A0A077ZH67_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 110 aa.

						>A0A077ZH67_TRITR|A0A077ZH67
MGPKPSEGKRTVYVGGFGEDVDEKTLHAAFIPFGDIVDVSMPLDFETNKHRGFGFIEFEMDADAAAAVDNMNKGELFGRTIHVNFARPPRPNERMLKPVWADDEWLKQYG
					

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	39.6	Very low	58.8	Low	243 Å²	243	103.7 Å²	103.7	100%	1.197	57%	0.572	S	S	*	*				0	91.6	0	-166.8	168.1	167.4	0	0	106.1
2	G	45.1	Very low	61.6	Low	62 Å²	62	95.1 Å²	95.1	64%	0.639	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-68.5	152.8	-179.5	0	0	0	0	0	110.4	K4	G2-K4 PolarHBondContact O-N 3.49Å
3	P	51.9	Low	64	Low	128 Å²	128	93.7 Å²	93.7	83%	0.831	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-57.6	127.5	173.9	25.5	-31.6	0	0	0	108.5
4	K	45.1	Very low	66.1	Low	189 Å²	189	87 Å²	87	82%	0.822	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-58.6	122.6	163.9	-78.3	171.6	172.4	164.4	0	106.2	G2 S6	G2-K4 PolarHBondContact O-N 3.49Å; K4-S6 PolarHBondContact O-N 2.91Å
5	P	49.6	Very low	68	Low	61 Å²	61	81.3 Å²	81.3	40%	0.396	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-58.1	135.1	176.2	23.2	-29.7	0	0	0	108	E7	P5-E7 HydrophobicContact CG-CG 4.47Å; P5-E7 PolarHBondContact O-N 3.07Å
6	S	49.4	Very low	69.3	Low	75 Å²	75	78.6 Å²	78.6	52%	0.524	44%	0.438	S	S	.	.			trans	-61.6	81.4	169.3	28.3	0	0	0	0	108.7	K4 G8 K9	K4-S6 PolarHBondContact O-N 2.91Å; S6-G8 PolarHBondContact O-N 2.63Å; S6-K9 PolarHBondContact O-N 2.85Å
7	E	55.3	Low	70.5	Confident	141 Å²	141	74.3 Å²	74.3	66%	0.659	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	29.9	-163.8	-119.4	164.8	90.8	0	0	115.8	P5	P5-E7 HydrophobicContact CG-CG 4.47Å; P5-E7 PolarHBondContact O-N 3.07Å
8	G	58.9	Low	71.3	Confident	26 Å²	26	70.8 Å²	70.8	27%	0.268	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.1	6.1	179.6	0	0	0	0	0	116.7	S6	S6-G8 PolarHBondContact O-N 2.63Å
9	K	71.8	Confident	72	Confident	131 Å²	131	73.4 Å²	73.4	57%	0.57	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-11.2	177.9	-64.7	-170.7	179.6	-174.9	0	114.8	S6 D61 A64	S6-K9 PolarHBondContact O-N 2.85Å; K9-D61 HydrophobicContact CB-CB 3.86Å; K9-A64 VanDerWaalsContact O-CB 3.26Å; K9-A64 WeakPolarHBondContact O-CB 3.3Å
10	R	88.8	Confident	72.7	Confident	56 Å²	56	74.6 Å²	74.6	21%	0.211	41%	0.411	C	S	.	.	S	Bend	trans	-99.5	-19.3	-177.4	-62.8	-168.3	-65.3	159.4	12.9	113.6	F58 E59 D61 A64	R10-F58 WeakPolarHBondContact CB-O 3.4Å; R10-F58 PolarHBondContact O-N 2.83Å; R10-E59 WeakPolarHBondContact CD-O 3.5Å; R10-E59 PolarHBondContact NH1-O 3.4Å; R10-D61 HydrophobicContact CG-CB 3.97Å; R10-A64 WeakPolarHBondContact O-CB 3.41Å
11	T	91	Very high	73.5	Confident	29 Å²	29	71 Å²	71	18%	0.178	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.8	179.7	-40.1	0	0	0	0	109.5	F55 I56 E57 A86	T11-F55 HydrophobicContact CG2-CB 4.16Å; T11-I56 CarbonylContact C-O 3.57Å; T11-I56 VanDerWaalsContact CA-O 3.3Å; T11-I56 WeakPolarHBondContact CA-O 3.39Å; T11-E57 HydrophobicContact CG2-CB 4.47Å; T11-A86 HydrophobicContact CG2-CB 3.7Å; T11-A86 VanDerWaalsContact O-CB 3.31Å; T11-A86 WeakPolarHBondContact O-CB 3.13Å; T11-A86 PolarHBondContact O-N 3.16Å
12	V	93	Very high	75.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.9	174.2	-55.1	0	0	0	0	109.7	V14 F30 F55 I56 F58 A64 V68 V83 N84	V12-V14 HydrophobicContact CG2-CG2 4.17Å; V12-F30 HydrophobicContact CG2-CD1 4.49Å; V12-F30 HydrophobicContact CG2-CE1 4.35Å; V12-F55 CarbonylContact O-C 3.5Å; V12-F55 VanDerWaalsContact O-CA 3.23Å; V12-F55 WeakPolarHBondContact O-CA 3.33Å; V12-I56 HydrophobicContact CG2-CB 3.75Å; V12-I56 PolarHBondContact N-O 2.86Å; V12-I56 PolarHBondContact O-N 3.37Å; V12-F58 HydrophobicContact CG1-CD2 4.25Å; V12-F58 HydrophobicContact CG1-CE2 4.08Å; V12-F58 HydrophobicContact CG2-CD2 4.37Å; V12-F58 HydrophobicContact CG2-CE2 3.75Å; V12-A64 HydrophobicContact CG1-CB 3.75Å; V12-A64 WeakPolarHBondContact CG1-O 3.46Å; V12-V68 HydrophobicContact CB-CG2 4.27Å; V12-V68 HydrophobicContact CG1-CG2 3.67Å; V12-V83 HydrophobicContact CB-CG1 4.23Å; V12-V83 HydrophobicContact CG2-CG1 4.43Å; V12-N84 CarbonylContact C-O 3.48Å; V12-N84 WeakPolarHBondContact CA-O 3.47Å
13	Y	92.9	Very high	77.9	Confident	77 Å²	77	65 Å²	65	30%	0.302	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.6	165.6	167.8	-90.8	0	0	0	108.8	F53 F55 V83 N84	Y13-F53 HydrophobicContact CD2-CD2 4.37Å; Y13-F53 HydrophobicContact CE2-CB 3.64Å; Y13-F53 AromaticContact CE2-CD2 3.69Å; Y13-F53 HydrophobicContact CE2-CD2 3.69Å; Y13-F53 AromaticContact CE2-CG 3.86Å; Y13-F53 HydrophobicContact CE2-CG 3.86Å; Y13-F53 WeakPolarHBondContact OH-CB 3.47Å; Y13-F55 HydrophobicContact CD2-CD1 4.29Å; Y13-F55 AromaticContact CD2-CE1 3.71Å; Y13-F55 HydrophobicContact CD2-CE1 3.71Å; Y13-F55 HydrophobicContact CD2-CZ 4Å; Y13-F55 HydrophobicContact CG-CE1 4.43Å; Y13-V83 VanDerWaalsContact O-CA 3.26Å; Y13-V83 WeakPolarHBondContact O-CA 3.4Å; Y13-N84 PolarHBondContact N-O 2.67Å; Y13-N84 PolarHBondContact O-N 2.78Å
14	V	93.6	Very high	79.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.5	174	-172.1	0	0	0	0	107.6	V12 F17 L26 F30 F53 G54 I56 I81 H82 V83	V12-V14 HydrophobicContact CG2-CG2 4.17Å; V14-F17 HydrophobicContact CB-CE1 4.17Å; V14-F17 HydrophobicContact CG1-CD1 3.94Å; V14-F17 HydrophobicContact CG1-CE1 3.89Å; V14-F17 WeakPolarHBondContact O-CE1 3.33Å; V14-L26 HydrophobicContact CG1-CD2 4.01Å; V14-F30 HydrophobicContact CB-CZ 4.26Å; V14-F30 HydrophobicContact CG1-CE2 3.99Å; V14-F30 HydrophobicContact CG1-CZ 3.85Å; V14-F30 HydrophobicContact CG2-CE1 3.89Å; V14-F30 HydrophobicContact CG2-CE2 3.81Å; V14-F30 HydrophobicContact CG2-CZ 3.35Å; V14-F53 CarbonylContact O-C 3.58Å; V14-F53 WeakPolarHBondContact O-CA 3.41Å; V14-F53 WeakPolarHBondContact O-CB 3.16Å; V14-G54 PolarHBondContact N-O 2.93Å; V14-G54 PolarHBondContact O-N 2.87Å; V14-I56 HydrophobicContact CG2-CD1 3.76Å; V14-I56 HydrophobicContact CG2-CG1 4.24Å; V14-I81 HydrophobicContact CG1-CD1 4.37Å; V14-H82 CarbonylContact C-O 3.52Å; V14-H82 WeakPolarHBondContact CA-O 3.48Å; V14-V83 HydrophobicContact CG1-CG2 4.23Å; V14-V83 HydrophobicContact CG2-CG1 4.42Å; V14-V83 HydrophobicContact CG2-CG2 4.43Å
15	G	93.6	Very high	82.1	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	165.3	178.4	0	0	0	0	0	113.8	G52 I81 H82	G15-G52 CarbonylContact C-O 3.58Å; G15-G52 WeakPolarHBondContact CA-O 3.38Å; G15-I81 CarbonylContact O-C 3.44Å; G15-I81 VanDerWaalsContact O-CA 3.28Å; G15-I81 WeakPolarHBondContact O-CA 3.12Å; G15-H82 PolarHBondContact N-O 2.97Å; G15-H82 PolarHBondContact O-N 3.03Å
16	G	89.7	Confident	84.1	Confident	39 Å²	39	56 Å²	56	40%	0.402	29%	0.29	S	S	.	.			trans	92.7	3.2	-178.5	0	0	0	0	0	114.6	G52	G16-G52 PolarHBondContact N-O 3.47Å
