WeakPolarHBondContact O-CB 3.37Å; A40-V44 VanDerWaalsContact O-CG2 3.23Å; A40-V44 WeakPolarHBondContact O-CG2 3.28Å; A40-V44 PolarHBondContact O-N 3.41Å
41	K	84.2	Confident	85.5	Confident	132 Å²	132	86.8 Å²	86.8	57%	0.574	46%	0.457	S	S	*	.	H	α-helix	trans	-63.1	-44.5	176.6	-165.5	177.6	-172.2	-172.7	111.3	T37 G38 K39 V43 V44 E45	T37-K41 VanDerWaalsContact O-CB 3.22Å; T37-K41 WeakPolarHBondContact O-CB 3.24Å; T37-K41 PolarHBondContact O-N 2.88Å; G38-K41 PolarHBondContact O-N 3.07Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K39-K41 PolarHBondContact O-N 3.49Å; K41-V43 PolarHBondContact O-N 3.39Å; K41-V44 PolarHBondContact O-N 2.89Å; K41-E45 WeakPolarHBondContact O-CB 3.41Å; K41-E45 PolarHBondContact O-N 3.5Å
42	E	82.4	Confident	85.8	Confident	91 Å²	91	91.1 Å²	91.1	43%	0.425	48%	0.483	S	S	.	.	H	α-helix	trans	-61.7	-43.6	176.8	-170	-175.9	93.6	0	111.8	G38 K39 E45 N46	G38-E42 WeakPolarHBondContact O-CB 3.29Å; G38-E42 PolarHBondContact O-N 3.11Å; K39-E42 PolarHBondContact O-N 3.39Å; E42-E45 PolarHBondContact O-N 2.9Å; E42-N46 WeakPolarHBondContact O-CB 3.24Å; E42-N46 VanDerWaalsContact O-CG 3.31Å; E42-N46 PolarHBondContact O-N 2.82Å; E42-N46 PolarHBondContact O-ND2 3.32Å
43	V	86.1	Confident	86.2	Confident	95 Å²	95	89.4 Å²	89.4	58%	0.576	48%	0.478	S	S	*	.	H	α-helix	trans	-65.1	-45.9	177.2	172	0	0	0	111.2	K39 A40 K41 A47	K39-V43 WeakPolarHBondContact O-CB 3.37Å; K39-V43 VanDerWaalsContact O-CG2 3.27Å; K39-V43 WeakPolarHBondContact O-CG2 3.23Å; K39-V43 PolarHBondContact O-N 3.37Å; A40-V43 PolarHBondContact O-N 2.78Å; K41-V43 PolarHBondContact O-N 3.39Å; V43-A47 VanDerWaalsContact O-CB 3.28Å; V43-A47 WeakPolarHBondContact O-CB 3.39Å; V43-A47 PolarHBondContact O-N 3.5Å
44	V	88.9	Confident	86.5	Confident	83 Å²	83	85.2 Å²	85.2	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-41.4	178.6	170.3	0	0	0	111.1	A40 K41 A47 K48	A40-V44 WeakPolarHBondContact O-CB 3.37Å; A40-V44 VanDerWaalsContact O-CG2 3.23Å; A40-V44 WeakPolarHBondContact O-CG2 3.28Å; A40-V44 PolarHBondContact O-N 3.41Å; K41-V44 PolarHBondContact O-N 2.89Å; V44-A47 PolarHBondContact O-N 3.39Å; V44-K48 WeakPolarHBondContact O-CB 3.2Å; V44-K48 PolarHBondContact O-N 3.36Å
