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Reactive oxygen species modulator 1

Has antibacterial activity against a variety of bacteria including S.aureus, P.aeruginosa and M.tuberculosis. Acts by inducing bacterial membrane breakage. Induces production of reactive oxygen species (ROS) which are necessary for cell proliferation. May play a role in inducing oxidative DNA damage and replicative senescence. May play a role in the coordination of mitochondrial morphology and cell proliferation.

AlphaFold DB , UniProt , Accession A0A077Z676, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 82 aa.

						>A0A077Z676_TRITR|A0A077Z676
MPGVPAGYGPRGIQGPSCFDQIKVGFVMGASVGATVGVIFGGFSALSMGLRGRELLRQLGKIMFTSSGSFGLFMAVGSALRC
					

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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	55.5	Low	53.4	Low	232 Å²	232	139.7 Å²	139.7	100%	1.143	84%	0.844	S	S	*	*				0	109.5	0	32.2	-172.7	171.1	0	0	107.8	G3	M1-G3 PolarHBondContact O-N 3.41Å
2	P	60.8	Low	52.3	Low	128 Å²	128	133.9 Å²	133.9	83%	0.831	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-65.7	128.9	-175.6	23.7	-24.7	0	0	0	109.5	V4	P2-V4 PolarHBondContact O-N 3.37Å
3	G	59.2	Low	51.7	Low	78 Å²	78	136.4 Å²	136.4	80%	0.804	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-61.7	119.8	-173.8	0	0	0	0	0	112	M1	M1-G3 PolarHBondContact O-N 3.41Å
4	V	63.8	Low	51.2	Low	124 Å²	124	139.9 Å²	139.9	75%	0.752	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-73.3	130.7	172.8	-15.6	0	0	0	0	107.7	P2 A6	P2-V4 PolarHBondContact O-N 3.37Å; V4-A6 PolarHBondContact O-N 3.38Å; V4-A6 VanDerWaalsContact O-N 3.12Å
5	P	57.3	Low	51.3	Low	125 Å²	125	134.7 Å²	134.7	81%	0.812	83%	0.825	S	S	*	*			trans	-63.4	115.8	169.4	15.8	-17.9	0	0	0	109.3	G7	P5-G7 PolarHBondContact O-N 2.93Å
6	A	53.6	Low	51.6	Low	108 Å²	108	131.9 Å²	131.9	89%	0.893	81%	0.81	S	S	*	*	S	Bend	trans	-71.1	81.2	-173.3	0	0	0	0	0	112.7	V4	V4-A6 PolarHBondContact O-N 3.38Å; V4-A6 VanDerWaalsContact O-N 3.12Å
7	G	51.6	Low	52.4	Low	70 Å²	70	129.2 Å²	129.2	72%	0.722	80%	0.797	S	S	*	*			trans	-146.6	-4.8	176.9	0	0	0	0	0	117	P5	P5-G7 PolarHBondContact O-N 2.93Å
8	Y	47.8	Very low	53.7	Low	235 Å²	235	125.8 Å²	125.8	92%	0.922	78%	0.779	S	S	*	*			trans	-122	83.8	-178.1	-119.8	-95.9	0	0	0	109.5
9	G	45.2	Very low	55.1	Low	59 Å²	59	127.2 Å²	127.2	61%	0.608	77%	0.773	S	S	*	*			trans	-135	134.5	178.5	0	0	0	0	0	111.2	R11	G9-R11 PolarHBondContact O-N 3.1Å; G9-R11 VanDerWaalsContact O-N 3.11Å
10	P	43.6	Very low	56.4	Low	138 Å²	138	124 Å²	124	90%	0.896	75%	0.751	S	S	*	*			trans	-82.3	87.9	-173.7	33.3	-32.5	0	0	0	110.5
11	R	48.8	Very low	57.3	Low	240 Å²	240	121 Å²	121	91%	0.906	73%	0.729	S	S	*	*			trans	-147.7	107.9	171.8	-70.3	-173.1	169.1	134.2	-3.4	106.4	G9	G9-R11 PolarHBondContact O-N 3.1Å; G9-R11 VanDerWaalsContact O-N 3.11Å
12	G	40.4	Very low	58.7	Low	70 Å²	70	112.3 Å²	112.3	72%	0.722	69%	0.687	S	S	*	*				82.1	109	77.4	0	0	0	0	0	108
13	I	44.1	Very low	59.7	Low	166 Å²	166	111 Å²	111	85%	0.851	67%	0.668	S	S	*	*	S	Bend	trans	84.7	104.1	176.8	-48.1	-174.6	0	0	0	114.3
14	Q	45.8	Very low	60.9	Low	185 Å²	185	110.5 Å²	110.5	86%	0.864	65%	0.649	S	S	*	*	S	Bend	trans	71	104	168.6	-123.8	149.9	47.8	0	0	115.2
15	G	51.5	Low	62	Low	63 Å²	63	105 Å²	105	65%	0.649	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-52.6	139	175.2	0	0	0	0	0	110.8	S17	G15-S17 PolarHBondContact O-N 3.3Å; G15-S17 VanDerWaalsContact O-N 3.14Å
16	P	56.6	Low	63.4	Low	90 Å²	90	103.6 Å²	103.6	58%	0.584	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-53.4	124.7	178.1	20.1	-29.7	0	0	0	108.6	D20	P16-D20 HydrophobicContact CB-CB 3.95Å
17	S	65.3	Low	65	Low	85 Å²	85	102.8 Å²	102.8	59%	0.594	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-47.4	152.9	179.7	-66.3	0	0	0	0	110.9	G15 F19 D20 Q21	G15-S17 PolarHBondContact O-N 3.3Å; G15-S17 VanDerWaalsContact O-N 3.14Å; S17-F19 CarbonylContact O-C 3.58Å; S17-F19 PolarHBondContact O-N 3.16Å; S17-D20 WeakPolarHBondContact O-CA 3.2Å; S17-D20 WeakPolarHBondContact O-CB 3.4Å; S17-D20 PolarHBondContact O-N 3.47Å; S17-Q21 PolarHBondContact O-N 2.9Å
18	C	76.2	Confident	66.7	Low	69 Å²	69	104.6 Å²	104.6	47%	0.466	57%	0.573	S	S	.	*	H	α-helix	trans	-48.5	-38.8	178.9	-48.7	0	0	0	0	111.5	D20 Q21 I22 C82	C18-D20 PolarHBondContact O-N 3.03Å; C18-Q21 PolarHBondContact O-N 3.32Å; C18-I22 WeakPolarHBondContact O-CB 2.99Å; C18-I22 WeakPolarHBondContact O-CD1 3.47Å; C18-I22 WeakPolarHBondContact O-CG1 3Å; C18-I22 PolarHBondContact O-N 2.96Å; C18-C82 WeakPolarHBondContact CA-SG 3.37Å; C18-C82 HydrophobicContact CB-CB 3.45Å; C18-C82 VanDerWaalsContact CB-CB 3.45Å; C18-C82 WeakPolarHBondContact SG-CB 3.44Å