17	F	89.4	Confident	86.2	Confident	5 Å²	5	55.9 Å²	55.9	2%	0.022	28%	0.281	C	S	.	.			trans	-82.1	154.1	170.4	54.7	-100.5	0	0	0	111.3	V14 V21 L26 M41 H50 G52 F53 L76 I81	V14-F17 HydrophobicContact CB-CE1 4.17Å; V14-F17 HydrophobicContact CG1-CD1 3.94Å; V14-F17 HydrophobicContact CG1-CE1 3.89Å; V14-F17 WeakPolarHBondContact O-CE1 3.33Å; F17-V21 HydrophobicContact CB-CB 4Å; F17-V21 HydrophobicContact CB-CG1 4.21Å; F17-V21 HydrophobicContact CB-CG2 3.84Å; F17-V21 HydrophobicContact CD1-CG1 4.46Å; F17-V21 HydrophobicContact CD2-CB 3.6Å; F17-V21 HydrophobicContact CD2-CG1 3.67Å; F17-V21 HydrophobicContact CD2-CG2 4.39Å; F17-V21 HydrophobicContact CE2-CB 4.27Å; F17-V21 HydrophobicContact CE2-CG1 4.02Å; F17-V21 HydrophobicContact CG-CB 4.01Å; F17-V21 HydrophobicContact CG-CG1 3.89Å; F17-V21 HydrophobicContact CG-CG2 4.39Å; F17-L26 HydrophobicContact CD1-CD2 4.23Å; F17-L26 HydrophobicContact CE1-CD1 4.04Å; F17-L26 HydrophobicContact CE1-CD2 4Å; F17-L26 HydrophobicContact CZ-CD1 3.88Å; F17-L26 HydrophobicContact CZ-CD2 4.44Å; F17-M41 HydrophobicContact CE2-CE 3.47Å; F17-M41 VanDerWaalsContact CE2-CE 3.47Å; F17-M41 HydrophobicContact CZ-CE 3.75Å; F17-H50 AromaticContact CD2-CE1 3.48Å; F17-H50 VanDerWaalsContact CD2-CE1 3.48Å; F17-H50 WeakPolarHBondContact CD2-CE1 3.47Å; F17-H50 AromaticContact CD2-ND1 3.81Å; F17-H50 AromaticContact CE2-CE1 3.47Å; F17-H50 VanDerWaalsContact CE2-CE1 3.47Å; F17-H50 WeakPolarHBondContact CE2-CE1 3.28Å; F17-H50 AromaticContact CE2-ND1 3.36Å; F17-H50 WeakPolarHBondContact CE2-ND1 3.14Å; F17-G52 WeakPolarHBondContact O-CA 3.41Å; F17-F53 VanDerWaalsContact CZ-CA 3.44Å; F17-L76 HydrophobicContact CB-CD2 4.32Å; F17-I81 HydrophobicContact CB-CG2 4.01Å; F17-I81 HydrophobicContact CD1-CG2 4.47Å
18	G	85.6	Confident	88.1	Confident	11 Å²	11	52.2 Å²	52.2	11%	0.113	28%	0.275	C	S	.	.			trans	-93.5	179.5	179.5	0	0	0	0	0	113	D20 V21 H50	G18-D20 PolarHBondContact O-N 3.39Å; G18-V21 PolarHBondContact O-N 3.24Å; G18-V21 VanDerWaalsContact O-N 3.07Å; G18-H50 VanDerWaalsContact C-CE1 3.45Å; G18-H50 PolarHBondContact O-CE1 2.75Å; G18-H50 PolarHBondContact O-NE2 3.35Å
19	E	84.4	Confident	89.7	Confident	120 Å²	120	52.1 Å²	52.1	56%	0.561	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.1	-173.8	63.4	-176.3	73.4	0	0	115.8	V21 K49 H50	E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 3.33Å; E19-K49 IonicContact OE1-NZ 2.78Å; E19-K49 PolarHBondContact OE1-NZ 3.43Å; E19-K49 WeakPolarHBondContact OE2-CE 3.35Å; E19-K49 IonicContact OE2-NZ 2.67Å; E19-K49 PolarHBondContact OE2-NZ 2.79Å; E19-H50 WeakPolarHBondContact CA-NE2 3.28Å; E19-H50 PolarHBondContact O-NE2 2.84Å
20	D	85.5	Confident	90.8	Very high	97 Å²	97	45.9 Å²	45.9	52%	0.519	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.9	178.7	-48.4	-81.3	0	0	0	113.2	G18 F77 R79	G18-D20 PolarHBondContact O-N 3.39Å; D20-F77 HydrophobicContact CB-CD1 4.29Å; D20-R79 IonicContact OD2-NH1 3.07Å; D20-R79 PolarHBondContact OD2-NH1 3.47Å
21	V	88.7	Confident	91	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	26%	0.255	C	S	.	.			trans	-99	115.3	-176.3	171.3	0	0	0	0	110.3	F17 G18 E19 T25 L26 M41 H50 L76 F77	F17-V21 HydrophobicContact CB-CB 4Å; F17-V21 HydrophobicContact CB-CG1 4.21Å; F17-V21 HydrophobicContact CB-CG2 3.84Å; F17-V21 HydrophobicContact CD1-CG1 4.46Å; F17-V21 HydrophobicContact CD2-CB 3.6Å; F17-V21 HydrophobicContact CD2-CG1 3.67Å; F17-V21 HydrophobicContact CD2-CG2 4.39Å; F17-V21 HydrophobicContact CE2-CB 4.27Å; F17-V21 HydrophobicContact CE2-CG1 4.02Å; F17-V21 HydrophobicContact CG-CB 4.01Å; F17-V21 HydrophobicContact CG-CG1 3.89Å; F17-V21 HydrophobicContact CG-CG2 4.39Å; G18-V21 PolarHBondContact O-N 3.24Å; G18-V21 VanDerWaalsContact O-N 3.07Å; E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 3.33Å; V21-T25 HydrophobicContact CB-CG2 4.38Å; V21-T25 HydrophobicContact CG1-CG2 3.95Å; V21-T25 HydrophobicContact CG2-CG2 4.18Å; V21-L26 HydrophobicContact CG1-CD2 3.74Å; V21-L26 HydrophobicContact CG1-CG 3.82Å; V21-M41 VanDerWaalsContact O-CE 3.25Å; V21-M41 WeakPolarHBondContact O-CE 3.31Å; V21-H50 PolarHBondContact O-CD2 2.83Å; V21-H50 PolarHBondContact O-NE2 2.87Å; V21-L76 HydrophobicContact CG1-CD2 3.98Å; V21-L76 HydrophobicContact CG2-CD2 3.99Å; V21-L76 HydrophobicContact CG2-CG 4.01Å; V21-F77 HydrophobicContact CG2-CB 4.47Å; V21-F77 HydrophobicContact CG2-CD2 3.67Å; V21-F77 HydrophobicContact CG2-CE2 4.14Å; V21-F77 HydrophobicContact CG2-CG 4.15Å
22	D	88.5	Confident	91.2	Very high	69 Å²	69	50.7 Å²	50.7	37%	0.369	28%	0.278	S	S	.	.			trans	-103.8	176.4	174.6	70.5	-70.6	0	0	0	112.5	K24 T25 L26	D22-K24 VanDerWaalsContact C-N 3.25Å; D22-K24 PolarHBondContact O-N 3.24Å; D22-K24 WeakPolarHBondContact OD2-CA 3.38Å; D22-K24 WeakPolarHBondContact OD2-CB 3.45Å; D22-K24 WeakPolarHBondContact OD2-CG 3.25Å; D22-K24 PolarHBondContact OD2-N 3.48Å; D22-T25 WeakPolarHBondContact O-CB 3.47Å; D22-T25 PolarHBondContact O-N 2.95Å; D22-T25 WeakPolarHBondContact OD1-CB 3.3Å; D22-T25 PolarHBondContact OD1-OG1 3.43Å; D22-L26 PolarHBondContact O-N 2.99Å
23	E	90.2	Very high	91.3	Very high	108 Å²	108	52.8 Å²	52.8	51%	0.505	29%	0.288	S	S	.	.	H	α-helix	trans	-55.2	-39.9	179.5	-170	-172.4	89.7	0	0	112.4	T25 L26 H27 V39 M41	E23-T25 VanDerWaalsContact C-N 3.33Å; E23-T25 PolarHBondContact O-N 3.07Å; E23-L26 PolarHBondContact O-N 2.85Å; E23-H27 WeakPolarHBondContact O-CB 3.18Å; E23-H27 PolarHBondContact O-N 3.37Å; E23-V39 HydrophobicContact CB-CG1 4.44Å; E23-V39 HydrophobicContact CG-CB 3.6Å; E23-V39 HydrophobicContact CG-CG1 3.54Å; E23-M41 WeakPolarHBondContact CA-SD 3.45Å; E23-M41 HydrophobicContact CB-SD 4.08Å; E23-M41 PolarHBondContact N-SD 3.26Å
24	K	92	Very high	91.3	Very high	161 Å²	161	49.9 Å²	49.9	70%	0.7	28%	0.281	S	S	*	.	H	α-helix	trans	-69.6	-36	179.7	-55.8	177.1	179	178.2	0	111.2	D22 H27 A28	D22-K24 VanDerWaalsContact C-N 3.25Å; D22-K24 PolarHBondContact O-N 3.24Å; D22-K24 WeakPolarHBondContact OD2-CA 3.38Å; D22-K24 WeakPolarHBondContact OD2-CB 3.45Å; D22-K24 WeakPolarHBondContact OD2-CG 3.25Å; D22-K24 PolarHBondContact OD2-N 3.48Å; K24-H27 PolarHBondContact O-N 2.99Å; K24-A28 VanDerWaalsContact O-CB 3.31Å; K24-A28 WeakPolarHBondContact O-CB 3.37Å; K24-A28 PolarHBondContact O-N 3.07Å
25	T	92.2	Very high	91.3	Very high	28 Å²	28	55 Å²	55	17%	0.172	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-45.7	175.5	-67.2	0	0	0	0	111	V21 D22 E23 A28 A29 L76 F77	V21-T25 HydrophobicContact CB-CG2 4.38Å; V21-T25 HydrophobicContact CG1-CG2 3.95Å; V21-T25 HydrophobicContact CG2-CG2 4.18Å; D22-T25 WeakPolarHBondContact O-CB 3.47Å; D22-T25 PolarHBondContact O-N 2.95Å; D22-T25 WeakPolarHBondContact OD1-CB 3.3Å; D22-T25 PolarHBondContact OD1-OG1 3.43Å; E23-T25 VanDerWaalsContact C-N 3.33Å; E23-T25 PolarHBondContact O-N 3.07Å; T25-A28 PolarHBondContact O-N 2.96Å; T25-A29 WeakPolarHBondContact O-CB 3.25Å; T25-A29 PolarHBondContact O-N 3.37Å; T25-L76 HydrophobicContact CG2-CD1 4.48Å; T25-F77 HydrophobicContact CG2-CD2 4.2Å; T25-F77 HydrophobicContact CG2-CE2 3.25Å; T25-F77 HydrophobicContact CG2-CZ 3.76Å
