A0A077Z4D0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z4D0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 101 aa.

						>A0A077Z4D0_TRITR|A0A077Z4D0
MDSEEELRTSIHRILETDKEEFKARLQQLESKYLEIEGTYDLHPQLEITDEDRMDLVWYTKKLMGHIKDTFASVATQMNTLKIMEKMFDNAIEAAKENEKN
					

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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)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.5	Low	72.8	Confident	193 Å²	193	113.3 Å²	113.3	95%	0.951	58%	0.581	S	S	*	*				0	-43.8	0	-81.2	-171.6	176.6	0	0	110	S3 E4	M1-S3 PolarHBondContact O-N 3.2Å; M1-E4 PolarHBondContact O-N 3.43Å
2	D	67.1	Low	73.1	Confident	122 Å²	122	112.2 Å²	112.2	65%	0.652	57%	0.571	S	S	*	*	H	α-helix	trans	-55.9	-38.1	-176.7	-52.6	-6.7	0	0	0	115.3	E4 E5 E6	D2-E4 VanDerWaalsContact C-N 3.32Å; D2-E4 PolarHBondContact O-N 3.42Å; D2-E5 PolarHBondContact O-N 3.08Å; D2-E6 WeakPolarHBondContact O-CB 3.33Å; D2-E6 WeakPolarHBondContact O-CG 3.44Å; D2-E6 PolarHBondContact O-N 3.43Å
3	S	78	Confident	73.2	Confident	92 Å²	92	116.8 Å²	116.8	64%	0.643	58%	0.577	S	S	*	*	H	α-helix	trans	-65.6	-29.9	-177.6	60.8	0	0	0	0	114.6	M1 L7	M1-S3 PolarHBondContact O-N 3.2Å; S3-L7 WeakPolarHBondContact O-CB 3.35Å; S3-L7 PolarHBondContact O-N 3.45Å
4	E	72.3	Confident	73.1	Confident	92 Å²	92	114.8 Å²	114.8	43%	0.43	57%	0.568	S	S	.	*	H	α-helix	trans	-77.8	-41.9	-178.8	-172.1	-175	160.7	0	0	110.7	M1 D2 L7 R8 I92	M1-E4 PolarHBondContact O-N 3.43Å; D2-E4 VanDerWaalsContact C-N 3.32Å; D2-E4 PolarHBondContact O-N 3.42Å; E4-L7 PolarHBondContact O-N 3.26Å; E4-R8 WeakPolarHBondContact O-CB 3.47Å; E4-R8 PolarHBondContact O-N 3.02Å; E4-I92 WeakPolarHBondContact OE1-CD1 3.25Å
5	E	79.4	Confident	73.1	Confident	137 Å²	137	109.6 Å²	109.6	64%	0.64	54%	0.543	S	S	*	.	H	α-helix	trans	-68.4	-38.9	177.4	-171	167.4	-169.9	0	0	111.9	D2 R8 T9	D2-E5 PolarHBondContact O-N 3.08Å; E5-R8 PolarHBondContact O-N 2.79Å; E5-T9 WeakPolarHBondContact O-CB 3.34Å; E5-T9 PolarHBondContact O-N 2.92Å; E5-T9 PolarHBondContact O-OG1 3.47Å
6	E	75.6	Confident	73.3	Confident	132 Å²	132	106.6 Å²	106.6	62%	0.617	53%	0.527	S	S	*	.	H	α-helix	trans	-62.7	-44.1	172.5	-76.1	179.9	175.2	0	0	112.2	D2 T9 S10	D2-E6 WeakPolarHBondContact O-CB 3.33Å; D2-E6 WeakPolarHBondContact O-CG 3.44Å; D2-E6 PolarHBondContact O-N 3.43Å; E6-T9 PolarHBondContact O-N 3.46Å; E6-S10 VanDerWaalsContact O-CB 3.3Å; E6-S10 WeakPolarHBondContact O-CB 3.38Å; E6-S10 PolarHBondContact O-N 3.38Å; E6-S10 PolarHBondContact O-OG 2.98Å
7	L	71.7	Confident	73.5	Confident	109 Å²	109	104.8 Å²	104.8	57%	0.571	52%	0.524	S	S	*	.	H	α-helix	trans	-63.6	-46.4	177.4	-177.1	66.4	0	0	0	110.9	S3 E4 T9 S10 I11	S3-L7 WeakPolarHBondContact O-CB 3.35Å; S3-L7 PolarHBondContact O-N 3.45Å; E4-L7 PolarHBondContact O-N 3.26Å; L7-T9 PolarHBondContact O-N 3.18Å; L7-S10 WeakPolarHBondContact O-CB 3.37Å; L7-S10 PolarHBondContact O-N 3.32Å; L7-I11 HydrophobicContact CD1-CD1 4.21Å; L7-I11 HydrophobicContact CD1-CG1 4.45Å; L7-I11 HydrophobicContact CD2-CD1 4.49Å; L7-I11 HydrophobicContact CG-CD1 3.9Å; L7-I11 HydrophobicContact CG-CG1 4.5Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.24Å
8	R	76.9	Confident	73.6	Confident	151 Å²	151	103.8 Å²	103.8	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-60.4	-46.3	178.2	-172.9	175.9	-174.9	-128.6	5.7	111.7	E4 E5 S10 I11 H12 D89	E4-R8 WeakPolarHBondContact O-CB 3.47Å; E4-R8 PolarHBondContact O-N 3.02Å; E5-R8 PolarHBondContact O-N 2.79Å; R8-S10 VanDerWaalsContact C-N 3.3Å; R8-S10 PolarHBondContact O-N 3.3Å; R8-I11 PolarHBondContact O-N 3.19Å; R8-H12 WeakPolarHBondContact O-CB 3.45Å; R8-H12 PolarHBondContact O-N 2.91Å; R8-D89 IonicContact CZ-OD1 3.88Å; R8-D89 IonicContact CZ-OD2 3.59Å; R8-D89 IonicContact NE-OD1 3.48Å; R8-D89 PolarHBondContact NE-OD1 3.45Å; R8-D89 IonicContact NE-OD2 3.65Å; R8-D89 IonicContact NH2-OD1 2.73Å; R8-D89 IonicContact NH2-OD2 2.72Å; R8-D89 PolarHBondContact NH2-OD2 2.94Å
9	T	78.5	Confident	73.5	Confident	88 Å²	88	100.9 Å²	100.9	54%	0.54	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-40.4	176.7	-57.5	0	0	0	0	111.1	E5 E6 L7 R13	E5-T9 WeakPolarHBondContact O-CB 3.34Å; E5-T9 PolarHBondContact O-N 2.92Å; E5-T9 PolarHBondContact O-OG1 3.47Å; E6-T9 PolarHBondContact O-N 3.46Å; L7-T9 PolarHBondContact O-N 3.18Å; T9-R13 VanDerWaalsContact O-CB 3.32Å; T9-R13 WeakPolarHBondContact O-CB 3.5Å; T9-R13 PolarHBondContact O-N 2.96Å
10	S	72.1	Confident	73.8	Confident	58 Å²	58	100.5 Å²	100.5	41%	0.406	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-45	177.6	-62.1	0	0	0	0	112.2	E6 L7 R8 R13 I14	E6-S10 VanDerWaalsContact O-CB 3.3Å; E6-S10 WeakPolarHBondContact O-CB 3.38Å; E6-S10 PolarHBondContact O-N 3.38Å; E6-S10 PolarHBondContact O-OG 2.98Å; L7-S10 WeakPolarHBondContact O-CB 3.37Å; L7-S10 PolarHBondContact O-N 3.32Å; R8-S10 VanDerWaalsContact C-N 3.3Å; R8-S10 PolarHBondContact O-N 3.3Å; S10-R13 PolarHBondContact O-N 3.5Å; S10-I14 VanDerWaalsContact O-CG1 3.28Å; S10-I14 WeakPolarHBondContact O-CG1 3.38Å; S10-I14 PolarHBondContact O-N 3.48Å
11	I	73	Confident	74.1	Confident	72 Å²	72	100.1 Å²	100.1	37%	0.369	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-48.7	175.9	-69.1	168.6	0	0	0	110.2	L7 R8 R13 I14 L15	L7-I11 HydrophobicContact CD1-CD1 4.21Å; L7-I11 HydrophobicContact CD1-CG1 4.45Å; L7-I11 HydrophobicContact CD2-CD1 4.49Å; L7-I11 HydrophobicContact CG-CD1 3.9Å; L7-I11 HydrophobicContact CG-CG1 4.5Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.24Å; R8-I11 PolarHBondContact O-N 3.19Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 3.3Å; I11-I14 PolarHBondContact O-N 3.5Å; I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 2.94Å
12	H	76.2	Confident	74.8	Confident	100 Å²	100	94.8 Å²	94.8	46%	0.463	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-41.2	179.6	-168.1	72	0	0	0	112	R8 L15 E16	R8-H12 WeakPolarHBondContact O-CB 3.45Å; R8-H12 PolarHBondContact O-N 2.91Å; H12-L15 PolarHBondContact O-N 3.47Å; H12-E16 WeakPolarHBondContact O-CB 3.48Å; H12-E16 PolarHBondContact O-N 2.94Å
13	R	74.9	Confident	75.2	Confident	173 Å²	173	92.5 Å²	92.5	65%	0.653	45%	0.453	S	S	*	.	H	α-helix	trans	-63.1	-44.4	176.2	-169.6	-175.2	73	139.3	2.7	111.7	T9 S10 I11 T17	T9-R13 VanDerWaalsContact O-CB 3.32Å; T9-R13 WeakPolarHBondContact O-CB 3.5Å; T9-R13 PolarHBondContact O-N 2.96Å; S10-R13 PolarHBondContact O-N 3.5Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 3.3Å; R13-T17 WeakPolarHBondContact O-CB 3.32Å; R13-T17 PolarHBondContact O-N 3.02Å; R13-T17 PolarHBondContact O-OG1 3.2Å
14	I	71.6	Confident	75.3	Confident	88 Å²	88	90.1 Å²	90.1	45%	0.451	44%	0.439	S	S	.	.	H	α-helix	trans	-60.5	-51.2	177.1	-69.1	164.2	0	0	0	109.2	S10 I11 E16 T17 D18	S10-I14 VanDerWaalsContact O-CG1 3.28Å; S10-I14 WeakPolarHBondContact O-CG1 3.38Å; S10-I14 PolarHBondContact O-N 3.48Å; I11-I14 PolarHBondContact O-N 3.5Å; I14-E16 PolarHBondContact O-N 2.91Å; I14-T17 PolarHBondContact O-N 2.78Å; I14-D18 WeakPolarHBondContact CG2-OD2 3.3Å; I14-D18 VanDerWaalsContact O-CB 3.23Å; I14-D18 WeakPolarHBondContact O-CB 3.38Å; I14-D18 PolarHBondContact O-N 2.91Å
