A0A087WU54_HUMAN Loading...

Aldehyde dehydrogenase 3 family member B1

AlphaFold DB , UniProt , Accession A0A087WU54, Species HUMAN (Homo sapiens, Human), Gene ALDH3B1, Length 71 aa.

						>A0A087WU54_HUMAN|A0A087WU54|ALDH3B1
QSDESDRYIAPTVLVDVQEMEPVMQEEIFGPILPIVNVQSLDEAIEFINRREKPLALYAFSNSSQERIPQR
					

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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	Q	72.3	Confident	85.1	Confident	185 Å²	185	120.9 Å²	120.9	86%	0.864	62%	0.62	S	S	*	*				0	132.5	0	-174.6	-177.4	39.5	0	0	107.1	A10	Q1-A10 HydrophobicContact CB-CB 4.27Å; Q1-A10 WeakPolarHBondContact O-CB 3.22Å; Q1-A10 PolarHBondContact O-N 3.15Å
2	S	81.3	Confident	85.3	Confident	94 Å²	94	115.6 Å²	115.6	66%	0.657	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-138.3	142.3	176.3	52.5	0	0	0	0	109.2	Y8	S2-Y8 CarbonylContact C-O 3.55Å; S2-Y8 VanDerWaalsContact CA-O 3.26Å; S2-Y8 WeakPolarHBondContact CA-O 3.32Å
3	D	86.1	Confident	85.5	Confident	65 Å²	65	113.5 Å²	113.5	35%	0.348	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.2	114.5	171.2	-167.6	-34.5	0	0	0	108.3	S5 D6 R7 Y8	D3-S5 VanDerWaalsContact OD1-CB 3.29Å; D3-S5 WeakPolarHBondContact OD1-CB 3.48Å; D3-S5 PolarHBondContact OD1-N 3.47Å; D3-S5 PolarHBondContact OD1-OG 2.66Å; D3-D6 HydrophobicContact CB-CB 4.43Å; D3-R7 PolarHBondContact O-N 3.46Å; D3-Y8 PolarHBondContact N-O 2.73Å; D3-Y8 PolarHBondContact O-N 3.28Å
4	E	88.5	Confident	85.4	Confident	185 Å²	185	109.6 Å²	109.6	86%	0.864	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-36.3	-177.2	-173.1	178.8	173.3	0	0	112	D6 R7	E4-D6 VanDerWaalsContact C-N 3.27Å; E4-D6 PolarHBondContact O-N 2.98Å; E4-R7 PolarHBondContact O-N 3.18Å
5	S	90.4	Very high	85.5	Confident	107 Å²	107	108.8 Å²	108.8	75%	0.748	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-39.8	-178.4	-19.7	0	0	0	0	111.1	D3	D3-S5 VanDerWaalsContact OD1-CB 3.29Å; D3-S5 WeakPolarHBondContact OD1-CB 3.48Å; D3-S5 PolarHBondContact OD1-N 3.47Å; D3-S5 PolarHBondContact OD1-OG 2.66Å
6	D	89.1	Confident	85.3	Confident	126 Å²	126	108.9 Å²	108.9	67%	0.674	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	3.2	-178.7	-71.6	-14.8	0	0	0	113.2	D3 E4 Y8	D3-D6 HydrophobicContact CB-CB 4.43Å; E4-D6 VanDerWaalsContact C-N 3.27Å; E4-D6 PolarHBondContact O-N 2.98Å; D6-Y8 PolarHBondContact O-N 3.4Å
7	R	85.4	Confident	85.2	Confident	236 Å²	236	102.9 Å²	102.9	89%	0.891	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	38.1	-172.7	-58.4	179.3	179.1	175.5	-1	112.3	D3 E4	D3-R7 PolarHBondContact O-N 3.46Å; E4-R7 PolarHBondContact O-N 3.18Å
8	Y	84.3	Confident	85	Confident	108 Å²	108	105 Å²	105	42%	0.424	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130	-175.2	176.3	-99.6	0	0	0	111.2	S2 D3 D6 A10	S2-Y8 CarbonylContact C-O 3.55Å; S2-Y8 VanDerWaalsContact CA-O 3.26Å; S2-Y8 WeakPolarHBondContact CA-O 3.32Å; D3-Y8 PolarHBondContact N-O 2.73Å; D3-Y8 PolarHBondContact O-N 3.28Å; D6-Y8 PolarHBondContact O-N 3.4Å; Y8-A10 HydrophobicContact CE1-CB 4.01Å
9	I	85.4	Confident	84.7	Confident	97 Å²	97	103.9 Å²	103.9	50%	0.497	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.7	169.1	-55.1	174.4	0	0	0	106.8	P31	I9-P31 HydrophobicContact CB-CG 3.73Å; I9-P31 HydrophobicContact CG2-CG 3.75Å; I9-P31 WeakPolarHBondContact O-CG 3.47Å
10	A	87.5	Confident	84.4	Confident	16 Å²	16	107.3 Å²	107.3	13%	0.132	56%	0.557	C	S	.	*			trans	-67.3	146.1	176.7	0	0	0	0	0	111.3	Q1 Y8 T12	Q1-A10 HydrophobicContact CB-CB 4.27Å; Q1-A10 WeakPolarHBondContact O-CB 3.22Å; Q1-A10 PolarHBondContact O-N 3.15Å; Y8-A10 HydrophobicContact CE1-CB 4.01Å; A10-T12 PolarHBondContact O-N 3.24Å; A10-T12 PolarHBondContact O-OG1 3.46Å
