A0A044V4I5_ONCVO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A044V4I5, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 93 aa.

						>A0A044V4I5_ONCVO|A0A044V4I5
MNIREAQTAMDGVIHSTQDETLSLQKDNIEVTFYLSLKLEQLLINSHYTLKCWKNLNYRTSEVDGLNLLMFKSQHCPQQCERLSDPNLKCSST
					

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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	40.6	Very low	45.8	Very low	233 Å²	233	126.5 Å²	126.5	100%	1.148	66%	0.658	S	S	*	*				0	116.8	0	-158.9	169.4	75.5	0	0	106.9
2	N	42	Very low	46.1	Very low	122 Å²	122	119.8 Å²	119.8	65%	0.652	64%	0.643	S	S	*	*			trans	-97.3	130.9	-160.4	-138.4	-20.4	0	0	0	109.4	R4 E5	N2-R4 PolarHBondContact O-N 3.32Å; N2-E5 PolarHBondContact O-N 3.32Å
3	I	48.4	Very low	46.2	Very low	126 Å²	126	117.3 Å²	117.3	65%	0.646	63%	0.634	S	S	*	*	H	α-helix	trans	-50.9	-30.3	-172.7	-66.3	170	0	0	0	112.5	E5 A6 Q7	I3-E5 VanDerWaalsContact C-N 3.33Å; I3-E5 PolarHBondContact O-N 3.21Å; I3-A6 PolarHBondContact O-N 3.42Å; I3-Q7 HydrophobicContact CG2-CG 4.36Å; I3-Q7 PolarHBondContact O-N 2.88Å; I3-Q7 VanDerWaalsContact O-N 3.1Å
4	R	46.9	Very low	46	Very low	197 Å²	197	114.6 Å²	114.6	74%	0.743	62%	0.618	S	S	*	*	H	α-helix	trans	-62.3	-32	178.1	-168.3	172.9	162.7	-177.8	-5.4	114.2	N2 T8	N2-R4 PolarHBondContact O-N 3.32Å; R4-T8 WeakPolarHBondContact O-CB 3.45Å; R4-T8 PolarHBondContact O-N 2.59Å; R4-T8 VanDerWaalsContact O-N 3.1Å; R4-T8 PolarHBondContact O-OG1 3.43Å
5	E	49.5	Very low	45.9	Very low	134 Å²	134	116.9 Å²	116.9	63%	0.626	62%	0.623	S	S	*	*	H	α-helix	trans	-71.6	-38.4	175.7	-72.1	175.1	161.9	0	0	111.4	N2 I3 A9	N2-E5 PolarHBondContact O-N 3.32Å; I3-E5 VanDerWaalsContact C-N 3.33Å; I3-E5 PolarHBondContact O-N 3.21Å; E5-A9 PolarHBondContact O-N 3.24Å
6	A	50.9	Low	45.6	Very low	65 Å²	65	115.5 Å²	115.5	54%	0.537	63%	0.625	S	S	.	*	H	α-helix	trans	-67.4	-38.2	176.7	0	0	0	0	0	112.2	I3 M10	I3-A6 PolarHBondContact O-N 3.42Å; A6-M10 PolarHBondContact O-N 3.2Å
7	Q	39.2	Very low	45.3	Very low	113 Å²	113	111.6 Å²	111.6	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-70.2	-40.4	177.2	-72.6	176	-30.5	0	0	112.3	I3 A9 M10 D11	I3-Q7 HydrophobicContact CG2-CG 4.36Å; I3-Q7 PolarHBondContact O-N 2.88Å; I3-Q7 VanDerWaalsContact O-N 3.1Å; Q7-A9 VanDerWaalsContact C-N 3.29Å; Q7-A9 PolarHBondContact O-N 3.46Å; Q7-M10 PolarHBondContact O-N 3.17Å; Q7-M10 VanDerWaalsContact O-N 3.11Å; Q7-D11 PolarHBondContact O-N 3.36Å
8	T	51.4	Low	45	Very low	95 Å²	95	111.1 Å²	111.1	58%	0.583	60%	0.599	S	S	*	*	H	α-helix	trans	-64.7	-35	177.9	-50.6	0	0	0	0	111.6	R4 G12	R4-T8 WeakPolarHBondContact O-CB 3.45Å; R4-T8 PolarHBondContact O-N 2.59Å; R4-T8 VanDerWaalsContact O-N 3.1Å; R4-T8 PolarHBondContact O-OG1 3.43Å; T8-G12 PolarHBondContact O-N 3.18Å
9	A	52	Low	44.8	Very low	66 Å²	66	113.5 Å²	113.5	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-67.9	-34.2	173.4	0	0	0	0	0	112.8	E5 Q7 V13	E5-A9 PolarHBondContact O-N 3.24Å; Q7-A9 VanDerWaalsContact C-N 3.29Å; Q7-A9 PolarHBondContact O-N 3.46Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å
10	M	42.9	Very low	44.7	Very low	138 Å²	138	115.1 Å²	115.1	68%	0.68	62%	0.615	S	S	*	*	H	α-helix	trans	-71.7	-44.1	175.3	-100.2	177.7	178	0	0	112.5	A6 Q7 G12 V13 I14	A6-M10 PolarHBondContact O-N 3.2Å; Q7-M10 PolarHBondContact O-N 3.17Å; Q7-M10 VanDerWaalsContact O-N 3.11Å; M10-G12 PolarHBondContact O-N 3.1Å; M10-V13 PolarHBondContact O-N 2.73Å; M10-I14 WeakPolarHBondContact O-CG1 3.13Å; M10-I14 PolarHBondContact O-N 3.31Å; M10-I14 VanDerWaalsContact O-N 3.14Å
11	D	39.8	Very low	44.6	Very low	102 Å²	102	111.9 Å²	111.9	55%	0.545	60%	0.6	S	S	.	*	H	α-helix	trans	-67.3	-36.2	-178.5	-76.6	-18.9	0	0	0	112.5	Q7 V13 I14 H15	Q7-D11 PolarHBondContact O-N 3.36Å; D11-V13 VanDerWaalsContact C-N 3.27Å; D11-V13 PolarHBondContact O-N 3.24Å; D11-I14 PolarHBondContact O-N 3.38Å; D11-H15 PolarHBondContact O-N 3.15Å
12	G	49.3	Very low	44.5	Very low	47 Å²	47	106.9 Å²	106.9	49%	0.485	58%	0.577	S	S	.	*	H	α-helix	trans	-63.2	-31.4	175.2	0	0	0	0	0	113.7	T8 M10 S16	T8-G12 PolarHBondContact O-N 3.18Å; M10-G12 PolarHBondContact O-N 3.1Å; G12-S16 PolarHBondContact O-OG 3.36Å
13	V	48.2	Very low	44.3	Very low	87 Å²	87	104.9 Å²	104.9	53%	0.527	57%	0.573	S	S	.	*	H	α-helix	trans	-74.6	-39	173.9	176.1	0	0	0	0	110.4	A9 M10 D11 H15 S16 T17	A9-V13 WeakPolarHBondContact O-CG2 3.49Å; M10-V13 PolarHBondContact O-N 2.73Å; D11-V13 VanDerWaalsContact C-N 3.27Å; D11-V13 PolarHBondContact O-N 3.24Å; V13-H15 PolarHBondContact O-N 3.38Å; V13-S16 PolarHBondContact O-OG 3.4Å; V13-T17 HydrophobicContact CG1-CG2 4.32Å; V13-T17 WeakPolarHBondContact O-CB 3.38Å; V13-T17 PolarHBondContact O-N 3.45Å; V13-T17 PolarHBondContact O-OG1 2.91Å
14	I	43.7	Very low	43.7	Very low	79 Å²	79	103.4 Å²	103.4	41%	0.405	57%	0.566	S	S	.	*	H	α-helix	trans	-67.2	-35.4	-175.7	-67.3	165.3	0	0	0	112.4	M10 D11 Q18	M10-I14 WeakPolarHBondContact O-CG1 3.13Å; M10-I14 PolarHBondContact O-N 3.31Å; M10-I14 VanDerWaalsContact O-N 3.14Å; D11-I14 PolarHBondContact O-N 3.38Å; I14-Q18 VanDerWaalsContact O-CG 3.27Å; I14-Q18 WeakPolarHBondContact O-CG 3.27Å