19	F	80.6	Confident	68.5	Low	151 Å²	151	93.5 Å²	93.5	66%	0.662	53%	0.53	S	S	*	.	H	α-helix	trans	-63.3	-36.9	176.3	-165.3	-99.3	0	0	0	114.8	S17 I22 K23	S17-F19 CarbonylContact O-C 3.58Å; S17-F19 PolarHBondContact O-N 3.16Å; F19-I22 PolarHBondContact O-N 2.73Å; F19-K23 VanDerWaalsContact O-CB 3.28Å; F19-K23 WeakPolarHBondContact O-CB 3.47Å; F19-K23 PolarHBondContact O-N 3.39Å
20	D	81.5	Confident	70.5	Confident	63 Å²	63	91.7 Å²	91.7	34%	0.337	51%	0.51	S	S	.	.	H	α-helix	trans	-69.9	-41.6	177.8	-142.6	-20	0	0	0	110.7	P16 S17 C18 I22 K23 V24	P16-D20 HydrophobicContact CB-CB 3.95Å; S17-D20 WeakPolarHBondContact O-CA 3.2Å; S17-D20 WeakPolarHBondContact O-CB 3.4Å; S17-D20 PolarHBondContact O-N 3.47Å; C18-D20 PolarHBondContact O-N 3.03Å; D20-I22 PolarHBondContact O-N 3.31Å; D20-K23 PolarHBondContact O-N 3.38Å; D20-K23 WeakPolarHBondContact OD1-CE 3.16Å; D20-K23 IonicContact OD1-NZ 3.74Å; D20-K23 PolarHBondContact OD1-NZ 3.37Å; D20-K23 IonicContact OD2-NZ 2.72Å; D20-V24 VanDerWaalsContact O-CG2 3.29Å; D20-V24 WeakPolarHBondContact O-CG2 3.3Å; D20-V24 PolarHBondContact O-N 2.79Å
21	Q	75.4	Confident	72.6	Confident	61 Å²	61	88.1 Å²	88.1	29%	0.285	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-41.1	174.6	-158	-178.2	-41.8	0	0	111.7	S17 C18 V24 G25 S78 C82	S17-Q21 PolarHBondContact O-N 2.9Å; C18-Q21 PolarHBondContact O-N 3.32Å; Q21-V24 PolarHBondContact O-N 2.84Å; Q21-G25 PolarHBondContact O-N 3.38Å; Q21-S78 WeakPolarHBondContact O-CB 3.2Å; Q21-C82 VanDerWaalsContact CB-SG 3.55Å; Q21-C82 VanDerWaalsContact CD-SG 3.57Å; Q21-C82 PolarHBondContact OE1-SG 3.32Å; Q21-C82 VanDerWaalsContact OE1-SG 3.32Å
22	I	83	Confident	74.5	Confident	51 Å²	51	80.6 Å²	80.6	26%	0.262	47%	0.469	S	S	.	.	H	α-helix	trans	-59.5	-46.4	173.4	-69.7	165	0	0	0	110.9	C18 F19 D20 G25 F26 A75 A79	C18-I22 WeakPolarHBondContact O-CB 2.99Å; C18-I22 WeakPolarHBondContact O-CD1 3.47Å; C18-I22 WeakPolarHBondContact O-CG1 3Å; C18-I22 PolarHBondContact O-N 2.96Å; F19-I22 PolarHBondContact O-N 2.73Å; D20-I22 PolarHBondContact O-N 3.31Å; I22-G25 PolarHBondContact O-N 3.06Å; I22-F26 WeakPolarHBondContact O-CB 3.3Å; I22-F26 PolarHBondContact O-N 2.87Å; I22-A75 HydrophobicContact CG2-CB 4.07Å; I22-A79 HydrophobicContact CD1-CB 3.64Å; I22-A79 HydrophobicContact CG1-CB 3.7Å
23	K	83.3	Confident	76.7	Confident	100 Å²	100	77.3 Å²	77.3	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-63	-46.4	179.5	-177.3	-177.1	71	-141.6	0	111.4	F19 D20 F26 V27	F19-K23 VanDerWaalsContact O-CB 3.28Å; F19-K23 WeakPolarHBondContact O-CB 3.47Å; F19-K23 PolarHBondContact O-N 3.39Å; D20-K23 PolarHBondContact O-N 3.38Å; D20-K23 WeakPolarHBondContact OD1-CE 3.16Å; D20-K23 IonicContact OD1-NZ 3.74Å; D20-K23 PolarHBondContact OD1-NZ 3.37Å; D20-K23 IonicContact OD2-NZ 2.72Å; K23-F26 PolarHBondContact O-N 2.78Å; K23-V27 WeakPolarHBondContact O-CB 3.4Å; K23-V27 VanDerWaalsContact O-CG2 3.27Å; K23-V27 WeakPolarHBondContact O-CG2 3.37Å; K23-V27 PolarHBondContact O-N 2.98Å
24	V	84.3	Confident	78.7	Confident	67 Å²	67	70.7 Å²	70.7	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-44.3	176.3	174.5	0	0	0	0	110.5	D20 Q21 V27 M28	D20-V24 VanDerWaalsContact O-CG2 3.29Å; D20-V24 WeakPolarHBondContact O-CG2 3.3Å; D20-V24 PolarHBondContact O-N 2.79Å; Q21-V24 PolarHBondContact O-N 2.84Å; V24-V27 PolarHBondContact O-N 3.12Å; V24-M28 HydrophobicContact CG1-CE 3.92Å; V24-M28 HydrophobicContact CG1-CG 4.38Å; V24-M28 HydrophobicContact CG1-SD 4.2Å; V24-M28 WeakPolarHBondContact O-CB 3.11Å; V24-M28 WeakPolarHBondContact O-CG 3.19Å; V24-M28 PolarHBondContact O-N 2.76Å
25	G	85.9	Confident	80.6	Confident	9 Å²	9	65.8 Å²	65.8	9%	0.093	39%	0.388	C	S	.	.	H	α-helix	trans	-61.8	-42.5	176.4	0	0	0	0	0	112.9	Q21 I22 G29 M74	Q21-G25 PolarHBondContact O-N 3.38Å; I22-G25 PolarHBondContact O-N 3.06Å; G25-G29 PolarHBondContact O-N 3.31Å; G25-M74 VanDerWaalsContact O-CB 3.3Å; G25-M74 WeakPolarHBondContact O-CB 3.31Å
26	F	87.3	Confident	82.3	Confident	96 Å²	96	65.6 Å²	65.6	42%	0.421	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-47.1	175.1	-176.4	-97.9	0	0	0	111.7	I22 K23 G29 A30 A75	I22-F26 WeakPolarHBondContact O-CB 3.3Å; I22-F26 PolarHBondContact O-N 2.87Å; K23-F26 PolarHBondContact O-N 2.78Å; F26-G29 PolarHBondContact O-N 3.28Å; F26-A30 WeakPolarHBondContact O-CB 3.42Å; F26-A30 PolarHBondContact O-N 3.08Å; F26-A75 HydrophobicContact CB-CB 4.1Å; F26-A75 HydrophobicContact CD2-CB 4.36Å