15	L	72.3	Confident	75.4	Confident	37 Å²	37	93 Å²	93	19%	0.194	45%	0.446	C	S	.	.	H	α-helix	trans	-61.5	-41.9	-177.9	-70.3	175.4	0	0	0	113.5	I11 H12 K19 L81 E85	I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 2.94Å; H12-L15 PolarHBondContact O-N 3.47Å; L15-K19 VanDerWaalsContact O-CB 3.29Å; L15-K19 WeakPolarHBondContact O-CB 3.42Å; L15-K19 PolarHBondContact O-N 2.94Å; L15-K19 VanDerWaalsContact O-N 3.1Å; L15-L81 HydrophobicContact CD2-CD1 4.38Å; L15-E85 WeakPolarHBondContact CD1-OE1 3.33Å
16	E	77.2	Confident	75	Confident	61 Å²	61	88.1 Å²	88.1	29%	0.285	42%	0.424	S	S	.	.	H	α-helix	trans	-78	-34.2	-179.1	-154.6	68.1	-153.2	0	0	111.7	H12 I14 K19 E20 K82	H12-E16 WeakPolarHBondContact O-CB 3.48Å; H12-E16 PolarHBondContact O-N 2.94Å; I14-E16 PolarHBondContact O-N 2.91Å; E16-K19 WeakPolarHBondContact O-CB 3.32Å; E16-K19 PolarHBondContact O-N 3.37Å; E16-K19 IonicContact OE1-NZ 3.78Å; E16-K19 PolarHBondContact OE1-NZ 3.48Å; E16-K19 IonicContact OE2-NZ 3.26Å; E16-E20 PolarHBondContact O-N 3.43Å; E16-E20 VanDerWaalsContact O-N 3.16Å; E16-K82 IonicContact OE2-NZ 3.71Å
17	T	76.3	Confident	75.1	Confident	76 Å²	76	87.8 Å²	87.8	47%	0.466	42%	0.423	S	S	.	.	H	α-helix	trans	-64.7	-49	173.2	-56	0	0	0	0	110.6	R13 I14 K19 E20 E21	R13-T17 WeakPolarHBondContact O-CB 3.32Å; R13-T17 PolarHBondContact O-N 3.02Å; R13-T17 PolarHBondContact O-OG1 3.2Å; I14-T17 PolarHBondContact O-N 2.78Å; T17-K19 PolarHBondContact O-N 2.93Å; T17-E20 PolarHBondContact O-N 2.86Å; T17-E21 WeakPolarHBondContact O-CB 3.45Å; T17-E21 PolarHBondContact O-N 3.39Å
18	D	74.9	Confident	75.4	Confident	87 Å²	87	88.2 Å²	88.2	47%	0.465	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-36.6	179.4	-70.2	-7.2	0	0	0	110.7	I14 F22	I14-D18 WeakPolarHBondContact CG2-OD2 3.3Å; I14-D18 VanDerWaalsContact O-CB 3.23Å; I14-D18 WeakPolarHBondContact O-CB 3.38Å; I14-D18 PolarHBondContact O-N 2.91Å; D18-F22 WeakPolarHBondContact O-CB 3.48Å; D18-F22 PolarHBondContact O-N 3.04Å
19	K	72.5	Confident	75.2	Confident	50 Å²	50	84.4 Å²	84.4	22%	0.217	41%	0.412	C	S	.	.	H	α-helix	trans	-62.7	-49.9	176.5	-171.1	174.3	152.8	-136.9	0	112.9	L15 E16 T17 F22 K23 M78	L15-K19 VanDerWaalsContact O-CB 3.29Å; L15-K19 WeakPolarHBondContact O-CB 3.42Å; L15-K19 PolarHBondContact O-N 2.94Å; L15-K19 VanDerWaalsContact O-N 3.1Å; E16-K19 WeakPolarHBondContact O-CB 3.32Å; E16-K19 PolarHBondContact O-N 3.37Å; E16-K19 IonicContact OE1-NZ 3.78Å; E16-K19 PolarHBondContact OE1-NZ 3.48Å; E16-K19 IonicContact OE2-NZ 3.26Å; T17-K19 PolarHBondContact O-N 2.93Å; K19-F22 PolarHBondContact O-N 3.43Å; K19-K23 WeakPolarHBondContact O-CG 3.46Å; K19-K23 PolarHBondContact O-N 3.35Å; K19-M78 HydrophobicContact CB-CE 3.54Å; K19-M78 HydrophobicContact CD-CE 3.94Å; K19-M78 HydrophobicContact CG-CE 3.75Å; K19-M78 HydrophobicContact CG-SD 4.39Å
20	E	80.1	Confident	75	Confident	92 Å²	92	83.9 Å²	83.9	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-73.8	-38.6	-176.4	-66.4	-54	131.7	0	0	111.5	E16 T17 F22 K23 A24	E16-E20 PolarHBondContact O-N 3.43Å; E16-E20 VanDerWaalsContact O-N 3.16Å; T17-E20 PolarHBondContact O-N 2.86Å; E20-F22 VanDerWaalsContact C-N 3.3Å; E20-F22 PolarHBondContact O-N 3.24Å; E20-K23 PolarHBondContact O-N 3.07Å; E20-K23 IonicContact OE1-NZ 3.71Å; E20-K23 PolarHBondContact OE1-NZ 3.15Å; E20-K23 IonicContact OE2-NZ 2.72Å; E20-A24 WeakPolarHBondContact O-CB 3.17Å; E20-A24 PolarHBondContact O-N 2.94Å
21	E	79.3	Confident	75.2	Confident	92 Å²	92	84.1 Å²	84.1	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-60.8	-42.5	171.9	-172.4	179.4	168.9	0	0	111.1	T17 A24 R25	T17-E21 WeakPolarHBondContact O-CB 3.45Å; T17-E21 PolarHBondContact O-N 3.39Å; E21-A24 PolarHBondContact O-N 3.42Å; E21-R25 WeakPolarHBondContact O-CG 3.41Å; E21-R25 PolarHBondContact O-N 2.99Å; E21-R25 IonicContact OE1-CZ 2.67Å; E21-R25 VanDerWaalsContact OE1-CZ 3.28Å; E21-R25 IonicContact OE1-NE 3.28Å; E21-R25 PolarHBondContact OE1-NE 2.73Å; E21-R25 IonicContact OE1-NH2 3.7Å; E21-R25 PolarHBondContact OE1-NH2 3.4Å
22	F	70.6	Confident	75.2	Confident	81 Å²	81	86.6 Å²	86.6	36%	0.355	41%	0.414	S	S	.	.	H	α-helix	trans	-65.4	-42.7	178.5	-172.6	-107.4	0	0	0	112.5	D18 K19 E20 A24 R25 L26 F71 V74	D18-F22 WeakPolarHBondContact O-CB 3.48Å; D18-F22 PolarHBondContact O-N 3.04Å; K19-F22 PolarHBondContact O-N 3.43Å; E20-F22 VanDerWaalsContact C-N 3.3Å; E20-F22 PolarHBondContact O-N 3.24Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.14Å; F22-R25 PolarHBondContact O-N 2.65Å; F22-L26 PolarHBondContact O-N 2.92Å; F22-F71 HydrophobicContact CD1-CD2 4.34Å; F22-F71 HydrophobicContact CD1-CE2 4.36Å; F22-F71 AromaticContact CE1-CD2 3.68Å; F22-F71 HydrophobicContact CE1-CD2 3.68Å; F22-F71 HydrophobicContact CE1-CE2 4.14Å; F22-V74 HydrophobicContact CE1-CG1 4.18Å
23	K	76.1	Confident	74.9	Confident	75 Å²	75	83.7 Å²	83.7	33%	0.326	40%	0.399	S	S	.	.	H	α-helix	trans	-58.8	-43.3	172.6	-76.8	173.2	178.4	175.6	0	112.2	K19 E20 L26 Q27	K19-K23 WeakPolarHBondContact O-CG 3.46Å; K19-K23 PolarHBondContact O-N 3.35Å; E20-K23 PolarHBondContact O-N 3.07Å; E20-K23 IonicContact OE1-NZ 3.71Å; E20-K23 PolarHBondContact OE1-NZ 3.15Å; E20-K23 IonicContact OE2-NZ 2.72Å; K23-L26 WeakPolarHBondContact O-CB 3.28Å; K23-L26 PolarHBondContact O-N 3.18Å; K23-Q27 PolarHBondContact O-N 3.36Å
24	A	79.9	Confident	74.7	Confident	42 Å²	42	80.7 Å²	80.7	35%	0.347	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-43.3	178.5	0	0	0	0	0	111.5	E20 E21 F22 L26 Q27 Q28	E20-A24 WeakPolarHBondContact O-CB 3.17Å; E20-A24 PolarHBondContact O-N 2.94Å; E21-A24 PolarHBondContact O-N 3.42Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.14Å; A24-L26 VanDerWaalsContact C-N 3.31Å; A24-L26 PolarHBondContact O-N 2.92Å; A24-Q27 PolarHBondContact O-N 3.4Å; A24-Q28 WeakPolarHBondContact O-CG 3.4Å; A24-Q28 PolarHBondContact O-N 3.48Å
25	R	73.9	Confident	74.8	Confident	153 Å²	153	82.7 Å²	82.7	58%	0.577	40%	0.403	S	S	*	.	H	α-helix	trans	-62.3	-37.3	174.8	-71.1	179.5	-178	-161.8	2.5	112.3	E21 F22 Q28 L29	E21-R25 WeakPolarHBondContact O-CG 3.41Å; E21-R25 PolarHBondContact O-N 2.99Å; E21-R25 IonicContact OE1-CZ 2.67Å; E21-R25 VanDerWaalsContact OE1-CZ 3.28Å; E21-R25 IonicContact OE1-NE 3.28Å; E21-R25 PolarHBondContact OE1-NE 2.73Å; E21-R25 IonicContact OE1-NH2 3.7Å; E21-R25 PolarHBondContact OE1-NH2 3.4Å; F22-R25 PolarHBondContact O-N 2.65Å; R25-Q28 PolarHBondContact O-N 2.72Å; R25-L29 PolarHBondContact O-N 3.44Å; R25-L29 VanDerWaalsContact O-N 3.07Å
