H3BQT3_HUMAN Loading...

Glutathione S-transferase mu 1

AlphaFold DB , UniProt , Accession H3BQT3, Species HUMAN (Homo sapiens, Human), Gene GSTM1, Length 85 aa.

						>H3BQT3_HUMAN|H3BQT3|GSTM1
MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEKFKLGLDFPNVGRQKRRRFVWTFWRTRPWTTICSWA
					

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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	57.5	Low	79.6	Confident	234 Å²	234	87.6 Å²	87.6	100%	1.153	44%	0.435	S	S	*	.				0	108.3	0	-156	133.1	78.7	0	0	106
2	P	70.9	Confident	79.8	Confident	59 Å²	59	84.8 Å²	84.8	38%	0.383	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-63.4	141.9	-172.9	26.1	-32.5	0	0	0	109.6	E29	P2-E29 HydrophobicContact CB-CG 4.11Å; P2-E29 HydrophobicContact CG-CG 4.34Å; P2-E29 WeakPolarHBondContact CG-OE1 3.37Å
3	M	79.8	Confident	79.7	Confident	92 Å²	92	88.6 Å²	88.6	45%	0.453	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.8	177.9	-164.7	160	-58.6	0	0	109.1	S27 Y28 E29 Q63	M3-S27 PolarHBondContact N-O 2.85Å; M3-Y28 CarbonylContact O-C 3.58Å; M3-Y28 WeakPolarHBondContact O-CA 3.35Å; M3-Y28 WeakPolarHBondContact O-CB 3.38Å; M3-E29 PolarHBondContact O-N 3.24Å; M3-Q63 HydrophobicContact SD-CG 4.08Å; M3-Q63 PolarHBondContact SD-NE2 3.12Å
4	I	83.8	Confident	80.1	Confident	94 Å²	94	82.4 Å²	82.4	48%	0.482	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.8	-179.6	-58.4	171.3	0	0	0	109.3	E29 K31	I4-E29 CarbonylContact C-O 3.46Å; I4-E29 WeakPolarHBondContact CA-O 2.88Å; I4-E29 HydrophobicContact CG1-CB 4.46Å; I4-K31 HydrophobicContact CG2-CD 3.88Å; I4-K31 HydrophobicContact CG2-CG 3.95Å
5	L	84.6	Confident	80.5	Confident	23 Å²	23	81.7 Å²	81.7	12%	0.12	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	105.2	171.8	-178	64.7	0	0	0	109	I17 R18 L21 Y28 E29 K31	L5-I17 HydrophobicContact CD1-CG2 3.88Å; L5-I17 HydrophobicContact CD2-CG2 4.27Å; L5-R18 HydrophobicContact CD2-CG 3.88Å; L5-L21 HydrophobicContact CD2-CD1 4.11Å; L5-Y28 HydrophobicContact CB-CD2 4.23Å; L5-Y28 HydrophobicContact CD2-CE2 4.38Å; L5-E29 PolarHBondContact N-O 2.94Å; L5-K31 PolarHBondContact O-N 3.34Å
6	G	87.8	Confident	80.9	Confident	26 Å²	26	81.1 Å²	81.1	27%	0.268	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.1	174.2	0	0	0	0	0	111.3	K31	G6-K31 WeakPolarHBondContact CA-O 3.26Å
7	Y	85.3	Confident	81.3	Confident	22 Å²	22	78.8 Å²	78.8	9%	0.086	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.4	174.9	-159.9	-114.1	0	0	0	111.8	I10 L13 A14 K31 K32 Y33 V60	Y7-I10 HydrophobicContact CD1-CG1 4.4Å; Y7-I10 HydrophobicContact CE1-CD1 4.38Å; Y7-I10 HydrophobicContact CE1-CG1 3.79Å; Y7-L13 HydrophobicContact CE2-CB 4.32Å; Y7-L13 PolarHBondContact OH-N 3.16Å; Y7-A14 HydrophobicContact CD1-CB 3.25Å; Y7-A14 HydrophobicContact CD2-CB 3.87Å; Y7-A14 HydrophobicContact CE1-CB 3.78Å; Y7-A14 HydrophobicContact CE2-CB 4.35Å; Y7-A14 HydrophobicContact CG-CB 3.31Å; Y7-K31 PolarHBondContact N-O 2.76Å; Y7-K32 WeakPolarHBondContact O-CA 3.3Å; Y7-Y33 PolarHBondContact O-N 2.89Å; Y7-V60 HydrophobicContact CD2-CG1 3.57Å; Y7-V60 VanDerWaalsContact CD2-O 3.26Å; Y7-V60 WeakPolarHBondContact CD2-O 3.39Å; Y7-V60 HydrophobicContact CE2-CG1 3.84Å; Y7-V60 VanDerWaalsContact CE2-O 3.25Å; Y7-V60 WeakPolarHBondContact CE2-O 3.42Å; Y7-V60 HydrophobicContact CG-CG1 4.47Å
8	W	83.4	Confident	81.5	Confident	36 Å²	36	76.6 Å²	76.6	14%	0.136	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	154.2	170.9	-64.7	105.8	0	0	0	110.7	I10 Y33 M35 R43 W46	W8-I10 HydrophobicContact CB-CD1 4.03Å; W8-I10 HydrophobicContact CB-CG1 3.75Å; W8-I10 PolarHBondContact O-N 3.18Å; W8-Y33 CarbonylContact C-O 3.5Å; W8-Y33 VanDerWaalsContact CA-O 3.3Å; W8-Y33 WeakPolarHBondContact CA-O 3.37Å; W8-M35 HydrophobicContact CE3-CG 3.82Å; W8-M35 HydrophobicContact CH2-CG 4.26Å; W8-M35 HydrophobicContact CZ3-CG 3.57Å; W8-R43 HydrophobicContact CH2-CB 3.91Å; W8-R43 HydrophobicContact CH2-CG 3.71Å; W8-R43 HydrophobicContact CZ2-CG 4.37Å; W8-R43 HydrophobicContact CZ3-CG 4.38Å; W8-W46 HydrophobicContact CH2-CB 3.49Å; W8-W46 VanDerWaalsContact CH2-CB 3.49Å; W8-W46 HydrophobicContact CH2-CG 4.13Å; W8-W46 HydrophobicContact CZ2-CB 3.71Å; W8-W46 AromaticContact CZ2-CD1 3.83Å; W8-W46 AromaticContact CZ2-CG 3.81Å; W8-W46 HydrophobicContact CZ2-CG 3.81Å; W8-W46 HydrophobicContact CZ3-CB 4.36Å