45	E	87	Confident	87.1	Confident	99 Å²	99	87.5 Å²	87.5	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-67.8	-44.8	178.7	-156.2	-167.9	117.6	0	110.8	K41 E42 A47 K48 N49	K41-E45 WeakPolarHBondContact O-CB 3.41Å; K41-E45 PolarHBondContact O-N 3.5Å; E42-E45 PolarHBondContact O-N 2.9Å; E45-A47 VanDerWaalsContact C-N 3.33Å; E45-A47 PolarHBondContact O-N 3.43Å; E45-K48 PolarHBondContact O-N 3.41Å; E45-N49 VanDerWaalsContact O-CB 3.24Å; E45-N49 WeakPolarHBondContact O-CB 3.2Å; E45-N49 PolarHBondContact O-N 2.86Å
46	N	87.2	Confident	87.8	Confident	89 Å²	89	90.1 Å²	90.1	48%	0.476	49%	0.494	S	S	.	.	H	α-helix	trans	-59.5	-42.4	173.2	-82.7	-25	0	0	112.1	E42 K50	E42-N46 WeakPolarHBondContact O-CB 3.24Å; E42-N46 VanDerWaalsContact O-CG 3.31Å; E42-N46 PolarHBondContact O-N 2.82Å; E42-N46 PolarHBondContact O-ND2 3.32Å; N46-K50 WeakPolarHBondContact O-CG 3.4Å; N46-K50 PolarHBondContact O-N 3.01Å
47	A	89.1	Confident	88.1	Confident	45 Å²	45	94.3 Å²	94.3	37%	0.372	50%	0.502	S	S	.	.	H	α-helix	trans	-65.6	-47.6	176.9	0	0	0	0	111.6	V43 V44 E45 N49 K50 I51	V43-A47 VanDerWaalsContact O-CB 3.28Å; V43-A47 WeakPolarHBondContact O-CB 3.39Å; V43-A47 PolarHBondContact O-N 3.5Å; V44-A47 PolarHBondContact O-N 3.39Å; E45-A47 VanDerWaalsContact C-N 3.33Å; E45-A47 PolarHBondContact O-N 3.43Å; A47-N49 VanDerWaalsContact C-N 3.33Å; A47-N49 PolarHBondContact O-N 2.84Å; A47-K50 PolarHBondContact O-N 2.95Å; A47-I51 WeakPolarHBondContact O-CB 3.43Å; A47-I51 VanDerWaalsContact O-CG1 3.26Å; A47-I51 WeakPolarHBondContact O-CG1 3.27Å; A47-I51 PolarHBondContact O-N 3.29Å
48	K	89.9	Confident	88.5	Confident	142 Å²	142	97.5 Å²	97.5	62%	0.617	52%	0.515	S	S	*	.	H	α-helix	trans	-58.1	-45.4	175.3	-89.2	-170.6	-179.6	-174.9	111.6	V44 E45 I51 T52	V44-K48 WeakPolarHBondContact O-CB 3.2Å; V44-K48 PolarHBondContact O-N 3.36Å; E45-K48 PolarHBondContact O-N 3.41Å; K48-I51 PolarHBondContact O-N 2.84Å; K48-T52 VanDerWaalsContact O-CB 3.27Å; K48-T52 WeakPolarHBondContact O-CB 3.26Å; K48-T52 PolarHBondContact O-N 3.43Å; K48-T52 PolarHBondContact O-OG1 3Å
49	N	88.5	Confident	88.8	Confident	101 Å²	101	105.2 Å²	105.2	54%	0.54	54%	0.542	S	S	.	.	H	α-helix	trans	-62.5	-47	-179.1	-162.8	-14.4	0	0	110.6	E45 A47 I51 T52 D53	E45-N49 VanDerWaalsContact O-CB 3.24Å; E45-N49 WeakPolarHBondContact O-CB 3.2Å; E45-N49 PolarHBondContact O-N 2.86Å; A47-N49 VanDerWaalsContact C-N 3.33Å; A47-N49 PolarHBondContact O-N 2.84Å; N49-I51 PolarHBondContact O-N 2.7Å; N49-T52 PolarHBondContact O-N 3.36Å; N49-D53 WeakPolarHBondContact O-CB 3.36Å; N49-D53 PolarHBondContact O-N 3.43Å
