X5D7U4_HUMAN Loading...

Glutathione S-transferase mu 1 isoform A

AlphaFold DB , UniProt , Accession X5D7U4, Species HUMAN (Homo sapiens, Human), Gene GSTM1, Length 83 aa.

						>X5D7U4_HUMAN|X5D7U4|GSTM1
MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDGNGTLVFGLCPLTLSWHQATHGGHLWLPLQASPAGAAGCLFPEPRS
					

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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	69.8	Low	70.1	Confident	233 Å²	233	105.5 Å²	105.5	100%	1.148	52%	0.52	S	S	*	.				0	112	0	-122.3	101	91.7	0	0	106.8
2	P	65.8	Low	70.2	Confident	73 Å²	73	101.6 Å²	101.6	47%	0.474	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-66.8	135.6	176	28.1	-32	0	0	0	109.3	S27 E29	P2-S27 WeakPolarHBondContact CA-O 3.42Å; P2-E29 HydrophobicContact CB-CG 4.49Å
3	M	73.1	Confident	70.3	Confident	143 Å²	143	102.3 Å²	102.3	70%	0.704	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	119	178.8	-170.2	169.4	-88.9	0	0	108.1	S27 Y28 E29	M3-S27 PolarHBondContact N-O 3.49Å; M3-Y28 WeakPolarHBondContact O-CA 3.03Å; M3-Y28 WeakPolarHBondContact O-CB 3.34Å; M3-E29 PolarHBondContact O-N 2.79Å; M3-E29 VanDerWaalsContact O-N 3.12Å
4	I	74.8	Confident	70.5	Confident	93 Å²	93	95.5 Å²	95.5	48%	0.477	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.8	179.3	-59.5	170.1	0	0	0	108.3	E29 K31	I4-E29 HydrophobicContact CG1-CB 4.37Å; I4-K31 HydrophobicContact CG2-CB 4.47Å; I4-K31 HydrophobicContact CG2-CD 4.1Å; I4-K31 HydrophobicContact CG2-CG 4.17Å
5	L	72.7	Confident	71	Confident	56 Å²	56	97.5 Å²	97.5	29%	0.293	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	102.2	176.9	-169.6	62.8	0	0	0	110.5	I17 L21 Y28 E29 K31	L5-I17 HydrophobicContact CD2-CG2 3.21Å; L5-I17 HydrophobicContact CG-CG2 4.35Å; L5-L21 HydrophobicContact CD2-CD1 3.22Å; L5-L21 HydrophobicContact CD2-CD2 4.25Å; L5-L21 HydrophobicContact CD2-CG 4.27Å; L5-Y28 HydrophobicContact CB-CD2 4.32Å; L5-E29 PolarHBondContact N-O 3.13Å; L5-K31 PolarHBondContact O-N 2.67Å
6	G	74.9	Confident	71.7	Confident	44 Å²	44	95.1 Å²	95.1	45%	0.454	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.9	173.5	0	0	0	0	0	111.2	K31	G6-K31 VanDerWaalsContact CA-O 3.31Å; G6-K31 WeakPolarHBondContact CA-O 3.42Å
7	Y	70.9	Confident	72.2	Confident	13 Å²	13	92.4 Å²	92.4	5%	0.051	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.6	177.5	90.3	-89.3	0	0	0	111.9	A14 R18 K31 K32 Y33	Y7-A14 HydrophobicContact CD2-CB 3.97Å; Y7-A14 HydrophobicContact CE2-CB 3.21Å; Y7-R18 PolarHBondContact OH-NH2 3.34Å; Y7-K31 PolarHBondContact N-O 2.87Å; Y7-K32 HydrophobicContact CE1-CB 4.5Å; Y7-Y33 PolarHBondContact O-N 3.06Å
8	W	69.4	Low	72.5	Confident	123 Å²	123	93.1 Å²	93.1	47%	0.466	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	141.4	173.1	-89.5	68.1	0	0	0	110.3	I10 Y33 M35	W8-I10 HydrophobicContact CB-CD1 4.06Å; W8-I10 HydrophobicContact CB-CG1 3.67Å; W8-I10 WeakPolarHBondContact O-CG1 3.48Å; W8-I10 PolarHBondContact O-N 3.14Å; W8-Y33 WeakPolarHBondContact CA-O 3.41Å; W8-M35 HydrophobicContact CE3-CB 3.74Å; W8-M35 HydrophobicContact CE3-CE 4.35Å; W8-M35 HydrophobicContact CE3-CG 4.25Å; W8-M35 HydrophobicContact CE3-SD 4.21Å; W8-M35 HydrophobicContact CH2-CB 4.45Å; W8-M35 HydrophobicContact CH2-CE 4.08Å; W8-M35 HydrophobicContact CH2-CG 4.44Å; W8-M35 VanDerWaalsContact CZ3-CA 3.49Å; W8-M35 HydrophobicContact CZ3-CB 3.35Å; W8-M35 HydrophobicContact CZ3-CE 3.5Å; W8-M35 VanDerWaalsContact CZ3-CE 3.5Å; W8-M35 HydrophobicContact CZ3-CG 3.5Å; W8-M35 VanDerWaalsContact CZ3-CG 3.5Å; W8-M35 HydrophobicContact CZ3-SD 3.7Å