9	D	80.8	Confident	81.9	Confident	92 Å²	92	77.9 Å²	77.9	49%	0.492	42%	0.415	S	S	.	.	S	Bend	trans	-74.5	54.1	175.1	-164.1	27.2	0	0	0	112.6	K32 Y33 T34	D9-K32 HydrophobicContact CB-CB 4.45Å; D9-Y33 PolarHBondContact N-O 2.89Å; D9-T34 HydrophobicContact CB-CG2 4.24Å
10	I	82.4	Confident	82.2	Confident	100 Å²	100	79.2 Å²	79.2	51%	0.513	42%	0.421	S	S	.	.	S	Bend	trans	-135.6	153.8	175.7	58.8	178.4	0	0	0	107.8	Y7 W8	Y7-I10 HydrophobicContact CD1-CG1 4.4Å; Y7-I10 HydrophobicContact CE1-CD1 4.38Å; Y7-I10 HydrophobicContact CE1-CG1 3.79Å; W8-I10 HydrophobicContact CB-CD1 4.03Å; W8-I10 HydrophobicContact CB-CG1 3.75Å; W8-I10 PolarHBondContact O-N 3.18Å
11	R	79.1	Confident	82.5	Confident	186 Å²	186	75.7 Å²	75.7	70%	0.702	40%	0.402	S	S	*	.	S	Bend	trans	-63.6	-50.6	179.6	-67.9	-166.6	176.2	-176.6	0.3	111.4	H15	R11-H15 HydrophobicContact CB-CB 4.31Å; R11-H15 WeakPolarHBondContact O-CB 3.33Å; R11-H15 PolarHBondContact O-N 3.06Å
12	G	81.9	Confident	83.9	Confident	53 Å²	53	70.1 Å²	70.1	55%	0.546	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	36.8	-140.9	169.2	0	0	0	0	0	115.8
13	L	79.3	Confident	84.8	Confident	135 Å²	135	77 Å²	77	71%	0.707	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.9	-179.9	-65.1	170.4	0	0	0	113.1	Y7 H15	Y7-L13 HydrophobicContact CE2-CB 4.32Å; Y7-L13 PolarHBondContact OH-N 3.16Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.27Å
14	A	84.9	Confident	85.3	Confident	1 Å²	1	76 Å²	76	1%	0.008	39%	0.393	C	S	.	.	H	α-helix	trans	-75.7	-15.2	179.8	0	0	0	0	0	113.4	Y7 A16 I17 R18	Y7-A14 HydrophobicContact CD1-CB 3.25Å; Y7-A14 HydrophobicContact CD2-CB 3.87Å; Y7-A14 HydrophobicContact CE1-CB 3.78Å; Y7-A14 HydrophobicContact CE2-CB 4.35Å; Y7-A14 HydrophobicContact CG-CB 3.31Å; A14-A16 PolarHBondContact O-N 3.39Å; A14-I17 PolarHBondContact O-N 3.06Å; A14-I17 VanDerWaalsContact O-N 3.12Å; A14-R18 WeakPolarHBondContact O-CG 3.38Å; A14-R18 PolarHBondContact O-N 2.91Å
15	H	85.8	Confident	85.4	Confident	73 Å²	73	78.8 Å²	78.8	34%	0.338	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-46.1	-177.8	-166.4	48.6	0	0	0	112.8	R11 L13 I17 R18 L19	R11-H15 HydrophobicContact CB-CB 4.31Å; R11-H15 WeakPolarHBondContact O-CB 3.33Å; R11-H15 PolarHBondContact O-N 3.06Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.27Å; H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.28Å; H15-R18 PolarHBondContact O-N 2.97Å; H15-L19 WeakPolarHBondContact O-CG 3.38Å; H15-L19 PolarHBondContact O-N 3.49Å; H15-L19 VanDerWaalsContact O-N 3.08Å
16	A	87	Confident	85.4	Confident	71 Å²	71	80.4 Å²	80.4	59%	0.587	42%	0.422	S	S	*	.	H	α-helix	trans	-64.6	-32.6	176.3	0	0	0	0	0	112.2	A14 L20	A14-A16 PolarHBondContact O-N 3.39Å; A16-L20 WeakPolarHBondContact O-CB 3.33Å; A16-L20 PolarHBondContact O-N 3.11Å
17	I	87	Confident	85.2	Confident	43 Å²	43	84 Å²	84	22%	0.221	44%	0.442	C	S	.	.	H	α-helix	trans	-71.1	-44.7	178.6	-56.3	174.9	0	0	0	110.4	L5 A14 H15 L20 L21	L5-I17 HydrophobicContact CD1-CG2 3.88Å; L5-I17 HydrophobicContact CD2-CG2 4.27Å; A14-I17 PolarHBondContact O-N 3.06Å; A14-I17 VanDerWaalsContact O-N 3.12Å; H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.28Å; I17-L20 PolarHBondContact O-N 2.91Å; I17-L21 HydrophobicContact CG2-CD1 3.92Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CB 3.35Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.49Å; I17-L21 PolarHBondContact O-N 3.02Å
18	R	86.3	Confident	85.3	Confident	38 Å²	38	85.4 Å²	85.4	14%	0.143	45%	0.448	C	S	.	.	H	α-helix	trans	-55.8	-51.9	173.5	-70.6	174.6	-176.2	162	3	110.7	L5 A14 H15 L20 L21 E22 E30	L5-R18 HydrophobicContact CD2-CG 3.88Å; A14-R18 WeakPolarHBondContact O-CG 3.38Å; A14-R18 PolarHBondContact O-N 2.91Å; H15-R18 PolarHBondContact O-N 2.97Å; R18-L20 VanDerWaalsContact C-N 3.27Å; R18-L20 PolarHBondContact O-N 3.02Å; R18-L21 PolarHBondContact O-N 3.07Å; R18-L21 VanDerWaalsContact O-N 3.11Å; R18-E22 WeakPolarHBondContact O-CG 3.2Å; R18-E22 PolarHBondContact O-N 3.44Å; R18-E30 IonicContact CZ-OE1 2.97Å; R18-E30 IonicContact NE-OE1 2.62Å; R18-E30 PolarHBondContact NE-OE1 3.27Å; R18-E30 IonicContact NE-OE2 3.79Å; R18-E30 IonicContact NH2-OE1 2.64Å; R18-E30 PolarHBondContact NH2-OE1 3.11Å; R18-E30 IonicContact NH2-OE2 3.9Å
