A0A077ZLY3_TRITR Loading...

Glyco hydro 18 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLY3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 aa.

						>A0A077ZLY3_TRITR|A0A077ZLY3
MLSIGGWTFGTRKFKTMAFNSENRQTFIKSVIEYLRRHEFDENKKSMVKLLQVVKSDCQLREPLDYPFHLTYFRLLDFINLMSYDFYGSWDWQTGIDGPLFSHPSCAAAALAGHLP
					

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	74.8	Confident	88.4	Confident	118 Å²	118	97 Å²	97	58%	0.581	56%	0.557	S	S	*	*				0	149.3	0	-64.8	177.9	61.4	0	0	108.2	V48 L50 F78	M1-V48 HydrophobicContact CE-CB 3.34Å; M1-V48 HydrophobicContact CE-CG1 3.33Å; M1-V48 HydrophobicContact CE-CG2 4.44Å; M1-V48 VanDerWaalsContact CE-O 3.28Å; M1-V48 WeakPolarHBondContact CE-O 3.34Å; M1-V48 HydrophobicContact CG-CB 4.38Å; M1-V48 HydrophobicContact SD-CB 3.85Å; M1-V48 HydrophobicContact SD-CG1 3.84Å; M1-V48 HydrophobicContact SD-CG2 4.39Å; M1-L50 HydrophobicContact CE-CD1 3.13Å; M1-L50 HydrophobicContact CE-CD2 4.03Å; M1-L50 HydrophobicContact CE-CG 3.35Å; M1-L50 HydrophobicContact SD-CD1 4.07Å; M1-F78 HydrophobicContact CE-CZ 4.36Å; M1-F78 HydrophobicContact SD-CZ 4.03Å
2	L	82.2	Confident	88.9	Confident	80 Å²	80	106.3 Å²	106.3	42%	0.419	58%	0.576	S	S	.	*			trans	-103.6	124.2	172.4	178.7	66.7	0	0	0	108.6	I4 Y34 L35 F40	L2-I4 HydrophobicContact CG-CG1 4.47Å; L2-Y34 HydrophobicContact CD2-CD1 3.76Å; L2-Y34 HydrophobicContact CD2-CE1 3.58Å; L2-L35 HydrophobicContact CB-CD2 4.24Å; L2-L35 HydrophobicContact CD2-CD2 4.13Å; L2-F40 HydrophobicContact CB-CE2 4.45Å; L2-F40 HydrophobicContact CB-CZ 4.42Å
3	S	85.8	Confident	89.3	Confident	101 Å²	101	108.8 Å²	108.8	71%	0.706	58%	0.578	S	S	*	*			trans	-97.9	135.8	173.3	-59.3	0	0	0	0	109.6
4	I	89.3	Confident	89.6	Confident	77 Å²	77	105.9 Å²	105.9	40%	0.395	56%	0.558	S	S	.	*			trans	-118.9	124.1	175.8	-57.6	173.1	0	0	0	107	L2 F14 F27 V31	L2-I4 HydrophobicContact CG-CG1 4.47Å; I4-F14 HydrophobicContact CG2-CE1 4.35Å; I4-F14 HydrophobicContact CG2-CZ 4Å; I4-F27 HydrophobicContact CD1-CE2 4.19Å; I4-F27 HydrophobicContact CD1-CZ 3.78Å; I4-F27 HydrophobicContact CG2-CZ 4.49Å; I4-V31 HydrophobicContact CD1-CG2 3.98Å
5	G	91.2	Very high	89.8	Confident	32 Å²	32	108.7 Å²	108.7	33%	0.33	56%	0.564	S	S	.	*			trans	124.5	-136.3	-179.8	0	0	0	0	0	112.9	F9	G5-F9 WeakPolarHBondContact O-CB 3.34Å
6	G	89.8	Confident	90.3	Very high	55 Å²	55	107.1 Å²	107.1	57%	0.567	56%	0.56	S	S	*	*			trans	92.1	165.6	-171.5	0	0	0	0	0	113	T8 F9	G6-T8 PolarHBondContact O-N 3.41Å; G6-F9 WeakPolarHBondContact O-CB 3.48Å; G6-F9 PolarHBondContact O-N 2.81Å; G6-F9 VanDerWaalsContact O-N 3.08Å
7	W	88.9	Confident	90.6	Very high	252 Å²	252	103.3 Å²	103.3	96%	0.955	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-53.7	-50.1	-174.8	-178.7	-110.8	0	0	0	112.8	F9 G10	W7-F9 PolarHBondContact O-N 3.2Å; W7-F9 VanDerWaalsContact O-N 3.16Å; W7-G10 PolarHBondContact O-N 3.48Å
8	T	92.9	Very high	90.8	Very high	146 Å²	146	100.3 Å²	100.3	90%	0.896	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-62.9	-23.4	-179.3	-47	0	0	0	0	113.6	G6 G10	G6-T8 PolarHBondContact O-N 3.41Å; T8-G10 VanDerWaalsContact C-N 3.32Å
9	F	92.7	Very high	91.1	Very high	78 Å²	78	103.8 Å²	103.8	34%	0.342	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-73.9	-27.5	177.7	-169	-94.7	0	0	0	112.2	G5 G6 W7 K13 F14	G5-F9 WeakPolarHBondContact O-CB 3.34Å; G6-F9 WeakPolarHBondContact O-CB 3.48Å; G6-F9 PolarHBondContact O-N 2.81Å; G6-F9 VanDerWaalsContact O-N 3.08Å; W7-F9 PolarHBondContact O-N 3.2Å; W7-F9 VanDerWaalsContact O-N 3.16Å; F9-K13 HydrophobicContact CE1-CB 3.68Å; F9-K13 HydrophobicContact CE1-CD 4.05Å; F9-K13 HydrophobicContact CE1-CG 4.45Å; F9-K13 HydrophobicContact CE2-CD 3.96Å; F9-K13 HydrophobicContact CZ-CB 3.88Å; F9-K13 HydrophobicContact CZ-CD 3.59Å; F9-K13 HydrophobicContact CZ-CG 4.38Å; F9-F14 AromaticContact CD1-CD2 3.77Å; F9-F14 HydrophobicContact CD1-CD2 3.77Å; F9-F14 AromaticContact CD1-CE2 3.45Å; F9-F14 HydrophobicContact CD1-CE2 3.45Å; F9-F14 VanDerWaalsContact CD1-CE2 3.45Å; F9-F14 HydrophobicContact CD1-CZ 4.27Å; F9-F14 AromaticContact CE1-CD2 3.69Å; F9-F14 HydrophobicContact CE1-CD2 3.69Å; F9-F14 AromaticContact CE1-CE2 3.49Å; F9-F14 HydrophobicContact CE1-CE2 3.49Å; F9-F14 VanDerWaalsContact CE1-CE2 3.49Å; F9-F14 HydrophobicContact CE1-CG 4.35Å; F9-F14 AromaticContact CE1-CZ 3.99Å; F9-F14 HydrophobicContact CE1-CZ 3.99Å
10	G	92.7	Very high	91.3	Very high	35 Å²	35	101.4 Å²	101.4	36%	0.361	53%	0.53	S	S	.	.			trans	64.4	-170.3	-175.9	0	0	0	0	0	113.6	W7 T8	W7-G10 PolarHBondContact O-N 3.48Å; T8-G10 VanDerWaalsContact C-N 3.32Å
11	T	92.5	Very high	91.6	Very high	93 Å²	93	99.6 Å²	99.6	57%	0.571	53%	0.526	S	S	*	.	S	Bend	trans	-106.5	-18.7	-172.4	60.3	0	0	0	0	114.4	K13 F14 K15	T11-K13 PolarHBondContact O-N 3.13Å; T11-F14 PolarHBondContact O-N 2.93Å; T11-K15 WeakPolarHBondContact O-CG 3.38Å; T11-K15 PolarHBondContact O-N 3.35Å
12	R	94.6	Very high	92.7	Very high	208 Å²	208	100.5 Å²	100.5	79%	0.785	53%	0.529	S	S	*	.	H	α-helix	trans	-58.5	-44.4	-171.6	-177	179	172.6	-150.9	-1.5	113.4	K15 T16	R12-K15 PolarHBondContact O-N 2.99Å; R12-T16 PolarHBondContact O-N 3.49Å; R12-T16 VanDerWaalsContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 3.27Å
13	K	93.6	Very high	93.4	Very high	139 Å²	139	99.3 Å²	99.3	60%	0.604	52%	0.523	S	S	*	.	H	α-helix	trans	-65.8	-41.8	179.1	-69.1	179.1	-178.9	176.8	0	111.3	F9 T11 T16 M17	F9-K13 HydrophobicContact CE1-CB 3.68Å; F9-K13 HydrophobicContact CE1-CD 4.05Å; F9-K13 HydrophobicContact CE1-CG 4.45Å; F9-K13 HydrophobicContact CE2-CD 3.96Å; F9-K13 HydrophobicContact CZ-CB 3.88Å; F9-K13 HydrophobicContact CZ-CD 3.59Å; F9-K13 HydrophobicContact CZ-CG 4.38Å; T11-K13 PolarHBondContact O-N 3.13Å; K13-T16 PolarHBondContact O-N 3.42Å; K13-M17 WeakPolarHBondContact O-CB 3.42Å; K13-M17 PolarHBondContact O-N 3.01Å
14	F	93.3	Very high	93.9	Very high	68 Å²	68	99.4 Å²	99.4	30%	0.298	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-43.6	174.7	-78.1	-62.5	0	0	0	112.5	I4 F9 T11 T16 M17 A18	I4-F14 HydrophobicContact CG2-CE1 4.35Å; I4-F14 HydrophobicContact CG2-CZ 4Å; F9-F14 AromaticContact CD1-CD2 3.77Å; F9-F14 HydrophobicContact CD1-CD2 3.77Å; F9-F14 AromaticContact CD1-CE2 3.45Å; F9-F14 HydrophobicContact CD1-CE2 3.45Å; F9-F14 VanDerWaalsContact CD1-CE2 3.45Å; F9-F14 HydrophobicContact CD1-CZ 4.27Å; F9-F14 AromaticContact CE1-CD2 3.69Å; F9-F14 HydrophobicContact CE1-CD2 3.69Å; F9-F14 AromaticContact CE1-CE2 3.49Å; F9-F14 HydrophobicContact CE1-CE2 3.49Å; F9-F14 VanDerWaalsContact CE1-CE2 3.49Å; F9-F14 HydrophobicContact CE1-CG 4.35Å; F9-F14 AromaticContact CE1-CZ 3.99Å; F9-F14 HydrophobicContact CE1-CZ 3.99Å; T11-F14 PolarHBondContact O-N 2.93Å; F14-T16 VanDerWaalsContact C-N 3.27Å; F14-T16 PolarHBondContact O-N 3.43Å; F14-M17 HydrophobicContact CD1-CE 3.82Å; F14-M17 HydrophobicContact CE1-CE 4.31Å; F14-M17 PolarHBondContact O-N 3.46Å; F14-A18 VanDerWaalsContact O-CB 3.26Å; F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 2.88Å