15	H	43.4	Very low	43	Very low	150 Å²	150	99.5 Å²	99.5	69%	0.694	56%	0.556	S	S	*	*	H	α-helix	trans	-85.4	-22.9	-178.4	-76.7	14.1	0	0	0	114.7	D11 V13	D11-H15 PolarHBondContact O-N 3.15Å; V13-H15 PolarHBondContact O-N 3.38Å
16	S	41.5	Very low	42.3	Very low	94 Å²	94	100.6 Å²	100.6	66%	0.657	56%	0.558	S	S	*	*	H	α-helix	trans	-85.7	-20	175.5	51.7	0	0	0	0	113.2	G12 V13	G12-S16 PolarHBondContact O-OG 3.36Å; V13-S16 PolarHBondContact O-OG 3.4Å
17	T	41.4	Very low	41.6	Very low	49 Å²	49	101.8 Å²	101.8	30%	0.301	56%	0.556	S	S	.	*	S	Bend	trans	-100.6	-3.2	-178.3	53.5	0	0	0	0	114.7	V13 D19 E20 T21	V13-T17 HydrophobicContact CG1-CG2 4.32Å; V13-T17 WeakPolarHBondContact O-CB 3.38Å; V13-T17 PolarHBondContact O-N 3.45Å; V13-T17 PolarHBondContact O-OG1 2.91Å; T17-D19 VanDerWaalsContact C-N 3.34Å; T17-D19 PolarHBondContact O-N 2.64Å; T17-E20 PolarHBondContact O-N 3.14Å; T17-T21 WeakPolarHBondContact CB-OG1 3.34Å; T17-T21 WeakPolarHBondContact O-CB 3.42Å; T17-T21 PolarHBondContact O-N 2.95Å; T17-T21 PolarHBondContact O-OG1 2.82Å
18	Q	38.9	Very low	41.2	Very low	102 Å²	102	100.7 Å²	100.7	48%	0.477	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-34.9	-175.3	-94.5	171.7	23.9	0	0	114.1	I14 L22	I14-Q18 VanDerWaalsContact O-CG 3.27Å; I14-Q18 WeakPolarHBondContact O-CG 3.27Å; Q18-L22 PolarHBondContact O-N 3.11Å
19	D	41.4	Very low	40.7	Very low	157 Å²	157	102 Å²	102	84%	0.84	56%	0.556	S	S	*	*	H	α-helix	trans	-77.6	-29.1	179.5	-83.2	-35.3	0	0	0	113.6	T17	T17-D19 VanDerWaalsContact C-N 3.34Å; T17-D19 PolarHBondContact O-N 2.64Å
20	E	43.2	Very low	39.9	Very low	146 Å²	146	105.2 Å²	105.2	68%	0.682	56%	0.559	S	S	*	*	H	α-helix	trans	-89.2	-29.1	175.9	-70.3	-173.5	159.6	0	0	112.8	T17 S23 L24	T17-E20 PolarHBondContact O-N 3.14Å; E20-S23 PolarHBondContact O-N 3.22Å; E20-L24 PolarHBondContact O-N 2.92Å; E20-L24 VanDerWaalsContact O-N 3.15Å
21	T	42.6	Very low	39.6	Very low	47 Å²	47	102.3 Å²	102.3	29%	0.288	55%	0.549	S	S	.	.	H	α-helix	trans	-75.3	-29.3	-177.1	-53.4	0	0	0	0	112.4	T17 S23 L24 Q25	T17-T21 WeakPolarHBondContact CB-OG1 3.34Å; T17-T21 WeakPolarHBondContact O-CB 3.42Å; T17-T21 PolarHBondContact O-N 2.95Å; T17-T21 PolarHBondContact O-OG1 2.82Å; T21-S23 VanDerWaalsContact C-N 3.26Å; T21-S23 PolarHBondContact O-N 3.1Å; T21-L24 PolarHBondContact O-N 3.45Å; T21-Q25 HydrophobicContact CG2-CG 3.82Å; T21-Q25 WeakPolarHBondContact O-CB 3.37Å; T21-Q25 WeakPolarHBondContact O-CG 3.18Å; T21-Q25 PolarHBondContact O-N 2.85Å
22	L	38	Very low	39.2	Very low	129 Å²	129	101.5 Å²	101.5	68%	0.675	55%	0.548	S	S	*	.	H	α-helix	trans	-66.1	-30.3	174.4	-97.5	149.6	0	0	0	112.3	Q18	Q18-L22 PolarHBondContact O-N 3.11Å
23	S	36.8	Very low	38.3	Very low	80 Å²	80	106 Å²	106	56%	0.559	55%	0.554	S	S	*	*	H	α-helix	trans	-76.3	-42.6	172.1	-152.4	0	0	0	0	111.5	E20 T21 Q25 D27	E20-S23 PolarHBondContact O-N 3.22Å; T21-S23 VanDerWaalsContact C-N 3.26Å; T21-S23 PolarHBondContact O-N 3.1Å; S23-Q25 PolarHBondContact O-N 3.23Å; S23-D27 PolarHBondContact O-N 2.96Å
24	L	36	Very low	37.7	Very low	95 Å²	95	108 Å²	108	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-70.2	-31.1	-179.3	-86.5	153.5	0	0	0	114.3	E20 T21 N28	E20-L24 PolarHBondContact O-N 2.92Å; E20-L24 VanDerWaalsContact O-N 3.15Å; T21-L24 PolarHBondContact O-N 3.45Å; L24-N28 VanDerWaalsContact O-CB 3.28Å; L24-N28 WeakPolarHBondContact O-CB 3.4Å; L24-N28 VanDerWaalsContact O-CG 3.27Å; L24-N28 PolarHBondContact O-N 3.5Å; L24-N28 PolarHBondContact O-ND2 3.46Å
25	Q	33.7	Very low	37.1	Very low	114 Å²	114	108.8 Å²	108.8	53%	0.533	56%	0.558	S	S	.	*	H	α-helix	trans	-74.1	-32.7	179.3	-77.5	-176.2	-13.3	0	0	112.8	T21 S23 N28 I29	T21-Q25 HydrophobicContact CG2-CG 3.82Å; T21-Q25 WeakPolarHBondContact O-CB 3.37Å; T21-Q25 WeakPolarHBondContact O-CG 3.18Å; T21-Q25 PolarHBondContact O-N 2.85Å; S23-Q25 PolarHBondContact O-N 3.23Å; Q25-N28 PolarHBondContact O-N 3.24Å; Q25-I29 VanDerWaalsContact O-CG1 3.27Å; Q25-I29 WeakPolarHBondContact O-CG1 3.28Å; Q25-I29 PolarHBondContact O-N 2.68Å
26	K	34.8	Very low	36.3	Very low	158 Å²	158	104.3 Å²	104.3	69%	0.687	54%	0.544	S	S	*	.	H	α-helix	trans	-67.2	-42.7	176	-164.1	176.8	178.2	-175.1	0	110.9	E30	K26-E30 PolarHBondContact O-N 3.45Å
27	D	35	Very low	35.9	Very low	89 Å²	89	103.1 Å²	103.1	48%	0.476	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-39.8	175.6	-66.3	-22.9	0	0	0	111.7	S23 E30 V31	S23-D27 PolarHBondContact O-N 2.96Å; D27-E30 PolarHBondContact O-N 2.9Å; D27-V31 WeakPolarHBondContact O-CB 3.34Å; D27-V31 WeakPolarHBondContact O-CG2 3.27Å; D27-V31 PolarHBondContact O-N 3.42Å
28	N	32.2	Very low	35.6	Very low	90 Å²	90	105 Å²	105	48%	0.481	53%	0.534	S	S	.	.	H	α-helix	trans	-68.9	-35.4	179.3	-81.2	-27.7	0	0	0	113.5	L24 Q25 T32	L24-N28 VanDerWaalsContact O-CB 3.28Å; L24-N28 WeakPolarHBondContact O-CB 3.4Å; L24-N28 VanDerWaalsContact O-CG 3.27Å; L24-N28 PolarHBondContact O-N 3.5Å; L24-N28 PolarHBondContact O-ND2 3.46Å; Q25-N28 PolarHBondContact O-N 3.24Å; N28-T32 WeakPolarHBondContact O-CB 3.21Å; N28-T32 PolarHBondContact O-N 3.27Å; N28-T32 PolarHBondContact O-OG1 3.01Å
