A0A077ZL65_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 aa.

						>A0A077ZL65_TRITR|A0A077ZL65
MVYRITPHPSTQLTPSEMFLKGRIRTMFDLMFPRGIEARQIKETSRKCGDRHFKIGDKVRVRDYMQERNPWREGIIVGQRGQVMWFIRVKEMTWKRHTYQLRRVSAELENGEAAAQDVELASLPDEETAICSEQRPASSIRGQRE
					

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	59.4	Low	84.2	Confident	229 Å²	229	115.8 Å²	115.8	100%	1.128	62%	0.616	S	S	*	*				0	135.6	0	-74.7	-177	-168.7	0	0	108.6
2	V	79.4	Confident	84.8	Confident	144 Å²	144	117.8 Å²	117.8	87%	0.873	62%	0.619	S	S	*	*			trans	-117.7	126.8	175.4	-179	0	0	0	0	107.8
3	Y	79.6	Confident	85.2	Confident	103 Å²	103	115.5 Å²	115.5	40%	0.404	61%	0.607	S	S	.	*			trans	-78.5	147.3	177.6	-71.5	-87.4	0	0	0	111.3	F19 I24	Y3-F19 AromaticContact CE1-CD1 4Å; Y3-F19 HydrophobicContact CE1-CD1 4Å; Y3-F19 HydrophobicContact CE2-CD1 4.48Å; Y3-F19 AromaticContact CZ-CD1 3.74Å; Y3-F19 AromaticContact CZ-CE1 3.9Å; Y3-F19 WeakPolarHBondContact OH-CD1 3.38Å; Y3-F19 WeakPolarHBondContact OH-CE1 3.07Å; Y3-I24 HydrophobicContact CD2-CD1 4.15Å; Y3-I24 HydrophobicContact CG-CD1 4.48Å
4	R	83.7	Confident	85.6	Confident	197 Å²	197	108.1 Å²	108.1	74%	0.743	57%	0.569	S	S	*	*			trans	-83.3	141.5	178.1	-63.1	-176.8	-179.4	176.3	0	110.8
5	I	86.5	Confident	85.7	Confident	73 Å²	73	105 Å²	105	37%	0.374	56%	0.557	S	S	.	*			trans	-99.3	2.7	173.2	60.2	154.7	0	0	0	113.8	T14 T26	I5-T14 VanDerWaalsContact C-CG2 3.46Å; I5-T14 WeakPolarHBondContact O-CG2 3.48Å; I5-T26 HydrophobicContact CB-CG2 4.32Å; I5-T26 HydrophobicContact CD1-CG2 3.93Å; I5-T26 HydrophobicContact CG1-CG2 4.19Å; I5-T26 HydrophobicContact CG2-CG2 3.32Å
6	T	88.6	Confident	85.8	Confident	100 Å²	100	98.5 Å²	98.5	61%	0.613	52%	0.523	S	S	*	.	S	Bend	trans	-72.4	124.8	174.2	-49.8	0	0	0	0	108.5
7	P	89.4	Confident	86.1	Confident	69 Å²	69	95.2 Å²	95.2	45%	0.448	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-64.1	141	176.9	27.2	-33.8	0	0	0	109.9
8	H	88.2	Confident	86.3	Confident	93 Å²	93	95.8 Å²	95.8	43%	0.431	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-79.7	134.3	175.9	179	-97.2	0	0	0	109.9	S10 T11 Q12 L13	H8-S10 VanDerWaalsContact C-N 3.27Å; H8-S10 PolarHBondContact ND1-N 3.13Å; H8-S10 PolarHBondContact O-N 3.05Å; H8-S10 VanDerWaalsContact O-N 3.16Å; H8-T11 WeakPolarHBondContact CB-OG1 3.13Å; H8-T11 PolarHBondContact ND1-OG1 2.76Å; H8-T11 PolarHBondContact O-N 3.32Å; H8-Q12 WeakPolarHBondContact O-CA 3.38Å; H8-Q12 PolarHBondContact O-N 2.97Å; H8-L13 PolarHBondContact N-O 3.42Å; H8-L13 VanDerWaalsContact N-O 3.08Å
9	P	90.4	Very high	86.5	Confident	105 Å²	105	97.7 Å²	97.7	68%	0.682	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.6	-170.2	20.9	-34.4	0	0	0	114.5	Q12	P9-Q12 PolarHBondContact O-NE2 2.81Å
10	S	92.9	Very high	86.5	Confident	102 Å²	102	97.2 Å²	97.2	71%	0.713	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-39.1	180	177.2	0	0	0	0	113.1	H8	H8-S10 VanDerWaalsContact C-N 3.27Å; H8-S10 PolarHBondContact ND1-N 3.13Å; H8-S10 PolarHBondContact O-N 3.05Å; H8-S10 VanDerWaalsContact O-N 3.16Å
11	T	88.6	Confident	86.6	Confident	59 Å²	59	102 Å²	102	36%	0.362	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-12.6	-172.3	33.5	0	0	0	0	113.3	H8 L13 M18	H8-T11 WeakPolarHBondContact CB-OG1 3.13Å; H8-T11 PolarHBondContact ND1-OG1 2.76Å; H8-T11 PolarHBondContact O-N 3.32Å; T11-L13 PolarHBondContact O-N 3Å; T11-M18 HydrophobicContact CG2-CE 4.14Å; T11-M18 HydrophobicContact CG2-SD 4.08Å
12	Q	90.5	Very high	87.9	Confident	140 Å²	140	92.6 Å²	92.6	65%	0.654	49%	0.485	S	S	*	.	S	Bend	trans	56.6	0.7	-175.5	-57.9	-66.3	-7.8	0	0	115.3	H8 P9	H8-Q12 WeakPolarHBondContact O-CA 3.38Å; H8-Q12 PolarHBondContact O-N 2.97Å; P9-Q12 PolarHBondContact O-NE2 2.81Å
13	L	90.3	Very high	88.2	Confident	88 Å²	88	93.8 Å²	93.8	46%	0.461	47%	0.474	S	S	.	.	S	Bend	trans	-105.9	152.2	176.6	-63.7	178.2	0	0	0	109.9	H8 T11 M18	H8-L13 PolarHBondContact N-O 3.42Å; H8-L13 VanDerWaalsContact N-O 3.08Å; T11-L13 PolarHBondContact O-N 3Å; L13-M18 HydrophobicContact CB-CG 3.93Å; L13-M18 HydrophobicContact CD1-CG 4.42Å
14	T	90.5	Very high	88.5	Confident	12 Å²	12	91.7 Å²	91.7	7%	0.074	47%	0.469	C	S	.	.			trans	-73.7	147.5	174.7	65.1	0	0	0	0	110	I5 S16 E17 M18	I5-T14 VanDerWaalsContact C-CG2 3.46Å; I5-T14 WeakPolarHBondContact O-CG2 3.48Å; T14-S16 PolarHBondContact O-N 2.76Å; T14-S16 VanDerWaalsContact O-N 3.1Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.33Å; T14-E17 PolarHBondContact N-OE2 3.2Å; T14-E17 VanDerWaalsContact N-OE2 3.08Å; T14-E17 PolarHBondContact O-N 2.93Å; T14-E17 VanDerWaalsContact OG1-CB 3.27Å; T14-E17 WeakPolarHBondContact OG1-CB 3.29Å; T14-E17 WeakPolarHBondContact OG1-CG 3.34Å; T14-E17 PolarHBondContact OG1-N 3.48Å; T14-E17 VanDerWaalsContact OG1-N 3.08Å; T14-E17 PolarHBondContact OG1-OE2 3.45Å; T14-M18 PolarHBondContact O-N 2.82Å
15	P	88.1	Confident	88.6	Confident	61 Å²	61	91.6 Å²	91.6	40%	0.396	47%	0.469	S	S	.	.	H	α-helix	trans	-54.2	-33.4	175	-27	34.6	0	0	0	112.5	F19	P15-F19 WeakPolarHBondContact O-CB 3.45Å; P15-F19 PolarHBondContact O-N 2.88Å; P15-F19 VanDerWaalsContact O-N 3.09Å