26	L	72.4	Confident	74.7	Confident	34 Å²	34	84.4 Å²	84.4	18%	0.178	41%	0.411	C	S	.	.	H	α-helix	trans	-64.2	-47.5	176.1	-168.7	79.2	0	0	0	111.6	F22 K23 A24 Q28 L29 E30 I67 F71	F22-L26 PolarHBondContact O-N 2.92Å; K23-L26 WeakPolarHBondContact O-CB 3.28Å; K23-L26 PolarHBondContact O-N 3.18Å; A24-L26 VanDerWaalsContact C-N 3.31Å; A24-L26 PolarHBondContact O-N 2.92Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.16Å; L26-L29 WeakPolarHBondContact O-CB 3.34Å; L26-L29 PolarHBondContact O-N 3Å; L26-L29 VanDerWaalsContact O-N 3.08Å; L26-E30 PolarHBondContact O-N 3.12Å; L26-I67 HydrophobicContact CD1-CG2 4.11Å; L26-F71 HydrophobicContact CD1-CD2 4.39Å; L26-F71 HydrophobicContact CD2-CD2 3.69Å; L26-F71 HydrophobicContact CD2-CE2 3.84Å; L26-F71 HydrophobicContact CD2-CG 4.23Å; L26-F71 HydrophobicContact CD2-CZ 4.48Å
27	Q	77.4	Confident	74.1	Confident	124 Å²	124	85.1 Å²	85.1	58%	0.579	42%	0.415	S	S	*	.	H	α-helix	trans	-61.8	-37.5	177.6	-73.1	178.7	-15.8	0	0	112.4	K23 A24 L29 E30 S31	K23-Q27 PolarHBondContact O-N 3.36Å; A24-Q27 PolarHBondContact O-N 3.4Å; Q27-L29 VanDerWaalsContact C-N 3.31Å; Q27-L29 PolarHBondContact O-N 2.91Å; Q27-E30 PolarHBondContact O-N 3.23Å; Q27-S31 WeakPolarHBondContact O-CB 3.37Å; Q27-S31 PolarHBondContact O-N 2.92Å; Q27-S31 PolarHBondContact O-OG 3.42Å
28	Q	77.7	Confident	73.7	Confident	118 Å²	118	82.8 Å²	82.8	55%	0.551	41%	0.406	S	S	*	.	H	α-helix	trans	-63.1	-39.3	173.8	-73.4	176.6	4.6	0	0	111.9	A24 R25 L26 S31 K32	A24-Q28 WeakPolarHBondContact O-CG 3.4Å; A24-Q28 PolarHBondContact O-N 3.48Å; R25-Q28 PolarHBondContact O-N 2.72Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.16Å; Q28-S31 PolarHBondContact O-N 2.87Å; Q28-K32 WeakPolarHBondContact O-CG 3.47Å; Q28-K32 PolarHBondContact O-N 3.27Å
29	L	72.8	Confident	73.3	Confident	71 Å²	71	81.3 Å²	81.3	37%	0.372	40%	0.4	S	S	.	.	H	α-helix	trans	-69.2	-42.2	177.4	-176.7	70.9	0	0	0	112	R25 L26 Q27 S31 K32 Y33 I67	R25-L29 PolarHBondContact O-N 3.44Å; R25-L29 VanDerWaalsContact O-N 3.07Å; L26-L29 WeakPolarHBondContact O-CB 3.34Å; L26-L29 PolarHBondContact O-N 3Å; L26-L29 VanDerWaalsContact O-N 3.08Å; Q27-L29 VanDerWaalsContact C-N 3.31Å; Q27-L29 PolarHBondContact O-N 2.91Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.11Å; L29-K32 PolarHBondContact O-N 3.3Å; L29-Y33 PolarHBondContact O-N 3.24Å; L29-I67 HydrophobicContact CD2-CD1 3.62Å; L29-I67 HydrophobicContact CD2-CG2 3.76Å
30	E	73.3	Confident	72.7	Confident	77 Å²	77	81.9 Å²	81.9	36%	0.36	40%	0.401	S	S	.	.	H	α-helix	trans	-60.3	-40.7	173.9	-73	-175.7	156.2	0	0	111.6	L26 Q27 Y33 L34	L26-E30 PolarHBondContact O-N 3.12Å; Q27-E30 PolarHBondContact O-N 3.23Å; E30-Y33 WeakPolarHBondContact O-CB 3.47Å; E30-Y33 PolarHBondContact O-N 3.46Å; E30-L34 PolarHBondContact O-N 3.47Å; E30-L34 VanDerWaalsContact O-N 3.13Å
31	S	77.4	Confident	72	Confident	64 Å²	64	83.7 Å²	83.7	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-64.2	-46.9	176.7	-57.6	0	0	0	0	111.7	Q27 Q28 L29 Y33 L34 E35	Q27-S31 WeakPolarHBondContact O-CB 3.37Å; Q27-S31 PolarHBondContact O-N 2.92Å; Q27-S31 PolarHBondContact O-OG 3.42Å; Q28-S31 PolarHBondContact O-N 2.87Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.11Å; S31-Y33 PolarHBondContact O-N 3.34Å; S31-L34 PolarHBondContact O-N 2.92Å; S31-L34 VanDerWaalsContact O-N 3.16Å; S31-E35 PolarHBondContact O-N 2.96Å
32	K	72	Confident	71.3	Confident	124 Å²	124	85.6 Å²	85.6	54%	0.539	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-34.1	175.8	-74.5	177.5	179.7	-179	0	112.6	Q28 L29 E35 I36	Q28-K32 WeakPolarHBondContact O-CG 3.47Å; Q28-K32 PolarHBondContact O-N 3.27Å; L29-K32 PolarHBondContact O-N 3.3Å; K32-E35 PolarHBondContact O-N 3.34Å; K32-I36 VanDerWaalsContact O-CG1 3.3Å; K32-I36 WeakPolarHBondContact O-CG1 3.11Å; K32-I36 PolarHBondContact O-N 3.3Å
33	Y	69.5	Low	71	Confident	38 Å²	38	85.3 Å²	85.3	15%	0.149	43%	0.426	C	S	.	.	H	α-helix	trans	-64	-46.9	174.6	169.5	-85.8	0	0	0	111.6	L29 E30 S31 E35 I36 E37 T60 M64	L29-Y33 PolarHBondContact O-N 3.24Å; E30-Y33 WeakPolarHBondContact O-CB 3.47Å; E30-Y33 PolarHBondContact O-N 3.46Å; S31-Y33 PolarHBondContact O-N 3.34Å; Y33-E35 VanDerWaalsContact C-N 3.27Å; Y33-E35 PolarHBondContact O-N 3.37Å; Y33-I36 PolarHBondContact O-N 3.04Å; Y33-E37 WeakPolarHBondContact CE1-OE2 3.47Å; Y33-E37 PolarHBondContact O-N 3.1Å; Y33-T60 HydrophobicContact CD2-CG2 3.43Å; Y33-T60 VanDerWaalsContact CD2-CG2 3.43Å; Y33-T60 HydrophobicContact CE2-CG2 3.32Å; Y33-M64 HydrophobicContact CD1-CE 4.07Å; Y33-M64 HydrophobicContact CD2-CE 3.53Å; Y33-M64 HydrophobicContact CE2-CB 4.41Å; Y33-M64 HydrophobicContact CE2-CE 4.37Å; Y33-M64 HydrophobicContact CG-CE 3.35Å
34	L	71.6	Confident	70.3	Confident	111 Å²	111	86.2 Å²	86.2	58%	0.581	44%	0.439	S	S	*	.	H	α-helix	trans	-63	-36	178.4	-69.8	172.5	0	0	0	111.8	E30 S31 G38	E30-L34 PolarHBondContact O-N 3.47Å; E30-L34 VanDerWaalsContact O-N 3.13Å; S31-L34 PolarHBondContact O-N 2.92Å; S31-L34 VanDerWaalsContact O-N 3.16Å; L34-G38 PolarHBondContact O-N 2.84Å
35	E	73.4	Confident	69.3	Low	129 Å²	129	90.5 Å²	90.5	60%	0.603	45%	0.452	S	S	*	.	H	α-helix	trans	-62.3	-47.2	172.7	-70.9	173.9	-178.2	0	0	111.6	S31 K32 Y33 E37 G38 T39	S31-E35 PolarHBondContact O-N 2.96Å; K32-E35 PolarHBondContact O-N 3.34Å; Y33-E35 VanDerWaalsContact C-N 3.27Å; Y33-E35 PolarHBondContact O-N 3.37Å; E35-E37 PolarHBondContact O-N 3.26Å; E35-G38 PolarHBondContact O-N 2.67Å; E35-T39 WeakPolarHBondContact O-CG2 3.23Å; E35-T39 PolarHBondContact O-N 2.72Å
36	I	69.8	Low	68.7	Low	73 Å²	73	86.9 Å²	86.9	37%	0.374	44%	0.444	S	S	.	.	H	α-helix	trans	-60.7	-46	177.6	-71.3	167.6	0	0	0	110.7	K32 Y33 G38 T39 Y40	K32-I36 VanDerWaalsContact O-CG1 3.3Å; K32-I36 WeakPolarHBondContact O-CG1 3.11Å; K32-I36 PolarHBondContact O-N 3.3Å; Y33-I36 PolarHBondContact O-N 3.04Å; I36-G38 VanDerWaalsContact C-N 3.32Å; I36-G38 PolarHBondContact O-N 3.46Å; I36-T39 WeakPolarHBondContact CA-OG1 3.43Å; I36-T39 PolarHBondContact O-N 2.91Å; I36-T39 PolarHBondContact O-OG1 2.97Å; I36-Y40 HydrophobicContact CG2-CD2 4.29Å; I36-Y40 HydrophobicContact CG2-CE2 3.42Å; I36-Y40 VanDerWaalsContact CG2-CE2 3.42Å; I36-Y40 WeakPolarHBondContact O-CD2 3.37Å; I36-Y40 WeakPolarHBondContact O-CE2 3.48Å
37	E	65.1	Low	68.4	Low	77 Å²	77	94.7 Å²	94.7	36%	0.36	48%	0.479	S	S	.	.	H	α-helix	trans	-56.8	-45.9	175.9	-170.8	168.1	-147.5	0	0	111.1	Y33 E35 T39 Y40	Y33-E37 WeakPolarHBondContact CE1-OE2 3.47Å; Y33-E37 PolarHBondContact O-N 3.1Å; E35-E37 PolarHBondContact O-N 3.26Å; E37-T39 PolarHBondContact O-N 3.19Å; E37-Y40 PolarHBondContact O-N 3.49Å
38	G	68.5	Low	67.9	Low	27 Å²	27	91.1 Å²	91.1	28%	0.278	46%	0.464	S	S	.	.	H	α-helix	trans	-67.6	-30.7	176.9	0	0	0	0	0	114.8	L34 E35 I36 Y40 D41 L42	L34-G38 PolarHBondContact O-N 2.84Å; E35-G38 PolarHBondContact O-N 2.67Å; I36-G38 VanDerWaalsContact C-N 3.32Å; I36-G38 PolarHBondContact O-N 3.46Å; G38-Y40 VanDerWaalsContact C-N 3.33Å; G38-Y40 PolarHBondContact O-N 3.29Å; G38-D41 PolarHBondContact O-N 3.49Å; G38-L42 WeakPolarHBondContact O-CG 3.49Å; G38-L42 PolarHBondContact O-N 2.94Å
