A0A077Z5H4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5H4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 101 aa.

						>A0A077Z5H4_TRITR|A0A077Z5H4
MDSSSAICEFTYDNMFEHIEKMIRLELLINNPSEEAKSLVKLMSKLVRSELVMDIVKTASNPVSAANLLQIGCGDMSECYDENVIDKLVNFFNGSDEAAQL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	43.4	Very low	238 Å²	238	114.6 Å²	114.6	100%	1.172	66%	0.661	S	S	*	*				0	76.8	0	-77.5	-178.8	160.9	0	0	105.9	S3	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.5Å
2	D	33.9	Very low	43.8	Very low	165 Å²	165	118.7 Å²	118.7	88%	0.882	66%	0.66	S	S	*	*			trans	-89	87.2	168.9	-73.4	-29.5	0	0	0	105.5	S4	D2-S4 PolarHBondContact O-N 3.44Å
3	S	43	Very low	44.5	Very low	99 Å²	99	120.2 Å²	120.2	69%	0.692	67%	0.666	S	S	*	*			trans	-64.3	85.5	155.1	-174.8	0	0	0	0	104.5	M1 S5	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.5Å; S3-S5 PolarHBondContact O-N 3.19Å; S3-S5 PolarHBondContact O-OG 2.72Å
4	S	40.6	Very low	45.6	Very low	104 Å²	104	113.2 Å²	113.2	73%	0.727	63%	0.627	S	S	*	*			trans	-67.7	76.5	154.7	67.2	0	0	0	0	104.8	D2 A6	D2-S4 PolarHBondContact O-N 3.44Å; S4-A6 PolarHBondContact O-N 3.14Å
5	S	43.1	Very low	46.2	Very low	80 Å²	80	108.5 Å²	108.5	56%	0.559	60%	0.599	S	S	*	*			trans	-56	91.6	149.4	19.7	0	0	0	0	103	S3 I7	S3-S5 PolarHBondContact O-N 3.19Å; S3-S5 PolarHBondContact O-OG 2.72Å; S5-I7 PolarHBondContact O-N 3.37Å
6	A	42.8	Very low	46.9	Very low	85 Å²	85	106.3 Å²	106.3	70%	0.702	58%	0.581	S	S	*	*			trans	-56.3	97.2	162.1	0	0	0	0	0	102.3	S4 C8	S4-A6 PolarHBondContact O-N 3.14Å; A6-C8 PolarHBondContact O-N 3.07Å
7	I	44.2	Very low	47.7	Very low	154 Å²	154	104.4 Å²	104.4	79%	0.79	57%	0.568	S	S	*	*			trans	-51.1	101.6	167.6	-63.6	166	0	0	0	101.6	S5 E9	S5-I7 PolarHBondContact O-N 3.37Å; I7-E9 PolarHBondContact O-N 3.32Å
8	C	50.4	Low	48.5	Very low	65 Å²	65	101.4 Å²	101.4	44%	0.439	55%	0.549	S	S	.	.			trans	-65.4	93	174.1	-175	0	0	0	0	102.7	A6 F10	A6-C8 PolarHBondContact O-N 3.07Å; C8-F10 PolarHBondContact O-N 2.67Å
9	E	46.1	Very low	49	Very low	144 Å²	144	96.7 Å²	96.7	67%	0.673	52%	0.524	S	S	*	.			trans	-54.8	116.2	-178.7	-175.4	178.6	-173.8	0	0	104.8	I7 T11 N14	I7-E9 PolarHBondContact O-N 3.32Å; E9-T11 HydrophobicContact CB-CG2 4.04Å; E9-T11 HydrophobicContact CG-CG2 3.76Å; E9-T11 PolarHBondContact O-N 3.12Å; E9-N14 PolarHBondContact O-ND2 3.27Å
10	F	45.3	Very low	49.7	Very low	81 Å²	81	92.2 Å²	92.2	36%	0.355	50%	0.499	S	S	.	.			trans	-71.1	81.6	177.4	-169.3	-99.4	0	0	0	107	C8 N14 M15 H18 K87	C8-F10 PolarHBondContact O-N 2.67Å; F10-N14 WeakPolarHBondContact CA-OD1 3.48Å; F10-M15 HydrophobicContact CD1-CB 4.29Å; F10-M15 HydrophobicContact CE1-CB 3.62Å; F10-M15 HydrophobicContact CE1-CG 3.48Å; F10-M15 VanDerWaalsContact CE1-CG 3.48Å; F10-M15 HydrophobicContact CE1-SD 3.74Å; F10-M15 HydrophobicContact CE2-CB 4.29Å; F10-M15 HydrophobicContact CE2-CG 4.46Å; F10-M15 HydrophobicContact CZ-CB 3.64Å; F10-M15 HydrophobicContact CZ-CG 3.45Å; F10-M15 VanDerWaalsContact CZ-CG 3.45Å; F10-M15 HydrophobicContact CZ-SD 4.26Å; F10-H18 HydrophobicContact CE2-CB 4.1Å; F10-K87 HydrophobicContact CZ-CD 4.4Å
11	T	50.4	Low	50.5	Low	46 Å²	46	89 Å²	89	28%	0.282	48%	0.481	S	S	.	.			trans	-81	158	178	62.6	0	0	0	0	108.8	E9 D13 N14 M15	E9-T11 HydrophobicContact CB-CG2 4.04Å; E9-T11 HydrophobicContact CG-CG2 3.76Å; E9-T11 PolarHBondContact O-N 3.12Å; T11-D13 PolarHBondContact O-N 3.25Å; T11-D13 VanDerWaalsContact O-N 3.11Å; T11-N14 PolarHBondContact N-OD1 3.23Å; T11-N14 PolarHBondContact O-N 2.87Å; T11-N14 VanDerWaalsContact O-N 3.16Å; T11-N14 PolarHBondContact O-OD1 3.43Å; T11-N14 PolarHBondContact OG1-N 2.79Å; T11-M15 WeakPolarHBondContact O-CB 3.45Å; T11-M15 PolarHBondContact O-N 2.87Å
12	Y	47.9	Very low	51.9	Low	163 Å²	163	79.5 Å²	79.5	64%	0.639	43%	0.433	S	S	*	.	H	α-helix	trans	-53.5	-32.7	171.9	-172.1	-98	0	0	0	111.9	M15 F16	Y12-M15 HydrophobicContact CD2-CE 3.78Å; Y12-M15 HydrophobicContact CE2-CE 3.92Å; Y12-F16 HydrophobicContact CD1-CE2 4.11Å; Y12-F16 HydrophobicContact CD2-CE2 4.24Å; Y12-F16 HydrophobicContact CE1-CD2 4.36Å; Y12-F16 AromaticContact CE1-CE2 3.57Å; Y12-F16 HydrophobicContact CE1-CE2 3.57Å; Y12-F16 HydrophobicContact CE1-CZ 4.46Å; Y12-F16 AromaticContact CE2-CE2 3.72Å; Y12-F16 HydrophobicContact CE2-CE2 3.72Å; Y12-F16 HydrophobicContact CE2-CZ 4.21Å; Y12-F16 HydrophobicContact CG-CE2 4.43Å; Y12-F16 AromaticContact CZ-CE2 3.36Å; Y12-F16 AromaticContact CZ-CZ 3.89Å; Y12-F16 WeakPolarHBondContact O-CD2 3.22Å
13	D	53.8	Low	53.5	Low	138 Å²	138	72.8 Å²	72.8	74%	0.738	40%	0.397	S	S	*	.	H	α-helix	trans	-68.8	-36.1	-178.8	-62.7	-26.7	0	0	0	113	T11	T11-D13 PolarHBondContact O-N 3.25Å; T11-D13 VanDerWaalsContact O-N 3.11Å
14	N	59.8	Low	54.7	Low	23 Å²	23	68.1 Å²	68.1	12%	0.123	36%	0.364	C	S	.	.	H	α-helix	trans	-92.8	-19.9	175.7	71.4	16.7	0	0	0	113.3	E9 F10 T11 F16 E17 H18	E9-N14 PolarHBondContact O-ND2 3.27Å; F10-N14 WeakPolarHBondContact CA-OD1 3.48Å; T11-N14 PolarHBondContact N-OD1 3.23Å; T11-N14 PolarHBondContact O-N 2.87Å; T11-N14 VanDerWaalsContact O-N 3.16Å; T11-N14 PolarHBondContact O-OD1 3.43Å; T11-N14 PolarHBondContact OG1-N 2.79Å; N14-F16 VanDerWaalsContact C-N 3.34Å; N14-F16 PolarHBondContact O-N 2.94Å; N14-E17 WeakPolarHBondContact O-CB 3.15Å; N14-E17 PolarHBondContact O-N 2.95Å; N14-E17 VanDerWaalsContact O-N 3.13Å; N14-H18 WeakPolarHBondContact O-CB 3.21Å; N14-H18 PolarHBondContact O-CD2 2.84Å; N14-H18 PolarHBondContact O-N 3.5Å
15	M	54.5	Low	56	Low	42 Å²	42	64.3 Å²	64.3	21%	0.207	34%	0.336	C	S	.	.	H	α-helix	trans	-55.2	-47.7	179.8	173.1	174.8	83.6	0	0	111.8	F10 T11 Y12 E17 H18 I19	F10-M15 HydrophobicContact CD1-CB 4.29Å; F10-M15 HydrophobicContact CE1-CB 3.62Å; F10-M15 HydrophobicContact CE1-CG 3.48Å; F10-M15 VanDerWaalsContact CE1-CG 3.48Å; F10-M15 HydrophobicContact CE1-SD 3.74Å; F10-M15 HydrophobicContact CE2-CB 4.29Å; F10-M15 HydrophobicContact CE2-CG 4.46Å; F10-M15 HydrophobicContact CZ-CB 3.64Å; F10-M15 HydrophobicContact CZ-CG 3.45Å; F10-M15 VanDerWaalsContact CZ-CG 3.45Å; F10-M15 HydrophobicContact CZ-SD 4.26Å; T11-M15 WeakPolarHBondContact O-CB 3.45Å; T11-M15 PolarHBondContact O-N 2.87Å; Y12-M15 HydrophobicContact CD2-CE 3.78Å; Y12-M15 HydrophobicContact CE2-CE 3.92Å; M15-E17 VanDerWaalsContact C-N 3.35Å; M15-H18 PolarHBondContact O-N 3.1Å; M15-I19 HydrophobicContact CG-CD1 3.57Å; M15-I19 HydrophobicContact CG-CG1 4.2Å; M15-I19 VanDerWaalsContact O-CB 3.25Å; M15-I19 WeakPolarHBondContact O-CB 3.39Å; M15-I19 VanDerWaalsContact O-CG1 3.27Å; M15-I19 WeakPolarHBondContact O-CG1 3.36Å; M15-I19 PolarHBondContact O-N 3.36Å; M15-I19 HydrophobicContact SD-CD1 4.24Å
16	F	57.6	Low	57.4	Low	73 Å²	73	64.8 Å²	64.8	32%	0.32	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-42.6	178.4	-75.9	-79.5	0	0	0	111.8	Y12 N14 H18 E20 V47	Y12-F16 HydrophobicContact CD1-CE2 4.11Å; Y12-F16 HydrophobicContact CD2-CE2 4.24Å; Y12-F16 HydrophobicContact CE1-CD2 4.36Å; Y12-F16 AromaticContact CE1-CE2 3.57Å; Y12-F16 HydrophobicContact CE1-CE2 3.57Å; Y12-F16 HydrophobicContact CE1-CZ 4.46Å; Y12-F16 AromaticContact CE2-CE2 3.72Å; Y12-F16 HydrophobicContact CE2-CE2 3.72Å; Y12-F16 HydrophobicContact CE2-CZ 4.21Å; Y12-F16 HydrophobicContact CG-CE2 4.43Å; Y12-F16 AromaticContact CZ-CE2 3.36Å; Y12-F16 AromaticContact CZ-CZ 3.89Å; Y12-F16 WeakPolarHBondContact O-CD2 3.22Å; N14-F16 VanDerWaalsContact C-N 3.34Å; N14-F16 PolarHBondContact O-N 2.94Å; F16-H18 VanDerWaalsContact C-N 3.28Å; F16-H18 PolarHBondContact O-N 3.08Å; F16-E20 WeakPolarHBondContact O-CB 3.45Å; F16-E20 PolarHBondContact O-N 3.35Å; F16-V47 HydrophobicContact CB-CG1 4.29Å
