A0A077YZG8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 61 aa.

						>A0A077YZG8_TRITR|A0A077YZG8
MPLAVHPVKLTDAFLTGEPFQEWLVQTNCFSSPMLGSNNALMVIPCNSGCRSDAKNVPHCP
					

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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	M	41.7	Very low	49.7	Very low	173 Å²	173	91.4 Å²	91.4	85%	0.852	51%	0.509	S	S	*	.				0	119.1	0	48.4	-154.9	177.3	0	0	107.8	L3 N47	M1-L3 PolarHBondContact O-N 3.01Å; M1-N47 PolarHBondContact SD-OD1 3.4Å; M1-N47 VanDerWaalsContact SD-OD1 3.4Å
2	P	47.7	Very low	49.7	Very low	127 Å²	127	93.8 Å²	93.8	83%	0.825	52%	0.52	S	S	*	.			trans	-63.7	124.3	178.2	26.7	-31.3	0	0	0	108.5	A4	P2-A4 PolarHBondContact O-N 3.27Å; P2-A4 VanDerWaalsContact O-N 3.09Å
3	L	48	Very low	49.8	Very low	118 Å²	118	90.4 Å²	90.4	62%	0.618	51%	0.511	S	S	*	.			trans	-64.8	109.1	167.4	-97.7	71	0	0	0	107	M1 V5 P45	M1-L3 PolarHBondContact O-N 3.01Å; L3-V5 PolarHBondContact O-N 2.94Å; L3-P45 HydrophobicContact CD2-CB 3.73Å; L3-P45 HydrophobicContact CG-CB 3.92Å
4	A	47.7	Very low	50	Low	37 Å²	37	87.8 Å²	87.8	31%	0.306	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	109.6	166.9	0	0	0	0	0	107.4	P2	P2-A4 PolarHBondContact O-N 3.27Å; P2-A4 VanDerWaalsContact O-N 3.09Å
5	V	49.9	Very low	50.1	Low	84 Å²	84	91.8 Å²	91.8	51%	0.509	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	104.6	175.6	174.7	0	0	0	0	107.5	L3 V43	L3-V5 PolarHBondContact O-N 2.94Å; V5-V43 HydrophobicContact CB-CG1 4.3Å; V5-V43 HydrophobicContact CG1-CB 4.22Å; V5-V43 HydrophobicContact CG1-CG1 3.73Å; V5-V43 HydrophobicContact CG1-CG2 3.82Å; V5-V43 HydrophobicContact CG2-CG1 3.85Å
6	H	49.7	Very low	50.5	Low	48 Å²	48	92.7 Å²	92.7	22%	0.222	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.1	175	-69.8	-90.3	0	0	0	109.4	V8 P58 C60	H6-V8 PolarHBondContact O-N 3.02Å; H6-P58 HydrophobicContact CB-CB 4.17Å; H6-P58 HydrophobicContact CB-CG 4.05Å; H6-C60 VanDerWaalsContact CD2-SG 3.53Å
7	P	50.5	Low	50.6	Low	96 Å²	96	91 Å²	91	62%	0.623	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	103.1	171.8	28.3	-32.5	0	0	0	108.4	K9 L41	P7-K9 PolarHBondContact O-N 2.95Å; P7-L41 HydrophobicContact CB-CD2 3.64Å
8	V	52.2	Low	50.9	Low	18 Å²	18	93.3 Å²	93.3	11%	0.109	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	119.5	169.2	-176	0	0	0	0	107.7	H6 L10 W23 A40 M42 I44 P58	H6-V8 PolarHBondContact O-N 3.02Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 HydrophobicContact CG1-CG 4.5Å; V8-L10 PolarHBondContact O-N 2.7Å; V8-W23 HydrophobicContact CG1-CH2 4.43Å; V8-W23 HydrophobicContact CG1-CZ2 4.04Å; V8-W23 HydrophobicContact CG2-CH2 3.94Å; V8-W23 HydrophobicContact CG2-CZ2 4.18Å; V8-A40 VanDerWaalsContact O-O 3.13Å; V8-M42 HydrophobicContact CB-CB 3.85Å; V8-M42 HydrophobicContact CB-CE 4.45Å; V8-M42 HydrophobicContact CG1-CE 4.39Å; V8-M42 HydrophobicContact CG2-CB 4.18Å; V8-M42 PolarHBondContact N-O 3.48Å; V8-I44 HydrophobicContact CG2-CD1 3.78Å; V8-I44 HydrophobicContact CG2-CG1 4.14Å; V8-P58 HydrophobicContact CG2-CG 3.65Å
9	K	50.7	Low	51.1	Low	168 Å²	168	91.8 Å²	91.8	73%	0.73	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	97	163.9	-167.2	161.9	-175.7	167.5	0	106.7	P7 T11	P7-K9 PolarHBondContact O-N 2.95Å; K9-T11 VanDerWaalsContact C-N 3.29Å; K9-T11 PolarHBondContact O-N 2.67Å