16	S	87.7	Confident	88.5	Confident	1 Å²	1	89.5 Å²	89.5	1%	0.007	46%	0.459	C	S	.	.	H	α-helix	trans	-68	-41.6	176.1	-162.6	0	0	0	0	113.6	T14 F19 L20 I24	T14-S16 PolarHBondContact O-N 2.76Å; T14-S16 VanDerWaalsContact O-N 3.1Å; S16-F19 PolarHBondContact O-N 3.14Å; S16-L20 WeakPolarHBondContact O-CB 3.38Å; S16-L20 PolarHBondContact O-N 2.75Å; S16-I24 WeakPolarHBondContact OG-CD1 3.23Å; S16-I24 WeakPolarHBondContact OG-CG1 3.47Å
17	E	91	Very high	88.4	Confident	42 Å²	42	91.7 Å²	91.7	20%	0.196	46%	0.464	C	S	.	.	H	α-helix	trans	-68.6	-37.6	176.8	-78.9	161.6	165.2	0	0	111.2	T14 F19 K21 G22 R23	T14-E17 WeakPolarHBondContact CG2-OE2 3.33Å; T14-E17 PolarHBondContact N-OE2 3.2Å; T14-E17 VanDerWaalsContact N-OE2 3.08Å; T14-E17 PolarHBondContact O-N 2.93Å; T14-E17 VanDerWaalsContact OG1-CB 3.27Å; T14-E17 WeakPolarHBondContact OG1-CB 3.29Å; T14-E17 WeakPolarHBondContact OG1-CG 3.34Å; T14-E17 PolarHBondContact OG1-N 3.48Å; T14-E17 VanDerWaalsContact OG1-N 3.08Å; T14-E17 PolarHBondContact OG1-OE2 3.45Å; E17-F19 VanDerWaalsContact C-N 3.3Å; E17-F19 PolarHBondContact O-N 3.11Å; E17-K21 WeakPolarHBondContact O-CA 3.47Å; E17-K21 PolarHBondContact O-N 2.89Å; E17-G22 WeakPolarHBondContact CA-O 3.05Å; E17-G22 WeakPolarHBondContact CG-O 3.35Å; E17-R23 HydrophobicContact CG-CB 4.2Å; E17-R23 WeakPolarHBondContact OE1-CB 3.36Å; E17-R23 WeakPolarHBondContact OE1-CG 3.29Å
18	M	89.2	Confident	88.2	Confident	107 Å²	107	94.7 Å²	94.7	53%	0.527	47%	0.47	S	S	.	.	H	α-helix	trans	-62.2	-40.3	174.1	-69.2	-177.2	64.5	0	0	111.5	T11 L13 T14	T11-M18 HydrophobicContact CG2-CE 4.14Å; T11-M18 HydrophobicContact CG2-SD 4.08Å; L13-M18 HydrophobicContact CB-CG 3.93Å; L13-M18 HydrophobicContact CD1-CG 4.42Å; T14-M18 PolarHBondContact O-N 2.82Å
19	F	88.9	Confident	88.1	Confident	131 Å²	131	91.3 Å²	91.3	58%	0.575	46%	0.456	S	S	*	.	H	α-helix	trans	-77.7	-47.3	-178.6	-178.9	-121.7	0	0	0	113.3	Y3 P15 S16 E17	Y3-F19 AromaticContact CE1-CD1 4Å; Y3-F19 HydrophobicContact CE1-CD1 4Å; Y3-F19 HydrophobicContact CE2-CD1 4.48Å; Y3-F19 AromaticContact CZ-CD1 3.74Å; Y3-F19 AromaticContact CZ-CE1 3.9Å; Y3-F19 WeakPolarHBondContact OH-CD1 3.38Å; Y3-F19 WeakPolarHBondContact OH-CE1 3.07Å; P15-F19 WeakPolarHBondContact O-CB 3.45Å; P15-F19 PolarHBondContact O-N 2.88Å; P15-F19 VanDerWaalsContact O-N 3.09Å; S16-F19 PolarHBondContact O-N 3.14Å; E17-F19 VanDerWaalsContact C-N 3.3Å; E17-F19 PolarHBondContact O-N 3.11Å
20	L	87.2	Confident	87.7	Confident	87 Å²	87	92.4 Å²	92.4	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-98.5	1.4	-173.9	-60.5	-177.5	0	0	0	113.9	S16 G22 I24	S16-L20 WeakPolarHBondContact O-CB 3.38Å; S16-L20 PolarHBondContact O-N 2.75Å; L20-G22 PolarHBondContact O-N 3.48Å; L20-I24 HydrophobicContact CD1-CD1 3.43Å; L20-I24 VanDerWaalsContact CD1-CD1 3.43Å; L20-I24 HydrophobicContact CD1-CG1 3.61Å
21	K	88.8	Confident	87.4	Confident	199 Å²	199	93.5 Å²	93.5	87%	0.865	45%	0.45	S	S	*	.	S	Bend	trans	53.6	26.1	-176.9	-57.7	178.9	178.4	178.2	0	113.3	E17	E17-K21 WeakPolarHBondContact O-CA 3.47Å; E17-K21 PolarHBondContact O-N 2.89Å
22	G	87.3	Confident	87.2	Confident	32 Å²	32	97.2 Å²	97.2	33%	0.33	46%	0.462	S	S	.	.	S	Bend	trans	-166.2	155.2	-175	0	0	0	0	0	112.2	E17 L20 I24	E17-G22 WeakPolarHBondContact CA-O 3.05Å; E17-G22 WeakPolarHBondContact CG-O 3.35Å; L20-G22 PolarHBondContact O-N 3.48Å; G22-I24 PolarHBondContact O-N 2.79Å
23	R	85.9	Confident	86.7	Confident	169 Å²	169	93.7 Å²	93.7	64%	0.638	45%	0.451	S	S	*	.			trans	-80.2	113.5	-179	-170.5	167.9	170.3	165.6	-0.2	110.4	E17	E17-R23 HydrophobicContact CG-CB 4.2Å; E17-R23 WeakPolarHBondContact OE1-CB 3.36Å; E17-R23 WeakPolarHBondContact OE1-CG 3.29Å
24	I	85.8	Confident	86.1	Confident	58 Å²	58	96.7 Å²	96.7	30%	0.297	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-63.7	144.4	172.9	-67.1	-173.9	0	0	0	109.9	Y3 S16 L20 G22	Y3-I24 HydrophobicContact CD2-CD1 4.15Å; Y3-I24 HydrophobicContact CG-CD1 4.48Å; S16-I24 WeakPolarHBondContact OG-CD1 3.23Å; S16-I24 WeakPolarHBondContact OG-CG1 3.47Å; L20-I24 HydrophobicContact CD1-CD1 3.43Å; L20-I24 VanDerWaalsContact CD1-CD1 3.43Å; L20-I24 HydrophobicContact CD1-CG1 3.61Å; G22-I24 PolarHBondContact O-N 2.79Å
25	R	84.9	Confident	85.3	Confident	196 Å²	196	99.1 Å²	99.1	74%	0.74	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-77.8	125.8	169.8	-60.7	-174.1	-174.8	-176.8	2.4	110.8
26	T	85.3	Confident	84.6	Confident	28 Å²	28	103 Å²	103	17%	0.172	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-98.5	168.3	172.6	62.5	0	0	0	0	111.7	I5 F28 D29 L30	I5-T26 HydrophobicContact CB-CG2 4.32Å; I5-T26 HydrophobicContact CD1-CG2 3.93Å; I5-T26 HydrophobicContact CG1-CG2 4.19Å; I5-T26 HydrophobicContact CG2-CG2 3.32Å; T26-F28 PolarHBondContact O-N 3.33Å; T26-F28 PolarHBondContact OG1-N 3.29Å; T26-D29 PolarHBondContact N-OD2 2.73Å; T26-D29 WeakPolarHBondContact O-CB 3.47Å; T26-D29 PolarHBondContact O-N 2.83Å; T26-D29 PolarHBondContact OG1-N 2.82Å; T26-D29 PolarHBondContact OG1-OD2 2.85Å; T26-L30 PolarHBondContact O-N 2.85Å
27	M	86.4	Confident	83.8	Confident	147 Å²	147	109 Å²	109	72%	0.724	53%	0.527	S	S	*	.	H	α-helix	trans	-54.4	-36.3	169.1	-178.6	-175.5	64.8	0	0	112.4	D29 L30 M31	M27-D29 VanDerWaalsContact C-N 3.35Å; M27-L30 WeakPolarHBondContact O-CB 3.42Å; M27-L30 PolarHBondContact O-N 2.75Å; M27-M31 PolarHBondContact O-N 2.69Å