19	L	88.9	Confident	85.4	Confident	103 Å²	103	88.6 Å²	88.6	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-57.3	-40.9	179.3	-72.1	170.2	0	0	0	112.4	H15 Y23	H15-L19 WeakPolarHBondContact O-CG 3.38Å; H15-L19 PolarHBondContact O-N 3.49Å; H15-L19 VanDerWaalsContact O-N 3.08Å; L19-Y23 WeakPolarHBondContact O-CB 3.14Å; L19-Y23 PolarHBondContact O-N 3.27Å
20	L	87.9	Confident	85.5	Confident	103 Å²	103	87.2 Å²	87.2	54%	0.539	46%	0.455	S	S	.	.	H	α-helix	trans	-69.1	-39.2	177.7	-175.1	137.4	0	0	0	112.3	A16 I17 R18 Y23 T24	A16-L20 WeakPolarHBondContact O-CB 3.33Å; A16-L20 PolarHBondContact O-N 3.11Å; I17-L20 PolarHBondContact O-N 2.91Å; R18-L20 VanDerWaalsContact C-N 3.27Å; R18-L20 PolarHBondContact O-N 3.02Å; L20-Y23 PolarHBondContact O-N 3.38Å; L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 2.98Å; L20-T24 PolarHBondContact O-OG1 2.62Å
21	L	87.1	Confident	85.7	Confident	6 Å²	6	86.3 Å²	86.3	3%	0.031	45%	0.447	C	S	.	.	H	α-helix	trans	-65.6	-44.9	177.2	-71.8	168.8	0	0	0	111.5	L5 I17 R18 Y23 T24 D25 S26 Y28	L5-L21 HydrophobicContact CD2-CD1 4.11Å; I17-L21 HydrophobicContact CG2-CD1 3.92Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CB 3.35Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.49Å; I17-L21 PolarHBondContact O-N 3.02Å; R18-L21 PolarHBondContact O-N 3.07Å; R18-L21 VanDerWaalsContact O-N 3.11Å; L21-Y23 PolarHBondContact O-N 3.44Å; L21-T24 PolarHBondContact O-N 2.62Å; L21-T24 PolarHBondContact O-OG1 3.18Å; L21-T24 VanDerWaalsContact O-OG1 3.11Å; L21-D25 PolarHBondContact O-N 3.12Å; L21-D25 VanDerWaalsContact O-N 3.16Å; L21-S26 PolarHBondContact O-N 3.31Å; L21-Y28 HydrophobicContact CB-CD1 3.67Å; L21-Y28 HydrophobicContact CB-CE1 3.6Å; L21-Y28 HydrophobicContact CB-CG 4.36Å; L21-Y28 HydrophobicContact CD1-CD1 3.98Å; L21-Y28 HydrophobicContact CD1-CD2 3.89Å; L21-Y28 HydrophobicContact CD1-CE1 4.28Å; L21-Y28 HydrophobicContact CD1-CE2 4.16Å; L21-Y28 HydrophobicContact CD1-CG 3.8Å; L21-Y28 HydrophobicContact CG-CD1 4.27Å
22	E	88.3	Confident	86	Confident	116 Å²	116	82.2 Å²	82.2	54%	0.542	44%	0.435	S	S	.	.	H	α-helix	trans	-60.1	-43.2	173.2	-65.6	-58.5	145.3	0	0	111.7	R18 T24 D25 Y28	R18-E22 WeakPolarHBondContact O-CG 3.2Å; R18-E22 PolarHBondContact O-N 3.44Å; E22-T24 VanDerWaalsContact C-N 3.28Å; E22-T24 PolarHBondContact O-N 3.39Å; E22-D25 PolarHBondContact O-N 3.08Å; E22-Y28 WeakPolarHBondContact OE1-CE1 3.29Å; E22-Y28 PolarHBondContact OE1-OH 2.83Å
23	Y	89.8	Confident	86	Confident	204 Å²	204	80 Å²	80	80%	0.8	41%	0.409	S	S	*	.	H	α-helix	trans	-63.6	-33.9	178.7	178.8	-102.6	0	0	0	113.2	L19 L20 L21 D25	L19-Y23 WeakPolarHBondContact O-CB 3.14Å; L19-Y23 PolarHBondContact O-N 3.27Å; L20-Y23 PolarHBondContact O-N 3.38Å; L21-Y23 PolarHBondContact O-N 3.44Å; Y23-D25 VanDerWaalsContact C-N 3.32Å
24	T	90.4	Very high	86.1	Confident	72 Å²	72	77.3 Å²	77.3	44%	0.442	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.9	179.7	59.3	0	0	0	0	113.6	L20 L21 E22 S26	L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 2.98Å; L20-T24 PolarHBondContact O-OG1 2.62Å; L21-T24 PolarHBondContact O-N 2.62Å; L21-T24 PolarHBondContact O-OG1 3.18Å; L21-T24 VanDerWaalsContact O-OG1 3.11Å; E22-T24 VanDerWaalsContact C-N 3.28Å; E22-T24 PolarHBondContact O-N 3.39Å; T24-S26 PolarHBondContact O-N 2.64Å; T24-S26 PolarHBondContact OG1-OG 2.88Å
25	D	85.8	Confident	85.7	Confident	152 Å²	152	81.4 Å²	81.4	81%	0.813	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	35.7	-177.7	-144	6.2	0	0	0	112.8	L21 E22 Y23	L21-D25 PolarHBondContact O-N 3.12Å; L21-D25 VanDerWaalsContact O-N 3.16Å; E22-D25 PolarHBondContact O-N 3.08Å; Y23-D25 VanDerWaalsContact C-N 3.32Å
26	S	84.6	Confident	85.5	Confident	57 Å²	57	79.3 Å²	79.3	40%	0.399	42%	0.417	S	S	.	.			trans	-80.1	134.8	-176.6	-70.7	0	0	0	0	109.9	L21 T24 Y28	L21-S26 PolarHBondContact O-N 3.31Å; T24-S26 PolarHBondContact O-N 2.64Å; T24-S26 PolarHBondContact OG1-OG 2.88Å; S26-Y28 WeakPolarHBondContact O-CD1 3.45Å; S26-Y28 PolarHBondContact O-N 2.99Å