17	E	60.5	Low	58.9	Low	75 Å²	75	62.8 Å²	62.8	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-39.6	177.2	-168.8	-178.5	170.1	0	0	111.1	N14 M15 K21	N14-E17 WeakPolarHBondContact O-CB 3.15Å; N14-E17 PolarHBondContact O-N 2.95Å; N14-E17 VanDerWaalsContact O-N 3.13Å; M15-E17 VanDerWaalsContact C-N 3.35Å; E17-K21 HydrophobicContact CG-CD 4.15Å; E17-K21 VanDerWaalsContact O-CB 3.27Å; E17-K21 WeakPolarHBondContact O-CB 3.42Å; E17-K21 WeakPolarHBondContact O-CD 3.49Å; E17-K21 WeakPolarHBondContact O-CG 3.44Å; E17-K21 PolarHBondContact O-N 3.44Å; E17-K21 WeakPolarHBondContact OE1-CE 3.45Å; E17-K21 IonicContact OE1-NZ 2.64Å; E17-K21 PolarHBondContact OE1-NZ 3.5Å
18	H	61.8	Low	60.3	Low	50 Å²	50	55.5 Å²	55.5	23%	0.231	27%	0.269	C	S	.	.	H	α-helix	trans	-71.4	-51.2	178.7	-73.1	-61.4	0	0	0	113.4	F10 N14 M15 F16 E20 K21 M22	F10-H18 HydrophobicContact CE2-CB 4.1Å; N14-H18 WeakPolarHBondContact O-CB 3.21Å; N14-H18 PolarHBondContact O-CD2 2.84Å; N14-H18 PolarHBondContact O-N 3.5Å; M15-H18 PolarHBondContact O-N 3.1Å; F16-H18 VanDerWaalsContact C-N 3.28Å; F16-H18 PolarHBondContact O-N 3.08Å; H18-E20 PolarHBondContact O-N 2.78Å; H18-K21 PolarHBondContact O-N 2.91Å; H18-M22 WeakPolarHBondContact O-CB 3.45Å; H18-M22 WeakPolarHBondContact O-CG 3.45Å; H18-M22 PolarHBondContact O-N 3.05Å; H18-M22 VanDerWaalsContact O-N 3.13Å
19	I	57.5	Low	61.4	Low	13 Å²	13	56.4 Å²	56.4	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-49.4	-49.7	173.3	-81	178.1	0	0	0	109.1	M15 M22 I23 L88	M15-I19 HydrophobicContact CG-CD1 3.57Å; M15-I19 HydrophobicContact CG-CG1 4.2Å; M15-I19 VanDerWaalsContact O-CB 3.25Å; M15-I19 WeakPolarHBondContact O-CB 3.39Å; M15-I19 VanDerWaalsContact O-CG1 3.27Å; M15-I19 WeakPolarHBondContact O-CG1 3.36Å; M15-I19 PolarHBondContact O-N 3.36Å; M15-I19 HydrophobicContact SD-CD1 4.24Å; I19-M22 PolarHBondContact O-N 3.32Å; I19-I23 HydrophobicContact CG2-CD1 3.81Å; I19-I23 VanDerWaalsContact O-CD1 3.27Å; I19-I23 WeakPolarHBondContact O-CD1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.3Å; I19-I23 PolarHBondContact O-N 3.23Å; I19-I23 VanDerWaalsContact O-N 3.09Å; I19-L88 HydrophobicContact CB-CD2 3.59Å; I19-L88 HydrophobicContact CB-CG 4.4Å; I19-L88 HydrophobicContact CD1-CD2 4.48Å; I19-L88 HydrophobicContact CG1-CD2 3.67Å; I19-L88 HydrophobicContact CG1-CG 4.19Å; I19-L88 HydrophobicContact CG2-CD2 3.29Å; I19-L88 WeakPolarHBondContact O-CD1 3.22Å
20	E	64.1	Low	62.8	Low	5 Å²	5	55.2 Å²	55.2	2%	0.023	27%	0.267	C	S	.	.	H	α-helix	trans	-74	-43.2	-173.8	-169	-139	-172.6	0	0	112.6	F16 H18 M22 I23 R24 M43 S44 V47	F16-E20 WeakPolarHBondContact O-CB 3.45Å; F16-E20 PolarHBondContact O-N 3.35Å; H18-E20 PolarHBondContact O-N 2.78Å; E20-M22 PolarHBondContact O-N 2.95Å; E20-I23 PolarHBondContact O-N 3.12Å; E20-R24 VanDerWaalsContact CD-NE 3.33Å; E20-R24 VanDerWaalsContact CD-NH1 3.34Å; E20-R24 WeakPolarHBondContact O-CD 3.25Å; E20-R24 WeakPolarHBondContact O-CG 3.49Å; E20-R24 PolarHBondContact O-N 2.96Å; E20-R24 IonicContact OE1-CZ 4Å; E20-R24 IonicContact OE1-NE 3.71Å; E20-R24 PolarHBondContact OE1-NE 2.85Å; E20-R24 VanDerWaalsContact OE1-NE 3.1Å; E20-R24 IonicContact OE1-NH1 2.63Å; E20-R24 IonicContact OE1-NH2 2.92Å; E20-R24 PolarHBondContact OE1-NH2 3.32Å; E20-R24 IonicContact OE2-CZ 2.79Å; E20-R24 IonicContact OE2-NE 2.75Å; E20-R24 IonicContact OE2-NH1 2.75Å; E20-R24 PolarHBondContact OE2-NH1 2.82Å; E20-R24 IonicContact OE2-NH2 2.8Å; E20-R24 PolarHBondContact OE2-NH2 3.15Å; E20-M43 HydrophobicContact CB-CE 4.49Å; E20-M43 HydrophobicContact CG-CB 3.88Å; E20-M43 HydrophobicContact CG-CE 3.83Å; E20-M43 WeakPolarHBondContact OE1-CB 3.35Å; E20-S44 WeakPolarHBondContact OE1-CA 3.42Å; E20-S44 PolarHBondContact OE1-N 3.42Å; E20-V47 HydrophobicContact CB-CG1 3.91Å; E20-V47 HydrophobicContact CG-CG1 3.85Å; E20-V47 WeakPolarHBondContact OE1-CG2 3.44Å; E20-V47 WeakPolarHBondContact OE2-CB 3.47Å; E20-V47 VanDerWaalsContact OE2-CG1 3.25Å; E20-V47 WeakPolarHBondContact OE2-CG1 3.27Å; E20-V47 WeakPolarHBondContact OE2-CG2 3.45Å
21	K	65.6	Low	64.4	Low	27 Å²	27	55.9 Å²	55.9	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-52.5	-44	173.2	-81.9	171.2	-179.5	171.1	0	112.2	E17 H18 R24 L25	E17-K21 HydrophobicContact CG-CD 4.15Å; E17-K21 VanDerWaalsContact O-CB 3.27Å; E17-K21 WeakPolarHBondContact O-CB 3.42Å; E17-K21 WeakPolarHBondContact O-CD 3.49Å; E17-K21 WeakPolarHBondContact O-CG 3.44Å; E17-K21 PolarHBondContact O-N 3.44Å; E17-K21 WeakPolarHBondContact OE1-CE 3.45Å; E17-K21 IonicContact OE1-NZ 2.64Å; E17-K21 PolarHBondContact OE1-NZ 3.5Å; H18-K21 PolarHBondContact O-N 2.91Å; K21-R24 PolarHBondContact O-N 2.93Å; K21-L25 WeakPolarHBondContact O-CG 3.09Å; K21-L25 PolarHBondContact O-N 3.28Å; K21-L25 VanDerWaalsContact O-N 3.11Å
22	M	66.7	Low	65.6	Low	37 Å²	37	56.6 Å²	56.6	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-67.5	-48.7	-179.9	-77.2	-106.7	-38.7	0	0	113.2	H18 I19 E20 R24 L25 E26 V84 I85 L88	H18-M22 WeakPolarHBondContact O-CB 3.45Å; H18-M22 WeakPolarHBondContact O-CG 3.45Å; H18-M22 PolarHBondContact O-N 3.05Å; H18-M22 VanDerWaalsContact O-N 3.13Å; I19-M22 PolarHBondContact O-N 3.32Å; E20-M22 PolarHBondContact O-N 2.95Å; M22-R24 PolarHBondContact O-N 3.47Å; M22-L25 PolarHBondContact O-N 3.48Å; M22-E26 WeakPolarHBondContact O-CB 3.45Å; M22-E26 PolarHBondContact O-N 3.39Å; M22-V84 HydrophobicContact CB-CG1 4.27Å; M22-V84 HydrophobicContact CE-CB 3.49Å; M22-V84 VanDerWaalsContact CE-CB 3.49Å; M22-V84 HydrophobicContact CE-CG1 3.65Å; M22-V84 HydrophobicContact CG-CB 4.08Å; M22-V84 HydrophobicContact CG-CG1 3.49Å; M22-V84 VanDerWaalsContact CG-CG1 3.49Å; M22-V84 HydrophobicContact SD-CB 3.52Å; M22-V84 VanDerWaalsContact SD-CB 3.52Å; M22-V84 HydrophobicContact SD-CG1 3.65Å; M22-V84 HydrophobicContact SD-CG2 4.41Å; M22-I85 HydrophobicContact CE-CB 4.05Å; M22-I85 HydrophobicContact CE-CG1 3.32Å; M22-L88 HydrophobicContact CB-CD1 3.38Å; M22-L88 HydrophobicContact CE-CD1 3.87Å; M22-L88 HydrophobicContact CG-CD1 4.29Å
23	I	67.1	Low	67.1	Low	24 Å²	24	50.1 Å²	50.1	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-56.7	-42.7	176	-65	156.8	0	0	0	110.3	I19 E20 L27 M43 L88 F92	I19-I23 HydrophobicContact CG2-CD1 3.81Å; I19-I23 VanDerWaalsContact O-CD1 3.27Å; I19-I23 WeakPolarHBondContact O-CD1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.3Å; I19-I23 PolarHBondContact O-N 3.23Å; I19-I23 VanDerWaalsContact O-N 3.09Å; E20-I23 PolarHBondContact O-N 3.12Å; I23-L27 WeakPolarHBondContact O-CB 3.3Å; I23-L27 PolarHBondContact O-N 2.81Å; I23-M43 HydrophobicContact CB-CE 3.96Å; I23-M43 HydrophobicContact CB-SD 4.49Å; I23-M43 HydrophobicContact CD1-CE 3.48Å; I23-M43 VanDerWaalsContact CD1-CE 3.48Å; I23-M43 HydrophobicContact CG1-CE 4.36Å; I23-M43 HydrophobicContact CG2-CE 3.75Å; I23-M43 HydrophobicContact CG2-SD 3.79Å; I23-L88 HydrophobicContact CD1-CD2 3.53Å; I23-L88 HydrophobicContact CG1-CD1 3.88Å; I23-L88 HydrophobicContact CG1-CD2 3.67Å; I23-L88 HydrophobicContact CG1-CG 4.41Å; I23-F92 HydrophobicContact CD1-CE2 3.38Å; I23-F92 HydrophobicContact CD1-CZ 3.43Å; I23-F92 VanDerWaalsContact CD1-CZ 3.43Å; I23-F92 HydrophobicContact CG1-CE2 3.75Å; I23-F92 HydrophobicContact CG1-CZ 4.19Å