11	P	86.4	Confident	84.4	Confident	111 Å²	111	105.5 Å²	105.5	72%	0.721	55%	0.546	S	S	*	.			trans	-52.4	126.7	173.8	-26	34.6	0	0	0	112	P31	P11-P31 WeakPolarHBondContact CA-O 3.43Å
12	T	87.6	Confident	84.9	Confident	57 Å²	57	102 Å²	102	35%	0.35	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.8	-174.4	-58.2	0	0	0	0	109.9	A10 L14 P31 I32 L33	A10-T12 PolarHBondContact O-N 3.24Å; A10-T12 PolarHBondContact O-OG1 3.46Å; T12-L14 HydrophobicContact CG2-CD2 4.13Å; T12-P31 PolarHBondContact N-O 2.85Å; T12-I32 CarbonylContact O-C 3.58Å; T12-I32 WeakPolarHBondContact O-CA 3.28Å; T12-L33 PolarHBondContact O-N 3.34Å
13	V	86.8	Confident	85	Confident	88 Å²	88	98.9 Å²	98.9	53%	0.533	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.5	175.3	179.8	0	0	0	0	108.2	V15 I35	V13-V15 HydrophobicContact CG1-CG1 4.27Å; V13-I35 HydrophobicContact CG1-CD1 3.52Å; V13-I35 HydrophobicContact CG1-CG1 4.09Å
14	L	85.3	Confident	84.8	Confident	60 Å²	60	96.9 Å²	96.9	31%	0.314	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.9	173.6	-59.4	178.8	0	0	0	108.2	T12 V17 V23 I32 L33 P34 I35	T12-L14 HydrophobicContact CG2-CD2 4.13Å; L14-V17 HydrophobicContact CB-CG2 3.6Å; L14-V17 WeakPolarHBondContact O-CG2 3.49Å; L14-V23 HydrophobicContact CD1-CG1 4.23Å; L14-V23 HydrophobicContact CD1-CG2 4.06Å; L14-I32 HydrophobicContact CD1-CG2 3.6Å; L14-I32 HydrophobicContact CG-CG2 3.9Å; L14-L33 PolarHBondContact N-O 3.45Å; L14-P34 CarbonylContact O-C 3.59Å; L14-I35 PolarHBondContact O-N 3.02Å
15	V	85.8	Confident	84.4	Confident	97 Å²	97	93.9 Å²	93.9	59%	0.588	49%	0.491	S	S	*	.			trans	-110.4	154.3	178.7	-63.6	0	0	0	0	110.1	V13 V17 I35	V13-V15 HydrophobicContact CG1-CG1 4.27Å; V15-V17 PolarHBondContact O-N 2.9Å; V15-I35 HydrophobicContact CG1-CD1 4.27Å
16	D	82.3	Confident	83.8	Confident	110 Å²	110	96.5 Å²	96.5	59%	0.588	49%	0.491	S	S	*	.	S	Bend	trans	56.9	34.2	178.9	-57.2	-45.8	0	0	0	113.9	Q18 I35 N37	D16-Q18 PolarHBondContact O-N 3.4Å; D16-I35 PolarHBondContact N-O 3.13Å; D16-N37 PolarHBondContact OD1-ND2 3.41Å
17	V	83.6	Confident	83.2	Confident	8 Å²	8	97.5 Å²	97.5	5%	0.048	49%	0.492	C	S	.	.			trans	-71.3	127.8	-176.2	-160.2	0	0	0	0	110.1	L14 V15 E21 V23 M24 P34	L14-V17 HydrophobicContact CB-CG2 3.6Å; L14-V17 WeakPolarHBondContact O-CG2 3.49Å; V15-V17 PolarHBondContact O-N 2.9Å; V17-E21 HydrophobicContact CG1-CB 4.18Å; V17-E21 WeakPolarHBondContact CG1-OE2 3.44Å; V17-V23 HydrophobicContact CG1-CG1 3.45Å; V17-V23 VanDerWaalsContact CG1-CG1 3.45Å; V17-M24 HydrophobicContact CB-CG 4.38Å; V17-M24 HydrophobicContact CB-SD 4.42Å; V17-M24 HydrophobicContact CG1-CG 3.62Å; V17-M24 HydrophobicContact CG1-SD 4.08Å; V17-P34 HydrophobicContact CB-CB 4.4Å; V17-P34 HydrophobicContact CG2-CB 3.94Å
18	Q	82.3	Confident	83	Confident	140 Å²	140	88.8 Å²	88.8	65%	0.654	46%	0.462	S	S	*	.			trans	-79.8	149.1	179	-56.7	-171.9	-25.9	0	0	111.8	D16 M20 E21 M24	D16-Q18 PolarHBondContact O-N 3.4Å; Q18-M20 PolarHBondContact O-N 2.53Å; Q18-E21 HydrophobicContact CB-CG 4.11Å; Q18-E21 PolarHBondContact N-OE1 3.04Å; Q18-E21 WeakPolarHBondContact O-CB 3.14Å; Q18-E21 PolarHBondContact O-N 3.01Å; Q18-M24 WeakPolarHBondContact O-CG 3.44Å
19	E	78.1	Confident	82.8	Confident	84 Å²	84	92.1 Å²	92.1	39%	0.393	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.3	-178.8	178.9	169	-154.2	0	0	113.2	E21 M24 Q25 F47	E19-E21 VanDerWaalsContact C-N 3.29Å; E19-E21 PolarHBondContact O-N 3.14Å; E19-M24 WeakPolarHBondContact O-CB 3.31Å; E19-Q25 PolarHBondContact O-NE2 3.3Å; E19-F47 HydrophobicContact CB-CE2 4.32Å; E19-F47 HydrophobicContact CG-CE2 4.24Å
