A0A077Z1B6_TRITR Loading...

BrkDBD domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1B6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 73 aa.

						>A0A077Z1B6_TRITR|A0A077Z1B6
MTQRSYEAGFKLEVVEMAKESNNAQAARKYRITRKMVTDWRKQEEALKMMPKEQCARRSGIDSCPELENSLAE
					

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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	48.9	Very low	78.7	Confident	247 Å²	247	100.7 Å²	100.7	100%	1.217	51%	0.508	S	S	*	.				0	117.5	0	-72.6	176.8	-173.5	0	0	107.6	Q3	M1-Q3 PolarHBondContact O-N 2.78Å
2	T	60.1	Low	79.9	Confident	136 Å²	136	95.8 Å²	95.8	83%	0.834	48%	0.484	S	S	*	.			trans	-72.2	123.5	174.6	32.8	0	0	0	0	109.2	R4	T2-R4 PolarHBondContact O-N 3.09Å
3	Q	64.5	Low	81	Confident	187 Å²	187	96.5 Å²	96.5	87%	0.874	48%	0.484	S	S	*	.			trans	-68	114.4	173	-174.4	176.8	5	0	0	107.5	M1 S5	M1-Q3 PolarHBondContact O-N 2.78Å; Q3-S5 PolarHBondContact O-N 3.16Å
4	R	74.4	Confident	82	Confident	181 Å²	181	89.6 Å²	89.6	68%	0.683	45%	0.45	S	S	*	.			trans	-70.9	128.6	171.7	-73.1	-177.5	-178.7	-175	-0.3	108.6	T2 Y6	T2-R4 PolarHBondContact O-N 3.09Å; R4-Y6 HydrophobicContact CB-CD2 4.22Å; R4-Y6 HydrophobicContact CB-CE1 4.49Å; R4-Y6 HydrophobicContact CB-CE2 3.41Å; R4-Y6 VanDerWaalsContact CB-CE2 3.41Å; R4-Y6 WeakPolarHBondContact CD-OH 3.28Å; R4-Y6 WeakPolarHBondContact O-CD2 3.26Å; R4-Y6 VanDerWaalsContact O-CE2 3.26Å; R4-Y6 WeakPolarHBondContact O-CE2 3.4Å
5	S	79.9	Confident	82.9	Confident	100 Å²	100	83.7 Å²	83.7	70%	0.699	42%	0.421	S	S	*	.			trans	-70.4	134.2	167	-55.7	0	0	0	0	108.2	Q3	Q3-S5 PolarHBondContact O-N 3.16Å
6	Y	87.4	Confident	83.7	Confident	40 Å²	40	86 Å²	86	16%	0.157	43%	0.429	C	S	.	.			trans	-130.3	138.8	172	-59.7	-91.9	0	0	0	108	R4 F10 K11 I32 M36 W40	R4-Y6 HydrophobicContact CB-CD2 4.22Å; R4-Y6 HydrophobicContact CB-CE1 4.49Å; R4-Y6 HydrophobicContact CB-CE2 3.41Å; R4-Y6 VanDerWaalsContact CB-CE2 3.41Å; R4-Y6 WeakPolarHBondContact CD-OH 3.28Å; R4-Y6 WeakPolarHBondContact O-CD2 3.26Å; R4-Y6 VanDerWaalsContact O-CE2 3.26Å; R4-Y6 WeakPolarHBondContact O-CE2 3.4Å; Y6-F10 AromaticContact CD1-CD1 3.49Å; Y6-F10 HydrophobicContact CD1-CD1 3.49Å; Y6-F10 VanDerWaalsContact CD1-CD1 3.49Å; Y6-F10 AromaticContact CD1-CE1 3.38Å; Y6-F10 HydrophobicContact CD1-CE1 3.38Å; Y6-F10 HydrophobicContact CD1-CZ 4.35Å; Y6-F10 HydrophobicContact CE1-CD1 4.34Å; Y6-F10 AromaticContact CE1-CE1 3.77Å; Y6-F10 HydrophobicContact CE1-CE1 3.77Å; Y6-F10 HydrophobicContact CE1-CZ 4.48Å; Y6-F10 HydrophobicContact CG-CD1 4.06Å; Y6-F10 HydrophobicContact CG-CE1 4.23Å; Y6-K11 WeakPolarHBondContact O-CE 3.32Å; Y6-K11 PolarHBondContact O-NZ 3.14Å; Y6-K11 VanDerWaalsContact O-NZ 3.1Å; Y6-I32 HydrophobicContact CE1-CG2 4.23Å; Y6-M36 HydrophobicContact CD2-CE 3.85Å; Y6-M36 HydrophobicContact CE2-CE 3.19Å; Y6-W40 HydrophobicContact CD1-CH2 4.35Å; Y6-W40 AromaticContact CD2-CH2 3.83Å; Y6-W40 HydrophobicContact CD2-CH2 3.83Å; Y6-W40 AromaticContact CD2-CZ2 3.71Å; Y6-W40 HydrophobicContact CD2-CZ2 3.71Å; Y6-W40 HydrophobicContact CE2-CH2 4.2Å; Y6-W40 HydrophobicContact CE2-CZ2 4.26Å; Y6-W40 AromaticContact CG-CH2 3.91Å; Y6-W40 HydrophobicContact CG-CH2 3.91Å; Y6-W40 HydrophobicContact CG-CZ2 4.11Å
7	E	88	Confident	84.3	Confident	107 Å²	107	83.4 Å²	83.4	50%	0.5	42%	0.416	S	S	.	.			trans	-60.4	150.6	173.2	-68.7	173.8	-165.3	0	0	111	G9 F10 K11	E7-G9 VanDerWaalsContact C-N 3.27Å; E7-G9 PolarHBondContact O-N 2.92Å; E7-F10 PolarHBondContact O-N 3.19Å; E7-K11 WeakPolarHBondContact O-CG 3.44Å; E7-K11 PolarHBondContact O-N 3.12Å
8	A	88.4	Confident	84.8	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.008	39%	0.394	C	S	.	.	H	α-helix	trans	-62.7	-37.9	179	0	0	0	0	0	111.4	K11 L12 L47 M50 K52	A8-K11 PolarHBondContact O-N 3.01Å; A8-L12 WeakPolarHBondContact O-CG 3.32Å; A8-L12 PolarHBondContact O-N 3.01Å; A8-L12 VanDerWaalsContact O-N 3.09Å; A8-L47 HydrophobicContact CB-CD2 4.37Å; A8-M50 HydrophobicContact CB-CB 4.13Å; A8-K52 PolarHBondContact N-O 3.1Å; A8-K52 VanDerWaalsContact N-O 3.13Å
9	G	89.8	Confident	85.3	Confident	24 Å²	24	80.2 Å²	80.2	25%	0.247	40%	0.397	C	S	.	.	H	α-helix	trans	-57.8	-48.9	175.6	0	0	0	0	0	112.8	E7 K11 L12 E13 K52	E7-G9 VanDerWaalsContact C-N 3.27Å; E7-G9 PolarHBondContact O-N 2.92Å; G9-K11 VanDerWaalsContact C-N 3.33Å; G9-K11 PolarHBondContact O-N 3.21Å; G9-L12 PolarHBondContact O-N 3.12Å; G9-L12 VanDerWaalsContact O-N 3.17Å; G9-E13 PolarHBondContact O-N 3.45Å; G9-E13 VanDerWaalsContact O-N 3.12Å; G9-K52 PolarHBondContact N-O 3.39Å