24	R	69	Low	68.3	Low	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-43.6	179.7	-66.2	167.8	174.8	150.3	-20.2	112.4	E20 K21 M22 L28 V40 S44 V52 L69	E20-R24 VanDerWaalsContact CD-NE 3.33Å; E20-R24 VanDerWaalsContact CD-NH1 3.34Å; E20-R24 WeakPolarHBondContact O-CD 3.25Å; E20-R24 WeakPolarHBondContact O-CG 3.49Å; E20-R24 PolarHBondContact O-N 2.96Å; E20-R24 IonicContact OE1-CZ 4Å; E20-R24 IonicContact OE1-NE 3.71Å; E20-R24 PolarHBondContact OE1-NE 2.85Å; E20-R24 VanDerWaalsContact OE1-NE 3.1Å; E20-R24 IonicContact OE1-NH1 2.63Å; E20-R24 IonicContact OE1-NH2 2.92Å; E20-R24 PolarHBondContact OE1-NH2 3.32Å; E20-R24 IonicContact OE2-CZ 2.79Å; E20-R24 IonicContact OE2-NE 2.75Å; E20-R24 IonicContact OE2-NH1 2.75Å; E20-R24 PolarHBondContact OE2-NH1 2.82Å; E20-R24 IonicContact OE2-NH2 2.8Å; E20-R24 PolarHBondContact OE2-NH2 3.15Å; K21-R24 PolarHBondContact O-N 2.93Å; M22-R24 PolarHBondContact O-N 3.47Å; R24-L28 WeakPolarHBondContact O-CB 3.45Å; R24-L28 WeakPolarHBondContact O-CD1 3.36Å; R24-L28 VanDerWaalsContact O-CG 3.24Å; R24-L28 WeakPolarHBondContact O-CG 3.41Å; R24-L28 PolarHBondContact O-N 2.91Å; R24-L28 VanDerWaalsContact O-N 3.08Å; R24-V40 HydrophobicContact CB-CB 4.46Å; R24-V40 HydrophobicContact CB-CG1 4.04Å; R24-V40 HydrophobicContact CB-CG2 3.73Å; R24-V40 HydrophobicContact CG-CB 4.1Å; R24-V40 HydrophobicContact CG-CG1 3.68Å; R24-V40 HydrophobicContact CG-CG2 3.75Å; R24-S44 PolarHBondContact NE-OG 3.2Å; R24-S44 VanDerWaalsContact NE-OG 3.15Å; R24-S44 PolarHBondContact NH2-OG 3.02Å; R24-V52 VanDerWaalsContact NE-CG1 3.33Å; R24-L69 HydrophobicContact CB-CD1 4.4Å
25	L	68.2	Low	69.2	Low	25 Å²	25	54 Å²	54	13%	0.131	27%	0.271	C	S	.	.	H	α-helix	trans	-66.2	-51.1	179.1	-76.4	172.4	0	0	0	110.7	K21 M22 L27 L28 I29 A66 L69 Q70	K21-L25 WeakPolarHBondContact O-CG 3.09Å; K21-L25 PolarHBondContact O-N 3.28Å; K21-L25 VanDerWaalsContact O-N 3.11Å; M22-L25 PolarHBondContact O-N 3.48Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 3.36Å; L25-L28 PolarHBondContact O-N 3.49Å; L25-I29 HydrophobicContact CB-CD1 4.47Å; L25-I29 VanDerWaalsContact O-CB 3.32Å; L25-I29 WeakPolarHBondContact O-CB 3.36Å; L25-I29 WeakPolarHBondContact O-CD1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.87Å; L25-A66 WeakPolarHBondContact CD2-O 3.47Å; L25-L69 HydrophobicContact CD2-CB 3.5Å; L25-L69 VanDerWaalsContact CD2-CB 3.5Å; L25-L69 HydrophobicContact CG-CB 4.35Å; L25-Q70 HydrophobicContact CD2-CB 4.04Å
26	E	72.4	Confident	70.2	Confident	90 Å²	90	52.2 Å²	52.2	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-43.8	-178.5	-168.6	176.1	172.9	0	0	111.7	M22 I29 N30	M22-E26 WeakPolarHBondContact O-CB 3.45Å; M22-E26 PolarHBondContact O-N 3.39Å; E26-I29 PolarHBondContact O-N 3.49Å; E26-N30 WeakPolarHBondContact CG-ND2 3.44Å; E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 PolarHBondContact O-N 3.15Å; E26-N30 PolarHBondContact O-ND2 3.31Å
27	L	74.1	Confident	70.9	Confident	43 Å²	43	49.3 Å²	49.3	23%	0.225	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-46.9	178.3	-175	71.5	0	0	0	111.9	I23 L25 N31 A36 L39 V40	I23-L27 WeakPolarHBondContact O-CB 3.3Å; I23-L27 PolarHBondContact O-N 2.81Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 3.36Å; L27-N31 CarbonylContact O-C 3.57Å; L27-N31 VanDerWaalsContact O-C 3.31Å; L27-N31 WeakPolarHBondContact O-CA 3.39Å; L27-N31 PolarHBondContact O-N 2.95Å; L27-N31 VanDerWaalsContact O-O 3.13Å; L27-A36 HydrophobicContact CD1-CB 4.46Å; L27-A36 HydrophobicContact CD2-CB 3.91Å; L27-A36 HydrophobicContact CG-CB 3.8Å; L27-L39 HydrophobicContact CD2-CB 4.13Å; L27-L39 HydrophobicContact CD2-CD2 3.73Å; L27-L39 HydrophobicContact CD2-CG 4.14Å; L27-V40 HydrophobicContact CD2-CG2 4.25Å
28	L	73.6	Confident	71.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-72.2	-28.1	-178.9	-70	170.1	0	0	0	112.9	R24 L25 P32 A36 K37 V40 P62 A65 A66 L69	R24-L28 WeakPolarHBondContact O-CB 3.45Å; R24-L28 WeakPolarHBondContact O-CD1 3.36Å; R24-L28 VanDerWaalsContact O-CG 3.24Å; R24-L28 WeakPolarHBondContact O-CG 3.41Å; R24-L28 PolarHBondContact O-N 2.91Å; R24-L28 VanDerWaalsContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 3.49Å; L28-P32 WeakPolarHBondContact O-CB 3.29Å; L28-A36 HydrophobicContact CD2-CB 4.26Å; L28-K37 HydrophobicContact CD2-CG 3.98Å; L28-V40 HydrophobicContact CD1-CB 4.46Å; L28-V40 HydrophobicContact CD1-CG1 4.27Å; L28-V40 HydrophobicContact CD1-CG2 3.9Å; L28-V40 HydrophobicContact CD2-CG2 4.3Å; L28-V40 HydrophobicContact CG-CG2 3.84Å; L28-P62 HydrophobicContact CD2-CB 3.93Å; L28-A65 HydrophobicContact CD1-CB 4.1Å; L28-A66 HydrophobicContact CB-CB 3.76Å; L28-L69 HydrophobicContact CD1-CD1 3.77Å
29	I	74.1	Confident	72.4	Confident	85 Å²	85	50.4 Å²	50.4	44%	0.436	27%	0.265	S	S	.	.	H	α-helix	trans	-76.3	-50.2	176.6	-69	168	0	0	0	110.6	L25 E26 A66	L25-I29 HydrophobicContact CB-CD1 4.47Å; L25-I29 VanDerWaalsContact O-CB 3.32Å; L25-I29 WeakPolarHBondContact O-CB 3.36Å; L25-I29 WeakPolarHBondContact O-CD1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.87Å; E26-I29 PolarHBondContact O-N 3.49Å; I29-A66 HydrophobicContact CG1-CB 3.78Å
30	N	75.7	Confident	73.2	Confident	118 Å²	118	49.8 Å²	49.8	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-83.6	-27.1	-171.9	-67.2	-34.3	0	0	0	113.1	E26	E26-N30 WeakPolarHBondContact CG-ND2 3.44Å; E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.48Å; E26-N30 PolarHBondContact O-N 3.15Å; E26-N30 PolarHBondContact O-ND2 3.31Å
31	N	78.1	Confident	73.5	Confident	95 Å²	95	53 Å²	53	51%	0.508	28%	0.276	S	S	.	.			trans	-140.5	74.6	177.9	-171	15.5	0	0	0	111.5	L27 S33 A36	L27-N31 CarbonylContact O-C 3.57Å; L27-N31 VanDerWaalsContact O-C 3.31Å; L27-N31 WeakPolarHBondContact O-CA 3.39Å; L27-N31 PolarHBondContact O-N 2.95Å; L27-N31 VanDerWaalsContact O-O 3.13Å; N31-S33 PolarHBondContact O-N 3.07Å; N31-A36 VanDerWaalsContact O-CB 3.22Å; N31-A36 WeakPolarHBondContact O-CB 3.32Å
32	P	76.1	Confident	73.7	Confident	61 Å²	61	56.5 Å²	56.5	40%	0.396	30%	0.296	S	S	.	.			trans	-72.1	69.3	-175.7	29.2	-35.7	0	0	0	113	L28 P62 V63	L28-P32 WeakPolarHBondContact O-CB 3.29Å; P32-P62 HydrophobicContact CB-CB 3.72Å; P32-P62 HydrophobicContact CB-CG 4.44Å; P32-P62 WeakPolarHBondContact O-CG 3.28Å; P32-V63 HydrophobicContact CB-CG2 3.63Å; P32-V63 HydrophobicContact CG-CG2 3.99Å
33	S	78.7	Confident	73.8	Confident	27 Å²	27	56.2 Å²	56.2	19%	0.189	29%	0.294	C	S	.	.			trans	-105.2	165.6	176.6	92.4	0	0	0	0	113	N31 E35 A36 K37	N31-S33 PolarHBondContact O-N 3.07Å; S33-E35 VanDerWaalsContact C-N 3.28Å; S33-E35 WeakPolarHBondContact CB-OE2 3.24Å; S33-E35 WeakPolarHBondContact OG-CB 3.47Å; S33-E35 PolarHBondContact OG-N 3.34Å; S33-E35 PolarHBondContact OG-OE2 3.44Å; S33-A36 WeakPolarHBondContact O-CB 3.4Å; S33-A36 PolarHBondContact O-N 2.89Å; S33-A36 PolarHBondContact OG-N 2.86Å; S33-K37 PolarHBondContact O-N 3.15Å; S33-K37 VanDerWaalsContact O-N 3.1Å