27	S	83.4	Confident	85	Confident	100 Å²	100	83.1 Å²	83.1	70%	0.699	43%	0.428	S	S	*	.			trans	-70.9	111.3	172.7	48.8	0	0	0	0	111.3	M3	M3-S27 PolarHBondContact N-O 2.85Å
28	Y	86.3	Confident	84.4	Confident	52 Å²	52	84.3 Å²	84.3	20%	0.204	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.1	177.1	76.1	-84.2	0	0	0	111.6	M3 L5 L21 E22 S26 E30	M3-Y28 CarbonylContact O-C 3.58Å; M3-Y28 WeakPolarHBondContact O-CA 3.35Å; M3-Y28 WeakPolarHBondContact O-CB 3.38Å; L5-Y28 HydrophobicContact CB-CD2 4.23Å; L5-Y28 HydrophobicContact CD2-CE2 4.38Å; L21-Y28 HydrophobicContact CB-CD1 3.67Å; L21-Y28 HydrophobicContact CB-CE1 3.6Å; L21-Y28 HydrophobicContact CB-CG 4.36Å; L21-Y28 HydrophobicContact CD1-CD1 3.98Å; L21-Y28 HydrophobicContact CD1-CD2 3.89Å; L21-Y28 HydrophobicContact CD1-CE1 4.28Å; L21-Y28 HydrophobicContact CD1-CE2 4.16Å; L21-Y28 HydrophobicContact CD1-CG 3.8Å; L21-Y28 HydrophobicContact CG-CD1 4.27Å; E22-Y28 WeakPolarHBondContact OE1-CE1 3.29Å; E22-Y28 PolarHBondContact OE1-OH 2.83Å; S26-Y28 WeakPolarHBondContact O-CD1 3.45Å; S26-Y28 PolarHBondContact O-N 2.99Å; Y28-E30 HydrophobicContact CE2-CB 4.33Å
29	E	86.1	Confident	84.1	Confident	103 Å²	103	87.8 Å²	87.8	48%	0.481	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.7	172.1	-74.4	177	-169.3	0	0	109	P2 M3 I4 L5	P2-E29 HydrophobicContact CB-CG 4.11Å; P2-E29 HydrophobicContact CG-CG 4.34Å; P2-E29 WeakPolarHBondContact CG-OE1 3.37Å; M3-E29 PolarHBondContact O-N 3.24Å; I4-E29 CarbonylContact C-O 3.46Å; I4-E29 WeakPolarHBondContact CA-O 2.88Å; I4-E29 HydrophobicContact CG1-CB 4.46Å; L5-E29 PolarHBondContact N-O 2.94Å
30	E	83.8	Confident	83.5	Confident	63 Å²	63	89.8 Å²	89.8	29%	0.294	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.9	179.2	-173.3	165.9	-139.6	0	0	111.7	R18 Y28 K32	R18-E30 IonicContact CZ-OE1 2.97Å; R18-E30 IonicContact NE-OE1 2.62Å; R18-E30 PolarHBondContact NE-OE1 3.27Å; R18-E30 IonicContact NE-OE2 3.79Å; R18-E30 IonicContact NH2-OE1 2.64Å; R18-E30 PolarHBondContact NH2-OE1 3.11Å; R18-E30 IonicContact NH2-OE2 3.9Å; Y28-E30 HydrophobicContact CE2-CB 4.33Å; E30-K32 VanDerWaalsContact CD-CE 3.48Å; E30-K32 HydrophobicContact CG-CG 3.92Å; E30-K32 WeakPolarHBondContact OE2-CE 3.37Å; E30-K32 IonicContact OE2-NZ 3.71Å
31	K	86.4	Confident	82.7	Confident	81 Å²	81	91.2 Å²	91.2	35%	0.352	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	106.4	169.8	-71	-170.1	175.7	-167.5	0	109.4	I4 L5 G6 Y7	I4-K31 HydrophobicContact CG2-CD 3.88Å; I4-K31 HydrophobicContact CG2-CG 3.95Å; L5-K31 PolarHBondContact O-N 3.34Å; G6-K31 WeakPolarHBondContact CA-O 3.26Å; Y7-K31 PolarHBondContact N-O 2.76Å
32	K	84.9	Confident	82.3	Confident	101 Å²	101	95.1 Å²	95.1	44%	0.439	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.2	176.9	-60.8	-177.1	-177.9	179	0	109.9	Y7 D9 E30	Y7-K32 WeakPolarHBondContact O-CA 3.3Å; D9-K32 HydrophobicContact CB-CB 4.45Å; E30-K32 VanDerWaalsContact CD-CE 3.48Å; E30-K32 HydrophobicContact CG-CG 3.92Å; E30-K32 WeakPolarHBondContact OE2-CE 3.37Å; E30-K32 IonicContact OE2-NZ 3.71Å
33	Y	82.2	Confident	81.7	Confident	5 Å²	5	96.6 Å²	96.6	2%	0.02	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.8	171.8	-60.5	-73.2	0	0	0	108.8	Y7 W8 D9 Q45 W46 E49	Y7-Y33 PolarHBondContact O-N 2.89Å; W8-Y33 CarbonylContact C-O 3.5Å; W8-Y33 VanDerWaalsContact CA-O 3.3Å; W8-Y33 WeakPolarHBondContact CA-O 3.37Å; D9-Y33 PolarHBondContact N-O 2.89Å; Y33-Q45 HydrophobicContact CD1-CB 4.48Å; Y33-Q45 HydrophobicContact CD1-CG 3.94Å; Y33-Q45 HydrophobicContact CE1-CG 4.5Å; Y33-W46 HydrophobicContact CD1-CE3 4.45Å; Y33-W46 AromaticContact CD2-CE3 3.87Å; Y33-W46 HydrophobicContact CD2-CE3 3.87Å; Y33-W46 HydrophobicContact CD2-CZ3 4.35Å; Y33-W46 HydrophobicContact CE1-CE3 4.14Å; Y33-W46 AromaticContact CE2-CE3 3.49Å; Y33-W46 HydrophobicContact CE2-CE3 3.49Å; Y33-W46 VanDerWaalsContact CE2-CE3 3.49Å; Y33-W46 AromaticContact CE2-CZ3 3.64Å; Y33-W46 HydrophobicContact CE2-CZ3 3.64Å; Y33-W46 HydrophobicContact CG-CE3 4.34Å; Y33-W46 AromaticContact CZ-CE3 3.65Å; Y33-W46 AromaticContact CZ-CZ3 3.91Å; Y33-E49 VanDerWaalsContact CE1-OE2 3.24Å; Y33-E49 WeakPolarHBondContact CE1-OE2 3.25Å; Y33-E49 PolarHBondContact OH-OE2 3.06Å