10	L	52.8	Low	51.3	Low	37 Å²	37	88.8 Å²	88.8	19%	0.194	51%	0.507	C	S	.	.			trans	-62	96.2	168.9	-80.1	160.2	0	0	0	106.9	V8 F14 A40 M42	V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 HydrophobicContact CG1-CG 4.5Å; V8-L10 PolarHBondContact O-N 2.7Å; L10-F14 HydrophobicContact CB-CB 3.72Å; L10-F14 HydrophobicContact CB-CD1 4.35Å; L10-F14 HydrophobicContact CB-CG 3.93Å; L10-F14 HydrophobicContact CD1-CD1 3.69Å; L10-F14 HydrophobicContact CD1-CD2 4.12Å; L10-F14 HydrophobicContact CD1-CE1 3.84Å; L10-F14 HydrophobicContact CD1-CE2 4.32Å; L10-F14 HydrophobicContact CD1-CG 3.81Å; L10-F14 HydrophobicContact CD1-CZ 4.15Å; L10-F14 HydrophobicContact CD2-CB 3.81Å; L10-F14 HydrophobicContact CD2-CD1 4.19Å; L10-F14 HydrophobicContact CD2-CD2 3.17Å; L10-F14 HydrophobicContact CD2-CE2 3.77Å; L10-F14 HydrophobicContact CD2-CG 3.43Å; L10-F14 VanDerWaalsContact CD2-CG 3.43Å; L10-F14 HydrophobicContact CD2-CZ 4.42Å; L10-F14 HydrophobicContact CG-CB 4.19Å; L10-F14 HydrophobicContact CG-CD1 4.26Å; L10-F14 HydrophobicContact CG-CD2 4.11Å; L10-F14 HydrophobicContact CG-CG 3.89Å; L10-A40 HydrophobicContact CB-CB 4.02Å; L10-A40 HydrophobicContact CD1-CB 3.3Å; L10-A40 WeakPolarHBondContact CD1-O 3.07Å; L10-A40 HydrophobicContact CG-CB 4.26Å; L10-M42 HydrophobicContact CD1-CB 4.18Å; L10-M42 HydrophobicContact CD1-CE 4.12Å; L10-M42 HydrophobicContact CD2-CE 3.57Å; L10-M42 HydrophobicContact CG-CE 4.08Å
11	T	55.5	Low	51.3	Low	99 Å²	99	91.4 Å²	91.4	61%	0.607	52%	0.515	S	S	*	.			trans	-64.3	162.4	170.8	44.1	0	0	0	0	109	K9 A13 F14	K9-T11 VanDerWaalsContact C-N 3.29Å; K9-T11 PolarHBondContact O-N 2.67Å; T11-A13 WeakPolarHBondContact O-CA 3.48Å; T11-A13 PolarHBondContact O-N 3.3Å; T11-F14 PolarHBondContact O-N 3.16Å
12	D	49.9	Very low	51.6	Low	121 Å²	121	89.1 Å²	89.1	65%	0.647	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-38	-21	-173.2	-80.4	-107.2	0	0	0	117.7	F14 L15 T16	D12-F14 PolarHBondContact O-N 3.48Å; D12-L15 PolarHBondContact O-N 2.76Å; D12-T16 PolarHBondContact O-N 3Å; D12-T16 PolarHBondContact O-OG1 2.77Å
13	A	50.9	Low	51.7	Low	49 Å²	49	85.5 Å²	85.5	41%	0.405	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-47	-36.3	166.6	0	0	0	0	0	113.7	T11 T16 E18	T11-A13 WeakPolarHBondContact O-CA 3.48Å; T11-A13 PolarHBondContact O-N 3.3Å; A13-T16 VanDerWaalsContact C-OG1 3.26Å; A13-T16 WeakPolarHBondContact CA-OG1 3.41Å; A13-T16 PolarHBondContact O-OG1 3.43Å; A13-E18 WeakPolarHBondContact O-CB 3.41Å
14	F	53	Low	51.9	Low	54 Å²	54	81.3 Å²	81.3	24%	0.237	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-77.2	-30.2	179.3	-144.2	-111.1	0	0	0	114.2	L10 T11 D12 T16 F20 L35 A40	L10-F14 HydrophobicContact CB-CB 3.72Å; L10-F14 HydrophobicContact CB-CD1 4.35Å; L10-F14 HydrophobicContact CB-CG 3.93Å; L10-F14 HydrophobicContact CD1-CD1 3.69Å; L10-F14 HydrophobicContact CD1-CD2 4.12Å; L10-F14 HydrophobicContact CD1-CE1 3.84Å; L10-F14 HydrophobicContact CD1-CE2 4.32Å; L10-F14 HydrophobicContact CD1-CG 3.81Å; L10-F14 HydrophobicContact CD1-CZ 4.15Å; L10-F14 HydrophobicContact CD2-CB 3.81Å; L10-F14 HydrophobicContact CD2-CD1 4.19Å; L10-F14 HydrophobicContact CD2-CD2 3.17Å; L10-F14 HydrophobicContact CD2-CE2 3.77Å; L10-F14 HydrophobicContact CD2-CG 3.43Å; L10-F14 VanDerWaalsContact CD2-CG 3.43Å; L10-F14 HydrophobicContact CD2-CZ 4.42Å; L10-F14 HydrophobicContact CG-CB 4.19Å; L10-F14 HydrophobicContact CG-CD1 4.26Å; L10-F14 HydrophobicContact CG-CD2 4.11Å; L10-F14 HydrophobicContact CG-CG 3.89Å; T11-F14 PolarHBondContact O-N 3.16Å; D12-F14 PolarHBondContact O-N 3.48Å; F14-T16 VanDerWaalsContact C-N 3.33Å; F14-F20 HydrophobicContact CD2-CD2 4.17Å; F14-F20 HydrophobicContact CE1-CD2 4.45Å; F14-F20 HydrophobicContact CE2-CB 3.35Å; F14-F20 AromaticContact CE2-CD2 3Å; F14-F20 HydrophobicContact CE2-CD2 3Å; F14-F20 AromaticContact CE2-CE2 3.84Å; F14-F20 HydrophobicContact CE2-CE2 3.84Å; F14-F20 AromaticContact CE2-CG 3.46Å; F14-F20 HydrophobicContact CE2-CG 3.46Å; F14-F20 VanDerWaalsContact CE2-CG 3.46Å; F14-F20 HydrophobicContact CZ-CB 3.56Å; F14-F20 HydrophobicContact CZ-CD1 4.31Å; F14-F20 AromaticContact CZ-CD2 3.15Å; F14-F20 HydrophobicContact CZ-CD2 3.15Å; F14-F20 AromaticContact CZ-CE2 3.67Å; F14-F20 HydrophobicContact CZ-CE2 3.67Å; F14-F20 AromaticContact CZ-CG 3.43Å; F14-F20 HydrophobicContact CZ-CG 3.43Å; F14-F20 VanDerWaalsContact CZ-CG 3.43Å; F14-L35 HydrophobicContact CE1-CD1 4.19Å; F14-A40 HydrophobicContact CD1-CB 4.02Å; F14-A40 HydrophobicContact CE1-CB 4.37Å