39	T	66.3	Low	67.8	Low	56 Å²	56	88.9 Å²	88.9	34%	0.344	46%	0.459	S	S	.	.	H	α-helix	trans	-65	-34.8	179	54	0	0	0	0	112.8	E35 I36 E37 D41 L42 H43	E35-T39 WeakPolarHBondContact O-CG2 3.23Å; E35-T39 PolarHBondContact O-N 2.72Å; I36-T39 WeakPolarHBondContact CA-OG1 3.43Å; I36-T39 PolarHBondContact O-N 2.91Å; I36-T39 PolarHBondContact O-OG1 2.97Å; E37-T39 PolarHBondContact O-N 3.19Å; T39-D41 VanDerWaalsContact C-N 3.32Å; T39-D41 PolarHBondContact O-N 3.04Å; T39-L42 PolarHBondContact O-N 3.17Å; T39-H43 PolarHBondContact O-CD2 3.38Å; T39-H43 PolarHBondContact O-N 2.88Å; T39-H43 VanDerWaalsContact O-N 3.14Å
40	Y	59.7	Low	68.1	Low	61 Å²	61	91.6 Å²	91.6	24%	0.239	47%	0.473	C	S	.	.	H	α-helix	trans	-68.9	-32.2	179.2	-64.7	-64.2	0	0	0	112.9	I36 E37 G38 L42 L56	I36-Y40 HydrophobicContact CG2-CD2 4.29Å; I36-Y40 HydrophobicContact CG2-CE2 3.42Å; I36-Y40 VanDerWaalsContact CG2-CE2 3.42Å; I36-Y40 WeakPolarHBondContact O-CD2 3.37Å; I36-Y40 WeakPolarHBondContact O-CE2 3.48Å; E37-Y40 PolarHBondContact O-N 3.49Å; G38-Y40 VanDerWaalsContact C-N 3.33Å; G38-Y40 PolarHBondContact O-N 3.29Å; Y40-L42 VanDerWaalsContact C-N 3.29Å; Y40-L56 HydrophobicContact CD1-CD2 4.21Å; Y40-L56 HydrophobicContact CE1-CD2 3.37Å; Y40-L56 HydrophobicContact CE2-CD2 3.86Å; Y40-L56 HydrophobicContact CE2-CG 4.22Å; Y40-L56 WeakPolarHBondContact OH-CD2 3.36Å
41	D	64.8	Low	68.4	Low	131 Å²	131	94.7 Å²	94.7	70%	0.701	49%	0.488	S	S	*	.	H	α-helix	trans	-69	-30.5	174	-70.9	-21.4	0	0	0	111.9	G38 T39	G38-D41 PolarHBondContact O-N 3.49Å; T39-D41 VanDerWaalsContact C-N 3.32Å; T39-D41 PolarHBondContact O-N 3.04Å
42	L	64.6	Low	68.3	Low	131 Å²	131	95.6 Å²	95.6	69%	0.686	49%	0.487	S	S	*	.	H	α-helix	trans	-88.5	-14.6	-176.4	-66.9	172.7	0	0	0	114.6	G38 T39 Y40 P44	G38-L42 WeakPolarHBondContact O-CG 3.49Å; G38-L42 PolarHBondContact O-N 2.94Å; T39-L42 PolarHBondContact O-N 3.17Å; Y40-L42 VanDerWaalsContact C-N 3.29Å; L42-P44 WeakPolarHBondContact O-CD 3.29Å
43	H	65.3	Low	68.3	Low	76 Å²	76	93.1 Å²	93.1	35%	0.352	48%	0.475	S	S	.	.			trans	-117.9	68.4	-173.4	-68.4	-63.9	0	0	0	113.6	T39 Q45 L46	T39-H43 PolarHBondContact O-CD2 3.38Å; T39-H43 PolarHBondContact O-N 2.88Å; T39-H43 VanDerWaalsContact O-N 3.14Å; H43-Q45 PolarHBondContact ND1-NE2 2.98Å; H43-Q45 PolarHBondContact O-N 3.3Å; H43-L46 HydrophobicContact CB-CD1 3.89Å; H43-L46 HydrophobicContact CB-CG 4.14Å; H43-L46 PolarHBondContact O-N 3Å
44	P	60.4	Low	68.7	Low	94 Å²	94	97.9 Å²	97.9	61%	0.61	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.7	174.2	27.2	-33.4	0	0	0	113.9	L42 L46	L42-P44 WeakPolarHBondContact O-CD 3.29Å; P44-L46 VanDerWaalsContact C-N 3.25Å; P44-L46 PolarHBondContact O-N 3.31Å
45	Q	60.6	Low	69	Low	131 Å²	131	97.2 Å²	97.2	61%	0.612	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-13.4	176.5	64.9	-93.8	26.3	0	0	114.6	H43 E47	H43-Q45 PolarHBondContact ND1-NE2 2.98Å; H43-Q45 PolarHBondContact O-N 3.3Å; Q45-E47 PolarHBondContact O-N 3.37Å; Q45-E47 VanDerWaalsContact O-N 3.15Å
46	L	60.2	Low	69	Low	77 Å²	77	93.7 Å²	93.7	40%	0.403	48%	0.482	S	S	.	.	S	Bend	trans	-70.7	110	166.1	-61.8	170.2	0	0	0	104.7	H43 P44 I48	H43-L46 HydrophobicContact CB-CD1 3.89Å; H43-L46 HydrophobicContact CB-CG 4.14Å; H43-L46 PolarHBondContact O-N 3Å; P44-L46 VanDerWaalsContact C-N 3.25Å; P44-L46 PolarHBondContact O-N 3.31Å; L46-I48 HydrophobicContact CB-CB 4.37Å; L46-I48 HydrophobicContact CB-CD1 3.48Å; L46-I48 VanDerWaalsContact CB-CD1 3.48Å; L46-I48 HydrophobicContact CB-CG1 3.68Å; L46-I48 HydrophobicContact CD1-CD1 3.74Å; L46-I48 HydrophobicContact CG-CD1 4.14Å; L46-I48 PolarHBondContact O-N 3.45Å
47	E	65.1	Low	69.3	Low	198 Å²	198	92.8 Å²	92.8	93%	0.925	48%	0.48	S	S	*	.			trans	-64.7	43.7	172.4	-63.7	179.2	165.2	0	0	111.3	Q45	Q45-E47 PolarHBondContact O-N 3.37Å; Q45-E47 VanDerWaalsContact O-N 3.15Å
48	I	67.6	Low	70	Confident	49 Å²	49	95.9 Å²	95.9	25%	0.251	49%	0.489	S	S	.	.			trans	-83.4	121	176.6	-67.3	173.9	0	0	0	105.4	L46 D52 R53	L46-I48 HydrophobicContact CB-CB 4.37Å; L46-I48 HydrophobicContact CB-CD1 3.48Å; L46-I48 VanDerWaalsContact CB-CD1 3.48Å; L46-I48 HydrophobicContact CB-CG1 3.68Å; L46-I48 HydrophobicContact CD1-CD1 3.74Å; L46-I48 HydrophobicContact CG-CD1 4.14Å; L46-I48 PolarHBondContact O-N 3.45Å; I48-D52 HydrophobicContact CB-CB 4.49Å; I48-D52 HydrophobicContact CG2-CB 3.37Å; I48-R53 HydrophobicContact CB-CG 4.4Å; I48-R53 HydrophobicContact CG2-CB 4.43Å; I48-R53 HydrophobicContact CG2-CG 3.54Å
49	T	75.1	Confident	70.4	Confident	72 Å²	72	101.3 Å²	101.3	44%	0.442	50%	0.501	S	S	.	.			trans	-64.1	158	177.3	67.5	0	0	0	0	110	E51 D52 R53	T49-E51 PolarHBondContact O-N 3.44Å; T49-E51 VanDerWaalsContact O-N 3.15Å; T49-D52 WeakPolarHBondContact CB-OD2 3.49Å; T49-D52 PolarHBondContact N-OD2 2.98Å; T49-D52 VanDerWaalsContact N-OD2 3.17Å; T49-D52 PolarHBondContact O-N 3.47Å; T49-D52 VanDerWaalsContact O-N 3.12Å; T49-D52 PolarHBondContact OG1-N 2.94Å; T49-D52 VanDerWaalsContact OG1-N 3.16Å; T49-D52 PolarHBondContact OG1-OD2 2.78Å; T49-R53 PolarHBondContact O-N 3.19Å
50	D	79.5	Confident	70.7	Confident	128 Å²	128	99.7 Å²	99.7	68%	0.684	49%	0.492	S	S	*	.	H	α-helix	trans	-57	-30	174.8	-70.7	-27.4	0	0	0	111.9	M54	D50-M54 WeakPolarHBondContact O-CB 3.05Å; D50-M54 WeakPolarHBondContact O-CG 3.45Å; D50-M54 PolarHBondContact O-N 3.04Å
51	E	79.4	Confident	71.4	Confident	142 Å²	142	102.4 Å²	102.4	66%	0.664	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-49.7	174.5	-171.7	168.9	-164	0	0	111.6	T49 R53 M54 D55	T49-E51 PolarHBondContact O-N 3.44Å; T49-E51 VanDerWaalsContact O-N 3.15Å; E51-R53 VanDerWaalsContact C-N 3.3Å; E51-R53 PolarHBondContact O-N 2.99Å; E51-M54 WeakPolarHBondContact O-CB 3.34Å; E51-M54 PolarHBondContact O-N 3.37Å; E51-M54 VanDerWaalsContact O-N 3.12Å; E51-D55 PolarHBondContact O-N 2.96Å
52	D	76.4	Confident	72	Confident	82 Å²	82	101 Å²	101	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-61.1	-38.5	176.1	-63.4	-54.2	0	0	0	111.9	I48 T49 D55 L56	I48-D52 HydrophobicContact CB-CB 4.49Å; I48-D52 HydrophobicContact CG2-CB 3.37Å; T49-D52 WeakPolarHBondContact CB-OD2 3.49Å; T49-D52 PolarHBondContact N-OD2 2.98Å; T49-D52 VanDerWaalsContact N-OD2 3.17Å; T49-D52 PolarHBondContact O-N 3.47Å; T49-D52 VanDerWaalsContact O-N 3.12Å; T49-D52 PolarHBondContact OG1-N 2.94Å; T49-D52 VanDerWaalsContact OG1-N 3.16Å; T49-D52 PolarHBondContact OG1-OD2 2.78Å; D52-D55 PolarHBondContact O-N 2.87Å; D52-L56 VanDerWaalsContact O-CB 3.25Å; D52-L56 WeakPolarHBondContact O-CB 3.44Å; D52-L56 PolarHBondContact O-N 3.46Å