34	E	80.2	Confident	73.8	Confident	103 Å²	103	55.1 Å²	55.1	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-70.9	-26.8	173.9	-70.8	-61.3	134.2	0	0	111.8	K37 S38	E34-K37 PolarHBondContact O-N 3.3Å; E34-K37 IonicContact OE1-NZ 3.1Å; E34-K37 PolarHBondContact OE1-NZ 2.62Å; E34-K37 WeakPolarHBondContact OE2-CD 3.12Å; E34-K37 IonicContact OE2-NZ 3.59Å; E34-S38 WeakPolarHBondContact O-CB 3.2Å; E34-S38 PolarHBondContact O-N 3.08Å; E34-S38 PolarHBondContact O-OG 3.35Å
35	E	78	Confident	73.6	Confident	140 Å²	140	61.9 Å²	61.9	65%	0.654	32%	0.318	S	S	*	.	H	α-helix	trans	-65.1	-43.5	169.1	-59.5	74.7	-163.9	0	0	110.9	S33 K37 S38 L39	S33-E35 VanDerWaalsContact C-N 3.28Å; S33-E35 WeakPolarHBondContact CB-OE2 3.24Å; S33-E35 WeakPolarHBondContact OG-CB 3.47Å; S33-E35 PolarHBondContact OG-N 3.34Å; S33-E35 PolarHBondContact OG-OE2 3.44Å; E35-K37 PolarHBondContact O-N 2.9Å; E35-S38 WeakPolarHBondContact O-CB 3.47Å; E35-S38 PolarHBondContact O-N 3.29Å; E35-S38 VanDerWaalsContact O-N 3.08Å; E35-L39 PolarHBondContact O-N 2.95Å
36	A	75.8	Confident	73.2	Confident	5 Å²	5	67.1 Å²	67.1	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-46.5	174.6	0	0	0	0	0	111.6	L27 L28 N31 S33 S38 L39 V40	L27-A36 HydrophobicContact CD1-CB 4.46Å; L27-A36 HydrophobicContact CD2-CB 3.91Å; L27-A36 HydrophobicContact CG-CB 3.8Å; L28-A36 HydrophobicContact CD2-CB 4.26Å; N31-A36 VanDerWaalsContact O-CB 3.22Å; N31-A36 WeakPolarHBondContact O-CB 3.32Å; S33-A36 WeakPolarHBondContact O-CB 3.4Å; S33-A36 PolarHBondContact O-N 2.89Å; S33-A36 PolarHBondContact OG-N 2.86Å; A36-S38 VanDerWaalsContact C-N 3.28Å; A36-S38 PolarHBondContact O-N 3.37Å; A36-L39 PolarHBondContact O-N 3.49Å; A36-V40 WeakPolarHBondContact O-CG2 3.27Å; A36-V40 PolarHBondContact O-N 3.3Å
37	K	71.5	Confident	72.8	Confident	11 Å²	11	64.8 Å²	64.8	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-55.8	-42.8	171	-89.2	-179.9	175.6	167.5	0	112.4	L28 S33 E34 E35 V40 K41 V56 P62	L28-K37 HydrophobicContact CD2-CG 3.98Å; S33-K37 PolarHBondContact O-N 3.15Å; S33-K37 VanDerWaalsContact O-N 3.1Å; E34-K37 PolarHBondContact O-N 3.3Å; E34-K37 IonicContact OE1-NZ 3.1Å; E34-K37 PolarHBondContact OE1-NZ 2.62Å; E34-K37 WeakPolarHBondContact OE2-CD 3.12Å; E34-K37 IonicContact OE2-NZ 3.59Å; E35-K37 PolarHBondContact O-N 2.9Å; K37-V40 PolarHBondContact O-N 3.48Å; K37-K41 VanDerWaalsContact O-CG 3.3Å; K37-K41 WeakPolarHBondContact O-CG 3.32Å; K37-K41 PolarHBondContact O-N 2.92Å; K37-V56 HydrophobicContact CB-CG1 4.42Å; K37-V56 HydrophobicContact CG-CG1 4.31Å; K37-P62 HydrophobicContact CD-CB 4.43Å; K37-P62 HydrophobicContact CD-CG 3.88Å; K37-P62 VanDerWaalsContact CE-N 3.26Å; K37-P62 HydrophobicContact CG-CB 4.11Å; K37-P62 HydrophobicContact CG-CG 4.01Å
38	S	77.7	Confident	72.5	Confident	67 Å²	67	73 Å²	73	47%	0.469	37%	0.365	S	S	.	.	H	α-helix	trans	-67	-39.3	-179.2	-62.4	0	0	0	0	111.8	E34 E35 A36 K41 L42	E34-S38 WeakPolarHBondContact O-CB 3.2Å; E34-S38 PolarHBondContact O-N 3.08Å; E34-S38 PolarHBondContact O-OG 3.35Å; E35-S38 WeakPolarHBondContact O-CB 3.47Å; E35-S38 PolarHBondContact O-N 3.29Å; E35-S38 VanDerWaalsContact O-N 3.08Å; A36-S38 VanDerWaalsContact C-N 3.28Å; A36-S38 PolarHBondContact O-N 3.37Å; S38-K41 WeakPolarHBondContact O-CB 3.48Å; S38-K41 PolarHBondContact O-N 3.15Å; S38-L42 PolarHBondContact O-N 3.08Å
39	L	75.4	Confident	72.3	Confident	81 Å²	81	73.8 Å²	73.8	42%	0.424	37%	0.371	S	S	.	.	H	α-helix	trans	-64.8	-46.6	173.3	-178.1	56.2	0	0	0	111.1	L27 E35 A36 K41 L42 M43	L27-L39 HydrophobicContact CD2-CB 4.13Å; L27-L39 HydrophobicContact CD2-CD2 3.73Å; L27-L39 HydrophobicContact CD2-CG 4.14Å; E35-L39 PolarHBondContact O-N 2.95Å; A36-L39 PolarHBondContact O-N 3.49Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.09Å; L39-L42 WeakPolarHBondContact O-CB 3.48Å; L39-L42 PolarHBondContact O-N 3.34Å; L39-L42 VanDerWaalsContact O-N 3.07Å; L39-M43 HydrophobicContact CD1-CG 4.26Å; L39-M43 HydrophobicContact CG-SD 4.28Å; L39-M43 WeakPolarHBondContact O-CG 3.43Å; L39-M43 PolarHBondContact O-N 2.92Å
40	V	74.7	Confident	72	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-56.5	-43.4	173.6	164.5	0	0	0	0	111.6	R24 L27 L28 A36 K37 L42 M43 S44 V56	R24-V40 HydrophobicContact CB-CB 4.46Å; R24-V40 HydrophobicContact CB-CG1 4.04Å; R24-V40 HydrophobicContact CB-CG2 3.73Å; R24-V40 HydrophobicContact CG-CB 4.1Å; R24-V40 HydrophobicContact CG-CG1 3.68Å; R24-V40 HydrophobicContact CG-CG2 3.75Å; L27-V40 HydrophobicContact CD2-CG2 4.25Å; L28-V40 HydrophobicContact CD1-CB 4.46Å; L28-V40 HydrophobicContact CD1-CG1 4.27Å; L28-V40 HydrophobicContact CD1-CG2 3.9Å; L28-V40 HydrophobicContact CD2-CG2 4.3Å; L28-V40 HydrophobicContact CG-CG2 3.84Å; A36-V40 WeakPolarHBondContact O-CG2 3.27Å; A36-V40 PolarHBondContact O-N 3.3Å; K37-V40 PolarHBondContact O-N 3.48Å; V40-L42 PolarHBondContact O-N 3.18Å; V40-M43 PolarHBondContact O-N 3.45Å; V40-S44 WeakPolarHBondContact O-CB 3.14Å; V40-S44 PolarHBondContact O-N 3.37Å; V40-S44 PolarHBondContact O-OG 3Å; V40-V56 HydrophobicContact CG1-CB 4.4Å; V40-V56 HydrophobicContact CG1-CG1 4.17Å; V40-V56 HydrophobicContact CG1-CG2 3.46Å; V40-V56 VanDerWaalsContact CG1-CG2 3.46Å
41	K	70.9	Confident	71.7	Confident	74 Å²	74	76.3 Å²	76.3	32%	0.322	38%	0.38	S	S	.	.	H	α-helix	trans	-61.5	-42.5	174.7	-74.5	172.4	-173.3	174.6	0	112	K37 S38 L39 S44 K45 V56	K37-K41 VanDerWaalsContact O-CG 3.3Å; K37-K41 WeakPolarHBondContact O-CG 3.32Å; K37-K41 PolarHBondContact O-N 2.92Å; S38-K41 WeakPolarHBondContact O-CB 3.48Å; S38-K41 PolarHBondContact O-N 3.15Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.09Å; K41-S44 PolarHBondContact O-N 2.92Å; K41-K45 PolarHBondContact O-N 3.45Å; K41-V56 HydrophobicContact CD-CG1 4.3Å; K41-V56 HydrophobicContact CG-CB 4.35Å; K41-V56 HydrophobicContact CG-CG1 3.62Å
42	L	69.1	Low	71.2	Confident	100 Å²	100	71.9 Å²	71.9	52%	0.524	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-49.9	179.1	179	64	0	0	0	110.8	S38 L39 V40 S44 K45 L46	S38-L42 PolarHBondContact O-N 3.08Å; L39-L42 WeakPolarHBondContact O-CB 3.48Å; L39-L42 PolarHBondContact O-N 3.34Å; L39-L42 VanDerWaalsContact O-N 3.07Å; V40-L42 PolarHBondContact O-N 3.18Å; L42-S44 PolarHBondContact O-N 3.41Å; L42-K45 WeakPolarHBondContact O-CB 3.34Å; L42-K45 PolarHBondContact O-N 3.49Å; L42-K45 VanDerWaalsContact O-N 3.15Å; L42-L46 PolarHBondContact O-N 3.14Å
43	M	68.8	Low	70.8	Confident	31 Å²	31	70.8 Å²	70.8	15%	0.153	35%	0.346	C	S	.	.	H	α-helix	trans	-55.8	-43.3	175.8	-67.9	-178.2	79.5	0	0	110.5	E20 I23 L39 V40 K45 L46 V47	E20-M43 HydrophobicContact CB-CE 4.49Å; E20-M43 HydrophobicContact CG-CB 3.88Å; E20-M43 HydrophobicContact CG-CE 3.83Å; E20-M43 WeakPolarHBondContact OE1-CB 3.35Å; I23-M43 HydrophobicContact CB-CE 3.96Å; I23-M43 HydrophobicContact CB-SD 4.49Å; I23-M43 HydrophobicContact CD1-CE 3.48Å; I23-M43 VanDerWaalsContact CD1-CE 3.48Å; I23-M43 HydrophobicContact CG1-CE 4.36Å; I23-M43 HydrophobicContact CG2-CE 3.75Å; I23-M43 HydrophobicContact CG2-SD 3.79Å; L39-M43 HydrophobicContact CD1-CG 4.26Å; L39-M43 HydrophobicContact CG-SD 4.28Å; L39-M43 WeakPolarHBondContact O-CG 3.43Å; L39-M43 PolarHBondContact O-N 2.92Å; V40-M43 PolarHBondContact O-N 3.45Å; M43-K45 PolarHBondContact O-N 3.23Å; M43-K45 VanDerWaalsContact O-N 3.15Å; M43-L46 WeakPolarHBondContact O-CA 3.24Å; M43-L46 VanDerWaalsContact O-CB 3.29Å; M43-L46 WeakPolarHBondContact O-CB 3.26Å; M43-L46 PolarHBondContact O-N 2.92Å; M43-V47 PolarHBondContact O-N 2.91Å; M43-V47 VanDerWaalsContact O-N 3.15Å