26	L	92.3	Very high	91.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-46.8	172.7	-72.5	-173.5	0	0	0	111.2	V14 F17 V21 D22 E23 A28 A29 F30 V39 M41 I56 L76	V14-L26 HydrophobicContact CG1-CD2 4.01Å; F17-L26 HydrophobicContact CD1-CD2 4.23Å; F17-L26 HydrophobicContact CE1-CD1 4.04Å; F17-L26 HydrophobicContact CE1-CD2 4Å; F17-L26 HydrophobicContact CZ-CD1 3.88Å; F17-L26 HydrophobicContact CZ-CD2 4.44Å; V21-L26 HydrophobicContact CG1-CD2 3.74Å; V21-L26 HydrophobicContact CG1-CG 3.82Å; D22-L26 PolarHBondContact O-N 2.99Å; E23-L26 PolarHBondContact O-N 2.85Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.09Å; L26-A29 PolarHBondContact O-N 3.3Å; L26-F30 HydrophobicContact CD2-CE2 4.19Å; L26-F30 WeakPolarHBondContact O-CB 3.47Å; L26-F30 VanDerWaalsContact O-CD2 3.25Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 PolarHBondContact O-N 3.42Å; L26-V39 HydrophobicContact CB-CG1 4.15Å; L26-V39 HydrophobicContact CD1-CG1 4.26Å; L26-M41 HydrophobicContact CD1-CE 4.21Å; L26-M41 HydrophobicContact CD1-CG 3.8Å; L26-M41 HydrophobicContact CD1-SD 3.48Å; L26-M41 WeakPolarHBondContact CD1-SD 3.48Å; L26-M41 HydrophobicContact CG-SD 4.12Å; L26-I56 HydrophobicContact CB-CD1 4.05Å; L26-L76 HydrophobicContact CD2-CD2 3.95Å
27	H	94	Very high	91.4	Very high	73 Å²	73	58.1 Å²	58.1	34%	0.338	32%	0.318	S	S	.	.	H	α-helix	trans	-56.6	-48.1	177.5	-173	-79.2	0	0	0	111.6	E23 K24 A29 F30 I31 I36 V39	E23-H27 WeakPolarHBondContact O-CB 3.18Å; E23-H27 PolarHBondContact O-N 3.37Å; K24-H27 PolarHBondContact O-N 2.99Å; H27-A29 VanDerWaalsContact C-N 3.34Å; H27-A29 PolarHBondContact O-N 2.87Å; H27-F30 PolarHBondContact O-N 3.02Å; H27-I31 VanDerWaalsContact O-CB 3.3Å; H27-I31 WeakPolarHBondContact O-CB 3.46Å; H27-I31 PolarHBondContact O-N 3.19Å; H27-I36 HydrophobicContact CB-CD1 4.46Å; H27-I36 WeakPolarHBondContact O-CD1 3.5Å; H27-V39 HydrophobicContact CB-CG2 4.26Å
28	A	94.4	Very high	91.4	Very high	64 Å²	64	62.3 Å²	62.3	53%	0.529	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-33.9	179	0	0	0	0	0	113.4	K24 T25 L26	K24-A28 VanDerWaalsContact O-CB 3.31Å; K24-A28 WeakPolarHBondContact O-CB 3.37Å; K24-A28 PolarHBondContact O-N 3.07Å; T25-A28 PolarHBondContact O-N 2.96Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.09Å
29	A	92.4	Very high	91.7	Very high	25 Å²	25	62.2 Å²	62.2	21%	0.207	34%	0.338	C	S	.	.	H	α-helix	trans	-73.5	-28.4	177.9	0	0	0	0	0	112.8	T25 L26 H27 M71 L76	T25-A29 WeakPolarHBondContact O-CB 3.25Å; T25-A29 PolarHBondContact O-N 3.37Å; L26-A29 PolarHBondContact O-N 3.3Å; H27-A29 VanDerWaalsContact C-N 3.34Å; H27-A29 PolarHBondContact O-N 2.87Å; A29-M71 HydrophobicContact CB-CE 4.15Å; A29-L76 HydrophobicContact CB-CD1 4.26Å
30	F	94.2	Very high	91.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-106.3	-18.6	-172.8	-77.1	-96.7	0	0	0	114.5	V12 V14 L26 H27 P32 F33 I36 I56 F58 A67 M71 I81 V83	V12-F30 HydrophobicContact CG2-CD1 4.49Å; V12-F30 HydrophobicContact CG2-CE1 4.35Å; V14-F30 HydrophobicContact CB-CZ 4.26Å; V14-F30 HydrophobicContact CG1-CE2 3.99Å; V14-F30 HydrophobicContact CG1-CZ 3.85Å; V14-F30 HydrophobicContact CG2-CE1 3.89Å; V14-F30 HydrophobicContact CG2-CE2 3.81Å; V14-F30 HydrophobicContact CG2-CZ 3.35Å; L26-F30 HydrophobicContact CD2-CE2 4.19Å; L26-F30 WeakPolarHBondContact O-CB 3.47Å; L26-F30 VanDerWaalsContact O-CD2 3.25Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 PolarHBondContact O-N 3.42Å; H27-F30 PolarHBondContact O-N 3.02Å; F30-P32 VanDerWaalsContact C-N 3.27Å; F30-F33 HydrophobicContact CD1-CD2 4.32Å; F30-F33 WeakPolarHBondContact O-CD2 3.25Å; F30-F33 PolarHBondContact O-N 3.36Å; F30-F33 VanDerWaalsContact O-N 3.09Å; F30-I36 HydrophobicContact CB-CD1 3.94Å; F30-I56 HydrophobicContact CB-CD1 3.73Å; F30-I56 HydrophobicContact CB-CG2 4.4Å; F30-I56 HydrophobicContact CD1-CD1 3.79Å; F30-I56 HydrophobicContact CD2-CD1 3.21Å; F30-I56 HydrophobicContact CE1-CD1 4.19Å; F30-I56 HydrophobicContact CE2-CD1 3.66Å; F30-I56 HydrophobicContact CG-CD1 3.28Å; F30-I56 HydrophobicContact CZ-CD1 4.13Å; F30-F58 HydrophobicContact CB-CZ 3.96Å; F30-F58 HydrophobicContact CD1-CE2 4.39Å; F30-F58 HydrophobicContact CD1-CZ 4.01Å; F30-F58 HydrophobicContact CG-CZ 4.48Å; F30-A67 HydrophobicContact CD1-CB 3.91Å; F30-A67 HydrophobicContact CE1-CB 4.18Å; F30-M71 HydrophobicContact CD1-CG 4.46Å; F30-M71 HydrophobicContact CD2-CE 4.43Å; F30-M71 HydrophobicContact CE1-CB 4.01Å; F30-M71 HydrophobicContact CE1-CG 3.95Å; F30-M71 HydrophobicContact CE2-CE 4.01Å; F30-M71 HydrophobicContact CZ-CB 4.09Å; F30-M71 HydrophobicContact CZ-CE 4.09Å; F30-M71 HydrophobicContact CZ-CG 4.21Å; F30-I81 HydrophobicContact CZ-CD1 4.42Å; F30-V83 HydrophobicContact CE1-CG1 3.97Å; F30-V83 HydrophobicContact CE1-CG2 4.24Å; F30-V83 HydrophobicContact CZ-CG1 4.33Å; F30-V83 HydrophobicContact CZ-CG2 3.85Å
31	I	94.4	Very high	92	Very high	82 Å²	82	55.8 Å²	55.8	42%	0.421	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-56	-29	175.9	-161.9	176.8	0	0	0	114.6	H27 F33 G34 I36	H27-I31 VanDerWaalsContact O-CB 3.3Å; H27-I31 WeakPolarHBondContact O-CB 3.46Å; H27-I31 PolarHBondContact O-N 3.19Å; I31-F33 PolarHBondContact O-N 3.26Å; I31-G34 PolarHBondContact O-N 3.48Å; I31-I36 HydrophobicContact CB-CD1 4.29Å
32	P	95	Very high	91.7	Very high	103 Å²	103	57.7 Å²	57.7	67%	0.669	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-66.3	-16.3	177.1	-21.8	36	0	0	0	114.3	F30	F30-P32 VanDerWaalsContact C-N 3.27Å
33	F	94	Very high	91.4	Very high	45 Å²	45	59.1 Å²	59.1	20%	0.197	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-86.1	-23.7	178.4	-59.6	-71.8	0	0	0	113.1	F30 I31 F58 D63 A66 A67 N70 M71	F30-F33 HydrophobicContact CD1-CD2 4.32Å; F30-F33 WeakPolarHBondContact O-CD2 3.25Å; F30-F33 PolarHBondContact O-N 3.36Å; F30-F33 VanDerWaalsContact O-N 3.09Å; I31-F33 PolarHBondContact O-N 3.26Å; F33-F58 HydrophobicContact CB-CE1 4.1Å; F33-F58 HydrophobicContact CB-CZ 4.26Å; F33-D63 WeakPolarHBondContact O-CB 3.16Å; F33-A66 HydrophobicContact CD1-CB 4.25Å; F33-A67 HydrophobicContact CB-CB 3.98Å; F33-A67 HydrophobicContact CD1-CB 4.42Å; F33-A67 HydrophobicContact CD2-CB 3.84Å; F33-A67 HydrophobicContact CG-CB 3.8Å; F33-N70 HydrophobicContact CD1-CB 4.46Å; F33-N70 HydrophobicContact CE1-CB 3.42Å; F33-N70 VanDerWaalsContact CE1-CB 3.42Å; F33-N70 HydrophobicContact CZ-CB 3.78Å; F33-M71 HydrophobicContact CD2-CG 4.28Å; F33-M71 HydrophobicContact CE1-CG 4.47Å; F33-M71 HydrophobicContact CE2-CE 4.46Å; F33-M71 HydrophobicContact CE2-CG 3.26Å; F33-M71 HydrophobicContact CE2-SD 3.67Å; F33-M71 HydrophobicContact CZ-CG 3.38Å; F33-M71 HydrophobicContact CZ-SD 3.68Å
34	G	93.1	Very high	90.6	Very high	16 Å²	16	55.2 Å²	55.2	17%	0.165	31%	0.313	C	S	.	.	S	Bend	trans	161.5	177.8	-179.5	0	0	0	0	0	112.6	I31 I36	I31-G34 PolarHBondContact O-N 3.48Å; G34-I36 PolarHBondContact O-N 3.28Å
35	D	94	Very high	89.5	Confident	106 Å²	106	56.5 Å²	56.5	57%	0.567	32%	0.319	S	S	*	.			trans	-69.2	129.6	-179.6	-70.2	-57.4	0	0	0	111	F58 E59	D35-F58 CarbonylContact O-C 3.56Å; D35-F58 WeakPolarHBondContact O-CA 3.5Å; D35-E59 HydrophobicContact CB-CB 4.14Å; D35-E59 PolarHBondContact O-N 3.02Å
36	I	92.9	Very high	88.6	Confident	28 Å²	28	63.8 Å²	63.8	14%	0.144	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.9	-179	-62.5	174.6	0	0	0	108.9	H27 F30 I31 G34 V39 I56 E57 F58	H27-I36 HydrophobicContact CB-CD1 4.46Å; H27-I36 WeakPolarHBondContact O-CD1 3.5Å; F30-I36 HydrophobicContact CB-CD1 3.94Å; I31-I36 HydrophobicContact CB-CD1 4.29Å; G34-I36 PolarHBondContact O-N 3.28Å; I36-V39 HydrophobicContact CG2-CG2 3.63Å; I36-I56 HydrophobicContact CD1-CG2 4Å; I36-I56 HydrophobicContact CG1-CG2 4.02Å; I36-I56 HydrophobicContact CG2-CG2 3.87Å; I36-E57 CarbonylContact C-O 3.44Å; I36-E57 WeakPolarHBondContact CA-O 3.34Å; I36-F58 HydrophobicContact CG1-CD1 4.24Å; I36-F58 HydrophobicContact CG1-CE1 4Å