10	F	91.6	Very high	85.7	Confident	54 Å²	54	83.3 Å²	83.3	24%	0.237	41%	0.41	C	S	.	.	H	α-helix	trans	-59.9	-42.3	176.6	177.9	-98.4	0	0	0	112.3	Y6 E7 L12 E13 V14 Y30 W40	Y6-F10 AromaticContact CD1-CD1 3.49Å; Y6-F10 HydrophobicContact CD1-CD1 3.49Å; Y6-F10 VanDerWaalsContact CD1-CD1 3.49Å; Y6-F10 AromaticContact CD1-CE1 3.38Å; Y6-F10 HydrophobicContact CD1-CE1 3.38Å; Y6-F10 HydrophobicContact CD1-CZ 4.35Å; Y6-F10 HydrophobicContact CE1-CD1 4.34Å; Y6-F10 AromaticContact CE1-CE1 3.77Å; Y6-F10 HydrophobicContact CE1-CE1 3.77Å; Y6-F10 HydrophobicContact CE1-CZ 4.48Å; Y6-F10 HydrophobicContact CG-CD1 4.06Å; Y6-F10 HydrophobicContact CG-CE1 4.23Å; E7-F10 PolarHBondContact O-N 3.19Å; F10-L12 VanDerWaalsContact C-N 3.27Å; F10-L12 PolarHBondContact O-N 3.1Å; F10-E13 PolarHBondContact O-N 3Å; F10-V14 HydrophobicContact CD1-CG2 4.16Å; F10-V14 HydrophobicContact CE1-CG2 3.75Å; F10-V14 HydrophobicContact CE2-CG2 4.3Å; F10-V14 HydrophobicContact CZ-CG2 3.84Å; F10-V14 VanDerWaalsContact O-CG2 3.29Å; F10-V14 WeakPolarHBondContact O-CG2 3.33Å; F10-V14 PolarHBondContact O-N 3.45Å; F10-V14 VanDerWaalsContact O-N 3.1Å; F10-Y30 AromaticContact CE2-CD1 3.77Å; F10-Y30 HydrophobicContact CE2-CD1 3.77Å; F10-Y30 HydrophobicContact CE2-CE1 4.17Å; F10-Y30 AromaticContact CZ-CD1 3.8Å; F10-Y30 HydrophobicContact CZ-CD1 3.8Å; F10-Y30 HydrophobicContact CZ-CG 4.24Å; F10-W40 HydrophobicContact CD1-CH2 4.47Å; F10-W40 HydrophobicContact CE1-CH2 4.28Å; F10-W40 HydrophobicContact CE1-CZ3 4.31Å
11	K	92.3	Very high	86	Confident	31 Å²	31	81.7 Å²	81.7	14%	0.135	41%	0.408	C	S	.	.	H	α-helix	trans	-62.1	-36.5	178.2	-65.5	174.4	-175.7	158.2	0	112	Y6 E7 A8 G9 V15 W40 L47	Y6-K11 WeakPolarHBondContact O-CE 3.32Å; Y6-K11 PolarHBondContact O-NZ 3.14Å; Y6-K11 VanDerWaalsContact O-NZ 3.1Å; E7-K11 WeakPolarHBondContact O-CG 3.44Å; E7-K11 PolarHBondContact O-N 3.12Å; A8-K11 PolarHBondContact O-N 3.01Å; G9-K11 VanDerWaalsContact C-N 3.33Å; G9-K11 PolarHBondContact O-N 3.21Å; K11-V15 VanDerWaalsContact O-CG2 3.28Å; K11-V15 WeakPolarHBondContact O-CG2 3.26Å; K11-V15 PolarHBondContact O-N 3Å; K11-V15 VanDerWaalsContact O-N 3.08Å; K11-W40 HydrophobicContact CB-CD2 3.95Å; K11-W40 HydrophobicContact CB-CE3 4.01Å; K11-W40 HydrophobicContact CB-CG 4.26Å; K11-W40 HydrophobicContact CB-CZ3 4.44Å; K11-W40 HydrophobicContact CD-CD2 4.14Å; K11-W40 HydrophobicContact CD-CG 4.33Å; K11-W40 HydrophobicContact CD-CZ2 4.12Å; K11-W40 HydrophobicContact CG-CD2 3.69Å; K11-W40 HydrophobicContact CG-CE3 3.93Å; K11-W40 HydrophobicContact CG-CG 4.26Å; K11-W40 HydrophobicContact CG-CH2 3.94Å; K11-W40 HydrophobicContact CG-CZ2 3.71Å; K11-W40 HydrophobicContact CG-CZ3 4.04Å; K11-L47 HydrophobicContact CB-CD1 3.72Å; K11-L47 HydrophobicContact CB-CD2 4.27Å; K11-L47 HydrophobicContact CD-CD1 4.22Å; K11-L47 HydrophobicContact CD-CD2 3.63Å
12	L	93.8	Very high	88	Confident	42 Å²	42	74.5 Å²	74.5	22%	0.22	37%	0.374	C	S	.	.	H	α-helix	trans	-68	-43.7	177.3	-72.5	170.5	0	0	0	112	A8 G9 F10 V14 V15 E16 E44 L47 K48	A8-L12 WeakPolarHBondContact O-CG 3.32Å; A8-L12 PolarHBondContact O-N 3.01Å; A8-L12 VanDerWaalsContact O-N 3.09Å; G9-L12 PolarHBondContact O-N 3.12Å; G9-L12 VanDerWaalsContact O-N 3.17Å; F10-L12 VanDerWaalsContact C-N 3.27Å; F10-L12 PolarHBondContact O-N 3.1Å; L12-V14 VanDerWaalsContact C-N 3.29Å; L12-V14 PolarHBondContact O-N 3.48Å; L12-V15 WeakPolarHBondContact O-CB 2.99Å; L12-V15 PolarHBondContact O-N 3.07Å; L12-V15 VanDerWaalsContact O-N 3.07Å; L12-E16 PolarHBondContact O-N 2.89Å; L12-E44 HydrophobicContact CD2-CG 4.24Å; L12-L47 HydrophobicContact CD2-CB 3.89Å; L12-L47 HydrophobicContact CG-CB 4.19Å; L12-K48 HydrophobicContact CD2-CG 3.94Å
13	E	94.4	Very high	89.5	Confident	104 Å²	104	69.5 Å²	69.5	49%	0.486	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-41.3	176.2	-172	-173.1	174.4	0	0	111.7	G9 F10 V15 E16 M17	G9-E13 PolarHBondContact O-N 3.45Å; G9-E13 VanDerWaalsContact O-N 3.12Å; F10-E13 PolarHBondContact O-N 3Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 3Å; E13-E16 PolarHBondContact O-N 3.24Å; E13-M17 PolarHBondContact O-N 3.24Å; E13-M17 VanDerWaalsContact O-N 3.07Å
14	V	95.3	Very high	90.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-41.5	174.8	171.6	0	0	0	0	111.5	F10 L12 A18 Y30 I32 V37 W40	F10-V14 HydrophobicContact CD1-CG2 4.16Å; F10-V14 HydrophobicContact CE1-CG2 3.75Å; F10-V14 HydrophobicContact CE2-CG2 4.3Å; F10-V14 HydrophobicContact CZ-CG2 3.84Å; F10-V14 VanDerWaalsContact O-CG2 3.29Å; F10-V14 WeakPolarHBondContact O-CG2 3.33Å; F10-V14 PolarHBondContact O-N 3.45Å; F10-V14 VanDerWaalsContact O-N 3.1Å; L12-V14 VanDerWaalsContact C-N 3.29Å; L12-V14 PolarHBondContact O-N 3.48Å; V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.16Å; V14-A18 PolarHBondContact O-N 3.35Å; V14-Y30 HydrophobicContact CB-CD2 4.29Å; V14-Y30 HydrophobicContact CB-CE2 4.33Å; V14-Y30 HydrophobicContact CG1-CD2 4.23Å; V14-Y30 HydrophobicContact CG2-CD1 4.09Å; V14-Y30 HydrophobicContact CG2-CD2 3.65Å; V14-Y30 HydrophobicContact CG2-CE1 4.31Å; V14-Y30 HydrophobicContact CG2-CE2 3.87Å; V14-Y30 HydrophobicContact CG2-CG 3.77Å; V14-I32 HydrophobicContact CB-CD1 4.43Å; V14-I32 HydrophobicContact CG1-CD1 3.43Å; V14-I32 VanDerWaalsContact CG1-CD1 3.43Å; V14-I32 HydrophobicContact CG2-CD1 4.17Å; V14-V37 HydrophobicContact CG1-CG1 4.36Å; V14-V37 HydrophobicContact CG1-CG2 3.96Å; V14-W40 HydrophobicContact CB-CE3 4.16Å; V14-W40 HydrophobicContact CB-CZ3 4.1Å; V14-W40 HydrophobicContact CG1-CE3 3.92Å; V14-W40 HydrophobicContact CG1-CZ3 3.93Å; V14-W40 HydrophobicContact CG2-CZ3 4.09Å