15	L	51.7	Low	52.1	Low	148 Å²	148	84.9 Å²	84.9	78%	0.775	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-20.9	176.4	-69.9	162.7	0	0	0	111.4	D12 G17	D12-L15 PolarHBondContact O-N 2.76Å; L15-G17 VanDerWaalsContact C-N 3.32Å
16	T	56	Low	52	Low	106 Å²	106	86.1 Å²	86.1	65%	0.65	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	3.9	-179.7	36.5	0	0	0	0	114	D12 A13 F14	D12-T16 PolarHBondContact O-N 3Å; D12-T16 PolarHBondContact O-OG1 2.77Å; A13-T16 VanDerWaalsContact C-OG1 3.26Å; A13-T16 WeakPolarHBondContact CA-OG1 3.41Å; A13-T16 PolarHBondContact O-OG1 3.43Å; F14-T16 VanDerWaalsContact C-N 3.33Å
17	G	53.1	Low	52.1	Low	64 Å²	64	84 Å²	84	66%	0.66	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	14.6	172.5	0	0	0	0	0	114.7	L15	L15-G17 VanDerWaalsContact C-N 3.32Å
18	E	55.6	Low	52.2	Low	133 Å²	133	86.3 Å²	86.3	62%	0.621	47%	0.466	S	S	*	.			trans	-61	135.1	169.5	-67	-91.4	85.6	0	0	109.2	A13 F20	A13-E18 WeakPolarHBondContact O-CB 3.41Å; E18-F20 PolarHBondContact O-N 3.47Å
19	P	54.7	Low	52.1	Low	64 Å²	64	86.2 Å²	86.2	42%	0.416	47%	0.466	S	S	.	.			trans	-65.1	104.4	-176.7	26.5	-33.9	0	0	0	109.6	Q21 E22	P19-Q21 PolarHBondContact O-N 2.83Å; P19-E22 HydrophobicContact CB-CG 4.34Å; P19-E22 HydrophobicContact CG-CB 4.23Å; P19-E22 HydrophobicContact CG-CG 3.75Å; P19-E22 WeakPolarHBondContact CG-OE2 3.01Å; P19-E22 PolarHBondContact O-N 2.93Å
20	F	54.3	Low	52.3	Low	31 Å²	31	86.6 Å²	86.6	14%	0.136	47%	0.468	C	S	.	.	H	α-helix	trans	-41.7	-33.7	165.9	-177.7	-123.5	0	0	0	113.4	F14 E18 E22 W23 L24 P33 M42	F14-F20 HydrophobicContact CD2-CD2 4.17Å; F14-F20 HydrophobicContact CE1-CD2 4.45Å; F14-F20 HydrophobicContact CE2-CB 3.35Å; F14-F20 AromaticContact CE2-CD2 3Å; F14-F20 HydrophobicContact CE2-CD2 3Å; F14-F20 AromaticContact CE2-CE2 3.84Å; F14-F20 HydrophobicContact CE2-CE2 3.84Å; F14-F20 AromaticContact CE2-CG 3.46Å; F14-F20 HydrophobicContact CE2-CG 3.46Å; F14-F20 VanDerWaalsContact CE2-CG 3.46Å; F14-F20 HydrophobicContact CZ-CB 3.56Å; F14-F20 HydrophobicContact CZ-CD1 4.31Å; F14-F20 AromaticContact CZ-CD2 3.15Å; F14-F20 HydrophobicContact CZ-CD2 3.15Å; F14-F20 AromaticContact CZ-CE2 3.67Å; F14-F20 HydrophobicContact CZ-CE2 3.67Å; F14-F20 AromaticContact CZ-CG 3.43Å; F14-F20 HydrophobicContact CZ-CG 3.43Å; F14-F20 VanDerWaalsContact CZ-CG 3.43Å; E18-F20 PolarHBondContact O-N 3.47Å; F20-E22 VanDerWaalsContact C-N 3.35Å; F20-E22 PolarHBondContact O-N 3.18Å; F20-W23 PolarHBondContact O-N 3.41Å; F20-L24 HydrophobicContact CD1-CD1 3.58Å; F20-L24 HydrophobicContact CD1-CG 4.06Å; F20-L24 HydrophobicContact CD2-CG 4.36Å; F20-L24 HydrophobicContact CE1-CD1 3.06Å; F20-L24 HydrophobicContact CE1-CD2 4.38Å; F20-L24 HydrophobicContact CE1-CG 3.73Å; F20-L24 HydrophobicContact CE2-CD1 4.42Å; F20-L24 HydrophobicContact CE2-CD2 4.44Å; F20-L24 HydrophobicContact CE2-CG 4.26Å; F20-L24 HydrophobicContact CG-CD1 4.38Å; F20-L24 HydrophobicContact CG-CG 4.38Å; F20-L24 HydrophobicContact CZ-CD1 3.58Å; F20-L24 HydrophobicContact CZ-CD2 4.06Å; F20-L24 HydrophobicContact CZ-CG 3.86Å; F20-L24 WeakPolarHBondContact O-CG 3.48Å; F20-L24 PolarHBondContact O-N 2.95Å; F20-P33 HydrophobicContact CD1-CB 4.4Å; F20-P33 HydrophobicContact CD1-CG 4.31Å; F20-P33 HydrophobicContact CE1-CB 3.46Å; F20-P33 