37	V	92	Very high	87.6	Confident	79 Å²	79	67.8 Å²	67.8	48%	0.479	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-44.9	176.6	179.5	0	0	0	0	110.8	E57 E59	V37-E57 HydrophobicContact CB-CB 4.28Å; V37-E57 HydrophobicContact CB-CG 4.04Å; V37-E57 VanDerWaalsContact CG1-OE1 3.28Å; V37-E57 WeakPolarHBondContact CG1-OE1 3.19Å; V37-E57 HydrophobicContact CG2-CG 4.49Å; V37-E57 PolarHBondContact N-O 2.78Å; V37-E59 HydrophobicContact CG2-CB 4.16Å
38	D	90.3	Very high	86.4	Confident	93 Å²	93	70.8 Å²	70.8	50%	0.497	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	150.8	-177.3	-169.3	38.4	0	0	0	111.6	E57	D38-E57 HydrophobicContact CB-CB 4.25Å; D38-E57 PolarHBondContact N-O 3.18Å; D38-E57 PolarHBondContact O-N 3.09Å
39	V	91.1	Very high	85.2	Confident	9 Å²	9	72.1 Å²	72.1	6%	0.055	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.8	170.8	-176.2	0	0	0	0	107.8	E23 L26 H27 I36 M41 F55 I56	E23-V39 HydrophobicContact CB-CG1 4.44Å; E23-V39 HydrophobicContact CG-CB 3.6Å; E23-V39 HydrophobicContact CG-CG1 3.54Å; L26-V39 HydrophobicContact CB-CG1 4.15Å; L26-V39 HydrophobicContact CD1-CG1 4.26Å; H27-V39 HydrophobicContact CB-CG2 4.26Å; I36-V39 HydrophobicContact CG2-CG2 3.63Å; V39-M41 HydrophobicContact CG1-CG 4.43Å; V39-F55 CarbonylContact C-O 3.48Å; V39-F55 WeakPolarHBondContact CA-O 3.36Å; V39-I56 HydrophobicContact CG1-CG1 4.2Å; V39-I56 HydrophobicContact CG2-CG1 4.42Å; V39-I56 HydrophobicContact CG2-CG2 4.41Å
40	S	89.1	Confident	84.2	Confident	54 Å²	54	72.1 Å²	72.1	38%	0.378	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.8	-178.1	-171.7	0	0	0	0	110.6	G54 F55	S40-G54 CarbonylContact O-C 3.57Å; S40-G54 VanDerWaalsContact O-CA 3.22Å; S40-G54 WeakPolarHBondContact O-CA 3.47Å; S40-F55 PolarHBondContact N-O 3.25Å; S40-F55 PolarHBondContact O-N 3.34Å
41	M	88.4	Confident	83.5	Confident	27 Å²	27	79.3 Å²	79.3	13%	0.133	41%	0.411	C	S	.	.			trans	-119.2	101.4	177.5	-68.7	-176.5	62.2	0	0	110.4	F17 V21 E23 L26 V39 L43 H50	F17-M41 HydrophobicContact CE2-CE 3.47Å; F17-M41 VanDerWaalsContact CE2-CE 3.47Å; F17-M41 HydrophobicContact CZ-CE 3.75Å; V21-M41 VanDerWaalsContact O-CE 3.25Å; V21-M41 WeakPolarHBondContact O-CE 3.31Å; E23-M41 WeakPolarHBondContact CA-SD 3.45Å; E23-M41 HydrophobicContact CB-SD 4.08Å; E23-M41 PolarHBondContact N-SD 3.26Å; L26-M41 HydrophobicContact CD1-CE 4.21Å; L26-M41 HydrophobicContact CD1-CG 3.8Å; L26-M41 HydrophobicContact CD1-SD 3.48Å; L26-M41 WeakPolarHBondContact CD1-SD 3.48Å; L26-M41 HydrophobicContact CG-SD 4.12Å; V39-M41 HydrophobicContact CG1-CG 4.43Å; M41-L43 PolarHBondContact O-N 2.82Å; M41-H50 HydrophobicContact CE-CB 3.96Å
42	P	82.4	Confident	83.1	Confident	42 Å²	42	76 Å²	76	27%	0.273	40%	0.398	S	S	.	.			trans	-59.9	112.8	175.8	-27.2	37.7	0	0	0	111.5	R51 F53 F55	P42-R51 PolarHBondContact O-N 3.24Å; P42-F53 HydrophobicContact CB-CE2 4.2Å; P42-F53 HydrophobicContact CB-CZ 4.16Å; P42-F53 HydrophobicContact CG-CE2 3.73Å; P42-F53 HydrophobicContact CG-CZ 4.19Å; P42-F55 HydrophobicContact CG-CD2 4.49Å; P42-F55 HydrophobicContact CG-CE2 4.2Å
43	L	81	Confident	82.9	Confident	98 Å²	98	73.3 Å²	73.3	51%	0.513	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.9	172.7	-62.1	171.1	0	0	0	109.7	M41 H50	M41-L43 PolarHBondContact O-N 2.82Å; L43-H50 HydrophobicContact CD2-CB 3.89Å
44	D	74.6	Confident	82.8	Confident	26 Å²	26	71.1 Å²	71.1	14%	0.139	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116	169.5	-164.9	-92	0	0	0	109.3	E46 T47 N48 K49 R51	D44-E46 PolarHBondContact O-N 3.01Å; D44-E46 PolarHBondContact OD1-N 3.3Å; D44-T47 PolarHBondContact O-N 3.38Å; D44-T47 PolarHBondContact OD1-N 3.4Å; D44-T47 PolarHBondContact OD1-OG1 2.79Å; D44-N48 VanDerWaalsContact O-CA 3.25Å; D44-N48 WeakPolarHBondContact O-CA 3.43Å; D44-N48 PolarHBondContact O-N 3.46Å; D44-K49 WeakPolarHBondContact CA-O 3.48Å; D44-K49 WeakPolarHBondContact CB-O 3.22Å; D44-K49 PolarHBondContact N-O 3Å; D44-R51 HydrophobicContact CB-CG 3.97Å; D44-R51 IonicContact OD2-CZ 3.35Å; D44-R51 IonicContact OD2-NE 2.93Å; D44-R51 PolarHBondContact OD2-NE 2.88Å; D44-R51 IonicContact OD2-NH2 2.87Å; D44-R51 PolarHBondContact OD2-NH2 3.43Å
45	F	68.8	Low	82.8	Confident	189 Å²	189	73.4 Å²	73.4	83%	0.829	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.6	-173.8	-71.3	-85.2	0	0	0	113.6
46	E	71.7	Confident	82.7	Confident	181 Å²	181	68.3 Å²	68.3	85%	0.846	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-39.9	-179.7	-60.9	-170.3	107.5	0	0	111.4	D44	D44-E46 PolarHBondContact O-N 3.01Å; D44-E46 PolarHBondContact OD1-N 3.3Å
47	T	71.7	Confident	82.7	Confident	84 Å²	84	69.9 Å²	69.9	52%	0.515	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-11.7	-177	60.5	0	0	0	0	113.7	D44 K49	D44-T47 PolarHBondContact O-N 3.38Å; D44-T47 PolarHBondContact OD1-N 3.4Å; D44-T47 PolarHBondContact OD1-OG1 2.79Å; T47-K49 PolarHBondContact O-N 3.19Å; T47-K49 VanDerWaalsContact O-N 3.16Å; T47-K49 PolarHBondContact OG1-N 2.94Å
48	N	68.5	Low	82.7	Confident	135 Å²	135	66.1 Å²	66.1	72%	0.722	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	20.6	-164.4	-73.8	-80.2	0	0	0	113.5	D44	D44-N48 VanDerWaalsContact O-CA 3.25Å; D44-N48 WeakPolarHBondContact O-CA 3.43Å; D44-N48 PolarHBondContact O-N 3.46Å
49	K	69.1	Low	82.7	Confident	92 Å²	92	66.3 Å²	66.3	40%	0.4	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145.8	177.6	-65.5	-175.7	169.3	-165	0	110	E19 D44 T47	E19-K49 IonicContact OE1-NZ 2.78Å; E19-K49 PolarHBondContact OE1-NZ 3.43Å; E19-K49 WeakPolarHBondContact OE2-CE 3.35Å; E19-K49 IonicContact OE2-NZ 2.67Å; E19-K49 PolarHBondContact OE2-NZ 2.79Å; D44-K49 WeakPolarHBondContact CA-O 3.48Å; D44-K49 WeakPolarHBondContact CB-O 3.22Å; D44-K49 PolarHBondContact N-O 3Å; T47-K49 PolarHBondContact O-N 3.19Å; T47-K49 VanDerWaalsContact O-N 3.16Å; T47-K49 PolarHBondContact OG1-N 2.94Å
50	H	72.6	Confident	82.6	Confident	26 Å²	26	70.6 Å²	70.6	12%	0.12	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	150.7	173	64	80	0	0	0	110.5	F17 G18 E19 V21 M41 L43 G52	F17-H50 AromaticContact CD2-CE1 3.48Å; F17-H50 VanDerWaalsContact CD2-CE1 3.48Å; F17-H50 WeakPolarHBondContact CD2-CE1 3.47Å; F17-H50 AromaticContact CD2-ND1 3.81Å; F17-H50 AromaticContact CE2-CE1 3.47Å; F17-H50 VanDerWaalsContact CE2-CE1 3.47Å; F17-H50 WeakPolarHBondContact CE2-CE1 3.28Å; F17-H50 AromaticContact CE2-ND1 3.36Å; F17-H50 WeakPolarHBondContact CE2-ND1 3.14Å; G18-H50 VanDerWaalsContact C-CE1 3.45Å; G18-H50 PolarHBondContact O-CE1 2.75Å; G18-H50 PolarHBondContact O-NE2 3.35Å; E19-H50 WeakPolarHBondContact CA-NE2 3.28Å; E19-H50 PolarHBondContact O-NE2 2.84Å; V21-H50 PolarHBondContact O-CD2 2.83Å; V21-H50 PolarHBondContact O-NE2 2.87Å; M41-H50 HydrophobicContact CE-CB 3.96Å; L43-H50 HydrophobicContact CD2-CB 3.89Å; H50-G52 PolarHBondContact ND1-N 2.73Å; H50-G52 VanDerWaalsContact ND1-N 3.19Å; H50-G52 PolarHBondContact O-N 2.87Å