15	V	94.8	Very high	91.8	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-41.9	179.4	163	0	0	0	0	111.3	K11 L12 E13 A18 K19 W40 R41 E44	K11-V15 VanDerWaalsContact O-CG2 3.28Å; K11-V15 WeakPolarHBondContact O-CG2 3.26Å; K11-V15 PolarHBondContact O-N 3Å; K11-V15 VanDerWaalsContact O-N 3.08Å; L12-V15 WeakPolarHBondContact O-CB 2.99Å; L12-V15 PolarHBondContact O-N 3.07Å; L12-V15 VanDerWaalsContact O-N 3.07Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 3Å; V15-A18 PolarHBondContact O-N 2.68Å; V15-K19 WeakPolarHBondContact O-CG 3.26Å; V15-K19 PolarHBondContact O-N 2.85Å; V15-W40 HydrophobicContact CG2-CB 3.69Å; V15-R41 HydrophobicContact CB-CG 4.47Å; V15-R41 HydrophobicContact CG1-CG 4.04Å; V15-R41 HydrophobicContact CG2-CG 4.03Å; V15-E44 HydrophobicContact CG1-CB 4.38Å; V15-E44 HydrophobicContact CG1-CG 3.96Å
16	E	95.3	Very high	92.6	Very high	120 Å²	120	54.5 Å²	54.5	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-59.4	-50.5	175.6	-175.1	169.2	-156.4	0	0	110.9	L12 E13 A18 K19 E20	L12-E16 PolarHBondContact O-N 2.89Å; E13-E16 PolarHBondContact O-N 3.24Å; E16-A18 VanDerWaalsContact C-N 3.26Å; E16-A18 PolarHBondContact O-N 2.67Å; E16-K19 WeakPolarHBondContact O-CB 3.29Å; E16-K19 PolarHBondContact O-N 2.87Å; E16-E20 PolarHBondContact O-N 3.32Å; E16-E20 VanDerWaalsContact O-N 3.09Å
17	M	94.1	Very high	92.9	Very high	41 Å²	41	53 Å²	53	20%	0.202	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-36.1	175.8	-172.7	137.5	-67.8	0	0	113.3	E13 K19 S21 A26 K29 Y30	E13-M17 PolarHBondContact O-N 3.24Å; E13-M17 VanDerWaalsContact O-N 3.07Å; M17-K19 VanDerWaalsContact C-N 3.31Å; M17-S21 PolarHBondContact O-N 2.92Å; M17-S21 VanDerWaalsContact O-N 3.16Å; M17-S21 PolarHBondContact O-OG 3.17Å; M17-A26 HydrophobicContact CG-CB 4.45Å; M17-K29 HydrophobicContact SD-CD 3.28Å; M17-K29 WeakPolarHBondContact SD-CD 3.46Å; M17-K29 PolarHBondContact SD-NZ 3.44Å; M17-Y30 HydrophobicContact CB-CE2 4.1Å; M17-Y30 HydrophobicContact CG-CE2 4.24Å; M17-Y30 HydrophobicContact SD-CE2 3.9Å
18	A	94.2	Very high	93.2	Very high	2 Å²	2	58 Å²	58	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-25.6	177.5	0	0	0	0	0	113.1	V14 V15 E16 A26 V37	V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.16Å; V14-A18 PolarHBondContact O-N 3.35Å; V15-A18 PolarHBondContact O-N 2.68Å; E16-A18 VanDerWaalsContact C-N 3.26Å; E16-A18 PolarHBondContact O-N 2.67Å; A18-A26 HydrophobicContact CB-CB 3.86Å; A18-V37 HydrophobicContact CB-CG1 3.53Å
19	K	93.5	Very high	93.5	Very high	104 Å²	104	64.2 Å²	64.2	45%	0.452	31%	0.311	S	S	.	.	H	α-helix	trans	-75.9	-40	172.9	-74.4	178	176.4	-175.9	0	112.1	V15 E16 M17 E44	V15-K19 WeakPolarHBondContact O-CG 3.26Å; V15-K19 PolarHBondContact O-N 2.85Å; E16-K19 WeakPolarHBondContact O-CB 3.29Å; E16-K19 PolarHBondContact O-N 2.87Å; M17-K19 VanDerWaalsContact C-N 3.31Å; K19-E44 WeakPolarHBondContact CE-OE2 3.38Å; K19-E44 IonicContact NZ-OE1 2.67Å; K19-E44 PolarHBondContact NZ-OE1 2.96Å; K19-E44 IonicContact NZ-OE2 2.68Å; K19-E44 PolarHBondContact NZ-OE2 3.02Å
20	E	94.4	Very high	93.6	Very high	142 Å²	142	65.1 Å²	65.1	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-68.3	-37	179.4	-68.4	176.2	173.2	0	0	112.8	E16	E16-E20 PolarHBondContact O-N 3.32Å; E16-E20 VanDerWaalsContact O-N 3.09Å
21	S	90.6	Very high	93.7	Very high	51 Å²	51	73.3 Å²	73.3	36%	0.357	34%	0.337	S	S	.	.	S	Bend	trans	-117.2	-94.4	-174.1	62.1	0	0	0	0	112	M17	M17-S21 PolarHBondContact O-N 2.92Å; M17-S21 VanDerWaalsContact O-N 3.16Å; M17-S21 PolarHBondContact O-OG 3.17Å
22	N	92	Very high	93.7	Very high	95 Å²	95	72.5 Å²	72.5	51%	0.508	33%	0.334	S	S	.	.			trans	-161.2	148.5	177.3	-175.2	-25.2	0	0	0	109	A24 Q25 A26	N22-A24 PolarHBondContact O-N 3.07Å; N22-A24 VanDerWaalsContact O-N 3.12Å; N22-A24 PolarHBondContact OD1-N 3.37Å; N22-A24 VanDerWaalsContact OD1-N 3.1Å; N22-Q25 PolarHBondContact O-N 3.36Å; N22-A26 PolarHBondContact O-N 3.1Å; N22-A26 VanDerWaalsContact O-N 3.12Å
23	N	91.4	Very high	93.6	Very high	31 Å²	31	74.4 Å²	74.4	17%	0.166	35%	0.347	C	S	.	.	H	α-helix	trans	-51	-35.8	172.8	-60.7	0.1	0	0	0	112.7	A27 V37 T38 R41	N23-A27 VanDerWaalsContact O-CB 3.26Å; N23-A27 WeakPolarHBondContact O-CB 3.48Å; N23-A27 PolarHBondContact O-N 3.33Å; N23-V37 HydrophobicContact CB-CB 4.48Å; N23-V37 HydrophobicContact CB-CG1 4Å; N23-T38 PolarHBondContact ND2-OG1 3.12Å; N23-R41 VanDerWaalsContact OD1-CD 3.26Å; N23-R41 WeakPolarHBondContact OD1-CD 3.28Å; N23-R41 PolarHBondContact OD1-NH1 3.07Å
24	A	92.9	Very high	93.5	Very high	33 Å²	33	77.7 Å²	77.7	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-38	178.7	0	0	0	0	0	112.9	N22 R28	N22-A24 PolarHBondContact O-N 3.07Å; N22-A24 VanDerWaalsContact O-N 3.12Å; N22-A24 PolarHBondContact OD1-N 3.37Å; N22-A24 VanDerWaalsContact OD1-N 3.1Å; A24-R28 VanDerWaalsContact O-CG 3.32Å; A24-R28 WeakPolarHBondContact O-CG 3.39Å; A24-R28 PolarHBondContact O-N 3.08Å