20	M	80.4	Confident	82.7	Confident	171 Å²	171	89.4 Å²	89.4	84%	0.842	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.2	-178.7	-63.7	-172.7	179.6	0	0	113.9	Q18	Q18-M20 PolarHBondContact O-N 2.53Å
21	E	84.4	Confident	82.6	Confident	71 Å²	71	91.2 Å²	91.2	33%	0.332	49%	0.486	S	S	.	.	S	Bend	trans	-70.8	143.6	176.8	-75.7	-179.6	-136.3	0	0	111.5	V17 Q18 E19 V23 M24	V17-E21 HydrophobicContact CG1-CB 4.18Å; V17-E21 WeakPolarHBondContact CG1-OE2 3.44Å; Q18-E21 HydrophobicContact CB-CG 4.11Å; Q18-E21 PolarHBondContact N-OE1 3.04Å; Q18-E21 WeakPolarHBondContact O-CB 3.14Å; Q18-E21 PolarHBondContact O-N 3.01Å; E19-E21 VanDerWaalsContact C-N 3.29Å; E19-E21 PolarHBondContact O-N 3.14Å; E21-V23 HydrophobicContact CB-CG1 4.21Å; E21-V23 PolarHBondContact O-N 2.94Å; E21-V23 VanDerWaalsContact O-N 3.08Å; E21-M24 WeakPolarHBondContact O-CA 3.39Å; E21-M24 WeakPolarHBondContact O-CB 3.44Å; E21-M24 PolarHBondContact O-N 3.45Å
22	P	82.6	Confident	82.5	Confident	110 Å²	110	89 Å²	89	71%	0.714	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-53.8	-35.3	-176.7	-27.9	34.7	0	0	0	114.1	M24 Q25	P22-M24 PolarHBondContact O-N 3.18Å; P22-M24 VanDerWaalsContact O-N 3.15Å; P22-Q25 PolarHBondContact O-N 2.79Å; P22-Q25 VanDerWaalsContact O-N 3.13Å
23	V	82.3	Confident	82.5	Confident	30 Å²	30	91.4 Å²	91.4	18%	0.182	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-64	-17.7	178.4	75	0	0	0	0	113.4	L14 V17 E21 I28 I32 P34	L14-V23 HydrophobicContact CD1-CG1 4.23Å; L14-V23 HydrophobicContact CD1-CG2 4.06Å; V17-V23 HydrophobicContact CG1-CG1 3.45Å; V17-V23 VanDerWaalsContact CG1-CG1 3.45Å; E21-V23 HydrophobicContact CB-CG1 4.21Å; E21-V23 PolarHBondContact O-N 2.94Å; E21-V23 VanDerWaalsContact O-N 3.08Å; V23-I28 HydrophobicContact CG2-CD1 3.52Å; V23-I28 HydrophobicContact CG2-CG1 3.9Å; V23-I28 WeakPolarHBondContact O-CD1 3.36Å; V23-I32 HydrophobicContact CG2-CG2 4.08Å; V23-P34 HydrophobicContact CG2-CG 4.02Å
24	M	82	Confident	82.3	Confident	22 Å²	22	88.8 Å²	88.8	11%	0.108	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-101.9	-6.8	179.8	-63.1	-60.3	-75.6	0	0	113.2	V17 Q18 E19 E21 P22 P34 V36 F47 R51	V17-M24 HydrophobicContact CB-CG 4.38Å; V17-M24 HydrophobicContact CB-SD 4.42Å; V17-M24 HydrophobicContact CG1-CG 3.62Å; V17-M24 HydrophobicContact CG1-SD 4.08Å; Q18-M24 WeakPolarHBondContact O-CG 3.44Å; E19-M24 WeakPolarHBondContact O-CB 3.31Å; E21-M24 WeakPolarHBondContact O-CA 3.39Å; E21-M24 WeakPolarHBondContact O-CB 3.44Å; E21-M24 PolarHBondContact O-N 3.45Å; P22-M24 PolarHBondContact O-N 3.18Å; P22-M24 VanDerWaalsContact O-N 3.15Å; M24-P34 HydrophobicContact SD-CB 3.47Å; M24-P34 WeakPolarHBondContact SD-CB 3.47Å; M24-P34 HydrophobicContact SD-CG 3.87Å; M24-V36 HydrophobicContact CE-CG2 3.27Å; M24-V36 HydrophobicContact SD-CG2 4.38Å; M24-F47 HydrophobicContact CE-CE1 4.3Å; M24-F47 HydrophobicContact CE-CZ 3.73Å; M24-R51 PolarHBondContact O-NH1 3.38Å
25	Q	79.8	Confident	82.4	Confident	123 Å²	123	89.2 Å²	89.2	58%	0.575	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-31.5	-176.6	-63.5	-62.8	-54.8	0	0	112.9	E19 P22	E19-Q25 PolarHBondContact O-NE2 3.3Å; P22-Q25 PolarHBondContact O-N 2.79Å; P22-Q25 VanDerWaalsContact O-N 3.13Å
26	E	77.9	Confident	82.4	Confident	161 Å²	161	87 Å²	87	75%	0.752	45%	0.45	S	S	*	.	S	Bend	trans	-127.2	160.3	-176.7	-65	-177.7	-168.9	0	0	111.4	I28	E26-I28 PolarHBondContact O-N 3.04Å
