G4VML9_SCHMA Loading...

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 G4VML9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 aa.

						>G4VML9_SCHMA|G4VML9
MPIAPNTYGGVSQPSCLAKVKFGFLMGFCVGVATGAIFGGFSCLRYGLRGRELIQTVGKGMFQGGGTFGMFMAIGTAIRC
					

Structure Viewer

Loading PAE data...

(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	40.7	Very low	48.1	Very low	223 Å²	223	120.1 Å²	120.1	100%	1.099	74%	0.737	S	S	*	*				0	125.9	0	56.2	-166.7	-87	0	0	108.1	I3	M1-I3 PolarHBondContact O-N 3.34Å
2	P	49.5	Very low	48.1	Very low	125 Å²	125	118.9 Å²	118.9	81%	0.812	74%	0.738	S	S	*	*			trans	-62.9	129.8	175.1	27.4	-31	0	0	0	108.2	A4	P2-A4 PolarHBondContact O-N 2.66Å
3	I	53.4	Low	48.2	Very low	165 Å²	165	123.2 Å²	123.2	85%	0.846	74%	0.744	S	S	*	*			trans	-58.7	106	177.7	-177.7	91.8	0	0	0	108	M1 P5	M1-I3 PolarHBondContact O-N 3.34Å; I3-P5 WeakPolarHBondContact O-CD 3.31Å
4	A	50.8	Low	48.8	Very low	60 Å²	60	117.4 Å²	117.4	50%	0.496	71%	0.71	S	S	.	*			trans	-63.9	122	-178.1	0	0	0	0	0	109.3	P2 N6	P2-A4 PolarHBondContact O-N 2.66Å; A4-N6 VanDerWaalsContact C-OD1 3.26Å; A4-N6 WeakPolarHBondContact CB-OD1 3.42Å; A4-N6 PolarHBondContact O-N 2.89Å
5	P	52.9	Low	50.3	Low	127 Å²	127	115.7 Å²	115.7	83%	0.825	71%	0.706	S	S	*	*	S	Bend	trans	-74.4	65.7	175.6	32.6	-33.6	0	0	0	109.8	I3	I3-P5 WeakPolarHBondContact O-CD 3.31Å
6	N	47.7	Very low	52	Low	108 Å²	108	112.9 Å²	112.9	58%	0.578	69%	0.691	S	S	*	*			trans	-146.1	13.2	-171.3	-50.1	69.3	0	0	0	113.5	A4 Y8 G9	A4-N6 VanDerWaalsContact C-OD1 3.26Å; A4-N6 WeakPolarHBondContact CB-OD1 3.42Å; A4-N6 PolarHBondContact O-N 2.89Å; N6-Y8 PolarHBondContact O-N 3.48Å; N6-G9 PolarHBondContact O-N 3.47Å
7	T	47.5	Very low	53.8	Low	123 Å²	123	112.9 Å²	112.9	76%	0.755	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	4.5	177.9	48	0	0	0	0	114.6
8	Y	46	Very low	55.4	Low	106 Å²	106	108.8 Å²	108.8	42%	0.416	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.4	25.7	170	-80.5	-91.3	0	0	0	113.3	N6 P14 F22	N6-Y8 PolarHBondContact O-N 3.48Å; Y8-P14 HydrophobicContact CD1-CG 3.84Å; Y8-P14 HydrophobicContact CE1-CG 4.22Å; Y8-F22 AromaticContact CD2-CD1 3.88Å; Y8-F22 HydrophobicContact CD2-CD1 3.88Å; Y8-F22 AromaticContact CD2-CE1 3.61Å; Y8-F22 HydrophobicContact CD2-CE1 3.61Å; Y8-F22 HydrophobicContact CD2-CZ 4.11Å; Y8-F22 HydrophobicContact CE1-CB 4.47Å; Y8-F22 HydrophobicContact CE1-CD1 4.29Å; Y8-F22 HydrophobicContact CE1-CD2 4.37Å; Y8-F22 HydrophobicContact CE1-CG 4.1Å; Y8-F22 AromaticContact CE2-CD1 3.4Å; Y8-F22 HydrophobicContact CE2-CD1 3.4Å; Y8-F22 AromaticContact CE2-CD2 3.92Å; Y8-F22 HydrophobicContact CE2-CD2 3.92Å; Y8-F22 AromaticContact CE2-CE1 3.03Å; Y8-F22 HydrophobicContact CE2-CE1 3.03Å; Y8-F22 AromaticContact CE2-CE2 3.59Å; Y8-F22 HydrophobicContact CE2-CE2 3.59Å; Y8-F22 AromaticContact CE2-CG 3.81Å; Y8-F22 HydrophobicContact CE2-CG 3.81Å; Y8-F22 AromaticContact CE2-CZ 3.12Å; Y8-F22 HydrophobicContact CE2-CZ 3.12Å; Y8-F22 AromaticContact CZ-CD1 3.61Å; Y8-F22 AromaticContact CZ-CD2 3.48Å; Y8-F22 VanDerWaalsContact CZ-CD2 3.48Å; Y8-F22 AromaticContact CZ-CE1 3.66Å; Y8-F22 AromaticContact CZ-CE2 3.52Å; Y8-F22 AromaticContact CZ-CG 3.5Å; Y8-F22 VanDerWaalsContact CZ-CG 3.5Å; Y8-F22 AromaticContact CZ-CZ 3.6Å; Y8-F22 WeakPolarHBondContact OH-CD2 3.47Å; Y8-F22 WeakPolarHBondContact OH-CE2 3.08Å; Y8-F22 WeakPolarHBondContact OH-CG 3.31Å; Y8-F22 WeakPolarHBondContact OH-CZ 3.14Å
9	G	44.6	Very low	56.8	Low	71 Å²	71	107.8 Å²	107.8	73%	0.732	65%	0.651	S	S	*	*	S	Bend	trans	-114.6	6.1	-178.4	0	0	0	0	0	115.9	N6	N6-G9 PolarHBondContact O-N 3.47Å
10	G	47	Very low	58.2	Low	62 Å²	62	104.3 Å²	104.3	64%	0.639	63%	0.629	S	S	*	*	S	Bend	trans	-147.1	121	-177.4	0	0	0	0	0	111.9
11	V	49.2	Very low	59.5	Low	151 Å²	151	105.7 Å²	105.7	92%	0.915	63%	0.627	S	S	*	*	S	Bend	trans	77.7	94.8	176.3	-158.7	0	0	0	0	114.2
12	S	48.7	Very low	61.6	Low	106 Å²	106	97.8 Å²	97.8	74%	0.741	59%	0.587	S	S	*	*	S	Bend	trans	79.6	101.7	177.2	-148.2	0	0	0	0	114.2	P14	S12-P14 WeakPolarHBondContact O-CD 2.99Å
13	Q	48.7	Very low	63.5	Low	175 Å²	175	92.3 Å²	92.3	82%	0.818	55%	0.553	S	S	*	*			trans	-51.4	107.5	163.8	-76.3	-85.2	-81.9	0	0	108.5	S15	Q13-S15 PolarHBondContact O-N 2.87Å
14	P	57	Low	65.2	Low	42 Å²	42	88.5 Å²	88.5	27%	0.273	53%	0.53	S	S	.	.			trans	-67.8	132.3	164.1	0.3	17.2	0	0	0	105.9	Y8 S12 A18	Y8-P14 HydrophobicContact CD1-CG 3.84Å; Y8-P14 HydrophobicContact CE1-CG 4.22Å; S12-P14 WeakPolarHBondContact O-CD 2.99Å; P14-A18 HydrophobicContact CB-CB 3.33Å
15	S	71.5	Confident	67.2	Low	92 Å²	92	90.4 Å²	90.4	64%	0.643	53%	0.532	S	S	*	.			trans	-45.9	153.1	172.4	-50.3	0	0	0	0	110.4	Q13 L17 A18 K19	Q13-S15 PolarHBondContact O-N 2.87Å; S15-L17 CarbonylContact O-C 3.51Å; S15-L17 PolarHBondContact O-N 3.38Å; S15-A18 WeakPolarHBondContact O-CA 3.2Å; S15-A18 WeakPolarHBondContact O-CB 3.41Å; S15-A18 PolarHBondContact O-N 3.38Å; S15-K19 PolarHBondContact O-N 3.19Å