VanDerWaalsContact CE1-CB 3.46Å; F20-P33 HydrophobicContact CE1-CG 3.44Å; F20-P33 VanDerWaalsContact CE1-CG 3.44Å; F20-P33 HydrophobicContact CE2-CB 4.42Å; F20-P33 HydrophobicContact CZ-CB 3.47Å; F20-P33 VanDerWaalsContact CZ-CB 3.47Å; F20-P33 HydrophobicContact CZ-CG 3.96Å; F20-M42 HydrophobicContact CD2-CE 3.9Å; F20-M42 HydrophobicContact CD2-SD 4.25Å; F20-M42 HydrophobicContact CE2-CE 3.25Å; F20-M42 HydrophobicContact CE2-CG 3.73Å; F20-M42 HydrophobicContact CE2-SD 3.2Å; F20-M42 WeakPolarHBondContact CE2-SD 3.1Å; F20-M42 HydrophobicContact CZ-CE 4.19Å; F20-M42 HydrophobicContact CZ-CG 3.79Å; F20-M42 HydrophobicContact CZ-SD 3.53Å; F20-M42 VanDerWaalsContact CZ-SD 3.53Å
21	Q	51.1	Low	52.3	Low	145 Å²	145	85.5 Å²	85.5	68%	0.678	46%	0.463	S	S	*	.	H	α-helix	trans	-60.7	-39	177.1	-71.1	-141.3	80	0	0	112.7	P19 W23 L24 V25	P19-Q21 PolarHBondContact O-N 2.83Å; Q21-W23 VanDerWaalsContact C-N 3.32Å; Q21-W23 PolarHBondContact O-N 3.29Å; Q21-L24 PolarHBondContact O-N 3.45Å; Q21-V25 WeakPolarHBondContact O-CB 2.92Å; Q21-V25 WeakPolarHBondContact O-CG2 3.38Å; Q21-V25 PolarHBondContact O-N 3.14Å
22	E	49	Very low	52	Low	125 Å²	125	83.7 Å²	83.7	58%	0.584	45%	0.454	S	S	*	.	H	α-helix	trans	-65.7	-39.3	177.8	-73.3	-165.2	79.5	0	0	111.6	P19 F20 V25 Q26	P19-E22 HydrophobicContact CB-CG 4.34Å; P19-E22 HydrophobicContact CG-CB 4.23Å; P19-E22 HydrophobicContact CG-CG 3.75Å; P19-E22 WeakPolarHBondContact CG-OE2 3.01Å; P19-E22 PolarHBondContact O-N 2.93Å; F20-E22 VanDerWaalsContact C-N 3.35Å; F20-E22 PolarHBondContact O-N 3.18Å; E22-V25 PolarHBondContact O-N 3.07Å; E22-Q26 WeakPolarHBondContact O-CG 3.12Å; E22-Q26 PolarHBondContact O-N 2.97Å; E22-Q26 VanDerWaalsContact O-N 3.16Å
23	W	49.7	Very low	52.1	Low	51 Å²	51	81.3 Å²	81.3	19%	0.193	45%	0.446	C	S	.	.	H	α-helix	trans	-65.8	-40.2	176.4	-172	93.6	0	0	0	111.5	V8 F20 Q21 T27 M42 I44 N56 V57	V8-W23 HydrophobicContact CG1-CH2 4.43Å; V8-W23 HydrophobicContact CG1-CZ2 4.04Å; V8-W23 HydrophobicContact CG2-CH2 3.94Å; V8-W23 HydrophobicContact CG2-CZ2 4.18Å; F20-W23 PolarHBondContact O-N 3.41Å; Q21-W23 VanDerWaalsContact C-N 3.32Å; Q21-W23 PolarHBondContact O-N 3.29Å; W23-T27 HydrophobicContact CZ3-CG2 4.3Å; W23-M42 HydrophobicContact CD2-CE 3.91Å; W23-M42 HydrophobicContact CE3-CE 3.41Å; W23-M42 VanDerWaalsContact CE3-CE 3.41Å; W23-M42 HydrophobicContact CE3-SD 3.59Å; W23-M42 VanDerWaalsContact CE3-SD 3.59Å; W23-M42 HydrophobicContact CH2-CE 3.21Å; W23-M42 HydrophobicContact CH2-SD 3.38Å; W23-M42 WeakPolarHBondContact CH2-SD 3.21Å; W23-M42 HydrophobicContact CZ2-CE 3.77Å; W23-M42 HydrophobicContact CZ2-SD 4.47Å; W23-M42 HydrophobicContact CZ3-CE 3.14Å; W23-M42 HydrophobicContact CZ3-SD 2.92Å; W23-M42 WeakPolarHBondContact CZ3-SD 3.47Å; W23-I44 HydrophobicContact CH2-CD1 3.29Å; W23-I44 HydrophobicContact CH2-CG1 3.79Å; W23-I44 HydrophobicContact CZ2-CD1 4.22Å; W23-I44 HydrophobicContact CZ3-CD1 3.93Å; W23-I44 HydrophobicContact CZ3-CG1 4.09Å; W23-N56 PolarHBondContact NE1-O 2.8Å; W23-V57 HydrophobicContact CD2-CG1 4.18Å; W23-V57 HydrophobicContact CH2-CG1 4.27Å; W23-V57 HydrophobicContact CZ2-CB 4.24Å; W23-V57 HydrophobicContact CZ2-CG1 3.73Å