53	R	71.8	Confident	72.6	Confident	72 Å²	72	98.6 Å²	98.6	27%	0.272	48%	0.48	S	S	.	.	H	α-helix	trans	-61.2	-46.3	174.3	-68.9	-178	-177.3	-135.7	-5.4	110.7	I48 T49 E51 L56 V57	I48-R53 HydrophobicContact CB-CG 4.4Å; I48-R53 HydrophobicContact CG2-CB 4.43Å; I48-R53 HydrophobicContact CG2-CG 3.54Å; T49-R53 PolarHBondContact O-N 3.19Å; E51-R53 VanDerWaalsContact C-N 3.3Å; E51-R53 PolarHBondContact O-N 2.99Å; R53-L56 PolarHBondContact O-N 3.38Å; R53-V57 WeakPolarHBondContact O-CB 3.42Å; R53-V57 VanDerWaalsContact O-CG2 3.27Å; R53-V57 WeakPolarHBondContact O-CG2 3.5Å; R53-V57 PolarHBondContact O-N 3.39Å
54	M	77.1	Confident	73	Confident	139 Å²	139	96.1 Å²	96.1	69%	0.685	47%	0.469	S	S	*	.	H	α-helix	trans	-63.3	-44.5	178.6	-81.8	-165.2	51.6	0	0	112.2	D50 E51 L56 V57 W58	D50-M54 WeakPolarHBondContact O-CB 3.05Å; D50-M54 WeakPolarHBondContact O-CG 3.45Å; D50-M54 PolarHBondContact O-N 3.04Å; E51-M54 WeakPolarHBondContact O-CB 3.34Å; E51-M54 PolarHBondContact O-N 3.37Å; E51-M54 VanDerWaalsContact O-N 3.12Å; M54-L56 VanDerWaalsContact C-N 3.31Å; M54-L56 PolarHBondContact O-N 3.45Å; M54-V57 PolarHBondContact O-N 2.85Å; M54-W58 WeakPolarHBondContact O-CB 3.39Å; M54-W58 PolarHBondContact O-N 3.36Å
55	D	79	Confident	73.8	Confident	96 Å²	96	93 Å²	93	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-61.9	-41.1	178.1	-83.8	-9.5	0	0	0	111.6	E51 D52 W58 Y59	E51-D55 PolarHBondContact O-N 2.96Å; D52-D55 PolarHBondContact O-N 2.87Å; D55-W58 PolarHBondContact O-N 3.02Å; D55-Y59 WeakPolarHBondContact O-CB 3.36Å; D55-Y59 PolarHBondContact O-N 3.44Å
56	L	73.6	Confident	74.6	Confident	55 Å²	55	92.5 Å²	92.5	29%	0.288	45%	0.451	S	S	.	.	H	α-helix	trans	-69.5	-45.3	178.8	-170.5	54.7	0	0	0	112.2	Y40 D52 R53 M54 W58 Y59 T60	Y40-L56 HydrophobicContact CD1-CD2 4.21Å; Y40-L56 HydrophobicContact CE1-CD2 3.37Å; Y40-L56 HydrophobicContact CE2-CD2 3.86Å; Y40-L56 HydrophobicContact CE2-CG 4.22Å; Y40-L56 WeakPolarHBondContact OH-CD2 3.36Å; D52-L56 VanDerWaalsContact O-CB 3.25Å; D52-L56 WeakPolarHBondContact O-CB 3.44Å; D52-L56 PolarHBondContact O-N 3.46Å; R53-L56 PolarHBondContact O-N 3.38Å; M54-L56 VanDerWaalsContact C-N 3.31Å; M54-L56 PolarHBondContact O-N 3.45Å; L56-W58 VanDerWaalsContact C-N 3.3Å; L56-W58 PolarHBondContact O-N 3.43Å; L56-Y59 PolarHBondContact O-N 3.49Å; L56-T60 WeakPolarHBondContact O-CB 3.47Å; L56-T60 PolarHBondContact O-N 3.22Å; L56-T60 PolarHBondContact O-OG1 3.43Å
57	V	75.1	Confident	75.2	Confident	55 Å²	55	91 Å²	91	33%	0.333	44%	0.443	S	S	.	.	H	α-helix	trans	-59.5	-43.6	173.1	169.1	0	0	0	0	110.4	R53 M54 T60 K61	R53-V57 WeakPolarHBondContact O-CB 3.42Å; R53-V57 VanDerWaalsContact O-CG2 3.27Å; R53-V57 WeakPolarHBondContact O-CG2 3.5Å; R53-V57 PolarHBondContact O-N 3.39Å; M54-V57 PolarHBondContact O-N 2.85Å; V57-T60 PolarHBondContact O-N 2.99Å; V57-K61 HydrophobicContact CG1-CD 4.06Å; V57-K61 WeakPolarHBondContact O-CB 3.35Å; V57-K61 WeakPolarHBondContact O-CG 3.45Å; V57-K61 PolarHBondContact O-N 3.14Å
58	W	79.4	Confident	75.7	Confident	142 Å²	142	87.1 Å²	87.1	54%	0.538	42%	0.423	S	S	.	.	H	α-helix	trans	-63.6	-48	177.6	178	94.1	0	0	0	112.1	M54 D55 L56 T60 K61 K62	M54-W58 WeakPolarHBondContact O-CB 3.39Å; M54-W58 PolarHBondContact O-N 3.36Å; D55-W58 PolarHBondContact O-N 3.02Å; L56-W58 VanDerWaalsContact C-N 3.3Å; L56-W58 PolarHBondContact O-N 3.43Å; W58-T60 VanDerWaalsContact C-N 3.31Å; W58-T60 PolarHBondContact O-N 2.82Å; W58-K61 PolarHBondContact O-N 3.21Å; W58-K62 HydrophobicContact CD2-CD 4.17Å; W58-K62 HydrophobicContact CD2-CG 4.34Å; W58-K62 VanDerWaalsContact CE2-CE 3.44Å; W58-K62 HydrophobicContact CE3-CD 4.19Å; W58-K62 HydrophobicContact CH2-CD 3.59Å; W58-K62 HydrophobicContact CZ2-CD 3.55Å; W58-K62 HydrophobicContact CZ2-CG 4.47Å; W58-K62 HydrophobicContact CZ3-CD 3.89Å; W58-K62 PolarHBondContact O-N 2.9Å
59	Y	77	Confident	76.2	Confident	140 Å²	140	90 Å²	90	55%	0.549	44%	0.439	S	S	.	.	H	α-helix	trans	-60.2	-44.5	178.8	178.3	-98	0	0	0	110.6	D55 L56 K62 L63	D55-Y59 WeakPolarHBondContact O-CB 3.36Å; D55-Y59 PolarHBondContact O-N 3.44Å; L56-Y59 PolarHBondContact O-N 3.49Å; Y59-K62 PolarHBondContact O-N 3.07Å; Y59-L63 WeakPolarHBondContact O-CB 3.45Å; Y59-L63 PolarHBondContact O-N 3.05Å
60	T	72.3	Confident	76	Confident	23 Å²	23	90.6 Å²	90.6	14%	0.141	44%	0.443	C	S	.	.	H	α-helix	trans	-68.5	-40.7	-179	-46.2	0	0	0	0	111	Y33 L56 V57 W58 K62 L63 M64	Y33-T60 HydrophobicContact CD2-CG2 3.43Å; Y33-T60 VanDerWaalsContact CD2-CG2 3.43Å; Y33-T60 HydrophobicContact CE2-CG2 3.32Å; L56-T60 WeakPolarHBondContact O-CB 3.47Å; L56-T60 PolarHBondContact O-N 3.22Å; L56-T60 PolarHBondContact O-OG1 3.43Å; V57-T60 PolarHBondContact O-N 2.99Å; W58-T60 VanDerWaalsContact C-N 3.31Å; W58-T60 PolarHBondContact O-N 2.82Å; T60-K62 PolarHBondContact O-N 2.74Å; T60-L63 PolarHBondContact O-N 3.16Å; T60-M64 WeakPolarHBondContact O-CB 3.47Å; T60-M64 PolarHBondContact O-N 3.31Å
61	K	75.1	Confident	75.4	Confident	117 Å²	117	88 Å²	88	51%	0.509	43%	0.426	S	S	.	.	H	α-helix	trans	-60.9	-42	172.1	-79.6	177.6	178.3	173.3	0	112.3	V57 W58 M64 G65	V57-K61 HydrophobicContact CG1-CD 4.06Å; V57-K61 WeakPolarHBondContact O-CB 3.35Å; V57-K61 WeakPolarHBondContact O-CG 3.45Å; V57-K61 PolarHBondContact O-N 3.14Å; W58-K61 PolarHBondContact O-N 3.21Å; K61-M64 PolarHBondContact O-N 3.13Å; K61-G65 PolarHBondContact O-N 2.92Å
62	K	77.2	Confident	75.1	Confident	102 Å²	102	83.7 Å²	83.7	44%	0.443	41%	0.414	S	S	.	.	H	α-helix	trans	-63.5	-45.6	175.2	-84.6	-157.5	168.2	-176.8	0	112.3	W58 Y59 T60 M64 G65 H66	W58-K62 HydrophobicContact CD2-CD 4.17Å; W58-K62 HydrophobicContact CD2-CG 4.34Å; W58-K62 VanDerWaalsContact CE2-CE 3.44Å; W58-K62 HydrophobicContact CE3-CD 4.19Å; W58-K62 HydrophobicContact CH2-CD 3.59Å; W58-K62 HydrophobicContact CZ2-CD 3.55Å; W58-K62 HydrophobicContact CZ2-CG 4.47Å; W58-K62 HydrophobicContact CZ3-CD 3.89Å; W58-K62 PolarHBondContact O-N 2.9Å; Y59-K62 PolarHBondContact O-N 3.07Å; T60-K62 PolarHBondContact O-N 2.74Å; K62-M64 VanDerWaalsContact C-N 3.32Å; K62-M64 PolarHBondContact O-N 2.91Å; K62-G65 PolarHBondContact O-N 2.94Å; K62-H66 PolarHBondContact O-CD2 2.95Å; K62-H66 PolarHBondContact O-N 3.39Å
63	L	76.9	Confident	75	Confident	81 Å²	81	82.6 Å²	82.6	42%	0.424	41%	0.413	S	S	.	.	H	α-helix	trans	-59.1	-45.6	176.3	-178.3	62.8	0	0	0	110.9	Y59 T60 G65 H66 I67	Y59-L63 WeakPolarHBondContact O-CB 3.45Å; Y59-L63 PolarHBondContact O-N 3.05Å; T60-L63 PolarHBondContact O-N 3.16Å; L63-G65 VanDerWaalsContact C-N 3.34Å; L63-G65 PolarHBondContact O-N 3.31Å; L63-H66 PolarHBondContact O-N 3.45Å; L63-I67 HydrophobicContact CD1-CD1 4.28Å; L63-I67 HydrophobicContact CG-CD1 4.06Å; L63-I67 VanDerWaalsContact O-CG1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.35Å; L63-I67 PolarHBondContact O-N 3.48Å
