A0A077Z4U4_TRITR Loading...

BrkDBD domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4U4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 66 aa.

						>A0A077Z4U4_TRITR|A0A077Z4U4
MTRRSYKGGFKLEVVKIAKESNNAQAAKKYGVTLKVVIDWMSKEEALEKMPKKNAQDAQAPPHGRN
					

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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	47.6	Very low	74	Confident	247 Å²	247	124.6 Å²	124.6	100%	1.217	64%	0.636	S	S	*	*				0	112.7	0	-83.4	169.2	174.7	0	0	108.9	R3	M1-R3 PolarHBondContact O-N 2.97Å
2	T	54.6	Low	75.2	Confident	142 Å²	142	119.3 Å²	119.3	87%	0.871	61%	0.609	S	S	*	*			trans	-67.2	115.9	175.4	-16	0	0	0	0	108.3	R4	T2-R4 PolarHBondContact O-N 3.35Å
3	R	62	Low	76.5	Confident	229 Å²	229	116.8 Å²	116.8	86%	0.864	59%	0.594	S	S	*	*			trans	-66.4	106.6	174.6	-164.8	-178.7	-167.1	-168.8	5.1	107.1	M1 S5	M1-R3 PolarHBondContact O-N 2.97Å; R3-S5 PolarHBondContact O-N 3.06Å
4	R	67.6	Low	77.6	Confident	177 Å²	177	108.4 Å²	108.4	67%	0.668	55%	0.551	S	S	*	*			trans	-58.5	115.8	172.5	-74.2	-177.9	178.1	-179.7	0.8	107.6	T2 Y6	T2-R4 PolarHBondContact O-N 3.35Å; R4-Y6 HydrophobicContact CB-CD2 4.15Å; R4-Y6 HydrophobicContact CB-CE1 4.37Å; R4-Y6 HydrophobicContact CB-CE2 3.48Å; R4-Y6 VanDerWaalsContact CB-CE2 3.48Å; R4-Y6 WeakPolarHBondContact CD-OH 3.28Å; R4-Y6 WeakPolarHBondContact O-CD2 3.44Å; R4-Y6 WeakPolarHBondContact O-CE2 3.45Å; R4-Y6 PolarHBondContact O-N 3.39Å
5	S	72.5	Confident	78.6	Confident	119 Å²	119	101.5 Å²	101.5	83%	0.832	52%	0.516	S	S	*	.			trans	-83.7	103.7	176.9	-70.8	0	0	0	0	108.3	R3	R3-S5 PolarHBondContact O-N 3.06Å
6	Y	82.2	Confident	79.4	Confident	56 Å²	56	102.6 Å²	102.6	22%	0.22	52%	0.516	C	S	.	.			trans	-91.4	131.8	175.1	-59.1	-84.6	0	0	0	109.7	R4 F10 K11 V32 V36 W40	R4-Y6 HydrophobicContact CB-CD2 4.15Å; R4-Y6 HydrophobicContact CB-CE1 4.37Å; R4-Y6 HydrophobicContact CB-CE2 3.48Å; R4-Y6 VanDerWaalsContact CB-CE2 3.48Å; R4-Y6 WeakPolarHBondContact CD-OH 3.28Å; R4-Y6 WeakPolarHBondContact O-CD2 3.44Å; R4-Y6 WeakPolarHBondContact O-CE2 3.45Å; R4-Y6 PolarHBondContact O-N 3.39Å; Y6-F10 AromaticContact CD1-CD1 3.61Å; Y6-F10 HydrophobicContact CD1-CD1 3.61Å; Y6-F10 AromaticContact CD1-CE1 3.45Å; Y6-F10 HydrophobicContact CD1-CE1 3.45Å; Y6-F10 VanDerWaalsContact CD1-CE1 3.45Å; Y6-F10 HydrophobicContact CD1-CZ 4.45Å; Y6-F10 HydrophobicContact CE1-CD1 4.48Å; Y6-F10 AromaticContact CE1-CE1 3.88Å; Y6-F10 HydrophobicContact CE1-CE1 3.88Å; Y6-F10 HydrophobicContact CG-CD1 4.2Å; Y6-F10 HydrophobicContact CG-CE1 4.36Å; Y6-K11 VanDerWaalsContact O-CE 3.25Å; Y6-K11 WeakPolarHBondContact O-CE 3.39Å; Y6-V32 HydrophobicContact CE1-CG1 3.86Å; Y6-V36 HydrophobicContact CE2-CG1 4.44Å; Y6-W40 AromaticContact CD1-CH2 3.96Å; Y6-W40 HydrophobicContact CD1-CH2 3.96Å; Y6-W40 HydrophobicContact CD1-CZ2 4.3Å; Y6-W40 AromaticContact CD2-CH2 3.88Å; Y6-W40 HydrophobicContact CD2-CH2 3.88Å; Y6-W40 AromaticContact CD2-CZ2 3.42Å; Y6-W40 HydrophobicContact CD2-CZ2 3.42Å; Y6-W40 VanDerWaalsContact CD2-CZ2 3.42Å; Y6-W40 HydrophobicContact CE1-CH2 4.28Å; Y6-W40 HydrophobicContact CE2-CH2 4.16Å; Y6-W40 AromaticContact CE2-CZ2 3.92Å; Y6-W40 HydrophobicContact CE2-CZ2 3.92Å; Y6-W40 AromaticContact CG-CH2 3.73Å; Y6-W40 HydrophobicContact CG-CH2 3.73Å; Y6-W40 AromaticContact CG-CZ2 3.6Å; Y6-W40 HydrophobicContact CG-CZ2 3.6Å
7	K	83	Confident	80.2	Confident	177 Å²	177	98 Å²	98	77%	0.77	49%	0.493	S	S	*	.			trans	-62.1	146.5	173.9	-69.8	-174.1	178.9	-179.2	0	110.2	G9 F10 K11	K7-G9 VanDerWaalsContact C-N 3.31Å; K7-G9 PolarHBondContact O-N 3.28Å; K7-F10 WeakPolarHBondContact O-CB 3.46Å; K7-F10 PolarHBondContact O-N 2.86Å; K7-K11 PolarHBondContact O-N 3.06Å
8	G	80.5	Confident	80.8	Confident	41 Å²	41	92.7 Å²	92.7	42%	0.423	47%	0.467	S	S	.	.	H	α-helix	trans	-54.5	-44	-179.7	0	0	0	0	0	113.3	F10 K11 L12	G8-F10 VanDerWaalsContact C-N 3.31Å; G8-F10 PolarHBondContact O-N 3.33Å; G8-K11 WeakPolarHBondContact O-CB 3.33Å; G8-K11 PolarHBondContact O-N 3.47Å; G8-K11 VanDerWaalsContact O-N 3.14Å; G8-L12 PolarHBondContact O-N 3.02Å; G8-L12 VanDerWaalsContact O-N 3.09Å
9	G	85.4	Confident	81.3	Confident	56 Å²	56	94.3 Å²	94.3	58%	0.577	47%	0.471	S	S	*	.	H	α-helix	trans	-60	-37.5	176.4	0	0	0	0	0	113.7	K7 L12 E13	K7-G9 VanDerWaalsContact C-N 3.31Å; K7-G9 PolarHBondContact O-N 3.28Å; G9-L12 PolarHBondContact O-N 3.44Å; G9-E13 PolarHBondContact O-N 3.11Å; G9-E13 VanDerWaalsContact O-N 3.1Å