28	F	84.2	Confident	82.8	Confident	131 Å²	131	108.2 Å²	108.2	58%	0.575	53%	0.528	S	S	*	.	H	α-helix	trans	-65.5	-37.1	174.6	-83.7	-76.7	0	0	0	112.5	T26 L30 M31 F32	T26-F28 PolarHBondContact O-N 3.33Å; T26-F28 PolarHBondContact OG1-N 3.29Å; F28-L30 PolarHBondContact O-N 2.88Å; F28-M31 HydrophobicContact CD1-CE 4.22Å; F28-M31 HydrophobicContact CE1-CE 4.34Å; F28-M31 WeakPolarHBondContact O-CB 3.33Å; F28-M31 PolarHBondContact O-N 3.49Å; F28-F32 WeakPolarHBondContact O-CD2 3.37Å
29	D	85.6	Confident	81.8	Confident	23 Å²	23	111.1 Å²	111.1	12%	0.123	53%	0.533	C	S	.	.	H	α-helix	trans	-65.8	-26.7	175.1	-63.7	-63.1	0	0	0	112.4	T26 M27 R34	T26-D29 PolarHBondContact N-OD2 2.73Å; T26-D29 WeakPolarHBondContact O-CB 3.47Å; T26-D29 PolarHBondContact O-N 2.83Å; T26-D29 PolarHBondContact OG1-N 2.82Å; T26-D29 PolarHBondContact OG1-OD2 2.85Å; M27-D29 VanDerWaalsContact C-N 3.35Å; D29-R34 IonicContact OD1-NH2 3.46Å; D29-R34 PolarHBondContact OD1-NH2 3.19Å
30	L	83.4	Confident	80.9	Confident	128 Å²	128	110.4 Å²	110.4	67%	0.67	53%	0.531	S	S	*	.	H	α-helix	trans	-76.9	-21.3	175.9	-60.6	177.7	0	0	0	113	T26 M27 F28 F32	T26-L30 PolarHBondContact O-N 2.85Å; M27-L30 WeakPolarHBondContact O-CB 3.42Å; M27-L30 PolarHBondContact O-N 2.75Å; F28-L30 PolarHBondContact O-N 2.88Å; L30-F32 PolarHBondContact O-N 2.96Å
31	M	86.7	Confident	80.1	Confident	124 Å²	124	111 Å²	111	61%	0.611	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-27.9	178.3	-168.4	-178.2	-64.9	0	0	111.9	M27 F28	M27-M31 PolarHBondContact O-N 2.69Å; F28-M31 HydrophobicContact CD1-CE 4.22Å; F28-M31 HydrophobicContact CE1-CE 4.34Å; F28-M31 WeakPolarHBondContact O-CB 3.33Å; F28-M31 PolarHBondContact O-N 3.49Å
32	F	83.8	Confident	79.2	Confident	138 Å²	138	108 Å²	108	61%	0.605	52%	0.521	S	S	*	.	S	Bend	trans	-104.1	121.2	-178.6	-58.8	-72.4	0	0	0	110.2	F28 L30 R34	F28-F32 WeakPolarHBondContact O-CD2 3.37Å; L30-F32 PolarHBondContact O-N 2.96Å; F32-R34 PolarHBondContact O-N 2.81Å
33	P	80.9	Confident	78.3	Confident	65 Å²	65	110.3 Å²	110.3	42%	0.422	52%	0.523	S	S	.	.			trans	-62.2	133.2	177.8	27.3	-34.3	0	0	0	109.7	E37 A38 I41	P33-E37 HydrophobicContact CB-CB 4.38Å; P33-A38 HydrophobicContact CB-CB 4.06Å; P33-A38 HydrophobicContact CG-CB 4.34Å; P33-I41 HydrophobicContact CB-CD1 3.93Å; P33-I41 HydrophobicContact CG-CD1 4.07Å
34	R	76.4	Confident	77.3	Confident	151 Å²	151	106 Å²	106	57%	0.57	52%	0.515	S	S	*	.			trans	-114.2	148.9	176.1	-69.4	-168	-174.7	-172.1	5.1	111.5	D29 F32 I36	D29-R34 IonicContact OD1-NH2 3.46Å; D29-R34 PolarHBondContact OD1-NH2 3.19Å; F32-R34 PolarHBondContact O-N 2.81Å; R34-I36 PolarHBondContact O-N 2.8Å; R34-I36 VanDerWaalsContact O-N 3.14Å
35	G	74.5	Confident	76.3	Confident	63 Å²	63	107 Å²	107	65%	0.649	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-113.4	169.1	0	0	0	0	0	113.8	R39	G35-R39 PolarHBondContact O-N 2.99Å; G35-R39 VanDerWaalsContact O-N 3.13Å
36	I	72.1	Confident	75.1	Confident	144 Å²	144	106.4 Å²	106.4	74%	0.738	53%	0.526	S	S	*	.	H	α-helix	trans	-69.6	-43.2	-170.1	-54.2	172.5	0	0	0	111.2	R34 A38 R39 Q40	R34-I36 PolarHBondContact O-N 2.8Å; R34-I36 VanDerWaalsContact O-N 3.14Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 2.84Å; I36-R39 CarbonylContact O-C 3.56Å; I36-R39 WeakPolarHBondContact O-CA 3.17Å; I36-R39 WeakPolarHBondContact O-CB 3.29Å; I36-R39 PolarHBondContact O-N 3.34Å; I36-R39 VanDerWaalsContact O-N 3.1Å; I36-Q40 WeakPolarHBondContact O-CB 3.45Å; I36-Q40 PolarHBondContact O-N 2.8Å
37	E	71.4	Confident	73.8	Confident	127 Å²	127	112.9 Å²	112.9	59%	0.593	55%	0.552	S	S	*	*	H	α-helix	trans	-62.8	-44	179.8	-66.3	177	-175.2	0	0	110.9	P33 R39 Q40 I41	P33-E37 HydrophobicContact CB-CB 4.38Å; E37-R39 VanDerWaalsContact C-N 3.25Å; E37-R39 PolarHBondContact O-N 3.17Å; E37-Q40 PolarHBondContact O-N 3.28Å; E37-I41 WeakPolarHBondContact O-CD1 3.3Å; E37-I41 WeakPolarHBondContact O-CG1 3.13Å; E37-I41 PolarHBondContact O-N 2.96Å
38	A	69.7	Low	72.4	Confident	24 Å²	24	108.1 Å²	108.1	20%	0.198	53%	0.532	C	S	.	.	H	α-helix	trans	-61.1	-36.3	175.3	0	0	0	0	0	112.1	P33 I36 K42	P33-A38 HydrophobicContact CB-CB 4.06Å; P33-A38 HydrophobicContact CG-CB 4.34Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 2.84Å; A38-K42 WeakPolarHBondContact O-CG 3.29Å; A38-K42 PolarHBondContact O-N 2.91Å
39	R	68	Low	71.1	Confident	168 Å²	168	103.5 Å²	103.5	63%	0.634	52%	0.521	S	S	*	.	H	α-helix	trans	-70	-43.8	174.8	-177.4	176.2	174.4	170.6	-0.3	111.3	G35 I36 E37 I41 K42 E43	G35-R39 PolarHBondContact O-N 2.99Å; G35-R39 VanDerWaalsContact O-N 3.13Å; I36-R39 CarbonylContact O-C 3.56Å; I36-R39 WeakPolarHBondContact O-CA 3.17Å; I36-R39 WeakPolarHBondContact O-CB 3.29Å; I36-R39 PolarHBondContact O-N 3.34Å; I36-R39 VanDerWaalsContact O-N 3.1Å; E37-R39 VanDerWaalsContact C-N 3.25Å; E37-R39 PolarHBondContact O-N 3.17Å; R39-I41 PolarHBondContact O-N 2.69Å; R39-K42 CarbonylContact O-C 3.6Å; R39-K42 WeakPolarHBondContact O-CB 3.44Å; R39-K42 PolarHBondContact O-N 2.77Å; R39-K42 VanDerWaalsContact O-N 3.1Å; R39-E43 HydrophobicContact CG-CG 4.44Å; R39-E43 WeakPolarHBondContact CG-OE1 3.38Å; R39-E43 IonicContact CZ-OE1 2.69Å; R39-E43 IonicContact NE-OE1 2.85Å; R39-E43 PolarHBondContact NE-OE1 2.82Å; R39-E43 IonicContact NH2-OE1 3.55Å; R39-E43 PolarHBondContact NH2-OE1 2.91Å; R39-E43 WeakPolarHBondContact O-CG 3.5Å; R39-E43 PolarHBondContact O-N 3.07Å