15	K	93.5	Very high	94.3	Very high	148 Å²	148	100.5 Å²	100.5	64%	0.643	51%	0.511	S	S	*	.	H	α-helix	trans	-55.9	-44.9	175	-73.5	-175.7	178.2	-173.4	0	111.3	T11 R12 F19	T11-K15 WeakPolarHBondContact O-CG 3.38Å; T11-K15 PolarHBondContact O-N 3.35Å; R12-K15 PolarHBondContact O-N 2.99Å; K15-F19 WeakPolarHBondContact O-CB 3.31Å; K15-F19 PolarHBondContact O-N 3.35Å; K15-F19 VanDerWaalsContact O-N 3.14Å
16	T	96.5	Very high	94.6	Very high	83 Å²	83	103.2 Å²	103.2	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-46.9	178.4	-52	0	0	0	0	111.8	R12 K13 F14 A18 F19 N23	R12-T16 PolarHBondContact O-N 3.49Å; R12-T16 VanDerWaalsContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 3.27Å; K13-T16 PolarHBondContact O-N 3.42Å; F14-T16 VanDerWaalsContact C-N 3.27Å; F14-T16 PolarHBondContact O-N 3.43Å; T16-A18 PolarHBondContact O-N 3.39Å; T16-F19 WeakPolarHBondContact O-CB 3.5Å; T16-F19 PolarHBondContact O-N 3.29Å; T16-N23 PolarHBondContact O-ND2 3.14Å
17	M	96.5	Very high	94.8	Very high	43 Å²	43	103.7 Å²	103.7	21%	0.212	51%	0.508	C	S	.	.	H	α-helix	trans	-61.9	-41.4	179	-179	-80.9	-69.2	0	0	112.1	K13 F14 N23 R24 F27	K13-M17 WeakPolarHBondContact O-CB 3.42Å; K13-M17 PolarHBondContact O-N 3.01Å; F14-M17 HydrophobicContact CD1-CE 3.82Å; F14-M17 HydrophobicContact CE1-CE 4.31Å; F14-M17 PolarHBondContact O-N 3.46Å; M17-N23 CarbonylContact O-C 3.48Å; M17-N23 WeakPolarHBondContact O-CB 3.42Å; M17-R24 WeakPolarHBondContact O-CG 3.18Å; M17-R24 PolarHBondContact O-N 3.13Å; M17-R24 HydrophobicContact SD-CG 4.19Å; M17-F27 HydrophobicContact CE-CD1 3.8Å; M17-F27 HydrophobicContact CE-CE1 3.88Å; M17-F27 HydrophobicContact CE-CG 4.28Å; M17-F27 HydrophobicContact CE-CZ 4.43Å; M17-F27 HydrophobicContact CG-CB 3.48Å; M17-F27 VanDerWaalsContact CG-CB 3.48Å; M17-F27 HydrophobicContact CG-CD1 4.04Å; M17-F27 HydrophobicContact CG-CD2 4.05Å; M17-F27 HydrophobicContact CG-CG 3.59Å; M17-F27 HydrophobicContact SD-CB 3.86Å; M17-F27 HydrophobicContact SD-CD1 3.59Å; M17-F27 VanDerWaalsContact SD-CD1 3.59Å; M17-F27 HydrophobicContact SD-CE1 4.3Å; M17-F27 HydrophobicContact SD-CG 3.79Å
18	A	94.6	Very high	95	Very high	49 Å²	49	96.1 Å²	96.1	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-79	-17.6	-177.5	0	0	0	0	0	114	F14 T16 N20 R24	F14-A18 VanDerWaalsContact O-CB 3.26Å; F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 2.88Å; T16-A18 PolarHBondContact O-N 3.39Å; A18-N20 VanDerWaalsContact C-N 3.34Å; A18-N20 PolarHBondContact O-N 3.3Å; A18-R24 PolarHBondContact O-NH1 3.21Å
19	F	95.4	Very high	95	Very high	168 Å²	168	95.8 Å²	95.8	74%	0.737	47%	0.472	S	S	*	.	S	Bend	trans	-53.8	-41	-168.2	-175.9	-106.3	0	0	0	114.5	K15 T16	K15-F19 WeakPolarHBondContact O-CB 3.31Å; K15-F19 PolarHBondContact O-N 3.35Å; K15-F19 VanDerWaalsContact O-N 3.14Å; T16-F19 WeakPolarHBondContact O-CB 3.5Å; T16-F19 PolarHBondContact O-N 3.29Å
20	N	95.5	Very high	95.1	Very high	54 Å²	54	94.7 Å²	94.7	29%	0.289	47%	0.474	S	S	.	.	S	Bend	trans	-141.4	170.2	-178.6	68	39.4	0	0	0	111.9	A18 E22 N23 R24	A18-N20 VanDerWaalsContact C-N 3.34Å; A18-N20 PolarHBondContact O-N 3.3Å; N20-E22 VanDerWaalsContact C-N 3.34Å; N20-E22 PolarHBondContact O-N 3.45Å; N20-E22 PolarHBondContact OD1-N 3.44Å; N20-N23 WeakPolarHBondContact OD1-CB 3.35Å; N20-N23 PolarHBondContact OD1-N 3.36Å; N20-N23 PolarHBondContact OD1-OD1 2.89Å; N20-R24 WeakPolarHBondContact O-CG 3.47Å; N20-R24 PolarHBondContact O-N 2.95Å; N20-R24 PolarHBondContact O-NH1 3.24Å
21	S	96.8	Very high	95	Very high	64 Å²	64	94.2 Å²	94.2	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-65	-37.5	-176.9	-169.6	0	0	0	0	112.9	R24 Q25	S21-R24 PolarHBondContact O-N 3.34Å; S21-Q25 WeakPolarHBondContact O-CB 3.37Å; S21-Q25 VanDerWaalsContact O-CG 3.31Å; S21-Q25 WeakPolarHBondContact O-CG 3.41Å; S21-Q25 PolarHBondContact O-N 3.1Å; S21-Q25 PolarHBondContact OG-NE2 2.87Å
22	E	97.7	Very high	94.7	Very high	138 Å²	138	93.2 Å²	93.2	65%	0.645	45%	0.454	S	S	*	.	H	α-helix	trans	-64.9	-48.9	-178.5	-174.8	176.2	-172	0	0	111.6	N20 R24 Q25 T26	N20-E22 VanDerWaalsContact C-N 3.34Å; N20-E22 PolarHBondContact O-N 3.45Å; N20-E22 PolarHBondContact OD1-N 3.44Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 2.89Å; E22-Q25 PolarHBondContact O-N 2.59Å; E22-Q25 VanDerWaalsContact O-N 3.13Å; E22-T26 PolarHBondContact O-N 3.33Å; E22-T26 PolarHBondContact O-OG1 3.42Å; E22-T26 VanDerWaalsContact O-OG1 3.13Å
23	N	97.4	Very high	94.4	Very high	54 Å²	54	87.6 Å²	87.6	29%	0.289	44%	0.437	S	S	.	.	H	α-helix	trans	-59.8	-41.9	177.5	-69.6	-1.9	0	0	0	111.6	T16 M17 N20 T26 F27	T16-N23 PolarHBondContact O-ND2 3.14Å; M17-N23 CarbonylContact O-C 3.48Å; M17-N23 WeakPolarHBondContact O-CB 3.42Å; N20-N23 WeakPolarHBondContact OD1-CB 3.35Å; N20-N23 PolarHBondContact OD1-N 3.36Å; N20-N23 PolarHBondContact OD1-OD1 2.89Å; N23-T26 PolarHBondContact O-N 3.49Å; N23-F27 WeakPolarHBondContact O-CB 3.49Å; N23-F27 PolarHBondContact O-N 3.08Å
24	R	96.9	Very high	94.1	Very high	104 Å²	104	86.3 Å²	86.3	39%	0.392	43%	0.429	S	S	.	.	H	α-helix	trans	-63.2	-44.1	175.3	-69.4	-171.2	-55.7	-98.1	6	111.6	M17 A18 N20 S21 E22 F27 I28	M17-R24 WeakPolarHBondContact O-CG 3.18Å; M17-R24 PolarHBondContact O-N 3.13Å; M17-R24 HydrophobicContact SD-CG 4.19Å; A18-R24 PolarHBondContact O-NH1 3.21Å; N20-R24 WeakPolarHBondContact O-CG 3.47Å; N20-R24 PolarHBondContact O-N 2.95Å; N20-R24 PolarHBondContact O-NH1 3.24Å; S21-R24 PolarHBondContact O-N 3.34Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 2.89Å; R24-F27 PolarHBondContact O-N 2.89Å; R24-I28 WeakPolarHBondContact O-CB 3.26Å; R24-I28 WeakPolarHBondContact O-CD1 3.45Å; R24-I28 VanDerWaalsContact O-CG1 3.22Å; R24-I28 WeakPolarHBondContact O-CG1 3.36Å; R24-I28 PolarHBondContact O-N 2.89Å
25	Q	97	Very high	93.6	Very high	99 Å²	99	84.5 Å²	84.5	46%	0.463	42%	0.422	S	S	.	.	H	α-helix	trans	-63.6	-43.1	177.9	-76.6	179.3	57.1	0	0	112	S21 E22 F27 I28 K29	S21-Q25 WeakPolarHBondContact O-CB 3.37Å; S21-Q25 VanDerWaalsContact O-CG 3.31Å; S21-Q25 WeakPolarHBondContact O-CG 3.41Å; S21-Q25 PolarHBondContact O-N 3.1Å; S21-Q25 PolarHBondContact OG-NE2 2.87Å; E22-Q25 PolarHBondContact O-N 2.59Å; E22-Q25 VanDerWaalsContact O-N 3.13Å; Q25-F27 VanDerWaalsContact C-N 3.34Å; Q25-F27 PolarHBondContact O-N 3.18Å; Q25-I28 PolarHBondContact O-N 3.35Å; Q25-K29 WeakPolarHBondContact O-CB 3.22Å; Q25-K29 WeakPolarHBondContact O-CG 3.48Å; Q25-K29 PolarHBondContact O-N 3.19Å