16	C	77.2	Confident	68.9	Low	70 Å²	70	88.7 Å²	88.7	47%	0.473	51%	0.514	S	S	.	.	H	α-helix	trans	-45.1	-39.6	179.9	-58.1	0	0	0	0	112.6	A18 K19 V20 C80	C16-A18 PolarHBondContact O-N 2.94Å; C16-K19 WeakPolarHBondContact O-CB 3.42Å; C16-K19 PolarHBondContact O-N 3.1Å; C16-V20 VanDerWaalsContact O-CG2 3.28Å; C16-V20 WeakPolarHBondContact O-CG2 3.5Å; C16-V20 PolarHBondContact O-N 3.18Å; C16-C80 WeakPolarHBondContact CA-SG 3.42Å; C16-C80 HydrophobicContact CB-CB 3.52Å; C16-C80 VanDerWaalsContact CB-SG 3.56Å; C16-C80 VanDerWaalsContact SG-CB 3.53Å
17	L	82.2	Confident	71	Confident	114 Å²	114	84 Å²	84	60%	0.597	49%	0.491	S	S	*	.	H	α-helix	trans	-55.3	-45.3	172.3	-166.4	88.6	0	0	0	114.5	S15 K19 V20 K21	S15-L17 CarbonylContact O-C 3.51Å; S15-L17 PolarHBondContact O-N 3.38Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-V20 PolarHBondContact O-N 3.39Å; L17-K21 HydrophobicContact CD2-CD 4.44Å; L17-K21 HydrophobicContact CG-CD 4.45Å; L17-K21 WeakPolarHBondContact O-CB 3.04Å; L17-K21 VanDerWaalsContact O-CG 3.27Å; L17-K21 WeakPolarHBondContact O-CG 3.25Å; L17-K21 PolarHBondContact O-N 3.37Å
18	A	82.9	Confident	73.1	Confident	39 Å²	39	80.5 Å²	80.5	32%	0.322	47%	0.465	S	S	.	.	H	α-helix	trans	-68.8	-33.6	178.7	0	0	0	0	0	111.9	P14 S15 C16 K21 F22	P14-A18 HydrophobicContact CB-CB 3.33Å; S15-A18 WeakPolarHBondContact O-CA 3.2Å; S15-A18 WeakPolarHBondContact O-CB 3.41Å; S15-A18 PolarHBondContact O-N 3.38Å; C16-A18 PolarHBondContact O-N 2.94Å; A18-K21 PolarHBondContact O-N 3.45Å; A18-F22 WeakPolarHBondContact O-CB 3.45Å; A18-F22 PolarHBondContact O-N 2.87Å
19	K	81.3	Confident	75.2	Confident	90 Å²	90	79 Å²	79	39%	0.391	47%	0.469	S	S	.	.	H	α-helix	trans	-66.2	-43	171.4	-159.7	178.3	-158.4	171.7	0	111.9	S15 C16 L17 F22 G23 C80	S15-K19 PolarHBondContact O-N 3.19Å; C16-K19 WeakPolarHBondContact O-CB 3.42Å; C16-K19 PolarHBondContact O-N 3.1Å; L17-K19 VanDerWaalsContact C-N 3.34Å; K19-F22 PolarHBondContact O-N 3.47Å; K19-G23 PolarHBondContact O-N 3.34Å; K19-C80 VanDerWaalsContact CD-SG 3.57Å
20	V	84.7	Confident	77.3	Confident	36 Å²	36	79.9 Å²	79.9	22%	0.218	46%	0.46	C	S	.	.	H	α-helix	trans	-63	-44.1	174.8	174.6	0	0	0	0	111.4	C16 L17 F22 G23 F24 A73 T76 A77	C16-V20 VanDerWaalsContact O-CG2 3.28Å; C16-V20 WeakPolarHBondContact O-CG2 3.5Å; C16-V20 PolarHBondContact O-N 3.18Å; L17-V20 PolarHBondContact O-N 3.39Å; V20-F22 VanDerWaalsContact C-N 3.35Å; V20-F22 PolarHBondContact O-N 3.28Å; V20-G23 PolarHBondContact O-N 2.9Å; V20-F24 WeakPolarHBondContact O-CB 3.15Å; V20-F24 PolarHBondContact O-N 3.44Å; V20-A73 HydrophobicContact CG1-CB 3.9Å; V20-T76 WeakPolarHBondContact CA-OG1 3.43Å; V20-A77 HydrophobicContact CG2-CB 3.65Å
21	K	85.7	Confident	79.4	Confident	135 Å²	135	77.2 Å²	77.2	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-60.6	-44	174.7	-77.7	176.8	174.7	-176.5	0	111.9	L17 A18 F24 L25	L17-K21 HydrophobicContact CD2-CD 4.44Å; L17-K21 HydrophobicContact CG-CD 4.45Å; L17-K21 WeakPolarHBondContact O-CB 3.04Å; L17-K21 VanDerWaalsContact O-CG 3.27Å; L17-K21 WeakPolarHBondContact O-CG 3.25Å; L17-K21 PolarHBondContact O-N 3.37Å; A18-K21 PolarHBondContact O-N 3.45Å; K21-F24 PolarHBondContact O-N 2.93Å; K21-L25 WeakPolarHBondContact O-CB 3.27Å; K21-L25 PolarHBondContact O-N 3.43Å
22	F	86.1	Confident	81.3	Confident	56 Å²	56	71.7 Å²	71.7	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-67.9	-41.3	177.8	-173.9	-102	0	0	0	112	Y8 A18 K19 V20 L25 M26	Y8-F22 AromaticContact CD2-CD1 3.88Å; Y8-F22 HydrophobicContact CD2-CD1 3.88Å; Y8-F22 AromaticContact CD2-CE1 3.61Å; Y8-F22 HydrophobicContact CD2-CE1 3.61Å; Y8-F22 HydrophobicContact CD2-CZ 4.11Å; Y8-F22 HydrophobicContact CE1-CB 4.47Å; Y8-F22 HydrophobicContact CE1-CD1 4.29Å; Y8-F22 HydrophobicContact CE1-CD2 4.37Å; Y8-F22 HydrophobicContact CE1-CG 4.1Å; Y8-F22 AromaticContact CE2-CD1 3.4Å; Y8-F22 HydrophobicContact CE2-CD1 3.4Å; Y8-F22 AromaticContact CE2-CD2 3.92Å; Y8-F22 HydrophobicContact CE2-CD2 3.92Å; Y8-F22 AromaticContact CE2-CE1 3.03Å; Y8-F22 HydrophobicContact CE2-CE1 3.03Å; Y8-F22 AromaticContact CE2-CE2 3.59Å; Y8-F22 HydrophobicContact CE2-CE2 3.59Å; Y8-F22 AromaticContact CE2-CG 3.81Å; Y8-F22 HydrophobicContact CE2-CG 3.81Å; Y8-F22 AromaticContact CE2-CZ 3.12Å; Y8-F22 HydrophobicContact CE2-CZ 3.12Å; Y8-F22 AromaticContact CZ-CD1 3.61Å; Y8-F22 AromaticContact CZ-CD2 3.48Å; Y8-F22 VanDerWaalsContact CZ-CD2 3.48Å; Y8-F22 AromaticContact CZ-CE1 3.66Å; Y8-F22 AromaticContact CZ-CE2 3.52Å; Y8-F22 AromaticContact CZ-CG 3.5Å; Y8-F22 VanDerWaalsContact CZ-CG 3.5Å; Y8-F22 AromaticContact CZ-CZ 3.6Å; Y8-F22 WeakPolarHBondContact OH-CD2 3.47Å; Y8-F22 WeakPolarHBondContact OH-CE2 3.08Å; Y8-F22 WeakPolarHBondContact OH-CG 3.31Å; Y8-F22 WeakPolarHBondContact OH-CZ 3.14Å; A18-F22 WeakPolarHBondContact O-CB 3.45Å; A18-F22 PolarHBondContact O-N 2.87Å; K19-F22 PolarHBondContact O-N 3.47Å; V20-F22 VanDerWaalsContact C-N 3.35Å; V20-F22 PolarHBondContact O-N 3.28Å; F22-L25 PolarHBondContact O-N 3.42Å; F22-M26 HydrophobicContact CD1-CG 4.02Å; F22-M26 HydrophobicContact CD2-CE 4.39Å; F22-M26 HydrophobicContact CD2-CG 4.33Å; F22-M26 HydrophobicContact CE1-CE 4.27Å; F22-M26 HydrophobicContact CE1-CG 3.51Å; F22-M26 HydrophobicContact CE2-CE 3.3Å; F22-M26 HydrophobicContact CE2-CG 3.88Å; F22-M26 HydrophobicContact CE2-SD 4.4Å; F22-M26 HydrophobicContact CG-CG 4.42Å; F22-M26 HydrophobicContact CZ-CE 3.23Å; F22-M26 HydrophobicContact CZ-CG 3.45Å; F22-M26 VanDerWaalsContact CZ-CG 3.45Å; F22-M26 HydrophobicContact CZ-SD 3.99Å; F22-M26 WeakPolarHBondContact O-CB 3.21Å; F22-M26 WeakPolarHBondContact O-CG 3.43Å; F22-M26 PolarHBondContact O-N 2.99Å
