A0A087WTY3_HUMAN Loading...

Dehydrogenase/reductase 3

AlphaFold DB , UniProt , Accession A0A087WTY3, Species HUMAN (Homo sapiens, Human), Gene DHRS3, Length 81 aa.

						>A0A087WTY3_HUMAN|A0A087WTY3|DHRS3
MGTECHYFICDVGNREEVYQTAKAVREKVSQPLSPTEAGDGGPEDSGSCAAQPGPPPPPMDNACPRYLEKHTSTGCTRGDP
					

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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	53.5	Low	78.1	Confident	244 Å²	244	123.8 Å²	123.8	100%	1.202	66%	0.662	S	S	*	*				0	102	0	-62.5	-58.6	176.5	0	0	106.5
2	G	65.3	Low	79	Confident	82 Å²	82	124.3 Å²	124.3	85%	0.845	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-74.9	137.5	-176.8	0	0	0	0	0	110.5	E4	G2-E4 PolarHBondContact O-N 2.7Å
3	T	71.1	Confident	80.1	Confident	128 Å²	128	119.8 Å²	119.8	79%	0.785	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-69.2	124.4	171.4	40.9	0	0	0	0	109.3	C5	T3-C5 PolarHBondContact O-N 3.5Å
4	E	77.9	Confident	80.8	Confident	160 Å²	160	116 Å²	116	75%	0.748	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-70.6	119.7	173.4	-167.4	168.6	178.6	0	0	109.2	G2 H6	G2-E4 PolarHBondContact O-N 2.7Å; E4-H6 IonicContact OE1-CE1 3.24Å; E4-H6 PolarHBondContact OE1-CE1 3.15Å; E4-H6 VanDerWaalsContact OE1-CE1 3.24Å; E4-H6 IonicContact OE1-NE2 3.79Å
5	C	78.6	Confident	81.3	Confident	82 Å²	82	120.7 Å²	120.7	55%	0.554	65%	0.654	S	S	*	*			trans	-105.2	122.9	-179.3	-64.9	0	0	0	0	109.7	T3 Y7	T3-C5 PolarHBondContact O-N 3.5Å; C5-Y7 HydrophobicContact CB-CE2 4.09Å
6	H	79.3	Confident	82	Confident	73 Å²	73	121.4 Å²	121.4	34%	0.338	65%	0.652	S	S	.	*			trans	-107.1	125.8	174.3	-58.9	-66.8	0	0	0	110.2	E4 F8	E4-H6 IonicContact OE1-CE1 3.24Å; E4-H6 PolarHBondContact OE1-CE1 3.15Å; E4-H6 VanDerWaalsContact OE1-CE1 3.24Å; E4-H6 IonicContact OE1-NE2 3.79Å; H6-F8 HydrophobicContact CB-CD2 4.46Å; H6-F8 HydrophobicContact CB-CE2 3.59Å; H6-F8 HydrophobicContact CB-CZ 4.03Å
7	Y	82	Confident	82.5	Confident	203 Å²	203	118.4 Å²	118.4	80%	0.796	63%	0.632	S	S	*	*			trans	-104.6	137	176.3	-62.4	-84.8	0	0	0	110	C5	C5-Y7 HydrophobicContact CB-CE2 4.09Å
8	F	84.6	Confident	82.9	Confident	90 Å²	90	114.6 Å²	114.6	40%	0.395	61%	0.614	S	S	.	*			trans	-128.9	134.1	177.3	-58.8	-94.5	0	0	0	108.9	H6 T21 V25	H6-F8 HydrophobicContact CB-CD2 4.46Å; H6-F8 HydrophobicContact CB-CE2 3.59Å; H6-F8 HydrophobicContact CB-CZ 4.03Å; F8-T21 HydrophobicContact CB-CG2 3.61Å; F8-T21 HydrophobicContact CD1-CG2 4.23Å; F8-T21 HydrophobicContact CG-CG2 4.17Å; F8-V25 HydrophobicContact CB-CG2 4.29Å; F8-V25 HydrophobicContact CD1-CG2 3.99Å; F8-V25 HydrophobicContact CD2-CB 4.42Å; F8-V25 HydrophobicContact CD2-CG2 3.32Å; F8-V25 HydrophobicContact CE1-CG2 4.09Å; F8-V25 HydrophobicContact CE2-CB 4.12Å; F8-V25 HydrophobicContact CE2-CG1 4.17Å; F8-V25 HydrophobicContact CE2-CG2 3.43Å; F8-V25 VanDerWaalsContact CE2-CG2 3.43Å; F8-V25 HydrophobicContact CG-CG2 3.6Å; F8-V25 HydrophobicContact CZ-CB 4.41Å; F8-V25 HydrophobicContact CZ-CG2 3.83Å