27	V	88	Confident	83.6	Confident	90 Å²	90	61.5 Å²	61.5	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-42.8	-179.6	170.9	0	0	0	0	111.3	K23 V24 A30 S31	K23-V27 WeakPolarHBondContact O-CB 3.4Å; K23-V27 VanDerWaalsContact O-CG2 3.27Å; K23-V27 WeakPolarHBondContact O-CG2 3.37Å; K23-V27 PolarHBondContact O-N 2.98Å; V24-V27 PolarHBondContact O-N 3.12Å; V27-A30 PolarHBondContact O-N 2.79Å; V27-S31 WeakPolarHBondContact O-CB 3.47Å; V27-S31 PolarHBondContact O-N 3.46Å; V27-S31 PolarHBondContact O-OG 2.84Å
28	M	86.6	Confident	84.4	Confident	108 Å²	108	60.9 Å²	60.9	53%	0.532	34%	0.341	S	S	.	.	H	α-helix	trans	-66.4	-43.5	175	-72.6	-168.9	177.4	0	0	111.8	V24 A30 S31 V32	V24-M28 HydrophobicContact CG1-CE 3.92Å; V24-M28 HydrophobicContact CG1-CG 4.38Å; V24-M28 HydrophobicContact CG1-SD 4.2Å; V24-M28 WeakPolarHBondContact O-CB 3.11Å; V24-M28 WeakPolarHBondContact O-CG 3.19Å; V24-M28 PolarHBondContact O-N 2.76Å; M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 3.45Å; M28-S31 PolarHBondContact O-N 2.88Å; M28-S31 PolarHBondContact O-OG 3.4Å; M28-V32 WeakPolarHBondContact O-CB 3.3Å; M28-V32 VanDerWaalsContact O-CG2 3.24Å; M28-V32 WeakPolarHBondContact O-CG2 3.46Å; M28-V32 PolarHBondContact O-N 3.31Å
29	G	86.2	Confident	84.7	Confident	2 Å²	2	62.6 Å²	62.6	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-38.2	176.3	0	0	0	0	0	112.4	G25 F26 G33	G25-G29 PolarHBondContact O-N 3.31Å; F26-G29 PolarHBondContact O-N 3.28Å; G29-G33 PolarHBondContact O-N 3.22Å
30	A	87	Confident	84.6	Confident	22 Å²	22	62.7 Å²	62.7	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-68.4	-40.6	176	0	0	0	0	0	111.8	F26 V27 M28 A34	F26-A30 WeakPolarHBondContact O-CB 3.42Å; F26-A30 PolarHBondContact O-N 3.08Å; V27-A30 PolarHBondContact O-N 2.79Å; M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 3.45Å; A30-A34 WeakPolarHBondContact O-CB 3.44Å; A30-A34 PolarHBondContact O-N 3.38Å
31	S	86.8	Confident	84.3	Confident	62 Å²	62	60 Å²	60	43%	0.434	33%	0.332	S	S	.	.	H	α-helix	trans	-69.9	-39.5	178	68.7	0	0	0	0	112.3	V27 M28 T35	V27-S31 WeakPolarHBondContact O-CB 3.47Å; V27-S31 PolarHBondContact O-N 3.46Å; V27-S31 PolarHBondContact O-OG 2.84Å; M28-S31 PolarHBondContact O-N 2.88Å; M28-S31 PolarHBondContact O-OG 3.4Å; S31-T35 WeakPolarHBondContact O-CB 3.13Å; S31-T35 PolarHBondContact O-N 2.67Å; S31-T35 PolarHBondContact O-OG1 2.84Å
32	V	88	Confident	84.3	Confident	82 Å²	82	57.4 Å²	57.4	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-47.4	173.5	174.3	0	0	0	0	110.2	M28 A34 T35 V36	M28-V32 WeakPolarHBondContact O-CB 3.3Å; M28-V32 VanDerWaalsContact O-CG2 3.24Å; M28-V32 WeakPolarHBondContact O-CG2 3.46Å; M28-V32 PolarHBondContact O-N 3.31Å; V32-A34 VanDerWaalsContact C-N 3.29Å; V32-A34 PolarHBondContact O-N 3.5Å; V32-T35 PolarHBondContact O-N 3.12Å; V32-T35 VanDerWaalsContact O-N 3.12Å; V32-V36 HydrophobicContact CG1-CG2 4.24Å; V32-V36 WeakPolarHBondContact O-CB 3.46Å; V32-V36 VanDerWaalsContact O-CG2 3.3Å; V32-V36 WeakPolarHBondContact O-CG2 3.21Å; V32-V36 PolarHBondContact O-N 3.5Å
33	G	87.4	Confident	84	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-37.2	177	0	0	0	0	0	112.7	G29 G37	G29-G33 PolarHBondContact O-N 3.22Å; G33-G37 WeakPolarHBondContact O-CA 3.38Å; G33-G37 PolarHBondContact O-N 2.93Å
34	A	86.1	Confident	83.2	Confident	28 Å²	28	60 Å²	60	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-49.3	170.5	0	0	0	0	0	111	A30 V32 V36 G37 V38 M63	A30-A34 WeakPolarHBondContact O-CB 3.44Å; A30-A34 PolarHBondContact O-N 3.38Å; V32-A34 VanDerWaalsContact C-N 3.29Å; V32-A34 PolarHBondContact O-N 3.5Å; A34-V36 PolarHBondContact O-N 2.76Å; A34-G37 CarbonylContact O-C 3.59Å; A34-G37 PolarHBondContact O-N 3.25Å; A34-V38 WeakPolarHBondContact O-CG2 2.89Å; A34-V38 PolarHBondContact O-N 2.81Å; A34-M63 VanDerWaalsContact CA-CE 3.49Å; A34-M63 HydrophobicContact CB-CE 3.55Å; A34-M63 HydrophobicContact CB-SD 4.34Å; A34-M63 WeakPolarHBondContact O-CE 3.38Å
35	T	86.2	Confident	82.5	Confident	81 Å²	81	57 Å²	57	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-46.5	-179.2	-53.8	0	0	0	0	111.6	S31 V32 G37 V38 I39	S31-T35 WeakPolarHBondContact O-CB 3.13Å; S31-T35 PolarHBondContact O-N 2.67Å; S31-T35 PolarHBondContact O-OG1 2.84Å; V32-T35 PolarHBondContact O-N 3.12Å; V32-T35 VanDerWaalsContact O-N 3.12Å; T35-G37 VanDerWaalsContact C-N 3.34Å; T35-G37 PolarHBondContact O-N 2.83Å; T35-V38 PolarHBondContact O-N 3.2Å; T35-I39 HydrophobicContact CG2-CD1 3.96Å; T35-I39 VanDerWaalsContact O-CG1 3.3Å; T35-I39 WeakPolarHBondContact O-CG1 3.5Å; T35-I39 PolarHBondContact O-N 2.81Å