44	S	67.2	Low	70.5	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-30.7	-178.1	-53.1	0	0	0	0	114.2	E20 R24 V40 K41 L42 R48 S49 M53	E20-S44 WeakPolarHBondContact OE1-CA 3.42Å; E20-S44 PolarHBondContact OE1-N 3.42Å; R24-S44 PolarHBondContact NE-OG 3.2Å; R24-S44 VanDerWaalsContact NE-OG 3.15Å; R24-S44 PolarHBondContact NH2-OG 3.02Å; V40-S44 WeakPolarHBondContact O-CB 3.14Å; V40-S44 PolarHBondContact O-N 3.37Å; V40-S44 PolarHBondContact O-OG 3Å; K41-S44 PolarHBondContact O-N 2.92Å; L42-S44 PolarHBondContact O-N 3.41Å; S44-R48 WeakPolarHBondContact O-CA 3.41Å; S44-R48 PolarHBondContact O-N 2.76Å; S44-R48 VanDerWaalsContact O-N 3.07Å; S44-S49 PolarHBondContact O-N 2.99Å; S44-M53 VanDerWaalsContact CB-CG 3.45Å
45	K	64.8	Low	70.1	Confident	143 Å²	143	69.8 Å²	69.8	62%	0.622	34%	0.342	S	S	*	.	H	α-helix	trans	-71.5	-34.9	172.3	-68.1	176.4	178	-178.2	0	112.1	K41 L42 M43 R48 M53	K41-K45 PolarHBondContact O-N 3.45Å; L42-K45 WeakPolarHBondContact O-CB 3.34Å; L42-K45 PolarHBondContact O-N 3.49Å; L42-K45 VanDerWaalsContact O-N 3.15Å; M43-K45 PolarHBondContact O-N 3.23Å; M43-K45 VanDerWaalsContact O-N 3.15Å; K45-R48 PolarHBondContact O-N 2.98Å; K45-M53 HydrophobicContact CG-SD 3.85Å
46	L	60.7	Low	69.8	Low	135 Å²	135	63.2 Å²	63.2	71%	0.707	31%	0.311	S	S	*	.	H	α-helix	trans	-66.6	-42.2	179.8	-64.9	174.5	0	0	0	111.5	L42 M43	L42-L46 PolarHBondContact O-N 3.14Å; M43-L46 WeakPolarHBondContact O-CA 3.24Å; M43-L46 VanDerWaalsContact O-CB 3.29Å; M43-L46 WeakPolarHBondContact O-CB 3.26Å; M43-L46 PolarHBondContact O-N 2.92Å
47	V	64.5	Low	69.8	Low	42 Å²	42	69.3 Å²	69.3	26%	0.255	34%	0.337	S	S	.	.	H	α-helix	trans	-86.9	-8.1	176.2	-50.6	0	0	0	0	114.1	F16 E20 M43	F16-V47 HydrophobicContact CB-CG1 4.29Å; E20-V47 HydrophobicContact CB-CG1 3.91Å; E20-V47 HydrophobicContact CG-CG1 3.85Å; E20-V47 WeakPolarHBondContact OE1-CG2 3.44Å; E20-V47 WeakPolarHBondContact OE2-CB 3.47Å; E20-V47 VanDerWaalsContact OE2-CG1 3.25Å; E20-V47 WeakPolarHBondContact OE2-CG1 3.27Å; E20-V47 WeakPolarHBondContact OE2-CG2 3.45Å; M43-V47 PolarHBondContact O-N 2.91Å; M43-V47 VanDerWaalsContact O-N 3.15Å
48	R	67.5	Low	70.1	Confident	216 Å²	216	74 Å²	74	82%	0.815	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	40.8	-175.4	-49.6	177	177.1	177.1	-0.9	114.9	S44 K45 E50	S44-R48 WeakPolarHBondContact O-CA 3.41Å; S44-R48 PolarHBondContact O-N 2.76Å; S44-R48 VanDerWaalsContact O-N 3.07Å; K45-R48 PolarHBondContact O-N 2.98Å; R48-E50 PolarHBondContact O-N 3.44Å
49	S	68.3	Low	69.9	Low	16 Å²	16	71.4 Å²	71.4	11%	0.112	35%	0.349	C	S	.	.			trans	-90.7	99	176.5	-173.7	0	0	0	0	111.1	S44 V52 M53	S44-S49 PolarHBondContact O-N 2.99Å; S49-V52 WeakPolarHBondContact OG-CG2 3.08Å; S49-M53 WeakPolarHBondContact O-CG 3.39Å; S49-M53 PolarHBondContact O-N 2.99Å
50	E	69.2	Low	70.2	Confident	145 Å²	145	72.4 Å²	72.4	68%	0.678	36%	0.363	S	S	*	.	H	α-helix	trans	-64.1	-42.9	178.4	-66.2	-174.2	168.7	0	0	112.3	R48 V52 M53 D54	R48-E50 PolarHBondContact O-N 3.44Å; E50-V52 VanDerWaalsContact C-N 3.3Å; E50-V52 PolarHBondContact O-N 3.36Å; E50-M53 HydrophobicContact CB-CE 4.36Å; E50-M53 HydrophobicContact CG-CE 4Å; E50-M53 WeakPolarHBondContact O-CB 3.47Å; E50-M53 PolarHBondContact O-N 3.32Å; E50-D54 PolarHBondContact O-N 3.03Å
51	L	67.7	Low	70.3	Confident	110 Å²	110	75.1 Å²	75.1	58%	0.576	38%	0.377	S	S	*	.	H	α-helix	trans	-54.5	-46.7	178.2	178.8	64.4	0	0	0	111.8	D54 I55	L51-D54 PolarHBondContact O-N 3.4Å; L51-I55 HydrophobicContact CD1-CD1 4.3Å; L51-I55 HydrophobicContact CG-CD1 4.17Å; L51-I55 WeakPolarHBondContact O-CG1 3.12Å; L51-I55 PolarHBondContact O-N 3.15Å
52	V	68.7	Low	70.3	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.018	37%	0.366	C	S	.	.	H	α-helix	trans	-73	-37.1	-177.5	178.1	0	0	0	0	111.4	R24 S49 E50 D54 I55 V56 L69	R24-V52 VanDerWaalsContact NE-CG1 3.33Å; S49-V52 WeakPolarHBondContact OG-CG2 3.08Å; E50-V52 VanDerWaalsContact C-N 3.3Å; E50-V52 PolarHBondContact O-N 3.36Å; V52-D54 VanDerWaalsContact C-N 3.28Å; V52-D54 PolarHBondContact O-N 3.07Å; V52-I55 PolarHBondContact O-N 2.97Å; V52-V56 HydrophobicContact CG1-CG2 4.19Å; V52-V56 WeakPolarHBondContact O-CB 3.43Å; V52-V56 WeakPolarHBondContact O-CG2 2.75Å; V52-V56 PolarHBondContact O-N 3.42Å; V52-L69 HydrophobicContact CB-CD2 4.04Å; V52-L69 HydrophobicContact CG1-CD1 4.35Å; V52-L69 HydrophobicContact CG1-CD2 3.51Å; V52-L69 HydrophobicContact CG2-CD2 3.8Å
53	M	67.3	Low	70.5	Confident	38 Å²	38	70.7 Å²	70.7	19%	0.187	36%	0.361	C	S	.	.	H	α-helix	trans	-57.7	-42.6	172	-74.4	-168.5	-66.6	0	0	112	S44 K45 S49 E50 V56 K57	S44-M53 VanDerWaalsContact CB-CG 3.45Å; K45-M53 HydrophobicContact CG-SD 3.85Å; S49-M53 WeakPolarHBondContact O-CG 3.39Å; S49-M53 PolarHBondContact O-N 2.99Å; E50-M53 HydrophobicContact CB-CE 4.36Å; E50-M53 HydrophobicContact CG-CE 4Å; E50-M53 WeakPolarHBondContact O-CB 3.47Å; E50-M53 PolarHBondContact O-N 3.32Å; M53-V56 PolarHBondContact O-N 3.46Å; M53-K57 WeakPolarHBondContact O-CB 3.39Å; M53-K57 VanDerWaalsContact O-CG 3.27Å; M53-K57 WeakPolarHBondContact O-CG 3.25Å; M53-K57 PolarHBondContact O-N 3.35Å
54	D	72.8	Confident	70.7	Confident	84 Å²	84	71.1 Å²	71.1	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-71.4	-40.3	-177.6	-73.9	-14.4	0	0	0	112.3	E50 L51 V52 V56 K57 T58	E50-D54 PolarHBondContact O-N 3.03Å; L51-D54 PolarHBondContact O-N 3.4Å; V52-D54 VanDerWaalsContact C-N 3.28Å; V52-D54 PolarHBondContact O-N 3.07Å; D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 3.18Å; D54-K57 PolarHBondContact O-N 3.19Å; D54-K57 IonicContact OD1-NZ 3.6Å; D54-T58 WeakPolarHBondContact O-CB 3.29Å; D54-T58 VanDerWaalsContact O-CG2 3.32Å; D54-T58 WeakPolarHBondContact O-CG2 3.27Å; D54-T58 PolarHBondContact O-N 3.05Å; D54-T58 PolarHBondContact O-OG1 2.87Å
55	I	71.7	Confident	70.7	Confident	24 Å²	24	71.1 Å²	71.1	12%	0.123	37%	0.366	C	S	.	.	H	α-helix	trans	-57.5	-46.9	172.3	-70.1	167.4	0	0	0	110.5	L51 V52 K57 T58 A59 L68 L69	L51-I55 HydrophobicContact CD1-CD1 4.3Å; L51-I55 HydrophobicContact CG-CD1 4.17Å; L51-I55 WeakPolarHBondContact O-CG1 3.12Å; L51-I55 PolarHBondContact O-N 3.15Å; V52-I55 PolarHBondContact O-N 2.97Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 3.45Å; I55-T58 PolarHBondContact O-N 3.42Å; I55-T58 PolarHBondContact O-OG1 3.24Å; I55-A59 VanDerWaalsContact O-CB 3.29Å; I55-A59 WeakPolarHBondContact O-CB 3.5Å; I55-A59 PolarHBondContact O-N 2.99Å; I55-L68 HydrophobicContact CG2-CB 3.51Å; I55-L68 HydrophobicContact CG2-CD1 4.24Å; I55-L69 HydrophobicContact CB-CD2 4.16Å; I55-L69 HydrophobicContact CD1-CD2 3.83Å; I55-L69 HydrophobicContact CG2-CD2 3.96Å; I55-L69 HydrophobicContact CG2-CG 3.84Å
56	V	71.6	Confident	70.9	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-73.8	-25.7	-175.2	-179	0	0	0	0	112	K37 V40 K41 V52 M53 D54 L69	K37-V56 HydrophobicContact CB-CG1 4.42Å; K37-V56 HydrophobicContact CG-CG1 4.31Å; V40-V56 HydrophobicContact CG1-CB 4.4Å; V40-V56 HydrophobicContact CG1-CG1 4.17Å; V40-V56 HydrophobicContact CG1-CG2 3.46Å; V40-V56 VanDerWaalsContact CG1-CG2 3.46Å; K41-V56 HydrophobicContact CD-CG1 4.3Å; K41-V56 HydrophobicContact CG-CB 4.35Å; K41-V56 HydrophobicContact CG-CG1 3.62Å; V52-V56 HydrophobicContact CG1-CG2 4.19Å; V52-V56 WeakPolarHBondContact O-CB 3.43Å; V52-V56 WeakPolarHBondContact O-CG2 2.75Å; V52-V56 PolarHBondContact O-N 3.42Å; M53-V56 PolarHBondContact O-N 3.46Å; D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 3.18Å; V56-L69 HydrophobicContact CG2-CD1 4.17Å