29	I	39.7	Very low	35.6	Very low	123 Å²	123	104.8 Å²	104.8	63%	0.631	54%	0.535	S	S	*	.	H	α-helix	trans	-67.2	-43.8	175.8	-68.5	166.6	0	0	0	110	Q25 T32 F33	Q25-I29 VanDerWaalsContact O-CG1 3.27Å; Q25-I29 WeakPolarHBondContact O-CG1 3.28Å; Q25-I29 PolarHBondContact O-N 2.68Å; I29-T32 PolarHBondContact O-N 2.87Å; I29-F33 VanDerWaalsContact O-CB 3.29Å; I29-F33 WeakPolarHBondContact O-CB 3.28Å; I29-F33 PolarHBondContact O-N 2.85Å
30	E	36.4	Very low	35.4	Very low	134 Å²	134	102.9 Å²	102.9	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-66.1	-42.5	178.9	-168	170.1	179	0	0	111.6	K26 D27 F33 Y34	K26-E30 PolarHBondContact O-N 3.45Å; D27-E30 PolarHBondContact O-N 2.9Å; E30-F33 PolarHBondContact O-N 2.86Å; E30-Y34 WeakPolarHBondContact O-CB 3.21Å; E30-Y34 PolarHBondContact O-N 3.38Å
31	V	36.5	Very low	35.1	Very low	77 Å²	77	100.7 Å²	100.7	47%	0.467	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-43.2	175	172.4	0	0	0	0	111.2	D27 Y34 L35	D27-V31 WeakPolarHBondContact O-CB 3.34Å; D27-V31 WeakPolarHBondContact O-CG2 3.27Å; D27-V31 PolarHBondContact O-N 3.42Å; V31-Y34 PolarHBondContact O-N 2.87Å; V31-L35 HydrophobicContact CG1-CD1 3.78Å; V31-L35 HydrophobicContact CG1-CG 4.41Å; V31-L35 VanDerWaalsContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CB 3.29Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.01Å; V31-L35 PolarHBondContact O-N 3.44Å
32	T	31.4	Very low	35.1	Very low	84 Å²	84	103.8 Å²	103.8	52%	0.515	53%	0.525	S	S	.	.	H	α-helix	trans	-66.3	-41.7	178.3	-57.4	0	0	0	0	111.6	N28 I29 S36	N28-T32 WeakPolarHBondContact O-CB 3.21Å; N28-T32 PolarHBondContact O-N 3.27Å; N28-T32 PolarHBondContact O-OG1 3.01Å; I29-T32 PolarHBondContact O-N 2.87Å; T32-S36 WeakPolarHBondContact O-CB 3.42Å; T32-S36 PolarHBondContact O-N 2.85Å; T32-S36 PolarHBondContact O-OG 2.91Å
33	F	29.2	Very low	35	Very low	141 Å²	141	102.5 Å²	102.5	62%	0.618	52%	0.518	S	S	*	.	H	α-helix	trans	-64.8	-45.4	175.4	-177.8	-98.4	0	0	0	111.5	I29 E30 L35 S36 L37	I29-F33 VanDerWaalsContact O-CB 3.29Å; I29-F33 WeakPolarHBondContact O-CB 3.28Å; I29-F33 PolarHBondContact O-N 2.85Å; E30-F33 PolarHBondContact O-N 2.86Å; F33-L35 PolarHBondContact O-N 2.73Å; F33-S36 PolarHBondContact O-N 2.91Å; F33-L37 WeakPolarHBondContact O-CB 3.3Å; F33-L37 PolarHBondContact O-N 3.49Å
34	Y	35.4	Very low	35.4	Very low	129 Å²	129	103.1 Å²	103.1	51%	0.506	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-39.8	178.4	-175.5	-107.7	0	0	0	112.3	E30 V31 K38	E30-Y34 WeakPolarHBondContact O-CB 3.21Å; E30-Y34 PolarHBondContact O-N 3.38Å; V31-Y34 PolarHBondContact O-N 2.87Å; Y34-K38 HydrophobicContact CD1-CD 4.02Å; Y34-K38 HydrophobicContact CE1-CD 3.57Å; Y34-K38 HydrophobicContact CE1-CG 4.37Å; Y34-K38 VanDerWaalsContact CZ-NZ 3.25Å; Y34-K38 VanDerWaalsContact O-CB 3.28Å; Y34-K38 WeakPolarHBondContact O-CB 3.28Å; Y34-K38 WeakPolarHBondContact O-CG 3.29Å; Y34-K38 PolarHBondContact O-N 3.48Å; Y34-K38 WeakPolarHBondContact OH-CE 3.35Å; Y34-K38 PolarHBondContact OH-NZ 2.82Å
35	L	32.6	Very low	35.5	Very low	96 Å²	96	102 Å²	102	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-44.8	172.8	-79.3	166.4	0	0	0	111.1	V31 F33 K38 L39	V31-L35 HydrophobicContact CG1-CD1 3.78Å; V31-L35 HydrophobicContact CG1-CG 4.41Å; V31-L35 VanDerWaalsContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CB 3.29Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.01Å; V31-L35 PolarHBondContact O-N 3.44Å; F33-L35 PolarHBondContact O-N 2.73Å; L35-K38 PolarHBondContact O-N 3.19Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 PolarHBondContact O-N 2.73Å
36	S	24.8	Very low	35.8	Very low	57 Å²	57	98.7 Å²	98.7	40%	0.399	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-45.6	179.1	-57.1	0	0	0	0	111.5	T32 F33 L39 E40	T32-S36 WeakPolarHBondContact O-CB 3.42Å; T32-S36 PolarHBondContact O-N 2.85Å; T32-S36 PolarHBondContact O-OG 2.91Å; F33-S36 PolarHBondContact O-N 2.91Å; S36-L39 PolarHBondContact O-N 3.38Å; S36-E40 PolarHBondContact O-N 2.88Å
37	L	33.6	Very low	36.1	Very low	69 Å²	69	96 Å²	96	36%	0.361	49%	0.488	S	S	.	.	H	α-helix	trans	-63.3	-43.3	176.3	-171.3	76.7	0	0	0	111.6	F33 L39 E40 Q41	F33-L37 WeakPolarHBondContact O-CB 3.3Å; F33-L37 PolarHBondContact O-N 3.49Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 3.47Å; L37-E40 PolarHBondContact O-N 2.84Å; L37-Q41 WeakPolarHBondContact O-CB 3.35Å; L37-Q41 VanDerWaalsContact O-CG 3.3Å; L37-Q41 WeakPolarHBondContact O-CG 3.38Å; L37-Q41 PolarHBondContact O-N 2.84Å
38	K	36.4	Very low	36.4	Very low	89 Å²	89	99.7 Å²	99.7	39%	0.387	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-38	174.2	-86	-172.3	165.4	174.1	0	111.9	Y34 L35 Q41 L42	Y34-K38 HydrophobicContact CD1-CD 4.02Å; Y34-K38 HydrophobicContact CE1-CD 3.57Å; Y34-K38 HydrophobicContact CE1-CG 4.37Å; Y34-K38 VanDerWaalsContact CZ-NZ 3.25Å; Y34-K38 VanDerWaalsContact O-CB 3.28Å; Y34-K38 WeakPolarHBondContact O-CB 3.28Å; Y34-K38 WeakPolarHBondContact O-CG 3.29Å; Y34-K38 PolarHBondContact O-N 3.48Å; Y34-K38 WeakPolarHBondContact OH-CE 3.35Å; Y34-K38 PolarHBondContact OH-NZ 2.82Å; L35-K38 PolarHBondContact O-N 3.19Å; K38-Q41 CarbonylContact O-C 3.59Å; K38-Q41 PolarHBondContact O-N 3.46Å; K38-L42 WeakPolarHBondContact O-CB 3.42Å; K38-L42 WeakPolarHBondContact O-CD1 2.95Å; K38-L42 WeakPolarHBondContact O-CG 3.31Å; K38-L42 PolarHBondContact O-N 3.23Å