64	M	74.1	Confident	75	Confident	24 Å²	24	81.1 Å²	81.1	12%	0.118	41%	0.412	C	S	.	.	H	α-helix	trans	-61.9	-39.9	175.7	-173.1	59.2	73.5	0	0	112.3	Y33 T60 K61 K62 I67 K68	Y33-M64 HydrophobicContact CD1-CE 4.07Å; Y33-M64 HydrophobicContact CD2-CE 3.53Å; Y33-M64 HydrophobicContact CE2-CB 4.41Å; Y33-M64 HydrophobicContact CE2-CE 4.37Å; Y33-M64 HydrophobicContact CG-CE 3.35Å; T60-M64 WeakPolarHBondContact O-CB 3.47Å; T60-M64 PolarHBondContact O-N 3.31Å; K61-M64 PolarHBondContact O-N 3.13Å; K62-M64 VanDerWaalsContact C-N 3.32Å; K62-M64 PolarHBondContact O-N 2.91Å; M64-I67 PolarHBondContact O-N 3.08Å; M64-K68 WeakPolarHBondContact O-CG 3.36Å; M64-K68 PolarHBondContact O-N 2.99Å
65	G	77.5	Confident	74.7	Confident	29 Å²	29	75.9 Å²	75.9	30%	0.299	39%	0.391	S	S	.	.	H	α-helix	trans	-57.4	-49.9	172.9	0	0	0	0	0	112.4	K61 K62 L63 I67 K68 D69	K61-G65 PolarHBondContact O-N 2.92Å; K62-G65 PolarHBondContact O-N 2.94Å; L63-G65 VanDerWaalsContact C-N 3.34Å; L63-G65 PolarHBondContact O-N 3.31Å; G65-I67 VanDerWaalsContact C-N 3.29Å; G65-I67 PolarHBondContact O-N 3.2Å; G65-K68 PolarHBondContact O-N 3.28Å; G65-K68 VanDerWaalsContact O-N 3.16Å; G65-D69 PolarHBondContact O-N 3.04Å
66	H	76.6	Confident	74.4	Confident	119 Å²	119	75.5 Å²	75.5	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-61	-36.6	176.8	-75.9	-44.5	0	0	0	113.4	K62 L63 D69 T70	K62-H66 PolarHBondContact O-CD2 2.95Å; K62-H66 PolarHBondContact O-N 3.39Å; L63-H66 PolarHBondContact O-N 3.45Å; H66-D69 PolarHBondContact O-N 2.98Å; H66-T70 WeakPolarHBondContact O-CB 3.45Å; H66-T70 PolarHBondContact O-N 2.77Å; H66-T70 PolarHBondContact O-OG1 2.97Å
67	I	72.9	Confident	74.4	Confident	47 Å²	47	78.3 Å²	78.3	24%	0.241	40%	0.404	C	S	.	.	H	α-helix	trans	-68.1	-40.7	177	-67.6	172.2	0	0	0	110.6	L26 L29 L63 M64 G65 T70 F71	L26-I67 HydrophobicContact CD1-CG2 4.11Å; L29-I67 HydrophobicContact CD2-CD1 3.62Å; L29-I67 HydrophobicContact CD2-CG2 3.76Å; L63-I67 HydrophobicContact CD1-CD1 4.28Å; L63-I67 HydrophobicContact CG-CD1 4.06Å; L63-I67 VanDerWaalsContact O-CG1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.35Å; L63-I67 PolarHBondContact O-N 3.48Å; M64-I67 PolarHBondContact O-N 3.08Å; G65-I67 VanDerWaalsContact C-N 3.29Å; G65-I67 PolarHBondContact O-N 3.2Å; I67-T70 PolarHBondContact O-N 3.32Å; I67-F71 PolarHBondContact O-N 3.33Å
68	K	75.1	Confident	74.3	Confident	115 Å²	115	77.5 Å²	77.5	50%	0.5	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-41.7	174.3	-73.7	179.7	178.2	-176.4	0	112.7	M64 G65 T70 F71 A72	M64-K68 WeakPolarHBondContact O-CG 3.36Å; M64-K68 PolarHBondContact O-N 2.99Å; G65-K68 PolarHBondContact O-N 3.28Å; G65-K68 VanDerWaalsContact O-N 3.16Å; K68-T70 VanDerWaalsContact C-N 3.34Å; K68-F71 WeakPolarHBondContact O-CB 3.37Å; K68-F71 PolarHBondContact O-N 3.42Å; K68-A72 PolarHBondContact O-N 3.36Å
69	D	78.2	Confident	74.1	Confident	109 Å²	109	75.5 Å²	75.5	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-64.7	-41.3	176.6	-68.9	-20.8	0	0	0	111.3	G65 H66 F71 A72 S73	G65-D69 PolarHBondContact O-N 3.04Å; H66-D69 PolarHBondContact O-N 2.98Å; D69-F71 VanDerWaalsContact C-N 3.29Å; D69-F71 PolarHBondContact O-N 3.39Å; D69-A72 PolarHBondContact O-N 3.49Å; D69-S73 PolarHBondContact O-N 3Å
70	T	71.9	Confident	74	Confident	86 Å²	86	71.8 Å²	71.8	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-60.6	-40.7	173.8	-56	0	0	0	0	110.7	H66 I67 K68 S73 V74	H66-T70 WeakPolarHBondContact O-CB 3.45Å; H66-T70 PolarHBondContact O-N 2.77Å; H66-T70 PolarHBondContact O-OG1 2.97Å; I67-T70 PolarHBondContact O-N 3.32Å; K68-T70 VanDerWaalsContact C-N 3.34Å; T70-S73 WeakPolarHBondContact O-CB 3.42Å; T70-S73 PolarHBondContact O-N 2.93Å; T70-V74 WeakPolarHBondContact O-CG2 3.36Å; T70-V74 PolarHBondContact O-N 3.16Å
71	F	67.2	Low	74.2	Confident	73 Å²	73	74.5 Å²	74.5	32%	0.32	40%	0.402	S	S	.	.	H	α-helix	trans	-62	-47.7	174.7	177.7	-90.9	0	0	0	112.5	F22 L26 I67 K68 D69 S73 V74 A75	F22-F71 HydrophobicContact CD1-CD2 4.34Å; F22-F71 HydrophobicContact CD1-CE2 4.36Å; F22-F71 AromaticContact CE1-CD2 3.68Å; F22-F71 HydrophobicContact CE1-CD2 3.68Å; F22-F71 HydrophobicContact CE1-CE2 4.14Å; L26-F71 HydrophobicContact CD1-CD2 4.39Å; L26-F71 HydrophobicContact CD2-CD2 3.69Å; L26-F71 HydrophobicContact CD2-CE2 3.84Å; L26-F71 HydrophobicContact CD2-CG 4.23Å; L26-F71 HydrophobicContact CD2-CZ 4.48Å; I67-F71 PolarHBondContact O-N 3.33Å; K68-F71 WeakPolarHBondContact O-CB 3.37Å; K68-F71 PolarHBondContact O-N 3.42Å; D69-F71 VanDerWaalsContact C-N 3.29Å; D69-F71 PolarHBondContact O-N 3.39Å; F71-S73 PolarHBondContact O-N 3.49Å; F71-V74 PolarHBondContact O-N 2.97Å; F71-A75 HydrophobicContact CE1-CB 4.37Å; F71-A75 WeakPolarHBondContact O-CB 3.36Å; F71-A75 PolarHBondContact O-N 3.3Å
72	A	72.7	Confident	74.3	Confident	52 Å²	52	72.6 Å²	72.6	43%	0.43	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-37.6	178	0	0	0	0	0	111.5	K68 D69 T76	K68-A72 PolarHBondContact O-N 3.36Å; D69-A72 PolarHBondContact O-N 3.49Å; A72-T76 WeakPolarHBondContact O-CB 3.42Å; A72-T76 PolarHBondContact O-N 3.49Å; A72-T76 PolarHBondContact O-OG1 3.43Å
73	S	74.7	Confident	74.3	Confident	58 Å²	58	72.7 Å²	72.7	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-63.7	-51.2	173.5	-174	0	0	0	0	112	D69 T70 F71 A75 T76 Q77	D69-S73 PolarHBondContact O-N 3Å; T70-S73 WeakPolarHBondContact O-CB 3.42Å; T70-S73 PolarHBondContact O-N 2.93Å; F71-S73 PolarHBondContact O-N 3.49Å; S73-A75 PolarHBondContact O-N 2.89Å; S73-T76 WeakPolarHBondContact O-CB 3.41Å; S73-T76 PolarHBondContact O-N 3.18Å; S73-Q77 WeakPolarHBondContact O-CG 3.47Å; S73-Q77 PolarHBondContact O-N 2.9Å
74	V	71.1	Confident	73.9	Confident	41 Å²	41	74.1 Å²	74.1	25%	0.248	40%	0.404	C	S	.	.	H	α-helix	trans	-59.8	-45.4	177.5	172.1	0	0	0	0	111.2	F22 T70 F71 T76 Q77 M78	F22-V74 HydrophobicContact CE1-CG1 4.18Å; T70-V74 WeakPolarHBondContact O-CG2 3.36Å; T70-V74 PolarHBondContact O-N 3.16Å; F71-V74 PolarHBondContact O-N 2.97Å; V74-T76 VanDerWaalsContact C-N 3.31Å; V74-T76 PolarHBondContact O-N 3.05Å; V74-Q77 WeakPolarHBondContact O-CB 3.42Å; V74-Q77 PolarHBondContact O-N 3.34Å; V74-Q77 VanDerWaalsContact O-N 3.14Å; V74-M78 HydrophobicContact CG1-CG 4.41Å; V74-M78 HydrophobicContact CG1-SD 4.28Å; V74-M78 WeakPolarHBondContact O-CG 3.3Å; V74-M78 PolarHBondContact O-N 3.46Å
75	A	70.2	Confident	74.1	Confident	30 Å²	30	75.8 Å²	75.8	25%	0.248	41%	0.411	C	S	.	.	H	α-helix	trans	-61.1	-40	177.5	0	0	0	0	0	112.1	F71 S73 M78 N79	F71-A75 HydrophobicContact CE1-CB 4.37Å; F71-A75 WeakPolarHBondContact O-CB 3.36Å; F71-A75 PolarHBondContact O-N 3.3Å; S73-A75 PolarHBondContact O-N 2.89Å; A75-M78 PolarHBondContact O-N 3.24Å; A75-N79 PolarHBondContact O-N 3.02Å; A75-N79 PolarHBondContact O-ND2 3.19Å
76	T	74.6	Confident	74.2	Confident	87 Å²	87	81.1 Å²	81.1	53%	0.534	43%	0.426	S	S	.	.	H	α-helix	trans	-64.3	-41.5	174.3	-58.5	0	0	0	0	111.4	A72 S73 V74 N79 T80	A72-T76 WeakPolarHBondContact O-CB 3.42Å; A72-T76 PolarHBondContact O-N 3.49Å; A72-T76 PolarHBondContact O-OG1 3.43Å; S73-T76 WeakPolarHBondContact O-CB 3.41Å; S73-T76 PolarHBondContact O-N 3.18Å; V74-T76 VanDerWaalsContact C-N 3.31Å; V74-T76 PolarHBondContact O-N 3.05Å; T76-N79 PolarHBondContact O-N 3.27Å; T76-T80 WeakPolarHBondContact O-CB 3.34Å; T76-T80 PolarHBondContact O-N 3.32Å; T76-T80 PolarHBondContact O-OG1 2.92Å