57	K	75.4	Confident	71.2	Confident	134 Å²	134	61.7 Å²	61.7	58%	0.583	32%	0.324	S	S	*	.	H	α-helix	trans	-75.5	-38.8	172.3	-78.3	173.1	-175.4	168.5	0	113	M53 D54 I55	M53-K57 WeakPolarHBondContact O-CB 3.39Å; M53-K57 VanDerWaalsContact O-CG 3.27Å; M53-K57 WeakPolarHBondContact O-CG 3.25Å; M53-K57 PolarHBondContact O-N 3.35Å; D54-K57 PolarHBondContact O-N 3.19Å; D54-K57 IonicContact OD1-NZ 3.6Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 3.45Å
58	T	77.5	Confident	71.5	Confident	110 Å²	110	63.4 Å²	63.4	68%	0.675	33%	0.331	S	S	*	.	H	α-helix	trans	-88.4	-22	-172.5	54.6	0	0	0	0	113.2	D54 I55 S60	D54-T58 WeakPolarHBondContact O-CB 3.29Å; D54-T58 VanDerWaalsContact O-CG2 3.32Å; D54-T58 WeakPolarHBondContact O-CG2 3.27Å; D54-T58 PolarHBondContact O-N 3.05Å; D54-T58 PolarHBondContact O-OG1 2.87Å; I55-T58 PolarHBondContact O-N 3.42Å; I55-T58 PolarHBondContact O-OG1 3.24Å; T58-S60 PolarHBondContact O-N 2.96Å
59	A	74.4	Confident	71.7	Confident	12 Å²	12	53.4 Å²	53.4	10%	0.099	29%	0.294	C	S	.	.			trans	-63.9	131.6	176.7	0	0	0	0	0	112.4	I55 N61 A65 L68	I55-A59 VanDerWaalsContact O-CB 3.29Å; I55-A59 WeakPolarHBondContact O-CB 3.5Å; I55-A59 PolarHBondContact O-N 2.99Å; A59-N61 VanDerWaalsContact C-N 3.29Å; A59-N61 PolarHBondContact O-N 3.49Å; A59-A65 HydrophobicContact CB-CB 3.53Å; A59-L68 HydrophobicContact CB-CD1 4.37Å
60	S	82.3	Confident	71.5	Confident	101 Å²	101	57.7 Å²	57.7	71%	0.706	31%	0.312	S	S	*	.	S	Bend	trans	-67.2	-27.5	-179.5	58.2	0	0	0	0	113.6	T58	T58-S60 PolarHBondContact O-N 2.96Å
61	N	75.1	Confident	71.2	Confident	58 Å²	58	56 Å²	56	31%	0.31	31%	0.307	S	S	.	.	S	Bend	trans	-153.2	164.7	-178.8	65	73.9	0	0	0	110.6	A59 V63 S64 A65	A59-N61 VanDerWaalsContact C-N 3.29Å; A59-N61 PolarHBondContact O-N 3.49Å; N61-V63 VanDerWaalsContact C-N 3.32Å; N61-V63 PolarHBondContact O-N 2.75Å; N61-V63 WeakPolarHBondContact OD1-CB 3.5Å; N61-V63 PolarHBondContact OD1-N 3.1Å; N61-V63 VanDerWaalsContact OD1-N 3.15Å; N61-S64 PolarHBondContact ND2-OG 3.37Å; N61-S64 PolarHBondContact O-N 2.63Å; N61-S64 PolarHBondContact OD1-N 2.8Å; N61-S64 PolarHBondContact OD1-OG 3.26Å; N61-A65 PolarHBondContact O-N 2.75Å; N61-A65 VanDerWaalsContact O-N 3.08Å
62	P	71.2	Confident	70.9	Confident	12 Å²	12	52.4 Å²	52.4	8%	0.078	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-34.3	-174.6	-24.4	34.8	0	0	0	113.9	L28 P32 K37 A65 A66	L28-P62 HydrophobicContact CD2-CB 3.93Å; P32-P62 HydrophobicContact CB-CB 3.72Å; P32-P62 HydrophobicContact CB-CG 4.44Å; P32-P62 WeakPolarHBondContact O-CG 3.28Å; K37-P62 HydrophobicContact CD-CB 4.43Å; K37-P62 HydrophobicContact CD-CG 3.88Å; K37-P62 VanDerWaalsContact CE-N 3.26Å; K37-P62 HydrophobicContact CG-CB 4.11Å; K37-P62 HydrophobicContact CG-CG 4.01Å; P62-A65 WeakPolarHBondContact O-CB 3.38Å; P62-A65 PolarHBondContact O-N 2.96Å; P62-A66 PolarHBondContact O-N 3.44Å
63	V	73.1	Confident	70.3	Confident	69 Å²	69	53.2 Å²	53.2	42%	0.418	30%	0.302	S	S	.	.	H	α-helix	trans	-67.2	-42.9	177.3	-179.6	0	0	0	0	111.1	P32 N61 A65 A66 N67	P32-V63 HydrophobicContact CB-CG2 3.63Å; P32-V63 HydrophobicContact CG-CG2 3.99Å; N61-V63 VanDerWaalsContact C-N 3.32Å; N61-V63 PolarHBondContact O-N 2.75Å; N61-V63 WeakPolarHBondContact OD1-CB 3.5Å; N61-V63 PolarHBondContact OD1-N 3.1Å; N61-V63 VanDerWaalsContact OD1-N 3.15Å; V63-A65 VanDerWaalsContact C-N 3.28Å; V63-A65 PolarHBondContact O-N 3.13Å; V63-A66 WeakPolarHBondContact O-CB 3.44Å; V63-A66 PolarHBondContact O-N 3.35Å; V63-N67 PolarHBondContact O-N 3.31Å
64	S	73.2	Confident	69.4	Low	39 Å²	39	52.8 Å²	52.8	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-35.6	173.4	-63.3	0	0	0	0	112	N61 N67 L68	N61-S64 PolarHBondContact ND2-OG 3.37Å; N61-S64 PolarHBondContact O-N 2.63Å; N61-S64 PolarHBondContact OD1-N 2.8Å; N61-S64 PolarHBondContact OD1-OG 3.26Å; S64-N67 PolarHBondContact O-N 3.26Å; S64-L68 WeakPolarHBondContact O-CB 3.42Å; S64-L68 VanDerWaalsContact O-CG 3.27Å; S64-L68 WeakPolarHBondContact O-CG 3.4Å; S64-L68 PolarHBondContact O-N 2.91Å
65	A	68.8	Low	68.2	Low	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-45.5	173.9	0	0	0	0	0	111.3	L28 A59 N61 P62 V63 L68 L69	L28-A65 HydrophobicContact CD1-CB 4.1Å; A59-A65 HydrophobicContact CB-CB 3.53Å; N61-A65 PolarHBondContact O-N 2.75Å; N61-A65 VanDerWaalsContact O-N 3.08Å; P62-A65 WeakPolarHBondContact O-CB 3.38Å; P62-A65 PolarHBondContact O-N 2.96Å; V63-A65 VanDerWaalsContact C-N 3.28Å; V63-A65 PolarHBondContact O-N 3.13Å; A65-L68 PolarHBondContact O-N 2.94Å; A65-L69 WeakPolarHBondContact O-CB 3.46Å; A65-L69 VanDerWaalsContact O-CG 3.28Å; A65-L69 WeakPolarHBondContact O-CG 3.14Å; A65-L69 PolarHBondContact O-N 3.4Å
66	A	68.3	Low	67	Low	1 Å²	1	60.2 Å²	60.2	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-57	-49.7	174.7	0	0	0	0	0	111.9	L25 L28 I29 P62 V63 L68 L69 Q70	L25-A66 WeakPolarHBondContact CD2-O 3.47Å; L28-A66 HydrophobicContact CB-CB 3.76Å; I29-A66 HydrophobicContact CG1-CB 3.78Å; P62-A66 PolarHBondContact O-N 3.44Å; V63-A66 WeakPolarHBondContact O-CB 3.44Å; V63-A66 PolarHBondContact O-N 3.35Å; A66-L68 PolarHBondContact O-N 3.38Å; A66-L69 PolarHBondContact O-N 2.92Å; A66-Q70 WeakPolarHBondContact O-CB 2.97Å; A66-Q70 PolarHBondContact O-N 3.28Å
67	N	67.7	Low	65.6	Low	79 Å²	79	63.5 Å²	63.5	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-62	-42.3	179.9	-71.9	-15.1	0	0	0	112.1	V63 S64 Q70 I71	V63-N67 PolarHBondContact O-N 3.31Å; S64-N67 PolarHBondContact O-N 3.26Å; N67-Q70 PolarHBondContact O-N 3.11Å; N67-I71 VanDerWaalsContact O-CG1 3.28Å; N67-I71 WeakPolarHBondContact O-CG1 3.33Å; N67-I71 PolarHBondContact O-N 3.13Å
68	L	70.4	Confident	64	Low	79 Å²	79	65.9 Å²	65.9	41%	0.414	38%	0.38	S	S	.	.	H	α-helix	trans	-66.6	-39.3	177.2	-73.6	171.6	0	0	0	112.1	I55 A59 S64 A65 A66 Q70 I71 G72	I55-L68 HydrophobicContact CG2-CB 3.51Å; I55-L68 HydrophobicContact CG2-CD1 4.24Å; A59-L68 HydrophobicContact CB-CD1 4.37Å; S64-L68 WeakPolarHBondContact O-CB 3.42Å; S64-L68 VanDerWaalsContact O-CG 3.27Å; S64-L68 WeakPolarHBondContact O-CG 3.4Å; S64-L68 PolarHBondContact O-N 2.91Å; A65-L68 PolarHBondContact O-N 2.94Å; A66-L68 PolarHBondContact O-N 3.38Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-I71 PolarHBondContact O-N 2.86Å; L68-G72 PolarHBondContact O-N 3.27Å
69	L	70.2	Confident	62.4	Low	5 Å²	5	64.5 Å²	64.5	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-64.1	-40.7	172.6	-72	171.1	0	0	0	110.6	R24 L25 L28 V52 I55 V56 A65 A66 G72 C73	R24-L69 HydrophobicContact CB-CD1 4.4Å; L25-L69 HydrophobicContact CD2-CB 3.5Å; L25-L69 VanDerWaalsContact CD2-CB 3.5Å; L25-L69 HydrophobicContact CG-CB 4.35Å; L28-L69 HydrophobicContact CD1-CD1 3.77Å; V52-L69 HydrophobicContact CB-CD2 4.04Å; V52-L69 HydrophobicContact CG1-CD1 4.35Å; V52-L69 HydrophobicContact CG1-CD2 3.51Å; V52-L69 HydrophobicContact CG2-CD2 3.8Å; I55-L69 HydrophobicContact CB-CD2 4.16Å; I55-L69 HydrophobicContact CD1-CD2 3.83Å; I55-L69 HydrophobicContact CG2-CD2 3.96Å; I55-L69 HydrophobicContact CG2-CG 3.84Å; V56-L69 HydrophobicContact CG2-CD1 4.17Å; A65-L69 WeakPolarHBondContact O-CB 3.46Å; A65-L69 VanDerWaalsContact O-CG 3.28Å; A65-L69 WeakPolarHBondContact O-CG 3.14Å; A65-L69 PolarHBondContact O-N 3.4Å; A66-L69 PolarHBondContact O-N 2.92Å; L69-G72 PolarHBondContact O-N 3.11Å; L69-C73 WeakPolarHBondContact O-CB 3.48Å; L69-C73 PolarHBondContact O-N 2.85Å; L69-C73 PolarHBondContact O-SG 2.88Å