34	T	80.6	Confident	81.3	Confident	79 Å²	79	88.9 Å²	88.9	49%	0.485	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-90.4	136	174.2	47.7	0	0	0	0	108.6	D9 Q45	D9-T34 HydrophobicContact CB-CG2 4.24Å; T34-Q45 VanDerWaalsContact N-OE1 3.13Å; T34-Q45 PolarHBondContact O-OE1 2.86Å; T34-Q45 PolarHBondContact OG1-OE1 2.84Å
35	M	77.5	Confident	80.7	Confident	87 Å²	87	89.2 Å²	89.2	43%	0.429	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-78.5	141.9	166.1	-93.2	-170.9	37.5	0	0	109.3	W8 Y41 R43	W8-M35 HydrophobicContact CE3-CG 3.82Å; W8-M35 HydrophobicContact CH2-CG 4.26Å; W8-M35 HydrophobicContact CZ3-CG 3.57Å; M35-Y41 HydrophobicContact CE-CD1 3.1Å; M35-Y41 HydrophobicContact CE-CE1 3.95Å; M35-Y41 HydrophobicContact CE-CG 3.59Å; M35-R43 HydrophobicContact CG-CG 4.15Å; M35-R43 HydrophobicContact SD-CG 4.31Å
36	G	80.9	Confident	80.2	Confident	29 Å²	29	83 Å²	83	30%	0.299	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-61.8	160.6	172.8	0	0	0	0	0	112.4	D42	G36-D42 PolarHBondContact N-O 3.2Å
37	D	76.4	Confident	79.9	Confident	151 Å²	151	84.4 Å²	84.4	81%	0.807	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-63.3	158.3	179	-71.7	-39.2	0	0	0	112.4	Y41	D37-Y41 PolarHBondContact O-N 2.87Å
38	A	74	Confident	79.7	Confident	68 Å²	68	84.7 Å²	84.7	56%	0.562	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	145.4	173.1	0	0	0	0	0	110.4	Y41	A38-Y41 HydrophobicContact CB-CE1 4.47Å; A38-Y41 HydrophobicContact CB-CE2 4.49Å
39	P	80.3	Confident	79.1	Confident	111 Å²	111	85.2 Å²	85.2	72%	0.721	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.7	-12.2	12.2	34.9	-34.9	0	0	0	115.8	Y41	P39-Y41 WeakPolarHBondContact O-CD2 3.24Å
40	D	76.4	Confident	78.3	Confident	145 Å²	145	82.7 Å²	82.7	78%	0.775	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.8	-167.2	-73	-36	0	0	0	114.1	D42	D40-D42 VanDerWaalsContact C-N 3.33Å; D40-D42 PolarHBondContact O-N 3.09Å
41	Y	71.5	Confident	77.7	Confident	134 Å²	134	87.2 Å²	87.2	53%	0.525	45%	0.448	S	S	.	.			trans	46.9	54.1	172.7	-74.4	-60.8	0	0	0	112.6	M35 D37 A38 P39 R43	M35-Y41 HydrophobicContact CE-CD1 3.1Å; M35-Y41 HydrophobicContact CE-CE1 3.95Å; M35-Y41 HydrophobicContact CE-CG 3.59Å; D37-Y41 PolarHBondContact O-N 2.87Å; A38-Y41 HydrophobicContact CB-CE1 4.47Å; A38-Y41 HydrophobicContact CB-CE2 4.49Å; P39-Y41 WeakPolarHBondContact O-CD2 3.24Å; Y41-R43 PolarHBondContact O-N 3.16Å
42	D	78.2	Confident	77.2	Confident	87 Å²	87	91.8 Å²	91.8	47%	0.465	47%	0.468	S	S	.	.			trans	-62.6	131.7	-171.2	-172	19.3	0	0	0	111.6	G36 D40 S44	G36-D42 PolarHBondContact N-O 3.2Å; D40-D42 VanDerWaalsContact C-N 3.33Å; D40-D42 PolarHBondContact O-N 3.09Å; D42-S44 VanDerWaalsContact CG-OG 3.26Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 3.12Å; D42-S44 PolarHBondContact OD1-OG 3.43Å; D42-S44 VanDerWaalsContact OD2-CB 3.31Å; D42-S44 WeakPolarHBondContact OD2-CB 3.48Å; D42-S44 PolarHBondContact OD2-OG 3.15Å
43	R	77.3	Confident	76.6	Confident	147 Å²	147	90.8 Å²	90.8	56%	0.555	47%	0.467	S	S	*	.			trans	-117.6	11	179.5	-67.7	176.7	-68.5	173.9	-0.5	111.6	W8 M35 Y41 Q45 W46 L47	W8-R43 HydrophobicContact CH2-CB 3.91Å; W8-R43 HydrophobicContact CH2-CG 3.71Å; W8-R43 HydrophobicContact CZ2-CG 4.37Å; W8-R43 HydrophobicContact CZ3-CG 4.38Å; M35-R43 HydrophobicContact CG-CG 4.15Å; M35-R43 HydrophobicContact SD-CG 4.31Å; Y41-R43 PolarHBondContact O-N 3.16Å; R43-Q45 PolarHBondContact O-N 3.32Å; R43-W46 PolarHBondContact O-N 3.07Å; R43-W46 VanDerWaalsContact O-N 3.07Å; R43-L47 PolarHBondContact O-N 3Å
44	S	79.8	Confident	76.1	Confident	43 Å²	43	93 Å²	93	30%	0.301	49%	0.491	S	S	.	.	H	α-helix	trans	-51.8	-39.3	-179.7	64.4	0	0	0	0	112.5	D42 W46 L47 N48	D42-S44 VanDerWaalsContact CG-OG 3.26Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 3.12Å; D42-S44 PolarHBondContact OD1-OG 3.43Å; D42-S44 VanDerWaalsContact OD2-CB 3.31Å; D42-S44 WeakPolarHBondContact OD2-CB 3.48Å; D42-S44 PolarHBondContact OD2-OG 3.15Å; S44-W46 VanDerWaalsContact C-N 3.31Å; S44-W46 PolarHBondContact O-N 2.61Å; S44-L47 PolarHBondContact O-N 3.49Å; S44-N48 VanDerWaalsContact O-CB 3.29Å; S44-N48 WeakPolarHBondContact O-CB 3.08Å; S44-N48 PolarHBondContact O-N 2.87Å; S44-N48 PolarHBondContact O-ND2 3.22Å; S44-N48 VanDerWaalsContact O-ND2 3.12Å