9	D	65.3	Low	73.2	Confident	65 Å²	65	93.4 Å²	93.4	35%	0.348	48%	0.484	S	S	.	.			trans	-68.6	48.3	179.4	-161.5	-153.5	0	0	0	114.4	R11 K32 Y33	D9-R11 PolarHBondContact O-N 3.24Å; D9-K32 WeakPolarHBondContact OD1-CE 3.43Å; D9-K32 IonicContact OD1-NZ 2.92Å; D9-K32 PolarHBondContact OD1-NZ 3.41Å; D9-K32 WeakPolarHBondContact OD2-CE 3.32Å; D9-K32 IonicContact OD2-NZ 2.8Å; D9-K32 PolarHBondContact OD2-NZ 3.14Å; D9-Y33 PolarHBondContact N-O 3.06Å; D9-Y33 VanDerWaalsContact N-O 3.14Å
10	I	67.6	Low	73.7	Confident	80 Å²	80	94.4 Å²	94.4	41%	0.41	49%	0.489	S	S	.	.			trans	-79	113.4	174.5	-24.8	-178.5	0	0	0	105.9	W8 G12 L13 A14	W8-I10 HydrophobicContact CB-CD1 4.06Å; W8-I10 HydrophobicContact CB-CG1 3.67Å; W8-I10 WeakPolarHBondContact O-CG1 3.48Å; W8-I10 PolarHBondContact O-N 3.14Å; I10-G12 PolarHBondContact O-N 3.39Å; I10-L13 PolarHBondContact O-N 2.89Å; I10-L13 VanDerWaalsContact O-N 3.13Å; I10-A14 PolarHBondContact O-N 3.36Å
11	R	66.9	Low	74	Confident	238 Å²	238	91 Å²	91	90%	0.898	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-16.4	-168.7	-64.5	-158.4	65.3	-179	-1.8	116.4	D9	D9-R11 PolarHBondContact O-N 3.24Å
12	G	70.9	Confident	74.6	Confident	58 Å²	58	87.3 Å²	87.3	60%	0.598	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-43.2	178.3	0	0	0	0	0	115.4	I10	I10-G12 PolarHBondContact O-N 3.39Å
13	L	72	Confident	75.3	Confident	111 Å²	111	93.6 Å²	93.6	58%	0.581	47%	0.467	S	S	*	.	H	α-helix	trans	-83.2	-32.1	-171.6	-71.9	171.8	0	0	0	112.7	I10 H15 A16 I17	I10-L13 PolarHBondContact O-N 2.89Å; I10-L13 VanDerWaalsContact O-N 3.13Å; L13-H15 PolarHBondContact O-N 3.47Å; L13-A16 PolarHBondContact O-N 3.12Å; L13-I17 HydrophobicContact CB-CD1 4.39Å; L13-I17 WeakPolarHBondContact O-CB 3.48Å; L13-I17 WeakPolarHBondContact O-CD1 3.4Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.13Å; L13-I17 PolarHBondContact O-N 3.42Å; L13-I17 VanDerWaalsContact O-N 3.15Å
14	A	73.4	Confident	75.8	Confident	7 Å²	7	90.8 Å²	90.8	6%	0.058	46%	0.458	C	S	.	.	H	α-helix	trans	-52.5	-40.5	177.1	0	0	0	0	0	112.8	Y7 I10 R18	Y7-A14 HydrophobicContact CD2-CB 3.97Å; Y7-A14 HydrophobicContact CE2-CB 3.21Å; I10-A14 PolarHBondContact O-N 3.36Å; A14-R18 WeakPolarHBondContact O-CG 3.43Å; A14-R18 PolarHBondContact O-N 3.23Å
15	H	77.9	Confident	75.7	Confident	126 Å²	126	93.6 Å²	93.6	58%	0.583	47%	0.474	S	S	*	.	H	α-helix	trans	-73.6	-44.4	-174.3	-168.5	66.3	0	0	0	112.3	L13 I17 R18 L19	L13-H15 PolarHBondContact O-N 3.47Å; H15-I17 VanDerWaalsContact C-N 3.31Å; H15-I17 PolarHBondContact O-N 3.45Å; H15-R18 PolarHBondContact O-N 3.22Å; H15-L19 PolarHBondContact O-N 3.48Å
16	A	81.9	Confident	75.7	Confident	58 Å²	58	93.6 Å²	93.6	48%	0.479	48%	0.479	S	S	.	.	H	α-helix	trans	-64.3	-37.7	177.6	0	0	0	0	0	112.1	L13 L20	L13-A16 PolarHBondContact O-N 3.12Å; A16-L20 PolarHBondContact O-N 3.24Å; A16-L20 VanDerWaalsContact O-N 3.12Å