51	R	78.4	Confident	82.6	Confident	150 Å²	150	71.9 Å²	71.9	57%	0.566	35%	0.349	S	S	*	.			trans	-76.5	19.9	-175.7	-67.3	-178.3	170.6	178	-1.8	114.5	P42 D44 F53	P42-R51 PolarHBondContact O-N 3.24Å; D44-R51 HydrophobicContact CB-CG 3.97Å; D44-R51 IonicContact OD2-CZ 3.35Å; D44-R51 IonicContact OD2-NE 2.93Å; D44-R51 PolarHBondContact OD2-NE 2.88Å; D44-R51 IonicContact OD2-NH2 2.87Å; D44-R51 PolarHBondContact OD2-NH2 3.43Å; R51-F53 HydrophobicContact CB-CD1 3.55Å; R51-F53 HydrophobicContact CB-CE1 3.31Å; R51-F53 HydrophobicContact CB-CZ 4.28Å; R51-F53 HydrophobicContact CG-CE1 4.16Å; R51-F53 WeakPolarHBondContact O-CD1 3.44Å; R51-F53 PolarHBondContact O-N 2.9Å
52	G	87.1	Confident	82.8	Confident	14 Å²	14	73.5 Å²	73.5	14%	0.144	37%	0.367	C	S	.	.	S	Bend	trans	65.6	21.8	-172.3	0	0	0	0	0	114.6	G15 G16 F17 H50	G15-G52 CarbonylContact C-O 3.58Å; G15-G52 WeakPolarHBondContact CA-O 3.38Å; G16-G52 PolarHBondContact N-O 3.47Å; F17-G52 WeakPolarHBondContact O-CA 3.41Å; H50-G52 PolarHBondContact ND1-N 2.73Å; H50-G52 VanDerWaalsContact ND1-N 3.19Å; H50-G52 PolarHBondContact O-N 2.87Å
53	F	91.2	Very high	83.3	Confident	45 Å²	45	73.3 Å²	73.3	20%	0.197	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160	172.5	74.4	-92.9	0	0	0	112.5	Y13 V14 F17 P42 R51 F55	Y13-F53 HydrophobicContact CD2-CD2 4.37Å; Y13-F53 HydrophobicContact CE2-CB 3.64Å; Y13-F53 AromaticContact CE2-CD2 3.69Å; Y13-F53 HydrophobicContact CE2-CD2 3.69Å; Y13-F53 AromaticContact CE2-CG 3.86Å; Y13-F53 HydrophobicContact CE2-CG 3.86Å; Y13-F53 WeakPolarHBondContact OH-CB 3.47Å; V14-F53 CarbonylContact O-C 3.58Å; V14-F53 WeakPolarHBondContact O-CA 3.41Å; V14-F53 WeakPolarHBondContact O-CB 3.16Å; F17-F53 VanDerWaalsContact CZ-CA 3.44Å; P42-F53 HydrophobicContact CB-CE2 4.2Å; P42-F53 HydrophobicContact CB-CZ 4.16Å; P42-F53 HydrophobicContact CG-CE2 3.73Å; P42-F53 HydrophobicContact CG-CZ 4.19Å; R51-F53 HydrophobicContact CB-CD1 3.55Å; R51-F53 HydrophobicContact CB-CE1 3.31Å; R51-F53 HydrophobicContact CB-CZ 4.28Å; R51-F53 HydrophobicContact CG-CE1 4.16Å; R51-F53 WeakPolarHBondContact O-CD1 3.44Å; R51-F53 PolarHBondContact O-N 2.9Å; F53-F55 HydrophobicContact CD2-CE2 4.08Å; F53-F55 HydrophobicContact CD2-CZ 4.41Å; F53-F55 AromaticContact CE2-CE2 3.83Å; F53-F55 HydrophobicContact CE2-CE2 3.83Å; F53-F55 HydrophobicContact CE2-CZ 4.24Å
54	G	91.6	Very high	83.8	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	177.4	178.8	0	0	0	0	0	111.6	V14 S40	V14-G54 PolarHBondContact N-O 2.93Å; V14-G54 PolarHBondContact O-N 2.87Å; S40-G54 CarbonylContact O-C 3.57Å; S40-G54 VanDerWaalsContact O-CA 3.22Å; S40-G54 WeakPolarHBondContact O-CA 3.47Å
55	F	92.3	Very high	84.7	Confident	63 Å²	63	69.3 Å²	69.3	28%	0.276	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.9	179	-58.3	-87.8	0	0	0	109	T11 V12 Y13 V39 S40 P42 F53 A86	T11-F55 HydrophobicContact CG2-CB 4.16Å; V12-F55 CarbonylContact O-C 3.5Å; V12-F55 VanDerWaalsContact O-CA 3.23Å; V12-F55 WeakPolarHBondContact O-CA 3.33Å; Y13-F55 HydrophobicContact CD2-CD1 4.29Å; Y13-F55 AromaticContact CD2-CE1 3.71Å; Y13-F55 HydrophobicContact CD2-CE1 3.71Å; Y13-F55 HydrophobicContact CD2-CZ 4Å; Y13-F55 HydrophobicContact CG-CE1 4.43Å; V39-F55 CarbonylContact C-O 3.48Å; V39-F55 WeakPolarHBondContact CA-O 3.36Å; S40-F55 PolarHBondContact N-O 3.25Å; S40-F55 PolarHBondContact O-N 3.34Å; P42-F55 HydrophobicContact CG-CD2 4.49Å; P42-F55 HydrophobicContact CG-CE2 4.2Å; F53-F55 HydrophobicContact CD2-CE2 4.08Å; F53-F55 HydrophobicContact CD2-CZ 4.41Å; F53-F55 AromaticContact CE2-CE2 3.83Å; F53-F55 HydrophobicContact CE2-CE2 3.83Å; F53-F55 HydrophobicContact CE2-CZ 4.24Å; F55-A86 HydrophobicContact CD1-CB 3.87Å; F55-A86 HydrophobicContact CE1-CB 4.23Å
56	I	92.6	Very high	85.9	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.4	177.9	-57.6	172.7	0	0	0	106.9	T11 V12 V14 L26 F30 I36 V39 F58	T11-I56 CarbonylContact C-O 3.57Å; T11-I56 VanDerWaalsContact CA-O 3.3Å; T11-I56 WeakPolarHBondContact CA-O 3.39Å; V12-I56 HydrophobicContact CG2-CB 3.75Å; V12-I56 PolarHBondContact N-O 2.86Å; V12-I56 PolarHBondContact O-N 3.37Å; V14-I56 HydrophobicContact CG2-CD1 3.76Å; V14-I56 HydrophobicContact CG2-CG1 4.24Å; L26-I56 HydrophobicContact CB-CD1 4.05Å; F30-I56 HydrophobicContact CB-CD1 3.73Å; F30-I56 HydrophobicContact CB-CG2 4.4Å; F30-I56 HydrophobicContact CD1-CD1 3.79Å; F30-I56 HydrophobicContact CD2-CD1 3.21Å; F30-I56 HydrophobicContact CE1-CD1 4.19Å; F30-I56 HydrophobicContact CE2-CD1 3.66Å; F30-I56 HydrophobicContact CG-CD1 3.28Å; F30-I56 HydrophobicContact CZ-CD1 4.13Å; I36-I56 HydrophobicContact CD1-CG2 4Å; I36-I56 HydrophobicContact CG1-CG2 4.02Å; I36-I56 HydrophobicContact CG2-CG2 3.87Å; V39-I56 HydrophobicContact CG1-CG1 4.2Å; V39-I56 HydrophobicContact CG2-CG1 4.42Å; V39-I56 HydrophobicContact CG2-CG2 4.41Å; I56-F58 HydrophobicContact CG2-CD2 4.32Å; I56-F58 HydrophobicContact CG2-CE2 3.91Å; I56-F58 HydrophobicContact CG2-CZ 4.15Å
57	E	91.7	Very high	86.9	Confident	60 Å²	60	53.4 Å²	53.4	28%	0.28	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.1	174.1	-174.3	169.9	85.4	0	0	109.9	T11 I36 V37 D38	T11-E57 HydrophobicContact CG2-CB 4.47Å; I36-E57 CarbonylContact C-O 3.44Å; I36-E57 WeakPolarHBondContact CA-O 3.34Å; V37-E57 HydrophobicContact CB-CB 4.28Å; V37-E57 HydrophobicContact CB-CG 4.04Å; V37-E57 VanDerWaalsContact CG1-OE1 3.28Å; V37-E57 WeakPolarHBondContact CG1-OE1 3.19Å; V37-E57 HydrophobicContact CG2-CG 4.49Å; V37-E57 PolarHBondContact N-O 2.78Å; D38-E57 HydrophobicContact CB-CB 4.25Å; D38-E57 PolarHBondContact N-O 3.18Å; D38-E57 PolarHBondContact O-N 3.09Å
58	F	92.8	Very high	88	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	158	173.4	-71.8	-86.5	0	0	0	111.8	R10 V12 F30 F33 D35 I36 I56 M60 D63 A64 A67	R10-F58 WeakPolarHBondContact CB-O 3.4Å; R10-F58 PolarHBondContact O-N 2.83Å; V12-F58 HydrophobicContact CG1-CD2 4.25Å; V12-F58 HydrophobicContact CG1-CE2 4.08Å; V12-F58 HydrophobicContact CG2-CD2 4.37Å; V12-F58 HydrophobicContact CG2-CE2 3.75Å; F30-F58 HydrophobicContact CB-CZ 3.96Å; F30-F58 HydrophobicContact CD1-CE2 4.39Å; F30-F58 HydrophobicContact CD1-CZ 4.01Å; F30-F58 HydrophobicContact CG-CZ 4.48Å; F33-F58 HydrophobicContact CB-CE1 4.1Å; F33-F58 HydrophobicContact CB-CZ 4.26Å; D35-F58 CarbonylContact O-C 3.56Å; D35-F58 WeakPolarHBondContact O-CA 3.5Å; I36-F58 HydrophobicContact CG1-CD1 4.24Å; I36-F58 HydrophobicContact CG1-CE1 4Å; I56-F58 HydrophobicContact CG2-CD2 4.32Å; I56-F58 HydrophobicContact CG2-CE2 3.91Å; I56-F58 HydrophobicContact CG2-CZ 4.15Å; F58-M60 WeakPolarHBondContact CB-O 3.23Å; F58-D63 HydrophobicContact CB-CB 4.14Å; F58-D63 HydrophobicContact CD1-CB 3.8Å; F58-D63 HydrophobicContact CE1-CB 4.45Å; F58-D63 HydrophobicContact CG-CB 4.1Å; F58-A64 HydrophobicContact CB-CB 4.27Å; F58-A64 HydrophobicContact CD2-CB 3.78Å; F58-A64 HydrophobicContact CG-CB 4.3Å; F58-A67 HydrophobicContact CE2-CB 3.76Å; F58-A67 HydrophobicContact CZ-CB 3.67Å
59	E	89.4	Confident	89.2	Confident	98 Å²	98	50.3 Å²	50.3	46%	0.458	26%	0.263	S	S	.	.	S	Bend	trans	-66	-43.2	174.6	-171.3	171.4	145.1	0	0	111.3	R10 D35 V37	R10-E59 WeakPolarHBondContact CD-O 3.5Å; R10-E59 PolarHBondContact NH1-O 3.4Å; D35-E59 HydrophobicContact CB-CB 4.14Å; D35-E59 PolarHBondContact O-N 3.02Å; V37-E59 HydrophobicContact CG2-CB 4.16Å