9	I	86.9	Confident	83.3	Confident	167 Å²	167	116.4 Å²	116.4	86%	0.856	61%	0.613	S	S	*	*			trans	-117.4	128.5	178	-56.5	172.9	0	0	0	106.4
10	C	88.5	Confident	83.7	Confident	38 Å²	38	116.8 Å²	116.8	26%	0.257	61%	0.611	S	S	.	*			trans	-145.8	153.7	173.7	59.7	0	0	0	0	110	V12 E17 T21	C10-V12 PolarHBondContact O-N 3.37Å; C10-E17 VanDerWaalsContact CA-OE1 3.27Å; C10-E17 WeakPolarHBondContact CA-OE1 3.21Å; C10-E17 HydrophobicContact CB-CG 3.91Å; C10-E17 WeakPolarHBondContact CB-OE1 3.38Å; C10-T21 HydrophobicContact CB-CG2 4.41Å
11	D	91	Very high	84	Confident	95 Å²	95	112.5 Å²	112.5	51%	0.508	59%	0.59	S	S	.	*			trans	-72.9	114.8	172.6	-175.6	-0.6	0	0	0	110.4	G13 N14 E17	D11-G13 PolarHBondContact O-N 3.33Å; D11-G13 PolarHBondContact OD1-N 3.19Å; D11-N14 HydrophobicContact CB-CB 4.19Å; D11-N14 PolarHBondContact O-N 2.97Å; D11-E17 PolarHBondContact N-OE1 3.49Å
12	V	89	Confident	85.6	Confident	129 Å²	129	103 Å²	103	78%	0.782	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.1	178.3	-63	0	0	0	0	113.2	C10 N14	C10-V12 PolarHBondContact O-N 3.37Å; V12-N14 VanDerWaalsContact C-N 3.29Å
13	G	92.9	Very high	86.6	Confident	66 Å²	66	106.2 Å²	106.2	68%	0.68	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.8	172.1	0	0	0	0	0	112.9	D11	D11-G13 PolarHBondContact O-N 3.33Å; D11-G13 PolarHBondContact OD1-N 3.19Å
14	N	90.4	Very high	87.3	Confident	67 Å²	67	102.3 Å²	102.3	36%	0.358	52%	0.521	S	S	.	.			trans	-98.4	92.1	178.1	-171.5	6.4	0	0	0	111.3	D11 V12 E16 E17 V18	D11-N14 HydrophobicContact CB-CB 4.19Å; D11-N14 PolarHBondContact O-N 2.97Å; V12-N14 VanDerWaalsContact C-N 3.29Å; N14-E16 PolarHBondContact O-N 2.72Å; N14-E16 VanDerWaalsContact O-N 3.12Å; N14-E17 HydrophobicContact CB-CB 4.11Å; N14-E17 PolarHBondContact ND2-OE2 3.16Å; N14-E17 PolarHBondContact O-N 3.38Å; N14-E17 VanDerWaalsContact O-N 3.09Å; N14-V18 PolarHBondContact O-N 3.34Å
15	R	88.3	Confident	87.7	Confident	187 Å²	187	96.9 Å²	96.9	71%	0.706	50%	0.499	S	S	*	.	H	α-helix	trans	-55.5	-35.4	-174.3	-163.8	177.9	75.2	162.4	2	113.6	Y19	R15-Y19 HydrophobicContact CG-CD2 3.96Å; R15-Y19 HydrophobicContact CG-CE2 3.52Å; R15-Y19 WeakPolarHBondContact O-CD2 3.31Å; R15-Y19 PolarHBondContact O-N 3.27Å
16	E	92.3	Very high	88	Confident	132 Å²	132	100.9 Å²	100.9	62%	0.617	50%	0.502	S	S	*	.	H	α-helix	trans	-65.6	-43.8	179.5	-178.7	169.1	-126	0	0	112.1	N14 V18 Y19 Q20	N14-E16 PolarHBondContact O-N 2.72Å; N14-E16 VanDerWaalsContact O-N 3.12Å; E16-V18 PolarHBondContact O-N 3.48Å; E16-Y19 PolarHBondContact O-N 3.24Å; E16-Q20 WeakPolarHBondContact O-CG 3.1Å; E16-Q20 PolarHBondContact O-N 3.07Å
17	E	90.6	Very high	88.2	Confident	69 Å²	69	104.9 Å²	104.9	32%	0.322	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-39.1	-179.1	-167.6	-175	153.9	0	0	111.8	C10 D11 N14 Y19 Q20 T21	C10-E17 VanDerWaalsContact CA-OE1 3.27Å; C10-E17 WeakPolarHBondContact CA-OE1 3.21Å; C10-E17 HydrophobicContact CB-CG 3.91Å; C10-E17 WeakPolarHBondContact CB-OE1 3.38Å; D11-E17 PolarHBondContact N-OE1 3.49Å; N14-E17 HydrophobicContact CB-CB 4.11Å; N14-E17 PolarHBondContact ND2-OE2 3.16Å; N14-E17 PolarHBondContact O-N 3.38Å; N14-E17 VanDerWaalsContact O-N 3.09Å; E17-Y19 PolarHBondContact O-N 2.89Å; E17-Q20 PolarHBondContact O-N 3.28Å; E17-T21 VanDerWaalsContact O-CB 3.3Å; E17-T21 WeakPolarHBondContact O-CB 3.42Å; E17-T21 PolarHBondContact O-N 2.98Å; E17-T21 PolarHBondContact O-OG1 3Å