40	Q	70.9	Confident	70.2	Confident	117 Å²	117	109.6 Å²	109.6	55%	0.547	55%	0.554	S	S	.	*	H	α-helix	trans	-62.3	-42.4	179.5	-167	175.9	16.2	0	0	111.3	I36 E37 K42 E43 T44	I36-Q40 WeakPolarHBondContact O-CB 3.45Å; I36-Q40 PolarHBondContact O-N 2.8Å; E37-Q40 PolarHBondContact O-N 3.28Å; Q40-K42 VanDerWaalsContact C-N 3.27Å; Q40-K42 PolarHBondContact O-N 3.13Å; Q40-E43 PolarHBondContact O-N 3Å; Q40-E43 VanDerWaalsContact O-N 3.14Å; Q40-T44 HydrophobicContact CG-CG2 4.42Å; Q40-T44 WeakPolarHBondContact O-CG2 3.45Å; Q40-T44 PolarHBondContact O-N 3.04Å; Q40-T44 PolarHBondContact O-OG1 3.19Å; Q40-T44 VanDerWaalsContact O-OG1 3.1Å
41	I	70.1	Confident	69.7	Low	99 Å²	99	108.7 Å²	108.7	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-59.5	-38.6	174.6	-64.8	161	0	0	0	111.2	P33 E37 R39 T44 S45	P33-I41 HydrophobicContact CB-CD1 3.93Å; P33-I41 HydrophobicContact CG-CD1 4.07Å; E37-I41 WeakPolarHBondContact O-CD1 3.3Å; E37-I41 WeakPolarHBondContact O-CG1 3.13Å; E37-I41 PolarHBondContact O-N 2.96Å; R39-I41 PolarHBondContact O-N 2.69Å; I41-T44 PolarHBondContact O-OG1 2.81Å; I41-S45 PolarHBondContact O-N 2.84Å
42	K	69.6	Low	69.6	Low	137 Å²	137	108.6 Å²	108.6	60%	0.596	54%	0.54	S	S	*	.	H	α-helix	trans	-74.8	-24.1	177.4	-72.3	176.5	-178.1	-177.2	0	113.8	A38 R39 Q40 S45 R46	A38-K42 WeakPolarHBondContact O-CG 3.29Å; A38-K42 PolarHBondContact O-N 2.91Å; R39-K42 CarbonylContact O-C 3.6Å; R39-K42 WeakPolarHBondContact O-CB 3.44Å; R39-K42 PolarHBondContact O-N 2.77Å; R39-K42 VanDerWaalsContact O-N 3.1Å; Q40-K42 VanDerWaalsContact C-N 3.27Å; Q40-K42 PolarHBondContact O-N 3.13Å; K42-S45 PolarHBondContact O-OG 2.93Å; K42-S45 VanDerWaalsContact O-OG 3.07Å; K42-R46 WeakPolarHBondContact O-CG 3.2Å; K42-R46 PolarHBondContact O-NE 3.19Å; K42-R46 VanDerWaalsContact O-NE 3.12Å
43	E	69.5	Low	69.9	Low	79 Å²	79	102.9 Å²	102.9	37%	0.369	51%	0.514	S	S	.	.	H	α-helix	trans	-86.2	-41.1	178.8	-74.3	174.9	-176.5	0	0	111	R39 Q40 S45 R46 K47	R39-E43 HydrophobicContact CG-CG 4.44Å; R39-E43 WeakPolarHBondContact CG-OE1 3.38Å; R39-E43 IonicContact CZ-OE1 2.69Å; R39-E43 IonicContact NE-OE1 2.85Å; R39-E43 PolarHBondContact NE-OE1 2.82Å; R39-E43 IonicContact NH2-OE1 3.55Å; R39-E43 PolarHBondContact NH2-OE1 2.91Å; R39-E43 WeakPolarHBondContact O-CG 3.5Å; R39-E43 PolarHBondContact O-N 3.07Å; Q40-E43 PolarHBondContact O-N 3Å; Q40-E43 VanDerWaalsContact O-N 3.14Å; E43-S45 VanDerWaalsContact C-N 3.29Å; E43-S45 PolarHBondContact O-N 2.7Å; E43-R46 PolarHBondContact O-N 3.11Å; E43-R46 VanDerWaalsContact O-N 3.1Å; E43-K47 PolarHBondContact O-N 3.27Å
44	T	65.2	Low	70.3	Confident	78 Å²	78	107.2 Å²	107.2	48%	0.479	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-34.4	176.8	53.9	0	0	0	0	112.3	Q40 I41 R46 K47	Q40-T44 HydrophobicContact CG-CG2 4.42Å; Q40-T44 WeakPolarHBondContact O-CG2 3.45Å; Q40-T44 PolarHBondContact O-N 3.04Å; Q40-T44 PolarHBondContact O-OG1 3.19Å; Q40-T44 VanDerWaalsContact O-OG1 3.1Å; I41-T44 PolarHBondContact O-OG1 2.81Å; T44-R46 VanDerWaalsContact C-N 3.25Å; T44-R46 PolarHBondContact O-N 3.23Å; T44-K47 PolarHBondContact O-N 2.79Å
45	S	63.7	Low	71.2	Confident	81 Å²	81	105.4 Å²	105.4	57%	0.566	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-63.9	-29.3	174.4	67	0	0	0	0	113.2	I41 K42 E43	I41-S45 PolarHBondContact O-N 2.84Å; K42-S45 PolarHBondContact O-OG 2.93Å; K42-S45 VanDerWaalsContact O-OG 3.07Å; E43-S45 VanDerWaalsContact C-N 3.29Å; E43-S45 PolarHBondContact O-N 2.7Å
46	R	60.1	Low	72	Confident	182 Å²	182	104.7 Å²	104.7	69%	0.687	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-81.3	-19.2	178	-64.1	-178.1	-138	179.6	-0.2	113.9	K42 E43 T44 C48	K42-R46 WeakPolarHBondContact O-CG 3.2Å; K42-R46 PolarHBondContact O-NE 3.19Å; K42-R46 VanDerWaalsContact O-NE 3.12Å; E43-R46 PolarHBondContact O-N 3.11Å; E43-R46 VanDerWaalsContact O-N 3.1Å; T44-R46 VanDerWaalsContact C-N 3.25Å; T44-R46 PolarHBondContact O-N 3.23Å; R46-C48 PolarHBondContact O-N 2.85Å
47	K	58.4	Low	73	Confident	165 Å²	165	100.8 Å²	100.8	72%	0.717	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-65.4	1.6	177.3	-64.7	-170.3	-178.3	-171.7	0	113.5	E43 T44 G49	E43-K47 PolarHBondContact O-N 3.27Å; T44-K47 PolarHBondContact O-N 2.79Å; K47-G49 PolarHBondContact O-N 3.36Å
48	C	55.7	Low	74.1	Confident	47 Å²	47	100.2 Å²	100.2	32%	0.318	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	34.9	161.9	-163	0	0	0	0	112.4	R46 H52	R46-C48 PolarHBondContact O-N 2.85Å; C48-H52 PolarHBondContact O-CE1 3.4Å
49	G	58.2	Low	75.2	Confident	34 Å²	34	99.1 Å²	99.1	35%	0.351	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-35.1	-174.7	0	0	0	0	0	113.7	K47 R51 H52	K47-G49 PolarHBondContact O-N 3.36Å; G49-R51 PolarHBondContact O-N 2.85Å; G49-H52 PolarHBondContact O-CE1 2.93Å; G49-H52 PolarHBondContact O-ND1 3.01Å