70	Q	65.9	Low	61	Low	107 Å²	107	71.2 Å²	71.2	50%	0.5	40%	0.398	S	S	.	.	H	α-helix	trans	-67.4	-38.5	178.6	-172	179.3	5.5	0	0	111.6	L25 A66 N67 L68 C73 G74	L25-Q70 HydrophobicContact CD2-CB 4.04Å; A66-Q70 WeakPolarHBondContact O-CB 2.97Å; A66-Q70 PolarHBondContact O-N 3.28Å; N67-Q70 PolarHBondContact O-N 3.11Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; Q70-C73 CarbonylContact O-C 3.31Å; Q70-C73 PolarHBondContact O-N 3.41Å; Q70-G74 VanDerWaalsContact O-CA 3.24Å; Q70-G74 WeakPolarHBondContact O-CA 3.27Å; Q70-G74 PolarHBondContact O-N 3.48Å
71	I	63.1	Low	59.4	Low	110 Å²	110	74 Å²	74	56%	0.564	41%	0.405	S	S	*	.	H	α-helix	trans	-67.8	-49.2	174.6	-68.2	164.3	0	0	0	109.9	N67 L68 C73 G74 D75	N67-I71 VanDerWaalsContact O-CG1 3.28Å; N67-I71 WeakPolarHBondContact O-CG1 3.33Å; N67-I71 PolarHBondContact O-N 3.13Å; L68-I71 PolarHBondContact O-N 2.86Å; I71-C73 PolarHBondContact O-N 2.74Å; I71-G74 PolarHBondContact O-N 3.35Å; I71-G74 VanDerWaalsContact O-N 3.15Å; I71-D75 PolarHBondContact O-N 3.39Å
72	G	60	Low	58	Low	34 Å²	34	78.6 Å²	78.6	35%	0.351	43%	0.425	S	S	.	.	H	α-helix	trans	-61.5	-24.3	176.5	0	0	0	0	0	114	L68 L69	L68-G72 PolarHBondContact O-N 3.27Å; L69-G72 PolarHBondContact O-N 3.11Å
73	C	56.7	Low	56.9	Low	20 Å²	20	81.7 Å²	81.7	14%	0.135	44%	0.441	C	S	.	.	H	α-helix	trans	-96.4	-24	174.9	-63.5	0	0	0	0	113.3	L69 Q70 I71 D75 M76	L69-C73 WeakPolarHBondContact O-CB 3.48Å; L69-C73 PolarHBondContact O-N 2.85Å; L69-C73 PolarHBondContact O-SG 2.88Å; Q70-C73 CarbonylContact O-C 3.31Å; Q70-C73 PolarHBondContact O-N 3.41Å; I71-C73 PolarHBondContact O-N 2.74Å; C73-D75 VanDerWaalsContact C-N 3.32Å; C73-M76 WeakPolarHBondContact O-CB 3.42Å; C73-M76 PolarHBondContact O-N 2.96Å
74	G	48.3	Very low	55.6	Low	28 Å²	28	79.9 Å²	79.9	29%	0.289	43%	0.43	S	S	.	.	H	α-helix	trans	-70.6	-29	-179	0	0	0	0	0	111.9	Q70 I71 M76 S77	Q70-G74 VanDerWaalsContact O-CA 3.24Å; Q70-G74 WeakPolarHBondContact O-CA 3.27Å; Q70-G74 PolarHBondContact O-N 3.48Å; I71-G74 PolarHBondContact O-N 3.35Å; I71-G74 VanDerWaalsContact O-N 3.15Å; G74-M76 PolarHBondContact O-N 3.34Å; G74-S77 WeakPolarHBondContact O-CB 3.27Å; G74-S77 PolarHBondContact O-N 3.41Å; G74-S77 VanDerWaalsContact O-N 3.1Å; G74-S77 PolarHBondContact O-OG 3.3Å; G74-S77 VanDerWaalsContact O-OG 3.07Å
75	D	48.2	Very low	54.5	Low	149 Å²	149	81.7 Å²	81.7	80%	0.797	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.4	168.9	-71.1	-21.2	0	0	0	113.2	I71 C73	I71-D75 PolarHBondContact O-N 3.39Å; C73-D75 VanDerWaalsContact C-N 3.32Å
76	M	46.2	Very low	53.6	Low	115 Å²	115	85.8 Å²	85.8	57%	0.567	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	18.1	169.6	-58.5	-166.2	-167.5	0	0	113	C73 G74 E78	C73-M76 WeakPolarHBondContact O-CB 3.42Å; C73-M76 PolarHBondContact O-N 2.96Å; G74-M76 PolarHBondContact O-N 3.34Å; M76-E78 VanDerWaalsContact C-N 3.27Å; M76-E78 PolarHBondContact O-N 3.06Å
77	S	40.8	Very low	52.7	Low	71 Å²	71	90 Å²	90	50%	0.497	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-73.8	16.2	-166.9	70.8	0	0	0	0	118	G74 C79	G74-S77 WeakPolarHBondContact O-CB 3.27Å; G74-S77 PolarHBondContact O-N 3.41Å; G74-S77 VanDerWaalsContact O-N 3.1Å; G74-S77 PolarHBondContact O-OG 3.3Å; G74-S77 VanDerWaalsContact O-OG 3.07Å; S77-C79 VanDerWaalsContact C-N 3.29Å
78	E	43.1	Very low	51.6	Low	184 Å²	184	86.5 Å²	86.5	86%	0.86	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-83.4	-3.3	173.5	-68.1	-169.3	178.4	0	0	113.5	M76	M76-E78 VanDerWaalsContact C-N 3.27Å; M76-E78 PolarHBondContact O-N 3.06Å
79	C	43.7	Very low	50.7	Low	82 Å²	82	85.9 Å²	85.9	55%	0.554	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-104.2	12.1	-171.7	-67.3	0	0	0	0	115.8	S77 D81	S77-C79 VanDerWaalsContact C-N 3.29Å; C79-D81 PolarHBondContact O-N 2.64Å
80	Y	45.4	Very low	50.1	Low	152 Å²	152	91 Å²	91	60%	0.596	48%	0.484	S	S	*	.			trans	-89.2	87.8	179.8	-65	-75.7	0	0	0	111.2
81	D	47.6	Very low	49.3	Very low	159 Å²	159	90.6 Å²	90.6	85%	0.85	48%	0.481	S	S	*	.	S	Bend	trans	-132.6	-7.5	160.4	-116	-11.7	0	0	0	115.7	C79	C79-D81 PolarHBondContact O-N 2.64Å
82	E	45.7	Very low	48.3	Very low	156 Å²	156	90 Å²	90	73%	0.729	47%	0.474	S	S	*	.	S	Bend	trans	-138.7	133.1	171.7	-72.5	-172.4	166.1	0	0	113	V84	E82-V84 PolarHBondContact O-N 3.44Å
83	N	47.6	Very low	47.9	Very low	77 Å²	77	93.3 Å²	93.3	41%	0.412	48%	0.484	S	S	.	.			trans	-56.2	91.4	-162.3	-158	0.2	0	0	0	112.5	I85 D86 K87	N83-I85 PolarHBondContact O-N 3.26Å; N83-I85 VanDerWaalsContact O-N 3.11Å; N83-I85 VanDerWaalsContact OD1-CB 3.24Å; N83-I85 WeakPolarHBondContact OD1-CB 3.37Å; N83-I85 PolarHBondContact OD1-N 2.82Å; N83-D86 HydrophobicContact CB-CB 3.99Å; N83-D86 VanDerWaalsContact CB-OD2 3.26Å; N83-D86 WeakPolarHBondContact CB-OD2 3.46Å; N83-D86 VanDerWaalsContact CG-CG 3.47Å; N83-D86 PolarHBondContact ND2-OD1 3.46Å; N83-D86 PolarHBondContact ND2-OD2 2.85Å; N83-D86 WeakPolarHBondContact O-CB 3.25Å; N83-D86 PolarHBondContact O-N 3.02Å; N83-K87 PolarHBondContact O-N 3.37Å
84	V	47.4	Very low	47.4	Very low	31 Å²	31	94 Å²	94	19%	0.188	49%	0.494	C	S	.	.	H	α-helix	trans	-58.8	-23.4	173.9	-177.1	0	0	0	0	110.4	M22 E82 K87 L88	M22-V84 HydrophobicContact CB-CG1 4.27Å; M22-V84 HydrophobicContact CE-CB 3.49Å; M22-V84 VanDerWaalsContact CE-CB 3.49Å; M22-V84 HydrophobicContact CE-CG1 3.65Å; M22-V84 HydrophobicContact CG-CB 4.08Å; M22-V84 HydrophobicContact CG-CG1 3.49Å; M22-V84 VanDerWaalsContact CG-CG1 3.49Å; M22-V84 HydrophobicContact SD-CB 3.52Å; M22-V84 VanDerWaalsContact SD-CB 3.52Å; M22-V84 HydrophobicContact SD-CG1 3.65Å; M22-V84 HydrophobicContact SD-CG2 4.41Å; E82-V84 PolarHBondContact O-N 3.44Å; V84-K87 PolarHBondContact O-N 3.16Å; V84-L88 HydrophobicContact CG1-CD1 4.35Å; V84-L88 WeakPolarHBondContact O-CB 3.32Å; V84-L88 WeakPolarHBondContact O-CG 3.35Å; V84-L88 PolarHBondContact O-N 2.94Å
85	I	48.4	Very low	47.3	Very low	76 Å²	76	95.4 Å²	95.4	39%	0.39	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-46.1	172.5	-51	-179.6	0	0	0	109.3	M22 N83 K87 L88 V89	M22-I85 HydrophobicContact CE-CB 4.05Å; M22-I85 HydrophobicContact CE-CG1 3.32Å; N83-I85 PolarHBondContact O-N 3.26Å; N83-I85 VanDerWaalsContact O-N 3.11Å; N83-I85 VanDerWaalsContact OD1-CB 3.24Å; N83-I85 WeakPolarHBondContact OD1-CB 3.37Å; N83-I85 PolarHBondContact OD1-N 2.82Å; I85-K87 PolarHBondContact O-N 3.11Å; I85-L88 WeakPolarHBondContact O-CB 3.41Å; I85-L88 PolarHBondContact O-N 3.45Å; I85-V89 HydrophobicContact CG2-CG2 4.23Å; I85-V89 WeakPolarHBondContact O-CB 3.13Å; I85-V89 VanDerWaalsContact O-CG2 3.28Å; I85-V89 WeakPolarHBondContact O-CG2 3.15Å; I85-V89 PolarHBondContact O-N 2.85Å
86	D	50.7	Low	47.1	Very low	87 Å²	87	93.7 Å²	93.7	47%	0.465	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-41.6	179.2	-69.4	-18.9	0	0	0	111.7	N83 L88 V89 N90	N83-D86 HydrophobicContact CB-CB 3.99Å; N83-D86 VanDerWaalsContact CB-OD2 3.26Å; N83-D86 WeakPolarHBondContact CB-OD2 3.46Å; N83-D86 VanDerWaalsContact CG-CG 3.47Å; N83-D86 PolarHBondContact ND2-OD1 3.46Å; N83-D86 PolarHBondContact ND2-OD2 2.85Å; N83-D86 WeakPolarHBondContact O-CB 3.25Å; N83-D86 PolarHBondContact O-N 3.02Å; D86-L88 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 3.18Å; D86-V89 PolarHBondContact O-N 2.75Å; D86-N90 WeakPolarHBondContact O-CB 3.28Å; D86-N90 PolarHBondContact O-N 2.99Å; D86-N90 PolarHBondContact O-ND2 2.87Å; D86-N90 VanDerWaalsContact O-ND2 3.14Å