18	V	90.3	Very high	88.1	Confident	50 Å²	50	102 Å²	102	30%	0.303	51%	0.513	S	S	.	.	H	α-helix	trans	-59.5	-46.5	174.1	175.8	0	0	0	0	110.9	N14 E16 T21 A22	N14-V18 PolarHBondContact O-N 3.34Å; E16-V18 PolarHBondContact O-N 3.48Å; V18-T21 PolarHBondContact O-N 3.32Å; V18-A22 VanDerWaalsContact O-CB 3.29Å; V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.12Å
19	Y	90.4	Very high	87.8	Confident	150 Å²	150	101.8 Å²	101.8	59%	0.588	52%	0.519	S	S	*	.	H	α-helix	trans	-66.2	-40.6	179.3	-78	-60.7	0	0	0	112.7	R15 E16 E17 K23	R15-Y19 HydrophobicContact CG-CD2 3.96Å; R15-Y19 HydrophobicContact CG-CE2 3.52Å; R15-Y19 WeakPolarHBondContact O-CD2 3.31Å; R15-Y19 PolarHBondContact O-N 3.27Å; E16-Y19 PolarHBondContact O-N 3.24Å; E17-Y19 PolarHBondContact O-N 2.89Å; Y19-K23 WeakPolarHBondContact O-CB 3.37Å; Y19-K23 PolarHBondContact O-N 3.31Å
20	Q	91.7	Very high	87	Confident	123 Å²	123	97.6 Å²	97.6	58%	0.575	50%	0.504	S	S	*	.	H	α-helix	trans	-65	-44.6	176.6	-71.1	-172.7	23.7	0	0	111.6	E16 E17 A22 K23 A24	E16-Q20 WeakPolarHBondContact O-CG 3.1Å; E16-Q20 PolarHBondContact O-N 3.07Å; E17-Q20 PolarHBondContact O-N 3.28Å; Q20-A22 PolarHBondContact O-N 2.84Å; Q20-K23 WeakPolarHBondContact O-CB 3.39Å; Q20-K23 PolarHBondContact O-N 3.3Å; Q20-A24 PolarHBondContact O-N 3.07Å
21	T	88.8	Confident	85.6	Confident	28 Å²	28	103.8 Å²	103.8	17%	0.172	53%	0.53	C	S	.	.	H	α-helix	trans	-62.6	-45	178.2	-58.7	0	0	0	0	110.9	F8 C10 E17 V18 K23 A24 V25	F8-T21 HydrophobicContact CB-CG2 3.61Å; F8-T21 HydrophobicContact CD1-CG2 4.23Å; F8-T21 HydrophobicContact CG-CG2 4.17Å; C10-T21 HydrophobicContact CB-CG2 4.41Å; E17-T21 VanDerWaalsContact O-CB 3.3Å; E17-T21 WeakPolarHBondContact O-CB 3.42Å; E17-T21 PolarHBondContact O-N 2.98Å; E17-T21 PolarHBondContact O-OG1 3Å; V18-T21 PolarHBondContact O-N 3.32Å; T21-K23 VanDerWaalsContact C-N 3.3Å; T21-K23 PolarHBondContact O-N 2.76Å; T21-A24 PolarHBondContact O-N 2.84Å; T21-V25 HydrophobicContact CG2-CG2 4.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.29Å; T21-V25 PolarHBondContact O-N 3.43Å
22	A	86.8	Confident	83.6	Confident	44 Å²	44	105 Å²	105	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-61	-37.9	176.3	0	0	0	0	0	112.6	V18 Q20 R26	V18-A22 VanDerWaalsContact O-CB 3.29Å; V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.12Å; Q20-A22 PolarHBondContact O-N 2.84Å; A22-R26 WeakPolarHBondContact O-CG 3.34Å; A22-R26 PolarHBondContact O-N 2.84Å