27	E	77.2	Confident	82.7	Confident	147 Å²	147	87 Å²	87	69%	0.687	45%	0.451	S	S	*	.			trans	-69.8	122.4	176.3	-167.9	170.8	-173.7	0	0	110.6	F29	E27-F29 HydrophobicContact CB-CD2 3.83Å; E27-F29 HydrophobicContact CB-CE2 3.72Å; E27-F29 HydrophobicContact CG-CD2 3.58Å; E27-F29 HydrophobicContact CG-CE2 3.41Å; E27-F29 VanDerWaalsContact CG-CE2 3.41Å; E27-F29 HydrophobicContact CG-CG 4.31Å; E27-F29 HydrophobicContact CG-CZ 4Å; E27-F29 PolarHBondContact O-N 2.79Å; E27-F29 WeakPolarHBondContact OE1-CZ 3.26Å; E27-F29 WeakPolarHBondContact OE2-CE2 3.31Å; E27-F29 WeakPolarHBondContact OE2-CZ 3.43Å
28	I	80.6	Confident	82.9	Confident	54 Å²	54	89.5 Å²	89.5	28%	0.277	47%	0.466	S	S	.	.			trans	-68.7	-29.2	-168.2	-67.9	171.5	0	0	0	113.3	V23 E26 G30 I32 P34	V23-I28 HydrophobicContact CG2-CD1 3.52Å; V23-I28 HydrophobicContact CG2-CG1 3.9Å; V23-I28 WeakPolarHBondContact O-CD1 3.36Å; E26-I28 PolarHBondContact O-N 3.04Å; I28-G30 PolarHBondContact O-N 3.06Å; I28-I32 HydrophobicContact CD1-CB 4.49Å; I28-I32 HydrophobicContact CG2-CB 3.63Å; I28-I32 HydrophobicContact CG2-CD1 4.29Å; I28-I32 HydrophobicContact CG2-CG1 4.16Å; I28-P34 VanDerWaalsContact CD1-CD 3.49Å; I28-P34 HydrophobicContact CD1-CG 3.38Å
29	F	81	Confident	83.3	Confident	177 Å²	177	91.8 Å²	91.8	78%	0.776	48%	0.476	S	S	*	.			trans	38.3	34.4	-178.4	-79.8	-73.2	0	0	0	115.4	E27	E27-F29 HydrophobicContact CB-CD2 3.83Å; E27-F29 HydrophobicContact CB-CE2 3.72Å; E27-F29 HydrophobicContact CG-CD2 3.58Å; E27-F29 HydrophobicContact CG-CE2 3.41Å; E27-F29 VanDerWaalsContact CG-CE2 3.41Å; E27-F29 HydrophobicContact CG-CG 4.31Å; E27-F29 HydrophobicContact CG-CZ 4Å; E27-F29 PolarHBondContact O-N 2.79Å; E27-F29 WeakPolarHBondContact OE1-CZ 3.26Å; E27-F29 WeakPolarHBondContact OE2-CE2 3.31Å; E27-F29 WeakPolarHBondContact OE2-CZ 3.43Å
30	G	82.9	Confident	83.8	Confident	40 Å²	40	90.3 Å²	90.3	41%	0.412	48%	0.475	S	S	.	.	S	Bend	trans	-158.4	172.2	-170.1	0	0	0	0	0	110.8	I28 I32	I28-G30 PolarHBondContact O-N 3.06Å; G30-I32 PolarHBondContact O-N 3.15Å
31	P	86.1	Confident	84.2	Confident	55 Å²	55	85.6 Å²	85.6	36%	0.357	45%	0.453	S	S	.	.	S	Bend	trans	-81.8	45.4	-170.7	35.9	-36.9	0	0	0	112.1	I9 P11 T12	I9-P31 HydrophobicContact CB-CG 3.73Å; I9-P31 HydrophobicContact CG2-CG 3.75Å; I9-P31 WeakPolarHBondContact O-CG 3.47Å; P11-P31 WeakPolarHBondContact CA-O 3.43Å; T12-P31 PolarHBondContact N-O 2.85Å
32	I	84.5	Confident	84.4	Confident	63 Å²	63	88.1 Å²	88.1	32%	0.323	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.2	176.6	-50.6	174.3	0	0	0	108.5	T12 L14 V23 I28 G30	T12-I32 CarbonylContact O-C 3.58Å; T12-I32 WeakPolarHBondContact O-CA 3.28Å; L14-I32 HydrophobicContact CD1-CG2 3.6Å; L14-I32 HydrophobicContact CG-CG2 3.9Å; V23-I32 HydrophobicContact CG2-CG2 4.08Å; I28-I32 HydrophobicContact CD1-CB 4.49Å; I28-I32 HydrophobicContact CG2-CB 3.63Å; I28-I32 HydrophobicContact CG2-CD1 4.29Å; I28-I32 HydrophobicContact CG2-CG1 4.16Å; G30-I32 PolarHBondContact O-N 3.15Å
33	L	86	Confident	84.8	Confident	109 Å²	109	86.5 Å²	86.5	57%	0.571	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	99.2	178.7	-176.5	64.4	0	0	0	110.1	T12 L14	T12-L33 PolarHBondContact O-N 3.34Å; L14-L33 PolarHBondContact N-O 3.45Å
34	P	83.7	Confident	85.1	Confident	32 Å²	32	86.2 Å²	86.2	21%	0.208	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.8	171.8	-18.2	32.2	0	0	0	111.7	L14 V17 V23 M24 I28	L14-P34 CarbonylContact O-C 3.59Å; V17-P34 HydrophobicContact CB-CB 4.4Å; V17-P34 HydrophobicContact CG2-CB 3.94Å; V23-P34 HydrophobicContact CG2-CG 4.02Å; M24-P34 HydrophobicContact SD-CB 3.47Å; M24-P34 WeakPolarHBondContact SD-CB 3.47Å; M24-P34 HydrophobicContact SD-CG 3.87Å; I28-P34 VanDerWaalsContact CD1-CD 3.49Å; I28-P34 HydrophobicContact CD1-CG 3.38Å