17	I	80	Confident	75.4	Confident	49 Å²	49	96.1 Å²	96.1	25%	0.251	49%	0.49	S	S	.	.	H	α-helix	trans	-67	-45.5	-179.9	-71.2	170.1	0	0	0	111.3	L5 L13 H15 L19 L20 L21	L5-I17 HydrophobicContact CD2-CG2 3.21Å; L5-I17 HydrophobicContact CG-CG2 4.35Å; L13-I17 HydrophobicContact CB-CD1 4.39Å; L13-I17 WeakPolarHBondContact O-CB 3.48Å; L13-I17 WeakPolarHBondContact O-CD1 3.4Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.13Å; L13-I17 PolarHBondContact O-N 3.42Å; L13-I17 VanDerWaalsContact O-N 3.15Å; H15-I17 VanDerWaalsContact C-N 3.31Å; H15-I17 PolarHBondContact O-N 3.45Å; I17-L19 PolarHBondContact O-N 3.46Å; I17-L20 PolarHBondContact O-N 3.05Å; I17-L21 HydrophobicContact CG2-CD1 3.49Å; I17-L21 VanDerWaalsContact CG2-CD1 3.49Å; I17-L21 WeakPolarHBondContact O-CD1 3.44Å; I17-L21 WeakPolarHBondContact O-CG 3.27Å; I17-L21 PolarHBondContact O-N 3.46Å
18	R	77.5	Confident	75.5	Confident	106 Å²	106	98.2 Å²	98.2	40%	0.4	50%	0.498	S	S	.	.	H	α-helix	trans	-58.6	-45.6	175.8	-76	173.2	174.1	177.4	-3.3	112.6	Y7 A14 H15 L20 L21 E22 E30	Y7-R18 PolarHBondContact OH-NH2 3.34Å; A14-R18 WeakPolarHBondContact O-CG 3.43Å; A14-R18 PolarHBondContact O-N 3.23Å; H15-R18 PolarHBondContact O-N 3.22Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 3.2Å; R18-L21 PolarHBondContact O-N 3.15Å; R18-E22 WeakPolarHBondContact O-CB 3.24Å; R18-E22 PolarHBondContact O-N 3.35Å; R18-E30 IonicContact NE-OE1 3.37Å; R18-E30 PolarHBondContact NE-OE1 2.66Å; R18-E30 IonicContact NH2-OE1 3.89Å
19	L	85.7	Confident	75.7	Confident	98 Å²	98	97.6 Å²	97.6	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-58.6	-43.1	176.3	-80.7	161.9	0	0	0	112.1	H15 I17 Y23	H15-L19 PolarHBondContact O-N 3.48Å; I17-L19 PolarHBondContact O-N 3.46Å; L19-Y23 WeakPolarHBondContact O-CB 3.21Å; L19-Y23 PolarHBondContact O-N 2.97Å
20	L	83.8	Confident	76.1	Confident	113 Å²	113	98.8 Å²	98.8	59%	0.592	50%	0.504	S	S	*	.	H	α-helix	trans	-63.8	-42.5	178	-179.8	62.9	0	0	0	111.6	A16 I17 R18 Y23 T24	A16-L20 PolarHBondContact O-N 3.24Å; A16-L20 VanDerWaalsContact O-N 3.12Å; I17-L20 PolarHBondContact O-N 3.05Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 3.2Å; L20-Y23 WeakPolarHBondContact O-CB 3.21Å; L20-Y23 PolarHBondContact O-N 3.18Å; L20-T24 PolarHBondContact O-N 3.2Å; L20-T24 VanDerWaalsContact O-N 3.14Å; L20-T24 PolarHBondContact O-OG1 2.92Å
21	L	79.5	Confident	76.4	Confident	25 Å²	25	98.2 Å²	98.2	13%	0.131	50%	0.498	C	S	.	.	H	α-helix	trans	-73.2	-37	-176.5	-68.6	144.1	0	0	0	112.8	L5 I17 R18 Y23 T24 D25 Y28	L5-L21 HydrophobicContact CD2-CD1 3.22Å; L5-L21 HydrophobicContact CD2-CD2 4.25Å; L5-L21 HydrophobicContact CD2-CG 4.27Å; I17-L21 HydrophobicContact CG2-CD1 3.49Å; I17-L21 VanDerWaalsContact CG2-CD1 3.49Å; I17-L21 WeakPolarHBondContact O-CD1 3.44Å; I17-L21 WeakPolarHBondContact O-CG 3.27Å; I17-L21 PolarHBondContact O-N 3.46Å; R18-L21 PolarHBondContact O-N 3.15Å; L21-Y23 VanDerWaalsContact C-N 3.3Å; L21-T24 PolarHBondContact O-N 3.44Å; L21-D25 PolarHBondContact O-N 3.28Å; L21-Y28 HydrophobicContact CB-CD1 3.8Å; L21-Y28 HydrophobicContact CB-CE1 3.25Å; L21-Y28 HydrophobicContact CB-CE2 4.02Å; L21-Y28 HydrophobicContact CB-CG 4.45Å; L21-Y28 WeakPolarHBondContact CB-OH 3.46Å; L21-Y28 HydrophobicContact CD1-CD1 4.48Å; L21-Y28 