60	M	89.3	Confident	90.4	Very high	99 Å²	99	50.8 Å²	50.8	49%	0.488	27%	0.27	S	S	.	.	S	Bend	trans	-111.3	151.1	-178.8	-56.2	-70.1	-170.6	0	0	112.5	F58 A62 D63 A64	F58-M60 WeakPolarHBondContact CB-O 3.23Å; M60-A62 VanDerWaalsContact C-N 3.34Å; M60-D63 HydrophobicContact CB-CB 4.47Å; M60-D63 WeakPolarHBondContact CB-OD2 3.33Å; M60-A64 PolarHBondContact O-N 2.88Å
61	D	90.3	Very high	91.4	Very high	81 Å²	81	51 Å²	51	43%	0.433	27%	0.272	S	S	.	.	H	α-helix	trans	-74	-26.6	175.1	62.2	-67.4	0	0	0	112.9	K9 R10 A65	K9-D61 HydrophobicContact CB-CB 3.86Å; R10-D61 HydrophobicContact CG-CB 3.97Å; D61-A65 WeakPolarHBondContact O-CB 3.41Å; D61-A65 PolarHBondContact O-N 2.74Å
62	A	91.4	Very high	92.1	Very high	61 Å²	61	46.5 Å²	46.5	50%	0.504	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-41.2	174.3	0	0	0	0	0	111.9	M60 A65 A66	M60-A62 VanDerWaalsContact C-N 3.34Å; A62-A65 WeakPolarHBondContact O-CB 3.47Å; A62-A65 PolarHBondContact O-N 3.47Å; A62-A66 PolarHBondContact O-N 2.79Å
63	D	93.4	Very high	92.4	Very high	37 Å²	37	53.2 Å²	53.2	20%	0.198	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-43.4	-179.6	-56.2	-14.2	0	0	0	110.9	F33 F58 M60 A65 A66 A67	F33-D63 WeakPolarHBondContact O-CB 3.16Å; F58-D63 HydrophobicContact CB-CB 4.14Å; F58-D63 HydrophobicContact CD1-CB 3.8Å; F58-D63 HydrophobicContact CE1-CB 4.45Å; F58-D63 HydrophobicContact CG-CB 4.1Å; M60-D63 HydrophobicContact CB-CB 4.47Å; M60-D63 WeakPolarHBondContact CB-OD2 3.33Å; D63-A65 VanDerWaalsContact C-N 3.31Å; D63-A65 PolarHBondContact O-N 2.99Å; D63-A66 PolarHBondContact O-N 2.87Å; D63-A67 WeakPolarHBondContact O-CB 3.36Å; D63-A67 PolarHBondContact O-N 2.72Å
64	A	92.3	Very high	92.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-41.3	172.6	0	0	0	0	0	112	K9 R10 V12 F58 M60 A67 V68 F85	K9-A64 VanDerWaalsContact O-CB 3.26Å; K9-A64 WeakPolarHBondContact O-CB 3.3Å; R10-A64 WeakPolarHBondContact O-CB 3.41Å; V12-A64 HydrophobicContact CG1-CB 3.75Å; V12-A64 WeakPolarHBondContact CG1-O 3.46Å; F58-A64 HydrophobicContact CB-CB 4.27Å; F58-A64 HydrophobicContact CD2-CB 3.78Å; F58-A64 HydrophobicContact CG-CB 4.3Å; M60-A64 PolarHBondContact O-N 2.88Å; A64-A67 PolarHBondContact O-N 2.9Å; A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.41Å; A64-V68 PolarHBondContact O-N 2.98Å; A64-F85 HydrophobicContact CB-CE1 4.31Å
65	A	92.2	Very high	92.3	Very high	40 Å²	40	59.2 Å²	59.2	33%	0.331	32%	0.319	S	S	.	.	H	α-helix	trans	-65.6	-42.8	176.2	0	0	0	0	0	112.3	D61 A62 D63 A67 V68 D69 F85	D61-A65 WeakPolarHBondContact O-CB 3.41Å; D61-A65 PolarHBondContact O-N 2.74Å; A62-A65 WeakPolarHBondContact O-CB 3.47Å; A62-A65 PolarHBondContact O-N 3.47Å; D63-A65 VanDerWaalsContact C-N 3.31Å; D63-A65 PolarHBondContact O-N 2.99Å; A65-A67 VanDerWaalsContact C-N 3.34Å; A65-V68 PolarHBondContact O-N 3.19Å; A65-D69 WeakPolarHBondContact O-CB 3.26Å; A65-D69 PolarHBondContact O-N 3.15Å; A65-F85 HydrophobicContact CB-CE1 4.18Å; A65-F85 HydrophobicContact CB-CZ 3.72Å
66	A	93.6	Very high	92.1	Very high	37 Å²	37	57 Å²	57	31%	0.306	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-43.5	175.4	0	0	0	0	0	111.3	F33 A62 D63 D69 N70	F33-A66 HydrophobicContact CD1-CB 4.25Å; A62-A66 PolarHBondContact O-N 2.79Å; D63-A66 PolarHBondContact O-N 2.87Å; A66-D69 PolarHBondContact O-N 2.85Å; A66-N70 WeakPolarHBondContact O-CB 3.5Å; A66-N70 PolarHBondContact O-N 3.44Å; A66-N70 PolarHBondContact O-ND2 3.2Å
67	A	94.3	Very high	91.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-45.3	175.5	0	0	0	0	0	112.1	F30 F33 F58 D63 A64 A65 M71	F30-A67 HydrophobicContact CD1-CB 3.91Å; F30-A67 HydrophobicContact CE1-CB 4.18Å; F33-A67 HydrophobicContact CB-CB 3.98Å; F33-A67 HydrophobicContact CD1-CB 4.42Å; F33-A67 HydrophobicContact CD2-CB 3.84Å; F33-A67 HydrophobicContact CG-CB 3.8Å; F58-A67 HydrophobicContact CE2-CB 3.76Å; F58-A67 HydrophobicContact CZ-CB 3.67Å; D63-A67 WeakPolarHBondContact O-CB 3.36Å; D63-A67 PolarHBondContact O-N 2.72Å; A64-A67 PolarHBondContact O-N 2.9Å; A65-A67 VanDerWaalsContact C-N 3.34Å; A67-M71 WeakPolarHBondContact O-CA 3.18Å; A67-M71 WeakPolarHBondContact O-CB 3.47Å; A67-M71 WeakPolarHBondContact O-CG 3.26Å; A67-M71 PolarHBondContact O-N 3.24Å
68	V	94.3	Very high	91.7	Very high	18 Å²	18	62.6 Å²	62.6	11%	0.109	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-46.5	176.5	171.9	0	0	0	0	111.2	V12 A64 A65 N70 N72 V83 F85	V12-V68 HydrophobicContact CB-CG2 4.27Å; V12-V68 HydrophobicContact CG1-CG2 3.67Å; A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.41Å; A64-V68 PolarHBondContact O-N 2.98Å; A65-V68 PolarHBondContact O-N 3.19Å; V68-N70 PolarHBondContact O-N 3.41Å; V68-N72 WeakPolarHBondContact O-CB 3.3Å; V68-N72 PolarHBondContact O-N 3.26Å; V68-N72 VanDerWaalsContact O-N 3.15Å; V68-V83 HydrophobicContact CB-CG1 4.48Å; V68-V83 HydrophobicContact CG2-CG1 4.02Å; V68-F85 HydrophobicContact CB-CE2 4.42Å; V68-F85 HydrophobicContact CG1-CD2 4.49Å; V68-F85 HydrophobicContact CG1-CE2 4.3Å; V68-F85 HydrophobicContact CG2-CD1 4.31Å; V68-F85 HydrophobicContact CG2-CD2 4.32Å; V68-F85 HydrophobicContact CG2-CE1 4.32Å; V68-F85 HydrophobicContact CG2-CE2 4.33Å; V68-F85 HydrophobicContact CG2-CG 4.33Å; V68-F85 HydrophobicContact CG2-CZ 4.35Å
69	D	94.1	Very high	91.6	Very high	135 Å²	135	67.7 Å²	67.7	72%	0.722	37%	0.369	S	S	*	.	H	α-helix	trans	-64.8	-39.4	-177.1	-168.1	-110.1	0	0	0	112.5	A65 A66	A65-D69 WeakPolarHBondContact O-CB 3.26Å; A65-D69 PolarHBondContact O-N 3.15Å; A66-D69 PolarHBondContact O-N 2.85Å
70	N	93.6	Very high	91.8	Very high	102 Å²	102	66.9 Å²	66.9	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-89.6	-33.3	-175.1	-73.2	-89.5	0	0	0	114	F33 A66 V68	F33-N70 HydrophobicContact CD1-CB 4.46Å; F33-N70 HydrophobicContact CE1-CB 3.42Å; F33-N70 VanDerWaalsContact CE1-CB 3.42Å; F33-N70 HydrophobicContact CZ-CB 3.78Å; A66-N70 WeakPolarHBondContact O-CB 3.5Å; A66-N70 PolarHBondContact O-N 3.44Å; A66-N70 PolarHBondContact O-ND2 3.2Å; V68-N70 PolarHBondContact O-N 3.41Å
71	M	93.5	Very high	92	Very high	32 Å²	32	62.1 Å²	62.1	16%	0.158	35%	0.348	C	S	.	.	H	α-helix	trans	-98.8	-16.8	-173.6	-62	-68.5	-81.5	0	0	113.5	A29 F30 F33 A67 K73 G74 I81 V83	A29-M71 HydrophobicContact CB-CE 4.15Å; F30-M71 HydrophobicContact CD1-CG 4.46Å; F30-M71 HydrophobicContact CD2-CE 4.43Å; F30-M71 HydrophobicContact CE1-CB 4.01Å; F30-M71 HydrophobicContact CE1-CG 3.95Å; F30-M71 HydrophobicContact CE2-CE 4.01Å; F30-M71 HydrophobicContact CZ-CB 4.09Å; F30-M71 HydrophobicContact CZ-CE 4.09Å; F30-M71 HydrophobicContact CZ-CG 4.21Å; F33-M71 HydrophobicContact CD2-CG 4.28Å; F33-M71 HydrophobicContact CE1-CG 4.47Å; F33-M71 HydrophobicContact CE2-CE 4.46Å; F33-M71 HydrophobicContact CE2-CG 3.26Å; F33-M71 HydrophobicContact CE2-SD 3.67Å; F33-M71 HydrophobicContact CZ-CG 3.38Å; F33-M71 HydrophobicContact CZ-SD 3.68Å; A67-M71 WeakPolarHBondContact O-CA 3.18Å; A67-M71 WeakPolarHBondContact O-CB 3.47Å; A67-M71 WeakPolarHBondContact O-CG 3.26Å; A67-M71 PolarHBondContact O-N 3.24Å; M71-K73 PolarHBondContact O-N 3.03Å; M71-G74 PolarHBondContact O-N 2.86Å; M71-I81 HydrophobicContact CB-CD1 4.38Å; M71-I81 HydrophobicContact CE-CD1 4Å; M71-V83 HydrophobicContact CB-CB 4.28Å; M71-V83 HydrophobicContact CB-CG2 3.67Å