35	I	86.4	Confident	85.5	Confident	70 Å²	70	86.4 Å²	86.4	36%	0.359	45%	0.454	S	S	.	.			trans	-114.3	123.4	171.9	-59.4	-179.7	0	0	0	108.2	V13 L14 V15 D16	V13-I35 HydrophobicContact CG1-CD1 3.52Å; V13-I35 HydrophobicContact CG1-CG1 4.09Å; L14-I35 PolarHBondContact O-N 3.02Å; V15-I35 HydrophobicContact CG1-CD1 4.27Å; D16-I35 PolarHBondContact N-O 3.13Å
36	V	86.8	Confident	86	Confident	49 Å²	49	85.3 Å²	85.3	30%	0.297	45%	0.448	S	S	.	.			trans	-111.6	128.1	176.3	-176.5	0	0	0	0	108.6	M24 F47	M24-V36 HydrophobicContact CE-CG2 3.27Å; M24-V36 HydrophobicContact SD-CG2 4.38Å; V36-F47 HydrophobicContact CG1-CE2 4.42Å; V36-F47 HydrophobicContact CG1-CZ 4.17Å; V36-F47 HydrophobicContact CG2-CE1 4.37Å; V36-F47 HydrophobicContact CG2-CZ 4.03Å
37	N	87.9	Confident	86.5	Confident	112 Å²	112	79.6 Å²	79.6	60%	0.599	42%	0.421	S	S	*	.			trans	-87.2	129.3	174.3	-66.3	-16.6	0	0	0	109.4	D16	D16-N37 PolarHBondContact OD1-ND2 3.41Å
38	V	88	Confident	87	Confident	60 Å²	60	75.3 Å²	75.3	36%	0.364	40%	0.403	S	S	.	.			trans	-119.1	152.8	173.5	-66.1	0	0	0	0	109.5	E43 A44	V38-E43 HydrophobicContact CB-CB 4.4Å; V38-E43 HydrophobicContact CB-CG 4.31Å; V38-E43 HydrophobicContact CG1-CG 4.27Å; V38-A44 HydrophobicContact CB-CB 4.5Å; V38-A44 HydrophobicContact CG1-CB 4.3Å; V38-A44 HydrophobicContact CG2-CB 3.92Å
39	Q	90.1	Very high	87.4	Confident	188 Å²	188	75.7 Å²	75.7	88%	0.879	41%	0.405	S	S	*	.	S	Bend	trans	-86.3	-20.5	-179.9	-54.9	-175.1	15.7	0	0	112.2	E43	Q39-E43 WeakPolarHBondContact CA-OE2 3.48Å; Q39-E43 VanDerWaalsContact CB-OE2 3.32Å; Q39-E43 WeakPolarHBondContact CB-OE2 3.47Å; Q39-E43 PolarHBondContact N-OE2 3.46Å
40	S	89.9	Confident	87.7	Confident	52 Å²	52	75.2 Å²	75.2	36%	0.364	40%	0.398	S	S	.	.	S	Bend	trans	-152	165.3	179.2	75.7	0	0	0	0	113.3	D42 E43 A44	S40-D42 VanDerWaalsContact C-N 3.31Å; S40-D42 PolarHBondContact OG-N 3.02Å; S40-E43 PolarHBondContact O-N 2.91Å; S40-E43 PolarHBondContact OG-N 2.9Å; S40-E43 VanDerWaalsContact OG-N 3.13Å; S40-A44 PolarHBondContact O-N 3.23Å; S40-A44 VanDerWaalsContact O-N 3.15Å
41	L	87.4	Confident	87.7	Confident	72 Å²	72	77.3 Å²	77.3	38%	0.377	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-38.3	172.5	179.1	61.1	0	0	0	111.8	E43 A44 I45 E66	L41-E43 VanDerWaalsContact C-N 3.31Å; L41-E43 PolarHBondContact O-N 3.08Å; L41-A44 WeakPolarHBondContact O-CB 3.33Å; L41-A44 PolarHBondContact O-N 3.07Å; L41-I45 HydrophobicContact CD1-CD1 4.22Å; L41-I45 HydrophobicContact CD1-CG1 4.34Å; L41-I45 HydrophobicContact CD2-CD1 4.48Å; L41-I45 HydrophobicContact CG-CD1 3.87Å; L41-I45 HydrophobicContact CG-CG1 4.44Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 2.99Å; L41-E66 HydrophobicContact CD2-CB 4.38Å; L41-E66 HydrophobicContact CD2-CG 4.21Å
42	D	90	Very high	87.6	Confident	124 Å²	124	83.4 Å²	83.4	66%	0.663	42%	0.417	S	S	*	.	H	α-helix	trans	-62.7	-40.3	178.5	-66.1	-45.7	0	0	0	111.3	S40 I45 E46	S40-D42 VanDerWaalsContact C-N 3.31Å; S40-D42 PolarHBondContact OG-N 3.02Å; D42-I45 PolarHBondContact O-N 3.38Å; D42-E46 WeakPolarHBondContact O-CB 3.46Å; D42-E46 PolarHBondContact O-N 2.96Å