45	Q	77.8	Confident	75.8	Confident	79 Å²	79	91.7 Å²	91.7	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-55.7	-44.6	178	-163.5	-171.5	6.3	0	0	112	Y33 T34 R43	Y33-Q45 HydrophobicContact CD1-CB 4.48Å; Y33-Q45 HydrophobicContact CD1-CG 3.94Å; Y33-Q45 HydrophobicContact CE1-CG 4.5Å; T34-Q45 VanDerWaalsContact N-OE1 3.13Å; T34-Q45 PolarHBondContact O-OE1 2.86Å; T34-Q45 PolarHBondContact OG1-OE1 2.84Å; R43-Q45 PolarHBondContact O-N 3.32Å
46	W	77	Confident	75.5	Confident	22 Å²	22	94.4 Å²	94.4	8%	0.083	50%	0.497	C	S	.	.	H	α-helix	trans	-73.5	-46	176.5	172.5	-118.4	0	0	0	111.9	W8 Y33 R43 S44 N48 E49 K50 L53 V60	W8-W46 HydrophobicContact CH2-CB 3.49Å; W8-W46 VanDerWaalsContact CH2-CB 3.49Å; W8-W46 HydrophobicContact CH2-CG 4.13Å; W8-W46 HydrophobicContact CZ2-CB 3.71Å; W8-W46 AromaticContact CZ2-CD1 3.83Å; W8-W46 AromaticContact CZ2-CG 3.81Å; W8-W46 HydrophobicContact CZ2-CG 3.81Å; W8-W46 HydrophobicContact CZ3-CB 4.36Å; Y33-W46 HydrophobicContact CD1-CE3 4.45Å; Y33-W46 AromaticContact CD2-CE3 3.87Å; Y33-W46 HydrophobicContact CD2-CE3 3.87Å; Y33-W46 HydrophobicContact CD2-CZ3 4.35Å; Y33-W46 HydrophobicContact CE1-CE3 4.14Å; Y33-W46 AromaticContact CE2-CE3 3.49Å; Y33-W46 HydrophobicContact CE2-CE3 3.49Å; Y33-W46 VanDerWaalsContact CE2-CE3 3.49Å; Y33-W46 AromaticContact CE2-CZ3 3.64Å; Y33-W46 HydrophobicContact CE2-CZ3 3.64Å; Y33-W46 HydrophobicContact CG-CE3 4.34Å; Y33-W46 AromaticContact CZ-CE3 3.65Å; Y33-W46 AromaticContact CZ-CZ3 3.91Å; R43-W46 PolarHBondContact O-N 3.07Å; R43-W46 VanDerWaalsContact O-N 3.07Å; S44-W46 VanDerWaalsContact C-N 3.31Å; S44-W46 PolarHBondContact O-N 2.61Å; W46-N48 VanDerWaalsContact C-N 3.29Å; W46-N48 PolarHBondContact O-N 2.96Å; W46-E49 PolarHBondContact O-N 3.09Å; W46-K50 HydrophobicContact CZ2-CG 4.21Å; W46-K50 VanDerWaalsContact O-CB 3.29Å; W46-K50 WeakPolarHBondContact O-CB 3.31Å; W46-K50 PolarHBondContact O-N 3.41Å; W46-L53 HydrophobicContact CZ3-CD1 4.27Å; W46-V60 HydrophobicContact CD2-CG2 4.04Å; W46-V60 HydrophobicContact CH2-CG2 4.05Å; W46-V60 HydrophobicContact CZ2-CB 4.38Å; W46-V60 HydrophobicContact CZ2-CG2 3.36Å
47	L	77.1	Confident	74.6	Confident	86 Å²	86	101.4 Å²	101.4	45%	0.45	52%	0.52	S	S	.	.	H	α-helix	trans	-62.5	-34.7	-175.9	-70.5	172.8	0	0	0	113	R43 S44 K50	R43-L47 PolarHBondContact O-N 3Å; S44-L47 PolarHBondContact O-N 3.49Å; L47-K50 HydrophobicContact CD2-CD 4.43Å
48	N	78.6	Confident	73.7	Confident	106 Å²	106	96.5 Å²	96.5	57%	0.567	50%	0.496	S	S	*	.	H	α-helix	trans	-72.2	-30	179.8	-72.3	-27	0	0	0	113.4	S44 W46 K52	S44-N48 VanDerWaalsContact O-CB 3.29Å; S44-N48 WeakPolarHBondContact O-CB 3.08Å; S44-N48 PolarHBondContact O-N 2.87Å; S44-N48 PolarHBondContact O-ND2 3.22Å; S44-N48 VanDerWaalsContact O-ND2 3.12Å; W46-N48 VanDerWaalsContact C-N 3.29Å; W46-N48 PolarHBondContact O-N 2.96Å; N48-K52 WeakPolarHBondContact O-CE 3.21Å
49	E	74.6	Confident	72.6	Confident	62 Å²	62	99.1 Å²	99.1	29%	0.29	50%	0.501	S	S	.	.	H	α-helix	trans	-92	-26.4	177.9	-67.7	-166.8	168.3	0	0	112.9	Y33 W46 F51 K52 L53	Y33-E49 VanDerWaalsContact CE1-OE2 3.24Å; Y33-E49 WeakPolarHBondContact CE1-OE2 3.25Å; Y33-E49 PolarHBondContact OH-OE2 3.06Å; W46-E49 PolarHBondContact O-N 3.09Å; E49-F51 VanDerWaalsContact C-N 3.26Å; E49-F51 PolarHBondContact O-N 3.39Å; E49-F51 VanDerWaalsContact O-N 3.09Å; E49-K52 PolarHBondContact O-N 3.48Å; E49-L53 WeakPolarHBondContact O-CG 3.29Å; E49-L53 PolarHBondContact O-N 3.28Å
50	K	70.1	Confident	71.5	Confident	51 Å²	51	95 Å²	95	22%	0.222	47%	0.473	C	S	.	.	H	α-helix	trans	-47	-44.4	-175.2	-176	178.5	-178.2	-177.6	0	113.9	W46 L47 P58	W46-K50 HydrophobicContact CZ2-CG 4.21Å; W46-K50 VanDerWaalsContact O-CB 3.29Å; W46-K50 WeakPolarHBondContact O-CB 3.31Å; W46-K50 PolarHBondContact O-N 3.41Å; L47-K50 HydrophobicContact CD2-CD 4.43Å; K50-P58 HydrophobicContact CD-CB 4.2Å; K50-P58 VanDerWaalsContact CE-CB 3.47Å; K50-P58 WeakPolarHBondContact CE-O 3.29Å; K50-P58 HydrophobicContact CG-CB 3.61Å; K50-P58 HydrophobicContact CG-CG 4.46Å
51	F	70	Confident	70.1	Confident	157 Å²	157	90 Å²	90	69%	0.689	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.9	-175.9	-60.4	-75	0	0	0	113.8	E49	E49-F51 VanDerWaalsContact C-N 3.26Å; E49-F51 PolarHBondContact O-N 3.39Å; E49-F51 VanDerWaalsContact O-N 3.09Å