23	K	87	Confident	81.8	Confident	149 Å²	149	105.8 Å²	105.8	65%	0.648	54%	0.542	S	S	*	.	H	α-helix	trans	-64.1	-46.3	174	-175.9	-176.7	176.2	-173.6	0	111.3	Y19 Q20 T21 V25 R26 E27	Y19-K23 WeakPolarHBondContact O-CB 3.37Å; Y19-K23 PolarHBondContact O-N 3.31Å; Q20-K23 WeakPolarHBondContact O-CB 3.39Å; Q20-K23 PolarHBondContact O-N 3.3Å; T21-K23 VanDerWaalsContact C-N 3.3Å; T21-K23 PolarHBondContact O-N 2.76Å; K23-V25 PolarHBondContact O-N 3.23Å; K23-R26 PolarHBondContact O-N 2.98Å; K23-E27 PolarHBondContact O-N 2.69Å
24	A	85.9	Confident	79.4	Confident	46 Å²	46	107 Å²	107	38%	0.38	54%	0.54	S	S	.	.	H	α-helix	trans	-62.8	-41.5	178.5	0	0	0	0	0	112.1	Q20 T21 R26 E27 K28	Q20-A24 PolarHBondContact O-N 3.07Å; T21-A24 PolarHBondContact O-N 2.84Å; A24-R26 PolarHBondContact O-N 2.88Å; A24-E27 PolarHBondContact O-N 2.67Å; A24-K28 WeakPolarHBondContact O-CB 3.44Å; A24-K28 PolarHBondContact O-N 2.86Å
25	V	86.6	Confident	77.4	Confident	46 Å²	46	110 Å²	110	28%	0.279	56%	0.563	S	S	.	*	H	α-helix	trans	-60	-46.5	174.8	177.4	0	0	0	0	110.6	F8 T21 K23 E27 K28 V29	F8-V25 HydrophobicContact CB-CG2 4.29Å; F8-V25 HydrophobicContact CD1-CG2 3.99Å; F8-V25 HydrophobicContact CD2-CB 4.42Å; F8-V25 HydrophobicContact CD2-CG2 3.32Å; F8-V25 HydrophobicContact CE1-CG2 4.09Å; F8-V25 HydrophobicContact CE2-CB 4.12Å; F8-V25 HydrophobicContact CE2-CG1 4.17Å; F8-V25 HydrophobicContact CE2-CG2 3.43Å; F8-V25 VanDerWaalsContact CE2-CG2 3.43Å; F8-V25 HydrophobicContact CG-CG2 3.6Å; F8-V25 HydrophobicContact CZ-CB 4.41Å; F8-V25 HydrophobicContact CZ-CG2 3.83Å; T21-V25 HydrophobicContact CG2-CG2 4.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.29Å; T21-V25 PolarHBondContact O-N 3.43Å; K23-V25 PolarHBondContact O-N 3.23Å; V25-E27 PolarHBondContact O-N 3.46Å; V25-K28 PolarHBondContact O-N 2.89Å; V25-V29 HydrophobicContact CG1-CG2 4.13Å; V25-V29 WeakPolarHBondContact O-CB 3.46Å; V25-V29 WeakPolarHBondContact O-CG2 3.27Å; V25-V29 PolarHBondContact O-N 2.85Å
26	R	84.9	Confident	75.2	Confident	166 Å²	166	106.6 Å²	106.6	63%	0.626	56%	0.563	S	S	*	*	H	α-helix	trans	-59.4	-46.2	177.4	-76	175.5	-177.7	-126.2	1	111.1	A22 K23 A24 K28 S30	A22-R26 WeakPolarHBondContact O-CG 3.34Å; A22-R26 PolarHBondContact O-N 2.84Å; K23-R26 PolarHBondContact O-N 2.98Å; A24-R26 PolarHBondContact O-N 2.88Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.33Å; R26-S30 WeakPolarHBondContact O-CA 3.3Å; R26-S30 WeakPolarHBondContact O-CB 3.35Å; R26-S30 PolarHBondContact O-N 2.59Å; R26-S30 PolarHBondContact O-OG 3.26Å
27	E	84.1	Confident	72.9	Confident	157 Å²	157	108.6 Å²	108.6	73%	0.734	57%	0.572	S	S	*	*	H	α-helix	trans	-63.2	-38.7	178	-170.5	-179.9	107.2	0	0	112.2	K23 A24 V25	K23-E27 PolarHBondContact O-N 2.69Å; A24-E27 PolarHBondContact O-N 2.67Å; V25-E27 PolarHBondContact O-N 3.46Å
28	K	79.6	Confident	70.9	Confident	142 Å²	142	110.9 Å²	110.9	62%	0.617	60%	0.603	S	S	*	*	H	α-helix	trans	-75.5	-36.4	-176.2	-156.7	72.1	176.1	-177.3	0	113.5	A24 V25 R26	A24-K28 WeakPolarHBondContact O-CB 3.44Å; A24-K28 PolarHBondContact O-N 2.86Å; V25-K28 PolarHBondContact O-N 2.89Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.33Å