50	D	65.9	Low	76.5	Confident	151 Å²	151	95.6 Å²	95.6	81%	0.807	47%	0.474	S	S	*	.	S	Bend	trans	-88.5	-6.9	-163.8	-60.2	-12.8	0	0	0	113.5
51	R	73.9	Confident	77.6	Confident	108 Å²	108	90 Å²	90	41%	0.408	45%	0.448	S	S	.	.			trans	-123.7	49.2	-172.7	-58.7	-169.6	-172.8	-158.1	8.8	113.3	G49 F53 T98	G49-R51 PolarHBondContact O-N 2.85Å; R51-F53 HydrophobicContact CB-CE2 4.33Å; R51-T98 HydrophobicContact CB-CG2 3.57Å; R51-T98 WeakPolarHBondContact O-CG2 3.02Å
52	H	83.5	Confident	78.7	Confident	123 Å²	123	90.5 Å²	90.5	57%	0.569	44%	0.443	S	S	*	.			trans	-78.4	133.3	166.6	-63.1	91	0	0	0	110.1	C48 G49 R103	C48-H52 PolarHBondContact O-CE1 3.4Å; G49-H52 PolarHBondContact O-CE1 2.93Å; G49-H52 PolarHBondContact O-ND1 3.01Å; H52-R103 PolarHBondContact O-NH2 3.02Å
53	F	89.3	Confident	79.9	Confident	17 Å²	17	84.1 Å²	84.1	8%	0.075	42%	0.415	C	S	.	.			trans	-121.3	156.7	171.2	-62.2	-81.7	0	0	0	109	R51 V59 I76 W85 T98 L101 R103	R51-F53 HydrophobicContact CB-CE2 4.33Å; F53-V59 HydrophobicContact CD1-CG1 3.55Å; F53-V59 HydrophobicContact CE1-CG1 3.66Å; F53-I76 HydrophobicContact CB-CD1 3.44Å; F53-I76 VanDerWaalsContact CB-CD1 3.44Å; F53-I76 HydrophobicContact CD1-CD1 4.17Å; F53-I76 HydrophobicContact CG-CD1 3.93Å; F53-W85 HydrophobicContact CB-CH2 3.87Å; F53-W85 HydrophobicContact CB-CZ2 3.93Å; F53-W85 HydrophobicContact CB-CZ3 4.17Å; F53-W85 HydrophobicContact CD2-CZ2 4.3Å; F53-W85 WeakPolarHBondContact O-CH2 3.23Å; F53-T98 HydrophobicContact CD2-CG2 4.12Å; F53-T98 HydrophobicContact CE2-CG2 3.82Å; F53-L101 HydrophobicContact CD2-CB 4.36Å; F53-L101 HydrophobicContact CD2-CD1 4.02Å; F53-L101 HydrophobicContact CE1-CB 4.19Å; F53-L101 HydrophobicContact CE2-CB 3.6Å; F53-L101 HydrophobicContact CE2-CD1 4.08Å; F53-L101 HydrophobicContact CE2-CG 4.48Å; F53-L101 HydrophobicContact CG-CD1 4.48Å; F53-L101 HydrophobicContact CZ-CB 3.5Å; F53-L101 VanDerWaalsContact CZ-CB 3.5Å; F53-R103 HydrophobicContact CD1-CG 4.29Å; F53-R103 HydrophobicContact CE1-CG 3.68Å
54	K	91.1	Very high	80.8	Confident	157 Å²	157	86.3 Å²	86.3	68%	0.683	42%	0.421	S	S	*	.			trans	-112	154.7	173.1	-62	179.3	-179.3	178.1	0	109.9	G56 D57	K54-G56 PolarHBondContact O-N 3.09Å; K54-D57 WeakPolarHBondContact CB-OD2 3.45Å; K54-D57 PolarHBondContact N-OD2 2.88Å; K54-D57 WeakPolarHBondContact O-CB 3.37Å; K54-D57 PolarHBondContact O-N 3.12Å
55	I	93.5	Very high	81.9	Confident	112 Å²	112	91 Å²	91	57%	0.574	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	132.8	172.6	-60.6	170.9	0	0	0	107.7	V77	I55-V77 WeakPolarHBondContact CG2-O 3.21Å
56	G	93	Very high	82.7	Confident	49 Å²	49	92.1 Å²	92.1	51%	0.505	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-12.4	-173.9	0	0	0	0	0	114.7	K54 I76	K54-G56 PolarHBondContact O-N 3.09Å; G56-I76 PolarHBondContact N-O 3.21Å
57	D	92.1	Very high	83.7	Confident	62 Å²	62	92.5 Å²	92.5	33%	0.332	45%	0.445	S	S	.	.			trans	-68.1	138.6	179.4	-70.2	-9.2	0	0	0	111.5	K54 V59 I76	K54-D57 WeakPolarHBondContact CB-OD2 3.45Å; K54-D57 PolarHBondContact N-OD2 2.88Å; K54-D57 WeakPolarHBondContact O-CB 3.37Å; K54-D57 PolarHBondContact O-N 3.12Å; D57-V59 HydrophobicContact CB-CG1 4.4Å; D57-I76 HydrophobicContact CB-CD1 4.4Å; D57-I76 PolarHBondContact O-N 3.46Å; D57-I76 VanDerWaalsContact O-N 3.11Å
58	K	94.2	Very high	84.9	Confident	114 Å²	114	95.6 Å²	95.6	50%	0.496	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.6	170.1	-166.5	-178.5	179.3	-170.9	0	109.4	E73 V104	K58-E73 WeakPolarHBondContact CE-OE2 3.43Å; K58-E73 IonicContact NZ-OE2 2.76Å; K58-E73 PolarHBondContact NZ-OE2 3.35Å; K58-V104 HydrophobicContact CD-CG2 4.49Å; K58-V104 HydrophobicContact CG-CG2 4.11Å
59	V	94.2	Very high	86.4	Confident	1 Å²	1	99 Å²	99	1%	0.006	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.3	-177.1	-65.7	0	0	0	0	111.5	F53 D57 V61 G74 I76 I87 L101 R102	F53-V59 HydrophobicContact CD1-CG1 3.55Å; F53-V59 HydrophobicContact CE1-CG1 3.66Å; D57-V59 HydrophobicContact CB-CG1 4.4Å; V59-V61 HydrophobicContact CG2-CG2 4.15Å; V59-G74 PolarHBondContact N-O 3.35Å; V59-G74 PolarHBondContact O-N 3.27Å; V59-G74 VanDerWaalsContact O-O 3.08Å; V59-I76 HydrophobicContact CG1-CD1 3.83Å; V59-I76 HydrophobicContact CG1-CG1 4.26Å; V59-I76 HydrophobicContact CG2-CD1 4.06Å; V59-I76 HydrophobicContact CG2-CG1 3.67Å; V59-I87 HydrophobicContact CG2-CG1 4.44Å; V59-I87 HydrophobicContact CG2-CG2 4.11Å; V59-L101 HydrophobicContact CB-CD2 4.4Å; V59-L101 HydrophobicContact CG2-CD2 3.81Å; V59-R102 CarbonylContact C-O 3.53Å; V59-R102 VanDerWaalsContact CA-O 3.29Å; V59-R102 WeakPolarHBondContact CA-O 3.39Å; V59-R102 WeakPolarHBondContact CB-O 3.33Å
60	R	94.8	Very high	88	Confident	94 Å²	94	98.9 Å²	98.9	36%	0.355	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.4	165.6	-81.3	168.3	-175.9	-175	4.6	109	W71 R72 E73 L101 R102 V104	R60-W71 HydrophobicContact CB-CB 4.47Å; R60-W71 HydrophobicContact CB-CE3 4.12Å; R60-R72 CarbonylContact C-O 3.6Å; R60-R72 WeakPolarHBondContact CA-O 3.37Å; R60-E73 HydrophobicContact CG-CG 4.17Å; R60-E73 IonicContact CZ-OE1 3.95Å; R60-E73 IonicContact NE-OE1 2.77Å; R60-E73 PolarHBondContact NE-OE1 2.96Å; R60-E73 IonicContact NH2-OE1 3.48Å; R60-E73 PolarHBondContact NH2-OE1 2.93Å; R60-L101 CarbonylContact O-C 3.55Å; R60-L101 WeakPolarHBondContact O-CA 3.46Å; R60-R102 HydrophobicContact CB-CB 4.21Å; R60-R102 PolarHBondContact N-O 3.44Å; R60-R102 PolarHBondContact O-N 3.26Å; R60-V104 HydrophobicContact CG-CG2 4.03Å