23	G	88.7	Confident	83.3	Confident	10 Å²	10	68.8 Å²	68.8	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-61.2	-43.5	174.2	0	0	0	0	0	112.4	K19 V20 G27	K19-G23 PolarHBondContact O-N 3.34Å; V20-G23 PolarHBondContact O-N 2.9Å; G23-G27 PolarHBondContact O-N 2.74Å
24	F	90.3	Very high	85.1	Confident	85 Å²	85	63.8 Å²	63.8	37%	0.373	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-48.7	173.1	-175.1	-98.2	0	0	0	111.5	V20 K21 G27 F28 G69 A73	V20-F24 WeakPolarHBondContact O-CB 3.15Å; V20-F24 PolarHBondContact O-N 3.44Å; K21-F24 PolarHBondContact O-N 2.93Å; F24-G27 PolarHBondContact O-N 2.92Å; F24-F28 HydrophobicContact CE1-CB 4.44Å; F24-F28 WeakPolarHBondContact O-CB 3.23Å; F24-F28 PolarHBondContact O-N 2.77Å; F24-G69 WeakPolarHBondContact CD2-O 3.26Å; F24-A73 HydrophobicContact CB-CB 3.93Å; F24-A73 HydrophobicContact CD2-CB 4.16Å
25	L	91	Very high	86.6	Confident	101 Å²	101	63 Å²	63	53%	0.529	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-44.1	-178.5	-179.1	66	0	0	0	111.9	K21 F22 C29	K21-L25 WeakPolarHBondContact O-CB 3.27Å; K21-L25 PolarHBondContact O-N 3.43Å; F22-L25 PolarHBondContact O-N 3.42Å; L25-C29 VanDerWaalsContact O-CB 3.24Å; L25-C29 WeakPolarHBondContact O-CB 3.3Å; L25-C29 PolarHBondContact O-N 3.25Å
26	M	89.3	Confident	87.2	Confident	91 Å²	91	60.2 Å²	60.2	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-45.3	177.1	-75.1	-65.5	160.7	0	0	111.3	F22 F28 C29 V30	F22-M26 HydrophobicContact CD1-CG 4.02Å; F22-M26 HydrophobicContact CD2-CE 4.39Å; F22-M26 HydrophobicContact CD2-CG 4.33Å; F22-M26 HydrophobicContact CE1-CE 4.27Å; F22-M26 HydrophobicContact CE1-CG 3.51Å; F22-M26 HydrophobicContact CE2-CE 3.3Å; F22-M26 HydrophobicContact CE2-CG 3.88Å; F22-M26 HydrophobicContact CE2-SD 4.4Å; F22-M26 HydrophobicContact CG-CG 4.42Å; F22-M26 HydrophobicContact CZ-CE 3.23Å; F22-M26 HydrophobicContact CZ-CG 3.45Å; F22-M26 VanDerWaalsContact CZ-CG 3.45Å; F22-M26 HydrophobicContact CZ-SD 3.99Å; F22-M26 WeakPolarHBondContact O-CB 3.21Å; F22-M26 WeakPolarHBondContact O-CG 3.43Å; F22-M26 PolarHBondContact O-N 2.99Å; M26-F28 VanDerWaalsContact C-N 3.35Å; M26-F28 PolarHBondContact O-N 3.3Å; M26-C29 PolarHBondContact O-N 3.04Å; M26-V30 WeakPolarHBondContact O-CB 3.24Å; M26-V30 WeakPolarHBondContact O-CG2 3.33Å; M26-V30 PolarHBondContact O-N 3.34Å
27	G	91	Very high	87.6	Confident	9 Å²	9	62.3 Å²	62.3	9%	0.093	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-39.3	176.4	0	0	0	0	0	112.7	G23 F24 G31	G23-G27 PolarHBondContact O-N 2.74Å; F24-G27 PolarHBondContact O-N 2.92Å; G27-G31 PolarHBondContact O-N 3.33Å
28	F	91.6	Very high	87.7	Confident	49 Å²	49	63.8 Å²	63.8	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-49.3	174.2	-179.3	-97.5	0	0	0	111	F24 M26 V30 G31 V32 F62 G65	F24-F28 HydrophobicContact CE1-CB 4.44Å; F24-F28 WeakPolarHBondContact O-CB 3.23Å; F24-F28 PolarHBondContact O-N 2.77Å; M26-F28 VanDerWaalsContact C-N 3.35Å; M26-F28 PolarHBondContact O-N 3.3Å; F28-V30 PolarHBondContact O-N 3.14Å; F28-G31 PolarHBondContact O-N 3.02Å; F28-V32 HydrophobicContact CD1-CG2 4.07Å; F28-V32 HydrophobicContact CD2-CG2 4.27Å; F28-V32 HydrophobicContact CE1-CG2 3.69Å; F28-V32 HydrophobicContact CE2-CG2 3.88Å; F28-V32 HydrophobicContact CG-CG2 4.34Å; F28-V32 HydrophobicContact CZ-CG2 3.56Å; F28-V32 WeakPolarHBondContact O-CB 3.3Å; F28-V32 WeakPolarHBondContact O-CG2 3.33Å; F28-V32 PolarHBondContact O-N 3.11Å; F28-F62 AromaticContact CE2-CD1 3.83Å; F28-F62 HydrophobicContact CE2-CD1 3.83Å; F28-F62 HydrophobicContact CE2-CE1 4.25Å; F28-F62 AromaticContact CZ-CD1 3.6Å; F28-F62 HydrophobicContact CZ-CD1 3.6Å; F28-F62 AromaticContact CZ-CE1 3.58Å; F28-F62 HydrophobicContact CZ-CE1 3.58Å; F28-F62 HydrophobicContact CZ-CG 4.49Å; F28-F62 HydrophobicContact CZ-CZ 4.46Å; F28-G65 WeakPolarHBondContact CA-O 3.33Å; F28-G65 VanDerWaalsContact CD2-C 3.41Å
29	C	90.6	Very high	87.5	Confident	74 Å²	74	63.4 Å²	63.4	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-60.8	-46.5	179	-171.6	0	0	0	0	111.8	L25 M26 V32 A33	L25-C29 VanDerWaalsContact O-CB 3.24Å; L25-C29 WeakPolarHBondContact O-CB 3.3Å; L25-C29 PolarHBondContact O-N 3.25Å; M26-C29 PolarHBondContact O-N 3.04Å; C29-V32 PolarHBondContact O-N 2.97Å; C29-A33 VanDerWaalsContact O-CB 3.27Å; C29-A33 WeakPolarHBondContact O-CB 3.19Å; C29-A33 PolarHBondContact O-N 2.85Å
30	V	89.8	Confident	87.4	Confident	90 Å²	90	59.6 Å²	59.6	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-41.4	177.4	174.3	0	0	0	0	111.1	M26 F28 A33 T34	M26-V30 WeakPolarHBondContact O-CB 3.24Å; M26-V30 WeakPolarHBondContact O-CG2 3.33Å; M26-V30 PolarHBondContact O-N 3.34Å; F28-V30 PolarHBondContact O-N 3.14Å; V30-A33 PolarHBondContact O-N 2.84Å; V30-T34 VanDerWaalsContact O-CB 3.3Å; V30-T34 WeakPolarHBondContact O-CB 3.45Å; V30-T34 PolarHBondContact O-N 2.91Å; V30-T34 PolarHBondContact O-OG1 2.76Å