43	E	90.4	Very high	87.5	Confident	77 Å²	77	89 Å²	89	36%	0.36	44%	0.439	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175	-174.7	-178.9	-171.7	0	0	111.4	V38 Q39 S40 L41 I45 E46 F47	V38-E43 HydrophobicContact CB-CB 4.4Å; V38-E43 HydrophobicContact CB-CG 4.31Å; V38-E43 HydrophobicContact CG1-CG 4.27Å; Q39-E43 WeakPolarHBondContact CA-OE2 3.48Å; Q39-E43 VanDerWaalsContact CB-OE2 3.32Å; Q39-E43 WeakPolarHBondContact CB-OE2 3.47Å; Q39-E43 PolarHBondContact N-OE2 3.46Å; S40-E43 PolarHBondContact O-N 2.91Å; S40-E43 PolarHBondContact OG-N 2.9Å; S40-E43 VanDerWaalsContact OG-N 3.13Å; L41-E43 VanDerWaalsContact C-N 3.31Å; L41-E43 PolarHBondContact O-N 3.08Å; E43-I45 VanDerWaalsContact C-N 3.35Å; E43-I45 PolarHBondContact O-N 3.15Å; E43-E46 PolarHBondContact O-N 3.13Å; E43-F47 VanDerWaalsContact O-CB 3.22Å; E43-F47 WeakPolarHBondContact O-CB 3.4Å; E43-F47 PolarHBondContact O-N 2.85Å
44	A	89.3	Confident	87.3	Confident	23 Å²	23	86.8 Å²	86.8	19%	0.19	43%	0.431	C	S	.	.	H	α-helix	trans	-59.9	-43.6	173.1	0	0	0	0	0	112.5	V38 S40 L41 F47 I48	V38-A44 HydrophobicContact CB-CB 4.5Å; V38-A44 HydrophobicContact CG1-CB 4.3Å; V38-A44 HydrophobicContact CG2-CB 3.92Å; S40-A44 PolarHBondContact O-N 3.23Å; S40-A44 VanDerWaalsContact O-N 3.15Å; L41-A44 WeakPolarHBondContact O-CB 3.33Å; L41-A44 PolarHBondContact O-N 3.07Å; A44-F47 PolarHBondContact O-N 3.26Å; A44-I48 WeakPolarHBondContact O-CD1 3.26Å; A44-I48 VanDerWaalsContact O-CG1 3.31Å; A44-I48 WeakPolarHBondContact O-CG1 3.4Å; A44-I48 PolarHBondContact O-N 3.35Å
45	I	89.2	Confident	87.3	Confident	27 Å²	27	94.2 Å²	94.2	14%	0.138	47%	0.468	C	S	.	.	H	α-helix	trans	-63.5	-44.5	178.6	-70.7	165	0	0	0	110.2	L41 D42 E43 N49 I68 P69	L41-I45 HydrophobicContact CD1-CD1 4.22Å; L41-I45 HydrophobicContact CD1-CG1 4.34Å; L41-I45 HydrophobicContact CD2-CD1 4.48Å; L41-I45 HydrophobicContact CG-CD1 3.87Å; L41-I45 HydrophobicContact CG-CG1 4.44Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 2.99Å; D42-I45 PolarHBondContact O-N 3.38Å; E43-I45 VanDerWaalsContact C-N 3.35Å; E43-I45 PolarHBondContact O-N 3.15Å; I45-N49 VanDerWaalsContact CG2-ND2 3.28Å; I45-N49 WeakPolarHBondContact CG2-ND2 3.38Å; I45-N49 VanDerWaalsContact O-CB 3.26Å; I45-N49 WeakPolarHBondContact O-CB 3.47Å; I45-N49 VanDerWaalsContact O-CG 3.28Å; I45-N49 PolarHBondContact O-N 3.36Å; I45-N49 PolarHBondContact O-ND2 2.91Å; I45-I68 HydrophobicContact CG1-CG2 4.4Å; I45-P69 HydrophobicContact CD1-CG 4.42Å
46	E	90.2	Very high	87.2	Confident	99 Å²	99	93.5 Å²	93.5	46%	0.463	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-45.1	176.8	-172.3	176.5	-177.8	0	0	111.5	D42 E43 I48 N49 R50	D42-E46 WeakPolarHBondContact O-CB 3.46Å; D42-E46 PolarHBondContact O-N 2.96Å; E43-E46 PolarHBondContact O-N 3.13Å; E46-I48 PolarHBondContact O-N 3.35Å; E46-N49 PolarHBondContact O-N 2.83Å; E46-N49 VanDerWaalsContact O-N 3.15Å; E46-R50 HydrophobicContact CG-CG 4.46Å; E46-R50 WeakPolarHBondContact O-CG 3.29Å; E46-R50 PolarHBondContact O-N 3.03Å; E46-R50 IonicContact OE1-CZ 3.3Å; E46-R50 VanDerWaalsContact OE1-CZ 3.3Å; E46-R50 IonicContact OE1-NE 3.18Å; E46-R50 PolarHBondContact OE1-NE 2.86Å; E46-R50 IonicContact OE1-NH2 2.66Å; E46-R50 PolarHBondContact OE1-NH2 3.47Å
47	F	88.3	Confident	87.2	Confident	41 Å²	41	95.3 Å²	95.3	18%	0.18	48%	0.48	C	S	.	.	H	α-helix	trans	-57	-46.3	178.4	179.9	-97.9	0	0	0	112.4	E19 M24 V36 E43 A44	E19-F47 HydrophobicContact CB-CE2 4.32Å; E19-F47 HydrophobicContact CG-CE2 4.24Å; M24-F47 HydrophobicContact CE-CE1 4.3Å; M24-F47 HydrophobicContact CE-CZ 3.73Å; V36-F47 HydrophobicContact CG1-CE2 4.42Å; V36-F47 HydrophobicContact CG1-CZ 4.17Å; V36-F47 HydrophobicContact CG2-CE1 4.37Å; V36-F47 HydrophobicContact CG2-CZ 4.03Å; E43-F47 VanDerWaalsContact O-CB 3.22Å; E43-F47 WeakPolarHBondContact O-CB 3.4Å; E43-F47 PolarHBondContact O-N 2.85Å; A44-F47 PolarHBondContact O-N 3.26Å