29	V	77	Confident	68.5	Low	86 Å²	86	111.8 Å²	111.8	52%	0.521	62%	0.623	S	S	.	*	H	α-helix	trans	-99.5	-24.4	-173.8	-176.1	0	0	0	0	112.1	V25 Q31	V25-V29 HydrophobicContact CG1-CG2 4.13Å; V25-V29 WeakPolarHBondContact O-CB 3.46Å; V25-V29 WeakPolarHBondContact O-CG2 3.27Å; V25-V29 PolarHBondContact O-N 2.85Å; V29-Q31 VanDerWaalsContact C-N 3.29Å; V29-Q31 PolarHBondContact O-N 2.81Å
30	S	70.5	Confident	66.5	Low	79 Å²	79	113.2 Å²	113.2	55%	0.552	64%	0.641	S	S	*	*			trans	-70.9	91.8	171.9	-53.3	0	0	0	0	108.2	R26	R26-S30 WeakPolarHBondContact O-CA 3.3Å; R26-S30 WeakPolarHBondContact O-CB 3.35Å; R26-S30 PolarHBondContact O-N 2.59Å; R26-S30 PolarHBondContact O-OG 3.26Å
31	Q	60	Low	64.1	Low	169 Å²	169	110.7 Å²	110.7	79%	0.79	65%	0.647	S	S	*	*			trans	-56.1	137.3	161.9	-63.8	-177.7	-4.4	0	0	107.4	V29 L33	V29-Q31 VanDerWaalsContact C-N 3.29Å; V29-Q31 PolarHBondContact O-N 2.81Å; Q31-L33 PolarHBondContact O-N 2.91Å
32	P	49.1	Very low	61.7	Low	120 Å²	120	112.8 Å²	112.8	78%	0.779	67%	0.674	S	S	*	*			trans	-57.2	118.1	169.3	25	-30.9	0	0	0	106	S34	P32-S34 PolarHBondContact O-N 3.49Å
33	L	50	Low	60.6	Low	146 Å²	146	116.9 Å²	116.9	76%	0.764	70%	0.697	S	S	*	*			trans	-51	111.6	167.2	-70	168	0	0	0	105.6	Q31 P35 A51	Q31-L33 PolarHBondContact O-N 2.91Å; L33-P35 WeakPolarHBondContact O-CD 2.97Å; L33-A51 HydrophobicContact CD1-CB 3.91Å
34	S	43.4	Very low	58.6	Low	92 Å²	92	118.7 Å²	118.7	64%	0.643	71%	0.708	S	S	*	*			trans	-54.7	123.9	174.5	45	0	0	0	0	107.3	P32 T36	P32-S34 PolarHBondContact O-N 3.49Å; S34-T36 VanDerWaalsContact C-N 3.26Å; S34-T36 PolarHBondContact O-N 3.36Å
35	P	49.1	Very low	57	Low	130 Å²	130	124.6 Å²	124.6	84%	0.844	73%	0.733	S	S	*	*			trans	-72.6	87.3	177.8	28.6	-31.3	0	0	0	108	L33 E37	L33-P35 WeakPolarHBondContact O-CD 2.97Å; P35-E37 VanDerWaalsContact C-N 3.31Å; P35-E37 PolarHBondContact O-N 2.88Å; P35-E37 VanDerWaalsContact O-N 3.07Å
36	T	42	Very low	55.3	Low	114 Å²	114	127.6 Å²	127.6	70%	0.699	76%	0.756	S	S	*	*			trans	-79.8	91.4	168	-60.6	0	0	0	0	108.1	S34	S34-T36 VanDerWaalsContact C-N 3.26Å; S34-T36 PolarHBondContact O-N 3.36Å
37	E	43.1	Very low	53.4	Low	174 Å²	174	123.8 Å²	123.8	81%	0.813	77%	0.769	S	S	*	*			trans	62	96	139.4	-52.1	-163.3	107.6	0	0	118	P35 G39	P35-E37 VanDerWaalsContact C-N 3.31Å; P35-E37 PolarHBondContact O-N 2.88Å; P35-E37 VanDerWaalsContact O-N 3.07Å; E37-G39 PolarHBondContact O-N 3.18Å; E37-G39 VanDerWaalsContact O-N 3.12Å
38	A	47.6	Very low	51.6	Low	117 Å²	117	121.4 Å²	121.4	97%	0.967	77%	0.77	S	S	*	*			trans	-72.8	88.5	156.6	0	0	0	0	0	109.4
39	G	41.7	Very low	49.8	Very low	70 Å²	70	120.5 Å²	120.5	72%	0.722	78%	0.78	S	S	*	*			trans	-95.2	122.3	170.6	0	0	0	0	0	111.4	E37 G41	E37-G39 PolarHBondContact O-N 3.18Å; E37-G39 VanDerWaalsContact O-N 3.12Å; G39-G41 PolarHBondContact O-N 2.93Å
40	D	48.3	Very low	48.2	Very low	180 Å²	180	120 Å²	120	96%	0.963	79%	0.785	S	S	*	*			trans	-68.6	113.8	170	-168.4	-95.8	0	0	0	109.4
41	G	40.5	Very low	47.2	Very low	69 Å²	69	120 Å²	120	71%	0.711	79%	0.789	S	S	*	*			trans	168.5	98.6	174.3	0	0	0	0	0	116.7	G39	G39-G41 PolarHBondContact O-N 2.93Å