31	G	90.8	Very high	87.1	Confident	7 Å²	7	64 Å²	64	7%	0.072	36%	0.356	C	S	.	.	H	α-helix	trans	-65	-41.9	176.8	0	0	0	0	0	112.7	G27 F28 G35	G27-G31 PolarHBondContact O-N 3.33Å; F28-G31 PolarHBondContact O-N 3.02Å; G31-G35 PolarHBondContact O-N 3.18Å
32	V	89.1	Confident	86.5	Confident	35 Å²	35	60.7 Å²	60.7	21%	0.212	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-46.2	174.4	170.6	0	0	0	0	110.9	F28 C29 G35 A36 M61	F28-V32 HydrophobicContact CD1-CG2 4.07Å; F28-V32 HydrophobicContact CD2-CG2 4.27Å; F28-V32 HydrophobicContact CE1-CG2 3.69Å; F28-V32 HydrophobicContact CE2-CG2 3.88Å; F28-V32 HydrophobicContact CG-CG2 4.34Å; F28-V32 HydrophobicContact CZ-CG2 3.56Å; F28-V32 WeakPolarHBondContact O-CB 3.3Å; F28-V32 WeakPolarHBondContact O-CG2 3.33Å; F28-V32 PolarHBondContact O-N 3.11Å; C29-V32 PolarHBondContact O-N 2.97Å; V32-G35 CarbonylContact O-C 3.56Å; V32-G35 PolarHBondContact O-N 3.48Å; V32-A36 WeakPolarHBondContact O-CB 3.21Å; V32-A36 PolarHBondContact O-N 2.95Å; V32-M61 HydrophobicContact CG1-CB 4.27Å; V32-M61 HydrophobicContact CG1-CG 4.3Å; V32-M61 HydrophobicContact CG1-SD 3.81Å; V32-M61 HydrophobicContact CG2-CB 4.29Å
33	A	89.6	Confident	85.7	Confident	45 Å²	45	59.8 Å²	59.8	37%	0.372	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-44.2	179.8	0	0	0	0	0	111.9	C29 V30 A36 I37	C29-A33 VanDerWaalsContact O-CB 3.27Å; C29-A33 WeakPolarHBondContact O-CB 3.19Å; C29-A33 PolarHBondContact O-N 2.85Å; V30-A33 PolarHBondContact O-N 2.84Å; A33-A36 WeakPolarHBondContact O-CB 3.39Å; A33-A36 PolarHBondContact O-N 3.34Å; A33-I37 VanDerWaalsContact O-CG1 3.31Å; A33-I37 WeakPolarHBondContact O-CG1 3.34Å; A33-I37 PolarHBondContact O-N 2.74Å
34	T	87.8	Confident	84.9	Confident	70 Å²	70	64.3 Å²	64.3	43%	0.429	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-42	176.7	-50.2	0	0	0	0	110.7	V30 A36 I37 F38	V30-T34 VanDerWaalsContact O-CB 3.3Å; V30-T34 WeakPolarHBondContact O-CB 3.45Å; V30-T34 PolarHBondContact O-N 2.91Å; V30-T34 PolarHBondContact O-OG1 2.76Å; T34-A36 VanDerWaalsContact C-N 3.29Å; T34-A36 PolarHBondContact O-N 3.45Å; T34-I37 PolarHBondContact O-N 2.72Å; T34-F38 HydrophobicContact CG2-CD2 3.68Å; T34-F38 HydrophobicContact CG2-CE2 4.05Å; T34-F38 WeakPolarHBondContact O-CB 3.23Å; T34-F38 WeakPolarHBondContact O-CD2 3.24Å; T34-F38 PolarHBondContact O-N 3.3Å
35	G	87.2	Confident	84	Confident	25 Å²	25	69.6 Å²	69.6	26%	0.258	39%	0.389	S	S	.	.	I	π-helix	trans	-64	-32	173.8	0	0	0	0	0	113.3	G31 V32 G39 G40	G31-G35 PolarHBondContact O-N 3.18Å; V32-G35 CarbonylContact O-C 3.56Å; V32-G35 PolarHBondContact O-N 3.48Å; G35-G39 CarbonylContact O-C 3.57Å; G35-G39 WeakPolarHBondContact O-CA 3.16Å; G35-G39 PolarHBondContact O-N 2.95Å; G35-G40 PolarHBondContact O-N 2.82Å
36	A	85.2	Confident	83	Confident	34 Å²	34	74.4 Å²	74.4	28%	0.281	40%	0.401	S	S	.	.	I	π-helix	trans	-70.3	-47.2	175.3	0	0	0	0	0	112.5	V32 A33 T34 G40 F41 M61	V32-A36 WeakPolarHBondContact O-CB 3.21Å; V32-A36 PolarHBondContact O-N 2.95Å; A33-A36 WeakPolarHBondContact O-CB 3.39Å; A33-A36 PolarHBondContact O-N 3.34Å; T34-A36 VanDerWaalsContact C-N 3.29Å; T34-A36 PolarHBondContact O-N 3.45Å; A36-G40 WeakPolarHBondContact O-CA 3.39Å; A36-G40 PolarHBondContact O-N 3.36Å; A36-F41 PolarHBondContact O-N 3.48Å; A36-M61 HydrophobicContact CB-CE 3.26Å; A36-M61 HydrophobicContact CB-SD 4.17Å
37	I	85.1	Confident	81.8	Confident	113 Å²	113	72.7 Å²	72.7	58%	0.579	41%	0.407	S	S	*	.	I	π-helix	trans	-70.6	-52.7	-177.8	-64.9	165.8	0	0	0	109.6	A33 T34 F41	A33-I37 VanDerWaalsContact O-CG1 3.31Å; A33-I37 WeakPolarHBondContact O-CG1 3.34Å; A33-I37 PolarHBondContact O-N 2.74Å; T34-I37 PolarHBondContact O-N 2.72Å; I37-F41 WeakPolarHBondContact O-CB 3.31Å; I37-F41 PolarHBondContact O-N 2.89Å
38	F	83.8	Confident	80.5	Confident	145 Å²	145	75 Å²	75	64%	0.636	42%	0.417	S	S	*	.	I	π-helix	trans	-84.3	-44.7	-175.3	-68.3	-80.4	0	0	0	112.9	T34 S42	T34-F38 HydrophobicContact CG2-CD2 3.68Å; T34-F38 HydrophobicContact CG2-CE2 4.05Å; T34-F38 WeakPolarHBondContact O-CB 3.23Å; T34-F38 WeakPolarHBondContact O-CD2 3.24Å; T34-F38 PolarHBondContact O-N 3.3Å; F38-S42 VanDerWaalsContact O-CB 3.25Å; F38-S42 WeakPolarHBondContact O-CB 3.43Å; F38-S42 PolarHBondContact O-N 2.83Å; F38-S42 PolarHBondContact O-OG 3.29Å
39	G	79.1	Confident	79.5	Confident	31 Å²	31	83.6 Å²	83.6	32%	0.32	45%	0.448	S	S	.	.	I	π-helix	trans	-77.1	-46.3	178.7	0	0	0	0	0	112.4	G35 S42 C43	G35-G39 CarbonylContact O-C 3.57Å; G35-G39 WeakPolarHBondContact O-CA 3.16Å; G35-G39 PolarHBondContact O-N 2.95Å; G39-S42 PolarHBondContact O-N 3.41Å; G39-C43 WeakPolarHBondContact O-CB 3.48Å; G39-C43 PolarHBondContact O-N 2.84Å; G39-C43 PolarHBondContact O-SG 2.9Å
40	G	79.6	Confident	78.4	Confident	11 Å²	11	82.2 Å²	82.2	11%	0.113	45%	0.446	C	S	.	.	I	π-helix	trans	-65.2	-43.9	179.9	0	0	0	0	0	113.4	G35 A36 S42 C43 L44	G35-G40 PolarHBondContact O-N 2.82Å; A36-G40 WeakPolarHBondContact O-CA 3.39Å; A36-G40 PolarHBondContact O-N 3.36Å; G40-S42 VanDerWaalsContact C-N 3.35Å; G40-C43 PolarHBondContact O-N 3.47Å; G40-L44 WeakPolarHBondContact O-CB 3.22Å; G40-L44 PolarHBondContact O-N 2.81Å