25	Q	94.8	Very high	93.3	Very high	121 Å²	121	85 Å²	85	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-72.6	-44.2	179.2	-175.1	171.3	-11.6	0	0	110.9	N22 A27 R28 K29	N22-Q25 PolarHBondContact O-N 3.36Å; Q25-A27 VanDerWaalsContact C-N 3.35Å; Q25-A27 PolarHBondContact O-N 3.17Å; Q25-R28 PolarHBondContact O-N 3.09Å; Q25-K29 PolarHBondContact O-N 3.18Å
26	A	95.2	Very high	93.2	Very high	0 Å²	0	87 Å²	87	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-58.3	-46.3	174.1	0	0	0	0	0	111.5	M17 A18 N22 R28 K29 Y30 V37	M17-A26 HydrophobicContact CG-CB 4.45Å; A18-A26 HydrophobicContact CB-CB 3.86Å; N22-A26 PolarHBondContact O-N 3.1Å; N22-A26 VanDerWaalsContact O-N 3.12Å; A26-R28 VanDerWaalsContact C-N 3.3Å; A26-R28 PolarHBondContact O-N 3.46Å; A26-K29 PolarHBondContact O-N 3.1Å; A26-Y30 HydrophobicContact CB-CD2 4.48Å; A26-Y30 VanDerWaalsContact O-CD2 3.26Å; A26-Y30 WeakPolarHBondContact O-CD2 3.48Å; A26-Y30 PolarHBondContact O-N 2.95Å; A26-V37 HydrophobicContact CB-CG1 4.43Å
27	A	94.3	Very high	93.2	Very high	7 Å²	7	81.3 Å²	81.3	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-57.3	-41.9	176.6	0	0	0	0	0	112.7	N23 Q25 R31 I32 R34 V37	N23-A27 VanDerWaalsContact O-CB 3.26Å; N23-A27 WeakPolarHBondContact O-CB 3.48Å; N23-A27 PolarHBondContact O-N 3.33Å; Q25-A27 VanDerWaalsContact C-N 3.35Å; Q25-A27 PolarHBondContact O-N 3.17Å; A27-R31 WeakPolarHBondContact O-CA 3.48Å; A27-R31 PolarHBondContact O-N 3.36Å; A27-I32 WeakPolarHBondContact CB-O 3.45Å; A27-I32 PolarHBondContact O-N 3.39Å; A27-R34 HydrophobicContact CB-CB 4.39Å; A27-R34 HydrophobicContact CB-CG 3.6Å; A27-V37 HydrophobicContact CB-CG2 4.22Å
28	R	94.6	Very high	93.2	Very high	212 Å²	212	81.8 Å²	81.8	80%	0.8	38%	0.375	S	S	*	.	H	α-helix	trans	-67.6	-43.6	176.7	-72.3	174.6	74.5	175.3	3.8	112.2	A24 Q25 A26	A24-R28 VanDerWaalsContact O-CG 3.32Å; A24-R28 WeakPolarHBondContact O-CG 3.39Å; A24-R28 PolarHBondContact O-N 3.08Å; Q25-R28 PolarHBondContact O-N 3.09Å; A26-R28 VanDerWaalsContact C-N 3.3Å; A26-R28 PolarHBondContact O-N 3.46Å
29	K	94.1	Very high	93.2	Very high	132 Å²	132	84.5 Å²	84.5	57%	0.574	39%	0.389	S	S	*	.	H	α-helix	trans	-64.2	-49.1	-178.7	-169.6	-176.3	-178.6	-179.1	0	111.7	M17 Q25 A26 R31	M17-K29 HydrophobicContact SD-CD 3.28Å; M17-K29 WeakPolarHBondContact SD-CD 3.46Å; M17-K29 PolarHBondContact SD-NZ 3.44Å; Q25-K29 PolarHBondContact O-N 3.18Å; A26-K29 PolarHBondContact O-N 3.1Å; K29-R31 VanDerWaalsContact C-N 3.33Å
30	Y	92.7	Very high	93.2	Very high	43 Å²	43	80.3 Å²	80.3	17%	0.169	37%	0.371	C	S	.	.	H	α-helix	trans	-88	0.7	-177	-64.1	-73.5	0	0	0	113.9	F10 V14 M17 A26 I32	F10-Y30 AromaticContact CE2-CD1 3.77Å; F10-Y30 HydrophobicContact CE2-CD1 3.77Å; F10-Y30 HydrophobicContact CE2-CE1 4.17Å; F10-Y30 AromaticContact CZ-CD1 3.8Å; F10-Y30 HydrophobicContact CZ-CD1 3.8Å; F10-Y30 HydrophobicContact CZ-CG 4.24Å; V14-Y30 HydrophobicContact CB-CD2 4.29Å; V14-Y30 HydrophobicContact CB-CE2 4.33Å; V14-Y30 HydrophobicContact CG1-CD2 4.23Å; V14-Y30 HydrophobicContact CG2-CD1 4.09Å; V14-Y30 HydrophobicContact CG2-CD2 3.65Å; V14-Y30 HydrophobicContact CG2-CE1 4.31Å; V14-Y30 HydrophobicContact CG2-CE2 3.87Å; V14-Y30 HydrophobicContact CG2-CG 3.77Å; M17-Y30 HydrophobicContact CB-CE2 4.1Å; M17-Y30 HydrophobicContact CG-CE2 4.24Å; M17-Y30 HydrophobicContact SD-CE2 3.9Å; A26-Y30 HydrophobicContact CB-CD2 4.48Å; A26-Y30 VanDerWaalsContact O-CD2 3.26Å; A26-Y30 WeakPolarHBondContact O-CD2 3.48Å; A26-Y30 PolarHBondContact O-N 2.95Å; Y30-I32 PolarHBondContact O-N 3.39Å
31	R	92.3	Very high	93.2	Very high	226 Å²	226	78.4 Å²	78.4	85%	0.853	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.7	-176.4	-57.6	-174.3	177.1	-157.4	0.6	113.2	A27 K29	A27-R31 WeakPolarHBondContact O-CA 3.48Å; A27-R31 PolarHBondContact O-N 3.36Å; K29-R31 VanDerWaalsContact C-N 3.33Å
32	I	92.3	Very high	93.3	Very high	15 Å²	15	83.9 Å²	83.9	8%	0.077	38%	0.375	C	S	.	.			trans	-109.7	164.8	176	59.2	-178.3	0	0	0	110.1	Y6 V14 A27 Y30 M36 V37 W40	Y6-I32 HydrophobicContact CE1-CG2 4.23Å; V14-I32 HydrophobicContact CB-CD1 4.43Å; V14-I32 HydrophobicContact CG1-CD1 3.43Å; V14-I32 VanDerWaalsContact CG1-CD1 3.43Å; V14-I32 HydrophobicContact CG2-CD1 4.17Å; A27-I32 WeakPolarHBondContact CB-O 3.45Å; A27-I32 PolarHBondContact O-N 3.39Å; Y30-I32 PolarHBondContact O-N 3.39Å; I32-M36 HydrophobicContact CB-CE 4.41Å; I32-M36 HydrophobicContact CG2-CE 4.36Å; I32-V37 HydrophobicContact CD1-CG2 3.43Å; I32-V37 VanDerWaalsContact CD1-CG2 3.43Å; I32-V37 HydrophobicContact CG1-CG2 3.88Å; I32-W40 HydrophobicContact CD1-CE3 4.39Å; I32-W40 HydrophobicContact CD1-CH2 4.27Å; I32-W40 HydrophobicContact CD1-CZ3 3.63Å