50	K	89.4	Confident	88.5	Confident	163 Å²	163	111 Å²	111	71%	0.709	57%	0.567	S	S	*	*	H	α-helix	trans	-60.2	-43.8	174.7	-76.9	-170.7	179.3	-156.8	113.7	N46 A47 T52 A54	N46-K50 WeakPolarHBondContact O-CG 3.4Å; N46-K50 PolarHBondContact O-N 3.01Å; A47-K50 PolarHBondContact O-N 2.95Å; K50-T52 VanDerWaalsContact C-N 3.35Å; K50-A54 WeakPolarHBondContact O-CB 3.5Å; K50-A54 PolarHBondContact O-N 2.87Å
51	I	92.3	Very high	88.7	Confident	100 Å²	100	113.8 Å²	113.8	51%	0.513	57%	0.573	S	S	.	*	H	α-helix	trans	-65.9	-42.6	178.9	-68.4	164.9	0	0	110.1	A47 K48 N49 A54 I55	A47-I51 WeakPolarHBondContact O-CB 3.43Å; A47-I51 VanDerWaalsContact O-CG1 3.26Å; A47-I51 WeakPolarHBondContact O-CG1 3.27Å; A47-I51 PolarHBondContact O-N 3.29Å; K48-I51 PolarHBondContact O-N 2.84Å; N49-I51 PolarHBondContact O-N 2.7Å; I51-A54 PolarHBondContact O-N 3.44Å; I51-I55 HydrophobicContact CG2-CD1 3.68Å; I51-I55 HydrophobicContact CG2-CG1 4.35Å; I51-I55 VanDerWaalsContact O-CG1 3.29Å; I51-I55 WeakPolarHBondContact O-CG1 3.35Å; I51-I55 PolarHBondContact O-N 3.49Å
52	T	90.6	Very high	88.9	Confident	90 Å²	90	112.8 Å²	112.8	55%	0.552	57%	0.573	S	S	*	*	H	α-helix	trans	-63.8	-45.9	179.2	-56.3	0	0	0	110.6	K48 N49 K50 A54 I55 D56	K48-T52 VanDerWaalsContact O-CB 3.27Å; K48-T52 WeakPolarHBondContact O-CB 3.26Å; K48-T52 PolarHBondContact O-N 3.43Å; K48-T52 PolarHBondContact O-OG1 3Å; N49-T52 PolarHBondContact O-N 3.36Å; K50-T52 VanDerWaalsContact C-N 3.35Å; T52-A54 VanDerWaalsContact C-N 3.34Å; T52-A54 PolarHBondContact O-N 3.33Å; T52-I55 PolarHBondContact O-N 2.88Å; T52-D56 WeakPolarHBondContact O-CB 3.45Å; T52-D56 PolarHBondContact O-N 3.1Å
53	D	91.8	Very high	89.3	Confident	82 Å²	82	114.1 Å²	114.1	44%	0.439	58%	0.581	S	S	.	*	H	α-helix	trans	-60.5	-41.3	175.6	-168.5	-95.9	0	0	112.1	N49 D56 K57	N49-D53 WeakPolarHBondContact O-CB 3.36Å; N49-D53 PolarHBondContact O-N 3.43Å; D53-D56 PolarHBondContact O-N 3.34Å; D53-K57 PolarHBondContact O-N 2.92Å; D53-K57 WeakPolarHBondContact OD1-CE 3.43Å; D53-K57 IonicContact OD1-NZ 3.67Å
54	A	93.2	Very high	89.4	Confident	49 Å²	49	115.2 Å²	115.2	41%	0.405	58%	0.581	S	S	.	*	H	α-helix	trans	-66.9	-42.7	177.5	0	0	0	0	112.8	K50 I51 T52 L58	K50-A54 WeakPolarHBondContact O-CB 3.5Å; K50-A54 PolarHBondContact O-N 2.87Å; I51-A54 PolarHBondContact O-N 3.44Å; T52-A54 VanDerWaalsContact C-N 3.34Å; T52-A54 PolarHBondContact O-N 3.33Å; A54-L58 WeakPolarHBondContact O-CG 3.29Å; A54-L58 PolarHBondContact O-N 2.98Å; A54-L58 VanDerWaalsContact O-N 3.1Å