61	V	94.5	Very high	89.2	Confident	0 Å²	0	95.2 Å²	95.2	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.4	-177.7	-171.8	0	0	0	0	109.7	V59 D63 W71 R72 I87 V89 W94 R96 L101	V59-V61 HydrophobicContact CG2-CG2 4.15Å; V61-D63 PolarHBondContact O-N 3.1Å; V61-W71 WeakPolarHBondContact O-CA 3.42Å; V61-R72 PolarHBondContact N-O 2.9Å; V61-R72 PolarHBondContact O-N 3.07Å; V61-I87 HydrophobicContact CG1-CD1 4.26Å; V61-I87 HydrophobicContact CG2-CB 3.94Å; V61-I87 HydrophobicContact CG2-CD1 4.18Å; V61-I87 HydrophobicContact CG2-CG1 4.07Å; V61-I87 HydrophobicContact CG2-CG2 3.51Å; V61-V89 HydrophobicContact CG2-CG2 4.24Å; V61-W94 HydrophobicContact CG1-CE3 4.05Å; V61-R96 HydrophobicContact CG1-CB 4.33Å; V61-R96 HydrophobicContact CG1-CG 3.61Å; V61-L101 HydrophobicContact CB-CD2 4.19Å; V61-L101 HydrophobicContact CG1-CD2 4.17Å; V61-L101 HydrophobicContact CG2-CD2 3.67Å
62	R	93.3	Very high	90.1	Very high	110 Å²	110	93.9 Å²	93.9	42%	0.415	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	118.9	174.2	-160.6	168.8	-178.3	177.9	0.7	112.2	Y64 P70 W71 R96 Q100	R62-Y64 HydrophobicContact CG-CE1 4.1Å; R62-P70 CarbonylContact C-O 3.59Å; R62-P70 VanDerWaalsContact CA-O 3.23Å; R62-P70 WeakPolarHBondContact CA-O 3.5Å; R62-P70 HydrophobicContact CG-CB 4.4Å; R62-W71 HydrophobicContact CB-CE3 4.33Å; R62-W71 HydrophobicContact CB-CH2 4.24Å; R62-W71 HydrophobicContact CB-CZ3 4.04Å; R62-R96 PolarHBondContact O-NE 3.36Å; R62-Q100 HydrophobicContact CB-CB 4.26Å; R62-Q100 PolarHBondContact N-O 3.35Å
63	D	92.8	Very high	90.6	Very high	2 Å²	2	92 Å²	92	1%	0.011	42%	0.422	C	S	.	.			trans	-89.7	135.5	162.5	-170.1	1.2	0	0	0	109.5	V61 M65 P70 R72 W94	V61-D63 PolarHBondContact O-N 3.1Å; D63-M65 PolarHBondContact OD1-N 3.36Å; D63-P70 PolarHBondContact N-O 2.93Å; D63-P70 WeakPolarHBondContact O-CB 3.45Å; D63-R72 HydrophobicContact CB-CG 4.08Å; D63-R72 IonicContact OD2-CZ 3.48Å; D63-R72 IonicContact OD2-NE 2.88Å; D63-R72 PolarHBondContact OD2-NE 3.39Å; D63-R72 IonicContact OD2-NH2 3.12Å; D63-R72 PolarHBondContact OD2-NH2 3.14Å; D63-W94 HydrophobicContact CB-CH2 3.87Å; D63-W94 HydrophobicContact CB-CZ3 3.88Å
64	Y	89.2	Confident	90.9	Very high	126 Å²	126	91.5 Å²	91.5	49%	0.494	42%	0.422	S	S	.	.	S	Bend	trans	-106.9	-7.3	-178.9	-66.6	-73.8	0	0	0	112.5	R62 Q100	R62-Y64 HydrophobicContact CG-CE1 4.1Å; Y64-Q100 WeakPolarHBondContact OH-CG 3.39Å; Y64-Q100 PolarHBondContact OH-NE2 3.2Å
65	M	87.4	Confident	91.1	Very high	175 Å²	175	88.5 Å²	88.5	86%	0.862	41%	0.413	S	S	*	.	S	Bend	trans	-79	-28	-179.7	-64	-173.2	74.1	0	0	112.6	D63	D63-M65 PolarHBondContact OD1-N 3.36Å
66	Q	81.3	Confident	91.2	Very high	105 Å²	105	83.3 Å²	83.3	49%	0.491	39%	0.386	S	S	.	.			trans	-119.7	127.3	-174.1	-166.4	159.9	15.9	0	0	111.3
67	E	82	Confident	91.4	Very high	190 Å²	190	84.9 Å²	84.9	89%	0.888	39%	0.385	S	S	*	.	S	Bend	trans	-82	-37.1	-173.3	-168.1	145.7	-147.4	0	0	113.2
68	R	83.8	Confident	91.5	Very high	230 Å²	230	82.6 Å²	82.6	87%	0.868	38%	0.376	S	S	*	.	S	Bend	trans	-65.8	-50	-177.2	-74	-174.5	-178.3	-179.9	0.3	112.7
69	N	86.7	Confident	91.5	Very high	118 Å²	118	81.5 Å²	81.5	63%	0.631	37%	0.373	S	S	*	.			trans	-128.1	80.2	-175.2	-68.3	9.7	0	0	0	110.4	W71	N69-W71 PolarHBondContact O-N 3.12Å; N69-W71 VanDerWaalsContact O-N 3.17Å
70	P	90.6	Very high	91.4	Very high	32 Å²	32	88.5 Å²	88.5	21%	0.208	40%	0.4	C	S	.	.			trans	-77.5	3.7	-174.1	32.4	-37.2	0	0	0	113	R62 D63	R62-P70 CarbonylContact C-O 3.59Å; R62-P70 VanDerWaalsContact CA-O 3.23Å; R62-P70 WeakPolarHBondContact CA-O 3.5Å; R62-P70 HydrophobicContact CG-CB 4.4Å; D63-P70 PolarHBondContact N-O 2.93Å; D63-P70 WeakPolarHBondContact O-CB 3.45Å
71	W	92.9	Very high	91.1	Very high	75 Å²	75	87.1 Å²	87.1	28%	0.284	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.9	-178.5	-64.2	99.3	0	0	0	110.3	R60 V61 R62 N69 Q100 R102	R60-W71 HydrophobicContact CB-CB 4.47Å; R60-W71 HydrophobicContact CB-CE3 4.12Å; V61-W71 WeakPolarHBondContact O-CA 3.42Å; R62-W71 HydrophobicContact CB-CE3 4.33Å; R62-W71 HydrophobicContact CB-CH2 4.24Å; R62-W71 HydrophobicContact CB-CZ3 4.04Å; N69-W71 PolarHBondContact O-N 3.12Å; N69-W71 VanDerWaalsContact O-N 3.17Å; W71-Q100 WeakPolarHBondContact CZ3-O 3.09Å; W71-R102 HydrophobicContact CE3-CG 4.31Å; W71-R102 HydrophobicContact CH2-CG 3.71Å; W71-R102 VanDerWaalsContact CH2-NE 3.31Å; W71-R102 HydrophobicContact CZ2-CG 4.38Å; W71-R102 HydrophobicContact CZ3-CB 4.25Å; W71-R102 HydrophobicContact CZ3-CG 3.66Å
72	R	92.8	Very high	90.7	Very high	79 Å²	79	95 Å²	95	30%	0.298	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.5	174.8	-68.8	-165.9	-174.3	-150.9	1.4	111	R60 V61 D63 V89	R60-R72 CarbonylContact C-O 3.6Å; R60-R72 WeakPolarHBondContact CA-O 3.37Å; V61-R72 PolarHBondContact N-O 2.9Å; V61-R72 PolarHBondContact O-N 3.07Å; D63-R72 HydrophobicContact CB-CG 4.08Å; D63-R72 IonicContact OD2-CZ 3.48Å; D63-R72 IonicContact OD2-NE 2.88Å; D63-R72 PolarHBondContact OD2-NE 3.39Å; D63-R72 IonicContact OD2-NH2 3.12Å; D63-R72 PolarHBondContact OD2-NH2 3.14Å; R72-V89 HydrophobicContact CB-CG1 4Å