87	K	49.1	Very low	46.8	Very low	89 Å²	89	95.7 Å²	95.7	39%	0.387	50%	0.498	S	S	.	.	H	α-helix	trans	-62.8	-36.9	176.1	-70	-176.6	-178.9	174.3	0	111.8	F10 N83 V84 I85 F91	F10-K87 HydrophobicContact CZ-CD 4.4Å; N83-K87 PolarHBondContact O-N 3.37Å; V84-K87 PolarHBondContact O-N 3.16Å; I85-K87 PolarHBondContact O-N 3.11Å; K87-F91 WeakPolarHBondContact O-CB 3.48Å; K87-F91 PolarHBondContact O-N 2.95Å
88	L	44.4	Very low	46.7	Very low	6 Å²	6	95.7 Å²	95.7	3%	0.031	50%	0.503	C	S	.	.	H	α-helix	trans	-70.9	-46.2	177	-86.9	173.4	0	0	0	113.7	I19 M22 I23 V84 I85 D86 N90 F91 F92	I19-L88 HydrophobicContact CB-CD2 3.59Å; I19-L88 HydrophobicContact CB-CG 4.4Å; I19-L88 HydrophobicContact CD1-CD2 4.48Å; I19-L88 HydrophobicContact CG1-CD2 3.67Å; I19-L88 HydrophobicContact CG1-CG 4.19Å; I19-L88 HydrophobicContact CG2-CD2 3.29Å; I19-L88 WeakPolarHBondContact O-CD1 3.22Å; M22-L88 HydrophobicContact CB-CD1 3.38Å; M22-L88 HydrophobicContact CE-CD1 3.87Å; M22-L88 HydrophobicContact CG-CD1 4.29Å; I23-L88 HydrophobicContact CD1-CD2 3.53Å; I23-L88 HydrophobicContact CG1-CD1 3.88Å; I23-L88 HydrophobicContact CG1-CD2 3.67Å; I23-L88 HydrophobicContact CG1-CG 4.41Å; V84-L88 HydrophobicContact CG1-CD1 4.35Å; V84-L88 WeakPolarHBondContact O-CB 3.32Å; V84-L88 WeakPolarHBondContact O-CG 3.35Å; V84-L88 PolarHBondContact O-N 2.94Å; I85-L88 WeakPolarHBondContact O-CB 3.41Å; I85-L88 PolarHBondContact O-N 3.45Å; D86-L88 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 3.18Å; L88-N90 PolarHBondContact O-N 2.65Å; L88-F91 WeakPolarHBondContact O-CB 3.38Å; L88-F91 PolarHBondContact O-N 2.9Å; L88-F91 VanDerWaalsContact O-N 3.12Å; L88-F92 HydrophobicContact CD2-CE2 4.06Å; L88-F92 VanDerWaalsContact O-CD2 3.25Å; L88-F92 WeakPolarHBondContact O-CD2 3.49Å; L88-F92 PolarHBondContact O-N 3.02Å
89	V	51.6	Low	46.5	Very low	66 Å²	66	90.5 Å²	90.5	40%	0.4	49%	0.492	S	S	.	.	H	α-helix	trans	-57.5	-43	173.7	169.4	0	0	0	0	109.3	I85 D86 F92 N93	I85-V89 HydrophobicContact CG2-CG2 4.23Å; I85-V89 WeakPolarHBondContact O-CB 3.13Å; I85-V89 VanDerWaalsContact O-CG2 3.28Å; I85-V89 WeakPolarHBondContact O-CG2 3.15Å; I85-V89 PolarHBondContact O-N 2.85Å; D86-V89 PolarHBondContact O-N 2.75Å; V89-F92 PolarHBondContact O-N 3.17Å; V89-N93 WeakPolarHBondContact CG1-ND2 3.37Å; V89-N93 WeakPolarHBondContact O-CB 3.24Å; V89-N93 PolarHBondContact O-N 3.15Å; V89-N93 PolarHBondContact O-ND2 2.73Å
90	N	57.2	Low	45.9	Very low	112 Å²	112	94.7 Å²	94.7	60%	0.599	50%	0.503	S	S	*	.	H	α-helix	trans	-65.1	-38.6	174.9	-71.3	-26.9	0	0	0	113.2	D86 L88 G94	D86-N90 WeakPolarHBondContact O-CB 3.28Å; D86-N90 PolarHBondContact O-N 2.99Å; D86-N90 PolarHBondContact O-ND2 2.87Å; D86-N90 VanDerWaalsContact O-ND2 3.14Å; L88-N90 PolarHBondContact O-N 2.65Å; N90-G94 PolarHBondContact O-N 3.03Å
91	F	49.6	Very low	45.5	Very low	99 Å²	99	97.8 Å²	97.8	43%	0.434	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-44.9	175.9	178.2	-97.2	0	0	0	112	K87 L88 G94 S95	K87-F91 WeakPolarHBondContact O-CB 3.48Å; K87-F91 PolarHBondContact O-N 2.95Å; L88-F91 WeakPolarHBondContact O-CB 3.38Å; L88-F91 PolarHBondContact O-N 2.9Å; L88-F91 VanDerWaalsContact O-N 3.12Å; F91-G94 PolarHBondContact O-N 3.28Å; F91-S95 PolarHBondContact O-N 3.07Å
92	F	43	Very low	45.4	Very low	96 Å²	96	94.7 Å²	94.7	42%	0.421	51%	0.512	S	S	.	.	H	α-helix	trans	-73	-38.3	177.7	-74.8	-64.3	0	0	0	112.9	I23 L88 V89 G94 S95	I23-F92 HydrophobicContact CD1-CE2 3.38Å; I23-F92 HydrophobicContact CD1-CZ 3.43Å; I23-F92 VanDerWaalsContact CD1-CZ 3.43Å; I23-F92 HydrophobicContact CG1-CE2 3.75Å; I23-F92 HydrophobicContact CG1-CZ 4.19Å; L88-F92 HydrophobicContact CD2-CE2 4.06Å; L88-F92 VanDerWaalsContact O-CD2 3.25Å; L88-F92 WeakPolarHBondContact O-CD2 3.49Å; L88-F92 PolarHBondContact O-N 3.02Å; V89-F92 PolarHBondContact O-N 3.17Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 3.33Å; F92-S95 WeakPolarHBondContact O-CB 3.06Å; F92-S95 PolarHBondContact O-N 2.72Å; F92-S95 VanDerWaalsContact O-N 3.12Å; F92-S95 PolarHBondContact O-OG 2.74Å
93	N	50.7	Low	45.4	Very low	104 Å²	104	91.5 Å²	91.5	56%	0.556	50%	0.501	S	S	*	.	H	α-helix	trans	-68	-28.7	174.7	-69.6	-16.2	0	0	0	112.1	V89 S95	V89-N93 WeakPolarHBondContact CG1-ND2 3.37Å; V89-N93 WeakPolarHBondContact O-CB 3.24Å; V89-N93 PolarHBondContact O-N 3.15Å; V89-N93 PolarHBondContact O-ND2 2.73Å; N93-S95 VanDerWaalsContact C-N 3.32Å
94	G	46.9	Very low	45.3	Very low	34 Å²	34	92.3 Å²	92.3	35%	0.351	51%	0.506	S	S	.	.	H	α-helix	trans	-74.5	-20.5	171.8	0	0	0	0	0	113.5	N90 F91 F92 D96 E97	N90-G94 PolarHBondContact O-N 3.03Å; F91-G94 PolarHBondContact O-N 3.28Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 3.33Å; G94-D96 PolarHBondContact O-N 3.1Å; G94-E97 WeakPolarHBondContact O-CB 3.44Å; G94-E97 PolarHBondContact O-N 2.73Å; G94-E97 VanDerWaalsContact O-N 3.07Å
95	S	47	Very low	45.1	Very low	58 Å²	58	95.9 Å²	95.9	41%	0.406	53%	0.525	S	S	.	.	H	α-helix	trans	-70.6	-16.6	178	76.7	0	0	0	0	113.8	F91 F92 N93 E97 A98 A99	F91-S95 PolarHBondContact O-N 3.07Å; F92-S95 WeakPolarHBondContact O-CB 3.06Å; F92-S95 PolarHBondContact O-N 2.72Å; F92-S95 VanDerWaalsContact O-N 3.12Å; F92-S95 PolarHBondContact O-OG 2.74Å; N93-S95 VanDerWaalsContact C-N 3.32Å; S95-E97 PolarHBondContact O-N 2.75Å; S95-A98 PolarHBondContact O-N 3.4Å; S95-A98 VanDerWaalsContact O-N 3.14Å; S95-A99 PolarHBondContact O-N 2.81Å
96	D	43.5	Very low	44.9	Very low	113 Å²	113	97.1 Å²	97.1	60%	0.604	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-24.6	168.5	-95.4	-14.1	0	0	0	112.3	G94 A99	G94-D96 PolarHBondContact O-N 3.1Å; D96-A99 PolarHBondContact O-N 2.87Å
97	E	39.4	Very low	44.6	Very low	157 Å²	157	97.8 Å²	97.8	73%	0.734	54%	0.538	S	S	*	.	H	α-helix	trans	-75.7	-26.1	173.4	-68	-176	154.3	0	0	112.2	G94 S95	G94-E97 WeakPolarHBondContact O-CB 3.44Å; G94-E97 PolarHBondContact O-N 2.73Å; G94-E97 VanDerWaalsContact O-N 3.07Å; S95-E97 PolarHBondContact O-N 2.75Å
98	A	39.6	Very low	44.2	Very low	72 Å²	72	98.4 Å²	98.4	60%	0.595	55%	0.548	S	S	*	.	H	α-helix	trans	-79.6	-21.4	172.6	0	0	0	0	0	112.8	S95 Q100	S95-A98 PolarHBondContact O-N 3.4Å; S95-A98 VanDerWaalsContact O-N 3.14Å; A98-Q100 VanDerWaalsContact C-N 3.27Å; A98-Q100 PolarHBondContact O-N 3.23Å
99	A	37.5	Very low	44.2	Very low	75 Å²	75	105.5 Å²	105.5	62%	0.62	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-8.9	175.4	0	0	0	0	0	113.6	S95 D96	S95-A99 PolarHBondContact O-N 2.81Å; D96-A99 PolarHBondContact O-N 2.87Å
100	Q	32.2	Very low	43.6	Very low	170 Å²	170	108.8 Å²	108.8	79%	0.794	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	3.6	177.3	-66.9	-175.3	32.5	0	0	114.5	A98	A98-Q100 VanDerWaalsContact C-N 3.27Å; A98-Q100 PolarHBondContact O-N 3.23Å
101	L	36.7	Very low	42.4	Very low	216 Å²	216	108.5 Å²	108.5	100%	1.131	60%	0.604	S	S	*	*			trans	-105	0	169.5	-78.4	168.5	0	0	0	110.9

Retrieved 101 of 101 residues in 52.7 ms (Link to these results)

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