HydrophobicContact CD1-CD2 3.8Å; L21-Y28 HydrophobicContact CD1-CE1 4.18Å; L21-Y28 HydrophobicContact CD1-CE2 3.31Å; L21-Y28 HydrophobicContact CD1-CG 4.35Å; L21-Y28 HydrophobicContact CD2-CD1 3.6Å; L21-Y28 HydrophobicContact CD2-CD2 3.84Å; L21-Y28 HydrophobicContact CD2-CE1 3.96Å; L21-Y28 HydrophobicContact CD2-CE2 4.07Å; L21-Y28 HydrophobicContact CD2-CG 3.57Å; L21-Y28 HydrophobicContact CG-CD1 4.13Å; L21-Y28 HydrophobicContact CG-CD2 4.26Å; L21-Y28 HydrophobicContact CG-CE1 3.96Å; L21-Y28 HydrophobicContact CG-CE2 3.97Å; L21-Y28 HydrophobicContact CG-CG 4.31Å
22	E	81.7	Confident	76.6	Confident	155 Å²	155	91.3 Å²	91.3	72%	0.724	48%	0.475	S	S	*	.	H	α-helix	trans	-61.9	-39.5	171	-168.8	175.6	143	0	0	111.2	R18 T24 D25	R18-E22 WeakPolarHBondContact O-CB 3.24Å; R18-E22 PolarHBondContact O-N 3.35Å; E22-T24 VanDerWaalsContact C-N 3.29Å; E22-T24 PolarHBondContact O-N 2.8Å; E22-D25 PolarHBondContact O-N 3.37Å
23	Y	81.9	Confident	76.4	Confident	204 Å²	204	91.8 Å²	91.8	80%	0.8	46%	0.459	S	S	*	.	H	α-helix	trans	-64.5	-31.9	175.3	176.1	-102.1	0	0	0	113.6	L19 L20 L21	L19-Y23 WeakPolarHBondContact O-CB 3.21Å; L19-Y23 PolarHBondContact O-N 2.97Å; L20-Y23 WeakPolarHBondContact O-CB 3.21Å; L20-Y23 PolarHBondContact O-N 3.18Å; L21-Y23 VanDerWaalsContact C-N 3.3Å
24	T	82.4	Confident	75.9	Confident	84 Å²	84	91.3 Å²	91.3	52%	0.515	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.7	-173.8	-28.6	0	0	0	0	112.8	L20 L21 E22 S26	L20-T24 PolarHBondContact O-N 3.2Å; L20-T24 VanDerWaalsContact O-N 3.14Å; L20-T24 PolarHBondContact O-OG1 2.92Å; L21-T24 PolarHBondContact O-N 3.44Å; E22-T24 VanDerWaalsContact C-N 3.29Å; E22-T24 PolarHBondContact O-N 2.8Å; T24-S26 PolarHBondContact O-N 2.89Å
25	D	73.3	Confident	75.1	Confident	152 Å²	152	95.3 Å²	95.3	81%	0.813	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	27	-172.3	-156.3	-117.4	0	0	0	113.2	L21 E22	L21-D25 PolarHBondContact O-N 3.28Å; E22-D25 PolarHBondContact O-N 3.37Å
26	S	73.7	Confident	73.9	Confident	57 Å²	57	92.3 Å²	92.3	40%	0.399	48%	0.482	S	S	.	.			trans	-79.3	138.6	-171.4	-167.1	0	0	0	0	108.5	T24 Y28	T24-S26 PolarHBondContact O-N 2.89Å; S26-Y28 VanDerWaalsContact O-CD1 3.27Å; S26-Y28 WeakPolarHBondContact O-CD1 3.31Å; S26-Y28 PolarHBondContact O-N 3.12Å
27	S	68	Low	72.1	Confident	96 Å²	96	97.9 Å²	97.9	67%	0.671	50%	0.504	S	S	*	.			trans	-79.3	100.5	172.2	-172.9	0	0	0	0	108.7	P2 M3	P2-S27 WeakPolarHBondContact CA-O 3.42Å; M3-S27 PolarHBondContact N-O 3.49Å
28	Y	73.3	Confident	70.5	Confident	58 Å²	58	97.8 Å²	97.8	23%	0.227	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.2	178.7	71.3	-76.2	0	0	0	110.9	M3 L5 L21 S26 E30	M3-Y28 WeakPolarHBondContact O-CA 3.03Å; M3-Y28 WeakPolarHBondContact O-CB 3.34Å; L5-Y28 HydrophobicContact CB-CD2 4.32Å; L21-Y28 HydrophobicContact CB-CD1 3.8Å; L21-Y28 HydrophobicContact CB-CE1 3.25Å; L21-Y28 HydrophobicContact CB-CE2 4.02Å; L21-Y28 HydrophobicContact CB-CG 4.45Å; L21-Y28 WeakPolarHBondContact CB-OH 3.46Å; L21-Y28 HydrophobicContact CD1-CD1 4.48Å; L21-Y28 HydrophobicContact CD1-CD2 3.8Å; L21-Y28 HydrophobicContact CD1-CE1 4.18Å; L21-Y28 HydrophobicContact CD1-CE2 3.31Å; L21-Y28 HydrophobicContact CD1-CG 4.35Å; L21-Y28 HydrophobicContact