41	F	77.6	Confident	77.7	Confident	128 Å²	128	87.9 Å²	87.9	56%	0.561	46%	0.458	S	S	*	.	H	α-helix	trans	-67.2	-35.9	176.4	-160.3	-96.8	0	0	0	112.2	A36 I37 L44 R45	A36-F41 PolarHBondContact O-N 3.48Å; I37-F41 WeakPolarHBondContact O-CB 3.31Å; I37-F41 PolarHBondContact O-N 2.89Å; F41-L44 PolarHBondContact O-N 2.89Å; F41-R45 HydrophobicContact CD1-CG 4.16Å; F41-R45 HydrophobicContact CE1-CG 4.07Å; F41-R45 VanDerWaalsContact O-CB 3.31Å; F41-R45 WeakPolarHBondContact O-CB 3.45Å; F41-R45 WeakPolarHBondContact O-CG 3.46Å; F41-R45 PolarHBondContact O-N 3.36Å
42	S	73.2	Confident	77	Confident	66 Å²	66	93.7 Å²	93.7	46%	0.462	48%	0.483	S	S	.	.	H	α-helix	trans	-66.6	-45.6	174.7	-60.7	0	0	0	0	111.9	F38 G39 G40 L44 R45 Y46	F38-S42 VanDerWaalsContact O-CB 3.25Å; F38-S42 WeakPolarHBondContact O-CB 3.43Å; F38-S42 PolarHBondContact O-N 2.83Å; F38-S42 PolarHBondContact O-OG 3.29Å; G39-S42 PolarHBondContact O-N 3.41Å; G40-S42 VanDerWaalsContact C-N 3.35Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-L44 PolarHBondContact O-N 3.17Å; S42-R45 PolarHBondContact O-N 2.75Å; S42-Y46 PolarHBondContact O-N 2.8Å
43	C	69.9	Low	76.4	Confident	37 Å²	37	92.9 Å²	92.9	25%	0.25	48%	0.478	C	S	.	.	H	α-helix	trans	-66.6	-35	176.1	-67.2	0	0	0	0	112.3	G39 G40 Y46 G47 L48 L53 V57	G39-C43 WeakPolarHBondContact O-CB 3.48Å; G39-C43 PolarHBondContact O-N 2.84Å; G39-C43 PolarHBondContact O-SG 2.9Å; G40-C43 PolarHBondContact O-N 3.47Å; C43-Y46 PolarHBondContact O-N 2.82Å; C43-G47 PolarHBondContact O-N 2.89Å; C43-L48 PolarHBondContact O-N 3.45Å; C43-L53 HydrophobicContact CB-CD1 3.32Å; C43-V57 HydrophobicContact CB-CG2 3.63Å
44	L	71.5	Confident	76	Confident	104 Å²	104	96.6 Å²	96.6	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-68.3	-40.1	175.8	-168.9	149.3	0	0	0	110.7	G40 F41 S42 Y46 G47 L53	G40-L44 WeakPolarHBondContact O-CB 3.22Å; G40-L44 PolarHBondContact O-N 2.81Å; F41-L44 PolarHBondContact O-N 2.89Å; S42-L44 VanDerWaalsContact C-N 3.34Å; S42-L44 PolarHBondContact O-N 3.17Å; L44-Y46 VanDerWaalsContact C-N 3.33Å; L44-G47 PolarHBondContact O-N 2.89Å; L44-G47 VanDerWaalsContact O-N 3.1Å; L44-L53 HydrophobicContact CB-CD1 4.29Å; L44-L53 HydrophobicContact CB-CD2 3.85Å; L44-L53 HydrophobicContact CD1-CD2 3.84Å; L44-L53 HydrophobicContact CG-CD2 3.96Å
45	R	70.6	Confident	75.8	Confident	197 Å²	197	98.3 Å²	98.3	74%	0.743	49%	0.493	S	S	*	.	H	α-helix	trans	-63.5	-35.2	171.6	-87.1	-76.3	-171.6	161.9	1.5	113.1	F41 S42 G47	F41-R45 HydrophobicContact CD1-CG 4.16Å; F41-R45 HydrophobicContact CE1-CG 4.07Å; F41-R45 VanDerWaalsContact O-CB 3.31Å; F41-R45 WeakPolarHBondContact O-CB 3.45Å; F41-R45 WeakPolarHBondContact O-CG 3.46Å; F41-R45 PolarHBondContact O-N 3.36Å; S42-R45 PolarHBondContact O-N 2.75Å; R45-G47 PolarHBondContact O-N 3.44Å
46	Y	70.6	Confident	75.6	Confident	201 Å²	201	100.2 Å²	100.2	79%	0.788	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-3.2	173.2	-101.5	-85.2	0	0	0	113.7	S42 C43 L44	S42-Y46 PolarHBondContact O-N 2.8Å; C43-Y46 PolarHBondContact O-N 2.82Å; L44-Y46 VanDerWaalsContact C-N 3.33Å
47	G	63.9	Low	75.6	Confident	56 Å²	56	99.3 Å²	99.3	58%	0.577	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	14.8	171.4	0	0	0	0	0	114.6	C43 L44 R45 R49	C43-G47 PolarHBondContact O-N 2.89Å; L44-G47 PolarHBondContact O-N 2.89Å; L44-G47 VanDerWaalsContact O-N 3.1Å; R45-G47 PolarHBondContact O-N 3.44Å; G47-R49 PolarHBondContact O-N 2.85Å
48	L	64.2	Low	75.7	Confident	58 Å²	58	94.9 Å²	94.9	30%	0.304	47%	0.473	S	S	.	.			trans	-64.3	121	170.1	-81.6	76.9	0	0	0	108.4	C43 L53 T56	C43-L48 PolarHBondContact O-N 3.45Å; L48-L53 HydrophobicContact CB-CB 3.96Å; L48-L53 HydrophobicContact CB-CD1 3.87Å; L48-L53 WeakPolarHBondContact O-CB 3.2Å; L48-T56 HydrophobicContact CD2-CG2 4.44Å
49	R	70.6	Confident	75.8	Confident	229 Å²	229	95 Å²	95	86%	0.864	47%	0.473	S	S	*	.			trans	-80.3	122.7	-175.3	-111.3	175.9	173	-176.1	-1.9	110.7	G47 R51 E52	G47-R49 PolarHBondContact O-N 2.85Å; R49-R51 PolarHBondContact O-N 2.88Å; R49-E52 PolarHBondContact O-N 3.36Å; R49-E52 VanDerWaalsContact O-N 3.14Å
50	G	67.5	Low	76.1	Confident	45 Å²	45	95.4 Å²	95.4	46%	0.464	48%	0.477	S	S	.	.	H	α-helix	trans	40.7	-89	160.4	0	0	0	0	0	116.1	I54	G50-I54 WeakPolarHBondContact O-CD1 3.45Å; G50-I54 VanDerWaalsContact O-CG1 3.23Å; G50-I54 WeakPolarHBondContact O-CG1 3.27Å; G50-I54 PolarHBondContact O-N 2.89Å
51	R	74.1	Confident	76.5	Confident	208 Å²	208	96.9 Å²	96.9	79%	0.785	48%	0.482	S	S	*	.	H	α-helix	trans	-68.5	-41.1	-171.9	-145.6	169.5	74.9	175.7	4.5	113.1	R49 Q55	R49-R51 PolarHBondContact O-N 2.88Å; R51-Q55 WeakPolarHBondContact O-CG 3.13Å; R51-Q55 PolarHBondContact O-N 3.4Å; R51-Q55 VanDerWaalsContact O-N 3.11Å
52	E	76.3	Confident	77	Confident	129 Å²	129	97.8 Å²	97.8	60%	0.603	49%	0.486	S	S	*	.	H	α-helix	trans	-78.5	-30.8	-179.2	-161.7	150.3	91.7	0	0	111.9	R49 Q55 T56	R49-E52 PolarHBondContact O-N 3.36Å; R49-E52 VanDerWaalsContact O-N 3.14Å; E52-Q55 PolarHBondContact O-N 3.48Å; E52-T56 VanDerWaalsContact O-CB 3.3Å; E52-T56 WeakPolarHBondContact O-CB 3.39Å; E52-T56 PolarHBondContact O-N 3.15Å; E52-T56 PolarHBondContact O-OG1 2.92Å