36	V	86	Confident	81.8	Confident	60 Å²	60	62.7 Å²	62.7	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-41.6	176.1	176.2	0	0	0	0	110.6	V32 A34 V38 I39 F40	V32-V36 HydrophobicContact CG1-CG2 4.24Å; V32-V36 WeakPolarHBondContact O-CB 3.46Å; V32-V36 VanDerWaalsContact O-CG2 3.3Å; V32-V36 WeakPolarHBondContact O-CG2 3.21Å; V32-V36 PolarHBondContact O-N 3.5Å; A34-V36 PolarHBondContact O-N 2.76Å; V36-V38 PolarHBondContact O-N 2.94Å; V36-I39 PolarHBondContact O-N 2.8Å; V36-F40 HydrophobicContact CG1-CD2 3.8Å; V36-F40 HydrophobicContact CG1-CE2 4.27Å; V36-F40 WeakPolarHBondContact O-CB 3.46Å; V36-F40 PolarHBondContact O-N 2.7Å
37	G	83.8	Confident	80.9	Confident	3 Å²	3	62.2 Å²	62.2	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-36.2	176	0	0	0	0	0	113.6	G33 A34 T35 G41 M63	G33-G37 WeakPolarHBondContact O-CA 3.38Å; G33-G37 PolarHBondContact O-N 2.93Å; A34-G37 CarbonylContact O-C 3.59Å; A34-G37 PolarHBondContact O-N 3.25Å; T35-G37 VanDerWaalsContact C-N 3.34Å; T35-G37 PolarHBondContact O-N 2.83Å; G37-G41 WeakPolarHBondContact O-CA 3.2Å; G37-G41 PolarHBondContact O-N 3.11Å; G37-M63 VanDerWaalsContact CA-SD 3.55Å
38	V	82.3	Confident	79.7	Confident	73 Å²	73	64.7 Å²	64.7	44%	0.442	36%	0.363	S	S	.	.	H	α-helix	trans	-70.7	-43	174	176.5	0	0	0	0	110	A34 T35 V36 G42 M63	A34-V38 WeakPolarHBondContact O-CG2 2.89Å; A34-V38 PolarHBondContact O-N 2.81Å; T35-V38 PolarHBondContact O-N 3.2Å; V36-V38 PolarHBondContact O-N 2.94Å; V38-G42 WeakPolarHBondContact O-CA 3.09Å; V38-G42 PolarHBondContact O-N 2.86Å; V38-M63 HydrophobicContact CB-CE 4.43Å; V38-M63 HydrophobicContact CB-SD 4.29Å; V38-M63 HydrophobicContact CG2-CE 3.16Å; V38-M63 HydrophobicContact CG2-SD 3.51Å; V38-M63 VanDerWaalsContact CG2-SD 3.51Å; V38-M63 PolarHBondContact N-SD 3.24Å
39	I	83.6	Confident	78.6	Confident	104 Å²	104	62 Å²	62	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-68.7	-55.4	-177.8	-65.6	168.2	0	0	0	109.7	T35 V36 F43	T35-I39 HydrophobicContact CG2-CD1 3.96Å; T35-I39 VanDerWaalsContact O-CG1 3.3Å; T35-I39 WeakPolarHBondContact O-CG1 3.5Å; T35-I39 PolarHBondContact O-N 2.81Å; V36-I39 PolarHBondContact O-N 2.8Å; I39-F43 WeakPolarHBondContact O-CB 3.47Å; I39-F43 PolarHBondContact O-N 3.16Å
40	F	78.2	Confident	77.4	Confident	153 Å²	153	64.3 Å²	64.3	67%	0.671	38%	0.376	S	S	*	.	H	α-helix	trans	-70.1	-47.3	-178.8	-85.6	-95	0	0	0	112.1	V36 S44	V36-F40 HydrophobicContact CG1-CD2 3.8Å; V36-F40 HydrophobicContact CG1-CE2 4.27Å; V36-F40 WeakPolarHBondContact O-CB 3.46Å; V36-F40 PolarHBondContact O-N 2.7Å; F40-S44 WeakPolarHBondContact O-CB 3.43Å; F40-S44 PolarHBondContact O-N 3.22Å; F40-S44 PolarHBondContact O-OG 3.27Å
41	G	75.4	Confident	76.1	Confident	7 Å²	7	74.6 Å²	74.6	7%	0.072	41%	0.409	C	S	.	.	H	α-helix	trans	-67.7	-47	178.5	0	0	0	0	0	111.2	G37 S44 A45 L59	G37-G41 WeakPolarHBondContact O-CA 3.2Å; G37-G41 PolarHBondContact O-N 3.11Å; G41-S44 PolarHBondContact O-N 2.87Å; G41-A45 WeakPolarHBondContact O-CB 3.21Å; G41-A45 PolarHBondContact O-N 2.87Å; G41-L59 VanDerWaalsContact O-CD2 3.3Å; G41-L59 WeakPolarHBondContact O-CD2 3.22Å
42	G	75.5	Confident	75.2	Confident	6 Å²	6	74 Å²	74	6%	0.062	41%	0.413	C	S	.	.	H	α-helix	trans	-67.2	-42.6	-177.8	0	0	0	0	0	112.1	V38 A45 L46	V38-G42 WeakPolarHBondContact O-CA 3.09Å; V38-G42 PolarHBondContact O-N 2.86Å; G42-A45 PolarHBondContact O-N 2.91Å; G42-L46 WeakPolarHBondContact O-CB 3.39Å; G42-L46 WeakPolarHBondContact O-CD1 3.43Å; G42-L46 WeakPolarHBondContact O-CG 3.24Å; G42-L46 PolarHBondContact O-N 3.42Å
43	F	75.6	Confident	74.2	Confident	151 Å²	151	79.5 Å²	79.5	66%	0.662	43%	0.425	S	S	*	.	H	α-helix	trans	-65.8	-40.3	174.7	-166.1	-94.2	0	0	0	111.9	I39 S47	I39-F43 WeakPolarHBondContact O-CB 3.47Å; I39-F43 PolarHBondContact O-N 3.16Å; F43-S47 WeakPolarHBondContact O-CB 3.12Å; F43-S47 PolarHBondContact O-N 3.38Å; F43-S47 PolarHBondContact O-OG 3.49Å
44	S	68	Low	73.5	Confident	56 Å²	56	84.4 Å²	84.4	39%	0.392	45%	0.448	S	S	.	.	H	α-helix	trans	-63.3	-42.4	175.1	-60.6	0	0	0	0	111.6	F40 G41 S47 M48	F40-S44 WeakPolarHBondContact O-CB 3.43Å; F40-S44 PolarHBondContact O-N 3.22Å; F40-S44 PolarHBondContact O-OG 3.27Å; G41-S44 PolarHBondContact O-N 2.87Å; S44-S47 PolarHBondContact O-N 2.91Å; S44-M48 WeakPolarHBondContact O-CB 3.36Å; S44-M48 VanDerWaalsContact O-CG 3.31Å; S44-M48 WeakPolarHBondContact O-CG 3.4Å; S44-M48 PolarHBondContact O-N 2.77Å
45	A	68.8	Low	72.9	Confident	4 Å²	4	84.3 Å²	84.3	3%	0.033	44%	0.443	C	S	.	.	H	α-helix	trans	-85	-26.1	-173.9	0	0	0	0	0	113.4	G41 G42 G49 L50 L55 L59	G41-A45 WeakPolarHBondContact O-CB 3.21Å; G41-A45 PolarHBondContact O-N 2.87Å; G42-A45 PolarHBondContact O-N 2.91Å; A45-G49 PolarHBondContact O-N 2.82Å; A45-L50 PolarHBondContact O-N 2.72Å; A45-L50 VanDerWaalsContact O-N 3.1Å; A45-L55 HydrophobicContact CB-CD1 3.02Å; A45-L59 HydrophobicContact CB-CD2 4.29Å