77	Q	72.6	Confident	74.2	Confident	115 Å²	115	81.6 Å²	81.6	54%	0.537	43%	0.43	S	S	.	.	H	α-helix	trans	-63.4	-42.8	175.4	-70.2	173.7	8.6	0	0	111.5	S73 V74 N79 T80 L81	S73-Q77 WeakPolarHBondContact O-CG 3.47Å; S73-Q77 PolarHBondContact O-N 2.9Å; V74-Q77 WeakPolarHBondContact O-CB 3.42Å; V74-Q77 PolarHBondContact O-N 3.34Å; V74-Q77 VanDerWaalsContact O-N 3.14Å; Q77-N79 PolarHBondContact O-N 2.99Å; Q77-T80 WeakPolarHBondContact O-CB 3.45Å; Q77-T80 PolarHBondContact O-N 3.42Å; Q77-L81 WeakPolarHBondContact O-CG 3.43Å; Q77-L81 PolarHBondContact O-N 2.7Å
78	M	72.3	Confident	74.5	Confident	38 Å²	38	86.1 Å²	86.1	19%	0.187	45%	0.448	C	S	.	.	H	α-helix	trans	-63.1	-42	175.9	-67.4	-178	86.5	0	0	112.4	K19 V74 A75 T80 L81 K82	K19-M78 HydrophobicContact CB-CE 3.54Å; K19-M78 HydrophobicContact CD-CE 3.94Å; K19-M78 HydrophobicContact CG-CE 3.75Å; K19-M78 HydrophobicContact CG-SD 4.39Å; V74-M78 HydrophobicContact CG1-CG 4.41Å; V74-M78 HydrophobicContact CG1-SD 4.28Å; V74-M78 WeakPolarHBondContact O-CG 3.3Å; V74-M78 PolarHBondContact O-N 3.46Å; A75-M78 PolarHBondContact O-N 3.24Å; M78-T80 VanDerWaalsContact C-N 3.31Å; M78-T80 PolarHBondContact O-N 3.5Å; M78-L81 PolarHBondContact O-N 3.44Å; M78-K82 WeakPolarHBondContact O-CG 3.37Å; M78-K82 PolarHBondContact O-N 3.46Å
79	N	76.3	Confident	74.8	Confident	100 Å²	100	82.6 Å²	82.6	54%	0.535	44%	0.435	S	S	.	.	H	α-helix	trans	-63.4	-39.9	174.2	-75	-24.3	0	0	0	111.5	A75 T76 Q77 L81 K82 I83	A75-N79 PolarHBondContact O-N 3.02Å; A75-N79 PolarHBondContact O-ND2 3.19Å; T76-N79 PolarHBondContact O-N 3.27Å; Q77-N79 PolarHBondContact O-N 2.99Å; N79-L81 VanDerWaalsContact C-N 3.35Å; N79-K82 PolarHBondContact O-N 3.19Å; N79-I83 WeakPolarHBondContact O-CG1 3.38Å; N79-I83 PolarHBondContact O-N 3.14Å
80	T	75	Confident	75	Confident	61 Å²	61	81.4 Å²	81.4	37%	0.374	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-44	174.7	-52.7	0	0	0	0	111	T76 Q77 M78 K82 I83 M84	T76-T80 WeakPolarHBondContact O-CB 3.34Å; T76-T80 PolarHBondContact O-N 3.32Å; T76-T80 PolarHBondContact O-OG1 2.92Å; Q77-T80 WeakPolarHBondContact O-CB 3.45Å; Q77-T80 PolarHBondContact O-N 3.42Å; M78-T80 VanDerWaalsContact C-N 3.31Å; M78-T80 PolarHBondContact O-N 3.5Å; T80-K82 PolarHBondContact O-N 3.36Å; T80-I83 WeakPolarHBondContact O-CB 3.33Å; T80-I83 PolarHBondContact O-N 3.4Å; T80-M84 HydrophobicContact CG2-CE 3.57Å; T80-M84 WeakPolarHBondContact O-CG 3.28Å; T80-M84 PolarHBondContact O-N 3.33Å
81	L	75.7	Confident	75.4	Confident	80 Å²	80	80.1 Å²	80.1	42%	0.419	43%	0.427	S	S	.	.	H	α-helix	trans	-59.5	-44.6	175.7	-73	170.6	0	0	0	111.8	L15 Q77 M78 N79 I83 M84 E85	L15-L81 HydrophobicContact CD2-CD1 4.38Å; Q77-L81 WeakPolarHBondContact O-CG 3.43Å; Q77-L81 PolarHBondContact O-N 2.7Å; M78-L81 PolarHBondContact O-N 3.44Å; N79-L81 VanDerWaalsContact C-N 3.35Å; L81-I83 VanDerWaalsContact C-N 3.28Å; L81-I83 PolarHBondContact O-N 3.45Å; L81-M84 WeakPolarHBondContact O-CB 3.18Å; L81-M84 PolarHBondContact O-N 3.08Å; L81-M84 VanDerWaalsContact O-N 3.11Å; L81-E85 WeakPolarHBondContact O-CG 3.38Å; L81-E85 PolarHBondContact O-N 2.86Å
82	K	76.7	Confident	76.2	Confident	77 Å²	77	78.3 Å²	78.3	34%	0.335	42%	0.42	S	S	.	.	H	α-helix	trans	-61	-35.8	175.6	-69.9	-175.1	179.4	-158	0	113.2	E16 M78 N79 T80 K86	E16-K82 IonicContact OE2-NZ 3.71Å; M78-K82 WeakPolarHBondContact O-CG 3.37Å; M78-K82 PolarHBondContact O-N 3.46Å; N79-K82 PolarHBondContact O-N 3.19Å; T80-K82 PolarHBondContact O-N 3.36Å; K82-K86 PolarHBondContact O-N 2.92Å; K82-K86 VanDerWaalsContact O-N 3.12Å
83	I	77.6	Confident	76.9	Confident	104 Å²	104	81.2 Å²	81.2	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-67.1	-45.1	174.3	-67	165.8	0	0	0	110	N79 T80 L81 E85 K86 M87	N79-I83 WeakPolarHBondContact O-CG1 3.38Å; N79-I83 PolarHBondContact O-N 3.14Å; T80-I83 WeakPolarHBondContact O-CB 3.33Å; T80-I83 PolarHBondContact O-N 3.4Å; L81-I83 VanDerWaalsContact C-N 3.28Å; L81-I83 PolarHBondContact O-N 3.45Å; I83-E85 VanDerWaalsContact C-N 3.34Å; I83-E85 PolarHBondContact O-N 3.48Å; I83-K86 PolarHBondContact O-N 3.34Å; I83-M87 HydrophobicContact CG2-CG 4.44Å; I83-M87 HydrophobicContact CG2-SD 4.22Å; I83-M87 WeakPolarHBondContact O-CG 3.36Å; I83-M87 PolarHBondContact O-N 3.49Å
84	M	69.3	Low	77.4	Confident	112 Å²	112	80.6 Å²	80.6	55%	0.552	42%	0.423	S	S	*	.	H	α-helix	trans	-60.7	-42.4	176.7	-66.7	-167.8	-149.3	0	0	111.9	T80 L81 K86 M87 F88	T80-M84 HydrophobicContact CG2-CE 3.57Å; T80-M84 WeakPolarHBondContact O-CG 3.28Å; T80-M84 PolarHBondContact O-N 3.33Å; L81-M84 WeakPolarHBondContact O-CB 3.18Å; L81-M84 PolarHBondContact O-N 3.08Å; L81-M84 VanDerWaalsContact O-N 3.11Å; M84-K86 PolarHBondContact O-N 2.91Å; M84-M87 PolarHBondContact O-N 2.89Å; M84-F88 WeakPolarHBondContact O-CB 3.19Å; M84-F88 PolarHBondContact O-N 3.19Å
85	E	78.1	Confident	77.9	Confident	59 Å²	59	81.1 Å²	81.1	28%	0.276	43%	0.432	S	S	.	.	H	α-helix	trans	-56.6	-48.4	174.2	-73.6	177.8	155.6	0	0	111.3	L15 L81 I83 M87 F88 D89	L15-E85 WeakPolarHBondContact CD1-OE1 3.33Å; L81-E85 WeakPolarHBondContact O-CG 3.38Å; L81-E85 PolarHBondContact O-N 2.86Å; I83-E85 VanDerWaalsContact C-N 3.34Å; I83-E85 PolarHBondContact O-N 3.48Å; E85-M87 VanDerWaalsContact C-N 3.34Å; E85-M87 PolarHBondContact O-N 3.47Å; E85-F88 WeakPolarHBondContact O-CB 3.07Å; E85-F88 PolarHBondContact O-N 2.89Å; E85-F88 VanDerWaalsContact O-N 3.14Å; E85-D89 PolarHBondContact O-N 3.28Å
86	K	80.6	Confident	78.7	Confident	141 Å²	141	84.4 Å²	84.4	61%	0.613	44%	0.44	S	S	*	.	H	α-helix	trans	-64	-38.1	178	-171.8	177	-178.8	179.8	0	112.7	K82 I83 M84 F88 D89 N90	K82-K86 PolarHBondContact O-N 2.92Å; K82-K86 VanDerWaalsContact O-N 3.12Å; I83-K86 PolarHBondContact O-N 3.34Å; M84-K86 PolarHBondContact O-N 2.91Å; K86-F88 VanDerWaalsContact C-N 3.29Å; K86-D89 PolarHBondContact O-N 3.43Å; K86-N90 VanDerWaalsContact O-CG 3.23Å; K86-N90 PolarHBondContact O-N 2.83Å; K86-N90 PolarHBondContact O-OD1 3.43Å
87	M	75.4	Confident	79.2	Confident	128 Å²	128	86.4 Å²	86.4	63%	0.631	44%	0.444	S	S	*	.	H	α-helix	trans	-64.6	-37	175.1	-71.8	-177.9	73.5	0	0	111.5	I83 M84 E85 A91	I83-M87 HydrophobicContact CG2-CG 4.44Å; I83-M87 HydrophobicContact CG2-SD 4.22Å; I83-M87 WeakPolarHBondContact O-CG 3.36Å; I83-M87 PolarHBondContact O-N 3.49Å; M84-M87 PolarHBondContact O-N 2.89Å; E85-M87 VanDerWaalsContact C-N 3.34Å; E85-M87 PolarHBondContact O-N 3.47Å; M87-A91 WeakPolarHBondContact O-CB 3.27Å; M87-A91 PolarHBondContact O-N 3.43Å; M87-A91 VanDerWaalsContact O-N 3.07Å