33	T	91.9	Very high	93.2	Very high	81 Å²	81	83.9 Å²	83.9	50%	0.497	37%	0.372	S	S	.	.			trans	-75.7	143.3	177.3	68.3	0	0	0	0	110.7	K35 M36 V37	T33-K35 PolarHBondContact O-N 3.19Å; T33-K35 VanDerWaalsContact O-N 3.15Å; T33-M36 HydrophobicContact CG2-SD 4.47Å; T33-M36 WeakPolarHBondContact O-CB 3.22Å; T33-M36 PolarHBondContact O-N 2.91Å; T33-M36 VanDerWaalsContact O-N 3.07Å; T33-M36 VanDerWaalsContact OG1-CG 3.22Å; T33-M36 WeakPolarHBondContact OG1-CG 3.49Å; T33-M36 PolarHBondContact OG1-N 3.48Å; T33-M36 PolarHBondContact OG1-SD 3.44Å; T33-V37 PolarHBondContact O-N 3.16Å
34	R	92.1	Very high	93.2	Very high	174 Å²	174	83.8 Å²	83.8	66%	0.657	37%	0.37	S	S	*	.	H	α-helix	trans	-55.3	-32.9	175.4	-70.6	-173.6	-70.6	171.6	-2.7	112.6	A27 V37 T38	A27-R34 HydrophobicContact CB-CB 4.39Å; A27-R34 HydrophobicContact CB-CG 3.6Å; R34-V37 PolarHBondContact O-N 2.93Å; R34-T38 PolarHBondContact O-N 3.46Å; R34-T38 VanDerWaalsContact O-N 3.1Å; R34-T38 PolarHBondContact O-OG1 3.3Å
35	K	92.6	Very high	93	Very high	152 Å²	152	88.2 Å²	88.2	66%	0.661	39%	0.386	S	S	*	.	H	α-helix	trans	-60.6	-46	177.1	-179.2	168.9	177.7	164.8	0	111.6	T33 V37 T38 D39	T33-K35 PolarHBondContact O-N 3.19Å; T33-K35 VanDerWaalsContact O-N 3.15Å; K35-V37 VanDerWaalsContact C-N 3.33Å; K35-V37 PolarHBondContact O-N 3.01Å; K35-T38 WeakPolarHBondContact O-CB 3.49Å; K35-T38 PolarHBondContact O-N 3.47Å; K35-D39 VanDerWaalsContact O-CG 3.29Å; K35-D39 PolarHBondContact O-N 3.13Å
36	M	92.1	Very high	92.6	Very high	46 Å²	46	84 Å²	84	23%	0.227	37%	0.371	C	S	.	.	H	α-helix	trans	-60.6	-41.9	177.9	-69.2	162.5	64.9	0	0	112.2	Y6 I32 T33 T38 D39 W40	Y6-M36 HydrophobicContact CD2-CE 3.85Å; Y6-M36 HydrophobicContact CE2-CE 3.19Å; I32-M36 HydrophobicContact CB-CE 4.41Å; I32-M36 HydrophobicContact CG2-CE 4.36Å; T33-M36 HydrophobicContact CG2-SD 4.47Å; T33-M36 WeakPolarHBondContact O-CB 3.22Å; T33-M36 PolarHBondContact O-N 2.91Å; T33-M36 VanDerWaalsContact O-N 3.07Å; T33-M36 VanDerWaalsContact OG1-CG 3.22Å; T33-M36 WeakPolarHBondContact OG1-CG 3.49Å; T33-M36 PolarHBondContact OG1-N 3.48Å; T33-M36 PolarHBondContact OG1-SD 3.44Å; M36-T38 VanDerWaalsContact C-N 3.33Å; M36-T38 PolarHBondContact O-N 3.25Å; M36-D39 PolarHBondContact O-N 3.14Å; M36-W40 HydrophobicContact CB-CZ2 4.24Å; M36-W40 HydrophobicContact CE-CH2 3.62Å; M36-W40 HydrophobicContact CE-CZ2 3.42Å; M36-W40 VanDerWaalsContact CE-CZ2 3.42Å; M36-W40 WeakPolarHBondContact O-CB 3.49Å; M36-W40 PolarHBondContact O-N 3.34Å
37	V	94.1	Very high	92.2	Very high	0 Å²	0	84.2 Å²	84.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.6	-45.3	176.5	-176.9	0	0	0	0	110.9	V14 A18 N23 A26 A27 I32 T33 R34 K35 W40 R41	V14-V37 HydrophobicContact CG1-CG1 4.36Å; V14-V37 HydrophobicContact CG1-CG2 3.96Å; A18-V37 HydrophobicContact CB-CG1 3.53Å; N23-V37 HydrophobicContact CB-CB 4.48Å; N23-V37 HydrophobicContact CB-CG1 4Å; A26-V37 HydrophobicContact CB-CG1 4.43Å; A27-V37 HydrophobicContact CB-CG2 4.22Å; I32-V37 HydrophobicContact CD1-CG2 3.43Å; I32-V37 VanDerWaalsContact CD1-CG2 3.43Å; I32-V37 HydrophobicContact CG1-CG2 3.88Å; T33-V37 PolarHBondContact O-N 3.16Å; R34-V37 PolarHBondContact O-N 2.93Å; K35-V37 VanDerWaalsContact C-N 3.33Å; K35-V37 PolarHBondContact O-N 3.01Å; V37-W40 PolarHBondContact O-N 3.27Å; V37-R41 WeakPolarHBondContact O-CG 3.39Å; V37-R41 PolarHBondContact O-N 3.35Å
38	T	95.1	Very high	91.8	Very high	50 Å²	50	89 Å²	89	31%	0.307	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-44.9	177	-60.9	0	0	0	0	111.9	N23 R34 K35 M36 R41 K42	N23-T38 PolarHBondContact ND2-OG1 3.12Å; R34-T38 PolarHBondContact O-N 3.46Å; R34-T38 VanDerWaalsContact O-N 3.1Å; R34-T38 PolarHBondContact O-OG1 3.3Å; K35-T38 WeakPolarHBondContact O-CB 3.49Å; K35-T38 PolarHBondContact O-N 3.47Å; M36-T38 VanDerWaalsContact C-N 3.33Å; M36-T38 PolarHBondContact O-N 3.25Å; T38-R41 PolarHBondContact O-N 3.13Å; T38-K42 WeakPolarHBondContact O-CG 3.39Å; T38-K42 PolarHBondContact O-N 3.18Å; T38-K42 VanDerWaalsContact O-N 3.13Å
39	D	94.3	Very high	91.5	Very high	59 Å²	59	87.3 Å²	87.3	32%	0.316	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-42.7	179.2	-66.9	-20.3	0	0	0	110.7	K35 M36 R41 K42 Q43	K35-D39 VanDerWaalsContact O-CG 3.29Å; K35-D39 PolarHBondContact O-N 3.13Å; M36-D39 PolarHBondContact O-N 3.14Å; D39-R41 VanDerWaalsContact C-N 3.35Å; D39-R41 PolarHBondContact O-N 3.05Å; D39-K42 WeakPolarHBondContact O-CB 3.49Å; D39-K42 PolarHBondContact O-N 3.37Å; D39-K42 VanDerWaalsContact O-N 3.14Å; D39-Q43 WeakPolarHBondContact O-CB 3.5Å; D39-Q43 WeakPolarHBondContact O-CG 3.42Å; D39-Q43 PolarHBondContact O-N 3.44Å