53	L	77.7	Confident	77.8	Confident	19 Å²	19	101.7 Å²	101.7	10%	0.099	50%	0.497	C	S	.	.	H	α-helix	trans	-59.7	-54.2	169	-179.4	73.3	0	0	0	110.6	C43 L44 L48 Q55 T56 V57	C43-L53 HydrophobicContact CB-CD1 3.32Å; L44-L53 HydrophobicContact CB-CD1 4.29Å; L44-L53 HydrophobicContact CB-CD2 3.85Å; L44-L53 HydrophobicContact CD1-CD2 3.84Å; L44-L53 HydrophobicContact CG-CD2 3.96Å; L48-L53 HydrophobicContact CB-CB 3.96Å; L48-L53 HydrophobicContact CB-CD1 3.87Å; L48-L53 WeakPolarHBondContact O-CB 3.2Å; L53-Q55 VanDerWaalsContact C-N 3.27Å; L53-Q55 PolarHBondContact O-N 2.87Å; L53-T56 PolarHBondContact O-N 2.77Å; L53-V57 HydrophobicContact CD1-CG2 3.65Å; L53-V57 HydrophobicContact CG-CG2 3.99Å; L53-V57 WeakPolarHBondContact O-CB 3.35Å; L53-V57 WeakPolarHBondContact O-CG2 3.12Å; L53-V57 PolarHBondContact O-N 2.99Å
54	I	81.3	Confident	78.7	Confident	122 Å²	122	101.1 Å²	101.1	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-62.4	-37.5	-178.7	-67.1	163.8	0	0	0	110.8	G50 G58	G50-I54 WeakPolarHBondContact O-CD1 3.45Å; G50-I54 VanDerWaalsContact O-CG1 3.23Å; G50-I54 WeakPolarHBondContact O-CG1 3.27Å; G50-I54 PolarHBondContact O-N 2.89Å; I54-G58 VanDerWaalsContact O-CA 3.23Å; I54-G58 WeakPolarHBondContact O-CA 3.21Å; I54-G58 PolarHBondContact O-N 3.25Å
55	Q	83.5	Confident	79.7	Confident	107 Å²	107	96.2 Å²	96.2	50%	0.5	47%	0.472	S	S	.	.	H	α-helix	trans	-67	-45.2	176	-75	-177.4	-7.1	0	0	112.5	R51 E52 L53 K59	R51-Q55 WeakPolarHBondContact O-CG 3.13Å; R51-Q55 PolarHBondContact O-N 3.4Å; R51-Q55 VanDerWaalsContact O-N 3.11Å; E52-Q55 PolarHBondContact O-N 3.48Å; L53-Q55 VanDerWaalsContact C-N 3.27Å; L53-Q55 PolarHBondContact O-N 2.87Å; Q55-K59 WeakPolarHBondContact O-CB 3.44Å; Q55-K59 WeakPolarHBondContact O-CG 2.89Å; Q55-K59 PolarHBondContact O-N 2.86Å
56	T	82.7	Confident	80.7	Confident	65 Å²	65	87.9 Å²	87.9	40%	0.399	45%	0.447	S	S	.	.	H	α-helix	trans	-70.4	-48.9	-178.9	-57.2	0	0	0	0	111.3	L48 E52 L53 G58 K59 G60	L48-T56 HydrophobicContact CD2-CG2 4.44Å; E52-T56 VanDerWaalsContact O-CB 3.3Å; E52-T56 WeakPolarHBondContact O-CB 3.39Å; E52-T56 PolarHBondContact O-N 3.15Å; E52-T56 PolarHBondContact O-OG1 2.92Å; L53-T56 PolarHBondContact O-N 2.77Å; T56-G58 VanDerWaalsContact C-N 3.35Å; T56-K59 PolarHBondContact O-N 3.14Å; T56-G60 PolarHBondContact O-N 3.38Å
57	V	84.4	Confident	81.6	Confident	15 Å²	15	81.8 Å²	81.8	9%	0.091	43%	0.431	C	S	.	.	H	α-helix	trans	-64.4	-42.9	177	179	0	0	0	0	109.7	C43 L53 K59 G60 M61	C43-V57 HydrophobicContact CB-CG2 3.63Å; L53-V57 HydrophobicContact CD1-CG2 3.65Å; L53-V57 HydrophobicContact CG-CG2 3.99Å; L53-V57 WeakPolarHBondContact O-CB 3.35Å; L53-V57 WeakPolarHBondContact O-CG2 3.12Å; L53-V57 PolarHBondContact O-N 2.99Å; V57-K59 PolarHBondContact O-N 3.48Å; V57-G60 CarbonylContact O-C 3.4Å; V57-G60 PolarHBondContact O-N 2.99Å; V57-M61 HydrophobicContact CB-CE 4.46Å; V57-M61 HydrophobicContact CG1-CE 3.17Å; V57-M61 HydrophobicContact CG1-CG 4.05Å; V57-M61 HydrophobicContact CG1-SD 4.17Å; V57-M61 WeakPolarHBondContact O-CB 2.88Å; V57-M61 VanDerWaalsContact O-CG 3.24Å; V57-M61 WeakPolarHBondContact O-CG 3.42Å; V57-M61 PolarHBondContact O-N 2.81Å
58	G	86.9	Confident	82.8	Confident	20 Å²	20	85.4 Å²	85.4	21%	0.206	43%	0.431	C	S	.	.	H	α-helix	trans	-59	-46.7	175.7	0	0	0	0	0	112	I54 T56 G60 M61 F62	I54-G58 VanDerWaalsContact O-CA 3.23Å; I54-G58 WeakPolarHBondContact O-CA 3.21Å; I54-G58 PolarHBondContact O-N 3.25Å; T56-G58 VanDerWaalsContact C-N 3.35Å; G58-G60 VanDerWaalsContact C-N 3.35Å; G58-G60 PolarHBondContact O-N 2.84Å; G58-M61 PolarHBondContact O-N 3.14Å; G58-F62 WeakPolarHBondContact O-CB 3.18Å; G58-F62 VanDerWaalsContact O-CD2 3.27Å; G58-F62 WeakPolarHBondContact O-CD2 3.38Å; G58-F62 PolarHBondContact O-N 3.47Å
59	K	86	Confident	84.2	Confident	147 Å²	147	82.6 Å²	82.6	64%	0.639	42%	0.417	S	S	*	.	H	α-helix	trans	-57.4	-46.9	172.8	-75.4	170.9	-176.5	179.7	0	111.7	Q55 T56 V57 F62 Q63	Q55-K59 WeakPolarHBondContact O-CB 3.44Å; Q55-K59 WeakPolarHBondContact O-CG 2.89Å; Q55-K59 PolarHBondContact O-N 2.86Å; T56-K59 PolarHBondContact O-N 3.14Å; V57-K59 PolarHBondContact O-N 3.48Å; K59-F62 PolarHBondContact O-N 3.19Å; K59-Q63 VanDerWaalsContact O-CB 3.22Å; K59-Q63 WeakPolarHBondContact O-CB 3.42Å; K59-Q63 PolarHBondContact O-N 2.82Å
60	G	87	Confident	85.2	Confident	39 Å²	39	76.8 Å²	76.8	40%	0.402	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-39.2	177.7	0	0	0	0	0	113.5	T56 V57 G58 G64	T56-G60 PolarHBondContact O-N 3.38Å; V57-G60 CarbonylContact O-C 3.4Å; V57-G60 PolarHBondContact O-N 2.99Å; G58-G60 VanDerWaalsContact C-N 3.35Å; G58-G60 PolarHBondContact O-N 2.84Å; G60-G64 PolarHBondContact O-N 2.82Å