10	F	88.7	Confident	81.9	Confident	70 Å²	70	96.4 Å²	96.4	31%	0.307	48%	0.479	S	S	.	.	H	α-helix	trans	-65.9	-40.6	175.8	179.2	-95.9	0	0	0	111.9	Y6 K7 G8 L12 E13 V14 Y30 V32 W40	Y6-F10 AromaticContact CD1-CD1 3.61Å; Y6-F10 HydrophobicContact CD1-CD1 3.61Å; Y6-F10 AromaticContact CD1-CE1 3.45Å; Y6-F10 HydrophobicContact CD1-CE1 3.45Å; Y6-F10 VanDerWaalsContact CD1-CE1 3.45Å; Y6-F10 HydrophobicContact CD1-CZ 4.45Å; Y6-F10 HydrophobicContact CE1-CD1 4.48Å; Y6-F10 AromaticContact CE1-CE1 3.88Å; Y6-F10 HydrophobicContact CE1-CE1 3.88Å; Y6-F10 HydrophobicContact CG-CD1 4.2Å; Y6-F10 HydrophobicContact CG-CE1 4.36Å; K7-F10 WeakPolarHBondContact O-CB 3.46Å; K7-F10 PolarHBondContact O-N 2.86Å; G8-F10 VanDerWaalsContact C-N 3.31Å; G8-F10 PolarHBondContact O-N 3.33Å; F10-L12 PolarHBondContact O-N 2.95Å; F10-E13 PolarHBondContact O-N 3.38Å; F10-V14 HydrophobicContact CD1-CG2 4.09Å; F10-V14 HydrophobicContact CE1-CG2 3.75Å; F10-V14 HydrophobicContact CE2-CG2 4.45Å; F10-V14 HydrophobicContact CZ-CG2 3.96Å; F10-V14 WeakPolarHBondContact O-CG2 3.28Å; F10-V14 PolarHBondContact O-N 2.93Å; F10-V14 VanDerWaalsContact O-N 3.07Å; F10-Y30 AromaticContact CE2-CD1 3.7Å; F10-Y30 HydrophobicContact CE2-CD1 3.7Å; F10-Y30 HydrophobicContact CE2-CE1 4.33Å; F10-Y30 HydrophobicContact CE2-CG 4.45Å; F10-Y30 AromaticContact CZ-CD1 3.91Å; F10-Y30 HydrophobicContact CZ-CD1 3.91Å; F10-Y30 HydrophobicContact CZ-CG 4.22Å; F10-V32 HydrophobicContact CE1-CG1 4.12Å; F10-V32 HydrophobicContact CZ-CG1 4.39Å; F10-W40 HydrophobicContact CD1-CH2 4.1Å; F10-W40 HydrophobicContact CD1-CZ3 4.4Å; F10-W40 AromaticContact CE1-CH2 3.92Å; F10-W40 HydrophobicContact CE1-CH2 3.92Å; F10-W40 HydrophobicContact CE1-CZ3 4.18Å
11	K	89.6	Confident	82.3	Confident	57 Å²	57	94.5 Å²	94.5	25%	0.248	48%	0.475	C	S	.	.	H	α-helix	trans	-62.5	-43.8	177.6	-59.3	-178.9	-178.6	171.2	0	111.4	Y6 K7 G8 E13 V14 V15 W40 L47	Y6-K11 VanDerWaalsContact O-CE 3.25Å; Y6-K11 WeakPolarHBondContact O-CE 3.39Å; K7-K11 PolarHBondContact O-N 3.06Å; G8-K11 WeakPolarHBondContact O-CB 3.33Å; G8-K11 PolarHBondContact O-N 3.47Å; G8-K11 VanDerWaalsContact O-N 3.14Å; K11-E13 VanDerWaalsContact C-N 3.35Å; K11-V14 PolarHBondContact O-N 3.37Å; K11-V15 VanDerWaalsContact O-CG2 3.27Å; K11-V15 WeakPolarHBondContact O-CG2 3.34Å; K11-V15 PolarHBondContact O-N 3.44Å; K11-W40 HydrophobicContact CB-CD2 3.94Å; K11-W40 HydrophobicContact CB-CE3 4.23Å; K11-W40 HydrophobicContact CB-CG 4.19Å; K11-W40 HydrophobicContact CD-CD2 4.33Å; K11-W40 HydrophobicContact CD-CG 4.37Å; K11-W40 HydrophobicContact CD-CZ2 4.32Å; K11-W40 HydrophobicContact CG-CD2 3.87Å; K11-W40 HydrophobicContact CG-CE3 4.35Å; K11-W40 HydrophobicContact CG-CG 4.32Å; K11-W40 HydrophobicContact CG-CH2 4.26Å; K11-W40 HydrophobicContact CG-CZ2 3.78Å; K11-L47 HydrophobicContact CB-CD1 4.1Å; K11-L47 HydrophobicContact CD-CD2 4.1Å
12	L	89.2	Confident	84.4	Confident	60 Å²	60	86.4 Å²	86.4	31%	0.314	44%	0.437	S	S	.	.	H	α-helix	trans	-62.3	-41.9	178	-73.8	173.6	0	0	0	111.8	G8 G9 F10 V14 V15 K16 L47 E48	G8-L12 PolarHBondContact O-N 3.02Å; G8-L12 VanDerWaalsContact O-N 3.09Å; G9-L12 PolarHBondContact O-N 3.44Å; F10-L12 PolarHBondContact O-N 2.95Å; L12-V14 PolarHBondContact O-N 3.28Å; L12-V15 PolarHBondContact O-N 2.93Å; L12-K16 WeakPolarHBondContact O-CB 3.24Å; L12-K16 PolarHBondContact O-N 3.39Å; L12-L47 HydrophobicContact CD2-CB 3.67Å; L12-L47 HydrophobicContact CG-CB 4.39Å; L12-E48 HydrophobicContact CD2-CG 4.3Å
13	E	91.2	Very high	86.2	Confident	87 Å²	87	82 Å²	82	41%	0.407	41%	0.408	S	S	.	.	H	α-helix	trans	-62.9	-42	176.4	-170.4	70.1	83.5	0	0	111.9	G9 F10 K11 V15 K16 I17 Y30	G9-E13 PolarHBondContact O-N 3.11Å; G9-E13 VanDerWaalsContact O-N 3.1Å; F10-E13 PolarHBondContact O-N 3.38Å; K11-E13 VanDerWaalsContact C-N 3.35Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 2.76Å; E13-K16 PolarHBondContact O-N 3.03Å; E13-I17 WeakPolarHBondContact O-CG1 3.21Å; E13-I17 PolarHBondContact O-N 2.95Å; E13-I17 VanDerWaalsContact O-N 3.14Å; E13-Y30 HydrophobicContact CG-CE1 4.43Å; E13-Y30 WeakPolarHBondContact CG-OH 3.27Å
14	V	92.9	Very high	87.7	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.5	-42.8	176.7	177.5	0	0	0	0	111.1	F10 K11 L12 I17 A18 A26 Y30 V32 V37 W40	F10-V14 HydrophobicContact CD1-CG2 4.09Å; F10-V14 HydrophobicContact CE1-CG2 3.75Å; F10-V14 HydrophobicContact CE2-CG2 4.45Å; F10-V14 HydrophobicContact CZ-CG2 3.96Å; F10-V14 WeakPolarHBondContact O-CG2 3.28Å; F10-V14 PolarHBondContact O-N 2.93Å; F10-V14 VanDerWaalsContact O-N 3.07Å; K11-V14 PolarHBondContact O-N 3.37Å; L12-V14 PolarHBondContact O-N 3.28Å; V14-I17 PolarHBondContact O-N 3.48Å; V14-A18 WeakPolarHBondContact O-CB 3.33Å; V14-A18 PolarHBondContact O-N 2.86Å; V14-A26 HydrophobicContact CG1-CB 4.19Å; V14-Y30 HydrophobicContact CB-CD2 4Å; V14-Y30 HydrophobicContact CB-CE2 4.26Å; V14-Y30 HydrophobicContact CG1-CD2 3.99Å; V14-Y30 HydrophobicContact CG2-CD1 4.03Å; V14-Y30 HydrophobicContact CG2-CD2 3.47Å; V14-Y30 VanDerWaalsContact CG2-CD2 3.47Å; V14-Y30 HydrophobicContact CG2-CE1 4.45Å; V14-Y30 HydrophobicContact CG2-CE2 3.92Å; V14-Y30 HydrophobicContact CG2-CG 3.55Å; V14-V32 HydrophobicContact CG1-CG2 4.24Å; V14-V37 HydrophobicContact CG1-CG1 4.28Å; V14-V37 HydrophobicContact CG1-CG2 3.89Å; V14-W40 HydrophobicContact CB-CE3 3.84Å; V14-W40 HydrophobicContact CB-CZ3 3.73Å; V14-W40 HydrophobicContact CG1-CE3 3.82Å; V14-W40 HydrophobicContact CG1-CZ3 3.76Å; V14-W40 HydrophobicContact CG2-CE3 4.29Å; V14-W40 HydrophobicContact CG2-CZ3 3.68Å