73	E	94	Very high	90.5	Very high	84 Å²	84	91.8 Å²	91.8	39%	0.393	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.4	175.7	-53.1	-162.2	155	0	0	111.1	K58 R60	K58-E73 WeakPolarHBondContact CE-OE2 3.43Å; K58-E73 IonicContact NZ-OE2 2.76Å; K58-E73 PolarHBondContact NZ-OE2 3.35Å; R60-E73 HydrophobicContact CG-CG 4.17Å; R60-E73 IonicContact CZ-OE1 3.95Å; R60-E73 IonicContact NE-OE1 2.77Å; R60-E73 PolarHBondContact NE-OE1 2.96Å; R60-E73 IonicContact NH2-OE1 3.48Å; R60-E73 PolarHBondContact NH2-OE1 2.93Å
74	G	95	Very high	90.6	Very high	7 Å²	7	94.5 Å²	94.5	7%	0.072	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	171.5	177.6	0	0	0	0	0	112.4	V59 R88	V59-G74 PolarHBondContact N-O 3.35Å; V59-G74 PolarHBondContact O-N 3.27Å; V59-G74 VanDerWaalsContact O-O 3.08Å; G74-R88 CarbonylContact C-O 3.54Å; G74-R88 WeakPolarHBondContact CA-O 3.49Å
75	I	95.9	Very high	90.9	Very high	94 Å²	94	88.8 Å²	88.8	48%	0.482	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.9	-178.9	-60	170.4	0	0	0	108.9	V77 I87 R88	I75-V77 PolarHBondContact O-N 3.4Å; I75-I87 CarbonylContact O-C 3.52Å; I75-I87 WeakPolarHBondContact O-CA 3.43Å; I75-I87 WeakPolarHBondContact O-CG2 3.05Å; I75-R88 PolarHBondContact N-O 3.33Å; I75-R88 PolarHBondContact O-N 3.36Å
76	I	95.7	Very high	91.4	Very high	2 Å²	2	83.9 Å²	83.9	1%	0.01	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122	178.3	-62	177.6	0	0	0	109.5	F53 G56 D57 V59 W85 I87 L101	F53-I76 HydrophobicContact CB-CD1 3.44Å; F53-I76 VanDerWaalsContact CB-CD1 3.44Å; F53-I76 HydrophobicContact CD1-CD1 4.17Å; F53-I76 HydrophobicContact CG-CD1 3.93Å; G56-I76 PolarHBondContact N-O 3.21Å; D57-I76 HydrophobicContact CB-CD1 4.4Å; D57-I76 PolarHBondContact O-N 3.46Å; D57-I76 VanDerWaalsContact O-N 3.11Å; V59-I76 HydrophobicContact CG1-CD1 3.83Å; V59-I76 HydrophobicContact CG1-CG1 4.26Å; V59-I76 HydrophobicContact CG2-CD1 4.06Å; V59-I76 HydrophobicContact CG2-CG1 3.67Å; I76-W85 HydrophobicContact CD1-CE3 4.17Å; I76-W85 HydrophobicContact CG2-CE3 3.54Å; I76-W85 HydrophobicContact CG2-CZ3 4.02Å; I76-I87 HydrophobicContact CG1-CG1 4.16Å; I76-L101 HydrophobicContact CD1-CD1 4.28Å
77	V	96	Very high	92.1	Very high	82 Å²	82	78.9 Å²	78.9	50%	0.497	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-31.5	178.3	-178.8	0	0	0	0	111.3	I55 I75 F86 R88	I55-V77 WeakPolarHBondContact CG2-O 3.21Å; I75-V77 PolarHBondContact O-N 3.4Å; V77-F86 PolarHBondContact N-O 3.18Å; V77-R88 HydrophobicContact CG2-CB 3.56Å
78	G	94.9	Very high	92.8	Very high	14 Å²	14	77 Å²	77	14%	0.144	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	165.3	-178.8	0	0	0	0	0	113.7	F86	G78-F86 PolarHBondContact N-O 3.1Å; G78-F86 PolarHBondContact O-N 3.48Å
79	Q	93.7	Very high	93.3	Very high	92 Å²	92	66.3 Å²	66.3	43%	0.43	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142	177.5	-165.3	-176.5	3.5	0	0	109.9	G81 Q82 W85	Q79-G81 VanDerWaalsContact CG-O 3.29Å; Q79-G81 WeakPolarHBondContact CG-O 3.4Å; Q79-G81 PolarHBondContact NE2-O 3.1Å; Q79-Q82 PolarHBondContact NE2-O 3.45Å; Q79-W85 HydrophobicContact CB-CD2 4.43Å; Q79-W85 HydrophobicContact CB-CE3 3.74Å; Q79-W85 HydrophobicContact CB-CH2 4.13Å; Q79-W85 HydrophobicContact CB-CZ3 3.59Å; Q79-W85 HydrophobicContact CG-CD2 3.99Å; Q79-W85 HydrophobicContact CG-CE3 3.73Å; Q79-W85 HydrophobicContact CG-CH2 3.66Å; Q79-W85 HydrophobicContact CG-CZ2 3.92Å; Q79-W85 HydrophobicContact CG-CZ3 3.59Å
80	R	93	Very high	93.4	Very high	148 Å²	148	69 Å²	69	56%	0.558	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	110.3	172.5	-178.2	173.3	178.6	177.9	-0.2	109.6	M84 F86	R80-M84 HydrophobicContact CB-CB 4.15Å; R80-M84 PolarHBondContact N-O 3.46Å; R80-M84 VanDerWaalsContact O-CB 3.29Å; R80-M84 WeakPolarHBondContact O-CB 3.35Å; R80-M84 PolarHBondContact O-N 2.77Å; R80-F86 HydrophobicContact CB-CE2 3.79Å; R80-F86 HydrophobicContact CB-CZ 4.38Å
81	G	88.5	Confident	93.5	Very high	64 Å²	64	76.3 Å²	76.3	66%	0.66	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-157.2	-172.4	0	0	0	0	0	111	Q79	Q79-G81 VanDerWaalsContact CG-O 3.29Å; Q79-G81 WeakPolarHBondContact CG-O 3.4Å; Q79-G81 PolarHBondContact NE2-O 3.1Å
82	Q	85.5	Confident	93.5	Very high	167 Å²	167	78.4 Å²	78.4	78%	0.78	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-32.9	-175	-69.2	174.3	-19.9	0	0	113.2	Q79	Q79-Q82 PolarHBondContact NE2-O 3.45Å
83	V	89.6	Confident	93.6	Very high	42 Å²	42	78.8 Å²	78.8	26%	0.255	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-6.9	-162.6	-146.4	0	0	0	0	114.6	H97 T98	V83-H97 WeakPolarHBondContact CG1-CE1 3.43Å; V83-H97 WeakPolarHBondContact CG1-NE2 3.46Å; V83-H97 CarbonylContact O-C 3.47Å; V83-H97 WeakPolarHBondContact O-CA 3.41Å; V83-T98 VanDerWaalsContact CA-OG1 3.3Å; V83-T98 WeakPolarHBondContact CA-OG1 3.11Å; V83-T98 WeakPolarHBondContact CG1-OG1 3.43Å; V83-T98 PolarHBondContact O-N 3.39Å; V83-T98 PolarHBondContact O-OG1 3.32Å