26	T	97.2	Very high	93.1	Very high	89 Å²	89	87.1 Å²	87.1	55%	0.546	43%	0.428	S	S	.	.	H	α-helix	trans	-59.1	-46.9	175.5	-63.3	0	0	0	0	110.8	E22 N23 K29 S30	E22-T26 PolarHBondContact O-N 3.33Å; E22-T26 PolarHBondContact O-OG1 3.42Å; E22-T26 VanDerWaalsContact O-OG1 3.13Å; N23-T26 PolarHBondContact O-N 3.49Å; T26-K29 PolarHBondContact O-N 3.46Å; T26-S30 PolarHBondContact O-N 2.97Å; T26-S30 PolarHBondContact O-OG 3.33Å
27	F	95.3	Very high	92.6	Very high	66 Å²	66	91.4 Å²	91.4	29%	0.289	44%	0.435	S	S	.	.	H	α-helix	trans	-60.8	-49.1	175.7	177.3	-109.4	0	0	0	112.3	I4 M17 N23 R24 Q25 K29 S30 V31	I4-F27 HydrophobicContact CD1-CE2 4.19Å; I4-F27 HydrophobicContact CD1-CZ 3.78Å; I4-F27 HydrophobicContact CG2-CZ 4.49Å; M17-F27 HydrophobicContact CE-CD1 3.8Å; M17-F27 HydrophobicContact CE-CE1 3.88Å; M17-F27 HydrophobicContact CE-CG 4.28Å; M17-F27 HydrophobicContact CE-CZ 4.43Å; M17-F27 HydrophobicContact CG-CB 3.48Å; M17-F27 VanDerWaalsContact CG-CB 3.48Å; M17-F27 HydrophobicContact CG-CD1 4.04Å; M17-F27 HydrophobicContact CG-CD2 4.05Å; M17-F27 HydrophobicContact CG-CG 3.59Å; M17-F27 HydrophobicContact SD-CB 3.86Å; M17-F27 HydrophobicContact SD-CD1 3.59Å; M17-F27 VanDerWaalsContact SD-CD1 3.59Å; M17-F27 HydrophobicContact SD-CE1 4.3Å; M17-F27 HydrophobicContact SD-CG 3.79Å; N23-F27 WeakPolarHBondContact O-CB 3.49Å; N23-F27 PolarHBondContact O-N 3.08Å; R24-F27 PolarHBondContact O-N 2.89Å; Q25-F27 VanDerWaalsContact C-N 3.34Å; Q25-F27 PolarHBondContact O-N 3.18Å; F27-K29 VanDerWaalsContact C-N 3.34Å; F27-K29 PolarHBondContact O-N 2.89Å; F27-S30 PolarHBondContact O-N 3.33Å; F27-S30 PolarHBondContact O-OG 3.33Å; F27-V31 HydrophobicContact CD1-CG2 4.38Å; F27-V31 HydrophobicContact CD2-CG2 4.1Å; F27-V31 HydrophobicContact CE1-CG2 4.01Å; F27-V31 HydrophobicContact CE2-CG2 3.69Å; F27-V31 HydrophobicContact CG-CG2 4.44Å; F27-V31 HydrophobicContact CZ-CG2 3.65Å; F27-V31 WeakPolarHBondContact O-CG2 3.34Å; F27-V31 PolarHBondContact O-N 2.71Å
28	I	92.5	Very high	91.9	Very high	93 Å²	93	94.7 Å²	94.7	48%	0.477	45%	0.45	S	S	.	.	H	α-helix	trans	-57	-46.7	178.8	-70.8	163.1	0	0	0	111.2	R24 Q25 S30 V31 I32	R24-I28 WeakPolarHBondContact O-CB 3.26Å; R24-I28 WeakPolarHBondContact O-CD1 3.45Å; R24-I28 VanDerWaalsContact O-CG1 3.22Å; R24-I28 WeakPolarHBondContact O-CG1 3.36Å; R24-I28 PolarHBondContact O-N 2.89Å; Q25-I28 PolarHBondContact O-N 3.35Å; I28-S30 PolarHBondContact O-N 3.41Å; I28-V31 PolarHBondContact O-N 3.5Å; I28-I32 HydrophobicContact CG2-CD1 3.83Å; I28-I32 WeakPolarHBondContact O-CG1 3.26Å; I28-I32 PolarHBondContact O-N 2.92Å
29	K	93.9	Very high	90.5	Very high	138 Å²	138	100.2 Å²	100.2	60%	0.6	47%	0.467	S	S	*	.	H	α-helix	trans	-59.7	-47.6	177.5	-73.5	176.3	-177.7	177.3	0	111.3	Q25 T26 F27 V31 I32 E33	Q25-K29 WeakPolarHBondContact O-CB 3.22Å; Q25-K29 WeakPolarHBondContact O-CG 3.48Å; Q25-K29 PolarHBondContact O-N 3.19Å; T26-K29 PolarHBondContact O-N 3.46Å; F27-K29 VanDerWaalsContact C-N 3.34Å; F27-K29 PolarHBondContact O-N 2.89Å; K29-V31 VanDerWaalsContact C-N 3.33Å; K29-V31 PolarHBondContact O-N 3.33Å; K29-I32 PolarHBondContact O-N 3.37Å; K29-E33 WeakPolarHBondContact O-CB 3.48Å; K29-E33 PolarHBondContact O-N 2.93Å
30	S	93.8	Very high	88.8	Confident	56 Å²	56	95.4 Å²	95.4	39%	0.392	45%	0.446	S	S	.	.	H	α-helix	trans	-62.5	-37.7	179	70.4	0	0	0	0	113.1	T26 F27 I28 E33 Y34	T26-S30 PolarHBondContact O-N 2.97Å; T26-S30 PolarHBondContact O-OG 3.33Å; F27-S30 PolarHBondContact O-N 3.33Å; F27-S30 PolarHBondContact O-OG 3.33Å; I28-S30 PolarHBondContact O-N 3.41Å; S30-E33 PolarHBondContact O-N 3.02Å; S30-Y34 VanDerWaalsContact O-CB 3.26Å; S30-Y34 WeakPolarHBondContact O-CB 3.43Å; S30-Y34 PolarHBondContact O-N 3.31Å
31	V	89.9	Confident	86.7	Confident	24 Å²	24	97.1 Å²	97.1	15%	0.145	46%	0.455	C	S	.	.	H	α-helix	trans	-68.3	-44.7	178	168.4	0	0	0	0	110.6	I4 F27 I28 K29 E33 Y34 L35	I4-V31 HydrophobicContact CD1-CG2 3.98Å; F27-V31 HydrophobicContact CD1-CG2 4.38Å; F27-V31 HydrophobicContact CD2-CG2 4.1Å; F27-V31 HydrophobicContact CE1-CG2 4.01Å; F27-V31 HydrophobicContact CE2-CG2 3.69Å; F27-V31 HydrophobicContact CG-CG2 4.44Å; F27-V31 HydrophobicContact CZ-CG2 3.65Å; F27-V31 WeakPolarHBondContact O-CG2 3.34Å; F27-V31 PolarHBondContact O-N 2.71Å; I28-V31 PolarHBondContact O-N 3.5Å; K29-V31 VanDerWaalsContact C-N 3.33Å; K29-V31 PolarHBondContact O-N 3.33Å; V31-E33 VanDerWaalsContact C-N 3.33Å; V31-E33 PolarHBondContact O-N 2.84Å; V31-Y34 PolarHBondContact O-N 3.08Å; V31-L35 HydrophobicContact CG1-CD1 3.73Å; V31-L35 HydrophobicContact CG1-CG 4.2Å; V31-L35 WeakPolarHBondContact O-CB 3.35Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 3.16Å
32	I	85.9	Confident	84.9	Confident	73 Å²	73	103.4 Å²	103.4	37%	0.374	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-45.5	176.7	-68.5	167.9	0	0	0	110.5	I28 K29 L35 R36	I28-I32 HydrophobicContact CG2-CD1 3.83Å; I28-I32 WeakPolarHBondContact O-CG1 3.26Å; I28-I32 PolarHBondContact O-N 2.92Å; K29-I32 PolarHBondContact O-N 3.37Å; I32-L35 PolarHBondContact O-N 3.08Å; I32-R36 WeakPolarHBondContact O-CB 3.29Å; I32-R36 VanDerWaalsContact O-CG 3.29Å; I32-R36 WeakPolarHBondContact O-CG 3.45Å; I32-R36 PolarHBondContact O-N 2.88Å
33	E	89.2	Confident	82.8	Confident	89 Å²	89	102.6 Å²	102.6	42%	0.416	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-46.1	177.1	-175.9	179	169.8	0	0	111.9	K29 S30 V31 R36 R37	K29-E33 WeakPolarHBondContact O-CB 3.48Å; K29-E33 PolarHBondContact O-N 2.93Å; S30-E33 PolarHBondContact O-N 3.02Å; V31-E33 VanDerWaalsContact C-N 3.33Å; V31-E33 PolarHBondContact O-N 2.84Å; E33-R36 PolarHBondContact O-N 3.47Å; E33-R37 WeakPolarHBondContact O-CB 3.21Å; E33-R37 WeakPolarHBondContact O-CG 3.26Å; E33-R37 PolarHBondContact O-N 3.26Å; E33-R37 IonicContact OE1-CZ 2.92Å; E33-R37 IonicContact OE1-NE 3.74Å; E33-R37 IonicContact OE1-NH1 3.1Å; E33-R37 PolarHBondContact OE1-NH1 3.01Å; E33-R37 VanDerWaalsContact OE1-NH1 3.1Å; E33-R37 IonicContact OE1-NH2 2.59Å; E33-R37 PolarHBondContact OE1-NH2 3.39Å