39	L	37.9	Very low	36.8	Very low	97 Å²	97	96.6 Å²	96.6	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-67.9	-46	177.2	-115.7	139.3	0	0	0	111.2	L35 S36 L37 Q41 L42 L43	L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 PolarHBondContact O-N 2.73Å; S36-L39 PolarHBondContact O-N 3.38Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 3.47Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.32Å; L39-L42 CarbonylContact O-C 3.58Å; L39-L42 WeakPolarHBondContact O-CA 2.96Å; L39-L42 WeakPolarHBondContact O-CB 2.98Å; L39-L42 PolarHBondContact O-N 2.84Å; L39-L42 VanDerWaalsContact O-N 3.12Å; L39-L43 HydrophobicContact CD2-CD1 4.31Å; L39-L43 HydrophobicContact CD2-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CB 3.46Å; L39-L43 VanDerWaalsContact O-CG 3.22Å; L39-L43 WeakPolarHBondContact O-CG 3.2Å; L39-L43 PolarHBondContact O-N 3.5Å
40	E	36.9	Very low	36.9	Very low	116 Å²	116	96.1 Å²	96.1	54%	0.542	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-42.3	173.8	-74.2	-177.7	175.7	0	0	111.2	S36 L37 L43 I44	S36-E40 PolarHBondContact O-N 2.88Å; L37-E40 PolarHBondContact O-N 2.84Å; E40-L43 PolarHBondContact O-N 3.01Å; E40-I44 WeakPolarHBondContact O-CB 3.38Å; E40-I44 WeakPolarHBondContact O-CG1 3.22Å; E40-I44 PolarHBondContact O-N 3.4Å
41	Q	38.4	Very low	37.1	Very low	100 Å²	100	95.5 Å²	95.5	47%	0.467	47%	0.474	S	S	.	.	H	α-helix	trans	-64.3	-38.4	171.9	-74.9	177.2	1.2	0	0	111.9	L37 K38 L39 L43 N45	L37-Q41 WeakPolarHBondContact O-CB 3.35Å; L37-Q41 VanDerWaalsContact O-CG 3.3Å; L37-Q41 WeakPolarHBondContact O-CG 3.38Å; L37-Q41 PolarHBondContact O-N 2.84Å; K38-Q41 CarbonylContact O-C 3.59Å; K38-Q41 PolarHBondContact O-N 3.46Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.32Å; Q41-L43 VanDerWaalsContact C-N 3.33Å; Q41-N45 WeakPolarHBondContact O-CA 3.32Å; Q41-N45 WeakPolarHBondContact O-CB 3.32Å; Q41-N45 PolarHBondContact O-N 3.14Å; Q41-N45 PolarHBondContact O-ND2 2.69Å
42	L	41.2	Very low	37.3	Very low	112 Å²	112	93.3 Å²	93.3	59%	0.586	46%	0.462	S	S	*	.	H	α-helix	trans	-67.4	-31.7	172.9	-94.6	150.2	0	0	0	111.8	K38 L39 S46	K38-L42 WeakPolarHBondContact O-CB 3.42Å; K38-L42 WeakPolarHBondContact O-CD1 2.95Å; K38-L42 WeakPolarHBondContact O-CG 3.31Å; K38-L42 PolarHBondContact O-N 3.23Å; L39-L42 CarbonylContact O-C 3.58Å; L39-L42 WeakPolarHBondContact O-CA 2.96Å; L39-L42 WeakPolarHBondContact O-CB 2.98Å; L39-L42 PolarHBondContact O-N 2.84Å; L39-L42 VanDerWaalsContact O-N 3.12Å; L42-S46 VanDerWaalsContact O-CA 3.31Å; L42-S46 WeakPolarHBondContact O-CA 3.35Å; L42-S46 WeakPolarHBondContact O-CB 3.36Å; L42-S46 PolarHBondContact O-N 2.99Å; L42-S46 PolarHBondContact O-OG 3.46Å
43	L	37.3	Very low	37.8	Very low	102 Å²	102	92.1 Å²	92.1	53%	0.534	45%	0.448	S	S	.	.	H	α-helix	trans	-77.8	-41	177.5	-73.6	171	0	0	0	110.9	L39 E40 Q41 S46 H47	L39-L43 HydrophobicContact CD2-CD1 4.31Å; L39-L43 HydrophobicContact CD2-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CB 3.46Å; L39-L43 VanDerWaalsContact O-CG 3.22Å; L39-L43 WeakPolarHBondContact O-CG 3.2Å; L39-L43 PolarHBondContact O-N 3.5Å; E40-L43 PolarHBondContact O-N 3.01Å; Q41-L43 VanDerWaalsContact C-N 3.33Å; L43-S46 WeakPolarHBondContact CA-OG 3.42Å; L43-S46 PolarHBondContact O-OG 3.22Å; L43-S46 VanDerWaalsContact O-OG 3.08Å; L43-H47 WeakPolarHBondContact O-CB 3.35Å; L43-H47 PolarHBondContact O-N 2.69Å
44	I	43.6	Very low	38.3	Very low	94 Å²	94	93.8 Å²	93.8	48%	0.482	46%	0.455	S	S	.	.	H	α-helix	trans	-66	-50.7	171.9	-67.9	165.6	0	0	0	109.3	E40 S46 H47 Y48	E40-I44 WeakPolarHBondContact O-CB 3.38Å; E40-I44 WeakPolarHBondContact O-CG1 3.22Å; E40-I44 PolarHBondContact O-N 3.4Å; I44-S46 VanDerWaalsContact C-N 3.34Å; I44-S46 PolarHBondContact O-N 2.86Å; I44-H47 PolarHBondContact O-N 3.12Å; I44-Y48 HydrophobicContact CG2-CD2 3.82Å; I44-Y48 HydrophobicContact CG2-CE2 4.04Å; I44-Y48 WeakPolarHBondContact O-CB 3.46Å; I44-Y48 WeakPolarHBondContact O-CD2 3.47Å; I44-Y48 PolarHBondContact O-N 2.72Å
45	N	39.1	Very low	38.4	Very low	71 Å²	71	90 Å²	90	38%	0.38	44%	0.443	S	S	.	.	H	α-helix	trans	-62.3	-43.1	176.8	-71.6	-29.8	0	0	0	110.1	Q41 H47 Y48 T49	Q41-N45 WeakPolarHBondContact O-CA 3.32Å; Q41-N45 WeakPolarHBondContact O-CB 3.32Å; Q41-N45 PolarHBondContact O-N 3.14Å; Q41-N45 PolarHBondContact O-ND2 2.69Å; N45-H47 VanDerWaalsContact C-N 3.34Å; N45-H47 PolarHBondContact O-N 3.2Å; N45-Y48 PolarHBondContact O-N 2.76Å; N45-T49 WeakPolarHBondContact O-CA 3.28Å; N45-T49 WeakPolarHBondContact O-CB 3.21Å; N45-T49 PolarHBondContact O-N 3.32Å; N45-T49 PolarHBondContact O-OG1 3.42Å
46	S	39.8	Very low	38.9	Very low	44 Å²	44	86.4 Å²	86.4	31%	0.308	43%	0.425	S	S	.	.	H	α-helix	trans	-67	-35.8	177.2	68.2	0	0	0	0	111.1	L42 L43 I44 T49 L50	L42-S46 VanDerWaalsContact O-CA 3.31Å; L42-S46 WeakPolarHBondContact O-CA 3.35Å; L42-S46 WeakPolarHBondContact O-CB 3.36Å; L42-S46 PolarHBondContact O-N 2.99Å; L42-S46 PolarHBondContact O-OG 3.46Å; L43-S46 WeakPolarHBondContact CA-OG 3.42Å; L43-S46 PolarHBondContact O-OG 3.22Å; L43-S46 VanDerWaalsContact O-OG 3.08Å; I44-S46 VanDerWaalsContact C-N 3.34Å; I44-S46 PolarHBondContact O-N 2.86Å; S46-T49 PolarHBondContact O-N 2.91Å; S46-L50 WeakPolarHBondContact O-CA 3.18Å; S46-L50 WeakPolarHBondContact O-CB 3.4Å; S46-L50 VanDerWaalsContact O-CD1 3.32Å; S46-L50 WeakPolarHBondContact O-CD1 3.22Å; S46-L50 WeakPolarHBondContact O-CG 3.32Å; S46-L50 PolarHBondContact O-N 2.82Å