46	L	70.1	Confident	72.4	Confident	128 Å²	128	86.2 Å²	86.2	67%	0.67	45%	0.45	S	S	*	.	H	α-helix	trans	-64.9	-43.1	161.9	-87.2	154	0	0	0	110.8	G42 M48 G49	G42-L46 WeakPolarHBondContact O-CB 3.39Å; G42-L46 WeakPolarHBondContact O-CD1 3.43Å; G42-L46 WeakPolarHBondContact O-CG 3.24Å; G42-L46 PolarHBondContact O-N 3.42Å; L46-M48 VanDerWaalsContact C-N 3.32Å; L46-M48 PolarHBondContact O-N 3.11Å; L46-G49 PolarHBondContact O-N 3.37Å; L46-G49 VanDerWaalsContact O-N 3.16Å
47	S	68.8	Low	72.2	Confident	85 Å²	85	91.1 Å²	91.1	59%	0.594	46%	0.461	S	S	*	.	H	α-helix	trans	-67.3	-31.9	177.2	-63.3	0	0	0	0	112.7	F43 S44 G49	F43-S47 WeakPolarHBondContact O-CB 3.12Å; F43-S47 PolarHBondContact O-N 3.38Å; F43-S47 PolarHBondContact O-OG 3.49Å; S44-S47 PolarHBondContact O-N 2.91Å; S47-G49 PolarHBondContact O-N 3.48Å
48	M	63.6	Low	72	Confident	142 Å²	142	95 Å²	95	70%	0.7	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	3.1	174.9	-74.7	162.9	-179.3	0	0	113.5	S44 L46 L50	S44-M48 WeakPolarHBondContact O-CB 3.36Å; S44-M48 VanDerWaalsContact O-CG 3.31Å; S44-M48 WeakPolarHBondContact O-CG 3.4Å; S44-M48 PolarHBondContact O-N 2.77Å; L46-M48 VanDerWaalsContact C-N 3.32Å; L46-M48 PolarHBondContact O-N 3.11Å; M48-L50 HydrophobicContact CB-CD1 3.39Å; M48-L50 PolarHBondContact O-N 2.99Å
49	G	63.8	Low	71.9	Confident	53 Å²	53	92.4 Å²	92.4	55%	0.546	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	15.9	174.9	0	0	0	0	0	114.4	A45 L46 S47 R51	A45-G49 PolarHBondContact O-N 2.82Å; L46-G49 PolarHBondContact O-N 3.37Å; L46-G49 VanDerWaalsContact O-N 3.16Å; S47-G49 PolarHBondContact O-N 3.48Å; G49-R51 PolarHBondContact O-N 2.82Å
50	L	59.9	Low	71.9	Confident	50 Å²	50	89.3 Å²	89.3	26%	0.262	46%	0.456	S	S	.	.			trans	-70.4	104.8	175.3	-73.4	94.2	0	0	0	108.9	A45 M48 E54 L55	A45-L50 PolarHBondContact O-N 2.72Å; A45-L50 VanDerWaalsContact O-N 3.1Å; M48-L50 HydrophobicContact CB-CD1 3.39Å; M48-L50 PolarHBondContact O-N 2.99Å; L50-E54 HydrophobicContact CD2-CG 4.28Å; L50-L55 HydrophobicContact CB-CB 4.23Å; L50-L55 HydrophobicContact CB-CD1 4.44Å
51	R	60.3	Low	72.2	Confident	237 Å²	237	89.9 Å²	89.9	89%	0.894	46%	0.458	S	S	*	.			trans	-89.7	125.8	177.2	-79.7	178.6	157.9	168.6	-5.3	111	G49	G49-R51 PolarHBondContact O-N 2.82Å
52	G	66.8	Low	72.6	Confident	49 Å²	49	92.4 Å²	92.4	51%	0.505	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-124.7	160	0	0	0	0	0	116	L55 L56	G52-L55 WeakPolarHBondContact O-CB 3.49Å; G52-L56 PolarHBondContact O-N 2.83Å
53	R	68.3	Low	73	Confident	198 Å²	198	93.9 Å²	93.9	75%	0.747	48%	0.475	S	S	*	.	H	α-helix	trans	-77.1	-27.2	-164.9	-155.2	176.9	-77.3	-177.2	-5.1	113	L56 R57	R53-L56 PolarHBondContact O-N 2.94Å; R53-R57 WeakPolarHBondContact O-CG 3.18Å; R53-R57 PolarHBondContact O-N 3.3Å; R53-R57 VanDerWaalsContact O-N 3.08Å
54	E	73.5	Confident	73.5	Confident	105 Å²	105	94.5 Å²	94.5	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-72.5	-39.2	176.5	-163.6	57.4	-149.2	0	0	111.6	L50 L56 R57 Q58	L50-E54 HydrophobicContact CD2-CG 4.28Å; E54-L56 PolarHBondContact O-N 3.38Å; E54-R57 PolarHBondContact O-N 2.87Å; E54-R57 IonicContact OE2-NH1 3.79Å; E54-Q58 WeakPolarHBondContact O-CB 3.12Å; E54-Q58 PolarHBondContact O-N 3.3Å
55	L	72.7	Confident	74.4	Confident	26 Å²	26	96 Å²	96	14%	0.136	49%	0.485	C	S	.	.	H	α-helix	trans	-52.1	-55.1	168.6	174.9	69.5	0	0	0	110	A45 L50 G52 R57 Q58 L59	A45-L55 HydrophobicContact CB-CD1 3.02Å; L50-L55 HydrophobicContact CB-CB 4.23Å; L50-L55 HydrophobicContact CB-CD1 4.44Å; G52-L55 WeakPolarHBondContact O-CB 3.49Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 3.4Å; L55-Q58 PolarHBondContact O-N 2.89Å; L55-L59 HydrophobicContact CD1-CD1 3.72Å; L55-L59 HydrophobicContact CD1-CD2 4.33Å; L55-L59 HydrophobicContact CD1-CG 3.86Å; L55-L59 HydrophobicContact CD2-CD1 4.39Å; L55-L59 HydrophobicContact CG-CD1 3.69Å; L55-L59 HydrophobicContact CG-CG 4.13Å; L55-L59 WeakPolarHBondContact O-CB 3.41Å; L55-L59 WeakPolarHBondContact O-CG 3.27Å; L55-L59 PolarHBondContact O-N 3.34Å
56	L	76	Confident	75.1	Confident	121 Å²	121	97.4 Å²	97.4	63%	0.634	49%	0.494	S	S	*	.	H	α-helix	trans	-62.9	-33.3	-179.1	-71	170	0	0	0	113.8	G52 R53 E54 G60	G52-L56 PolarHBondContact O-N 2.83Å; R53-L56 PolarHBondContact O-N 2.94Å; E54-L56 PolarHBondContact O-N 3.38Å; L56-G60 WeakPolarHBondContact O-CA 3.24Å; L56-G60 PolarHBondContact O-N 2.94Å