42	G	38.5	Very low	46.6	Very low	72 Å²	72	120 Å²	120	74%	0.742	79%	0.789	S	S	*	*			trans	70.3	151.1	144.4	0	0	0	0	0	119.8
43	P	63.2	Low	46.5	Very low	130 Å²	130	120.2 Å²	120.2	84%	0.844	79%	0.791	S	S	*	*			trans	-103.1	89.1	-162.2	37.1	-26	0	0	0	112.4
44	E	45.8	Very low	46.4	Very low	188 Å²	188	116.1 Å²	116.1	88%	0.879	78%	0.784	S	S	*	*			trans	-141.8	122.1	166.7	-66.7	-167.5	101.4	0	0	112.1	S46	E44-S46 PolarHBondContact O-N 3.43Å
45	D	51	Low	46.8	Very low	170 Å²	170	116.4 Å²	116.4	91%	0.909	78%	0.784	S	S	*	*	S	Bend	trans	27	76.4	150.6	-158.3	-114.3	0	0	0	117.7
46	S	53	Low	46.9	Very low	108 Å²	108	115.5 Å²	115.5	76%	0.755	78%	0.778	S	S	*	*			trans	-161.9	102.1	153.5	-159.1	0	0	0	0	108.4	E44 S48	E44-S46 PolarHBondContact O-N 3.43Å; S46-S48 PolarHBondContact O-N 3.31Å
47	G	44.8	Very low	47.3	Very low	87 Å²	87	114.8 Å²	114.8	90%	0.897	78%	0.775	S	S	*	*			trans	-69.1	78.5	-178.9	0	0	0	0	0	111.5	C49	G47-C49 PolarHBondContact O-N 2.99Å
48	S	44.6	Very low	47.8	Very low	107 Å²	107	110.2 Å²	110.2	75%	0.748	76%	0.76	S	S	*	*			trans	-42.2	119.3	175.2	-168.9	0	0	0	0	111.8	S46 A50	S46-S48 PolarHBondContact O-N 3.31Å; S48-A50 PolarHBondContact O-N 3.49Å
49	C	42.6	Very low	48.4	Very low	123 Å²	123	110 Å²	110	83%	0.831	75%	0.749	S	S	*	*			trans	-72.2	78.5	169.2	52.4	0	0	0	0	108.7	G47 A51	G47-C49 PolarHBondContact O-N 2.99Å; C49-A51 PolarHBondContact O-N 3.27Å
50	A	44	Very low	49.1	Very low	76 Å²	76	116.2 Å²	116.2	63%	0.628	76%	0.762	S	S	*	*			trans	-48.9	118.4	158.5	0	0	0	0	0	106.2	S48 Q52	S48-A50 PolarHBondContact O-N 3.49Å; A50-Q52 WeakPolarHBondContact O-CG 3.05Å; A50-Q52 PolarHBondContact O-N 3.05Å
51	A	49.7	Very low	49.4	Very low	78 Å²	78	113.6 Å²	113.6	65%	0.645	75%	0.748	S	S	*	*			trans	-60.2	90.2	178.3	0	0	0	0	0	107.6	L33 C49	L33-A51 HydrophobicContact CD1-CB 3.91Å; C49-A51 PolarHBondContact O-N 3.27Å
52	Q	45.8	Very low	49.7	Very low	169 Å²	169	116.1 Å²	116.1	79%	0.79	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-60.3	134.3	174.1	-59.2	-168.4	-67.1	0	0	105.3	A50 G54	A50-Q52 WeakPolarHBondContact O-CG 3.05Å; A50-Q52 PolarHBondContact O-N 3.05Å; Q52-G54 PolarHBondContact O-N 3.49Å
53	P	47.5	Very low	50.4	Low	125 Å²	125	117.7 Å²	117.7	81%	0.812	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-49.3	116.1	166.8	20.2	-29.7	0	0	0	106.1
54	G	47.7	Very low	49.7	Very low	60 Å²	60	115 Å²	115	62%	0.619	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-49.8	140.2	-170.8	0	0	0	0	0	109.1	Q52	Q52-G54 PolarHBondContact O-N 3.49Å
55	P	52.8	Low	50.2	Low	98 Å²	98	111.1 Å²	111.1	64%	0.636	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-50.1	139.8	-173.1	20.1	-32.1	0	0	0	109.7
56	P	50.5	Low	50.3	Low	111 Å²	111	112.4 Å²	112.4	72%	0.721	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-51.1	139.1	177.1	22.5	-32.8	0	0	0	108.6
57	P	51.1	Low	50.2	Low	99 Å²	99	112.6 Å²	112.6	64%	0.643	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-53.2	133.5	-178.8	22.8	-32.5	0	0	0	108.8