CD2-CD1 3.6Å; L21-Y28 HydrophobicContact CD2-CD2 3.84Å; L21-Y28 HydrophobicContact CD2-CE1 3.96Å; L21-Y28 HydrophobicContact CD2-CE2 4.07Å; L21-Y28 HydrophobicContact CD2-CG 3.57Å; L21-Y28 HydrophobicContact CG-CD1 4.13Å; L21-Y28 HydrophobicContact CG-CD2 4.26Å; L21-Y28 HydrophobicContact CG-CE1 3.96Å; L21-Y28 HydrophobicContact CG-CE2 3.97Å; L21-Y28 HydrophobicContact CG-CG 4.31Å; S26-Y28 VanDerWaalsContact O-CD1 3.27Å; S26-Y28 WeakPolarHBondContact O-CD1 3.31Å; S26-Y28 PolarHBondContact O-N 3.12Å; Y28-E30 HydrophobicContact CD2-CG 3.81Å; Y28-E30 HydrophobicContact CE2-CG 3.22Å
29	E	73.4	Confident	69	Low	110 Å²	110	100.3 Å²	100.3	51%	0.514	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121	171.2	-69.8	-172.7	130.1	0	0	109.3	P2 M3 I4 L5 K31	P2-E29 HydrophobicContact CB-CG 4.49Å; M3-E29 PolarHBondContact O-N 2.79Å; M3-E29 VanDerWaalsContact O-N 3.12Å; I4-E29 HydrophobicContact CG1-CB 4.37Å; L5-E29 PolarHBondContact N-O 3.13Å; E29-K31 PolarHBondContact O-N 3.35Å
30	E	73.5	Confident	67.2	Low	90 Å²	90	98.5 Å²	98.5	42%	0.421	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116	174.3	-74.2	-176.7	94.4	0	0	110.7	R18 Y28	R18-E30 IonicContact NE-OE1 3.37Å; R18-E30 PolarHBondContact NE-OE1 2.66Å; R18-E30 IonicContact NH2-OE1 3.89Å; Y28-E30 HydrophobicContact CD2-CG 3.81Å; Y28-E30 HydrophobicContact CE2-CG 3.22Å
31	K	74.1	Confident	65.4	Low	68 Å²	68	99.4 Å²	99.4	30%	0.296	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.8	93.6	163.4	-83.1	-168.3	170.7	178.7	0	109.3	I4 L5 G6 Y7 E29 Y33	I4-K31 HydrophobicContact CG2-CB 4.47Å; I4-K31 HydrophobicContact CG2-CD 4.1Å; I4-K31 HydrophobicContact CG2-CG 4.17Å; L5-K31 PolarHBondContact O-N 2.67Å; G6-K31 VanDerWaalsContact CA-O 3.31Å; G6-K31 WeakPolarHBondContact CA-O 3.42Å; Y7-K31 PolarHBondContact N-O 2.87Å; E29-K31 PolarHBondContact O-N 3.35Å; K31-Y33 HydrophobicContact CB-CE2 4.12Å; K31-Y33 WeakPolarHBondContact O-CD2 3.35Å; K31-Y33 PolarHBondContact O-N 2.95Å
32	K	71.6	Confident	63.8	Low	93 Å²	93	103.8 Å²	103.8	40%	0.404	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77	114.6	176	-175.1	176.3	176.3	170.1	0	109.9	Y7 D9	Y7-K32 HydrophobicContact CE1-CB 4.5Å; D9-K32 WeakPolarHBondContact OD1-CE 3.43Å; D9-K32 IonicContact OD1-NZ 2.92Å; D9-K32 PolarHBondContact OD1-NZ 3.41Å; D9-K32 WeakPolarHBondContact OD2-CE 3.32Å; D9-K32 IonicContact OD2-NZ 2.8Å; D9-K32 PolarHBondContact OD2-NZ 3.14Å
33	Y	64.9	Low	62	Low	68 Å²	68	102.5 Å²	102.5	27%	0.267	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	104.3	170.7	-64.9	-80.2	0	0	0	108.6	Y7 W8 D9 K31 P79	Y7-Y33 PolarHBondContact O-N 3.06Å; W8-Y33 WeakPolarHBondContact CA-O 3.41Å; D9-Y33 PolarHBondContact N-O 3.06Å; D9-Y33 VanDerWaalsContact N-O 3.14Å; K31-Y33 HydrophobicContact CB-CE2 4.12Å; K31-Y33 WeakPolarHBondContact O-CD2 3.35Å; K31-Y33 PolarHBondContact O-N 2.95Å; Y33-P79 HydrophobicContact CD1-CB 4.34Å; Y33-P79 HydrophobicContact CD1-CG 4.17Å; Y33-P79 HydrophobicContact CE1-CB 3.57Å; Y33-P79 HydrophobicContact CE1-CG 3.57Å
34	T	62.3	Low	60.1	Low	100 Å²	100	100.7 Å²	100.7	61%	0.613	57%	0.574	S	S	*	*			trans	-73.3	130.9	174.8	4.1	0	0	0	0	109.8	G36	T34-G36 VanDerWaalsContact C-N 3.28Å; T34-G36 PolarHBondContact O-N 2.91Å