55	I	93.2	Very high	89.5	Confident	101 Å²	101	117.2 Å²	117.2	52%	0.518	59%	0.586	S	S	.	*	H	α-helix	trans	-67	-41.6	176.8	-68.3	170.4	0	0	110.4	I51 T52 L58 K59	I51-I55 HydrophobicContact CG2-CD1 3.68Å; I51-I55 HydrophobicContact CG2-CG1 4.35Å; I51-I55 VanDerWaalsContact O-CG1 3.29Å; I51-I55 WeakPolarHBondContact O-CG1 3.35Å; I51-I55 PolarHBondContact O-N 3.49Å; T52-I55 PolarHBondContact O-N 2.88Å; I55-L58 PolarHBondContact O-N 3.36Å; I55-K59 WeakPolarHBondContact O-CB 3.49Å; I55-K59 PolarHBondContact O-N 3.02Å
56	D	93.5	Very high	89.6	Confident	103 Å²	103	118.4 Å²	118.4	55%	0.551	59%	0.594	S	S	*	*	H	α-helix	trans	-61.1	-44.5	177	-171	-102.4	0	0	111.4	T52 D53 L58 K59 K60	T52-D56 WeakPolarHBondContact O-CB 3.45Å; T52-D56 PolarHBondContact O-N 3.1Å; D53-D56 PolarHBondContact O-N 3.34Å; D56-L58 VanDerWaalsContact C-N 3.32Å; D56-L58 PolarHBondContact O-N 3.18Å; D56-K59 PolarHBondContact O-N 3.2Å; D56-K60 PolarHBondContact O-N 3.38Å
57	K	90.8	Very high	89.8	Confident	144 Å²	144	120.5 Å²	120.5	63%	0.626	60%	0.603	S	S	*	*	H	α-helix	trans	-60.5	-36.7	173.2	-81.9	-173.5	-169.3	173.5	113.9	D53 K59	D53-K57 PolarHBondContact O-N 2.92Å; D53-K57 WeakPolarHBondContact OD1-CE 3.43Å; D53-K57 IonicContact OD1-NZ 3.67Å; K57-K59 VanDerWaalsContact C-N 3.32Å
58	L	90.8	Very high	89.9	Confident	149 Å²	149	126.3 Å²	126.3	78%	0.78	62%	0.621	S	S	*	*	H	α-helix	trans	-74.3	-25.7	178.3	-77.7	170.7	0	0	112.7	A54 I55 D56 K60	A54-L58 WeakPolarHBondContact O-CG 3.29Å; A54-L58 PolarHBondContact O-N 2.98Å; A54-L58 VanDerWaalsContact O-N 3.1Å; I55-L58 PolarHBondContact O-N 3.36Å; D56-L58 VanDerWaalsContact C-N 3.32Å; D56-L58 PolarHBondContact O-N 3.18Å; L58-K60 VanDerWaalsContact C-N 3.3Å
59	K	89	Confident	89.9	Confident	185 Å²	185	125 Å²	125	80%	0.804	62%	0.621	S	S	*	*	H	α-helix	trans	-83.2	-9.4	-179.4	-147.4	-177.7	-171.8	-170.3	112.9	I55 D56 K57	I55-K59 WeakPolarHBondContact O-CB 3.49Å; I55-K59 PolarHBondContact O-N 3.02Å; D56-K59 PolarHBondContact O-N 3.2Å; K57-K59 VanDerWaalsContact C-N 3.32Å
60	K	75.5	Confident	90	Very high	233 Å²	233	127.2 Å²	127.2	100%	1.013	63%	0.628	S	S	*	*			trans	-105.6	0	-176.9	-164.6	173.6	-178.4	-179.8	111.2	D56 L58	D56-K60 PolarHBondContact O-N 3.38Å; L58-K60 VanDerWaalsContact C-N 3.3Å

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