34	Y	88.4	Confident	80.8	Confident	113 Å²	113	109.5 Å²	109.5	44%	0.443	51%	0.505	S	S	.	.	H	α-helix	trans	-60.1	-48.1	176.9	-175.2	-86.8	0	0	0	112	L2 S30 V31 R36 R37 H38	L2-Y34 HydrophobicContact CD2-CD1 3.76Å; L2-Y34 HydrophobicContact CD2-CE1 3.58Å; S30-Y34 VanDerWaalsContact O-CB 3.26Å; S30-Y34 WeakPolarHBondContact O-CB 3.43Å; S30-Y34 PolarHBondContact O-N 3.31Å; V31-Y34 PolarHBondContact O-N 3.08Å; Y34-R36 VanDerWaalsContact C-N 3.33Å; Y34-R36 PolarHBondContact O-N 3.44Å; Y34-R37 PolarHBondContact O-N 3.05Å; Y34-H38 AromaticContact CD2-CD2 3.61Å; Y34-H38 AromaticContact CD2-NE2 3.85Å; Y34-H38 AromaticContact CE1-CD2 3.83Å; Y34-H38 AromaticContact CE2-CD2 3.43Å; Y34-H38 VanDerWaalsContact CE2-CD2 3.43Å; Y34-H38 WeakPolarHBondContact CE2-CD2 3.4Å; Y34-H38 AromaticContact CE2-NE2 3.52Å; Y34-H38 AromaticContact CG-CD2 3.9Å; Y34-H38 AromaticContact CZ-CD2 3.55Å; Y34-H38 AromaticContact CZ-NE2 3.98Å; Y34-H38 PolarHBondContact O-CD2 2.83Å; Y34-H38 VanDerWaalsContact O-CD2 3.31Å; Y34-H38 PolarHBondContact O-N 3.03Å; Y34-H38 VanDerWaalsContact O-N 3.08Å
35	L	82.6	Confident	78.8	Confident	30 Å²	30	110.6 Å²	110.6	16%	0.157	51%	0.513	C	S	.	.	H	α-helix	trans	-63.8	-37.8	-179.4	-69.2	173.2	0	0	0	112.1	L2 V31 I32 F40	L2-L35 HydrophobicContact CB-CD2 4.24Å; L2-L35 HydrophobicContact CD2-CD2 4.13Å; V31-L35 HydrophobicContact CG1-CD1 3.73Å; V31-L35 HydrophobicContact CG1-CG 4.2Å; V31-L35 WeakPolarHBondContact O-CB 3.35Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 3.16Å; I32-L35 PolarHBondContact O-N 3.08Å; L35-F40 HydrophobicContact CB-CD2 4.37Å; L35-F40 HydrophobicContact CD2-CD2 3.51Å; L35-F40 HydrophobicContact CD2-CE2 3.55Å; L35-F40 HydrophobicContact CD2-CG 4.35Å; L35-F40 HydrophobicContact CD2-CZ 4.44Å; L35-F40 PolarHBondContact O-N 3.28Å
36	R	82.6	Confident	76.9	Confident	202 Å²	202	110.8 Å²	110.8	76%	0.762	53%	0.525	S	S	*	.	H	α-helix	trans	-68.2	-38	175.5	-74.3	177.2	178.5	179.9	-0.5	112.6	I32 E33 Y34	I32-R36 WeakPolarHBondContact O-CB 3.29Å; I32-R36 VanDerWaalsContact O-CG 3.29Å; I32-R36 WeakPolarHBondContact O-CG 3.45Å; I32-R36 PolarHBondContact O-N 2.88Å; E33-R36 PolarHBondContact O-N 3.47Å; Y34-R36 VanDerWaalsContact C-N 3.33Å; Y34-R36 PolarHBondContact O-N 3.44Å
37	R	85.7	Confident	75.2	Confident	173 Å²	173	111.8 Å²	111.8	65%	0.653	52%	0.524	S	S	*	.	H	α-helix	trans	-72.8	-36	-178.6	-78.3	-179.7	175.4	167.4	5.2	113.8	E33 Y34 E39	E33-R37 WeakPolarHBondContact O-CB 3.21Å; E33-R37 WeakPolarHBondContact O-CG 3.26Å; E33-R37 PolarHBondContact O-N 3.26Å; E33-R37 IonicContact OE1-CZ 2.92Å; E33-R37 IonicContact OE1-NE 3.74Å; E33-R37 IonicContact OE1-NH1 3.1Å; E33-R37 PolarHBondContact OE1-NH1 3.01Å; E33-R37 VanDerWaalsContact OE1-NH1 3.1Å; E33-R37 IonicContact OE1-NH2 2.59Å; E33-R37 PolarHBondContact OE1-NH2 3.39Å; Y34-R37 PolarHBondContact O-N 3.05Å; R37-E39 VanDerWaalsContact C-N 3.31Å; R37-E39 PolarHBondContact O-N 3.43Å
38	H	82.1	Confident	73.8	Confident	112 Å²	112	110.9 Å²	110.9	52%	0.519	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	34.1	-174.4	-66.6	-71.1	0	0	0	112.8	Y34 F40	Y34-H38 AromaticContact CD2-CD2 3.61Å; Y34-H38 AromaticContact CD2-NE2 3.85Å; Y34-H38 AromaticContact CE1-CD2 3.83Å; Y34-H38 AromaticContact CE2-CD2 3.43Å; Y34-H38 VanDerWaalsContact CE2-CD2 3.43Å; Y34-H38 WeakPolarHBondContact CE2-CD2 3.4Å; Y34-H38 AromaticContact CE2-NE2 3.52Å; Y34-H38 AromaticContact CG-CD2 3.9Å; Y34-H38 AromaticContact CZ-CD2 3.55Å; Y34-H38 AromaticContact CZ-NE2 3.98Å; Y34-H38 PolarHBondContact O-CD2 2.83Å; Y34-H38 VanDerWaalsContact O-CD2 3.31Å; Y34-H38 PolarHBondContact O-N 3.03Å; Y34-H38 VanDerWaalsContact O-N 3.08Å; H38-F40 PolarHBondContact O-N 3.24Å
39	E	65.6	Low	73	Confident	165 Å²	165	110.6 Å²	110.6	77%	0.771	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	48	167.7	-60.3	179.6	160.7	0	0	114.5	R37 D41	R37-E39 VanDerWaalsContact C-N 3.31Å; R37-E39 PolarHBondContact O-N 3.43Å; E39-D41 PolarHBondContact O-N 3.35Å
40	F	58.1	Low	72.1	Confident	68 Å²	68	106.6 Å²	106.6	30%	0.298	50%	0.504	S	S	.	.			trans	-71.6	79.1	145.3	-76.1	-83.7	0	0	0	107.4	L2 L35 H38 K45	L2-F40 HydrophobicContact CB-CE2 4.45Å; L2-F40 HydrophobicContact CB-CZ 4.42Å; L35-F40 HydrophobicContact CB-CD2 4.37Å; L35-F40 HydrophobicContact CD2-CD2 3.51Å; L35-F40 HydrophobicContact CD2-CE2 3.55Å; L35-F40 HydrophobicContact CD2-CG 4.35Å; L35-F40 HydrophobicContact CD2-CZ 4.44Å; L35-F40 PolarHBondContact O-N 3.28Å; H38-F40 PolarHBondContact O-N 3.24Å; F40-K45 HydrophobicContact CB-CB 4.12Å; F40-K45 HydrophobicContact CD1-CB 3.88Å; F40-K45 HydrophobicContact CD1-CD 3.68Å; F40-K45 HydrophobicContact CD1-CG 4.39Å; F40-K45 HydrophobicContact CE1-CD 4.39Å
41	D	52.9	Low	71.4	Confident	89 Å²	89	106.4 Å²	106.4	48%	0.476	50%	0.499	S	S	.	.			trans	-13.9	135.1	-178	-135.2	-28.8	0	0	0	115.8	E39 N43	E39-D41 PolarHBondContact O-N 3.35Å; D41-N43 CarbonylContact O-C 3.48Å; D41-N43 PolarHBondContact O-N 2.87Å
42	E	57.4	Low	70.8	Confident	196 Å²	196	109.7 Å²	109.7	92%	0.916	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-4.9	178.1	-45.2	-172.5	-171.3	0	0	112.3
43	N	55.5	Low	70.5	Confident	122 Å²	122	108.3 Å²	108.3	65%	0.652	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	100.6	170.9	-62.3	-70.2	0	0	0	111.4	D41	D41-N43 CarbonylContact O-C 3.48Å; D41-N43 PolarHBondContact O-N 2.87Å
44	K	54.9	Low	70	Confident	198 Å²	198	108.5 Å²	108.5	86%	0.861	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	14.4	152	-53.6	-173.5	179.2	176.8	0	120.7	S46	K44-S46 PolarHBondContact O-N 3.38Å
45	K	53.8	Low	69.1	Low	128 Å²	128	109 Å²	109	56%	0.557	52%	0.519	S	S	*	.			trans	-90.5	83.3	167.7	-67	-176.8	-170.8	164.2	0	111	F40	F40-K45 HydrophobicContact CB-CB 4.12Å; F40-K45 HydrophobicContact CD1-CB 3.88Å; F40-K45 HydrophobicContact CD1-CD 3.68Å; F40-K45 HydrophobicContact CD1-CG 4.39Å; F40-K45 HydrophobicContact CE1-CD 4.39Å
46	S	58.1	Low	68.3	Low	102 Å²	102	110.3 Å²	110.3	71%	0.713	53%	0.531	S	S	*	.			trans	-59	139.9	169.3	-66.2	0	0	0	0	110.3	K44 V48	K44-S46 PolarHBondContact O-N 3.38Å; S46-V48 PolarHBondContact O-N 2.78Å
47	M	60.7	Low	67.6	Low	110 Å²	110	102.2 Å²	102.2	54%	0.542	50%	0.503	S	S	.	.			trans	-60	103.3	166.1	176.7	179.1	63.2	0	0	107.6	K49	M47-K49 HydrophobicContact CE-CD 4.27Å; M47-K49 VanDerWaalsContact CE-CE 3.49Å; M47-K49 HydrophobicContact CE-CG 3.9Å; M47-K49 HydrophobicContact CG-CG 4.3Å; M47-K49 PolarHBondContact O-N 3.36Å
48	V	66.3	Low	66.5	Low	48 Å²	48	96.6 Å²	96.6	29%	0.291	49%	0.489	S	S	.	.			trans	-77.7	114.3	170.8	173.5	0	0	0	0	107.1	M1 S46 L50 D77 F78	M1-V48 HydrophobicContact CE-CB 3.34Å; M1-V48 HydrophobicContact CE-CG1 3.33Å; M1-V48 HydrophobicContact CE-CG2 4.44Å; M1-V48 VanDerWaalsContact CE-O 3.28Å; M1-V48 WeakPolarHBondContact CE-O 3.34Å; M1-V48 HydrophobicContact CG-CB 4.38Å; M1-V48 HydrophobicContact SD-CB 3.85Å; M1-V48 HydrophobicContact SD-CG1 3.84Å; M1-V48 HydrophobicContact SD-CG2 4.39Å; S46-V48 PolarHBondContact O-N 2.78Å; V48-L50 HydrophobicContact CG1-CD2 3.73Å; V48-L50 HydrophobicContact CG1-CG 4.21Å; V48-D77 VanDerWaalsContact CA-OD2 3.3Å; V48-D77 WeakPolarHBondContact CA-OD2 2.93Å; V48-D77 HydrophobicContact CG1-CB 3.97Å; V48-F78 HydrophobicContact CB-CE1 4.45Å; V48-F78 HydrophobicContact CG1-CD1 3.69Å; V48-F78 HydrophobicContact CG1-CE1 3.09Å; V48-F78 HydrophobicContact CG1-CZ 3.71Å