24	L	52.9	Low	51.8	Low	29 Å²	29	85.4 Å²	85.4	15%	0.152	46%	0.458	C	S	.	.	H	α-helix	trans	-69.8	-39.9	174.8	-73.9	-170.4	0	0	0	113.7	F20 Q21 Q26 T27 S31 M42	F20-L24 HydrophobicContact CD1-CD1 3.58Å; F20-L24 HydrophobicContact CD1-CG 4.06Å; F20-L24 HydrophobicContact CD2-CG 4.36Å; F20-L24 HydrophobicContact CE1-CD1 3.06Å; F20-L24 HydrophobicContact CE1-CD2 4.38Å; F20-L24 HydrophobicContact CE1-CG 3.73Å; F20-L24 HydrophobicContact CE2-CD1 4.42Å; F20-L24 HydrophobicContact CE2-CD2 4.44Å; F20-L24 HydrophobicContact CE2-CG 4.26Å; F20-L24 HydrophobicContact CG-CD1 4.38Å; F20-L24 HydrophobicContact CG-CG 4.38Å; F20-L24 HydrophobicContact CZ-CD1 3.58Å; F20-L24 HydrophobicContact CZ-CD2 4.06Å; F20-L24 HydrophobicContact CZ-CG 3.86Å; F20-L24 WeakPolarHBondContact O-CG 3.48Å; F20-L24 PolarHBondContact O-N 2.95Å; Q21-L24 PolarHBondContact O-N 3.45Å; L24-Q26 PolarHBondContact O-N 3.18Å; L24-T27 PolarHBondContact O-N 3.3Å; L24-T27 PolarHBondContact O-OG1 2.88Å; L24-S31 WeakPolarHBondContact CD2-OG 2.82Å; L24-M42 HydrophobicContact CD2-SD 3.84Å
25	V	50.6	Low	51.7	Low	112 Å²	112	89.3 Å²	89.3	68%	0.679	48%	0.481	S	S	*	.	H	α-helix	trans	-61.1	-33.9	178.9	166.4	0	0	0	0	110.6	Q21 E22 T27	Q21-V25 WeakPolarHBondContact O-CB 2.92Å; Q21-V25 WeakPolarHBondContact O-CG2 3.38Å; Q21-V25 PolarHBondContact O-N 3.14Å; E22-V25 PolarHBondContact O-N 3.07Å; V25-T27 VanDerWaalsContact C-N 3.34Å; V25-T27 PolarHBondContact O-N 3.43Å
26	Q	48.4	Very low	51.4	Low	111 Å²	111	84 Å²	84	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-71	-25	174.8	-71.5	-172.9	21.5	0	0	114.1	E22 L24 A54	E22-Q26 WeakPolarHBondContact O-CG 3.12Å; E22-Q26 PolarHBondContact O-N 2.97Å; E22-Q26 VanDerWaalsContact O-N 3.16Å; L24-Q26 PolarHBondContact O-N 3.18Å; Q26-A54 HydrophobicContact CB-CB 3.98Å; Q26-A54 VanDerWaalsContact OE1-CB 3.26Å
27	T	51.4	Low	50.6	Low	3 Å²	3	84.5 Å²	84.5	2%	0.018	47%	0.469	C	S	.	.	H	α-helix	trans	-82.5	-16	-176.3	56.4	0	0	0	0	114.8	W23 L24 V25 C29 V57	W23-T27 HydrophobicContact CZ3-CG2 4.3Å; L24-T27 PolarHBondContact O-N 3.3Å; L24-T27 PolarHBondContact O-OG1 2.88Å; V25-T27 VanDerWaalsContact C-N 3.34Å; V25-T27 PolarHBondContact O-N 3.43Å; T27-C29 PolarHBondContact O-N 2.9Å; T27-C29 PolarHBondContact O-SG 3.06Å; T27-C29 VanDerWaalsContact O-SG 3.41Å; T27-V57 HydrophobicContact CG2-CB 3.76Å; T27-V57 HydrophobicContact CG2-CG1 3.19Å; T27-V57 HydrophobicContact CG2-CG2 4.09Å
28	N	51.8	Low	50.4	Low	145 Å²	145	89.1 Å²	89.1	78%	0.775	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	24.7	-169.8	-146.7	-33.9	0	0	0	112.7
29	C	52	Low	50.2	Low	16 Å²	16	88 Å²	88	11%	0.108	48%	0.477	C	S	.	.	S	Bend	trans	-109.3	139.2	177.5	-64.7	0	0	0	0	108.9	T27 S31 I44 C50	T27-C29 PolarHBondContact O-N 2.9Å; T27-C29 PolarHBondContact O-SG 3.06Å; T27-C29 VanDerWaalsContact O-SG 3.41Å; C29-S31 VanDerWaalsContact C-N 3.3Å; C29-S31 PolarHBondContact O-N 3.09Å; C29-I44 HydrophobicContact CB-CG2 3.82Å; C29-C50 WeakPolarHBondContact CA-SG 3.38Å; C29-C50 HydrophobicContact CB-CB 4.4Å; C29-C50 WeakPolarHBondContact CB-SG 3.46Å; C29-C50 WeakPolarHBondContact SG-CB 3.03Å; C29-C50 CovalentContact SG-SG 2.02Å; C29-C50 PolarHBondContact SG-SG 3.09Å
30	F	53.2	Low	50.1	Low	176 Å²	176	86.2 Å²	86.2	77%	0.772	47%	0.468	S	S	*	.			trans	-73.3	78.1	172.7	-174.1	-96.1	0	0	0	110.5	P45	F30-P45 WeakPolarHBondContact O-CD 3.2Å; F30-P45 WeakPolarHBondContact O-CG 3.2Å
31	S	53.5	Low	49.9	Very low	13 Å²	13	88.8 Å²	88.8	9%	0.091	48%	0.482	C	S	.	.			trans	-85.6	129.5	176.5	-46.8	0	0	0	0	111.2	L24 C29 P33	L24-S31 WeakPolarHBondContact CD2-OG 2.82Å; C29-S31 VanDerWaalsContact C-N 3.3Å; C29-S31 PolarHBondContact O-N 3.09Å; S31-P33 WeakPolarHBondContact O-CD 3.47Å
32	S	49.7	Very low	49.9	Very low	61 Å²	61	82 Å²	82	43%	0.427	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.1	166.2	-64.9	0	0	0	0	108.1	M34	S32-M34 PolarHBondContact O-N 2.92Å
33	P	50.6	Low	50.1	Low	71 Å²	71	78.1 Å²	78.1	46%	0.461	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	111.3	171.2	21.9	-27.6	0	0	0	109.2	F20 S31	F20-P33 HydrophobicContact CD1-CB 4.4Å; F20-P33 HydrophobicContact CD1-CG 4.31Å; F20-P33 HydrophobicContact CE1-CB 3.46Å; F20-P33 VanDerWaalsContact CE1-CB 3.46Å; F20-P33 HydrophobicContact CE1-CG 3.44Å; F20-P33 VanDerWaalsContact CE1-CG 3.44Å; F20-P33 HydrophobicContact CE2-CB 4.42Å; F20-P33 HydrophobicContact CZ-CB 3.47Å; F20-P33 VanDerWaalsContact CZ-CB 3.47Å; F20-P33 HydrophobicContact CZ-CG 3.96Å; S31-P33 WeakPolarHBondContact O-CD 3.47Å