72	N	93.2	Very high	92.2	Very high	54 Å²	54	62.6 Å²	62.6	29%	0.289	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	123.8	178.6	-175.6	31.8	0	0	0	110.7	V68 G74 V83	V68-N72 WeakPolarHBondContact O-CB 3.3Å; V68-N72 PolarHBondContact O-N 3.26Å; V68-N72 VanDerWaalsContact O-N 3.15Å; N72-G74 PolarHBondContact O-N 2.89Å; N72-V83 HydrophobicContact CB-CB 4.12Å; N72-V83 VanDerWaalsContact CB-O 3.28Å; N72-V83 WeakPolarHBondContact CB-O 2.96Å; N72-V83 PolarHBondContact OD1-N 3.47Å; N72-V83 PolarHBondContact OD1-O 2.83Å
73	K	92.5	Very high	92.4	Very high	155 Å²	155	59.7 Å²	59.7	67%	0.674	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	15.2	-170.6	-51	175.3	176.8	178.2	0	114.1	M71 T80 I81	M71-K73 PolarHBondContact O-N 3.03Å; K73-T80 HydrophobicContact CB-CG2 4.41Å; K73-I81 WeakPolarHBondContact CA-O 3.48Å; K73-I81 PolarHBondContact N-O 3.5Å
74	G	91.6	Very high	92.4	Very high	23 Å²	23	61.7 Å²	61.7	24%	0.237	33%	0.334	C	S	.	.			trans	-67.5	175.1	167.6	0	0	0	0	0	111.8	M71 N72 T80 I81	M71-G74 PolarHBondContact O-N 2.86Å; N72-G74 PolarHBondContact O-N 2.89Å; G74-T80 CarbonylContact O-C 3.51Å; G74-T80 WeakPolarHBondContact O-CA 3.5Å; G74-I81 WeakPolarHBondContact O-CG1 3.47Å; G74-I81 PolarHBondContact O-N 3.39Å
75	E	90.5	Very high	92.3	Very high	148 Å²	148	66 Å²	66	69%	0.692	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	131	176.3	-168.1	-179.2	111.8	0	0	110.4	G78 R79	E75-G78 WeakPolarHBondContact OE1-CA 3.28Å; E75-R79 WeakPolarHBondContact CA-O 2.99Å
76	L	88.6	Confident	92.1	Very high	18 Å²	18	64.5 Å²	64.5	9%	0.094	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.6	174	-169.3	59.4	0	0	0	107.8	F17 V21 T25 L26 A29 G78 R79 I81	F17-L76 HydrophobicContact CB-CD2 4.32Å; V21-L76 HydrophobicContact CG1-CD2 3.98Å; V21-L76 HydrophobicContact CG2-CD2 3.99Å; V21-L76 HydrophobicContact CG2-CG 4.01Å; T25-L76 HydrophobicContact CG2-CD1 4.48Å; L26-L76 HydrophobicContact CD2-CD2 3.95Å; A29-L76 HydrophobicContact CB-CD1 4.26Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 3.35Å; L76-R79 PolarHBondContact N-O 2.82Å; L76-R79 PolarHBondContact O-N 2.97Å; L76-R79 VanDerWaalsContact O-N 3.09Å; L76-I81 HydrophobicContact CB-CD1 4.24Å; L76-I81 HydrophobicContact CB-CG1 4.44Å; L76-I81 HydrophobicContact CB-CG2 3.54Å; L76-I81 HydrophobicContact CD2-CG2 4.13Å; L76-I81 HydrophobicContact CG-CG2 4.45Å
77	F	87.2	Confident	91.3	Very high	120 Å²	120	73.1 Å²	73.1	53%	0.526	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	45.2	-178	-68.5	-108.5	0	0	0	113.2	D20 V21 T25 R79	D20-F77 HydrophobicContact CB-CD1 4.29Å; V21-F77 HydrophobicContact CG2-CB 4.47Å; V21-F77 HydrophobicContact CG2-CD2 3.67Å; V21-F77 HydrophobicContact CG2-CE2 4.14Å; V21-F77 HydrophobicContact CG2-CG 4.15Å; T25-F77 HydrophobicContact CG2-CD2 4.2Å; T25-F77 HydrophobicContact CG2-CE2 3.25Å; T25-F77 HydrophobicContact CG2-CZ 3.76Å; F77-R79 PolarHBondContact O-N 3.33Å
78	G	88.7	Confident	89.8	Confident	57 Å²	57	76.7 Å²	76.7	59%	0.588	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	10	179.4	0	0	0	0	0	114.6	E75 L76	E75-G78 WeakPolarHBondContact OE1-CA 3.28Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 3.35Å
79	R	89.6	Confident	88	Confident	107 Å²	107	81.2 Å²	81.2	40%	0.404	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.7	177.4	-66.7	-176.4	175.8	102.7	-9	110.9	D20 E75 L76 F77 I81	D20-R79 IonicContact OD2-NH1 3.07Å; D20-R79 PolarHBondContact OD2-NH1 3.47Å; E75-R79 WeakPolarHBondContact CA-O 2.99Å; L76-R79 PolarHBondContact N-O 2.82Å; L76-R79 PolarHBondContact O-N 2.97Å; L76-R79 VanDerWaalsContact O-N 3.09Å; F77-R79 PolarHBondContact O-N 3.33Å; R79-I81 PolarHBondContact O-N 3Å
80	T	93.1	Very high	86.1	Confident	80 Å²	80	85.4 Å²	85.4	49%	0.491	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.2	175.3	-52.4	0	0	0	0	110.4	K73 G74	K73-T80 HydrophobicContact CB-CG2 4.41Å; G74-T80 CarbonylContact O-C 3.51Å; G74-T80 WeakPolarHBondContact O-CA 3.5Å
81	I	94.8	Very high	84.1	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	44%	0.439	C	S	.	.			trans	-93.8	148.6	175.4	58.4	166.6	0	0	0	111.3	V14 G15 F17 F30 M71 K73 G74 L76 R79 V83	V14-I81 HydrophobicContact CG1-CD1 4.37Å; G15-I81 CarbonylContact O-C 3.44Å; G15-I81 VanDerWaalsContact O-CA 3.28Å; G15-I81 WeakPolarHBondContact O-CA 3.12Å; F17-I81 HydrophobicContact CB-CG2 4.01Å; F17-I81 HydrophobicContact CD1-CG2 4.47Å; F30-I81 HydrophobicContact CZ-CD1 4.42Å; M71-I81 HydrophobicContact CB-CD1 4.38Å; M71-I81 HydrophobicContact CE-CD1 4Å; K73-I81 WeakPolarHBondContact CA-O 3.48Å; K73-I81 PolarHBondContact N-O 3.5Å; G74-I81 WeakPolarHBondContact O-CG1 3.47Å; G74-I81 PolarHBondContact O-N 3.39Å; L76-I81 HydrophobicContact CB-CD1 4.24Å; L76-I81 HydrophobicContact CB-CG1 4.44Å; L76-I81 HydrophobicContact CB-CG2 3.54Å; L76-I81 HydrophobicContact CD2-CG2 4.13Å; L76-I81 HydrophobicContact CG-CG2 4.45Å; R79-I81 PolarHBondContact O-N 3Å; I81-V83 HydrophobicContact CD1-CG2 3.94Å; I81-V83 HydrophobicContact CG1-CG2 4.35Å
82	H	94.5	Very high	81.8	Confident	91 Å²	91	91.2 Å²	91.2	42%	0.421	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122	173.3	-64.1	90.8	0	0	0	108.2	V14 G15	V14-H82 CarbonylContact C-O 3.52Å; V14-H82 WeakPolarHBondContact CA-O 3.48Å; G15-H82 PolarHBondContact N-O 2.97Å; G15-H82 PolarHBondContact O-N 3.03Å
83	V	95.1	Very high	79.7	Confident	0 Å²	0	97.2 Å²	97.2	0%	0	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.6	-179.4	-171.9	0	0	0	0	108.2	V12 Y13 V14 F30 V68 M71 N72 I81	V12-V83 HydrophobicContact CB-CG1 4.23Å; V12-V83 HydrophobicContact CG2-CG1 4.43Å; Y13-V83 VanDerWaalsContact O-CA 3.26Å; Y13-V83 WeakPolarHBondContact O-CA 3.4Å; V14-V83 HydrophobicContact CG1-CG2 4.23Å; V14-V83 HydrophobicContact CG2-CG1 4.42Å; V14-V83 HydrophobicContact CG2-CG2 4.43Å; F30-V83 HydrophobicContact CE1-CG1 3.97Å; F30-V83 HydrophobicContact CE1-CG2 4.24Å; F30-V83 HydrophobicContact CZ-CG1 4.33Å; F30-V83 HydrophobicContact CZ-CG2 3.85Å; V68-V83 HydrophobicContact CB-CG1 4.48Å; V68-V83 HydrophobicContact CG2-CG1 4.02Å; M71-V83 HydrophobicContact CB-CB 4.28Å; M71-V83 HydrophobicContact CB-CG2 3.67Å; N72-V83 HydrophobicContact CB-CB 4.12Å; N72-V83 VanDerWaalsContact CB-O 3.28Å; N72-V83 WeakPolarHBondContact CB-O 2.96Å; N72-V83 PolarHBondContact OD1-N 3.47Å; N72-V83 PolarHBondContact OD1-O 2.83Å; I81-V83 HydrophobicContact CD1-CG2 3.94Å; I81-V83 HydrophobicContact CG1-CG2 4.35Å
84	N	93.3	Very high	77.7	Confident	79 Å²	79	100.4 Å²	100.4	42%	0.422	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.7	179	-73.7	-75.8	0	0	0	109.3	V12 Y13 A86	V12-N84 CarbonylContact C-O 3.48Å; V12-N84 WeakPolarHBondContact CA-O 3.47Å; Y13-N84 PolarHBondContact N-O 2.67Å; Y13-N84 PolarHBondContact O-N 2.78Å; N84-A86 PolarHBondContact O-N 3.4Å