49	K	74.9	Confident	65.3	Low	87 Å²	87	97.2 Å²	97.2	38%	0.378	49%	0.492	S	S	.	.			trans	-86.3	115.5	-177.4	-67	167.5	-179.2	171.7	0	109.2	M47 L75 L76 D77	M47-K49 HydrophobicContact CE-CD 4.27Å; M47-K49 VanDerWaalsContact CE-CE 3.49Å; M47-K49 HydrophobicContact CE-CG 3.9Å; M47-K49 HydrophobicContact CG-CG 4.3Å; M47-K49 PolarHBondContact O-N 3.36Å; K49-L75 WeakPolarHBondContact CD-O 3.41Å; K49-L75 PolarHBondContact NZ-O 3.3Å; K49-L76 HydrophobicContact CB-CD2 3.87Å; K49-D77 PolarHBondContact N-OD2 3.42Å; K49-D77 PolarHBondContact O-N 3.05Å; K49-D77 VanDerWaalsContact O-N 3.14Å
50	L	75.6	Confident	64.9	Low	53 Å²	53	94.9 Å²	94.9	28%	0.277	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.5	-180	-57.7	-172.7	0	0	0	111.6	M1 V48 F78 N80	M1-L50 HydrophobicContact CE-CD1 3.13Å; M1-L50 HydrophobicContact CE-CD2 4.03Å; M1-L50 HydrophobicContact CE-CG 3.35Å; M1-L50 HydrophobicContact SD-CD1 4.07Å; V48-L50 HydrophobicContact CG1-CD2 3.73Å; V48-L50 HydrophobicContact CG1-CG 4.21Å; L50-F78 HydrophobicContact CD1-CE2 3.71Å; L50-F78 HydrophobicContact CD1-CZ 3.96Å; L50-F78 HydrophobicContact CD2-CD1 3.7Å; L50-F78 HydrophobicContact CD2-CD2 3.16Å; L50-F78 HydrophobicContact CD2-CE1 3.66Å; L50-F78 HydrophobicContact CD2-CE2 3.06Å; L50-F78 HydrophobicContact CD2-CG 3.48Å; L50-F78 VanDerWaalsContact CD2-CG 3.48Å; L50-F78 HydrophobicContact CD2-CZ 3.34Å; L50-F78 WeakPolarHBondContact CD2-O 3.47Å; L50-F78 HydrophobicContact CG-CD2 4.43Å; L50-F78 HydrophobicContact CG-CE2 4.02Å; L50-F78 HydrophobicContact CG-CZ 4.21Å; L50-N80 WeakPolarHBondContact CD1-ND2 3.44Å
51	L	79.1	Confident	64.8	Low	53 Å²	53	101.9 Å²	101.9	28%	0.277	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.7	158.2	-177	63.9	0	0	0	108.2	V53 F68 F73 L76 I79 N80	L51-V53 HydrophobicContact CD2-CG2 3.98Å; L51-V53 HydrophobicContact CG-CG2 4.05Å; L51-F68 HydrophobicContact CD2-CE1 4.4Å; L51-F73 HydrophobicContact CD2-CE1 4.23Å; L51-L76 HydrophobicContact CB-CD1 3.37Å; L51-L76 HydrophobicContact CB-CD2 4.34Å; L51-L76 HydrophobicContact CB-CG 4.5Å; L51-L76 HydrophobicContact CD2-CD1 4.11Å; L51-L76 HydrophobicContact CG-CD1 4.39Å; L51-I79 WeakPolarHBondContact O-CA 3.45Å; L51-I79 WeakPolarHBondContact O-CG2 3.46Å; L51-N80 PolarHBondContact O-N 2.86Å
52	Q	78.1	Confident	65.1	Low	93 Å²	93	104.8 Å²	104.8	44%	0.435	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.1	167.6	-73.5	-178.8	-62.8	0	0	109	N80 M82	Q52-N80 VanDerWaalsContact CA-O 3.25Å; Q52-N80 WeakPolarHBondContact CA-O 3.28Å; Q52-N80 HydrophobicContact CG-CB 3.9Å; Q52-M82 HydrophobicContact CB-CE 3.7Å; Q52-M82 HydrophobicContact CB-CG 3.97Å; Q52-M82 HydrophobicContact CB-SD 3.72Å; Q52-M82 HydrophobicContact CG-CG 4.33Å; Q52-M82 HydrophobicContact CG-SD 4.17Å
53	V	78.9	Confident	65	Low	43 Å²	43	99.9 Å²	99.9	26%	0.261	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.2	178.9	178	0	0	0	0	108.5	L51 I79 N80 L81 M82	L51-V53 HydrophobicContact CD2-CG2 3.98Å; L51-V53 HydrophobicContact CG-CG2 4.05Å; V53-I79 HydrophobicContact CB-CG2 4.31Å; V53-I79 HydrophobicContact CG2-CG2 3.7Å; V53-N80 PolarHBondContact N-O 2.76Å; V53-N80 VanDerWaalsContact N-O 3.09Å; V53-L81 HydrophobicContact CB-CD1 4.38Å; V53-L81 HydrophobicContact CG1-CD1 4.47Å; V53-M82 PolarHBondContact O-N 3.25Å
54	V	78	Confident	65	Low	93 Å²	93	101 Å²	101	56%	0.564	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.2	172.3	-178.2	0	0	0	0	108.5	M82	V54-M82 HydrophobicContact CB-CE 4.42Å; V54-M82 HydrophobicContact CG2-CE 3.21Å
55	K	70.6	Confident	65.2	Low	123 Å²	123	98.3 Å²	98.3	54%	0.535	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-92.9	129.5	163.5	-178.7	162	172.3	56.6	0	108.3	M82 F86	K55-M82 PolarHBondContact N-O 3.47Å; K55-F86 HydrophobicContact CB-CZ 4.08Å; K55-F86 HydrophobicContact CD-CZ 4.24Å; K55-F86 HydrophobicContact CG-CE1 4.34Å; K55-F86 HydrophobicContact CG-CZ 3.93Å
56	S	65.6	Low	65.4	Low	58 Å²	58	101.3 Å²	101.3	41%	0.406	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-74.9	151.4	174.8	57.9	0	0	0	0	111.7	L60 F86	S56-L60 WeakPolarHBondContact CB-O 3.25Å; S56-L60 PolarHBondContact OG-O 3.42Å; S56-F86 WeakPolarHBondContact O-CE1 3.41Å
57	D	67	Low	65.4	Low	33 Å²	33	101.3 Å²	101.3	18%	0.176	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-57.4	150.4	166.8	-176.2	28.1	0	0	0	110.6	Q59 L60 F86	D57-Q59 PolarHBondContact O-N 3.43Å; D57-Q59 VanDerWaalsContact O-N 3.12Å; D57-L60 CarbonylContact O-C 3.4Å; D57-L60 PolarHBondContact O-N 3.21Å; D57-F86 HydrophobicContact CB-CD1 3.97Å
58	C	63.8	Low	65.3	Low	54 Å²	54	101.1 Å²	101.1	37%	0.365	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.8	-174.8	127	0	0	0	0	113.1	C106	C58-C106 HydrophobicContact CB-CB 4.07Å; C58-C106 WeakPolarHBondContact CB-SG 3.49Å; C58-C106 WeakPolarHBondContact SG-CA 2.85Å; C58-C106 WeakPolarHBondContact SG-CB 3.38Å; C58-C106 PolarHBondContact SG-O 3.01Å; C58-C106 VanDerWaalsContact SG-O 3.42Å; C58-C106 CovalentContact SG-SG 2.01Å; C58-C106 PolarHBondContact SG-SG 2.9Å
59	Q	56.5	Low	65.1	Low	126 Å²	126	104.3 Å²	104.3	59%	0.589	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-25.8	169.1	-59.2	-166.6	15.7	0	0	113.4	D57	D57-Q59 PolarHBondContact O-N 3.43Å; D57-Q59 VanDerWaalsContact O-N 3.12Å
60	L	56.8	Low	64.8	Low	115 Å²	115	106.4 Å²	106.4	60%	0.602	53%	0.534	S	S	*	.			trans	-109.3	72.5	179.8	-66.9	173.8	0	0	0	109.4	S56 D57 E62	S56-L60 WeakPolarHBondContact CB-O 3.25Å; S56-L60 PolarHBondContact OG-O 3.42Å; D57-L60 CarbonylContact O-C 3.4Å; D57-L60 PolarHBondContact O-N 3.21Å; L60-E62 PolarHBondContact O-N 3.31Å; L60-E62 VanDerWaalsContact O-N 3.08Å
61	R	55.6	Low	64.8	Low	216 Å²	216	108.1 Å²	108.1	82%	0.815	55%	0.547	S	S	*	.			trans	-83.2	68.8	169.7	-167.8	177.6	176.1	164.6	-2.7	109.6
62	E	59.5	Low	64.6	Low	149 Å²	149	112.2 Å²	112.2	70%	0.696	56%	0.56	S	S	*	*			trans	-70.3	124.1	157.6	-68.1	-60.8	152.4	0	0	107.1	L60 L64	L60-E62 PolarHBondContact O-N 3.31Å; L60-E62 VanDerWaalsContact O-N 3.08Å; E62-L64 PolarHBondContact O-N 2.85Å
63	P	55.2	Low	64.4	Low	93 Å²	93	111.4 Å²	111.4	60%	0.604	56%	0.555	S	S	*	*			trans	-56.4	134.9	168.6	23.7	-29.5	0	0	0	107.4	D65	P63-D65 HydrophobicContact CB-CB 4.3Å; P63-D65 HydrophobicContact CG-CB 4.39Å; P63-D65 PolarHBondContact O-N 3.04Å
64	L	56	Low	64.6	Low	147 Å²	147	120 Å²	120	77%	0.77	58%	0.583	S	S	*	*			trans	-67.3	67.2	166.5	-76.5	166.4	0	0	0	108.1	E62 Y66	E62-L64 PolarHBondContact O-N 2.85Å; L64-Y66 PolarHBondContact O-N 3.32Å