40	W	94	Very high	90.8	Very high	17 Å²	17	82.3 Å²	82.3	6%	0.064	37%	0.374	C	S	.	.	H	α-helix	trans	-65.1	-35.3	175.8	-63.9	-15.8	0	0	0	113	Y6 F10 K11 V14 V15 I32 M36 V37 K42 Q43 E44 L47	Y6-W40 HydrophobicContact CD1-CH2 4.35Å; Y6-W40 AromaticContact CD2-CH2 3.83Å; Y6-W40 HydrophobicContact CD2-CH2 3.83Å; Y6-W40 AromaticContact CD2-CZ2 3.71Å; Y6-W40 HydrophobicContact CD2-CZ2 3.71Å; Y6-W40 HydrophobicContact CE2-CH2 4.2Å; Y6-W40 HydrophobicContact CE2-CZ2 4.26Å; Y6-W40 AromaticContact CG-CH2 3.91Å; Y6-W40 HydrophobicContact CG-CH2 3.91Å; Y6-W40 HydrophobicContact CG-CZ2 4.11Å; F10-W40 HydrophobicContact CD1-CH2 4.47Å; F10-W40 HydrophobicContact CE1-CH2 4.28Å; F10-W40 HydrophobicContact CE1-CZ3 4.31Å; K11-W40 HydrophobicContact CB-CD2 3.95Å; K11-W40 HydrophobicContact CB-CE3 4.01Å; K11-W40 HydrophobicContact CB-CG 4.26Å; K11-W40 HydrophobicContact CB-CZ3 4.44Å; K11-W40 HydrophobicContact CD-CD2 4.14Å; K11-W40 HydrophobicContact CD-CG 4.33Å; K11-W40 HydrophobicContact CD-CZ2 4.12Å; K11-W40 HydrophobicContact CG-CD2 3.69Å; K11-W40 HydrophobicContact CG-CE3 3.93Å; K11-W40 HydrophobicContact CG-CG 4.26Å; K11-W40 HydrophobicContact CG-CH2 3.94Å; K11-W40 HydrophobicContact CG-CZ2 3.71Å; K11-W40 HydrophobicContact CG-CZ3 4.04Å; V14-W40 HydrophobicContact CB-CE3 4.16Å; V14-W40 HydrophobicContact CB-CZ3 4.1Å; V14-W40 HydrophobicContact CG1-CE3 3.92Å; V14-W40 HydrophobicContact CG1-CZ3 3.93Å; V14-W40 HydrophobicContact CG2-CZ3 4.09Å; V15-W40 HydrophobicContact CG2-CB 3.69Å; I32-W40 HydrophobicContact CD1-CE3 4.39Å; I32-W40 HydrophobicContact CD1-CH2 4.27Å; I32-W40 HydrophobicContact CD1-CZ3 3.63Å; M36-W40 HydrophobicContact CB-CZ2 4.24Å; M36-W40 HydrophobicContact CE-CH2 3.62Å; M36-W40 HydrophobicContact CE-CZ2 3.42Å; M36-W40 VanDerWaalsContact CE-CZ2 3.42Å; M36-W40 WeakPolarHBondContact O-CB 3.49Å; M36-W40 PolarHBondContact O-N 3.34Å; V37-W40 PolarHBondContact O-N 3.27Å; W40-K42 VanDerWaalsContact C-N 3.32Å; W40-K42 PolarHBondContact O-N 3.07Å; W40-Q43 CarbonylContact O-C 3.33Å; W40-Q43 PolarHBondContact O-N 3.15Å; W40-Q43 VanDerWaalsContact O-N 3.16Å; W40-E44 WeakPolarHBondContact O-CA 3.46Å; W40-E44 PolarHBondContact O-N 3.41Å; W40-L47 HydrophobicContact CB-CD1 4.13Å; W40-L47 HydrophobicContact CG-CD1 4.45Å
41	R	93.2	Very high	90.1	Very high	101 Å²	101	84 Å²	84	38%	0.381	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-39.9	171.8	-77.2	-172.4	69.7	175.5	2.9	112.1	V15 N23 V37 T38 D39 Q43 E44	V15-R41 HydrophobicContact CB-CG 4.47Å; V15-R41 HydrophobicContact CG1-CG 4.04Å; V15-R41 HydrophobicContact CG2-CG 4.03Å; N23-R41 VanDerWaalsContact OD1-CD 3.26Å; N23-R41 WeakPolarHBondContact OD1-CD 3.28Å; N23-R41 PolarHBondContact OD1-NH1 3.07Å; V37-R41 WeakPolarHBondContact O-CG 3.39Å; V37-R41 PolarHBondContact O-N 3.35Å; T38-R41 PolarHBondContact O-N 3.13Å; D39-R41 VanDerWaalsContact C-N 3.35Å; D39-R41 PolarHBondContact O-N 3.05Å; R41-Q43 VanDerWaalsContact C-N 3.26Å; R41-Q43 PolarHBondContact O-N 3.26Å; R41-E44 WeakPolarHBondContact O-CB 3.34Å; R41-E44 PolarHBondContact O-N 3.42Å
42	K	93.8	Very high	89.2	Confident	167 Å²	167	80.8 Å²	80.8	73%	0.726	38%	0.382	S	S	*	.	H	α-helix	trans	-67.7	-30	174.7	-67.5	175.8	179	-178.7	0	112.2	T38 D39 W40	T38-K42 WeakPolarHBondContact O-CG 3.39Å; T38-K42 PolarHBondContact O-N 3.18Å; T38-K42 VanDerWaalsContact O-N 3.13Å; D39-K42 WeakPolarHBondContact O-CB 3.49Å; D39-K42 PolarHBondContact O-N 3.37Å; D39-K42 VanDerWaalsContact O-N 3.14Å; W40-K42 VanDerWaalsContact C-N 3.32Å; W40-K42 PolarHBondContact O-N 3.07Å
43	Q	90.3	Very high	88.2	Confident	94 Å²	94	88 Å²	88	44%	0.439	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10.1	-179	-63.8	179.9	-60.8	0	0	113.5	D39 W40 R41 E45 A46 L47	D39-Q43 WeakPolarHBondContact O-CB 3.5Å; D39-Q43 WeakPolarHBondContact O-CG 3.42Å; D39-Q43 PolarHBondContact O-N 3.44Å; W40-Q43 CarbonylContact O-C 3.33Å; W40-Q43 PolarHBondContact O-N 3.15Å; W40-Q43 VanDerWaalsContact O-N 3.16Å; R41-Q43 VanDerWaalsContact C-N 3.26Å; R41-Q43 PolarHBondContact O-N 3.26Å; Q43-E45 PolarHBondContact O-N 3.46Å; Q43-A46 CarbonylContact O-C 3.47Å; Q43-A46 WeakPolarHBondContact O-CA 3.47Å; Q43-A46 PolarHBondContact O-N 3.13Å; Q43-L47 WeakPolarHBondContact O-CG 3.15Å; Q43-L47 PolarHBondContact O-N 2.97Å
44	E	89.9	Confident	87.3	Confident	29 Å²	29	87.4 Å²	87.4	14%	0.136	41%	0.408	C	S	.	.	H	α-helix	trans	-55.9	-49.6	-171.4	-177.3	-169.2	162.6	0	0	112.5	L12 V15 K19 W40 R41 A46 L47 K48	L12-E44 HydrophobicContact CD2-CG 4.24Å; V15-E44 HydrophobicContact CG1-CB 4.38Å; V15-E44 HydrophobicContact CG1-CG 3.96Å; K19-E44 WeakPolarHBondContact CE-OE2 3.38Å; K19-E44 IonicContact NZ-OE1 2.67Å; K19-E44 PolarHBondContact NZ-OE1 2.96Å; K19-E44 IonicContact NZ-OE2 2.68Å; K19-E44 PolarHBondContact NZ-OE2 3.02Å; W40-E44 WeakPolarHBondContact O-CA 3.46Å; W40-E44 PolarHBondContact O-N 3.41Å; R41-E44 WeakPolarHBondContact O-CB 3.34Å; R41-E44 PolarHBondContact O-N 3.42Å; E44-A46 PolarHBondContact O-N 2.85Å; E44-L47 WeakPolarHBondContact O-CA 3.36Å; E44-L47 WeakPolarHBondContact O-CB 3.26Å; E44-L47 PolarHBondContact O-N 3.31Å; E44-K48 WeakPolarHBondContact O-CG 3.14Å; E44-K48 PolarHBondContact O-N 2.88Å; E44-K48 WeakPolarHBondContact OE1-CE 3.45Å; E44-K48 IonicContact OE1-NZ 2.87Å; E44-K48 PolarHBondContact OE1-NZ 2.98Å