34	M	45.3	Very low	50.5	Low	135 Å²	135	75.8 Å²	75.8	67%	0.665	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	102.3	162.6	-82.5	-81.2	168.8	0	0	107.1	S32 G36	S32-M34 PolarHBondContact O-N 2.92Å; M34-G36 VanDerWaalsContact C-N 3.35Å; M34-G36 PolarHBondContact O-N 2.88Å
35	L	51.7	Low	50.4	Low	137 Å²	137	75.7 Å²	75.7	72%	0.717	43%	0.428	S	S	*	.			trans	-74.6	89.4	175.7	-128.9	76.6	0	0	0	109.1	F14	F14-L35 HydrophobicContact CE1-CD1 4.19Å
36	G	44.7	Very low	50.5	Low	35 Å²	35	71.3 Å²	71.3	36%	0.361	40%	0.402	S	S	.	.			trans	-79.4	128.7	170.8	0	0	0	0	0	110.7	M34 N38 N39	M34-G36 VanDerWaalsContact C-N 3.35Å; M34-G36 PolarHBondContact O-N 2.88Å; G36-N38 PolarHBondContact O-N 2.95Å; G36-N39 CarbonylContact O-C 3.38Å; G36-N39 PolarHBondContact O-N 2.69Å
37	S	38.9	Very low	50.7	Low	118 Å²	118	70.3 Å²	70.3	83%	0.825	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	10.9	-160	-158.5	0	0	0	0	119.5
38	N	50.2	Low	50.8	Low	161 Å²	161	76 Å²	76	86%	0.861	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.7	-13.2	175.6	-90.1	-62.5	0	0	0	113.8	G36	G36-N38 PolarHBondContact O-N 2.95Å
39	N	51	Low	50.8	Low	108 Å²	108	72.3 Å²	72.3	58%	0.578	44%	0.436	S	S	*	.	S	Bend	trans	-135.1	110.2	167	-77.9	-32.8	0	0	0	103.9	G36 L41	G36-N39 CarbonylContact O-C 3.38Å; G36-N39 PolarHBondContact O-N 2.69Å; N39-L41 VanDerWaalsContact C-N 3.27Å; N39-L41 HydrophobicContact CB-CG 4.41Å; N39-L41 PolarHBondContact O-N 2.02Å
40	A	52.1	Low	50.8	Low	27 Å²	27	72.7 Å²	72.7	22%	0.223	44%	0.439	C	S	.	.			trans	-63.3	101.8	171.1	0	0	0	0	0	106.1	V8 L10 F14 M42	V8-A40 VanDerWaalsContact O-O 3.13Å; L10-A40 HydrophobicContact CB-CB 4.02Å; L10-A40 HydrophobicContact CD1-CB 3.3Å; L10-A40 WeakPolarHBondContact CD1-O 3.07Å; L10-A40 HydrophobicContact CG-CB 4.26Å; F14-A40 HydrophobicContact CD1-CB 4.02Å; F14-A40 HydrophobicContact CE1-CB 4.37Å; A40-M42 PolarHBondContact O-N 1.97Å
41	L	50.2	Low	50.7	Low	85 Å²	85	73.2 Å²	73.2	45%	0.445	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	101.6	178.1	-78.1	169.1	0	0	0	105.5	P7 N39 V43	P7-L41 HydrophobicContact CB-CD2 3.64Å; N39-L41 VanDerWaalsContact C-N 3.27Å; N39-L41 HydrophobicContact CB-CG 4.41Å; N39-L41 PolarHBondContact O-N 2.02Å; L41-V43 PolarHBondContact O-N 3.39Å
42	M	51.5	Low	50.6	Low	2 Å²	2	74.7 Å²	74.7	1%	0.01	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.5	171.9	-150.9	-172.7	-40	0	0	109.3	V8 L10 F20 W23 L24 A40 I44	V8-M42 HydrophobicContact CB-CB 3.85Å; V8-M42 HydrophobicContact CB-CE 4.45Å; V8-M42 HydrophobicContact CG1-CE 4.39Å; V8-M42 HydrophobicContact CG2-CB 4.18Å; V8-M42 PolarHBondContact N-O 3.48Å; L10-M42 HydrophobicContact CD1-CB 4.18Å; L10-M42 HydrophobicContact CD1-CE 4.12Å; L10-M42 HydrophobicContact CD2-CE 3.57Å; L10-M42 HydrophobicContact CG-CE 4.08Å; F20-M42 HydrophobicContact CD2-CE 3.9Å; F20-M42 HydrophobicContact CD2-SD 4.25Å; F20-M42 HydrophobicContact CE2-CE 3.25Å; F20-M42 HydrophobicContact CE2-CG 3.73Å; F20-M42 HydrophobicContact CE2-SD 3.2Å; F20-M42 WeakPolarHBondContact CE2-SD 3.1Å; F20-M42 HydrophobicContact CZ-CE 4.19Å; F20-M42 HydrophobicContact CZ-CG 3.79Å; F20-M42 HydrophobicContact CZ-SD 3.53Å; F20-M42 VanDerWaalsContact CZ-SD 3.53Å; W23-M42 HydrophobicContact CD2-CE 3.91Å; W23-M42 HydrophobicContact CE3-CE 3.41Å; W23-M42 VanDerWaalsContact CE3-CE 3.41Å; W23-M42 HydrophobicContact CE3-SD 3.59Å; W23-M42 VanDerWaalsContact CE3-SD 3.59Å; W23-M42 HydrophobicContact CH2-CE 3.21Å; W23-M42 HydrophobicContact CH2-SD 3.38Å; W23-M42 WeakPolarHBondContact CH2-SD 3.21Å; W23-M42 HydrophobicContact CZ2-CE 3.77Å; W23-M42 HydrophobicContact CZ2-SD 4.47Å; W23-M42 HydrophobicContact CZ3-CE 3.14Å; W23-M42 HydrophobicContact CZ3-SD 2.92Å; W23-M42 WeakPolarHBondContact CZ3-SD 3.47Å; L24-M42 HydrophobicContact CD2-SD 3.84Å; A40-M42 PolarHBondContact O-N 1.97Å; M42-I44 HydrophobicContact SD-CG1 4.18Å