35	M	57.1	Low	58.5	Low	92 Å²	92	100.2 Å²	100.2	45%	0.453	59%	0.586	S	S	.	*	S	Bend	trans	-70.2	87.6	166.7	-171.8	148.9	-127.2	0	0	109	W8 L42 F44	W8-M35 HydrophobicContact CE3-CB 3.74Å; W8-M35 HydrophobicContact CE3-CE 4.35Å; W8-M35 HydrophobicContact CE3-CG 4.25Å; W8-M35 HydrophobicContact CE3-SD 4.21Å; W8-M35 HydrophobicContact CH2-CB 4.45Å; W8-M35 HydrophobicContact CH2-CE 4.08Å; W8-M35 HydrophobicContact CH2-CG 4.44Å; W8-M35 VanDerWaalsContact CZ3-CA 3.49Å; W8-M35 HydrophobicContact CZ3-CB 3.35Å; W8-M35 HydrophobicContact CZ3-CE 3.5Å; W8-M35 VanDerWaalsContact CZ3-CE 3.5Å; W8-M35 HydrophobicContact CZ3-CG 3.5Å; W8-M35 VanDerWaalsContact CZ3-CG 3.5Å; W8-M35 HydrophobicContact CZ3-SD 3.7Å; M35-L42 WeakPolarHBondContact CE-O 3.16Å; M35-F44 HydrophobicContact CE-CD2 4.34Å
36	G	51.6	Low	57	Low	62 Å²	62	98.8 Å²	98.8	64%	0.639	58%	0.578	S	S	*	*			trans	81.2	114.9	160.6	0	0	0	0	0	117.2	T34	T34-G36 VanDerWaalsContact C-N 3.28Å; T34-G36 PolarHBondContact O-N 2.91Å
37	D	45.1	Very low	55.3	Low	175 Å²	175	100 Å²	100	94%	0.936	59%	0.585	S	S	*	*				-128.1	66.4	128.2	-171	21.3	0	0	0	108.8
38	G	47.1	Very low	54.3	Low	47 Å²	47	101.4 Å²	101.4	49%	0.485	59%	0.592	S	S	.	*	S	Bend	trans	-126.5	98.1	162.7	0	0	0	0	0	105.7	G40	G38-G40 PolarHBondContact O-N 3.06Å
39	N	44.8	Very low	53	Low	160 Å²	160	104.1 Å²	104.1	86%	0.856	61%	0.61	S	S	*	*	S	Bend	trans	22.4	70.2	154.1	63.5	-2.2	0	0	0	117.3
40	G	48.2	Very low	51.8	Low	60 Å²	60	103.2 Å²	103.2	62%	0.619	61%	0.612	S	S	*	*	S	Bend	trans	78.8	145.3	162.3	0	0	0	0	0	115.5	G38	G38-G40 PolarHBondContact O-N 3.06Å
41	T	46.7	Very low	50.5	Low	131 Å²	131	105.5 Å²	105.5	80%	0.804	63%	0.626	S	S	*	*			trans	97	106.9	163.7	-31.5	0	0	0	0	114.3
42	L	44.9	Very low	49.1	Very low	118 Å²	118	106.1 Å²	106.1	62%	0.618	64%	0.639	S	S	*	*			trans	106.6	74.4	148.6	-48.4	-171.6	0	0	0	118	M35 F44	M35-L42 WeakPolarHBondContact CE-O 3.16Å; L42-F44 PolarHBondContact O-N 3.35Å
43	V	44.3	Very low	47.7	Very low	128 Å²	128	111.7 Å²	111.7	78%	0.776	66%	0.658	S	S	*	*			trans	-59.5	125.2	145.1	168.6	0	0	0	0	108.8	G45	V43-G45 PolarHBondContact O-N 3.13Å; V43-G45 VanDerWaalsContact O-N 3.13Å
44	F	41.6	Very low	47	Very low	165 Å²	165	115.9 Å²	115.9	72%	0.724	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-28.8	109	160.5	-129.3	-101.3	0	0	0	111.8	M35 L42	M35-F44 HydrophobicContact CE-CD2 4.34Å; L42-F44 PolarHBondContact O-N 3.35Å
45	G	50.2	Low	46	Very low	75 Å²	75	119.2 Å²	119.2	77%	0.773	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	129.6	6.6	164.7	0	0	0	0	0	118.9	V43	V43-G45 PolarHBondContact O-N 3.13Å; V43-G45 VanDerWaalsContact O-N 3.13Å
46	L	40.6	Very low	45.6	Very low	122 Å²	122	118.5 Å²	118.5	64%	0.639	70%	0.697	S	S	*	*			trans	-125.2	97.6	164.8	-82.7	159.1	0	0	0	108.8	T50	L46-T50 HydrophobicContact CD2-CG2 3.83Å
47	C	39.1	Very low	45.8	Very low	83 Å²	83	121 Å²	121	56%	0.561	70%	0.7	S	S	*	*			trans	-44.5	140.9	158.1	-63.7	0	0	0	0	108.6	L49	C47-L49 HydrophobicContact CB-CB 4.01Å; C47-L49 HydrophobicContact CB-CD1 4.37Å; C47-L49 PolarHBondContact O-N 3.44Å
48	P	47.1	Very low	46	Very low	125 Å²	125	121.4 Å²	121.4	81%	0.812	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	20.2	169	29.3	-31.9	0	0	0	112.7