45	E	88.9	Confident	86.2	Confident	127 Å²	127	81.8 Å²	81.8	59%	0.593	39%	0.394	S	S	*	.	H	α-helix	trans	-56.8	-41.1	177.9	-66.5	-58.8	112.1	0	0	111.5	Q43 L47 K48 M49	Q43-E45 PolarHBondContact O-N 3.46Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.49Å; E45-K48 PolarHBondContact O-N 3.43Å; E45-K48 IonicContact OE1-NZ 2.85Å; E45-K48 PolarHBondContact OE1-NZ 3.03Å; E45-M49 WeakPolarHBondContact O-CG 3.41Å; E45-M49 PolarHBondContact O-N 2.97Å
46	A	87.8	Confident	85	Confident	31 Å²	31	76.7 Å²	76.7	26%	0.256	38%	0.381	S	S	.	.	H	α-helix	trans	-80.2	-12.6	-178.7	0	0	0	0	0	112.8	Q43 E44 M50 R57	Q43-A46 CarbonylContact O-C 3.47Å; Q43-A46 WeakPolarHBondContact O-CA 3.47Å; Q43-A46 PolarHBondContact O-N 3.13Å; E44-A46 PolarHBondContact O-N 2.85Å; A46-M50 WeakPolarHBondContact O-CG 3.48Å; A46-R57 PolarHBondContact O-NH2 3.43Å
47	L	86.5	Confident	83.8	Confident	6 Å²	6	81.8 Å²	81.8	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-84.4	-35.5	167.8	-72.3	169.9	0	0	0	111.2	A8 K11 L12 W40 Q43 E44 E45 M49 M50	A8-L47 HydrophobicContact CB-CD2 4.37Å; K11-L47 HydrophobicContact CB-CD1 3.72Å; K11-L47 HydrophobicContact CB-CD2 4.27Å; K11-L47 HydrophobicContact CD-CD1 4.22Å; K11-L47 HydrophobicContact CD-CD2 3.63Å; L12-L47 HydrophobicContact CD2-CB 3.89Å; L12-L47 HydrophobicContact CG-CB 4.19Å; W40-L47 HydrophobicContact CB-CD1 4.13Å; W40-L47 HydrophobicContact CG-CD1 4.45Å; Q43-L47 WeakPolarHBondContact O-CG 3.15Å; Q43-L47 PolarHBondContact O-N 2.97Å; E44-L47 WeakPolarHBondContact O-CA 3.36Å; E44-L47 WeakPolarHBondContact O-CB 3.26Å; E44-L47 PolarHBondContact O-N 3.31Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.49Å; L47-M49 VanDerWaalsContact C-N 3.28Å; L47-M49 PolarHBondContact O-N 3.23Å; L47-M50 PolarHBondContact O-N 3.32Å; L47-M50 VanDerWaalsContact O-N 3.13Å
48	K	86	Confident	82.5	Confident	108 Å²	108	91.9 Å²	91.9	47%	0.47	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-33.9	174.2	-70.4	174.1	-175.2	157.9	0	112.6	L12 E44 E45 M50	L12-K48 HydrophobicContact CD2-CG 3.94Å; E44-K48 WeakPolarHBondContact O-CG 3.14Å; E44-K48 PolarHBondContact O-N 2.88Å; E44-K48 WeakPolarHBondContact OE1-CE 3.45Å; E44-K48 IonicContact OE1-NZ 2.87Å; E44-K48 PolarHBondContact OE1-NZ 2.98Å; E45-K48 PolarHBondContact O-N 3.43Å; E45-K48 IonicContact OE1-NZ 2.85Å; E45-K48 PolarHBondContact OE1-NZ 3.03Å; K48-M50 VanDerWaalsContact C-N 3.27Å; K48-M50 PolarHBondContact O-N 2.89Å
49	M	86.7	Confident	80.9	Confident	175 Å²	175	95.7 Å²	95.7	86%	0.862	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.7	175.7	-67	-177.4	119	0	0	113.5	E45 L47	E45-M49 WeakPolarHBondContact O-CG 3.41Å; E45-M49 PolarHBondContact O-N 2.97Å; L47-M49 VanDerWaalsContact C-N 3.28Å; L47-M49 PolarHBondContact O-N 3.23Å
50	M	81.2	Confident	79.2	Confident	28 Å²	28	95.9 Å²	95.9	14%	0.138	48%	0.48	C	S	.	.	S	Bend	trans	-84.9	147	-179.7	-72.4	-176.3	71.9	0	0	111.2	A8 A46 L47 K48 K52 Q54 R57	A8-M50 HydrophobicContact CB-CB 4.13Å; A46-M50 WeakPolarHBondContact O-CG 3.48Å; L47-M50 PolarHBondContact O-N 3.32Å; L47-M50 VanDerWaalsContact O-N 3.13Å; K48-M50 VanDerWaalsContact C-N 3.27Å; K48-M50 PolarHBondContact O-N 2.89Å; M50-K52 PolarHBondContact O-N 3.2Å; M50-Q54 HydrophobicContact CE-CB 4.32Å; M50-Q54 HydrophobicContact CE-CG 4.13Å; M50-R57 HydrophobicContact CE-CB 4.47Å; M50-R57 HydrophobicContact CE-CG 3.51Å; M50-R57 HydrophobicContact CG-CG 4.45Å; M50-R57 HydrophobicContact SD-CG 3.53Å; M50-R57 VanDerWaalsContact SD-CG 3.53Å; M50-R57 PolarHBondContact SD-NE 3.31Å; M50-R57 VanDerWaalsContact SD-NE 3.39Å
51	P	76	Confident	77.5	Confident	78 Å²	78	102.8 Å²	102.8	51%	0.506	52%	0.516	S	S	.	.			trans	-57.4	137.2	166.2	-9	19.6	0	0	0	109.8	E53 Q54	P51-E53 VanDerWaalsContact C-N 3.27Å; P51-E53 PolarHBondContact O-N 3.46Å; P51-Q54 HydrophobicContact CB-CB 4.06Å; P51-Q54 HydrophobicContact CG-CB 3.98Å; P51-Q54 WeakPolarHBondContact O-CB 3.42Å; P51-Q54 PolarHBondContact O-N 3.48Å
52	K	74	Confident	76	Confident	158 Å²	158	104.8 Å²	104.8	69%	0.687	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-39.8	-172.4	-69	-176.5	177.7	-178	0	113.3	A8 G9 M50 Q54	A8-K52 PolarHBondContact N-O 3.1Å; A8-K52 VanDerWaalsContact N-O 3.13Å; G9-K52 PolarHBondContact N-O 3.39Å; M50-K52 PolarHBondContact O-N 3.2Å; K52-Q54 VanDerWaalsContact C-N 3.31Å
53	E	72.5	Confident	74.3	Confident	168 Å²	168	100.7 Å²	100.7	79%	0.785	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-11	-178.2	-58.1	-178.5	148.2	0	0	112.8	P51 C55	P51-E53 VanDerWaalsContact C-N 3.27Å; P51-E53 PolarHBondContact O-N 3.46Å; E53-C55 PolarHBondContact O-N 3.18Å
54	Q	71.2	Confident	72.9	Confident	68 Å²	68	100.1 Å²	100.1	32%	0.318	53%	0.532	S	S	.	.			trans	-81.2	114.3	-176	-164.9	174.6	31.8	0	0	111.1	M50 P51 K52 A56	M50-Q54 HydrophobicContact CE-CB 4.32Å; M50-Q54 HydrophobicContact CE-CG 4.13Å; P51-Q54 HydrophobicContact CB-CB 4.06Å; P51-Q54 HydrophobicContact CG-CB 3.98Å; P51-Q54 WeakPolarHBondContact O-CB 3.42Å; P51-Q54 PolarHBondContact O-N 3.48Å; K52-Q54 VanDerWaalsContact C-N 3.31Å; Q54-A56 VanDerWaalsContact CD-O 3.28Å; Q54-A56 WeakPolarHBondContact CG-O 3.18Å; Q54-A56 PolarHBondContact NE2-O 3.21Å