47	H	40.1	Very low	39.5	Very low	103 Å²	103	89.5 Å²	89.5	48%	0.477	44%	0.437	S	S	.	.	H	α-helix	trans	-70	-39.9	175.6	-175.7	-110.2	0	0	0	112.2	L43 I44 N45 K51	L43-H47 WeakPolarHBondContact O-CB 3.35Å; L43-H47 PolarHBondContact O-N 2.69Å; I44-H47 PolarHBondContact O-N 3.12Å; N45-H47 VanDerWaalsContact C-N 3.34Å; N45-H47 PolarHBondContact O-N 3.2Å; H47-K51 WeakPolarHBondContact CE1-CE 3.3Å; H47-K51 WeakPolarHBondContact O-CB 3.02Å; H47-K51 WeakPolarHBondContact O-CG 3.37Å; H47-K51 PolarHBondContact O-N 2.56Å
48	Y	41.3	Very low	39.8	Very low	166 Å²	166	89.7 Å²	89.7	65%	0.651	43%	0.433	S	S	*	.	H	α-helix	trans	-65	-44.8	171.2	-93.4	-80.6	0	0	0	111.8	I44 N45 K51 C52	I44-Y48 HydrophobicContact CG2-CD2 3.82Å; I44-Y48 HydrophobicContact CG2-CE2 4.04Å; I44-Y48 WeakPolarHBondContact O-CB 3.46Å; I44-Y48 WeakPolarHBondContact O-CD2 3.47Å; I44-Y48 PolarHBondContact O-N 2.72Å; N45-Y48 PolarHBondContact O-N 2.76Å; Y48-K51 PolarHBondContact O-N 3.39Å; Y48-C52 VanDerWaalsContact O-CB 3.25Å; Y48-C52 WeakPolarHBondContact O-CB 2.88Å; Y48-C52 PolarHBondContact O-N 3Å
49	T	42.5	Very low	39.8	Very low	25 Å²	25	97 Å²	97	15%	0.153	46%	0.458	C	S	.	.	H	α-helix	trans	-64.4	-45.8	178.2	-58.9	0	0	0	0	109.4	N45 S46 C52 W53 S73	N45-T49 WeakPolarHBondContact O-CA 3.28Å; N45-T49 WeakPolarHBondContact O-CB 3.21Å; N45-T49 PolarHBondContact O-N 3.32Å; N45-T49 PolarHBondContact O-OG1 3.42Å; S46-T49 PolarHBondContact O-N 2.91Å; T49-C52 CarbonylContact O-C 3.43Å; T49-C52 WeakPolarHBondContact O-CB 3Å; T49-C52 PolarHBondContact O-N 3.07Å; T49-W53 WeakPolarHBondContact O-CB 3.42Å; T49-W53 PolarHBondContact O-N 3.5Å; T49-S73 WeakPolarHBondContact OG1-CB 3.28Å
50	L	41.1	Very low	39.8	Very low	112 Å²	112	97.7 Å²	97.7	59%	0.586	47%	0.467	S	S	*	.	H	α-helix	trans	-63.7	-44.2	175.4	-86.2	155.5	0	0	0	111.4	S46 C52 W53 K54	S46-L50 WeakPolarHBondContact O-CA 3.18Å; S46-L50 WeakPolarHBondContact O-CB 3.4Å; S46-L50 VanDerWaalsContact O-CD1 3.32Å; S46-L50 WeakPolarHBondContact O-CD1 3.22Å; S46-L50 WeakPolarHBondContact O-CG 3.32Å; S46-L50 PolarHBondContact O-N 2.82Å; L50-C52 VanDerWaalsContact C-N 3.3Å; L50-C52 PolarHBondContact O-N 3.39Å; L50-W53 PolarHBondContact O-N 3.22Å; L50-K54 WeakPolarHBondContact O-CA 3.44Å; L50-K54 WeakPolarHBondContact O-CB 3.41Å; L50-K54 PolarHBondContact O-N 2Å
51	K	39.9	Very low	39.9	Very low	122 Å²	122	96.9 Å²	96.9	53%	0.53	47%	0.474	S	S	.	.	H	α-helix	trans	-60.6	-43.5	173.9	-83.9	-175.5	170.6	-176.1	0	111.1	H47 Y48 K54 N55	H47-K51 WeakPolarHBondContact CE1-CE 3.3Å; H47-K51 WeakPolarHBondContact O-CB 3.02Å; H47-K51 WeakPolarHBondContact O-CG 3.37Å; H47-K51 PolarHBondContact O-N 2.56Å; Y48-K51 PolarHBondContact O-N 3.39Å; K51-K54 PolarHBondContact O-N 2.71Å; K51-N55 PolarHBondContact O-N 3.46Å
52	C	41.5	Very low	39.8	Very low	30 Å²	30	101.3 Å²	101.3	20%	0.203	49%	0.494	C	S	.	.	H	α-helix	trans	-63.8	-45	176.5	-178.6	0	0	0	0	112.3	Y48 T49 L50 K54 N55 L56 C76	Y48-C52 VanDerWaalsContact O-CB 3.25Å; Y48-C52 WeakPolarHBondContact O-CB 2.88Å; Y48-C52 PolarHBondContact O-N 3Å; T49-C52 CarbonylContact O-C 3.43Å; T49-C52 WeakPolarHBondContact O-CB 3Å; T49-C52 PolarHBondContact O-N 3.07Å; L50-C52 VanDerWaalsContact C-N 3.3Å; L50-C52 PolarHBondContact O-N 3.39Å; C52-K54 VanDerWaalsContact C-N 3.33Å; C52-K54 PolarHBondContact O-N 2.83Å; C52-N55 PolarHBondContact O-N 3.47Å; C52-L56 PolarHBondContact O-N 3.48Å; C52-L56 VanDerWaalsContact O-N 3.17Å; C52-C76 HydrophobicContact CB-CB 3.93Å; C52-C76 WeakPolarHBondContact CB-SG 3.4Å; C52-C76 WeakPolarHBondContact SG-CB 3.01Å; C52-C76 CovalentContact SG-SG 2Å; C52-C76 PolarHBondContact SG-SG 3.48Å
53	W	40.7	Very low	39.6	Very low	59 Å²	59	99.7 Å²	99.7	22%	0.223	49%	0.489	C	S	.	.	H	α-helix	trans	-66.8	-32.7	173.9	-71.9	119.1	0	0	0	112.6	T49 L50 N55 L56 L68 F71	T49-W53 WeakPolarHBondContact O-CB 3.42Å; T49-W53 PolarHBondContact O-N 3.5Å; L50-W53 PolarHBondContact O-N 3.22Å; W53-N55 VanDerWaalsContact C-N 3.26Å; W53-N55 PolarHBondContact O-N 2.81Å; W53-L56 HydrophobicContact CD2-CD1 4.17Å; W53-L56 HydrophobicContact CE3-CD1 3.35Å; W53-L56 HydrophobicContact CZ3-CD1 3.56Å; W53-L56 CarbonylContact O-C 3.59Å; W53-L56 WeakPolarHBondContact O-CA 3.47Å; W53-L56 VanDerWaalsContact O-CB 3.32Å; W53-L56 WeakPolarHBondContact O-CB 3.38Å; W53-L56 PolarHBondContact O-N 3.08Å; W53-L56 VanDerWaalsContact O-N 3.09Å; W53-L56 VanDerWaalsContact O-O 3.06Å; W53-L68 HydrophobicContact CD2-CD1 4.24Å; W53-L68 HydrophobicContact CD2-CD2 3.67Å; W53-L68 HydrophobicContact CD2-CG 3.74Å; W53-L68 HydrophobicContact CE3-CD1 3.58Å; W53-L68 HydrophobicContact CE3-CD2 3.71Å; W53-L68 HydrophobicContact CE3-CG 3.61Å; W53-L68 HydrophobicContact CG-CD2 4.1Å; W53-L68 HydrophobicContact CH2-CD1 3.4Å; W53-L68 VanDerWaalsContact CH2-CD1 3.4Å; W53-L68 HydrophobicContact CH2-CD2 4.46Å; W53-L68 HydrophobicContact CH2-CG 3.49Å; W53-L68 VanDerWaalsContact CH2-CG 3.49Å; W53-L68 HydrophobicContact CZ2-CB 4.46Å; W53-L68 HydrophobicContact CZ2-CD1 4.06Å; W53-L68 HydrophobicContact CZ2-CD2 4.41Å; W53-L68 HydrophobicContact CZ2-CG 3.58Å; W53-L68 HydrophobicContact CZ3-CD1 3.12Å; W53-L68 HydrophobicContact CZ3-CD2 4.13Å; W53-L68 HydrophobicContact CZ3-CG 3.5Å; W53-F71 HydrophobicContact CZ2-CB 4.36Å