85	F	91.2	Very high	75.7	Confident	91 Å²	91	108 Å²	108	40%	0.399	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	128.7	167.5	-65.9	-76.4	0	0	0	109.9	A64 A65 V68 R87	A64-F85 HydrophobicContact CB-CE1 4.31Å; A65-F85 HydrophobicContact CB-CE1 4.18Å; A65-F85 HydrophobicContact CB-CZ 3.72Å; V68-F85 HydrophobicContact CB-CE2 4.42Å; V68-F85 HydrophobicContact CG1-CD2 4.49Å; V68-F85 HydrophobicContact CG1-CE2 4.3Å; V68-F85 HydrophobicContact CG2-CD1 4.31Å; V68-F85 HydrophobicContact CG2-CD2 4.32Å; V68-F85 HydrophobicContact CG2-CE1 4.32Å; V68-F85 HydrophobicContact CG2-CE2 4.33Å; V68-F85 HydrophobicContact CG2-CG 4.33Å; V68-F85 HydrophobicContact CG2-CZ 4.35Å; F85-R87 PolarHBondContact O-N 2.78Å
86	A	86.6	Confident	73.8	Confident	8 Å²	8	108.2 Å²	108.2	7%	0.066	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-61.9	136.2	175.4	0	0	0	0	0	108.1	T11 F55 N84	T11-A86 HydrophobicContact CG2-CB 3.7Å; T11-A86 VanDerWaalsContact O-CB 3.31Å; T11-A86 WeakPolarHBondContact O-CB 3.13Å; T11-A86 PolarHBondContact O-N 3.16Å; F55-A86 HydrophobicContact CD1-CB 3.87Å; F55-A86 HydrophobicContact CE1-CB 4.23Å; N84-A86 PolarHBondContact O-N 3.4Å
87	R	76.4	Confident	71.7	Confident	217 Å²	217	114.2 Å²	114.2	82%	0.819	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-68.7	139.2	167	-61.9	-60.6	-175.4	173.6	-2	106.7	F85 P89	F85-R87 PolarHBondContact O-N 2.78Å; R87-P89 VanDerWaalsContact O-N 3.15Å
88	P	64.4	Low	70.1	Confident	76 Å²	76	111 Å²	111	49%	0.494	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-50.3	130.6	170.8	22.6	-32.3	0	0	0	106.5	R90	P88-R90 PolarHBondContact O-N 3.32Å
89	P	56.4	Low	68.4	Low	112 Å²	112	115 Å²	115	73%	0.727	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-51.6	122.6	173.7	22	-30.3	0	0	0	105.1	R87 P91	R87-P89 VanDerWaalsContact O-N 3.15Å; P89-P91 VanDerWaalsContact O-N 3.11Å
90	R	54.1	Low	66.7	Low	223 Å²	223	120.3 Å²	120.3	84%	0.842	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-48.9	131.3	166.9	-71.1	-159.1	-120.4	-130.5	3.6	104.5	P88 N92	P88-R90 PolarHBondContact O-N 3.32Å; R90-N92 WeakPolarHBondContact O-CA 3.31Å; R90-N92 WeakPolarHBondContact O-CB 3.29Å; R90-N92 PolarHBondContact O-N 2.79Å
91	P	50.4	Low	64.8	Low	134 Å²	134	118.6 Å²	118.6	87%	0.87	58%	0.577	S	S	*	*			trans	-57	91.4	178.3	19.7	-29.7	0	0	0	106.9	P89	P89-P91 VanDerWaalsContact O-N 3.11Å
92	N	45.8	Very low	62.6	Low	123 Å²	123	122.8 Å²	122.8	66%	0.658	60%	0.599	S	S	*	*			trans	-96.5	112.4	-176	-162.1	27.2	0	0	0	101.8	R90 R94 M95	R90-N92 WeakPolarHBondContact O-CA 3.31Å; R90-N92 WeakPolarHBondContact O-CB 3.29Å; R90-N92 PolarHBondContact O-N 2.79Å; N92-R94 PolarHBondContact O-N 3.47Å; N92-M95 PolarHBondContact O-N 2.8Å
93	E	48.9	Very low	60.8	Low	180 Å²	180	124.3 Å²	124.3	84%	0.841	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50	2.1	-169.9	-157.4	140.9	59.6	0	0	115.9
94	R	50.2	Low	59.1	Low	221 Å²	221	131.1 Å²	131.1	83%	0.834	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-4.5	-177.1	-62.9	-173.7	77.1	-177.9	3.7	115.1	N92	N92-R94 PolarHBondContact O-N 3.47Å
95	M	51.2	Low	57.4	Low	184 Å²	184	136 Å²	136	91%	0.906	66%	0.655	S	S	*	*	S	Bend	trans	-113.7	5.6	-178.2	-139.8	149.4	134.7	0	0	114.4	N92	N92-M95 PolarHBondContact O-N 2.8Å
96	L	49.3	Very low	55.8	Low	151 Å²	151	137.6 Å²	137.6	79%	0.791	67%	0.667	S	S	*	*			trans	-113.1	42.9	172.4	-71.3	168.8	0	0	0	111.5	P98	L96-P98 WeakPolarHBondContact O-CD 3.43Å
97	K	44.8	Very low	54.7	Low	144 Å²	144	145 Å²	145	63%	0.626	70%	0.698	S	S	*	*			trans	-93.7	91.9	159.8	-70.8	-164.4	179.7	-169	0	107.9	A101	K97-A101 HydrophobicContact CB-CB 4.29Å; K97-A101 HydrophobicContact CG-CB 4.44Å
98	P	52.8	Low	54.2	Low	52 Å²	52	141.8 Å²	141.8	34%	0.338	69%	0.692	S	S	.	*			trans	-51.3	144.4	160	23.1	-32.5	0	0	0	108.5	L96 W100 A101	L96-P98 WeakPolarHBondContact O-CD 3.43Å; P98-W100 HydrophobicContact CB-CD2 3.8Å; P98-W100 VanDerWaalsContact CB-CE2 3.41Å; P98-W100 HydrophobicContact CB-CE3 4.42Å; P98-W100 HydrophobicContact CB-CG 4.16Å; P98-W100 HydrophobicContact CB-CH2 4.33Å; P98-W100 HydrophobicContact CB-CZ2 3.71Å; P98-W100 HydrophobicContact CG-CD2 4.16Å; P98-W100 VanDerWaalsContact CG-CE2 3.41Å; P98-W100 HydrophobicContact CG-CG 4.29Å; P98-W100 HydrophobicContact CG-CZ2 3.82Å; P98-W100 PolarHBondContact O-N 3.23Å; P98-A101 HydrophobicContact CG-CB 4.35Å; P98-A101 VanDerWaalsContact O-CB 3.29Å; P98-A101 WeakPolarHBondContact O-CB 3.49Å; P98-A101 PolarHBondContact O-N 3.41Å
99	V	53.1	Low	54.4	Low	143 Å²	143	146.2 Å²	146.2	87%	0.867	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-52.5	-15.2	-176.3	152.6	0	0	0	0	114.1
100	W	55.2	Low	54.6	Low	217 Å²	217	146.6 Å²	146.6	82%	0.822	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-82.9	-4.4	172.1	62.1	58.4	0	0	0	115.4	P98	P98-W100 HydrophobicContact CB-CD2 3.8Å; P98-W100 VanDerWaalsContact CB-CE2 3.41Å; P98-W100 HydrophobicContact CB-CE3 4.42Å; P98-W100 HydrophobicContact CB-CG 4.16Å; P98-W100 HydrophobicContact CB-CH2 4.33Å; P98-W100 HydrophobicContact CB-CZ2 3.71Å; P98-W100 HydrophobicContact CG-CD2 4.16Å; P98-W100 VanDerWaalsContact CG-CE2 3.41Å; P98-W100 HydrophobicContact CG-CG 4.29Å; P98-W100 HydrophobicContact CG-CZ2 3.82Å; P98-W100 PolarHBondContact O-N 3.23Å
101	A	53.6	Low	54.6	Low	45 Å²	45	142.8 Å²	142.8	37%	0.372	72%	0.718	S	S	.	*	G	3₁₀ helix	trans	-94.1	7.4	-177.6	0	0	0	0	0	113.5	K97 P98 D103	K97-A101 HydrophobicContact CB-CB 4.29Å; K97-A101 HydrophobicContact CG-CB 4.44Å; P98-A101 HydrophobicContact CG-CB 4.35Å; P98-A101 VanDerWaalsContact O-CB 3.29Å; P98-A101 WeakPolarHBondContact O-CB 3.49Å; P98-A101 PolarHBondContact O-N 3.41Å; A101-D103 PolarHBondContact O-N 2.68Å
102	D	47.1	Very low	54.8	Low	88 Å²	88	143.2 Å²	143.2	47%	0.471	71%	0.71	S	S	.	*			trans	-84	106.3	168.7	-118.4	-90.4	0	0	0	109.1	E104 W105	D102-E104 PolarHBondContact O-N 2.58Å; D102-W105 PolarHBondContact O-N 2.95Å
103	D	57.3	Low	55.3	Low	122 Å²	122	144.3 Å²	144.3	65%	0.652	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-11.6	177.7	-147.2	-103.5	0	0	0	112.8	A101	A101-D103 PolarHBondContact O-N 2.68Å
104	E	58.7	Low	55.7	Low	143 Å²	143	142.2 Å²	142.2	67%	0.668	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-29.1	174.5	-71.2	-93.2	102.3	0	0	112.8	D102	D102-E104 PolarHBondContact O-N 2.58Å
105	W	58.2	Low	56.1	Low	181 Å²	181	137.3 Å²	137.3	69%	0.686	70%	0.698	S	S	*	*	H	α-helix	trans	-77.4	-29.3	-177.7	-148.3	83.3	0	0	0	112.9	D102 K107	D102-W105 PolarHBondContact O-N 2.95Å; W105-K107 VanDerWaalsContact C-N 3.33Å; W105-K107 PolarHBondContact O-N 3.23Å
106	L	58	Low	56.4	Low	125 Å²	125	134.2 Å²	134.2	65%	0.654	68%	0.684	S	S	*	*	H	α-helix	trans	-75.2	-17.7	176.1	-83.9	168.1	0	0	0	113.7	G110	L106-G110 PolarHBondContact O-N 2.73Å
107	K	63.1	Low	56.9	Low	165 Å²	165	133 Å²	133	72%	0.717	68%	0.676	S	S	*	*	H	α-helix	trans	-84.5	-17.6	176.9	-94.6	175.2	177.9	164.3	0	114.4	W105	W105-K107 VanDerWaalsContact C-N 3.33Å; W105-K107 PolarHBondContact O-N 3.23Å
108	Q	65.5	Low	57.8	Low	148 Å²	148	132.2 Å²	132.2	69%	0.692	68%	0.68	S	S	*	*	H	α-helix	trans	-101.6	-19.3	-176.4	-166.6	167.8	-28.8	0	0	113.7
109	Y	69.3	Low	58.2	Low	169 Å²	169	138.8 Å²	138.8	66%	0.663	71%	0.708	S	S	*	*	H	α-helix	trans	-135.3	12.6	-178	-67.6	-83	0	0	0	114.5
110	G	59.9	Low	58.7	Low	120 Å²	120	138.5 Å²	138.5	100%	1.237	69%	0.694	S	S	*	*			trans	-103	0	175.4	0	0	0	0	0	113.2	L106	L106-G110 PolarHBondContact O-N 2.73Å

Retrieved 110 of 110 residues in 236.6 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).