55	C	69.3	Low	71.6	Confident	55 Å²	55	102.6 Å²	102.6	37%	0.372	55%	0.551	S	S	.	*			trans	-79.4	-22.5	179.2	-71.6	0	0	0	0	114.1	E53	E53-C55 PolarHBondContact O-N 3.18Å
56	A	68.3	Low	70.4	Confident	46 Å²	46	104.7 Å²	104.7	38%	0.38	56%	0.561	S	S	.	*	S	Bend	trans	-145.5	145.6	-173.4	0	0	0	0	0	112	Q54 R58	Q54-A56 VanDerWaalsContact CD-O 3.28Å; Q54-A56 WeakPolarHBondContact CG-O 3.18Å; Q54-A56 PolarHBondContact NE2-O 3.21Å; A56-R58 HydrophobicContact CB-CG 4.19Å; A56-R58 PolarHBondContact O-N 3.4Å
57	R	65.7	Low	69.1	Low	153 Å²	153	109.4 Å²	109.4	58%	0.577	58%	0.581	S	S	*	*			trans	-77.7	50.9	175.4	-62.2	-177.1	-175.3	175.3	5.5	111.9	A46 M50 S59	A46-R57 PolarHBondContact O-NH2 3.43Å; M50-R57 HydrophobicContact CE-CB 4.47Å; M50-R57 HydrophobicContact CE-CG 3.51Å; M50-R57 HydrophobicContact CG-CG 4.45Å; M50-R57 HydrophobicContact SD-CG 3.53Å; M50-R57 VanDerWaalsContact SD-CG 3.53Å; M50-R57 PolarHBondContact SD-NE 3.31Å; M50-R57 VanDerWaalsContact SD-NE 3.39Å; R57-S59 PolarHBondContact O-N 2.86Å
58	R	67.8	Low	67.9	Low	212 Å²	212	116.6 Å²	116.6	80%	0.8	61%	0.614	S	S	*	*			trans	-87.4	102.2	172.4	-67.7	-167.9	178.9	-159.8	0.2	107.3	A56	A56-R58 HydrophobicContact CB-CG 4.19Å; A56-R58 PolarHBondContact O-N 3.4Å
59	S	60.9	Low	66.9	Low	130 Å²	130	117.8 Å²	117.8	91%	0.909	63%	0.626	S	S	*	*			trans	-87.7	107.4	153.6	173.9	0	0	0	0	105.1	R57	R57-S59 PolarHBondContact O-N 2.86Å
60	G	58.2	Low	65.6	Low	62 Å²	62	114 Å²	114	64%	0.639	62%	0.616	S	S	*	*			trans	-169.7	85.9	-177.9	0	0	0	0	0	110.2	D62	G60-D62 VanDerWaalsContact C-N 3.34Å; G60-D62 PolarHBondContact O-N 2.83Å
61	I	60	Low	64.7	Low	163 Å²	163	120.1 Å²	120.1	84%	0.836	65%	0.649	S	S	*	*			trans	-63.7	111	140.7	-78.3	167.2	0	0	0	103.6	S63	I61-S63 PolarHBondContact O-N 3.27Å
62	D	60.1	Low	63.8	Low	142 Å²	142	120.5 Å²	120.5	76%	0.759	66%	0.659	S	S	*	*			trans	-70.9	69.5	168	-171	23.8	0	0	0	107.4	G60 C64	G60-D62 VanDerWaalsContact C-N 3.34Å; G60-D62 PolarHBondContact O-N 2.83Å; D62-C64 PolarHBondContact O-N 3.35Å; D62-C64 PolarHBondContact OD1-SG 3.25Å
63	S	58.7	Low	62.7	Low	81 Å²	81	125.1 Å²	125.1	57%	0.566	68%	0.683	S	S	*	*			trans	-85.9	96	164.4	-160.1	0	0	0	0	104.2	I61 P65	I61-S63 PolarHBondContact O-N 3.27Å; S63-P65 WeakPolarHBondContact O-CD 2.89Å
64	C	61.8	Low	62.3	Low	82 Å²	82	123 Å²	123	55%	0.554	68%	0.678	S	S	*	*			trans	-90.6	71.2	156	-71.9	0	0	0	0	107.4	D62 E66 L67	D62-C64 PolarHBondContact O-N 3.35Å; D62-C64 PolarHBondContact OD1-SG 3.25Å; C64-E66 PolarHBondContact O-N 3.44Å; C64-L67 PolarHBondContact O-N 3.07Å
65	P	62.3	Low	61.8	Low	82 Å²	82	125.8 Å²	125.8	53%	0.532	70%	0.696	S	S	.	*	G	3₁₀ helix	trans	-64.5	-16	-174.2	30.7	-37.7	0	0	0	112.7	S63 L67 E68	S63-P65 WeakPolarHBondContact O-CD 2.89Å; P65-L67 PolarHBondContact O-N 3.16Å; P65-E68 PolarHBondContact O-N 3.2Å; P65-E68 VanDerWaalsContact O-N 3.16Å
66	E	63.7	Low	61.4	Low	171 Å²	171	129.8 Å²	129.8	80%	0.799	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-62.1	-26	-177.3	-164	160.5	92.5	0	0	113.2	C64	C64-E66 PolarHBondContact O-N 3.44Å
67	L	59.6	Low	61	Low	129 Å²	129	134.7 Å²	134.7	68%	0.675	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-76.4	-30.1	176.4	-92.9	161.5	0	0	0	113.7	C64 P65 N69 S70	C64-L67 PolarHBondContact O-N 3.07Å; P65-L67 PolarHBondContact O-N 3.16Å; L67-N69 VanDerWaalsContact C-N 3.29Å; L67-N69 PolarHBondContact O-N 3.31Å; L67-S70 PolarHBondContact O-N 3.39Å
68	E	61.6	Low	60.7	Low	157 Å²	157	133.6 Å²	133.6	73%	0.734	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-66	-34.8	-177.2	-155.4	86.6	-156.7	0	0	111.2	P65 S70 L71	P65-E68 PolarHBondContact O-N 3.2Å; P65-E68 VanDerWaalsContact O-N 3.16Å; E68-S70 VanDerWaalsContact C-N 3.28Å; E68-S70 PolarHBondContact O-N 3.49Å; E68-L71 PolarHBondContact O-N 3.33Å
69	N	64.5	Low	60.2	Low	134 Å²	134	128.3 Å²	128.3	72%	0.717	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-71.9	-18.7	-178.4	-72.8	-10.7	0	0	0	113.8	L67	L67-N69 VanDerWaalsContact C-N 3.29Å; L67-N69 PolarHBondContact O-N 3.31Å
70	S	61	Low	60.1	Low	94 Å²	94	128.2 Å²	128.2	66%	0.657	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-87.6	-8.5	-177.9	-53.4	0	0	0	0	113.7	L67 E68	L67-S70 PolarHBondContact O-N 3.39Å; E68-S70 VanDerWaalsContact C-N 3.28Å; E68-S70 PolarHBondContact O-N 3.49Å
71	L	60.7	Low	60.3	Low	158 Å²	158	133.3 Å²	133.3	83%	0.827	74%	0.735	S	S	*	*	S	Bend	trans	-103.3	2.2	179.3	-80.5	173	0	0	0	113.5	E68	E68-L71 PolarHBondContact O-N 3.33Å
72	A	57.8	Low	60.3	Low	86 Å²	86	130.8 Å²	130.8	71%	0.711	73%	0.727	S	S	*	*			trans	-99.3	8.9	-175	0	0	0	0	0	115
73	E	52	Low	60.3	Low	254 Å²	254	129.8 Å²	129.8	100%	1.187	72%	0.724	S	S	*	*			trans	-114.5	0	170.7	-69.3	-171.5	113.2	0	0	111.3

Retrieved 73 of 73 residues in 383 ms (Link to these results)

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