15	V	91.5	Very high	89	Confident	4 Å²	4	70 Å²	70	2%	0.024	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-40.6	178.5	169.4	0	0	0	0	111.5	K11 L12 E13 I17 A18 K19 W40 M41 E44	K11-V15 VanDerWaalsContact O-CG2 3.27Å; K11-V15 WeakPolarHBondContact O-CG2 3.34Å; K11-V15 PolarHBondContact O-N 3.44Å; L12-V15 PolarHBondContact O-N 2.93Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 2.76Å; V15-I17 PolarHBondContact O-N 3.46Å; V15-A18 WeakPolarHBondContact O-CB 3.25Å; V15-A18 PolarHBondContact O-N 2.92Å; V15-A18 VanDerWaalsContact O-N 3.13Å; V15-K19 HydrophobicContact CG1-CD 4.47Å; V15-K19 PolarHBondContact O-N 2.81Å; V15-W40 HydrophobicContact CG2-CB 3.46Å; V15-W40 VanDerWaalsContact CG2-CB 3.46Å; V15-M41 HydrophobicContact CG1-CG 4.13Å; V15-M41 HydrophobicContact CG2-CG 4.12Å; V15-E44 HydrophobicContact CG1-CB 4.08Å; V15-E44 HydrophobicContact CG1-CG 3.68Å; V15-E44 WeakPolarHBondContact CG1-OE2 3.42Å
16	K	92.4	Very high	90	Very high	120 Å²	120	64.3 Å²	64.3	52%	0.522	34%	0.337	S	S	.	.	H	α-helix	trans	-57.5	-50.4	175.4	-171.3	-173.9	172.6	-172.1	0	111.5	L12 E13 A18 K19 E20	L12-K16 WeakPolarHBondContact O-CB 3.24Å; L12-K16 PolarHBondContact O-N 3.39Å; E13-K16 PolarHBondContact O-N 3.03Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 3.23Å; K16-K19 WeakPolarHBondContact O-CB 3.39Å; K16-K19 PolarHBondContact O-N 3.37Å; K16-E20 WeakPolarHBondContact O-CG 3.47Å; K16-E20 PolarHBondContact O-N 3.13Å
17	I	91.9	Very high	90.6	Very high	24 Å²	24	62 Å²	62	12%	0.123	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-35.3	175.8	-61.1	-56.3	0	0	0	112	E13 V14 V15 K19 E20 S21 A26 K29 Y30	E13-I17 WeakPolarHBondContact O-CG1 3.21Å; E13-I17 PolarHBondContact O-N 2.95Å; E13-I17 VanDerWaalsContact O-N 3.14Å; V14-I17 PolarHBondContact O-N 3.48Å; V15-I17 PolarHBondContact O-N 3.46Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-E20 PolarHBondContact O-N 3.14Å; I17-S21 PolarHBondContact O-N 3.38Å; I17-A26 HydrophobicContact CB-CB 4.43Å; I17-A26 HydrophobicContact CG2-CB 4.16Å; I17-K29 HydrophobicContact CG2-CD 4.18Å; I17-Y30 HydrophobicContact CB-CE2 4.09Å; I17-Y30 HydrophobicContact CG1-CE2 3.82Å; I17-Y30 WeakPolarHBondContact CG1-OH 3.16Å; I17-Y30 HydrophobicContact CG2-CE2 4.48Å
18	A	92.3	Very high	91.2	Very high	3 Å²	3	62.5 Å²	62.5	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-38.4	177.6	0	0	0	0	0	112.1	V14 V15 K16 S21 N22 A26 V37 M41	V14-A18 WeakPolarHBondContact O-CB 3.33Å; V14-A18 PolarHBondContact O-N 2.86Å; V15-A18 WeakPolarHBondContact O-CB 3.25Å; V15-A18 PolarHBondContact O-N 2.92Å; V15-A18 VanDerWaalsContact O-N 3.13Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 3.23Å; A18-S21 CarbonylContact O-C 3.24Å; A18-N22 CarbonylContact O-C 3.47Å; A18-N22 VanDerWaalsContact O-CA 3.28Å; A18-N22 WeakPolarHBondContact O-CA 3.4Å; A18-N22 PolarHBondContact O-N 3.31Å; A18-A26 HydrophobicContact CB-CB 3.75Å; A18-V37 HydrophobicContact CB-CG1 3.75Å; A18-M41 HydrophobicContact CB-CE 4.38Å; A18-M41 HydrophobicContact CB-CG 4.33Å; A18-M41 HydrophobicContact CB-SD 3.59Å; A18-M41 VanDerWaalsContact CB-SD 3.59Å
19	K	90.3	Very high	91.8	Very high	123 Å²	123	67 Å²	67	54%	0.535	34%	0.34	S	S	.	.	H	α-helix	trans	-67.1	-41.3	173	-76.5	175.9	132	178.4	0	113	V15 K16 I17 S21 M41 E44	V15-K19 HydrophobicContact CG1-CD 4.47Å; V15-K19 PolarHBondContact O-N 2.81Å; K16-K19 WeakPolarHBondContact O-CB 3.39Å; K16-K19 PolarHBondContact O-N 3.37Å; I17-K19 VanDerWaalsContact C-N 3.34Å; K19-S21 VanDerWaalsContact C-N 3.29Å; K19-S21 PolarHBondContact O-N 3.47Å; K19-M41 HydrophobicContact CG-CE 4.44Å; K19-E44 WeakPolarHBondContact CD-OE2 3.45Å; K19-E44 WeakPolarHBondContact CE-OE1 3.42Å; K19-E44 WeakPolarHBondContact CE-OE2 3.32Å; K19-E44 IonicContact NZ-OE1 3.33Å; K19-E44 PolarHBondContact NZ-OE1 3.23Å; K19-E44 IonicContact NZ-OE2 2.61Å; K19-E44 PolarHBondContact NZ-OE2 3.43Å