49	L	46.1	Very low	45.8	Very low	114 Å²	114	122.1 Å²	122.1	60%	0.597	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-13.2	178.2	-88.3	157.9	0	0	0	113.6	C47 S52	C47-L49 HydrophobicContact CB-CB 4.01Å; C47-L49 HydrophobicContact CB-CD1 4.37Å; C47-L49 PolarHBondContact O-N 3.44Å; L49-S52 PolarHBondContact O-N 2.94Å
50	T	48.1	Very low	46.4	Very low	92 Å²	92	118.6 Å²	118.6	56%	0.564	70%	0.704	S	S	*	*	S	Bend	trans	-78.6	-23.6	178.4	69.1	0	0	0	0	112.8	L46 S52	L46-T50 HydrophobicContact CD2-CG2 3.83Å; T50-S52 VanDerWaalsContact C-N 3.27Å; T50-S52 PolarHBondContact O-N 3.02Å
51	L	44.6	Very low	46.4	Very low	138 Å²	138	124.1 Å²	124.1	72%	0.723	71%	0.714	S	S	*	*	H	α-helix	trans	-78.5	-13.5	174.6	-150.2	72.7	0	0	0	112.5
52	S	45.9	Very low	46.8	Very low	80 Å²	80	125 Å²	125	56%	0.559	71%	0.713	S	S	*	*	H	α-helix	trans	-80.3	-20.9	179.4	-170.5	0	0	0	0	113.9	L49 T50	L49-S52 PolarHBondContact O-N 2.94Å; T50-S52 VanDerWaalsContact C-N 3.27Å; T50-S52 PolarHBondContact O-N 3.02Å
53	W	41.9	Very low	46.4	Very low	210 Å²	210	131.9 Å²	131.9	80%	0.795	73%	0.731	S	S	*	*	H	α-helix	trans	-96.7	-23.2	-176	-79.1	96.6	0	0	0	114.2
54	H	49.5	Very low	46.5	Very low	157 Å²	157	133 Å²	133	73%	0.727	73%	0.731	S	S	*	*	H	α-helix	trans	-84.2	-17.3	-176.4	-165.4	-90.9	0	0	0	113.9
55	Q	42.5	Very low	47	Very low	169 Å²	169	130.8 Å²	130.8	79%	0.79	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	0.3	178	-166.7	164.4	-35.9	0	0	113.3
56	A	47.5	Very low	46.8	Very low	77 Å²	77	134.5 Å²	134.5	64%	0.636	74%	0.735	S	S	*	*	S	Bend	trans	-90.5	-8.8	-172	0	0	0	0	0	115.2
57	T	55.9	Low	46.9	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	74%	0.742	S	S	*	*	S	Bend	trans	-108.3	-0.8	-173.1	42.8	0	0	0	0	115.9
58	H	50.1	Low	47.3	Very low	183 Å²	183	136.9 Å²	136.9	85%	0.847	75%	0.75	S	S	*	*	S	Bend	trans	-119.5	15.4	-175.1	-89.2	-68.1	0	0	0	116.6
59	G	41.9	Very low	46.9	Very low	62 Å²	62	136.1 Å²	136.1	64%	0.639	75%	0.747	S	S	*	*			trans	-152.2	80	-178.2	0	0	0	0	0	112.7	H61	G59-H61 VanDerWaalsContact C-N 3.26Å; G59-H61 PolarHBondContact O-N 2.8Å
60	G	57.1	Low	47.2	Very low	85 Å²	85	137 Å²	137	88%	0.876	76%	0.76	S	S	*	*			trans	-62.8	91.4	160.1	0	0	0	0	0	109.5
61	H	48.6	Very low	47.2	Very low	177 Å²	177	137 Å²	137	82%	0.819	77%	0.769	S	S	*	*			trans	-159.2	130.3	154.7	-137.1	-111.3	0	0	0	111.2	G59	G59-H61 VanDerWaalsContact C-N 3.26Å; G59-H61 PolarHBondContact O-N 2.8Å
62	L	54.7	Low	47.3	Very low	149 Å²	149	133.7 Å²	133.7	78%	0.78	77%	0.769	S	S	*	*			trans	-37.4	128.4	179.2	-88	69	0	0	0	114.5
63	W	37.9	Very low	47.2	Very low	262 Å²	262	135.4 Å²	135.4	99%	0.992	79%	0.787	S	S	*	*				-152.8	117.3	125.1	-119.2	-23.1	0	0	0	112.1
64	L	45.1	Very low	47.2	Very low	151 Å²	151	129.7 Å²	129.7	79%	0.791	79%	0.785	S	S	*	*			trans	-66.4	164.4	171.6	-90.9	161.3	0	0	0	111.7	L66	L64-L66 PolarHBondContact O-N 2.78Å
65	P	53.3	Low	46.6	Very low	119 Å²	119	125 Å²	125	77%	0.773	78%	0.78	S	S	*	*			trans	-80	120.1	-155.2	32.8	-34.1	0	0	0	111.4
66	L	45.5	Very low	46.5	Very low	154 Å²	154	123.4 Å²	123.4	81%	0.806	79%	0.785	S	S	*	*			trans	-119.6	98.9	170.9	-166.3	70	0	0	0	110	L64	L64-L66 PolarHBondContact O-N 2.78Å
67	Q	42.1	Very low	46	Very low	166 Å²	166	127.5 Å²	127.5	78%	0.776	80%	0.796	S	S	*	*			trans	56	106.2	144.3	-65.4	-140	46.2	0	0	119.6