48	I	88.8	Confident	87.1	Confident	58 Å²	58	98.8 Å²	98.8	30%	0.297	49%	0.486	S	S	.	.	H	α-helix	trans	-66.7	-41.5	176.8	-65.6	160.9	0	0	0	110.7	A44 E46 R50 R51 P54 L57	A44-I48 WeakPolarHBondContact O-CD1 3.26Å; A44-I48 VanDerWaalsContact O-CG1 3.31Å; A44-I48 WeakPolarHBondContact O-CG1 3.4Å; A44-I48 PolarHBondContact O-N 3.35Å; E46-I48 PolarHBondContact O-N 3.35Å; I48-R50 VanDerWaalsContact C-N 3.32Å; I48-R50 PolarHBondContact O-N 2.85Å; I48-R51 PolarHBondContact O-N 2.79Å; I48-P54 HydrophobicContact CG2-CG 4.32Å; I48-L57 HydrophobicContact CD1-CD1 3.76Å; I48-L57 HydrophobicContact CG2-CD1 4.47Å
49	N	87.9	Confident	87.1	Confident	62 Å²	62	99.3 Å²	99.3	33%	0.332	50%	0.497	S	S	.	.	H	α-helix	trans	-72.2	-19.7	-175.1	-83.1	-43.1	0	0	0	115.2	I45 E46 R71	I45-N49 VanDerWaalsContact CG2-ND2 3.28Å; I45-N49 WeakPolarHBondContact CG2-ND2 3.38Å; I45-N49 VanDerWaalsContact O-CB 3.26Å; I45-N49 WeakPolarHBondContact O-CB 3.47Å; I45-N49 VanDerWaalsContact O-CG 3.28Å; I45-N49 PolarHBondContact O-N 3.36Å; I45-N49 PolarHBondContact O-ND2 2.91Å; E46-N49 PolarHBondContact O-N 2.83Å; E46-N49 VanDerWaalsContact O-N 3.15Å; N49-R71 PolarHBondContact O-NH1 3.35Å; N49-R71 PolarHBondContact OD1-NH1 3.18Å
50	R	87.4	Confident	86.9	Confident	167 Å²	167	99.5 Å²	99.5	63%	0.63	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.5	174.1	-75.4	174.8	177.7	-160	2.9	112.8	E46 I48	E46-R50 HydrophobicContact CG-CG 4.46Å; E46-R50 WeakPolarHBondContact O-CG 3.29Å; E46-R50 PolarHBondContact O-N 3.03Å; E46-R50 IonicContact OE1-CZ 3.3Å; E46-R50 VanDerWaalsContact OE1-CZ 3.3Å; E46-R50 IonicContact OE1-NE 3.18Å; E46-R50 PolarHBondContact OE1-NE 2.86Å; E46-R50 IonicContact OE1-NH2 2.66Å; E46-R50 PolarHBondContact OE1-NH2 3.47Å; I48-R50 VanDerWaalsContact C-N 3.32Å; I48-R50 PolarHBondContact O-N 2.85Å
51	R	82.9	Confident	86.7	Confident	83 Å²	83	99.9 Å²	99.9	31%	0.313	50%	0.498	S	S	.	.	S	Bend	trans	-101.9	172.2	-178.8	-61	172.7	-179.5	-141.6	-14.3	110.8	M24 I48	M24-R51 PolarHBondContact O-NH1 3.38Å; I48-R51 PolarHBondContact O-N 2.79Å
52	E	83.6	Confident	86.6	Confident	183 Å²	183	104.9 Å²	104.9	86%	0.855	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-59.4	149	172.1	-66.8	-161.4	154.5	0	0	111.4	P54	E52-P54 WeakPolarHBondContact O-CD 3Å
53	K	82.8	Confident	86.2	Confident	182 Å²	182	101.7 Å²	101.7	79%	0.791	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-62.2	119.6	-176.4	-176.7	173.4	179.8	170.1	0	109.3
54	P	81.8	Confident	85.1	Confident	62 Å²	62	104 Å²	104	40%	0.403	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-70	149.5	-179.7	29.8	-35.2	0	0	0	110.5	I48 E52 A56	I48-P54 HydrophobicContact CG2-CG 4.32Å; E52-P54 WeakPolarHBondContact O-CD 3Å; P54-A56 VanDerWaalsContact C-N 3.28Å; P54-A56 PolarHBondContact O-N 2.96Å
55	L	84.6	Confident	83.9	Confident	187 Å²	187	111.1 Å²	111.1	98%	0.979	57%	0.567	S	S	*	*	S	Bend	trans	-65.5	-34.1	175.5	-178	62	0	0	0	112
56	A	83.8	Confident	82.8	Confident	55 Å²	55	115.1 Å²	115.1	46%	0.455	58%	0.584	S	S	.	*			trans	-142.8	148.9	178.6	0	0	0	0	0	110.9	P54 Y58	P54-A56 VanDerWaalsContact C-N 3.28Å; P54-A56 PolarHBondContact O-N 2.96Å; A56-Y58 HydrophobicContact CB-CE2 4.05Å
57	L	86.2	Confident	81.7	Confident	87 Å²	87	120.7 Å²	120.7	46%	0.455	60%	0.601	S	S	.	*			trans	-130.9	128.9	173.6	-176.5	92.9	0	0	0	108.2	I48 I68	I48-L57 HydrophobicContact CD1-CD1 3.76Å; I48-L57 HydrophobicContact CG2-CD1 4.47Å; L57-I68 HydrophobicContact CD2-CD1 3.71Å; L57-I68 HydrophobicContact CD2-CG2 4.19Å