57	R	80.4	Confident	75.8	Confident	162 Å²	162	92.3 Å²	92.3	61%	0.611	47%	0.47	S	S	*	.	H	α-helix	trans	-69.6	-46.9	174.8	-77.3	176.1	178.4	167.2	-4	111.9	R53 E54 L55 G60 K61	R53-R57 WeakPolarHBondContact O-CG 3.18Å; R53-R57 PolarHBondContact O-N 3.3Å; R53-R57 VanDerWaalsContact O-N 3.08Å; E54-R57 PolarHBondContact O-N 2.87Å; E54-R57 IonicContact OE2-NH1 3.79Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 3.4Å; R57-G60 PolarHBondContact O-N 3.08Å; R57-K61 WeakPolarHBondContact O-CB 3.15Å; R57-K61 PolarHBondContact O-N 3.46Å
58	Q	79.6	Confident	76.7	Confident	84 Å²	84	89.8 Å²	89.8	39%	0.393	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-46.3	179.1	-167.3	-179.5	23.7	0	0	110.6	E54 L55 K61 I62	E54-Q58 WeakPolarHBondContact O-CB 3.12Å; E54-Q58 PolarHBondContact O-N 3.3Å; L55-Q58 PolarHBondContact O-N 2.89Å; Q58-K61 PolarHBondContact O-N 3.45Å; Q58-I62 HydrophobicContact CG-CD1 3.9Å; Q58-I62 WeakPolarHBondContact O-CB 3.35Å; Q58-I62 WeakPolarHBondContact O-CD1 3.3Å; Q58-I62 WeakPolarHBondContact O-CG1 3.16Å; Q58-I62 PolarHBondContact O-N 3.04Å
59	L	81.9	Confident	77.9	Confident	19 Å²	19	85.9 Å²	85.9	10%	0.099	44%	0.444	C	S	.	.	H	α-helix	trans	-57	-52.8	171.3	-68.3	-176.2	0	0	0	110.4	G41 A45 L55 K61 I62 M63	G41-L59 VanDerWaalsContact O-CD2 3.3Å; G41-L59 WeakPolarHBondContact O-CD2 3.22Å; A45-L59 HydrophobicContact CB-CD2 4.29Å; L55-L59 HydrophobicContact CD1-CD1 3.72Å; L55-L59 HydrophobicContact CD1-CD2 4.33Å; L55-L59 HydrophobicContact CD1-CG 3.86Å; L55-L59 HydrophobicContact CD2-CD1 4.39Å; L55-L59 HydrophobicContact CG-CD1 3.69Å; L55-L59 HydrophobicContact CG-CG 4.13Å; L55-L59 WeakPolarHBondContact O-CB 3.41Å; L55-L59 WeakPolarHBondContact O-CG 3.27Å; L55-L59 PolarHBondContact O-N 3.34Å; L59-K61 PolarHBondContact O-N 3.46Å; L59-I62 CarbonylContact O-C 3.59Å; L59-I62 PolarHBondContact O-N 2.72Å; L59-I62 VanDerWaalsContact O-N 3.11Å; L59-M63 WeakPolarHBondContact O-CA 3.42Å; L59-M63 WeakPolarHBondContact O-CB 3.29Å; L59-M63 WeakPolarHBondContact O-CG 3.26Å; L59-M63 PolarHBondContact O-N 2.87Å
60	G	83	Confident	78.9	Confident	39 Å²	39	88.4 Å²	88.4	40%	0.402	44%	0.44	S	S	.	.	H	α-helix	trans	-54.9	-39.9	178.5	0	0	0	0	0	112.8	L56 R57 F64	L56-G60 WeakPolarHBondContact O-CA 3.24Å; L56-G60 PolarHBondContact O-N 2.94Å; R57-G60 PolarHBondContact O-N 3.08Å; G60-F64 WeakPolarHBondContact O-CB 3.48Å; G60-F64 PolarHBondContact O-N 3.49Å
61	K	83.6	Confident	80.3	Confident	166 Å²	166	86 Å²	86	72%	0.722	43%	0.427	S	S	*	.	H	α-helix	trans	-67	-47.3	175.3	-175.1	169.4	-178.5	167.4	0	112.5	R57 Q58 L59 M63 F64 T65	R57-K61 WeakPolarHBondContact O-CB 3.15Å; R57-K61 PolarHBondContact O-N 3.46Å; Q58-K61 PolarHBondContact O-N 3.45Å; L59-K61 PolarHBondContact O-N 3.46Å; K61-M63 VanDerWaalsContact C-N 3.34Å; K61-F64 PolarHBondContact O-N 2.92Å; K61-T65 WeakPolarHBondContact O-CG2 3.36Å; K61-T65 PolarHBondContact O-N 3.25Å
62	I	83.5	Confident	81.6	Confident	59 Å²	59	79.9 Å²	79.9	30%	0.303	41%	0.411	S	S	.	.	H	α-helix	trans	-61.2	-46.4	176.6	-68	162.9	0	0	0	110	Q58 L59 T65 S66	Q58-I62 HydrophobicContact CG-CD1 3.9Å; Q58-I62 WeakPolarHBondContact O-CB 3.35Å; Q58-I62 WeakPolarHBondContact O-CD1 3.3Å; Q58-I62 WeakPolarHBondContact O-CG1 3.16Å; Q58-I62 PolarHBondContact O-N 3.04Å; L59-I62 CarbonylContact O-C 3.59Å; L59-I62 PolarHBondContact O-N 2.72Å; L59-I62 VanDerWaalsContact O-N 3.11Å; I62-T65 WeakPolarHBondContact O-CG2 3.16Å; I62-T65 PolarHBondContact O-N 2.81Å; I62-S66 VanDerWaalsContact O-CB 3.24Å; I62-S66 WeakPolarHBondContact O-CB 3.43Å; I62-S66 PolarHBondContact O-N 3.13Å; I62-S66 PolarHBondContact O-OG 2.88Å
63	M	84.7	Confident	82.6	Confident	37 Å²	37	85.3 Å²	85.3	18%	0.182	42%	0.421	C	S	.	.	H	α-helix	trans	-58.6	-51.7	177.8	-70.7	-82.3	-77.9	0	0	110.9	A34 G37 V38 L59 K61 T65 S66 S67	A34-M63 VanDerWaalsContact CA-CE 3.49Å; A34-M63 HydrophobicContact CB-CE 3.55Å; A34-M63 HydrophobicContact CB-SD 4.34Å; A34-M63 WeakPolarHBondContact O-CE 3.38Å; G37-M63 VanDerWaalsContact CA-SD 3.55Å; V38-M63 HydrophobicContact CB-CE 4.43Å; V38-M63 HydrophobicContact CB-SD 4.29Å; V38-M63 HydrophobicContact CG2-CE 3.16Å; V38-M63 HydrophobicContact CG2-SD 3.51Å; V38-M63 VanDerWaalsContact CG2-SD 3.51Å; V38-M63 PolarHBondContact N-SD 3.24Å; L59-M63 WeakPolarHBondContact O-CA 3.42Å; L59-M63 WeakPolarHBondContact O-CB 3.29Å; L59-M63 WeakPolarHBondContact O-CG 3.26Å; L59-M63 PolarHBondContact O-N 2.87Å; K61-M63 VanDerWaalsContact C-N 3.34Å; M63-T65 PolarHBondContact O-N 3.33Å; M63-S66 PolarHBondContact O-N 3.41Å; M63-S67 WeakPolarHBondContact O-CA 3.05Å; M63-S67 WeakPolarHBondContact O-CB 3.24Å; M63-S67 PolarHBondContact O-N 3.49Å; M63-S67 PolarHBondContact O-OG 2.8Å