43	V	52.3	Low	50.5	Low	45 Å²	45	77.6 Å²	77.6	27%	0.273	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	103.2	167.4	176.1	0	0	0	0	106.8	V5 L41 P45	V5-V43 HydrophobicContact CB-CG1 4.3Å; V5-V43 HydrophobicContact CG1-CB 4.22Å; V5-V43 HydrophobicContact CG1-CG1 3.73Å; V5-V43 HydrophobicContact CG1-CG2 3.82Å; V5-V43 HydrophobicContact CG2-CG1 3.85Å; L41-V43 PolarHBondContact O-N 3.39Å; V43-P45 WeakPolarHBondContact O-CD 2.84Å
44	I	57.7	Low	50.4	Low	2 Å²	2	74.6 Å²	74.6	1%	0.01	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.9	167.6	-47.2	172.8	0	0	0	106.8	V8 W23 C29 M42 C46 P58	V8-I44 HydrophobicContact CG2-CD1 3.78Å; V8-I44 HydrophobicContact CG2-CG1 4.14Å; W23-I44 HydrophobicContact CH2-CD1 3.29Å; W23-I44 HydrophobicContact CH2-CG1 3.79Å; W23-I44 HydrophobicContact CZ2-CD1 4.22Å; W23-I44 HydrophobicContact CZ3-CD1 3.93Å; W23-I44 HydrophobicContact CZ3-CG1 4.09Å; C29-I44 HydrophobicContact CB-CG2 3.82Å; M42-I44 HydrophobicContact SD-CG1 4.18Å; I44-C46 PolarHBondContact O-N 3.06Å; I44-C46 VanDerWaalsContact O-N 3.12Å; I44-P58 HydrophobicContact CD1-CG 3.35Å
45	P	52.4	Low	50.4	Low	27 Å²	27	78.3 Å²	78.3	18%	0.175	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	102.2	165.4	30.8	-28.4	0	0	0	107.1	L3 F30 V43 N47	L3-P45 HydrophobicContact CD2-CB 3.73Å; L3-P45 HydrophobicContact CG-CB 3.92Å; F30-P45 WeakPolarHBondContact O-CD 3.2Å; F30-P45 WeakPolarHBondContact O-CG 3.2Å; V43-P45 WeakPolarHBondContact O-CD 2.84Å; P45-N47 PolarHBondContact O-N 2.99Å; P45-N47 VanDerWaalsContact O-N 3.11Å
46	C	52.6	Low	50.2	Low	19 Å²	19	78.4 Å²	78.4	13%	0.128	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	103.7	169.5	-80.5	0	0	0	0	109.8	I44 C60	I44-C46 PolarHBondContact O-N 3.06Å; I44-C46 VanDerWaalsContact O-N 3.12Å; C46-C60 HydrophobicContact CB-CB 3.35Å; C46-C60 WeakPolarHBondContact CB-SG 2.79Å; C46-C60 WeakPolarHBondContact SG-CB 3.33Å; C46-C60 CovalentContact SG-SG 1.97Å; C46-C60 PolarHBondContact SG-SG 3.29Å
47	N	52.8	Low	50.3	Low	90 Å²	90	77.5 Å²	77.5	48%	0.481	44%	0.439	S	S	.	.			trans	-74.8	141.4	158.5	-164.4	3.5	0	0	0	107.3	M1 P45 G49 C50	M1-N47 PolarHBondContact SD-OD1 3.4Å; M1-N47 VanDerWaalsContact SD-OD1 3.4Å; P45-N47 PolarHBondContact O-N 2.99Å; P45-N47 VanDerWaalsContact O-N 3.11Å; N47-G49 PolarHBondContact O-N 3.11Å; N47-C50 PolarHBondContact O-N 3.05Å
48	S	53.6	Low	50.7	Low	123 Å²	123	73.7 Å²	73.7	86%	0.86	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	10.3	-174.8	-53.6	0	0	0	0	115.7
49	G	50.5	Low	50.5	Low	67 Å²	67	73.2 Å²	73.2	69%	0.691	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	5.9	173.4	0	0	0	0	0	114.9	N47 R51	N47-G49 PolarHBondContact O-N 3.11Å; G49-R51 PolarHBondContact O-N 3.12Å; G49-R51 VanDerWaalsContact O-N 3.09Å
50	C	53.4	Low	50	Low	24 Å²	24	69.5 Å²	69.5	16%	0.162	39%	0.386	C	S	.	.			trans	-69.7	106.2	176	-73.7	0	0	0	0	110.9	C29 N47 S52	C29-C50 WeakPolarHBondContact CA-SG 3.38Å; C29-C50 HydrophobicContact CB-CB 4.4Å; C29-C50 WeakPolarHBondContact CB-SG 3.46Å; C29-C50 WeakPolarHBondContact SG-CB 3.03Å; C29-C50 CovalentContact SG-SG 2.02Å; C29-C50 PolarHBondContact SG-SG 3.09Å; N47-C50 PolarHBondContact O-N 3.05Å; C50-S52 PolarHBondContact O-N 3.25Å