52	K	76.7	Confident	68.6	Low	178 Å²	178	94.5 Å²	94.5	77%	0.774	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.8	-179.8	-61.4	179.6	-177.4	175	0	112.6	N48 E49 G54	N48-K52 WeakPolarHBondContact O-CE 3.21Å; E49-K52 PolarHBondContact O-N 3.48Å; K52-G54 VanDerWaalsContact C-N 3.3Å; K52-G54 PolarHBondContact O-N 3.25Å
53	L	72.3	Confident	66.9	Low	79 Å²	79	94.7 Å²	94.7	41%	0.414	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.7	-174.8	-69.3	165.1	0	0	0	114.4	W46 E49 L55	W46-L53 HydrophobicContact CZ3-CD1 4.27Å; E49-L53 WeakPolarHBondContact O-CG 3.29Å; E49-L53 PolarHBondContact O-N 3.28Å; L53-L55 HydrophobicContact CB-CD1 3.72Å; L53-L55 HydrophobicContact CB-CG 4.04Å; L53-L55 HydrophobicContact CD1-CD1 4.08Å; L53-L55 PolarHBondContact O-N 3.34Å
54	G	72	Confident	65.1	Low	51 Å²	51	95 Å²	95	53%	0.526	48%	0.476	S	S	.	.			trans	56.7	38.5	178	0	0	0	0	0	113.1	K52 K64	K52-G54 VanDerWaalsContact C-N 3.3Å; K52-G54 PolarHBondContact O-N 3.25Å; G54-K64 PolarHBondContact O-NZ 3.23Å
55	L	72.5	Confident	63	Low	53 Å²	53	104.1 Å²	104.1	28%	0.277	50%	0.503	S	S	.	.			trans	-86.7	123.5	176.7	-71.5	156.4	0	0	0	108.7	L53 F57	L53-L55 HydrophobicContact CB-CD1 3.72Å; L53-L55 HydrophobicContact CB-CG 4.04Å; L53-L55 HydrophobicContact CD1-CD1 4.08Å; L53-L55 PolarHBondContact O-N 3.34Å; L55-F57 PolarHBondContact O-N 2.91Å; L55-F57 VanDerWaalsContact O-N 3.16Å
56	D	72.4	Confident	61.1	Low	144 Å²	144	111.3 Å²	111.3	77%	0.77	53%	0.527	S	S	*	.	S	Bend	trans	-58.4	-28.9	176.4	-59.2	-40.3	0	0	0	111.9
57	F	61.4	Low	59.1	Low	176 Å²	176	121.1 Å²	121.1	77%	0.772	56%	0.564	S	S	*	*	S	Bend	trans	-132.7	101.6	171.5	-63.2	-78.3	0	0	0	109.4	L55 N59	L55-F57 PolarHBondContact O-N 2.91Å; L55-F57 VanDerWaalsContact O-N 3.16Å; F57-N59 PolarHBondContact O-N 2.58Å
58	P	57.5	Low	56.9	Low	48 Å²	48	125.7 Å²	125.7	31%	0.312	58%	0.581	S	S	.	*			trans	-78.1	87	-176.4	31.3	-35	0	0	0	110.6	K50	K50-P58 HydrophobicContact CD-CB 4.2Å; K50-P58 VanDerWaalsContact CE-CB 3.47Å; K50-P58 WeakPolarHBondContact CE-O 3.29Å; K50-P58 HydrophobicContact CG-CB 3.61Å; K50-P58 HydrophobicContact CG-CG 4.46Å
59	N	51.6	Low	54.8	Low	123 Å²	123	125.3 Å²	125.3	66%	0.658	58%	0.582	S	S	*	*			trans	-133.6	147.8	176	-168.3	28.9	0	0	0	111	F57 G61	F57-N59 PolarHBondContact O-N 2.58Å; N59-G61 PolarHBondContact O-N 3.31Å
60	V	56.2	Low	52.6	Low	23 Å²	23	132.1 Å²	132.1	14%	0.139	61%	0.605	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	36.4	-167.1	-174.1	0	0	0	0	113.3	Y7 W46	Y7-V60 HydrophobicContact CD2-CG1 3.57Å; Y7-V60 VanDerWaalsContact CD2-O 3.26Å; Y7-V60 WeakPolarHBondContact CD2-O 3.39Å; Y7-V60 HydrophobicContact CE2-CG1 3.84Å; Y7-V60 VanDerWaalsContact CE2-O 3.25Å; Y7-V60 WeakPolarHBondContact CE2-O 3.42Å; Y7-V60 HydrophobicContact CG-CG1 4.47Å; W46-V60 HydrophobicContact CD2-CG2 4.04Å; W46-V60 HydrophobicContact CH2-CG2 4.05Å; W46-V60 HydrophobicContact CZ2-CB 4.38Å; W46-V60 HydrophobicContact CZ2-CG2 3.36Å
61	G	47.7	Very low	51.2	Low	41 Å²	41	135.9 Å²	135.9	42%	0.423	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-166.7	26.7	-170.2	0	0	0	0	0	117.9	N59	N59-G61 PolarHBondContact O-N 3.31Å
62	R	40.3	Very low	49.5	Very low	228 Å²	228	135.3 Å²	135.3	86%	0.86	63%	0.63	S	S	*	*			trans	-134.3	119.1	172.9	-85.1	-167.9	172.1	139.6	-0.9	114.1
63	Q	41.9	Very low	47.5	Very low	92 Å²	92	137.1 Å²	137.1	43%	0.43	63%	0.632	S	S	.	*			trans	-63.9	125.6	165.2	-167.8	157	-15.7	0	0	109.7	M3 R65	M3-Q63 HydrophobicContact SD-CG 4.08Å; M3-Q63 PolarHBondContact SD-NE2 3.12Å; Q63-R65 PolarHBondContact O-N 2.9Å
64	K	40.6	Very low	45.6	Very low	153 Å²	153	144.9 Å²	144.9	67%	0.665	66%	0.656	S	S	*	*			trans	-71.1	79.8	176.1	-160.1	172.2	-171.4	168.3	0	108.8	G54 R66	G54-K64 PolarHBondContact O-NZ 3.23Å; K64-R66 PolarHBondContact O-N 2.93Å; K64-R66 VanDerWaalsContact O-N 3.15Å
65	R	33.9	Very low	44.1	Very low	234 Å²	234	148 Å²	148	88%	0.883	67%	0.665	S	S	*	*			trans	-68.7	109.3	166.8	-119.4	-173.3	174.8	178.2	-0.4	107	Q63 R67	Q63-R65 PolarHBondContact O-N 2.9Å; R65-R67 PolarHBondContact O-N 3.06Å