20	E	92.6	Very high	92.1	Very high	135 Å²	135	67.4 Å²	67.4	63%	0.631	32%	0.324	S	S	*	.	H	α-helix	trans	-69.6	-26.7	-179.9	-71.9	178.7	88.3	0	0	113	K16 I17	K16-E20 WeakPolarHBondContact O-CG 3.47Å; K16-E20 PolarHBondContact O-N 3.13Å; I17-E20 PolarHBondContact O-N 3.14Å
21	S	90.4	Very high	92.2	Very high	57 Å²	57	66.7 Å²	66.7	40%	0.399	34%	0.337	S	S	.	.	S	Bend	trans	-132	-92.9	-178.6	-178.3	0	0	0	0	111.8	I17 A18 K19 Q25	I17-S21 PolarHBondContact O-N 3.38Å; A18-S21 CarbonylContact O-C 3.24Å; K19-S21 VanDerWaalsContact C-N 3.29Å; K19-S21 PolarHBondContact O-N 3.47Å; S21-Q25 PolarHBondContact OG-NE2 3.1Å; S21-Q25 PolarHBondContact OG-OE1 3.37Å
22	N	91.7	Very high	92.2	Very high	78 Å²	78	64.5 Å²	64.5	42%	0.417	33%	0.328	S	S	.	.			trans	-158.4	171	168.1	79.2	30.6	0	0	0	111	A18 A24 Q25 A26	A18-N22 CarbonylContact O-C 3.47Å; A18-N22 VanDerWaalsContact O-CA 3.28Å; A18-N22 WeakPolarHBondContact O-CA 3.4Å; A18-N22 PolarHBondContact O-N 3.31Å; N22-A24 VanDerWaalsContact C-N 3.33Å; N22-A24 PolarHBondContact O-N 2.99Å; N22-A24 WeakPolarHBondContact OD1-CA 3.14Å; N22-A24 WeakPolarHBondContact OD1-CB 3.43Å; N22-A24 PolarHBondContact OD1-N 2.94Å; N22-Q25 PolarHBondContact O-N 3.48Å; N22-Q25 PolarHBondContact OD1-N 2.92Å; N22-A26 PolarHBondContact O-N 3.3Å; N22-A26 VanDerWaalsContact O-N 3.11Å
23	N	92	Very high	92.4	Very high	49 Å²	49	65.9 Å²	65.9	26%	0.262	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-36.3	-176.2	-50.2	-0.7	0	0	0	112.6	A27 L34 V37 M41	N23-A27 VanDerWaalsContact O-CB 3.25Å; N23-A27 WeakPolarHBondContact O-CB 3.4Å; N23-A27 PolarHBondContact O-N 3.5Å; N23-L34 VanDerWaalsContact C-CD2 3.48Å; N23-L34 HydrophobicContact CB-CD2 3.91Å; N23-V37 HydrophobicContact CB-CB 4.49Å; N23-V37 HydrophobicContact CB-CG1 3.95Å; N23-M41 HydrophobicContact CB-SD 4.47Å; N23-M41 PolarHBondContact OD1-SD 3.09Å
24	A	93.9	Very high	92.5	Very high	47 Å²	47	65.8 Å²	65.8	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-70.9	-39.6	-178.7	0	0	0	0	0	112.2	N22 A27 K28 L34	N22-A24 VanDerWaalsContact C-N 3.33Å; N22-A24 PolarHBondContact O-N 2.99Å; N22-A24 WeakPolarHBondContact OD1-CA 3.14Å; N22-A24 WeakPolarHBondContact OD1-CB 3.43Å; N22-A24 PolarHBondContact OD1-N 2.94Å; A24-A27 PolarHBondContact O-N 3.07Å; A24-K28 WeakPolarHBondContact O-CB 3.21Å; A24-K28 PolarHBondContact O-N 3.35Å; A24-L34 HydrophobicContact CB-CD1 4.43Å; A24-L34 HydrophobicContact CB-CD2 3.84Å; A24-L34 HydrophobicContact CB-CG 4.49Å
25	Q	94.5	Very high	92.4	Very high	106 Å²	106	74 Å²	74	50%	0.495	38%	0.377	S	S	.	.	H	α-helix	trans	-67.9	-43.4	176.1	-172.2	170.3	-70.8	0	0	110.5	S21 N22 K28 K29	S21-Q25 PolarHBondContact OG-NE2 3.1Å; S21-Q25 PolarHBondContact OG-OE1 3.37Å; N22-Q25 PolarHBondContact O-N 3.48Å; N22-Q25 PolarHBondContact OD1-N 2.92Å; Q25-K28 PolarHBondContact O-N 3.2Å; Q25-K29 VanDerWaalsContact O-CB 3.28Å; Q25-K29 WeakPolarHBondContact O-CB 3.41Å; Q25-K29 PolarHBondContact O-N 3.17Å
26	A	94.2	Very high	92.4	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-45.2	173.9	0	0	0	0	0	111.7	V14 I17 A18 N22 K28 K29 Y30 V37	V14-A26 HydrophobicContact CG1-CB 4.19Å; I17-A26 HydrophobicContact CB-CB 4.43Å; I17-A26 HydrophobicContact CG2-CB 4.16Å; A18-A26 HydrophobicContact CB-CB 3.75Å; N22-A26 PolarHBondContact O-N 3.3Å; N22-A26 VanDerWaalsContact O-N 3.11Å; A26-K28 PolarHBondContact O-N 3.43Å; A26-K29 PolarHBondContact O-N 3.19Å; A26-Y30 WeakPolarHBondContact O-CD2 3.38Å; A26-Y30 PolarHBondContact O-N 3.14Å; A26-V37 HydrophobicContact CB-CG1 4.3Å
27	A	94.2	Very high	92.4	Very high	7 Å²	7	69.9 Å²	69.9	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-56.1	-49.1	175	0	0	0	0	0	112	N23 A24 G31 V32 L34 V37	N23-A27 VanDerWaalsContact O-CB 3.25Å; N23-A27 WeakPolarHBondContact O-CB 3.4Å; N23-A27 PolarHBondContact O-N 3.5Å; A24-A27 PolarHBondContact O-N 3.07Å; A27-G31 WeakPolarHBondContact O-CA 3.49Å; A27-G31 PolarHBondContact O-N 2.53Å; A27-V32 CarbonylContact C-O 3.54Å; A27-V32 WeakPolarHBondContact CA-O 3.49Å; A27-V32 VanDerWaalsContact CB-O 3.24Å; A27-V32 WeakPolarHBondContact CB-O 3.32Å; A27-V32 PolarHBondContact O-N 3.05Å; A27-V32 VanDerWaalsContact O-O 3.13Å; A27-L34 HydrophobicContact CB-CD2 4.24Å; A27-L34 HydrophobicContact CB-CG 4.23Å; A27-V37 HydrophobicContact CB-CG2 3.86Å
28	K	94.8	Very high	92.4	Very high	189 Å²	189	72.6 Å²	72.6	82%	0.822	38%	0.376	S	S	*	.	H	α-helix	trans	-63.4	-42.2	178	-171.9	177.4	179.2	179.9	0	112.3	A24 Q25 A26	A24-K28 WeakPolarHBondContact O-CB 3.21Å; A24-K28 PolarHBondContact O-N 3.35Å; Q25-K28 PolarHBondContact O-N 3.2Å; A26-K28 PolarHBondContact O-N 3.43Å