64	F	85.9	Confident	83.4	Confident	165 Å²	165	81.2 Å²	81.2	72%	0.724	41%	0.412	S	S	*	.	H	α-helix	trans	-63.5	-41.1	-178.4	-171.3	-98.4	0	0	0	112	G60 K61 S67 G68	G60-F64 WeakPolarHBondContact O-CB 3.48Å; G60-F64 PolarHBondContact O-N 3.49Å; K61-F64 PolarHBondContact O-N 2.92Å; F64-S67 PolarHBondContact O-OG 3.35Å; F64-G68 PolarHBondContact O-N 2.85Å
65	T	86.3	Confident	83.9	Confident	86 Å²	86	76.7 Å²	76.7	53%	0.528	39%	0.393	S	S	.	.	H	α-helix	trans	-68.8	-42.6	175.9	-168.1	0	0	0	0	111.7	K61 I62 M63 S69	K61-T65 WeakPolarHBondContact O-CG2 3.36Å; K61-T65 PolarHBondContact O-N 3.25Å; I62-T65 WeakPolarHBondContact O-CG2 3.16Å; I62-T65 PolarHBondContact O-N 2.81Å; M63-T65 PolarHBondContact O-N 3.33Å; T65-S69 PolarHBondContact O-N 3.23Å; T65-S69 VanDerWaalsContact O-N 3.13Å; T65-S69 PolarHBondContact O-OG 3.5Å
66	S	84.5	Confident	84.6	Confident	34 Å²	34	78.9 Å²	78.9	24%	0.238	41%	0.407	C	S	.	.	H	α-helix	trans	-68.2	-50.6	179.5	-65.4	0	0	0	0	111	I62 M63 G68 S69 F70	I62-S66 VanDerWaalsContact O-CB 3.24Å; I62-S66 WeakPolarHBondContact O-CB 3.43Å; I62-S66 PolarHBondContact O-N 3.13Å; I62-S66 PolarHBondContact O-OG 2.88Å; M63-S66 PolarHBondContact O-N 3.41Å; S66-G68 PolarHBondContact O-N 3.19Å; S66-S69 PolarHBondContact O-N 3.26Å; S66-F70 WeakPolarHBondContact O-CB 3.44Å; S66-F70 WeakPolarHBondContact O-CD2 3.4Å; S66-F70 PolarHBondContact O-N 2.94Å
67	S	85.3	Confident	85	Confident	22 Å²	22	75.1 Å²	75.1	15%	0.154	40%	0.398	C	S	.	.	H	α-helix	trans	-61	-35.4	177	68.9	0	0	0	0	111.8	M63 F64 G71	M63-S67 WeakPolarHBondContact O-CA 3.05Å; M63-S67 WeakPolarHBondContact O-CB 3.24Å; M63-S67 PolarHBondContact O-N 3.49Å; M63-S67 PolarHBondContact O-OG 2.8Å; F64-S67 PolarHBondContact O-OG 3.35Å; S67-G71 WeakPolarHBondContact O-CA 3.45Å; S67-G71 PolarHBondContact O-N 2.73Å
68	G	87.6	Confident	85.1	Confident	31 Å²	31	68.3 Å²	68.3	32%	0.32	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-52.3	174.5	0	0	0	0	0	111.9	F64 S66 L72	F64-G68 PolarHBondContact O-N 2.85Å; S66-G68 PolarHBondContact O-N 3.19Å; G68-L72 VanDerWaalsContact O-CB 3.24Å; G68-L72 WeakPolarHBondContact O-CB 3.44Å; G68-L72 PolarHBondContact O-N 2.9Å
69	S	87.5	Confident	85.2	Confident	61 Å²	61	66.3 Å²	66.3	43%	0.427	37%	0.373	S	S	.	.	H	α-helix	trans	-66.4	-48.5	178.6	-57.1	0	0	0	0	112.5	T65 S66 L72 F73	T65-S69 PolarHBondContact O-N 3.23Å; T65-S69 VanDerWaalsContact O-N 3.13Å; T65-S69 PolarHBondContact O-OG 3.5Å; S66-S69 PolarHBondContact O-N 3.26Å; S69-L72 PolarHBondContact O-N 3.45Å; S69-F73 VanDerWaalsContact O-CD2 3.26Å; S69-F73 WeakPolarHBondContact O-CD2 3.28Å; S69-F73 PolarHBondContact O-N 2.95Å
70	F	85.9	Confident	85.3	Confident	105 Å²	105	72.3 Å²	72.3	46%	0.461	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-42.3	179.6	-81.2	-71.2	0	0	0	112.2	S66 F73 M74	S66-F70 WeakPolarHBondContact O-CB 3.44Å; S66-F70 WeakPolarHBondContact O-CD2 3.4Å; S66-F70 PolarHBondContact O-N 2.94Å; F70-F73 PolarHBondContact O-N 3.49Å; F70-M74 PolarHBondContact O-N 2.89Å; F70-M74 VanDerWaalsContact O-N 3.08Å
71	G	88.1	Confident	85	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-60.2	-43.6	172.7	0	0	0	0	0	111.7	S67 A75	S67-G71 WeakPolarHBondContact O-CA 3.45Å; S67-G71 PolarHBondContact O-N 2.73Å; G71-A75 WeakPolarHBondContact O-CB 3.31Å; G71-A75 PolarHBondContact O-N 3.35Å
72	L	88.8	Confident	84.2	Confident	108 Å²	108	75.8 Å²	75.8	57%	0.565	41%	0.412	S	S	*	.	H	α-helix	trans	-64.8	-44.8	177.3	-175.5	65.4	0	0	0	112.3	G68 S69 M74 A75 V76	G68-L72 VanDerWaalsContact O-CB 3.24Å; G68-L72 WeakPolarHBondContact O-CB 3.44Å; G68-L72 PolarHBondContact O-N 2.9Å; S69-L72 PolarHBondContact O-N 3.45Å; L72-M74 PolarHBondContact O-N 3.31Å; L72-A75 PolarHBondContact O-N 3.38Å; L72-V76 HydrophobicContact CD1-CG2 4.19Å; L72-V76 HydrophobicContact CG-CG2 4.38Å; L72-V76 WeakPolarHBondContact O-CB 3.4Å; L72-V76 VanDerWaalsContact O-CG2 3.24Å; L72-V76 WeakPolarHBondContact O-CG2 3.46Å; L72-V76 PolarHBondContact O-N 3.49Å
73	F	88.2	Confident	84.2	Confident	163 Å²	163	76.7 Å²	76.7	72%	0.715	42%	0.418	S	S	*	.	H	α-helix	trans	-60.4	-46.4	177.1	-89.3	-72.3	0	0	0	112.3	S69 F70 V76 G77	S69-F73 VanDerWaalsContact O-CD2 3.26Å; S69-F73 WeakPolarHBondContact O-CD2 3.28Å; S69-F73 PolarHBondContact O-N 2.95Å; F70-F73 PolarHBondContact O-N 3.49Å; F73-V76 PolarHBondContact O-N 2.81Å; F73-G77 PolarHBondContact O-N 3.31Å
74	M	84.1	Confident	84.2	Confident	113 Å²	113	78.7 Å²	78.7	56%	0.557	43%	0.43	S	S	*	.	H	α-helix	trans	-69	-35.8	177.3	-72.1	-64.9	-164.1	0	0	112.3	G25 F70 L72 G77 S78	G25-M74 VanDerWaalsContact O-CB 3.3Å; G25-M74 WeakPolarHBondContact O-CB 3.31Å; F70-M74 PolarHBondContact O-N 2.89Å; F70-M74 VanDerWaalsContact O-N 3.08Å; L72-M74 PolarHBondContact O-N 3.31Å; M74-G77 PolarHBondContact O-N 2.82Å; M74-S78 VanDerWaalsContact O-CB 3.31Å; M74-S78 WeakPolarHBondContact O-CB 3.39Å; M74-S78 PolarHBondContact O-N 2.96Å; M74-S78 PolarHBondContact O-OG 2.82Å