54	K	40.9	Very low	39.6	Very low	176 Å²	176	100.6 Å²	100.6	77%	0.765	50%	0.495	S	S	*	.	H	α-helix	trans	-69.7	-29.1	176.4	-164.5	176.3	-174.9	-178	0	111.3	L50 K51 C52 L56	L50-K54 WeakPolarHBondContact O-CA 3.44Å; L50-K54 WeakPolarHBondContact O-CB 3.41Å; L50-K54 PolarHBondContact O-N 2Å; K51-K54 PolarHBondContact O-N 2.71Å; C52-K54 VanDerWaalsContact C-N 3.33Å; C52-K54 PolarHBondContact O-N 2.83Å; K54-L56 VanDerWaalsContact C-N 3.3Å
55	N	37.9	Very low	39.5	Very low	49 Å²	49	98.6 Å²	98.6	26%	0.262	50%	0.497	S	S	.	.	H	α-helix	trans	-79	-14.5	171	-75.1	-11.7	0	0	0	113.4	K51 C52 W53 N57 T93	K51-N55 PolarHBondContact O-N 3.46Å; C52-N55 PolarHBondContact O-N 3.47Å; W53-N55 VanDerWaalsContact C-N 3.26Å; W53-N55 PolarHBondContact O-N 2.81Å; N55-N57 PolarHBondContact O-N 2.88Å; N55-T93 PolarHBondContact ND2-OXT 3.32Å; N55-T93 PolarHBondContact OD1-OXT 3.23Å
56	L	41.4	Very low	39.4	Very low	22 Å²	22	101.4 Å²	101.4	12%	0.115	51%	0.512	C	S	.	.	B	Isolated β-bridge	trans	-80.5	95.9	165.6	-73.4	168.1	0	0	0	108.1	C52 W53 K54 Y58 C80 L88	C52-L56 PolarHBondContact O-N 3.48Å; C52-L56 VanDerWaalsContact O-N 3.17Å; W53-L56 HydrophobicContact CD2-CD1 4.17Å; W53-L56 HydrophobicContact CE3-CD1 3.35Å; W53-L56 HydrophobicContact CZ3-CD1 3.56Å; W53-L56 CarbonylContact O-C 3.59Å; W53-L56 WeakPolarHBondContact O-CA 3.47Å; W53-L56 VanDerWaalsContact O-CB 3.32Å; W53-L56 WeakPolarHBondContact O-CB 3.38Å; W53-L56 PolarHBondContact O-N 3.08Å; W53-L56 VanDerWaalsContact O-N 3.09Å; W53-L56 VanDerWaalsContact O-O 3.06Å; K54-L56 VanDerWaalsContact C-N 3.3Å; L56-Y58 PolarHBondContact O-N 2.95Å; L56-C80 VanDerWaalsContact CD2-SG 3.51Å; L56-L88 HydrophobicContact CD2-CD2 3.26Å; L56-L88 HydrophobicContact CD2-CG 4.01Å
57	N	39.1	Very low	39.3	Very low	122 Å²	122	103.6 Å²	103.6	65%	0.652	52%	0.52	S	S	*	.			trans	-68.1	72.5	167.9	-84.2	-46.1	0	0	0	109.6	N55 R59	N55-N57 PolarHBondContact O-N 2.88Å; N57-R59 PolarHBondContact O-N 3.26Å
58	Y	38.6	Very low	39.2	Very low	73 Å²	73	102 Å²	102	29%	0.286	51%	0.514	S	S	.	.			trans	-82.6	108.5	-179	-153.6	-104.3	0	0	0	108.5	L56 T60 V63 L88	L56-Y58 PolarHBondContact O-N 2.95Å; Y58-T60 VanDerWaalsContact C-N 3.32Å; Y58-T60 HydrophobicContact CD1-CG2 3.73Å; Y58-T60 HydrophobicContact CE1-CG2 4.44Å; Y58-T60 PolarHBondContact O-N 2.75Å; Y58-V63 HydrophobicContact CE1-CB 4.03Å; Y58-V63 HydrophobicContact CE1-CG2 4.36Å; Y58-V63 WeakPolarHBondContact OH-CG2 3.03Å; Y58-L88 HydrophobicContact CD2-CD1 3.86Å; Y58-L88 HydrophobicContact CD2-CG 4.32Å; Y58-L88 HydrophobicContact CE2-CD1 3.46Å; Y58-L88 VanDerWaalsContact CE2-CD1 3.46Å; Y58-L88 HydrophobicContact CE2-CG 4.39Å
59	R	36.2	Very low	39.1	Very low	242 Å²	242	101.1 Å²	101.1	91%	0.913	52%	0.52	S	S	*	.			trans	-74.2	90.9	170.4	-78.6	-173.2	178.2	-168	-0.8	107.9	N57 S61	N57-R59 PolarHBondContact O-N 3.26Å; R59-S61 PolarHBondContact O-N 2.65Å
60	T	39.4	Very low	38.7	Very low	111 Å²	111	106.8 Å²	106.8	68%	0.681	55%	0.547	S	S	*	.			trans	-69.7	95.3	177.7	51.6	0	0	0	0	110.9	Y58	Y58-T60 VanDerWaalsContact C-N 3.32Å; Y58-T60 HydrophobicContact CD1-CG2 3.73Å; Y58-T60 HydrophobicContact CE1-CG2 4.44Å; Y58-T60 PolarHBondContact O-N 2.75Å
61	S	37	Very low	38.6	Very low	99 Å²	99	106.3 Å²	106.3	69%	0.692	54%	0.54	S	S	*	.	S	Bend	trans	-113.3	106.7	139.4	54.2	0	0	0	0	106.1	R59	R59-S61 PolarHBondContact O-N 2.65Å
62	E	38	Very low	38.8	Very low	193 Å²	193	109.6 Å²	109.6	90%	0.902	55%	0.554	S	S	*	*	S	Bend	trans	88	24.5	160	-49.5	-175.7	155.3	0	0	120.9
63	V	36.7	Very low	38.9	Very low	78 Å²	78	110.1 Å²	110.1	47%	0.473	56%	0.559	S	S	.	*			trans	-118.6	114.3	170.1	-169	0	0	0	0	112.5	Y58 G65	Y58-V63 HydrophobicContact CE1-CB 4.03Å; Y58-V63 HydrophobicContact CE1-CG2 4.36Å; Y58-V63 WeakPolarHBondContact OH-CG2 3.03Å; V63-G65 PolarHBondContact O-N 3.09Å
64	D	37.7	Very low	39.1	Very low	122 Å²	122	115.1 Å²	115.1	65%	0.652	58%	0.584	S	S	*	*			trans	-43.4	116.1	-178.7	-80.4	-48.6	0	0	0	113.6	L66 N67	D64-L66 PolarHBondContact O-N 3.03Å; D64-N67 PolarHBondContact O-N 3.35Å
65	G	40	Very low	39.4	Very low	52 Å²	52	110.6 Å²	110.6	54%	0.536	57%	0.566	S	S	.	*	H	α-helix	trans	-56.7	-11.8	172.9	0	0	0	0	0	114.3	V63 L68	V63-G65 PolarHBondContact O-N 3.09Å; G65-L68 VanDerWaalsContact O-CB 3.28Å; G65-L68 WeakPolarHBondContact O-CB 3.01Å
66	L	37.6	Very low	39.6	Very low	130 Å²	130	110 Å²	110	68%	0.681	57%	0.565	S	S	*	*	H	α-helix	trans	-71.5	-38.6	173.4	-125.4	98.1	0	0	0	112.8	D64 L68 L69 M70	D64-L66 PolarHBondContact O-N 3.03Å; L66-L68 PolarHBondContact O-N 3.38Å; L66-L69 PolarHBondContact O-N 3.38Å; L66-L69 VanDerWaalsContact O-N 3.14Å; L66-M70 PolarHBondContact O-N 2.87Å