29	K	93.3	Very high	92.4	Very high	136 Å²	136	75.8 Å²	75.8	59%	0.591	39%	0.392	S	S	*	.	H	α-helix	trans	-65.9	-41	-178.2	-171.9	175.3	-176.1	175.9	0	112.6	I17 Q25 A26	I17-K29 HydrophobicContact CG2-CD 4.18Å; Q25-K29 VanDerWaalsContact O-CB 3.28Å; Q25-K29 WeakPolarHBondContact O-CB 3.41Å; Q25-K29 PolarHBondContact O-N 3.17Å; A26-K29 PolarHBondContact O-N 3.19Å
30	Y	91.7	Very high	92.5	Very high	63 Å²	63	70.5 Å²	70.5	25%	0.247	37%	0.369	C	S	.	.	H	α-helix	trans	-97.4	-2.4	-176.8	-70.3	-71.8	0	0	0	114.3	F10 E13 V14 I17 A26 V32	F10-Y30 AromaticContact CE2-CD1 3.7Å; F10-Y30 HydrophobicContact CE2-CD1 3.7Å; F10-Y30 HydrophobicContact CE2-CE1 4.33Å; F10-Y30 HydrophobicContact CE2-CG 4.45Å; F10-Y30 AromaticContact CZ-CD1 3.91Å; F10-Y30 HydrophobicContact CZ-CD1 3.91Å; F10-Y30 HydrophobicContact CZ-CG 4.22Å; E13-Y30 HydrophobicContact CG-CE1 4.43Å; E13-Y30 WeakPolarHBondContact CG-OH 3.27Å; V14-Y30 HydrophobicContact CB-CD2 4Å; V14-Y30 HydrophobicContact CB-CE2 4.26Å; V14-Y30 HydrophobicContact CG1-CD2 3.99Å; V14-Y30 HydrophobicContact CG2-CD1 4.03Å; V14-Y30 HydrophobicContact CG2-CD2 3.47Å; V14-Y30 VanDerWaalsContact CG2-CD2 3.47Å; V14-Y30 HydrophobicContact CG2-CE1 4.45Å; V14-Y30 HydrophobicContact CG2-CE2 3.92Å; V14-Y30 HydrophobicContact CG2-CG 3.55Å; I17-Y30 HydrophobicContact CB-CE2 4.09Å; I17-Y30 HydrophobicContact CG1-CE2 3.82Å; I17-Y30 WeakPolarHBondContact CG1-OH 3.16Å; I17-Y30 HydrophobicContact CG2-CE2 4.48Å; A26-Y30 WeakPolarHBondContact O-CD2 3.38Å; A26-Y30 PolarHBondContact O-N 3.14Å; Y30-V32 VanDerWaalsContact C-N 3.26Å; Y30-V32 PolarHBondContact O-N 3.18Å
31	G	91.1	Very high	92.3	Very high	55 Å²	55	66.6 Å²	66.6	57%	0.567	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	30.1	-177.2	0	0	0	0	0	113.4	A27	A27-G31 WeakPolarHBondContact O-CA 3.49Å; A27-G31 PolarHBondContact O-N 2.53Å
32	V	91.1	Very high	92.2	Very high	11 Å²	11	68.6 Å²	68.6	7%	0.067	37%	0.365	C	S	.	.			trans	-106.4	160.5	175.2	-60.9	0	0	0	0	110.1	Y6 F10 V14 A27 Y30 V36 V37 W40	Y6-V32 HydrophobicContact CE1-CG1 3.86Å; F10-V32 HydrophobicContact CE1-CG1 4.12Å; F10-V32 HydrophobicContact CZ-CG1 4.39Å; V14-V32 HydrophobicContact CG1-CG2 4.24Å; A27-V32 CarbonylContact C-O 3.54Å; A27-V32 WeakPolarHBondContact CA-O 3.49Å; A27-V32 VanDerWaalsContact CB-O 3.24Å; A27-V32 WeakPolarHBondContact CB-O 3.32Å; A27-V32 PolarHBondContact O-N 3.05Å; A27-V32 VanDerWaalsContact O-O 3.13Å; Y30-V32 VanDerWaalsContact C-N 3.26Å; Y30-V32 PolarHBondContact O-N 3.18Å; V32-V36 HydrophobicContact CB-CG1 4.44Å; V32-V37 HydrophobicContact CG2-CG2 3.54Å; V32-W40 HydrophobicContact CG1-CH2 4.1Å; V32-W40 HydrophobicContact CG1-CZ3 4.36Å; V32-W40 HydrophobicContact CG2-CZ3 4.31Å
33	T	92.3	Very high	91.8	Very high	89 Å²	89	69.4 Å²	69.4	55%	0.546	37%	0.365	S	S	.	.			trans	-80.7	149.9	178.8	57.3	0	0	0	0	111.3	K35 V36 V37	T33-K35 PolarHBondContact O-N 3.02Å; T33-V36 WeakPolarHBondContact O-CA 3.2Å; T33-V36 WeakPolarHBondContact O-CB 2.89Å; T33-V36 PolarHBondContact O-N 3.18Å; T33-V36 VanDerWaalsContact OG1-CG2 3.24Å; T33-V36 WeakPolarHBondContact OG1-CG2 2.93Å; T33-V37 PolarHBondContact O-N 3.2Å; T33-V37 VanDerWaalsContact O-N 3.17Å
34	L	92.7	Very high	91.4	Very high	85 Å²	85	68.3 Å²	68.3	45%	0.445	36%	0.358	S	S	.	.	H	α-helix	trans	-49.7	-43.7	174.8	-90.5	173.4	0	0	0	113	N23 A24 A27 V36 V37 I38	N23-L34 VanDerWaalsContact C-CD2 3.48Å; N23-L34 HydrophobicContact CB-CD2 3.91Å; A24-L34 HydrophobicContact CB-CD1 4.43Å; A24-L34 HydrophobicContact CB-CD2 3.84Å; A24-L34 HydrophobicContact CB-CG 4.49Å; A27-L34 HydrophobicContact CB-CD2 4.24Å; A27-L34 HydrophobicContact CB-CG 4.23Å; L34-V36 PolarHBondContact O-N 2.91Å; L34-V37 PolarHBondContact O-N 3.21Å; L34-V37 VanDerWaalsContact O-N 3.14Å; L34-I38 VanDerWaalsContact O-CG1 3.32Å; L34-I38 WeakPolarHBondContact O-CG1 3.11Å; L34-I38 PolarHBondContact O-N 3.06Å
35	K	92.6	Very high	90.5	Very high	173 Å²	173	72.1 Å²	72.1	75%	0.752	37%	0.368	S	S	*	.	H	α-helix	trans	-56.7	-38.3	177.2	-171.1	180	-176.9	-179.9	0	112.5	T33 D39	T33-K35 PolarHBondContact O-N 3.02Å; K35-D39 WeakPolarHBondContact O-CB 3.12Å; K35-D39 PolarHBondContact O-N 3.33Å
36	V	90.3	Very high	89.7	Confident	37 Å²	37	70 Å²	70	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-71.2	-40.3	178.9	170.2	0	0	0	0	111	Y6 V32 T33 L34 D39 W40	Y6-V36 HydrophobicContact CE2-CG1 4.44Å; V32-V36 HydrophobicContact CB-CG1 4.44Å; T33-V36 WeakPolarHBondContact O-CA 3.2Å; T33-V36 WeakPolarHBondContact O-CB 2.89Å; T33-V36 PolarHBondContact O-N 3.18Å; T33-V36 VanDerWaalsContact OG1-CG2 3.24Å; T33-V36 WeakPolarHBondContact OG1-CG2 2.93Å; L34-V36 PolarHBondContact O-N 2.91Å; V36-D39 PolarHBondContact O-N 2.88Å; V36-W40 HydrophobicContact CG1-CD2 3.84Å; V36-W40 HydrophobicContact CG1-CE3 4.04Å; V36-W40 HydrophobicContact CG1-CH2 3.37Å; V36-W40 HydrophobicContact CG1-CZ2 3.09Å; V36-W40 HydrophobicContact CG1-CZ3 3.82Å; V36-W40 VanDerWaalsContact O-CG 3.25Å; V36-W40 PolarHBondContact O-N 2.92Å