58	P	54.3	Low	50.6	Low	78 Å²	78	114.3 Å²	114.3	51%	0.506	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-59.1	144.1	-176.6	23.9	-32.6	0	0	0	109.6	M60	P58-M60 PolarHBondContact O-N 2.97Å
59	P	58.1	Low	51.2	Low	113 Å²	113	115.9 Å²	115.9	73%	0.734	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-56.1	132.5	170.7	24.4	-31.6	0	0	0	108.3	D61	P59-D61 PolarHBondContact O-N 2.9Å
60	M	56.4	Low	51.9	Low	200 Å²	200	118.4 Å²	118.4	99%	0.985	68%	0.683	S	S	*	*	S	Bend	trans	-70.6	11.4	-172.6	-136.6	154.4	177	0	0	113.6	P58	P58-M60 PolarHBondContact O-N 2.97Å
61	D	55.9	Low	52.3	Low	124 Å²	124	120.3 Å²	120.3	66%	0.663	68%	0.679	S	S	*	*	S	Bend	trans	-98.5	113.4	177.3	178.1	-104.2	0	0	0	108.3	P59	P59-D61 PolarHBondContact O-N 2.9Å
62	N	47.3	Very low	52.4	Low	122 Å²	122	119.8 Å²	119.8	65%	0.652	67%	0.667	S	S	*	*			trans	71.7	90.8	-179	-63.8	-73.5	0	0	0	115.3	C64	N62-C64 PolarHBondContact O-N 3.29Å
63	A	51.6	Low	52.5	Low	106 Å²	106	117.3 Å²	117.3	88%	0.876	67%	0.669	S	S	*	*			trans	-54.8	77.9	150.4	0	0	0	0	0	109.6	P65	A63-P65 VanDerWaalsContact O-CD 3.31Å; A63-P65 WeakPolarHBondContact O-CD 3.47Å
64	C	49.5	Very low	52.8	Low	74 Å²	74	118 Å²	118	50%	0.5	67%	0.671	S	S	.	*			trans	-69.6	118.2	173.2	-105.7	0	0	0	0	107.1	N62 R66 Y67	N62-C64 PolarHBondContact O-N 3.29Å; C64-R66 PolarHBondContact O-N 2.84Å; C64-Y67 PolarHBondContact O-N 3.37Å
65	P	56.5	Low	52.9	Low	106 Å²	106	118 Å²	118	69%	0.688	67%	0.672	S	S	*	*	H	α-helix	trans	-56.9	-21.6	177.6	18.9	-29.8	0	0	0	112.8	A63 Y67 L68 E69	A63-P65 VanDerWaalsContact O-CD 3.31Å; A63-P65 WeakPolarHBondContact O-CD 3.47Å; P65-Y67 VanDerWaalsContact C-N 3.3Å; P65-Y67 PolarHBondContact O-N 3.04Å; P65-L68 PolarHBondContact O-N 3.29Å; P65-E69 PolarHBondContact O-N 3.24Å
66	R	53	Low	52.8	Low	196 Å²	196	119.4 Å²	119.4	74%	0.74	68%	0.682	S	S	*	*	H	α-helix	trans	-63.6	-27.1	172.7	-65.3	-70.5	-168	91.8	2.1	114.3	C64 K70	C64-R66 PolarHBondContact O-N 2.84Å; R66-K70 PolarHBondContact O-N 3.28Å
67	Y	51	Low	52.7	Low	113 Å²	113	120.9 Å²	120.9	44%	0.443	69%	0.689	S	S	.	*	H	α-helix	trans	-76.3	-38.8	177.3	-170.9	-94.7	0	0	0	111.1	C64 P65 K70 H71	C64-Y67 PolarHBondContact O-N 3.37Å; P65-Y67 VanDerWaalsContact C-N 3.3Å; P65-Y67 PolarHBondContact O-N 3.04Å; Y67-K70 PolarHBondContact O-N 3.38Å; Y67-H71 AromaticContact CZ-CD2 3.97Å; Y67-H71 PolarHBondContact O-N 3.09Å
68	L	53.6	Low	52.7	Low	122 Å²	122	128.5 Å²	128.5	64%	0.639	71%	0.705	S	S	*	*	H	α-helix	trans	-65.2	-44.9	174.7	-164	64.5	0	0	0	109.9	P65 K70 H71 T72	P65-L68 PolarHBondContact O-N 3.29Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 3.49Å; L68-H71 CarbonylContact O-C 3.56Å; L68-H71 PolarHBondContact O-N 3.48Å; L68-H71 VanDerWaalsContact O-N 3.16Å; L68-T72 HydrophobicContact CD1-CG2 4.09Å; L68-T72 HydrophobicContact CG-CG2 3.85Å; L68-T72 WeakPolarHBondContact O-CB 3.45Å; L68-T72 WeakPolarHBondContact O-CG2 3.5Å; L68-T72 PolarHBondContact O-N 3.03Å; L68-T72 PolarHBondContact O-OG1 3.26Å