67	N	37	Very low	39.9	Very low	90 Å²	90	114 Å²	114	48%	0.481	59%	0.593	S	S	.	*	H	α-helix	trans	-64.2	-31.3	176.6	-88	-29.3	0	0	0	110.6	D64 L69 M70 F71	D64-N67 PolarHBondContact O-N 3.35Å; N67-L69 VanDerWaalsContact C-N 3.32Å; N67-L69 PolarHBondContact O-N 3.41Å; N67-M70 PolarHBondContact O-N 2.76Å; N67-F71 WeakPolarHBondContact O-CD2 3.25Å
68	L	38.9	Very low	40.3	Very low	68 Å²	68	114 Å²	114	36%	0.356	59%	0.588	S	S	.	*	H	α-helix	trans	-59.1	-39.9	174.1	-132.8	81.7	0	0	0	112.9	W53 G65 L66	W53-L68 HydrophobicContact CD2-CD1 4.24Å; W53-L68 HydrophobicContact CD2-CD2 3.67Å; W53-L68 HydrophobicContact CD2-CG 3.74Å; W53-L68 HydrophobicContact CE3-CD1 3.58Å; W53-L68 HydrophobicContact CE3-CD2 3.71Å; W53-L68 HydrophobicContact CE3-CG 3.61Å; W53-L68 HydrophobicContact CG-CD2 4.1Å; W53-L68 HydrophobicContact CH2-CD1 3.4Å; W53-L68 VanDerWaalsContact CH2-CD1 3.4Å; W53-L68 HydrophobicContact CH2-CD2 4.46Å; W53-L68 HydrophobicContact CH2-CG 3.49Å; W53-L68 VanDerWaalsContact CH2-CG 3.49Å; W53-L68 HydrophobicContact CZ2-CB 4.46Å; W53-L68 HydrophobicContact CZ2-CD1 4.06Å; W53-L68 HydrophobicContact CZ2-CD2 4.41Å; W53-L68 HydrophobicContact CZ2-CG 3.58Å; W53-L68 HydrophobicContact CZ3-CD1 3.12Å; W53-L68 HydrophobicContact CZ3-CD2 4.13Å; W53-L68 HydrophobicContact CZ3-CG 3.5Å; G65-L68 VanDerWaalsContact O-CB 3.28Å; G65-L68 WeakPolarHBondContact O-CB 3.01Å; L66-L68 PolarHBondContact O-N 3.38Å
69	L	38.5	Very low	40.5	Very low	149 Å²	149	112.8 Å²	112.8	78%	0.78	59%	0.586	S	S	*	*	H	α-helix	trans	-76.4	-24.6	-175.6	-72.8	169.1	0	0	0	113.3	L66 N67 F71	L66-L69 PolarHBondContact O-N 3.38Å; L66-L69 VanDerWaalsContact O-N 3.14Å; N67-L69 VanDerWaalsContact C-N 3.32Å; N67-L69 PolarHBondContact O-N 3.41Å; L69-F71 VanDerWaalsContact C-N 3.31Å
70	M	35.4	Very low	40.8	Very low	144 Å²	144	102 Å²	102	71%	0.709	55%	0.547	S	S	*	.	H	α-helix	trans	-79.4	-13.6	179.8	-66.9	-137.9	-66.1	0	0	113.6	L66 N67 K72	L66-M70 PolarHBondContact O-N 2.87Å; N67-M70 PolarHBondContact O-N 2.76Å; M70-K72 PolarHBondContact O-N 2Å
71	F	38.9	Very low	41.1	Very low	102 Å²	102	104.8 Å²	104.8	45%	0.447	55%	0.552	S	S	.	*	S	Bend	trans	-77.5	94.1	177.6	-88.8	-98.7	0	0	0	110.8	W53 N67 L69 S73	W53-F71 HydrophobicContact CZ2-CB 4.36Å; N67-F71 WeakPolarHBondContact O-CD2 3.25Å; L69-F71 VanDerWaalsContact C-N 3.31Å; F71-S73 PolarHBondContact O-N 3.38Å
72	K	43.3	Very low	41.4	Very low	190 Å²	190	109 Å²	109	83%	0.826	55%	0.553	S	S	*	*			trans	-45.6	121.5	169.3	-70.9	178.9	177.4	177.4	0	110.4	M70 Q74	M70-K72 PolarHBondContact O-N 2Å; K72-Q74 PolarHBondContact O-N 3.25Å
73	S	44.5	Very low	41.7	Very low	42 Å²	42	103 Å²	103	29%	0.294	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	20	-166.8	72.8	0	0	0	0	117.5	T49 F71 H75	T49-S73 WeakPolarHBondContact OG1-CB 3.28Å; F71-S73 PolarHBondContact O-N 3.38Å; S73-H75 PolarHBondContact O-N 3.17Å
74	Q	45.1	Very low	42.2	Very low	164 Å²	164	104.8 Å²	104.8	77%	0.766	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6	-173.5	-74.3	-169.1	-14	0	0	115	K72	K72-Q74 PolarHBondContact O-N 3.25Å
75	H	46.1	Very low	42.5	Very low	80 Å²	80	101.2 Å²	101.2	37%	0.37	52%	0.524	S	S	.	.			trans	-138.6	33.5	-169.1	-63.2	-71.3	0	0	0	114.5	S73 Q78 Q79	S73-H75 PolarHBondContact O-N 3.17Å; H75-Q78 HydrophobicContact CB-CB 4.34Å; H75-Q78 PolarHBondContact ND1-OE1 3.01Å; H75-Q78 PolarHBondContact O-N 3.48Å; H75-Q79 HydrophobicContact CB-CG 3.59Å; H75-Q79 WeakPolarHBondContact O-CB 3.33Å; H75-Q79 VanDerWaalsContact O-CG 3.3Å; H75-Q79 WeakPolarHBondContact O-CG 3.1Å; H75-Q79 PolarHBondContact O-N 3.3Å
76	C	43.3	Very low	42.9	Very low	38 Å²	38	104.6 Å²	104.6	26%	0.257	54%	0.536	S	S	.	.	H	α-helix	trans	-53.2	-41.6	-169.9	-128.9	0	0	0	0	115.9	C52	C52-C76 HydrophobicContact CB-CB 3.93Å; C52-C76 WeakPolarHBondContact CB-SG 3.4Å; C52-C76 WeakPolarHBondContact SG-CB 3.01Å; C52-C76 CovalentContact SG-SG 2Å; C52-C76 PolarHBondContact SG-SG 3.48Å
77	P	47.6	Very low	43.1	Very low	106 Å²	106	104 Å²	104	69%	0.688	53%	0.534	S	S	*	.	H	α-helix	trans	-71.3	-43.7	173.4	-17.8	31.6	0	0	0	113.1	Q79 C80	P77-Q79 VanDerWaalsContact C-N 3.34Å; P77-Q79 PolarHBondContact O-N 2.84Å; P77-C80 PolarHBondContact O-N 2.71Å
78	Q	47.1	Very low	43.4	Very low	121 Å²	121	100.8 Å²	100.8	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-71.5	-26	-176	-72.8	176.2	-23.4	0	0	113.4	H75 R82	H75-Q78 HydrophobicContact CB-CB 4.34Å; H75-Q78 PolarHBondContact ND1-OE1 3.01Å; H75-Q78 PolarHBondContact O-N 3.48Å; Q78-R82 PolarHBondContact O-N 2.99Å
79	Q	42.7	Very low	43.6	Very low	48 Å²	48	105.3 Å²	105.3	22%	0.224	53%	0.533	C	S	.	.	H	α-helix	trans	-81.1	-27	177.7	-65.3	-70.6	-26.5	0	0	111.7	H75 P77 E81 R82 L83	H75-Q79 HydrophobicContact CB-CG 3.59Å; H75-Q79 WeakPolarHBondContact O-CB 3.33Å; H75-Q79 VanDerWaalsContact O-CG 3.3Å; H75-Q79 WeakPolarHBondContact O-CG 3.1Å; H75-Q79 PolarHBondContact O-N 3.3Å; P77-Q79 VanDerWaalsContact C-N 3.34Å; P77-Q79 PolarHBondContact O-N 2.84Å; Q79-E81 PolarHBondContact O-N 3Å; Q79-R82 PolarHBondContact O-N 2.98Å; Q79-R82 VanDerWaalsContact O-N 3.09Å; Q79-L83 WeakPolarHBondContact O-CG 3.29Å; Q79-L83 PolarHBondContact O-N 3.09Å