65	D	58.1	Low	64.8	Low	141 Å²	141	120.3 Å²	120.3	75%	0.754	58%	0.581	S	S	*	*			trans	-96.4	31.5	179.8	-148.2	18.4	0	0	0	110.4	P63	P63-D65 HydrophobicContact CB-CB 4.3Å; P63-D65 HydrophobicContact CG-CB 4.39Å; P63-D65 PolarHBondContact O-N 3.04Å
66	Y	58.7	Low	65.4	Low	190 Å²	190	116.6 Å²	116.6	75%	0.745	57%	0.566	S	S	*	*	S	Bend	trans	-86	129.1	155.9	-98.3	-92.8	0	0	0	106.8	L64 F68	L64-Y66 PolarHBondContact O-N 3.32Å; Y66-F68 PolarHBondContact O-N 3.26Å
67	P	57.6	Low	66.4	Low	102 Å²	102	118.8 Å²	118.8	66%	0.662	57%	0.573	S	S	*	*			trans	-70.3	73.1	175.5	29.7	-34.5	0	0	0	109.4	H69	P67-H69 PolarHBondContact O-N 2.69Å; P67-H69 PolarHBondContact O-ND1 2.66Å
68	F	58.3	Low	67.3	Low	107 Å²	107	121.5 Å²	121.5	47%	0.469	58%	0.584	S	S	.	*			trans	-61.5	93	158.3	-85.3	-81.6	0	0	0	105.5	L51 Y66 L70	L51-F68 HydrophobicContact CD2-CE1 4.4Å; Y66-F68 PolarHBondContact O-N 3.26Å; F68-L70 PolarHBondContact O-N 3.24Å
69	H	63.1	Low	68.3	Low	114 Å²	114	122.6 Å²	122.6	53%	0.528	59%	0.585	S	S	.	*			trans	-55	117.9	171.5	-82.2	62.2	0	0	0	106.4	P67 T71 Y72	P67-H69 PolarHBondContact O-N 2.69Å; P67-H69 PolarHBondContact O-ND1 2.66Å; H69-T71 PolarHBondContact O-N 3.43Å; H69-Y72 HydrophobicContact CB-CD2 3.96Å; H69-Y72 HydrophobicContact CB-CE2 3.88Å; H69-Y72 VanDerWaalsContact O-CD2 3.26Å; H69-Y72 WeakPolarHBondContact O-CD2 3.3Å; H69-Y72 PolarHBondContact O-N 2.99Å
70	L	68.2	Low	69.8	Low	131 Å²	131	119.6 Å²	119.6	69%	0.686	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-52.3	-19.3	-179.4	-63.8	175.3	0	0	0	112.3	F68 Y72 F73	F68-L70 PolarHBondContact O-N 3.24Å; L70-Y72 VanDerWaalsContact C-N 3.26Å; L70-Y72 PolarHBondContact O-N 2.83Å; L70-F73 HydrophobicContact CD2-CD2 3.89Å; L70-F73 HydrophobicContact CD2-CE2 3.88Å; L70-F73 PolarHBondContact O-N 2.91Å
71	T	75.2	Confident	71.2	Confident	90 Å²	90	118.8 Å²	118.8	55%	0.552	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-49.2	-39.4	168	-43	0	0	0	0	113.8	H69 F73 R74	H69-T71 PolarHBondContact O-N 3.43Å; T71-F73 VanDerWaalsContact C-N 3.31Å; T71-F73 PolarHBondContact O-N 3.22Å; T71-R74 WeakPolarHBondContact O-CB 3.5Å; T71-R74 PolarHBondContact O-N 2.78Å
72	Y	75	Confident	72.7	Confident	139 Å²	139	110.4 Å²	110.4	55%	0.545	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-66.5	-33.8	-178.7	-66.8	-64.7	0	0	0	112.5	H69 L70 R74 L75	H69-Y72 HydrophobicContact CB-CD2 3.96Å; H69-Y72 HydrophobicContact CB-CE2 3.88Å; H69-Y72 VanDerWaalsContact O-CD2 3.26Å; H69-Y72 WeakPolarHBondContact O-CD2 3.3Å; H69-Y72 PolarHBondContact O-N 2.99Å; L70-Y72 VanDerWaalsContact C-N 3.26Å; L70-Y72 PolarHBondContact O-N 2.83Å; Y72-R74 PolarHBondContact O-N 3.14Å; Y72-L75 HydrophobicContact CD1-CD1 4.46Å; Y72-L75 WeakPolarHBondContact O-CB 3.2Å; Y72-L75 PolarHBondContact O-N 3.08Å
73	F	75.7	Confident	74	Confident	75 Å²	75	106 Å²	106	33%	0.329	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-64.1	-27.3	178.2	-63.7	-56.4	0	0	0	112.4	L51 L70 T71 L75 L76 I79	L51-F73 HydrophobicContact CD2-CE1 4.23Å; L70-F73 HydrophobicContact CD2-CD2 3.89Å; L70-F73 HydrophobicContact CD2-CE2 3.88Å; L70-F73 PolarHBondContact O-N 2.91Å; T71-F73 VanDerWaalsContact C-N 3.31Å; T71-F73 PolarHBondContact O-N 3.22Å; F73-L75 PolarHBondContact O-N 2.78Å; F73-L76 HydrophobicContact CD1-CD1 4.42Å; F73-L76 PolarHBondContact O-N 3.06Å; F73-I79 HydrophobicContact CD1-CD1 3.47Å; F73-I79 VanDerWaalsContact CD1-CD1 3.47Å; F73-I79 HydrophobicContact CD1-CG1 4.48Å; F73-I79 HydrophobicContact CE1-CD1 3.73Å; F73-I79 HydrophobicContact CG-CD1 4.48Å
74	R	81.5	Confident	75.5	Confident	224 Å²	224	106.3 Å²	106.3	85%	0.845	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-70.8	-16.2	175.5	-59.4	-172.7	178.8	-155.3	-0.3	113.7	T71 Y72	T71-R74 WeakPolarHBondContact O-CB 3.5Å; T71-R74 PolarHBondContact O-N 2.78Å; Y72-R74 PolarHBondContact O-N 3.14Å
75	L	84	Confident	77.1	Confident	100 Å²	100	104 Å²	104	52%	0.524	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-90.5	-12	-178.9	-61.9	176.5	0	0	0	112.8	K49 Y72 F73	K49-L75 WeakPolarHBondContact CD-O 3.41Å; K49-L75 PolarHBondContact NZ-O 3.3Å; Y72-L75 HydrophobicContact CD1-CD1 4.46Å; Y72-L75 WeakPolarHBondContact O-CB 3.2Å; Y72-L75 PolarHBondContact O-N 3.08Å; F73-L75 PolarHBondContact O-N 2.78Å
76	L	83.1	Confident	78.2	Confident	44 Å²	44	98.4 Å²	98.4	23%	0.23	47%	0.473	C	S	.	.			trans	-98.7	147.2	-176	-58.8	172.1	0	0	0	110.4	K49 L51 F73 I79	K49-L76 HydrophobicContact CB-CD2 3.87Å; L51-L76 HydrophobicContact CB-CD1 3.37Å; L51-L76 HydrophobicContact CB-CD2 4.34Å; L51-L76 HydrophobicContact CB-CG 4.5Å; L51-L76 HydrophobicContact CD2-CD1 4.11Å; L51-L76 HydrophobicContact CG-CD1 4.39Å; F73-L76 HydrophobicContact CD1-CD1 4.42Å; F73-L76 PolarHBondContact O-N 3.06Å; L76-I79 HydrophobicContact CD1-CG1 4.13Å
77	D	86.5	Confident	79.4	Confident	104 Å²	104	91.5 Å²	91.5	56%	0.556	45%	0.446	S	S	*	.	S	Bend	trans	-81.2	-40	175.8	-60.2	-78.2	0	0	0	111.1	V48 K49	V48-D77 VanDerWaalsContact CA-OD2 3.3Å; V48-D77 WeakPolarHBondContact CA-OD2 2.93Å; V48-D77 HydrophobicContact CG1-CB 3.97Å; K49-D77 PolarHBondContact N-OD2 3.42Å; K49-D77 PolarHBondContact O-N 3.05Å; K49-D77 VanDerWaalsContact O-N 3.14Å
78	F	85.3	Confident	80.9	Confident	91 Å²	91	87.9 Å²	87.9	40%	0.399	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	169.3	169.9	57.1	-90.1	0	0	0	111.1	M1 V48 L50 N80	M1-F78 HydrophobicContact CE-CZ 4.36Å; M1-F78 HydrophobicContact SD-CZ 4.03Å; V48-F78 HydrophobicContact CB-CE1 4.45Å; V48-F78 HydrophobicContact CG1-CD1 3.69Å; V48-F78 HydrophobicContact CG1-CE1 3.09Å; V48-F78 HydrophobicContact CG1-CZ 3.71Å; L50-F78 HydrophobicContact CD1-CE2 3.71Å; L50-F78 HydrophobicContact CD1-CZ 3.96Å; L50-F78 HydrophobicContact CD2-CD1 3.7Å; L50-F78 HydrophobicContact CD2-CD2 3.16Å; L50-F78 HydrophobicContact CD2-CE1 3.66Å; L50-F78 HydrophobicContact CD2-CE2 3.06Å; L50-F78 HydrophobicContact CD2-CG 3.48Å; L50-F78 VanDerWaalsContact CD2-CG 3.48Å; L50-F78 HydrophobicContact CD2-CZ 3.34Å; L50-F78 WeakPolarHBondContact CD2-O 3.47Å; L50-F78 HydrophobicContact CG-CD2 4.43Å; L50-F78 HydrophobicContact CG-CE2 4.02Å; L50-F78 HydrophobicContact CG-CZ 4.21Å; F78-N80 WeakPolarHBondContact CD2-OD1 3.32Å; F78-N80 VanDerWaalsContact CE2-OD1 3.24Å; F78-N80 WeakPolarHBondContact CE2-OD1 3.08Å
79	I	85	Confident	82.4	Confident	76 Å²	76	88.9 Å²	88.9	39%	0.39	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.4	178.9	-59.2	168.3	0	0	0	107.3	L51 V53 F73 L76	L51-I79 WeakPolarHBondContact O-CA 3.45Å; L51-I79 WeakPolarHBondContact O-CG2 3.46Å; V53-I79 HydrophobicContact CB-CG2 4.31Å; V53-I79 HydrophobicContact CG2-CG2 3.7Å; F73-I79 HydrophobicContact CD1-CD1 3.47Å; F73-I79 VanDerWaalsContact CD1-CD1 3.47Å; F73-I79 HydrophobicContact CD1-CG1 4.48Å; F73-I79 HydrophobicContact CE1-CD1 3.73Å; F73-I79 HydrophobicContact CG-CD1 4.48Å; L76-I79 HydrophobicContact CD1-CG1 4.13Å