61	M	88.2	Confident	86.4	Confident	43 Å²	43	81.3 Å²	81.3	21%	0.212	41%	0.407	C	S	.	.	H	α-helix	trans	-65.9	-45.5	175.9	-76.7	-178.8	-164.1	0	0	111.2	V32 A36 V57 G58 G65	V32-M61 HydrophobicContact CG1-CB 4.27Å; V32-M61 HydrophobicContact CG1-CG 4.3Å; V32-M61 HydrophobicContact CG1-SD 3.81Å; V32-M61 HydrophobicContact CG2-CB 4.29Å; A36-M61 HydrophobicContact CB-CE 3.26Å; A36-M61 HydrophobicContact CB-SD 4.17Å; V57-M61 HydrophobicContact CB-CE 4.46Å; V57-M61 HydrophobicContact CG1-CE 3.17Å; V57-M61 HydrophobicContact CG1-CG 4.05Å; V57-M61 HydrophobicContact CG1-SD 4.17Å; V57-M61 WeakPolarHBondContact O-CB 2.88Å; V57-M61 VanDerWaalsContact O-CG 3.24Å; V57-M61 WeakPolarHBondContact O-CG 3.42Å; V57-M61 PolarHBondContact O-N 2.81Å; G58-M61 PolarHBondContact O-N 3.14Å; M61-G65 VanDerWaalsContact O-CA 3.31Å; M61-G65 WeakPolarHBondContact O-CA 3.36Å; M61-G65 PolarHBondContact O-N 3.31Å
62	F	87.8	Confident	87	Confident	146 Å²	146	77 Å²	77	64%	0.64	40%	0.398	S	S	*	.	H	α-helix	trans	-67	-41.5	177.5	-89	-74	0	0	0	111.7	F28 G58 K59 G66	F28-F62 AromaticContact CE2-CD1 3.83Å; F28-F62 HydrophobicContact CE2-CD1 3.83Å; F28-F62 HydrophobicContact CE2-CE1 4.25Å; F28-F62 AromaticContact CZ-CD1 3.6Å; F28-F62 HydrophobicContact CZ-CD1 3.6Å; F28-F62 AromaticContact CZ-CE1 3.58Å; F28-F62 HydrophobicContact CZ-CE1 3.58Å; F28-F62 HydrophobicContact CZ-CG 4.49Å; F28-F62 HydrophobicContact CZ-CZ 4.46Å; G58-F62 WeakPolarHBondContact O-CB 3.18Å; G58-F62 VanDerWaalsContact O-CD2 3.27Å; G58-F62 WeakPolarHBondContact O-CD2 3.38Å; G58-F62 PolarHBondContact O-N 3.47Å; K59-F62 PolarHBondContact O-N 3.19Å; F62-G66 WeakPolarHBondContact O-CA 3.48Å; F62-G66 PolarHBondContact O-N 2.93Å
63	Q	89.2	Confident	87.6	Confident	148 Å²	148	71.1 Å²	71.1	69%	0.692	37%	0.371	S	S	*	.	H	α-helix	trans	-65.4	-51.7	177.1	-174.5	175.4	9.1	0	0	111.2	K59 G66 T67	K59-Q63 VanDerWaalsContact O-CB 3.22Å; K59-Q63 WeakPolarHBondContact O-CB 3.42Å; K59-Q63 PolarHBondContact O-N 2.82Å; Q63-G66 PolarHBondContact O-N 2.91Å; Q63-T67 PolarHBondContact O-N 3.35Å; Q63-T67 VanDerWaalsContact O-N 3.14Å; Q63-T67 PolarHBondContact O-OG1 3.48Å
64	G	89.1	Confident	88.2	Confident	26 Å²	26	73.5 Å²	73.5	27%	0.268	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-49.5	179	0	0	0	0	0	112.3	G60 G66 T67 F68	G60-G64 PolarHBondContact O-N 2.82Å; G64-G66 VanDerWaalsContact C-N 3.28Å; G64-G66 PolarHBondContact O-N 3.49Å; G64-T67 PolarHBondContact O-N 2.82Å; G64-T67 VanDerWaalsContact O-N 3.17Å; G64-F68 WeakPolarHBondContact O-CD2 3.46Å; G64-F68 PolarHBondContact O-N 3.32Å
65	G	91.8	Very high	88.4	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-38.2	176.8	0	0	0	0	0	112.5	F28 M61 G69	F28-G65 WeakPolarHBondContact CA-O 3.33Å; F28-G65 VanDerWaalsContact CD2-C 3.41Å; M61-G65 VanDerWaalsContact O-CA 3.31Å; M61-G65 WeakPolarHBondContact O-CA 3.36Å; M61-G65 PolarHBondContact O-N 3.31Å; G65-G69 WeakPolarHBondContact O-CA 3.34Å; G65-G69 PolarHBondContact O-N 2.91Å
66	G	91.7	Very high	88.4	Confident	23 Å²	23	66.1 Å²	66.1	24%	0.237	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-45.9	174.4	0	0	0	0	0	112.2	F62 Q63 G64 M70	F62-G66 WeakPolarHBondContact O-CA 3.48Å; F62-G66 PolarHBondContact O-N 2.93Å; Q63-G66 PolarHBondContact O-N 2.91Å; G64-G66 VanDerWaalsContact C-N 3.28Å; G64-G66 PolarHBondContact O-N 3.49Å; G66-M70 WeakPolarHBondContact O-CB 3.35Å; G66-M70 PolarHBondContact O-N 3.37Å
67	T	90.9	Very high	88.4	Confident	73 Å²	73	65.4 Å²	65.4	45%	0.448	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-47.3	177.4	-58	0	0	0	0	112.3	Q63 G64 M70 F71	Q63-T67 PolarHBondContact O-N 3.35Å; Q63-T67 VanDerWaalsContact O-N 3.14Å; Q63-T67 PolarHBondContact O-OG1 3.48Å; G64-T67 PolarHBondContact O-N 2.82Å; G64-T67 VanDerWaalsContact O-N 3.17Å; T67-M70 PolarHBondContact O-N 3.33Å; T67-F71 HydrophobicContact CG2-CD2 3.74Å; T67-F71 HydrophobicContact CG2-CE2 3.35Å; T67-F71 HydrophobicContact CG2-CZ 4.4Å; T67-F71 WeakPolarHBondContact O-CD2 3.4Å; T67-F71 PolarHBondContact O-N 2.89Å
68	F	88.9	Confident	88.5	Confident	131 Å²	131	71.2 Å²	71.2	58%	0.575	39%	0.39	S	S	*	.	H	α-helix	trans	-62.7	-43.2	176.6	-80.1	-68.9	0	0	0	112.2	G64 F71 M72	G64-F68 WeakPolarHBondContact O-CD2 3.46Å; G64-F68 PolarHBondContact O-N 3.32Å; F68-F71 PolarHBondContact O-N 3.06Å; F68-M72 PolarHBondContact O-N 2.84Å; F68-M72 VanDerWaalsContact O-N 3.14Å
69	G	92.6	Very high	88	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-59.4	-45.3	172.9	0	0	0	0	0	111.8	F24 G65 M72 A73	F24-G69 WeakPolarHBondContact CD2-O 3.26Å; G65-G69 WeakPolarHBondContact O-CA 3.34Å; G65-G69 PolarHBondContact O-N 2.91Å; G69-M72 PolarHBondContact O-N 3.32Å; G69-A73 WeakPolarHBondContact O-CB 3.44Å; G69-A73 PolarHBondContact O-N 2.73Å
70	M	92.2	Very high	87	Confident	106 Å²	106	77.4 Å²	77.4	52%	0.522	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-42.3	-180	-171.8	64.1	169.2	0	0	112.2	G66 T67 A73 I74	G66-M70 WeakPolarHBondContact O-CB 3.35Å; G66-M70 PolarHBondContact O-N 3.37Å; T67-M70 PolarHBondContact O-N 3.33Å; M70-A73 WeakPolarHBondContact O-CB 3.47Å; M70-A73 PolarHBondContact O-N 3.49Å; M70-I74 HydrophobicContact CE-CD1 4Å; M70-I74 HydrophobicContact CE-CG1 4.32Å; M70-I74 HydrophobicContact CG-CD1 3.78Å; M70-I74 HydrophobicContact CG-CG1 4.44Å; M70-I74 WeakPolarHBondContact O-CB 3.28Å; M70-I74 WeakPolarHBondContact O-CD1 3.48Å; M70-I74 VanDerWaalsContact O-CG1 3.26Å; M70-I74 WeakPolarHBondContact O-CG1 3.48Å; M70-I74 PolarHBondContact O-N 2.98Å; M70-I74 HydrophobicContact SD-CD1 4.28Å; M70-I74 HydrophobicContact SD-CG1 4.44Å