75	A	85	Confident	84.1	Confident	10 Å²	10	73.9 Å²	73.9	8%	0.083	41%	0.414	C	S	.	.	H	α-helix	trans	-63.3	-45.2	173.9	0	0	0	0	0	111.4	I22 F26 G71 L72 S78 A79	I22-A75 HydrophobicContact CG2-CB 4.07Å; F26-A75 HydrophobicContact CB-CB 4.1Å; F26-A75 HydrophobicContact CD2-CB 4.36Å; G71-A75 WeakPolarHBondContact O-CB 3.31Å; G71-A75 PolarHBondContact O-N 3.35Å; L72-A75 PolarHBondContact O-N 3.38Å; A75-S78 WeakPolarHBondContact O-CB 3.24Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-A79 WeakPolarHBondContact O-CB 3.49Å; A75-A79 PolarHBondContact O-N 3.14Å
76	V	87	Confident	84	Confident	71 Å²	71	73.2 Å²	73.2	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-67.4	-43.2	175.8	173.8	0	0	0	0	110.8	L72 F73 S78 A79 L80	L72-V76 HydrophobicContact CD1-CG2 4.19Å; L72-V76 HydrophobicContact CG-CG2 4.38Å; L72-V76 WeakPolarHBondContact O-CB 3.4Å; L72-V76 VanDerWaalsContact O-CG2 3.24Å; L72-V76 WeakPolarHBondContact O-CG2 3.46Å; L72-V76 PolarHBondContact O-N 3.49Å; F73-V76 PolarHBondContact O-N 2.81Å; V76-S78 PolarHBondContact O-N 3.17Å; V76-A79 WeakPolarHBondContact O-CB 3.12Å; V76-A79 PolarHBondContact O-N 2.86Å; V76-A79 VanDerWaalsContact O-N 3.11Å; V76-L80 HydrophobicContact CG1-CD1 4.11Å; V76-L80 HydrophobicContact CG1-CG 4.3Å; V76-L80 WeakPolarHBondContact O-CG 3.36Å; V76-L80 PolarHBondContact O-N 2.94Å
77	G	84.8	Confident	83.9	Confident	43 Å²	43	75.7 Å²	75.7	44%	0.443	42%	0.418	S	S	.	.	H	α-helix	trans	-59.9	-35.5	174.9	0	0	0	0	0	112.5	F73 M74 R81	F73-G77 PolarHBondContact O-N 3.31Å; M74-G77 PolarHBondContact O-N 2.82Å; G77-R81 WeakPolarHBondContact O-CB 3.32Å; G77-R81 PolarHBondContact O-N 3.45Å
78	S	81.1	Confident	83.8	Confident	19 Å²	19	79.3 Å²	79.3	13%	0.133	44%	0.435	C	S	.	.	H	α-helix	trans	-70.6	-45.8	172	-61.1	0	0	0	0	111.3	Q21 M74 A75 V76 L80 R81 C82	Q21-S78 WeakPolarHBondContact O-CB 3.2Å; M74-S78 VanDerWaalsContact O-CB 3.31Å; M74-S78 WeakPolarHBondContact O-CB 3.39Å; M74-S78 PolarHBondContact O-N 2.96Å; M74-S78 PolarHBondContact O-OG 2.82Å; A75-S78 WeakPolarHBondContact O-CB 3.24Å; A75-S78 PolarHBondContact O-N 3.32Å; V76-S78 PolarHBondContact O-N 3.17Å; S78-L80 VanDerWaalsContact C-N 3.29Å; S78-L80 PolarHBondContact O-N 2.99Å; S78-R81 WeakPolarHBondContact O-CB 3.44Å; S78-R81 PolarHBondContact O-N 3.47Å; S78-C82 PolarHBondContact O-N 2.81Å; S78-C82 PolarHBondContact O-SG 3.11Å
79	A	82	Confident	83.6	Confident	42 Å²	42	82.7 Å²	82.7	35%	0.347	44%	0.444	S	S	.	.	H	α-helix	trans	-57.3	-39.9	177.7	0	0	0	0	0	112.7	I22 A75 V76 R81	I22-A79 HydrophobicContact CD1-CB 3.64Å; I22-A79 HydrophobicContact CG1-CB 3.7Å; A75-A79 WeakPolarHBondContact O-CB 3.49Å; A75-A79 PolarHBondContact O-N 3.14Å; V76-A79 WeakPolarHBondContact O-CB 3.12Å; V76-A79 PolarHBondContact O-N 2.86Å; V76-A79 VanDerWaalsContact O-N 3.11Å; A79-R81 VanDerWaalsContact C-N 3.28Å; A79-R81 PolarHBondContact O-N 2.88Å
80	L	84.3	Confident	83.3	Confident	144 Å²	144	84.4 Å²	84.4	75%	0.754	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.1	177	-67.8	175.2	0	0	0	113.3	V76 S78	V76-L80 HydrophobicContact CG1-CD1 4.11Å; V76-L80 HydrophobicContact CG1-CG 4.3Å; V76-L80 WeakPolarHBondContact O-CG 3.36Å; V76-L80 PolarHBondContact O-N 2.94Å; S78-L80 VanDerWaalsContact C-N 3.29Å; S78-L80 PolarHBondContact O-N 2.99Å
81	R	76.8	Confident	83	Confident	197 Å²	197	82.7 Å²	82.7	74%	0.743	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-19.4	-177.9	-173.4	80.5	-164.9	104.8	-4.1	112.4	G77 S78 A79	G77-R81 WeakPolarHBondContact O-CB 3.32Å; G77-R81 PolarHBondContact O-N 3.45Å; S78-R81 WeakPolarHBondContact O-CB 3.44Å; S78-R81 PolarHBondContact O-N 3.47Å; A79-R81 VanDerWaalsContact C-N 3.28Å; A79-R81 PolarHBondContact O-N 2.88Å
82	C	66.5	Low	82.6	Confident	82 Å²	82	90.2 Å²	90.2	55%	0.554	48%	0.484	S	S	*	.			trans	-74.6	0	178.7	-55.6	0	0	0	0	111.2	C18 Q21 S78	C18-C82 WeakPolarHBondContact CA-SG 3.37Å; C18-C82 HydrophobicContact CB-CB 3.45Å; C18-C82 VanDerWaalsContact CB-CB 3.45Å; C18-C82 WeakPolarHBondContact SG-CB 3.44Å; Q21-C82 VanDerWaalsContact CB-SG 3.55Å; Q21-C82 VanDerWaalsContact CD-SG 3.57Å; Q21-C82 PolarHBondContact OE1-SG 3.32Å; Q21-C82 VanDerWaalsContact OE1-SG 3.32Å; S78-C82 PolarHBondContact O-N 2.81Å; S78-C82 PolarHBondContact O-SG 3.11Å

Retrieved 82 of 82 residues in 84 ms (Link to these results)

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