80	N	87.7	Confident	83.7	Confident	63 Å²	63	91 Å²	91	34%	0.337	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.1	171.1	-80.6	-6.9	0	0	0	108.5	L50 L51 Q52 V53 F78 M82	L50-N80 WeakPolarHBondContact CD1-ND2 3.44Å; L51-N80 PolarHBondContact O-N 2.86Å; Q52-N80 VanDerWaalsContact CA-O 3.25Å; Q52-N80 WeakPolarHBondContact CA-O 3.28Å; Q52-N80 HydrophobicContact CG-CB 3.9Å; V53-N80 PolarHBondContact N-O 2.76Å; V53-N80 VanDerWaalsContact N-O 3.09Å; F78-N80 WeakPolarHBondContact CD2-OD1 3.32Å; F78-N80 VanDerWaalsContact CE2-OD1 3.24Å; F78-N80 WeakPolarHBondContact CE2-OD1 3.08Å; N80-M82 PolarHBondContact O-N 2.96Å
81	L	85.9	Confident	84.4	Confident	98 Å²	98	87.5 Å²	87.5	51%	0.513	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121.2	174.2	-171.5	65.6	0	0	0	109.4	V53 S83	V53-L81 HydrophobicContact CB-CD1 4.38Å; V53-L81 HydrophobicContact CG1-CD1 4.47Å; L81-S83 VanDerWaalsContact C-N 3.29Å; L81-S83 PolarHBondContact O-N 3.37Å
82	M	87.9	Confident	85	Confident	40 Å²	40	93.5 Å²	93.5	20%	0.197	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	75.2	172	-56.6	-166.1	-70.6	0	0	108.1	Q52 V53 V54 K55 N80 Y84	Q52-M82 HydrophobicContact CB-CE 3.7Å; Q52-M82 HydrophobicContact CB-CG 3.97Å; Q52-M82 HydrophobicContact CB-SD 3.72Å; Q52-M82 HydrophobicContact CG-CG 4.33Å; Q52-M82 HydrophobicContact CG-SD 4.17Å; V53-M82 PolarHBondContact O-N 3.25Å; V54-M82 HydrophobicContact CB-CE 4.42Å; V54-M82 HydrophobicContact CG2-CE 3.21Å; K55-M82 PolarHBondContact N-O 3.47Å; N80-M82 PolarHBondContact O-N 2.96Å; M82-Y84 VanDerWaalsContact C-N 3.26Å; M82-Y84 HydrophobicContact CB-CE1 4.14Å; M82-Y84 HydrophobicContact CB-CE2 3.9Å; M82-Y84 HydrophobicContact CG-CE1 4.45Å; M82-Y84 HydrophobicContact CG-CE2 4.27Å; M82-Y84 WeakPolarHBondContact CG-OH 3.36Å; M82-Y84 PolarHBondContact O-N 3.19Å; M82-Y84 HydrophobicContact SD-CE2 4.49Å
83	S	86.2	Confident	85.4	Confident	56 Å²	56	92.3 Å²	92.3	39%	0.392	44%	0.444	S	S	.	.			trans	-92.9	55	177.1	61.3	0	0	0	0	110.8	L81	L81-S83 VanDerWaalsContact C-N 3.29Å; L81-S83 PolarHBondContact O-N 3.37Å
84	Y	87.2	Confident	85.9	Confident	100 Å²	100	95.6 Å²	95.6	39%	0.392	47%	0.471	S	S	.	.			trans	-151.2	178.9	178.4	43.9	-101.7	0	0	0	107.9	M82 F86 D97	M82-Y84 VanDerWaalsContact C-N 3.26Å; M82-Y84 HydrophobicContact CB-CE1 4.14Å; M82-Y84 HydrophobicContact CB-CE2 3.9Å; M82-Y84 HydrophobicContact CG-CE1 4.45Å; M82-Y84 HydrophobicContact CG-CE2 4.27Å; M82-Y84 WeakPolarHBondContact CG-OH 3.36Å; M82-Y84 PolarHBondContact O-N 3.19Å; M82-Y84 HydrophobicContact SD-CE2 4.49Å; Y84-F86 PolarHBondContact O-N 2.8Å; Y84-D97 CarbonylContact C-O 3.45Å; Y84-D97 WeakPolarHBondContact CA-O 3.42Å
85	D	88	Confident	86.1	Confident	98 Å²	98	86.9 Å²	86.9	52%	0.524	45%	0.45	S	S	.	.			trans	60.9	31.5	-170.4	-58.4	-41.8	0	0	0	112.7	W90 D97	D85-W90 HydrophobicContact CB-CH2 4.08Å; D85-W90 HydrophobicContact CB-CZ2 4.2Å; D85-D97 WeakPolarHBondContact CA-OD1 3.24Å; D85-D97 PolarHBondContact N-O 3.43Å; D85-D97 PolarHBondContact N-OD1 3.47Å
86	F	82.6	Confident	86.2	Confident	25 Å²	25	87.5 Å²	87.5	11%	0.11	45%	0.453	C	S	.	.	S	Bend	trans	-71.5	-34.4	174.3	-78.3	-94.4	0	0	0	112.4	K55 S56 D57 Y84 D97 P99	K55-F86 HydrophobicContact CB-CZ 4.08Å; K55-F86 HydrophobicContact CD-CZ 4.24Å; K55-F86 HydrophobicContact CG-CE1 4.34Å; K55-F86 HydrophobicContact CG-CZ 3.93Å; S56-F86 WeakPolarHBondContact O-CE1 3.41Å; D57-F86 HydrophobicContact CB-CD1 3.97Å; Y84-F86 PolarHBondContact O-N 2.8Å; F86-D97 VanDerWaalsContact CB-O 3.31Å; F86-D97 WeakPolarHBondContact CB-O 3.24Å; F86-D97 VanDerWaalsContact CD2-O 3.24Å; F86-D97 WeakPolarHBondContact CD2-O 3.31Å; F86-D97 PolarHBondContact N-O 3.09Å; F86-P99 HydrophobicContact CG-CG 4.44Å
87	Y	83.5	Confident	86.4	Confident	45 Å²	45	89 Å²	89	18%	0.176	46%	0.461	C	S	.	.	S	Bend	trans	-136.8	139.9	174.8	-70.4	-97.3	0	0	0	108.5	D91 G95 I96	Y87-D91 WeakPolarHBondContact CA-OD2 3.26Å; Y87-G95 VanDerWaalsContact CD1-CA 3.49Å; Y87-I96 VanDerWaalsContact CD2-O 3.26Å; Y87-I96 WeakPolarHBondContact CD2-O 3.42Å
88	G	88.1	Confident	86.5	Confident	26 Å²	26	86 Å²	86	27%	0.268	45%	0.454	S	S	.	.			trans	-151.3	-170.1	178.5	0	0	0	0	0	113.2	W90 D91	G88-W90 PolarHBondContact O-N 2.92Å; G88-D91 PolarHBondContact N-OD2 3.12Å; G88-D91 PolarHBondContact O-N 2.92Å
89	S	90.8	Very high	86.5	Confident	127 Å²	127	83.6 Å²	83.6	89%	0.888	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-10.6	178	59.6	0	0	0	0	114.3	D91	S89-D91 VanDerWaalsContact C-N 3.35Å
90	W	89.4	Confident	86.6	Confident	159 Å²	159	87.1 Å²	87.1	60%	0.602	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-10.6	174.9	54.2	79.3	0	0	0	113.2	D85 G88	D85-W90 HydrophobicContact CB-CH2 4.08Å; D85-W90 HydrophobicContact CB-CZ2 4.2Å; G88-W90 PolarHBondContact O-N 2.92Å
91	D	84.6	Confident	86.4	Confident	58 Å²	58	92.1 Å²	92.1	31%	0.31	49%	0.486	S	S	.	.	S	Bend	trans	-90.7	148.2	177.7	-64.4	-66.2	0	0	0	112	Y87 G88 S89 Q93	Y87-D91 WeakPolarHBondContact CA-OD2 3.26Å; G88-D91 PolarHBondContact N-OD2 3.12Å; G88-D91 PolarHBondContact O-N 2.92Å; S89-D91 VanDerWaalsContact C-N 3.35Å; D91-Q93 VanDerWaalsContact C-N 3.27Å; D91-Q93 WeakPolarHBondContact CB-O 3.44Å
92	W	86.4	Confident	86	Confident	216 Å²	216	91.4 Å²	91.4	82%	0.818	49%	0.489	S	S	*	.	S	Bend	trans	-82	-7.3	177.6	56.4	-80.8	0	0	0	112.8
93	Q	83.7	Confident	85.3	Confident	114 Å²	114	94.7 Å²	94.7	53%	0.533	50%	0.504	S	S	.	.	S	Bend	trans	-130.2	147.6	172.6	-69.2	-173.7	-1.7	0	0	110.1	D91	D91-Q93 VanDerWaalsContact C-N 3.27Å; D91-Q93 WeakPolarHBondContact CB-O 3.44Å
94	T	87.2	Confident	84.9	Confident	144 Å²	144	96.8 Å²	96.8	88%	0.883	52%	0.516	S	S	*	.			trans	-68.1	139	170.1	56.1	0	0	0	0	110.4
95	G	84.9	Confident	84.1	Confident	40 Å²	40	94.8 Å²	94.8	41%	0.412	52%	0.517	S	S	.	.			trans	-148.5	-175	169	0	0	0	0	0	112.1	Y87	Y87-G95 VanDerWaalsContact CD1-CA 3.49Å
96	I	86.2	Confident	83.1	Confident	113 Å²	113	90.3 Å²	90.3	58%	0.579	49%	0.493	S	S	*	.			trans	-91.6	122.7	-175	-60.2	175.1	0	0	0	108.8	Y87 G98 P99	Y87-I96 VanDerWaalsContact CD2-O 3.26Å; Y87-I96 WeakPolarHBondContact CD2-O 3.42Å; I96-G98 PolarHBondContact O-N 3.24Å; I96-P99 HydrophobicContact CB-CB 4.19Å; I96-P99 HydrophobicContact CG2-CB 3.96Å; I96-P99 WeakPolarHBondContact O-CD 2.9Å