37	V	92.9	Very high	88.8	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-46.8	175.7	-176.7	0	0	0	0	110.9	V14 A18 N23 A26 A27 V32 T33 L34 D39 W40 M41	V14-V37 HydrophobicContact CG1-CG1 4.28Å; V14-V37 HydrophobicContact CG1-CG2 3.89Å; A18-V37 HydrophobicContact CB-CG1 3.75Å; N23-V37 HydrophobicContact CB-CB 4.49Å; N23-V37 HydrophobicContact CB-CG1 3.95Å; A26-V37 HydrophobicContact CB-CG1 4.3Å; A27-V37 HydrophobicContact CB-CG2 3.86Å; V32-V37 HydrophobicContact CG2-CG2 3.54Å; T33-V37 PolarHBondContact O-N 3.2Å; T33-V37 VanDerWaalsContact O-N 3.17Å; L34-V37 PolarHBondContact O-N 3.21Å; L34-V37 VanDerWaalsContact O-N 3.14Å; V37-D39 VanDerWaalsContact C-N 3.34Å; V37-D39 PolarHBondContact O-N 3.16Å; V37-W40 PolarHBondContact O-N 3.44Å; V37-W40 VanDerWaalsContact O-N 3.16Å; V37-M41 HydrophobicContact CG1-CG 4.45Å; V37-M41 HydrophobicContact CG1-SD 4.18Å; V37-M41 WeakPolarHBondContact O-CG 3.42Å; V37-M41 PolarHBondContact O-N 3.13Å
38	I	92.7	Very high	87.8	Confident	82 Å²	82	77 Å²	77	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-58.8	-46.8	177.4	-66.4	165.4	0	0	0	110.5	L34 W40 M41 S42	L34-I38 VanDerWaalsContact O-CG1 3.32Å; L34-I38 WeakPolarHBondContact O-CG1 3.11Å; L34-I38 PolarHBondContact O-N 3.06Å; I38-W40 VanDerWaalsContact C-N 3.28Å; I38-W40 PolarHBondContact O-N 3.14Å; I38-M41 PolarHBondContact O-N 2.89Å; I38-S42 PolarHBondContact O-N 3.34Å; I38-S42 PolarHBondContact O-OG 3.05Å; I38-S42 VanDerWaalsContact O-OG 3.13Å
39	D	91.7	Very high	86.6	Confident	69 Å²	69	75 Å²	75	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-58.2	-39.5	177.2	-174.9	-98.7	0	0	0	112.6	K35 V36 V37 K43	K35-D39 WeakPolarHBondContact O-CB 3.12Å; K35-D39 PolarHBondContact O-N 3.33Å; V36-D39 PolarHBondContact O-N 2.88Å; V37-D39 VanDerWaalsContact C-N 3.34Å; V37-D39 PolarHBondContact O-N 3.16Å; D39-K43 WeakPolarHBondContact O-CB 3.24Å; D39-K43 WeakPolarHBondContact O-CD 3.44Å; D39-K43 WeakPolarHBondContact O-CG 3.49Å; D39-K43 PolarHBondContact O-N 2.79Å; D39-K43 IonicContact OD1-NZ 3.18Å; D39-K43 PolarHBondContact OD1-NZ 2.8Å; D39-K43 IonicContact OD2-NZ 2.53Å; D39-K43 PolarHBondContact OD2-NZ 2.91Å
40	W	91.5	Very high	85.3	Confident	13 Å²	13	74 Å²	74	5%	0.049	39%	0.391	C	S	.	.	H	α-helix	trans	-72.1	-37.1	177.3	-64.3	-16	0	0	0	112.9	Y6 F10 K11 V14 V15 V32 V36 V37 I38 K43 E44 L47	Y6-W40 AromaticContact CD1-CH2 3.96Å; Y6-W40 HydrophobicContact CD1-CH2 3.96Å; Y6-W40 HydrophobicContact CD1-CZ2 4.3Å; Y6-W40 AromaticContact CD2-CH2 3.88Å; Y6-W40 HydrophobicContact CD2-CH2 3.88Å; Y6-W40 AromaticContact CD2-CZ2 3.42Å; Y6-W40 HydrophobicContact CD2-CZ2 3.42Å; Y6-W40 VanDerWaalsContact CD2-CZ2 3.42Å; Y6-W40 HydrophobicContact CE1-CH2 4.28Å; Y6-W40 HydrophobicContact CE2-CH2 4.16Å; Y6-W40 AromaticContact CE2-CZ2 3.92Å; Y6-W40 HydrophobicContact CE2-CZ2 3.92Å; Y6-W40 AromaticContact CG-CH2 3.73Å; Y6-W40 HydrophobicContact CG-CH2 3.73Å; Y6-W40 AromaticContact CG-CZ2 3.6Å; Y6-W40 HydrophobicContact CG-CZ2 3.6Å; F10-W40 HydrophobicContact CD1-CH2 4.1Å; F10-W40 HydrophobicContact CD1-CZ3 4.4Å; F10-W40 AromaticContact CE1-CH2 3.92Å; F10-W40 HydrophobicContact CE1-CH2 3.92Å; F10-W40 HydrophobicContact CE1-CZ3 4.18Å; K11-W40 HydrophobicContact CB-CD2 3.94Å; K11-W40 HydrophobicContact CB-CE3 4.23Å; K11-W40 HydrophobicContact CB-CG 4.19Å; K11-W40 HydrophobicContact CD-CD2 4.33Å; K11-W40 HydrophobicContact CD-CG 4.37Å; K11-W40 HydrophobicContact CD-CZ2 4.32Å; K11-W40 HydrophobicContact CG-CD2 3.87Å; K11-W40 HydrophobicContact CG-CE3 4.35Å; K11-W40 HydrophobicContact CG-CG 4.32Å; K11-W40 HydrophobicContact CG-CH2 4.26Å; K11-W40 HydrophobicContact CG-CZ2 3.78Å; V14-W40 HydrophobicContact CB-CE3 3.84Å; V14-W40 HydrophobicContact CB-CZ3 3.73Å; V14-W40 HydrophobicContact CG1-CE3 3.82Å; V14-W40 HydrophobicContact CG1-CZ3 3.76Å; V14-W40 HydrophobicContact CG2-CE3 4.29Å; V14-W40 HydrophobicContact CG2-CZ3 3.68Å; V15-W40 HydrophobicContact CG2-CB 3.46Å; V15-W40 VanDerWaalsContact CG2-CB 3.46Å; V32-W40 HydrophobicContact CG1-CH2 4.1Å; V32-W40 HydrophobicContact CG1-CZ3 4.36Å; V32-W40 HydrophobicContact CG2-CZ3 4.31Å; V36-W40 HydrophobicContact CG1-CD2 3.84Å; V36-W40 HydrophobicContact CG1-CE3 4.04Å; V36-W40 HydrophobicContact CG1-CH2 3.37Å; V36-W40 HydrophobicContact CG1-CZ2 3.09Å; V36-W40 HydrophobicContact CG1-CZ3 3.82Å; V36-W40 VanDerWaalsContact O-CG 3.25Å; V36-W40 PolarHBondContact O-N 2.92Å; V37-W40 PolarHBondContact O-N 3.44Å; V37-W40 VanDerWaalsContact O-N 3.16Å; I38-W40 VanDerWaalsContact C-N 3.28Å; I38-W40 PolarHBondContact O-N 3.14Å; W40-K43 CarbonylContact O-C 3.45Å; W40-K43 VanDerWaalsContact O-C 3.24Å; W40-K43 PolarHBondContact O-N 3.44Å; W40-E44 WeakPolarHBondContact O-CA 3.39Å; W40-E44 PolarHBondContact O-N 3.27Å; W40-L47 HydrophobicContact CB-CD1 4.25Å