71	F	91.4	Very high	87	Confident	140 Å²	140	79.4 Å²	79.4	61%	0.614	42%	0.415	S	S	*	.	H	α-helix	trans	-64.6	-42.3	176.7	-77.3	-59.9	0	0	0	112.7	T67 F68 G75	T67-F71 HydrophobicContact CG2-CD2 3.74Å; T67-F71 HydrophobicContact CG2-CE2 3.35Å; T67-F71 HydrophobicContact CG2-CZ 4.4Å; T67-F71 WeakPolarHBondContact O-CD2 3.4Å; T67-F71 PolarHBondContact O-N 2.89Å; F68-F71 PolarHBondContact O-N 3.06Å; F71-G75 PolarHBondContact O-N 3.33Å
72	M	87.5	Confident	86.9	Confident	118 Å²	118	81.3 Å²	81.3	58%	0.581	43%	0.426	S	S	*	.	H	α-helix	trans	-65.3	-41.5	174.3	-74.8	-68.8	150.9	0	0	111.4	F68 G69 G75 T76	F68-M72 PolarHBondContact O-N 2.84Å; F68-M72 VanDerWaalsContact O-N 3.14Å; G69-M72 PolarHBondContact O-N 3.32Å; M72-G75 PolarHBondContact O-N 3.37Å; M72-T76 WeakPolarHBondContact O-CG2 3.03Å; M72-T76 PolarHBondContact O-N 3.33Å; M72-T76 PolarHBondContact O-OG1 2.8Å
73	A	88.5	Confident	86.9	Confident	6 Å²	6	77.7 Å²	77.7	5%	0.05	41%	0.414	C	S	.	.	H	α-helix	trans	-59.7	-49.7	176.1	0	0	0	0	0	111.5	V20 F24 G69 M70 G75 T76 A77	V20-A73 HydrophobicContact CG1-CB 3.9Å; F24-A73 HydrophobicContact CB-CB 3.93Å; F24-A73 HydrophobicContact CD2-CB 4.16Å; G69-A73 WeakPolarHBondContact O-CB 3.44Å; G69-A73 PolarHBondContact O-N 2.73Å; M70-A73 WeakPolarHBondContact O-CB 3.47Å; M70-A73 PolarHBondContact O-N 3.49Å; A73-G75 PolarHBondContact O-N 3.2Å; A73-T76 PolarHBondContact O-N 3.48Å; A73-T76 PolarHBondContact O-OG1 3.4Å; A73-A77 WeakPolarHBondContact O-CB 3.31Å; A73-A77 PolarHBondContact O-N 2.69Å
74	I	89.7	Confident	86.8	Confident	69 Å²	69	73.5 Å²	73.5	35%	0.354	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-44.3	176.3	-69.6	161.2	0	0	0	110.9	M70 T76 A77 I78	M70-I74 HydrophobicContact CE-CD1 4Å; M70-I74 HydrophobicContact CE-CG1 4.32Å; M70-I74 HydrophobicContact CG-CD1 3.78Å; M70-I74 HydrophobicContact CG-CG1 4.44Å; M70-I74 WeakPolarHBondContact O-CB 3.28Å; M70-I74 WeakPolarHBondContact O-CD1 3.48Å; M70-I74 VanDerWaalsContact O-CG1 3.26Å; M70-I74 WeakPolarHBondContact O-CG1 3.48Å; M70-I74 PolarHBondContact O-N 2.98Å; M70-I74 HydrophobicContact SD-CD1 4.28Å; M70-I74 HydrophobicContact SD-CG1 4.44Å; I74-T76 VanDerWaalsContact C-N 3.27Å; I74-T76 PolarHBondContact O-N 3.36Å; I74-A77 PolarHBondContact O-N 3.24Å; I74-I78 HydrophobicContact CG2-CD1 3.6Å; I74-I78 HydrophobicContact CG2-CG1 4.21Å; I74-I78 WeakPolarHBondContact O-CG1 3.34Å; I74-I78 PolarHBondContact O-N 2.92Å
75	G	86.7	Confident	86.6	Confident	43 Å²	43	76.5 Å²	76.5	44%	0.443	41%	0.406	S	S	.	.	H	α-helix	trans	-59	-39	177	0	0	0	0	0	112.5	F71 M72 A73 R79	F71-G75 PolarHBondContact O-N 3.33Å; M72-G75 PolarHBondContact O-N 3.37Å; A73-G75 PolarHBondContact O-N 3.2Å; G75-R79 WeakPolarHBondContact O-CB 3.27Å; G75-R79 PolarHBondContact O-N 3.22Å
76	T	82.2	Confident	86.3	Confident	31 Å²	31	81.6 Å²	81.6	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-73.9	-34.3	172.6	57	0	0	0	0	113.1	V20 M72 A73 I74 R79 C80	V20-T76 WeakPolarHBondContact CA-OG1 3.43Å; M72-T76 WeakPolarHBondContact O-CG2 3.03Å; M72-T76 PolarHBondContact O-N 3.33Å; M72-T76 PolarHBondContact O-OG1 2.8Å; A73-T76 PolarHBondContact O-N 3.48Å; A73-T76 PolarHBondContact O-OG1 3.4Å; I74-T76 VanDerWaalsContact C-N 3.27Å; I74-T76 PolarHBondContact O-N 3.36Å; T76-R79 PolarHBondContact O-N 2.92Å; T76-C80 VanDerWaalsContact O-CB 3.31Å; T76-C80 WeakPolarHBondContact O-CB 3.4Å; T76-C80 PolarHBondContact O-N 3.42Å; T76-C80 PolarHBondContact O-SG 2.83Å; T76-C80 VanDerWaalsContact O-SG 3.36Å
77	A	83.8	Confident	85.9	Confident	49 Å²	49	85.8 Å²	85.8	41%	0.405	45%	0.447	S	S	.	.	H	α-helix	trans	-67.4	-41	179.7	0	0	0	0	0	111.9	V20 A73 I74 R79	V20-A77 HydrophobicContact CG2-CB 3.65Å; A73-A77 WeakPolarHBondContact O-CB 3.31Å; A73-A77 PolarHBondContact O-N 2.69Å; I74-A77 PolarHBondContact O-N 3.24Å; A77-R79 VanDerWaalsContact C-N 3.29Å
78	I	85.5	Confident	85.5	Confident	138 Å²	138	86.8 Å²	86.8	71%	0.708	45%	0.447	S	S	*	.	H	α-helix	trans	-70.2	-29.5	176.7	-63.9	169.1	0	0	0	111.2	I74	I74-I78 HydrophobicContact CG2-CD1 3.6Å; I74-I78 HydrophobicContact CG2-CG1 4.21Å; I74-I78 WeakPolarHBondContact O-CG1 3.34Å; I74-I78 PolarHBondContact O-N 2.92Å
79	R	78	Confident	85.2	Confident	214 Å²	214	83.1 Å²	83.1	81%	0.808	44%	0.436	S	S	*	.	H	α-helix	trans	-90.5	-9.1	-178.4	-171.9	156.2	-171.9	77.5	1.6	114	G75 T76 A77	G75-R79 WeakPolarHBondContact O-CB 3.27Å; G75-R79 PolarHBondContact O-N 3.22Å; T76-R79 PolarHBondContact O-N 2.92Å; A77-R79 VanDerWaalsContact C-N 3.29Å
80	C	64.3	Low	84.5	Confident	83 Å²	83	90.6 Å²	90.6	56%	0.561	48%	0.476	S	S	*	.			trans	-78.6	0	175.3	-98.3	0	0	0	0	110.3	C16 K19 T76	C16-C80 WeakPolarHBondContact CA-SG 3.42Å; C16-C80 HydrophobicContact CB-CB 3.52Å; C16-C80 VanDerWaalsContact CB-SG 3.56Å; C16-C80 VanDerWaalsContact SG-CB 3.53Å; K19-C80 VanDerWaalsContact CD-SG 3.57Å; T76-C80 VanDerWaalsContact O-CB 3.31Å; T76-C80 WeakPolarHBondContact O-CB 3.4Å; T76-C80 PolarHBondContact O-N 3.42Å; T76-C80 PolarHBondContact O-SG 2.83Å; T76-C80 VanDerWaalsContact O-SG 3.36Å

Retrieved 80 of 80 residues in 16.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).