88	F	78.9	Confident	79.6	Confident	143 Å²	143	86.6 Å²	86.6	63%	0.627	45%	0.448	S	S	*	.	H	α-helix	trans	-67.7	-45.5	176.6	-162.9	-101.6	0	0	0	111.6	M84 E85 K86 N90 A91 I92	M84-F88 WeakPolarHBondContact O-CB 3.19Å; M84-F88 PolarHBondContact O-N 3.19Å; E85-F88 WeakPolarHBondContact O-CB 3.07Å; E85-F88 PolarHBondContact O-N 2.89Å; E85-F88 VanDerWaalsContact O-N 3.14Å; K86-F88 VanDerWaalsContact C-N 3.29Å; F88-N90 PolarHBondContact O-N 3.45Å; F88-A91 PolarHBondContact O-N 3.21Å; F88-A91 VanDerWaalsContact O-N 3.15Å; F88-I92 HydrophobicContact CD1-CD1 3.43Å; F88-I92 VanDerWaalsContact CD1-CD1 3.43Å; F88-I92 HydrophobicContact CD1-CG1 4.3Å; F88-I92 HydrophobicContact CE1-CD1 3.36Å; F88-I92 HydrophobicContact CE1-CG1 4.17Å; F88-I92 HydrophobicContact CG-CD1 4.41Å; F88-I92 HydrophobicContact CZ-CD1 4.28Å; F88-I92 WeakPolarHBondContact O-CG1 3.19Å; F88-I92 PolarHBondContact O-N 3.03Å
89	D	82.3	Confident	80	Confident	40 Å²	40	92.9 Å²	92.9	21%	0.214	48%	0.477	C	S	.	.	H	α-helix	trans	-56	-48.9	174.7	-73.2	-20.1	0	0	0	111	R8 E85 K86 A91 I92 E93	R8-D89 IonicContact CZ-OD1 3.88Å; R8-D89 IonicContact CZ-OD2 3.59Å; R8-D89 IonicContact NE-OD1 3.48Å; R8-D89 PolarHBondContact NE-OD1 3.45Å; R8-D89 IonicContact NE-OD2 3.65Å; R8-D89 IonicContact NH2-OD1 2.73Å; R8-D89 IonicContact NH2-OD2 2.72Å; R8-D89 PolarHBondContact NH2-OD2 2.94Å; E85-D89 PolarHBondContact O-N 3.28Å; K86-D89 PolarHBondContact O-N 3.43Å; D89-A91 VanDerWaalsContact C-N 3.31Å; D89-A91 PolarHBondContact O-N 2.66Å; D89-I92 PolarHBondContact O-N 3.43Å; D89-E93 WeakPolarHBondContact O-CG 3.22Å; D89-E93 PolarHBondContact O-N 3.29Å
90	N	82	Confident	80	Confident	85 Å²	85	96.8 Å²	96.8	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-61.4	-37.2	177.7	-70.4	-5	0	0	0	112.8	K86 F88 E93 A94	K86-N90 VanDerWaalsContact O-CG 3.23Å; K86-N90 PolarHBondContact O-N 2.83Å; K86-N90 PolarHBondContact O-OD1 3.43Å; F88-N90 PolarHBondContact O-N 3.45Å; N90-E93 PolarHBondContact O-N 2.69Å; N90-A94 WeakPolarHBondContact O-CB 3.39Å; N90-A94 PolarHBondContact O-N 3.46Å
91	A	81.4	Confident	79.7	Confident	59 Å²	59	103 Å²	103	49%	0.488	52%	0.521	S	S	.	.	H	α-helix	trans	-69.1	-38.4	178.6	0	0	0	0	0	111.8	M87 F88 D89 A95	M87-A91 WeakPolarHBondContact O-CB 3.27Å; M87-A91 PolarHBondContact O-N 3.43Å; M87-A91 VanDerWaalsContact O-N 3.07Å; F88-A91 PolarHBondContact O-N 3.21Å; F88-A91 VanDerWaalsContact O-N 3.15Å; D89-A91 VanDerWaalsContact C-N 3.31Å; D89-A91 PolarHBondContact O-N 2.66Å; A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.98Å
92	I	82.5	Confident	79.9	Confident	34 Å²	34	104.2 Å²	104.2	17%	0.174	53%	0.526	C	S	.	.	H	α-helix	trans	-64.9	-44.3	173.5	-68.2	161.2	0	0	0	110.6	E4 F88 D89 A95 K96	E4-I92 WeakPolarHBondContact OE1-CD1 3.25Å; F88-I92 HydrophobicContact CD1-CD1 3.43Å; F88-I92 VanDerWaalsContact CD1-CD1 3.43Å; F88-I92 HydrophobicContact CD1-CG1 4.3Å; F88-I92 HydrophobicContact CE1-CD1 3.36Å; F88-I92 HydrophobicContact CE1-CG1 4.17Å; F88-I92 HydrophobicContact CG-CD1 4.41Å; F88-I92 HydrophobicContact CZ-CD1 4.28Å; F88-I92 WeakPolarHBondContact O-CG1 3.19Å; F88-I92 PolarHBondContact O-N 3.03Å; D89-I92 PolarHBondContact O-N 3.43Å; I92-A95 PolarHBondContact O-N 3.38Å; I92-K96 HydrophobicContact CG2-CD 3.98Å; I92-K96 VanDerWaalsContact CG2-CE 3.47Å; I92-K96 HydrophobicContact CG2-CG 4.49Å; I92-K96 WeakPolarHBondContact O-CG 3.46Å; I92-K96 PolarHBondContact O-N 3.15Å
93	E	87.6	Confident	80.1	Confident	114 Å²	114	105.6 Å²	105.6	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-60.4	-47	176.3	-73.5	-180	175.9	0	0	111.4	D89 N90 A95 K96 E97	D89-E93 WeakPolarHBondContact O-CG 3.22Å; D89-E93 PolarHBondContact O-N 3.29Å; N90-E93 PolarHBondContact O-N 2.69Å; E93-A95 VanDerWaalsContact C-N 3.32Å; E93-A95 PolarHBondContact O-N 2.79Å; E93-K96 PolarHBondContact O-N 3.46Å; E93-E97 WeakPolarHBondContact O-CG 3.47Å; E93-E97 PolarHBondContact O-N 3.42Å
94	A	84.9	Confident	80.2	Confident	45 Å²	45	105.7 Å²	105.7	37%	0.372	54%	0.536	S	S	.	.	H	α-helix	trans	-62	-37.4	176.6	0	0	0	0	0	112.9	N90 E97 N98	N90-A94 WeakPolarHBondContact O-CB 3.39Å; N90-A94 PolarHBondContact O-N 3.46Å; A94-E97 PolarHBondContact O-N 2.99Å; A94-N98 WeakPolarHBondContact O-CB 3.49Å; A94-N98 PolarHBondContact O-N 3.12Å; A94-N98 PolarHBondContact O-ND2 3.15Å
95	A	83	Confident	80.8	Confident	52 Å²	52	105.4 Å²	105.4	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-65	-43.6	174.3	0	0	0	0	0	111.7	A91 I92 E93 E97 N98 E99	A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.98Å; I92-A95 PolarHBondContact O-N 3.38Å; E93-A95 VanDerWaalsContact C-N 3.32Å; E93-A95 PolarHBondContact O-N 2.79Å; A95-E97 VanDerWaalsContact C-N 3.32Å; A95-E97 PolarHBondContact O-N 3.12Å; A95-N98 PolarHBondContact O-N 3.16Å; A95-E99 PolarHBondContact O-N 2.87Å; A95-E99 VanDerWaalsContact O-N 3.08Å
96	K	85.2	Confident	81	Confident	98 Å²	98	108.3 Å²	108.3	43%	0.426	55%	0.551	S	S	.	*	H	α-helix	trans	-64.7	-34	176.3	-73.2	171.2	-179.8	167.5	0	112.7	I92 E93	I92-K96 HydrophobicContact CG2-CD 3.98Å; I92-K96 VanDerWaalsContact CG2-CE 3.47Å; I92-K96 HydrophobicContact CG2-CG 4.49Å; I92-K96 WeakPolarHBondContact O-CG 3.46Å; I92-K96 PolarHBondContact O-N 3.15Å; E93-K96 PolarHBondContact O-N 3.46Å
97	E	86.1	Confident	81	Confident	130 Å²	130	106.1 Å²	106.1	61%	0.607	55%	0.547	S	S	*	.	H	α-helix	trans	-71	-40.2	174.6	-74.1	-176.8	171	0	0	112	E93 A94 A95 E99 K100 N101	E93-E97 WeakPolarHBondContact O-CG 3.47Å; E93-E97 PolarHBondContact O-N 3.42Å; A94-E97 PolarHBondContact O-N 2.99Å; A95-E97 VanDerWaalsContact C-N 3.32Å; A95-E97 PolarHBondContact O-N 3.12Å; E97-E99 VanDerWaalsContact C-N 3.32Å; E97-E99 PolarHBondContact O-N 3Å; E97-K100 PolarHBondContact O-N 3.17Å; E97-N101 PolarHBondContact O-ND2 3.35Å
98	N	81.2	Confident	81.5	Confident	119 Å²	119	104.5 Å²	104.5	64%	0.636	54%	0.541	S	S	*	.	H	α-helix	trans	-65.6	-31.4	175.5	-79.4	-21.8	0	0	0	113.2	A94 A95 K100	A94-N98 WeakPolarHBondContact O-CB 3.49Å; A94-N98 PolarHBondContact O-N 3.12Å; A94-N98 PolarHBondContact O-ND2 3.15Å; A95-N98 PolarHBondContact O-N 3.16Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 2.68Å
99	E	80	Confident	81.6	Confident	170 Å²	170	101.5 Å²	101.5	79%	0.794	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.4	175	-75.2	-176.7	166.7	0	0	113.8	A95 E97	A95-E99 PolarHBondContact O-N 2.87Å; A95-E99 VanDerWaalsContact O-N 3.08Å; E97-E99 VanDerWaalsContact C-N 3.32Å; E97-E99 PolarHBondContact O-N 3Å
100	K	77.4	Confident	81.6	Confident	182 Å²	182	106.7 Å²	106.7	79%	0.791	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-17.2	179.5	-74.1	179.5	-179.3	175.7	0	113.9	E97 N98	E97-K100 PolarHBondContact O-N 3.17Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 2.68Å
101	N	67.9	Low	81.6	Confident	192 Å²	192	108.6 Å²	108.6	100%	1.027	57%	0.571	S	S	*	*			trans	-100.8	0	-179	-68.8	-37.4	0	0	0	111.2	E97	E97-N101 PolarHBondContact O-ND2 3.35Å

Retrieved 101 of 101 residues in 131.8 ms (Link to these results)

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