51	R	50	Low	49.8	Very low	188 Å²	188	76.3 Å²	76.3	71%	0.709	43%	0.428	S	S	*	.			trans	-66.3	111.9	171.3	-95.5	-171.2	163.6	-149.7	0.6	109.3	G49 D53	G49-R51 PolarHBondContact O-N 3.12Å; G49-R51 VanDerWaalsContact O-N 3.09Å; R51-D53 PolarHBondContact O-N 3.4Å
52	S	51.9	Low	49.8	Very low	44 Å²	44	75.9 Å²	75.9	31%	0.308	43%	0.427	S	S	.	.			trans	-77	74	169	-64.9	0	0	0	0	109.7	C50 A54	C50-S52 PolarHBondContact O-N 3.25Å; S52-A54 VanDerWaalsContact C-N 3.3Å
53	D	47.5	Very low	49.7	Very low	122 Å²	122	79.8 Å²	79.8	65%	0.652	45%	0.449	S	S	*	.			trans	-83.9	-12.2	171.5	-125.9	-88.5	0	0	0	111.6	R51	R51-D53 PolarHBondContact O-N 3.4Å
54	A	48.5	Very low	49.6	Very low	8 Å²	8	81.7 Å²	81.7	7%	0.066	46%	0.459	C	S	.	.			trans	-85.3	120.2	176.4	0	0	0	0	0	111.3	Q26 S52 N56 V57	Q26-A54 HydrophobicContact CB-CB 3.98Å; Q26-A54 VanDerWaalsContact OE1-CB 3.26Å; S52-A54 VanDerWaalsContact C-N 3.3Å; A54-N56 PolarHBondContact O-N 3.45Å; A54-V57 HydrophobicContact CB-CB 4.12Å; A54-V57 HydrophobicContact CB-CG1 3.41Å; A54-V57 VanDerWaalsContact CB-CG1 3.41Å; A54-V57 HydrophobicContact CB-CG2 3.8Å; A54-V57 WeakPolarHBondContact O-CG2 3.14Å; A54-V57 PolarHBondContact O-N 2.96Å
55	K	45	Very low	49.1	Very low	212 Å²	212	86.4 Å²	86.4	92%	0.922	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-6.9	174.4	-65.7	-179.4	-179	-179.6	0	114.5
56	N	46.9	Very low	48.9	Very low	139 Å²	139	90.1 Å²	90.1	74%	0.743	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	10.1	-174.8	-85.3	-50.6	0	0	0	113.9	W23 A54	W23-N56 PolarHBondContact NE1-O 2.8Å; A54-N56 PolarHBondContact O-N 3.45Å
57	V	47.8	Very low	48.7	Very low	17 Å²	17	94.9 Å²	94.9	10%	0.103	53%	0.53	C	S	.	.	S	Bend	trans	-98.1	139.9	173.9	-59.5	0	0	0	0	108.8	W23 T27 A54 H59	W23-V57 HydrophobicContact CD2-CG1 4.18Å; W23-V57 HydrophobicContact CH2-CG1 4.27Å; W23-V57 HydrophobicContact CZ2-CB 4.24Å; W23-V57 HydrophobicContact CZ2-CG1 3.73Å; T27-V57 HydrophobicContact CG2-CB 3.76Å; T27-V57 HydrophobicContact CG2-CG1 3.19Å; T27-V57 HydrophobicContact CG2-CG2 4.09Å; A54-V57 HydrophobicContact CB-CB 4.12Å; A54-V57 HydrophobicContact CB-CG1 3.41Å; A54-V57 VanDerWaalsContact CB-CG1 3.41Å; A54-V57 HydrophobicContact CB-CG2 3.8Å; A54-V57 WeakPolarHBondContact O-CG2 3.14Å; A54-V57 PolarHBondContact O-N 2.96Å; V57-H59 PolarHBondContact O-N 3.4Å
58	P	47.2	Very low	48.4	Very low	38 Å²	38	95.2 Å²	95.2	25%	0.247	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-57.5	121.2	174.7	28.3	-37	0	0	0	108	H6 V8 I44 C60	H6-P58 HydrophobicContact CB-CB 4.17Å; H6-P58 HydrophobicContact CB-CG 4.05Å; V8-P58 HydrophobicContact CG2-CG 3.65Å; I44-P58 HydrophobicContact CD1-CG 3.35Å; P58-C60 PolarHBondContact O-N 2.77Å; P58-C60 VanDerWaalsContact O-N 3.14Å
59	H	45.1	Very low	48	Very low	150 Å²	150	93.1 Å²	93.1	69%	0.694	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-61.3	118.7	174.9	-147.9	-118.8	0	0	0	107.2	V57 P61	V57-H59 PolarHBondContact O-N 3.4Å; H59-P61 WeakPolarHBondContact O-CD 3.46Å
60	C	42.2	Very low	47.8	Very low	31 Å²	31	95.3 Å²	95.3	21%	0.209	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-76.2	120.7	172.5	-78.8	0	0	0	0	108.3	H6 C46 P58	H6-C60 VanDerWaalsContact CD2-SG 3.53Å; C46-C60 HydrophobicContact CB-CB 3.35Å; C46-C60 WeakPolarHBondContact CB-SG 2.79Å; C46-C60 WeakPolarHBondContact SG-CB 3.33Å; C46-C60 CovalentContact SG-SG 1.97Å; C46-C60 PolarHBondContact SG-SG 3.29Å; P58-C60 PolarHBondContact O-N 2.77Å; P58-C60 VanDerWaalsContact O-N 3.14Å
61	P	47.6	Very low	47.2	Very low	170 Å²	170	101.7 Å²	101.7	100%	1.104	52%	0.523	S	S	*	.			trans	-66.4	0	-176.6	28.8	-34.9	0	0	0	112.3	H59	H59-P61 WeakPolarHBondContact O-CD 3.46Å

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