41	M	88.3	Confident	83.7	Confident	53 Å²	53	75.7 Å²	75.7	26%	0.261	41%	0.41	S	S	.	.	H	α-helix	trans	-67.1	-42.9	175	-71.4	-178.3	73.3	0	0	112	V15 A18 K19 N23 V37 I38 K43 E44	V15-M41 HydrophobicContact CG1-CG 4.13Å; V15-M41 HydrophobicContact CG2-CG 4.12Å; A18-M41 HydrophobicContact CB-CE 4.38Å; A18-M41 HydrophobicContact CB-CG 4.33Å; A18-M41 HydrophobicContact CB-SD 3.59Å; A18-M41 VanDerWaalsContact CB-SD 3.59Å; K19-M41 HydrophobicContact CG-CE 4.44Å; N23-M41 HydrophobicContact CB-SD 4.47Å; N23-M41 PolarHBondContact OD1-SD 3.09Å; V37-M41 HydrophobicContact CG1-CG 4.45Å; V37-M41 HydrophobicContact CG1-SD 4.18Å; V37-M41 WeakPolarHBondContact O-CG 3.42Å; V37-M41 PolarHBondContact O-N 3.13Å; I38-M41 PolarHBondContact O-N 2.89Å; M41-K43 PolarHBondContact O-N 3.03Å; M41-E44 WeakPolarHBondContact O-CB 3.34Å; M41-E44 PolarHBondContact O-N 3.3Å
42	S	88.6	Confident	82	Confident	98 Å²	98	81.5 Å²	81.5	69%	0.685	42%	0.42	S	S	*	.	H	α-helix	trans	-63.5	-21.9	173.8	-57.5	0	0	0	0	112.8	I38	I38-S42 PolarHBondContact O-N 3.34Å; I38-S42 PolarHBondContact O-OG 3.05Å; I38-S42 VanDerWaalsContact O-OG 3.13Å
43	K	84.7	Confident	80.1	Confident	95 Å²	95	89.8 Å²	89.8	41%	0.413	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	11.9	175.9	-67.6	170.3	-171.2	154.8	0	112.4	D39 W40 M41 E45 A46 L47	D39-K43 WeakPolarHBondContact O-CB 3.24Å; D39-K43 WeakPolarHBondContact O-CD 3.44Å; D39-K43 WeakPolarHBondContact O-CG 3.49Å; D39-K43 PolarHBondContact O-N 2.79Å; D39-K43 IonicContact OD1-NZ 3.18Å; D39-K43 PolarHBondContact OD1-NZ 2.8Å; D39-K43 IonicContact OD2-NZ 2.53Å; D39-K43 PolarHBondContact OD2-NZ 2.91Å; W40-K43 CarbonylContact O-C 3.45Å; W40-K43 VanDerWaalsContact O-C 3.24Å; W40-K43 PolarHBondContact O-N 3.44Å; M41-K43 PolarHBondContact O-N 3.03Å; K43-E45 PolarHBondContact O-N 3.17Å; K43-A46 CarbonylContact O-C 3.49Å; K43-A46 WeakPolarHBondContact O-CA 3.48Å; K43-A46 WeakPolarHBondContact O-CB 3.25Å; K43-A46 PolarHBondContact O-N 3.41Å; K43-L47 WeakPolarHBondContact O-CG 3.47Å; K43-L47 PolarHBondContact O-N 3.03Å
44	E	81.6	Confident	78.2	Confident	26 Å²	26	91.8 Å²	91.8	12%	0.121	46%	0.462	C	S	.	.	H	α-helix	trans	-59.5	-49.2	-174.9	178.9	-169	103	0	0	110.7	V15 K19 W40 M41 A46 L47 E48	V15-E44 HydrophobicContact CG1-CB 4.08Å; V15-E44 HydrophobicContact CG1-CG 3.68Å; V15-E44 WeakPolarHBondContact CG1-OE2 3.42Å; K19-E44 WeakPolarHBondContact CD-OE2 3.45Å; K19-E44 WeakPolarHBondContact CE-OE1 3.42Å; K19-E44 WeakPolarHBondContact CE-OE2 3.32Å; K19-E44 IonicContact NZ-OE1 3.33Å; K19-E44 PolarHBondContact NZ-OE1 3.23Å; K19-E44 IonicContact NZ-OE2 2.61Å; K19-E44 PolarHBondContact NZ-OE2 3.43Å; W40-E44 WeakPolarHBondContact O-CA 3.39Å; W40-E44 PolarHBondContact O-N 3.27Å; M41-E44 WeakPolarHBondContact O-CB 3.34Å; M41-E44 PolarHBondContact O-N 3.3Å; E44-A46 PolarHBondContact O-N 3Å; E44-L47 CarbonylContact O-C 3.53Å; E44-L47 WeakPolarHBondContact O-CA 3.4Å; E44-L47 WeakPolarHBondContact O-CB 3.44Å; E44-L47 PolarHBondContact O-N 3.2Å; E44-E48 HydrophobicContact CG-CG 4.34Å; E44-E48 WeakPolarHBondContact O-CG 3.36Å; E44-E48 PolarHBondContact O-N 2.61Å
45	E	75.5	Confident	76.2	Confident	127 Å²	127	92.4 Å²	92.4	59%	0.593	48%	0.479	S	S	*	.	H	α-helix	trans	-55.3	-38.4	175.4	-67	-172.2	68.4	0	0	112	K43 K49	K43-E45 PolarHBondContact O-N 3.17Å; E45-K49 WeakPolarHBondContact O-CB 3.14Å; E45-K49 WeakPolarHBondContact O-CD 3.32Å; E45-K49 WeakPolarHBondContact O-CG 3.18Å; E45-K49 PolarHBondContact O-N 2.67Å; E45-K49 IonicContact OE1-NZ 2.74Å; E45-K49 PolarHBondContact OE1-NZ 2.78Å
46	A	78.1	Confident	74.3	Confident	62 Å²	62	92.9 Å²	92.9	51%	0.512	48%	0.484	S	S	.	.	H	α-helix	trans	-72.9	-30.9	177.2	0	0	0	0	0	112.3	K43 E44 M50	K43-A46 CarbonylContact O-C 3.49Å; K43-A46 WeakPolarHBondContact O-CA 3.48Å; K43-A46 WeakPolarHBondContact O-CB 3.25Å; K43-A46 PolarHBondContact O-N 3.41Å; E44-A46 PolarHBondContact O-N 3Å; A46-M50 VanDerWaalsContact O-CB 3.32Å; A46-M50 WeakPolarHBondContact O-CB 3.38Å; A46-M50 PolarHBondContact O-N 2.99Å