58	Y	87	Confident	80.8	Confident	185 Å²	185	121.8 Å²	121.8	73%	0.725	61%	0.608	S	S	*	*			trans	-113.7	124.5	175.3	-56.7	-75.8	0	0	0	109.4	A56	A56-Y58 HydrophobicContact CB-CE2 4.05Å
59	A	86.6	Confident	79.8	Confident	71 Å²	71	123.2 Å²	123.2	59%	0.587	62%	0.622	S	S	*	*			trans	-116.2	125.6	176.8	0	0	0	0	0	109.3	I68	A59-I68 HydrophobicContact CB-CD1 3.73Å
60	F	87.8	Confident	78.4	Confident	192 Å²	192	129.5 Å²	129.5	84%	0.842	65%	0.649	S	S	*	*			trans	-116.2	114	177.8	-63.8	-89.7	0	0	0	108.5
61	S	84.3	Confident	77.1	Confident	61 Å²	61	133 Å²	133	43%	0.427	66%	0.662	S	S	.	*			trans	-149.7	148.5	176.6	-177.3	0	0	0	0	110.6	S63 E66	S61-S63 VanDerWaalsContact C-N 3.31Å; S61-S63 PolarHBondContact OG-N 3.19Å; S61-E66 WeakPolarHBondContact CB-OE2 3.2Å; S61-E66 PolarHBondContact OG-OE2 2.89Å
62	N	85.6	Confident	76.8	Confident	177 Å²	177	135.5 Å²	135.5	95%	0.947	68%	0.68	S	S	*	*	S	Bend	trans	-86.7	-5.7	169.5	-67.5	-48.1	0	0	0	112.1
63	S	80.9	Confident	76.4	Confident	56 Å²	56	133 Å²	133	39%	0.392	67%	0.67	S	S	.	*			trans	-95.9	114.4	177.7	-179.6	0	0	0	0	110.4	S61 Q65	S61-S63 VanDerWaalsContact C-N 3.31Å; S61-S63 PolarHBondContact OG-N 3.19Å; S63-Q65 PolarHBondContact O-N 2.86Å; S63-Q65 VanDerWaalsContact O-N 3.14Å
64	S	69.1	Low	76.1	Confident	125 Å²	125	130.3 Å²	130.3	87%	0.874	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-7.6	177.9	-46.6	0	0	0	0	114
65	Q	63.7	Low	75.7	Confident	174 Å²	174	134.3 Å²	134.3	81%	0.813	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-7.7	-177	-65.5	-146.3	21.8	0	0	114.5	S63 R67	S63-Q65 PolarHBondContact O-N 2.86Å; S63-Q65 VanDerWaalsContact O-N 3.14Å; Q65-R67 VanDerWaalsContact C-N 3.33Å; Q65-R67 PolarHBondContact O-N 3.21Å
66	E	66.2	Low	75.2	Confident	110 Å²	110	131 Å²	131	51%	0.514	66%	0.66	S	S	.	*			trans	-74.9	88.2	175.7	-79.3	167.7	-176	0	0	109.8	L41 S61	L41-E66 HydrophobicContact CD2-CB 4.38Å; L41-E66 HydrophobicContact CD2-CG 4.21Å; S61-E66 WeakPolarHBondContact CB-OE2 3.2Å; S61-E66 PolarHBondContact OG-OE2 2.89Å
67	R	66.6	Low	74.6	Confident	217 Å²	217	136.1 Å²	136.1	82%	0.819	67%	0.674	S	S	*	*			trans	-92.5	112.9	177.9	-66	178.7	68.3	-175.3	0.9	108.7	Q65 P69	Q65-R67 VanDerWaalsContact C-N 3.33Å; Q65-R67 PolarHBondContact O-N 3.21Å; R67-P69 WeakPolarHBondContact O-CD 3.35Å
68	I	68.4	Low	73.8	Confident	63 Å²	63	139.6 Å²	139.6	32%	0.323	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-75.1	117.5	167.6	-57.9	179.5	0	0	0	107.2	I45 L57 A59 Q70	I45-I68 HydrophobicContact CG1-CG2 4.4Å; L57-I68 HydrophobicContact CD2-CD1 3.71Å; L57-I68 HydrophobicContact CD2-CG2 4.19Å; A59-I68 HydrophobicContact CB-CD1 3.73Å; I68-Q70 PolarHBondContact O-N 3.36Å
69	P	67.8	Low	72.8	Confident	89 Å²	89	136.1 Å²	136.1	58%	0.578	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.4	178	20.9	-24	0	0	0	109.7	I45 R67	I45-P69 HydrophobicContact CD1-CG 4.42Å; R67-P69 WeakPolarHBondContact O-CD 3.35Å
70	Q	59.8	Low	71.6	Confident	194 Å²	194	141.5 Å²	141.5	91%	0.907	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-80.4	129.3	173.5	-64.3	-168.2	31.4	0	0	109.2	I68	I68-Q70 PolarHBondContact O-N 3.36Å
71	R	59.4	Low	70.2	Confident	240 Å²	240	136.9 Å²	136.9	91%	0.906	68%	0.682	S	S	*	*			trans	-72.9	0	169.8	-106.8	-177.9	165.6	169	-5.6	111.3	N49	N49-R71 PolarHBondContact O-NH1 3.35Å; N49-R71 PolarHBondContact OD1-NH1 3.18Å

Retrieved 71 of 71 residues in 55.6 ms (Link to these results)

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