66	R	39.4	Very low	42.8	Very low	230 Å²	230	156 Å²	156	87%	0.868	69%	0.692	S	S	*	*			trans	-47	126.2	168.6	-75.3	174.1	83	163.6	3.4	107.5	K64 F68	K64-R66 PolarHBondContact O-N 2.93Å; K64-R66 VanDerWaalsContact O-N 3.15Å; R66-F68 PolarHBondContact O-N 3.25Å
67	R	33.8	Very low	41.2	Very low	229 Å²	229	154.8 Å²	154.8	86%	0.864	69%	0.692	S	S	*	*			trans	-53.3	100.9	175.5	-176.6	178.2	-76.8	-125.1	0.5	108.5	R65 V69	R65-R67 PolarHBondContact O-N 3.06Å; R67-V69 HydrophobicContact CG-CG2 4.26Å; R67-V69 PolarHBondContact O-N 3.32Å; R67-V69 VanDerWaalsContact O-N 3.12Å
68	F	31.6	Very low	39.8	Very low	182 Å²	182	156.9 Å²	156.9	80%	0.798	70%	0.695	S	S	*	*			trans	-72.5	99.9	168.6	-130.1	-92.6	0	0	0	105.7	R66 W70	R66-F68 PolarHBondContact O-N 3.25Å; F68-W70 PolarHBondContact O-N 3.16Å; F68-W70 VanDerWaalsContact O-N 3.16Å
69	V	35	Very low	38.9	Very low	98 Å²	98	160.8 Å²	160.8	59%	0.594	72%	0.718	S	S	*	*			trans	-71.7	104.8	169.5	166.9	0	0	0	0	106.6	R67 T71	R67-V69 HydrophobicContact CG-CG2 4.26Å; R67-V69 PolarHBondContact O-N 3.32Å; R67-V69 VanDerWaalsContact O-N 3.12Å; V69-T71 VanDerWaalsContact C-N 3.27Å; V69-T71 HydrophobicContact CG1-CG2 3.63Å; V69-T71 PolarHBondContact O-N 2.9Å; V69-T71 VanDerWaalsContact O-N 3.09Å
70	W	28	Very low	38.4	Very low	205 Å²	205	160.6 Å²	160.6	78%	0.777	72%	0.721	S	S	*	*			trans	-73.8	85.5	161.8	-97.7	76.2	0	0	0	108	F68 F72	F68-W70 PolarHBondContact O-N 3.16Å; F68-W70 VanDerWaalsContact O-N 3.16Å; W70-F72 VanDerWaalsContact C-N 3.28Å; W70-F72 HydrophobicContact CE3-CB 3.6Å; W70-F72 HydrophobicContact CE3-CG 4.47Å; W70-F72 HydrophobicContact CZ3-CB 3.73Å; W70-F72 HydrophobicContact CZ3-CD1 4.22Å; W70-F72 HydrophobicContact CZ3-CG 4.12Å
71	T	40	Very low	37.6	Very low	129 Å²	129	167.4 Å²	167.4	79%	0.791	76%	0.755	S	S	*	*			trans	-97	64.7	155.4	44.7	0	0	0	0	108.1	V69	V69-T71 VanDerWaalsContact C-N 3.27Å; V69-T71 HydrophobicContact CG1-CG2 3.63Å; V69-T71 PolarHBondContact O-N 2.9Å; V69-T71 VanDerWaalsContact O-N 3.09Å
72	F	35.4	Very low	37	Very low	145 Å²	145	171 Å²	171	64%	0.636	77%	0.773	S	S	*	*			trans	-98.3	97.1	156.7	-174.6	-97.9	0	0	0	105.5	W70	W70-F72 VanDerWaalsContact C-N 3.28Å; W70-F72 HydrophobicContact CE3-CB 3.6Å; W70-F72 HydrophobicContact CE3-CG 4.47Å; W70-F72 HydrophobicContact CZ3-CB 3.73Å; W70-F72 HydrophobicContact CZ3-CD1 4.22Å; W70-F72 HydrophobicContact CZ3-CG 4.12Å
73	W	33.8	Very low	36.7	Very low	217 Å²	217	164.8 Å²	164.8	82%	0.822	76%	0.764	S	S	*	*			trans	173.8	81.9	150.8	-91.9	105.6	0	0	0	107.7
74	R	32.6	Very low	36.3	Very low	241 Å²	241	172 Å²	172	91%	0.909	79%	0.788	S	S	*	*			trans	-164.4	95.7	141	-107.2	-179.4	-153	-137.9	5.8	108	R76	R74-R76 PolarHBondContact O-N 3.25Å
75	T	39.7	Very low	36.3	Very low	118 Å²	118	173.2 Å²	173.2	72%	0.724	83%	0.826	S	S	*	*			trans	-36.7	117.1	156.5	45	0	0	0	0	110.9
76	R	45.1	Very low	36.4	Very low	220 Å²	220	170.2 Å²	170.2	83%	0.83	82%	0.823	S	S	*	*			trans	-68	140.1	144.8	-85.2	-174	173.9	-159.6	-1.4	106.9	R74	R74-R76 PolarHBondContact O-N 3.25Å
77	P	40.2	Very low	36.2	Very low	119 Å²	119	167 Å²	167	77%	0.773	82%	0.82	S	S	*	*				-130	154.9	111	14.4	5.5	0	0	0	112.8
78	W	31.2	Very low	36.3	Very low	219 Å²	219	163.6 Å²	163.6	83%	0.83	82%	0.818	S	S	*	*			trans	-55.1	147.6	174.8	-75.2	48.3	0	0	0	113.6
79	T	38.4	Very low	36.6	Very low	131 Å²	131	162.5 Å²	162.5	80%	0.804	82%	0.819	S	S	*	*				-169.6	115.5	125.2	25.4	0	0	0	0	111.6
80	T	40.5	Very low	36.7	Very low	119 Å²	119	166.5 Å²	166.5	73%	0.73	83%	0.833	S	S	*	*			trans	55.6	112.2	134.7	-12.9	0	0	0	0	121.3
81	I	40.4	Very low	37.3	Very low	166 Å²	166	163.9 Å²	163.9	85%	0.851	84%	0.837	S	S	*	*			trans	-59.2	123.2	150.1	-67.7	163.9	0	0	0	108.9
82	C	35.2	Very low	37.1	Very low	117 Å²	117	166.4 Å²	166.4	79%	0.791	84%	0.84	S	S	*	*			trans	-158.7	94	158.1	-109.4	0	0	0	0	110.5
83	S	34.3	Very low	37.2	Very low	96 Å²	96	168.1 Å²	168.1	67%	0.671	86%	0.856	S	S	*	*				36	135.2	126.2	-135.2	0	0	0	0	122.1
84	W	34	Very low	37.5	Very low	245 Å²	245	164 Å²	164	93%	0.928	86%	0.859	S	S	*	*			trans	85.4	104.8	159.4	-59.7	87.9	0	0	0	120
85	A	38.8	Very low	38	Very low	177 Å²	177	157 Å²	157	100%	1.463	85%	0.854	S	S	*	*				-160.4	0	119.6	0	0	0	0	0	109.1

Retrieved 85 of 85 residues in 38.5 ms (Link to these results)

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