47	L	76	Confident	72.3	Confident	25 Å²	25	98.2 Å²	98.2	13%	0.131	51%	0.511	C	S	.	.	H	α-helix	trans	-74.8	-37.9	175.3	-70.8	169.3	0	0	0	111.7	K11 L12 W40 K43 E44 M50	K11-L47 HydrophobicContact CB-CD1 4.1Å; K11-L47 HydrophobicContact CD-CD2 4.1Å; L12-L47 HydrophobicContact CD2-CB 3.67Å; L12-L47 HydrophobicContact CG-CB 4.39Å; W40-L47 HydrophobicContact CB-CD1 4.25Å; K43-L47 WeakPolarHBondContact O-CG 3.47Å; K43-L47 PolarHBondContact O-N 3.03Å; E44-L47 CarbonylContact O-C 3.53Å; E44-L47 WeakPolarHBondContact O-CA 3.4Å; E44-L47 WeakPolarHBondContact O-CB 3.44Å; E44-L47 PolarHBondContact O-N 3.2Å; L47-M50 WeakPolarHBondContact O-CB 3.41Å; L47-M50 PolarHBondContact O-N 2.74Å
48	E	72.4	Confident	70.1	Confident	128 Å²	128	103 Å²	103	60%	0.598	55%	0.551	S	S	*	*	H	α-helix	trans	-70.5	-42.4	175	-70.4	-170.6	108	0	0	111.5	L12 E44 M50	L12-E48 HydrophobicContact CD2-CG 4.3Å; E44-E48 HydrophobicContact CG-CG 4.34Å; E44-E48 WeakPolarHBondContact O-CG 3.36Å; E44-E48 PolarHBondContact O-N 2.61Å; E48-M50 PolarHBondContact O-N 2.9Å
49	K	68.8	Low	68	Low	148 Å²	148	107.7 Å²	107.7	64%	0.643	57%	0.571	S	S	*	*	S	Bend	trans	-73.8	-13.8	173.9	-69.6	168.2	-178.5	162.5	0	112.7	E45 P51	E45-K49 WeakPolarHBondContact O-CB 3.14Å; E45-K49 WeakPolarHBondContact O-CD 3.32Å; E45-K49 WeakPolarHBondContact O-CG 3.18Å; E45-K49 PolarHBondContact O-N 2.67Å; E45-K49 IonicContact OE1-NZ 2.74Å; E45-K49 PolarHBondContact OE1-NZ 2.78Å; K49-P51 WeakPolarHBondContact O-CD 3.09Å
50	M	67	Low	66	Low	116 Å²	116	107.5 Å²	107.5	57%	0.571	58%	0.579	S	S	*	*	S	Bend	trans	-64	110.7	179.7	-162.8	155.4	-164.4	0	0	107.3	A46 L47 E48 K52	A46-M50 VanDerWaalsContact O-CB 3.32Å; A46-M50 WeakPolarHBondContact O-CB 3.38Å; A46-M50 PolarHBondContact O-N 2.99Å; L47-M50 WeakPolarHBondContact O-CB 3.41Å; L47-M50 PolarHBondContact O-N 2.74Å; E48-M50 PolarHBondContact O-N 2.9Å; M50-K52 PolarHBondContact O-N 3.42Å
51	P	56.9	Low	64.4	Low	98 Å²	98	112.8 Å²	112.8	64%	0.636	62%	0.615	S	S	*	*			trans	-60.1	116.5	-179.9	24.9	-31.7	0	0	0	105.5	K49 K53	K49-P51 WeakPolarHBondContact O-CD 3.09Å; P51-K53 VanDerWaalsContact C-N 3.33Å; P51-K53 PolarHBondContact O-N 2.93Å
52	K	56.7	Low	62.9	Low	177 Å²	177	115.6 Å²	115.6	77%	0.77	64%	0.637	S	S	*	*			trans	-48.8	113.1	161	-66	174.3	-175.4	168.4	0	102.9	M50 N54	M50-K52 PolarHBondContact O-N 3.42Å; K52-N54 PolarHBondContact O-N 2.99Å
53	K	51.4	Low	61.6	Low	184 Å²	184	118.8 Å²	118.8	80%	0.8	64%	0.641	S	S	*	*	S	Bend	trans	-64.2	24	-174.9	-93.9	163.8	171.2	163.9	0	113.4	P51 A55	P51-K53 VanDerWaalsContact C-N 3.33Å; P51-K53 PolarHBondContact O-N 2.93Å; K53-A55 PolarHBondContact O-N 3.33Å
54	N	52.8	Low	60.2	Low	132 Å²	132	117.4 Å²	117.4	71%	0.706	65%	0.654	S	S	*	*			trans	-71.4	75.9	154	-62	69.8	0	0	0	107	K52 Q56	K52-N54 PolarHBondContact O-N 2.99Å; N54-Q56 PolarHBondContact O-N 2.81Å
55	A	49.5	Very low	59.1	Low	97 Å²	97	126.9 Å²	126.9	80%	0.802	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	30.5	172.4	0	0	0	0	0	113	K53	K53-A55 PolarHBondContact O-N 3.33Å
56	Q	52.4	Low	58.5	Low	184 Å²	184	132 Å²	132	86%	0.86	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	-10.7	-172.8	-69.6	-167.6	-92.4	0	0	116.8	N54	N54-Q56 PolarHBondContact O-N 2.81Å
57	D	49.2	Very low	57.5	Low	149 Å²	149	135.5 Å²	135.5	80%	0.797	73%	0.73	S	S	*	*			trans	-154.3	83.9	-175.9	-137	-81	0	0	0	112.9
58	A	46.5	Very low	56.5	Low	101 Å²	101	141.3 Å²	141.3	84%	0.835	76%	0.761	S	S	*	*			trans	-156.6	68.5	155	0	0	0	0	0	108.4
59	Q	49	Very low	55.6	Low	180 Å²	180	142 Å²	142	84%	0.841	77%	0.77	S	S	*	*			trans	-44	130.8	159.2	-172.3	83.8	34.1	0	0	110.7
60	A	48.1	Very low	54.8	Low	64 Å²	64	141.6 Å²	141.6	53%	0.529	78%	0.778	S	S	.	*			trans	2.1	140.5	160.7	0	0	0	0	0	120.6
61	P	59.9	Low	54.1	Low	124 Å²	124	143.3 Å²	143.3	81%	0.805	79%	0.791	S	S	*	*				-82.1	115.4	125.2	28.8	-21.4	0	0	0	108.5	H63	P61-H63 PolarHBondContact O-N 2.95Å
62	P	56.7	Low	53.9	Low	113 Å²	113	146.3 Å²	146.3	73%	0.734	80%	0.801	S	S	*	*			trans	-60.5	111	164.5	25.3	-30.1	0	0	0	106.4	G64	P62-G64 PolarHBondContact O-N 2.86Å
63	H	61	Low	53.7	Low	165 Å²	165	144.1 Å²	144.1	76%	0.764	80%	0.803	S	S	*	*			trans	-69	90.2	171.2	-162.2	75.8	0	0	0	106.6	P61 R65	P61-H63 PolarHBondContact O-N 2.95Å; H63-R65 PolarHBondContact O-N 3.18Å
64	G	54.3	Low	53.9	Low	66 Å²	66	141 Å²	141	68%	0.68	80%	0.804	S	S	*	*			trans	-60	115.3	168.3	0	0	0	0	0	108	P62	P62-G64 PolarHBondContact O-N 2.86Å
65	R	59.6	Low	54	Low	225 Å²	225	141.8 Å²	141.8	85%	0.849	81%	0.812	S	S	*	*			trans	-138.1	109.4	149	-124.8	173.5	-179.1	164.8	-0.9	107.4	H63	H63-R65 PolarHBondContact O-N 3.18Å
66	N	61.4	Low	54.4	Low	233 Å²	233	145.8 Å²	145.8	100%	1.246	81%	0.813	S	S	*	*			trans	-50	0	171.7	-171.6	71.1	0	0	0	112.4

Retrieved 66 of 66 residues in 76.5 ms (Link to these results)

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