97	D	87.7	Confident	82.2	Confident	76 Å²	76	91.7 Å²	91.7	41%	0.406	51%	0.509	S	S	.	.	S	Bend	trans	-58.5	-39.1	-176.6	177.2	54.7	0	0	0	114.4	Y84 D85 F86	Y84-D97 CarbonylContact C-O 3.45Å; Y84-D97 WeakPolarHBondContact CA-O 3.42Å; D85-D97 WeakPolarHBondContact CA-OD1 3.24Å; D85-D97 PolarHBondContact N-O 3.43Å; D85-D97 PolarHBondContact N-OD1 3.47Å; F86-D97 VanDerWaalsContact CB-O 3.31Å; F86-D97 WeakPolarHBondContact CB-O 3.24Å; F86-D97 VanDerWaalsContact CD2-O 3.24Å; F86-D97 WeakPolarHBondContact CD2-O 3.31Å; F86-D97 PolarHBondContact N-O 3.09Å
98	G	87.9	Confident	81.3	Confident	40 Å²	40	92.5 Å²	92.5	41%	0.412	53%	0.525	S	S	.	.	S	Bend	trans	-141.4	73.4	-178.8	0	0	0	0	0	111.8	I96	I96-G98 PolarHBondContact O-N 3.24Å
99	P	85.8	Confident	80	Confident	41 Å²	41	93.3 Å²	93.3	27%	0.266	53%	0.53	S	S	.	.			trans	-74.3	131.5	-173.3	30.8	-32	0	0	0	110.8	F86 I96 F101	F86-P99 HydrophobicContact CG-CG 4.44Å; I96-P99 HydrophobicContact CB-CB 4.19Å; I96-P99 HydrophobicContact CG2-CB 3.96Å; I96-P99 WeakPolarHBondContact O-CD 2.9Å; P99-F101 VanDerWaalsContact C-N 3.26Å; P99-F101 WeakPolarHBondContact CB-O 3.34Å; P99-F101 PolarHBondContact O-N 3.03Å
100	L	86.8	Confident	78.5	Confident	151 Å²	151	90.1 Å²	90.1	79%	0.791	51%	0.51	S	S	*	.	S	Bend	trans	-65.1	-33	175.1	-178.1	62.2	0	0	0	112
101	F	83.9	Confident	77	Confident	167 Å²	167	88.9 Å²	88.9	73%	0.732	52%	0.515	S	S	*	.	S	Bend	trans	-129.1	148.6	178.5	-56.2	-68	0	0	0	110.5	P99	P99-F101 VanDerWaalsContact C-N 3.26Å; P99-F101 WeakPolarHBondContact CB-O 3.34Å; P99-F101 PolarHBondContact O-N 3.03Å
102	S	77	Confident	75.8	Confident	83 Å²	83	89.1 Å²	89.1	58%	0.58	53%	0.525	S	S	*	.			trans	-59.6	139	175.5	54.9	0	0	0	0	111.5
103	H	73.9	Confident	74.4	Confident	110 Å²	110	82 Å²	82	51%	0.509	52%	0.519	S	S	.	.			trans	-61.3	145.9	171.5	-169.8	-97.4	0	0	0	110.5	S105 C106	H103-S105 WeakPolarHBondContact ND1-CB 3.47Å; H103-S105 PolarHBondContact ND1-N 3.42Å; H103-S105 PolarHBondContact ND1-OG 3.44Å; H103-S105 PolarHBondContact O-N 2.93Å; H103-S105 VanDerWaalsContact O-N 3.16Å; H103-C106 WeakPolarHBondContact O-CA 3.03Å; H103-C106 WeakPolarHBondContact O-CB 3.42Å; H103-C106 PolarHBondContact O-N 2.01Å
104	P	76	Confident	72.8	Confident	100 Å²	100	84.6 Å²	84.6	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-55.7	-33.4	179.9	-28.7	35.9	0	0	0	114.5	C106 A107 A108	P104-C106 PolarHBondContact O-N 3.42Å; P104-A107 PolarHBondContact O-N 3.35Å; P104-A108 PolarHBondContact O-N 3.36Å
105	S	72.4	Confident	70.2	Confident	58 Å²	58	84.3 Å²	84.3	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-23.4	174.3	64.5	0	0	0	0	113.1	H103 A108 A109	H103-S105 WeakPolarHBondContact ND1-CB 3.47Å; H103-S105 PolarHBondContact ND1-N 3.42Å; H103-S105 PolarHBondContact ND1-OG 3.44Å; H103-S105 PolarHBondContact O-N 2.93Å; H103-S105 VanDerWaalsContact O-N 3.16Å; S105-A108 WeakPolarHBondContact O-CB 3.49Å; S105-A108 PolarHBondContact O-N 3.32Å; S105-A109 PolarHBondContact O-N 3.13Å
106	C	66.7	Low	67.9	Low	4 Å²	4	91.7 Å²	91.7	3%	0.027	56%	0.564	C	S	.	*	H	α-helix	trans	-75.4	-34	179.8	-123.6	0	0	0	0	112	C58 H103 P104 A108 A109 A110	C58-C106 HydrophobicContact CB-CB 4.07Å; C58-C106 WeakPolarHBondContact CB-SG 3.49Å; C58-C106 WeakPolarHBondContact SG-CA 2.85Å; C58-C106 WeakPolarHBondContact SG-CB 3.38Å; C58-C106 PolarHBondContact SG-O 3.01Å; C58-C106 VanDerWaalsContact SG-O 3.42Å; C58-C106 CovalentContact SG-SG 2.01Å; C58-C106 PolarHBondContact SG-SG 2.9Å; H103-C106 WeakPolarHBondContact O-CA 3.03Å; H103-C106 WeakPolarHBondContact O-CB 3.42Å; H103-C106 PolarHBondContact O-N 2.01Å; P104-C106 PolarHBondContact O-N 3.42Å; C106-A108 VanDerWaalsContact C-N 3.34Å; C106-A109 PolarHBondContact O-N 3.44Å; C106-A110 WeakPolarHBondContact O-CB 3.37Å; C106-A110 PolarHBondContact O-N 3.25Å
107	A	63.6	Low	67	Low	53 Å²	53	90.6 Å²	90.6	44%	0.438	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-39	168.7	0	0	0	0	0	111.4	P104 A110 L111	P104-A107 PolarHBondContact O-N 3.35Å; A107-A110 PolarHBondContact O-N 2.79Å; A107-L111 WeakPolarHBondContact O-CG 3.48Å; A107-L111 PolarHBondContact O-N 3.27Å; A107-L111 VanDerWaalsContact O-N 3.13Å
108	A	63.2	Low	65.9	Low	62 Å²	62	91.4 Å²	91.4	51%	0.512	57%	0.571	S	S	.	*	H	α-helix	trans	-64.7	-41.3	175	0	0	0	0	0	112.2	P104 S105 C106 L111 A112	P104-A108 PolarHBondContact O-N 3.36Å; S105-A108 WeakPolarHBondContact O-CB 3.49Å; S105-A108 PolarHBondContact O-N 3.32Å; C106-A108 VanDerWaalsContact C-N 3.34Å; A108-L111 PolarHBondContact O-N 3.43Å; A108-A112 WeakPolarHBondContact O-CB 3.35Å; A108-A112 PolarHBondContact O-N 3.33Å
109	A	61.9	Low	64.7	Low	44 Å²	44	94.2 Å²	94.2	36%	0.364	58%	0.58	S	S	.	*	H	α-helix	trans	-64.8	-41.1	175.7	0	0	0	0	0	112.5	S105 C106 L111 A112 G113	S105-A109 PolarHBondContact O-N 3.13Å; C106-A109 PolarHBondContact O-N 3.44Å; A109-L111 VanDerWaalsContact C-N 3.26Å; A109-L111 PolarHBondContact O-N 3.35Å; A109-A112 PolarHBondContact O-N 3.21Å; A109-G113 PolarHBondContact O-N 3.16Å
110	A	59.2	Low	63.5	Low	59 Å²	59	97.4 Å²	97.4	49%	0.488	60%	0.598	S	S	.	*	H	α-helix	trans	-63.2	-32.7	176.1	0	0	0	0	0	112.8	C106 A107	C106-A110 WeakPolarHBondContact O-CB 3.37Å; C106-A110 PolarHBondContact O-N 3.25Å; A107-A110 PolarHBondContact O-N 2.79Å
111	L	57.7	Low	62	Low	133 Å²	133	94 Å²	94	70%	0.696	59%	0.586	S	S	*	*	H	α-helix	trans	-78.6	-35.4	175	-70.4	166.5	0	0	0	112.3	A107 A108 A109 H114	A107-L111 WeakPolarHBondContact O-CG 3.48Å; A107-L111 PolarHBondContact O-N 3.27Å; A107-L111 VanDerWaalsContact O-N 3.13Å; A108-L111 PolarHBondContact O-N 3.43Å; A109-L111 VanDerWaalsContact C-N 3.26Å; A109-L111 PolarHBondContact O-N 3.35Å; L111-H114 PolarHBondContact O-N 3.23Å
112	A	59.3	Low	60.6	Low	63 Å²	63	89.1 Å²	89.1	52%	0.521	58%	0.576	S	S	.	*	H	α-helix	trans	-71.2	-32.3	179.2	0	0	0	0	0	113.1	A108 A109 H114	A108-A112 WeakPolarHBondContact O-CB 3.35Å; A108-A112 PolarHBondContact O-N 3.33Å; A109-A112 PolarHBondContact O-N 3.21Å; A112-H114 PolarHBondContact O-N 2.84Å
113	G	56.9	Low	59.4	Low	67 Å²	67	89.6 Å²	89.6	69%	0.691	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	7.5	175.3	0	0	0	0	0	115.4	A109	A109-G113 PolarHBondContact O-N 3.16Å
114	H	49.9	Very low	58.3	Low	168 Å²	168	88 Å²	88	78%	0.778	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	11.2	177.3	-118.9	59.4	0	0	0	113.3	L111 A112	L111-H114 PolarHBondContact O-N 3.23Å; A112-H114 PolarHBondContact O-N 2.84Å
115	L	32.2	Very low	56.8	Low	139 Å²	139	87 Å²	87	73%	0.728	58%	0.576	S	S	*	*			trans	-81.7	131.5	168.5	-76.9	160.3	0	0	0	109.3
116	P	38.4	Very low	55.4	Low	194 Å²	194	89.6 Å²	89.6	100%	1.26	59%	0.591	S	S	*	*			trans	-63.1	0	178.7	28.1	-34.9	0	0	0	113.2

Retrieved 116 of 116 residues in 192.5 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).