80	C	41.5	Very low	43.8	Very low	16 Å²	16	101.8 Å²	101.8	11%	0.108	52%	0.52	C	S	.	.	H	α-helix	trans	-62	-36.7	175	-151.2	0	0	0	0	111.3	L56 P77 C90	L56-C80 VanDerWaalsContact CD2-SG 3.51Å; P77-C80 PolarHBondContact O-N 2.71Å; C80-C90 HydrophobicContact CB-CB 4.09Å; C80-C90 WeakPolarHBondContact CB-SG 3.49Å; C80-C90 WeakPolarHBondContact SG-CB 3.37Å; C80-C90 CovalentContact SG-SG 2Å; C80-C90 PolarHBondContact SG-SG 2.92Å
81	E	45.8	Very low	44	Very low	168 Å²	168	97.5 Å²	97.5	79%	0.785	50%	0.504	S	S	*	.	H	α-helix	trans	-75.2	-28.7	172.6	-65.6	-178.7	168	0	0	113.4	Q79	Q79-E81 PolarHBondContact O-N 3Å
82	R	44	Very low	43.9	Very low	187 Å²	187	98.4 Å²	98.4	71%	0.706	52%	0.524	S	S	*	.	H	α-helix	trans	-75.5	-24.8	176.7	-80.8	-173.7	176.9	-165.5	0.7	113.6	Q78 Q79 S84	Q78-R82 PolarHBondContact O-N 2.99Å; Q79-R82 PolarHBondContact O-N 2.98Å; Q79-R82 VanDerWaalsContact O-N 3.09Å; R82-S84 PolarHBondContact O-N 2.76Å
83	L	45.2	Very low	43.4	Very low	67 Å²	67	96.6 Å²	96.6	35%	0.351	53%	0.529	S	S	.	.			trans	-72.7	87	169.9	-68.7	168.9	0	0	0	106.7	Q79 D85 L88	Q79-L83 WeakPolarHBondContact O-CG 3.29Å; Q79-L83 PolarHBondContact O-N 3.09Å; L83-D85 PolarHBondContact O-N 3.38Å; L83-L88 HydrophobicContact CB-CD1 4.04Å; L83-L88 HydrophobicContact CB-CD2 3.87Å; L83-L88 HydrophobicContact CB-CG 4.47Å; L83-L88 HydrophobicContact CD1-CD1 3.92Å; L83-L88 HydrophobicContact CD1-CD2 3.4Å; L83-L88 VanDerWaalsContact CD1-CD2 3.4Å; L83-L88 HydrophobicContact CD1-CG 4.34Å; L83-L88 HydrophobicContact CG-CD1 4.49Å; L83-L88 HydrophobicContact CG-CD2 4.27Å
84	S	46.5	Very low	43.4	Very low	117 Å²	117	99.4 Å²	99.4	82%	0.818	54%	0.54	S	S	*	.			trans	-65.8	32.9	167.6	-46.4	0	0	0	0	111.9	R82 P86	R82-S84 PolarHBondContact O-N 2.76Å; S84-P86 WeakPolarHBondContact O-CD 3.48Å
85	D	43	Very low	43.3	Very low	46 Å²	46	95.9 Å²	95.9	25%	0.246	53%	0.529	C	S	.	.			trans	-86	111.7	173.6	-174.3	-20.7	0	0	0	107	L83 N87 L88	L83-D85 PolarHBondContact O-N 3.38Å; D85-N87 PolarHBondContact O-N 3.4Å; D85-N87 VanDerWaalsContact OD1-CB 3.29Å; D85-N87 WeakPolarHBondContact OD1-CB 3.32Å; D85-N87 PolarHBondContact OD1-N 3.49Å; D85-N87 PolarHBondContact OD1-ND2 3.06Å; D85-L88 HydrophobicContact CB-CB 4.33Å; D85-L88 HydrophobicContact CB-CD1 3.66Å; D85-L88 WeakPolarHBondContact O-CB 3.48Å; D85-L88 PolarHBondContact O-N 3.01Å
86	P	48.7	Very low	43.1	Very low	123 Å²	123	96.8 Å²	96.8	80%	0.799	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.8	-179.3	24.9	-32.8	0	0	0	113.3	S84	S84-P86 WeakPolarHBondContact O-CD 3.48Å
87	N	42.3	Very low	43.1	Very low	118 Å²	118	100.3 Å²	100.3	63%	0.631	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-11.2	176.3	-54.5	-65.9	0	0	0	113.4	D85 K89	D85-N87 PolarHBondContact O-N 3.4Å; D85-N87 VanDerWaalsContact OD1-CB 3.29Å; D85-N87 WeakPolarHBondContact OD1-CB 3.32Å; D85-N87 PolarHBondContact OD1-N 3.49Å; D85-N87 PolarHBondContact OD1-ND2 3.06Å; N87-K89 PolarHBondContact O-N 2.69Å
88	L	43.7	Very low	42.9	Very low	23 Å²	23	99.9 Å²	99.9	12%	0.12	55%	0.546	C	S	.	.			trans	-78.6	118.5	178.8	-113.2	105.4	0	0	0	110.8	L56 Y58 L83 D85	L56-L88 HydrophobicContact CD2-CD2 3.26Å; L56-L88 HydrophobicContact CD2-CG 4.01Å; Y58-L88 HydrophobicContact CD2-CD1 3.86Å; Y58-L88 HydrophobicContact CD2-CG 4.32Å; Y58-L88 HydrophobicContact CE2-CD1 3.46Å; Y58-L88 VanDerWaalsContact CE2-CD1 3.46Å; Y58-L88 HydrophobicContact CE2-CG 4.39Å; L83-L88 HydrophobicContact CB-CD1 4.04Å; L83-L88 HydrophobicContact CB-CD2 3.87Å; L83-L88 HydrophobicContact CB-CG 4.47Å; L83-L88 HydrophobicContact CD1-CD1 3.92Å; L83-L88 HydrophobicContact CD1-CD2 3.4Å; L83-L88 VanDerWaalsContact CD1-CD2 3.4Å; L83-L88 HydrophobicContact CD1-CG 4.34Å; L83-L88 HydrophobicContact CG-CD1 4.49Å; L83-L88 HydrophobicContact CG-CD2 4.27Å; D85-L88 HydrophobicContact CB-CB 4.33Å; D85-L88 HydrophobicContact CB-CD1 3.66Å; D85-L88 WeakPolarHBondContact O-CB 3.48Å; D85-L88 PolarHBondContact O-N 3.01Å
89	K	42	Very low	42.6	Very low	162 Å²	162	98.5 Å²	98.5	70%	0.704	54%	0.544	S	S	*	.			trans	-110.1	108.9	169.2	-67.4	-172.7	179.4	-175.8	0	109.3	N87 S91	N87-K89 PolarHBondContact O-N 2.69Å; K89-S91 PolarHBondContact O-N 3.46Å
90	C	43.1	Very low	42.6	Very low	75 Å²	75	102.1 Å²	102.1	51%	0.507	57%	0.567	S	S	.	*	B	Isolated β-bridge	trans	-75.6	112.9	172.3	-45.6	0	0	0	0	108.8	C80	C80-C90 HydrophobicContact CB-CB 4.09Å; C80-C90 WeakPolarHBondContact CB-SG 3.49Å; C80-C90 WeakPolarHBondContact SG-CB 3.37Å; C80-C90 CovalentContact SG-SG 2Å; C80-C90 PolarHBondContact SG-SG 2.92Å
91	S	39	Very low	42.7	Very low	54 Å²	54	108.8 Å²	108.8	38%	0.378	60%	0.602	S	S	.	*			trans	-94.6	123.3	175.7	-178.7	0	0	0	0	110.6	K89 T93	K89-S91 PolarHBondContact O-N 3.46Å; S91-T93 PolarHBondContact O-N 3.44Å; S91-T93 PolarHBondContact OG-OG1 3.24Å
92	S	37.1	Very low	42.4	Very low	122 Å²	122	103.8 Å²	103.8	85%	0.853	59%	0.587	S	S	*	*			trans	-89.1	79.8	173	60.8	0	0	0	0	110.6
93	T	34.3	Very low	42.2	Very low	152 Å²	152	96.3 Å²	96.3	93%	0.933	58%	0.576	S	S	*	*			trans	-147.5	0	170.3	44	0	0	0	0	109.5	N55 S91	N55-T93 PolarHBondContact ND2-OXT 3.32Å; N55-T93 PolarHBondContact OD1-OXT 3.23Å; S91-T93 PolarHBondContact O-N 3.44Å; S91-T93 PolarHBondContact OG-OG1 3.24Å

Retrieved 93 of 93 residues in 58 ms (Link to these results)

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