68	A	48.6	Very low	45.1	Very low	88 Å²	88	130.2 Å²	130.2	73%	0.727	80%	0.798	S	S	*	*				16.6	115	118.1	0	0	0	0	0	116.8
69	S	39.3	Very low	44.7	Very low	109 Å²	109	124.4 Å²	124.4	76%	0.762	78%	0.776	S	S	*	*			trans	-147.4	104.6	146.6	-147.4	0	0	0	0	109	A71	S69-A71 PolarHBondContact O-N 3.48Å
70	P	51.7	Low	44.4	Very low	133 Å²	133	128.9 Å²	128.9	86%	0.864	78%	0.781	S	S	*	*			trans	-89	82.4	172.7	34.6	-25.9	0	0	0	107.4
71	A	47.8	Very low	43.8	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	76%	0.761	S	S	*	*			trans	-128.3	103.2	172.7	0	0	0	0	0	108	S69	S69-A71 PolarHBondContact O-N 3.48Å
72	G	47.5	Very low	43.2	Very low	69 Å²	69	130.3 Å²	130.3	71%	0.711	76%	0.762	S	S	*	*			trans	131.1	36	170.9	0	0	0	0	0	116.2	A74	G72-A74 PolarHBondContact O-N 2.8Å
73	A	42.7	Very low	42.6	Very low	115 Å²	115	131.9 Å²	131.9	95%	0.95	79%	0.785	S	S	*	*			trans	-72.7	61.7	149.4	0	0	0	0	0	108.3	G75	A73-G75 PolarHBondContact O-N 3.25Å
74	A	41.2	Very low	42.9	Very low	91 Å²	91	125.4 Å²	125.4	75%	0.752	78%	0.775	S	S	*	*			trans	-71.6	110.6	169.2	0	0	0	0	0	106.8	G72	G72-A74 PolarHBondContact O-N 2.8Å
75	G	38.5	Very low	42.8	Very low	59 Å²	59	124.1 Å²	124.1	61%	0.608	77%	0.774	S	S	*	*			trans	61.5	87	156.4	0	0	0	0	0	114.4	A73 L77	A73-G75 PolarHBondContact O-N 3.25Å; G75-L77 PolarHBondContact O-N 3.45Å
76	C	38.8	Very low	42.2	Very low	134 Å²	134	124.3 Å²	124.3	91%	0.905	77%	0.774	S	S	*	*			trans	-51.7	94.3	136.2	-61	0	0	0	0	106.4	F78	C76-F78 PolarHBondContact O-N 2.9Å
77	L	38	Very low	42	Very low	164 Å²	164	122.6 Å²	122.6	86%	0.859	77%	0.772	S	S	*	*			trans	-74.7	78.4	179.6	-166.1	72	0	0	0	107.3	G75 P79	G75-L77 PolarHBondContact O-N 3.45Å; L77-P79 WeakPolarHBondContact O-CD 3.37Å
78	F	36.1	Very low	42	Very low	172 Å²	172	119.9 Å²	119.9	75%	0.754	77%	0.772	S	S	*	*			trans	-57.3	116.3	159.2	-173.7	-98.3	0	0	0	106.8	C76 E80	C76-F78 PolarHBondContact O-N 2.9Å; F78-E80 PolarHBondContact O-N 2.89Å
79	P	42.4	Very low	41.5	Very low	61 Å²	61	122 Å²	122	40%	0.396	78%	0.775	S	S	.	*			trans	-73.4	105.1	-178.1	26.1	-27.9	0	0	0	109.3	Y33 L77	Y33-P79 HydrophobicContact CD1-CB 4.34Å; Y33-P79 HydrophobicContact CD1-CG 4.17Å; Y33-P79 HydrophobicContact CE1-CB 3.57Å; Y33-P79 HydrophobicContact CE1-CG 3.57Å; L77-P79 WeakPolarHBondContact O-CD 3.37Å
80	E	36.6	Very low	41.7	Very low	156 Å²	156	122.9 Å²	122.9	73%	0.729	78%	0.776	S	S	*	*			trans	-55.8	125.3	172.2	-132.9	-88.2	98.4	0	0	110.1	F78 R82	F78-E80 PolarHBondContact O-N 2.89Å; E80-R82 PolarHBondContact O-N 3.46Å
81	P	43.4	Very low	40.9	Very low	71 Å²	71	122.2 Å²	122.2	46%	0.461	77%	0.769	S	S	.	*			trans	-78.3	91.3	178.1	30.8	-32.6	0	0	0	110	S83	P81-S83 PolarHBondContact O-N 3.3Å
82	R	36.8	Very low	40.3	Very low	222 Å²	222	124.7 Å²	124.7	84%	0.838	77%	0.77	S	S	*	*			trans	-62.6	127.8	169.4	-159.1	171.9	-172.1	160.2	2.1	110.3	E80	E80-R82 PolarHBondContact O-N 3.46Å
83	S	42.1	Very low	39.7	Very low	182 Å²	182	129.7 Å²	129.7	100%	1.273	78%	0.775	S	S	*	*			trans	-64.7	0	171.1	177.7	0	0	0	0	113	P81	P81-S83 PolarHBondContact O-N 3.3Å

Retrieved 83 of 83 residues in 27.2 ms (Link to these results)

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