69	E	56.4	Low	52.1	Low	141 Å²	141	128.2 Å²	128.2	66%	0.659	72%	0.716	S	S	*	*	H	α-helix	trans	-62.9	-33.1	179.4	-162.7	166	85.6	0	0	113.7	P65 T72	P65-E69 PolarHBondContact O-N 3.24Å; E69-T72 PolarHBondContact O-OG1 2.88Å
70	K	56.2	Low	51.2	Low	176 Å²	176	130.2 Å²	130.2	77%	0.765	72%	0.721	S	S	*	*	H	α-helix	trans	-77	-22.4	177.8	-159.8	-176.2	-179.7	-154.3	0	113.5	R66 Y67 L68	R66-K70 PolarHBondContact O-N 3.28Å; Y67-K70 PolarHBondContact O-N 3.38Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 3.49Å
71	H	54.3	Low	51.4	Low	116 Å²	116	129.5 Å²	129.5	54%	0.537	73%	0.731	S	S	.	*	H	α-helix	trans	-117.5	-5.2	-176.2	-74.9	-85.9	0	0	0	114.3	Y67 L68 S73	Y67-H71 AromaticContact CZ-CD2 3.97Å; Y67-H71 PolarHBondContact O-N 3.09Å; L68-H71 CarbonylContact O-C 3.56Å; L68-H71 PolarHBondContact O-N 3.48Å; L68-H71 VanDerWaalsContact O-N 3.16Å; H71-S73 PolarHBondContact O-N 3.12Å
72	T	50.2	Low	51.2	Low	66 Å²	66	129.8 Å²	129.8	41%	0.405	74%	0.735	S	S	.	*	S	Bend	trans	-72.4	105.5	160.3	49.1	0	0	0	0	106.8	L68 E69 T74	L68-T72 HydrophobicContact CD1-CG2 4.09Å; L68-T72 HydrophobicContact CG-CG2 3.85Å; L68-T72 WeakPolarHBondContact O-CB 3.45Å; L68-T72 WeakPolarHBondContact O-CG2 3.5Å; L68-T72 PolarHBondContact O-N 3.03Å; L68-T72 PolarHBondContact O-OG1 3.26Å; E69-T72 PolarHBondContact O-OG1 2.88Å; T72-T74 VanDerWaalsContact C-N 3.26Å; T72-T74 PolarHBondContact O-N 3.21Å; T72-T74 PolarHBondContact O-OG1 3.03Å
73	S	48.3	Very low	51.4	Low	118 Å²	118	130.2 Å²	130.2	83%	0.825	74%	0.739	S	S	*	*			trans	-48.6	90.1	172.7	-74.5	0	0	0	0	111.1	H71 G75	H71-S73 PolarHBondContact O-N 3.12Å; S73-G75 VanDerWaalsContact C-N 3.3Å; S73-G75 PolarHBondContact O-N 3.45Å; S73-G75 VanDerWaalsContact O-N 3.15Å
74	T	53.9	Low	51.4	Low	138 Å²	138	131.6 Å²	131.6	85%	0.847	73%	0.731	S	S	*	*			trans	-78.5	90.8	160.2	-55.2	0	0	0	0	105	T72	T72-T74 VanDerWaalsContact C-N 3.26Å; T72-T74 PolarHBondContact O-N 3.21Å; T72-T74 PolarHBondContact O-OG1 3.03Å
75	G	49.8	Very low	51.5	Low	62 Å²	62	134.9 Å²	134.9	64%	0.639	75%	0.745	S	S	*	*			trans	177.7	29	-176	0	0	0	0	0	116	S73	S73-G75 VanDerWaalsContact C-N 3.3Å; S73-G75 PolarHBondContact O-N 3.45Å; S73-G75 VanDerWaalsContact O-N 3.15Å
76	C	51.1	Low	51.2	Low	127 Å²	127	136.8 Å²	136.8	86%	0.858	75%	0.749	S	S	*	*			trans	-105.6	75.6	162.1	-68.9	0	0	0	0	109.4
77	T	48.3	Very low	51.1	Low	141 Å²	141	132.8 Å²	132.8	87%	0.865	75%	0.749	S	S	*	*			trans	-115.3	84.9	156.5	51.4	0	0	0	0	107.7
78	R	49.9	Very low	51.1	Low	259 Å²	259	134.2 Å²	134.2	98%	0.977	77%	0.771	S	S	*	*			trans	-91.8	117.8	159.6	-175.4	-178.1	-169.4	-179.2	4.3	106.9
79	G	42.8	Very low	50.9	Low	72 Å²	72	135.2 Å²	135.2	74%	0.742	78%	0.781	S	S	*	*			trans	158.7	77.3	169.2	0	0	0	0	0	112.1
80	D	38.3	Very low	50.4	Low	155 Å²	155	134.7 Å²	134.7	83%	0.829	79%	0.791	S	S	*	*			trans	-131.3	124.9	160.2	-163.4	-100.6	0	0	0	107.5
81	P	61.8	Low	49.9	Very low	186 Å²	186	130.9 Å²	130.9	100%	1.208	79%	0.794	S	S	*	*			trans	-113.4	0	139.3	34.8	-31.4	0	0	0	112.6

Retrieved 81 of 81 residues in 45.5 ms (Link to these results)

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