84	M	94.5	Very high	93.7	Very high	58 Å²	58	76.3 Å²	76.3	29%	0.286	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141.8	178.8	-58.4	-64.9	-70.5	0	0	111.3	R80 K95 R96 H97	R80-M84 HydrophobicContact CB-CB 4.15Å; R80-M84 PolarHBondContact N-O 3.46Å; R80-M84 VanDerWaalsContact O-CB 3.29Å; R80-M84 WeakPolarHBondContact O-CB 3.35Å; R80-M84 PolarHBondContact O-N 2.77Å; M84-K95 HydrophobicContact CE-CD 4.17Å; M84-K95 VanDerWaalsContact CE-CE 3.48Å; M84-K95 HydrophobicContact CE-CG 3.84Å; M84-R96 WeakPolarHBondContact CA-O 3.4Å; M84-H97 HydrophobicContact SD-CB 4.05Å
85	W	95.5	Very high	93.7	Very high	6 Å²	6	80.4 Å²	80.4	2%	0.023	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.9	-175.3	-60	89.7	0	0	0	110.7	F53 I76 Q79 I87 K95 R96 T98 L101	F53-W85 HydrophobicContact CB-CH2 3.87Å; F53-W85 HydrophobicContact CB-CZ2 3.93Å; F53-W85 HydrophobicContact CB-CZ3 4.17Å; F53-W85 HydrophobicContact CD2-CZ2 4.3Å; F53-W85 WeakPolarHBondContact O-CH2 3.23Å; I76-W85 HydrophobicContact CD1-CE3 4.17Å; I76-W85 HydrophobicContact CG2-CE3 3.54Å; I76-W85 HydrophobicContact CG2-CZ3 4.02Å; Q79-W85 HydrophobicContact CB-CD2 4.43Å; Q79-W85 HydrophobicContact CB-CE3 3.74Å; Q79-W85 HydrophobicContact CB-CH2 4.13Å; Q79-W85 HydrophobicContact CB-CZ3 3.59Å; Q79-W85 HydrophobicContact CG-CD2 3.99Å; Q79-W85 HydrophobicContact CG-CE3 3.73Å; Q79-W85 HydrophobicContact CG-CH2 3.66Å; Q79-W85 HydrophobicContact CG-CZ2 3.92Å; Q79-W85 HydrophobicContact CG-CZ3 3.59Å; W85-I87 HydrophobicContact CB-CD1 4.02Å; W85-I87 HydrophobicContact CB-CG1 4.37Å; W85-K95 WeakPolarHBondContact O-CA 3.37Å; W85-R96 PolarHBondContact N-O 3.1Å; W85-R96 PolarHBondContact O-N 3.13Å; W85-T98 PolarHBondContact NE1-OG1 3.18Å; W85-L101 HydrophobicContact CB-CD1 3.85Å; W85-L101 HydrophobicContact CD2-CD1 4.29Å; W85-L101 HydrophobicContact CG-CD1 3.62Å
86	F	97	Very high	93.6	Very high	73 Å²	73	78.5 Å²	78.5	32%	0.32	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.7	168.2	-64.5	-74.4	0	0	0	108.3	V77 G78 R80 T93 W94 K95	V77-F86 PolarHBondContact N-O 3.18Å; G78-F86 PolarHBondContact N-O 3.1Å; G78-F86 PolarHBondContact O-N 3.48Å; R80-F86 HydrophobicContact CB-CE2 3.79Å; R80-F86 HydrophobicContact CB-CZ 4.38Å; F86-T93 HydrophobicContact CB-CG2 4.21Å; F86-W94 CarbonylContact C-O 3.43Å; F86-W94 WeakPolarHBondContact CA-O 3.4Å; F86-K95 HydrophobicContact CD1-CB 4.21Å; F86-K95 HydrophobicContact CD1-CG 4.45Å; F86-K95 HydrophobicContact CE1-CB 4.15Å; F86-K95 HydrophobicContact CE1-CD 4.25Å; F86-K95 HydrophobicContact CE1-CG 4.13Å
87	I	96.5	Very high	93.6	Very high	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.6	-177.5	-49.6	104.5	0	0	0	109.3	V59 V61 I75 I76 W85 V89 T93 W94 R96 L101	V59-I87 HydrophobicContact CG2-CG1 4.44Å; V59-I87 HydrophobicContact CG2-CG2 4.11Å; V61-I87 HydrophobicContact CG1-CD1 4.26Å; V61-I87 HydrophobicContact CG2-CB 3.94Å; V61-I87 HydrophobicContact CG2-CD1 4.18Å; V61-I87 HydrophobicContact CG2-CG1 4.07Å; V61-I87 HydrophobicContact CG2-CG2 3.51Å; I75-I87 CarbonylContact O-C 3.52Å; I75-I87 WeakPolarHBondContact O-CA 3.43Å; I75-I87 WeakPolarHBondContact O-CG2 3.05Å; I76-I87 HydrophobicContact CG1-CG1 4.16Å; W85-I87 HydrophobicContact CB-CD1 4.02Å; W85-I87 HydrophobicContact CB-CG1 4.37Å; I87-V89 HydrophobicContact CG2-CG2 4.38Å; I87-T93 CarbonylContact O-C 3.52Å; I87-T93 WeakPolarHBondContact O-CA 3.13Å; I87-W94 PolarHBondContact N-O 3.14Å; I87-W94 PolarHBondContact O-N 2.78Å; I87-R96 HydrophobicContact CD1-CB 3.73Å; I87-R96 HydrophobicContact CD1-CG 4.12Å; I87-L101 HydrophobicContact CD1-CD1 4.26Å; I87-L101 HydrophobicContact CD1-CD2 3.59Å; I87-L101 HydrophobicContact CD1-CG 4.35Å; I87-L101 HydrophobicContact CG1-CD1 4.48Å; I87-L101 HydrophobicContact CG1-CD2 3.91Å
88	R	96.3	Very high	93.3	Very high	151 Å²	151	77.4 Å²	77.4	57%	0.57	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	118.5	172.6	-176.8	173	174.7	-179.3	-0.6	109.4	G74 I75 V77 M92	G74-R88 CarbonylContact C-O 3.54Å; G74-R88 WeakPolarHBondContact CA-O 3.49Å; I75-R88 PolarHBondContact N-O 3.33Å; I75-R88 PolarHBondContact O-N 3.36Å; V77-R88 HydrophobicContact CG2-CB 3.56Å; R88-M92 WeakPolarHBondContact CA-O 3.49Å
89	V	94	Very high	93.1	Very high	5 Å²	5	83.4 Å²	83.4	3%	0.03	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	110.4	176.3	177.7	0	0	0	0	107.2	V61 R72 I87 E91 M92 W94	V61-V89 HydrophobicContact CG2-CG2 4.24Å; R72-V89 HydrophobicContact CB-CG1 4Å; I87-V89 HydrophobicContact CG2-CG2 4.38Å; V89-E91 PolarHBondContact O-N 3.44Å; V89-M92 PolarHBondContact N-O 3.18Å; V89-M92 PolarHBondContact O-N 2.92Å; V89-W94 HydrophobicContact CG2-CD2 4.31Å; V89-W94 HydrophobicContact CG2-CE3 4.19Å
90	K	90.7	Very high	93.1	Very high	174 Å²	174	81.2 Å²	81.2	76%	0.757	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-110	-171.9	-56.6	-178.2	177	-172.6	0	110.7
91	E	91	Very high	93.1	Very high	185 Å²	185	74.2 Å²	74.2	86%	0.864	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-7.3	-178.6	-64.5	176.7	177.4	0	0	113.4	V89	V89-E91 PolarHBondContact O-N 3.44Å
92	M	94.1	Very high	93.3	Very high	119 Å²	119	77.6 Å²	77.6	59%	0.586	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.2	-174.7	-67.2	159.5	73.5	0	0	111.3	R88 V89	R88-M92 WeakPolarHBondContact CA-O 3.49Å; V89-M92 PolarHBondContact N-O 3.18Å; V89-M92 PolarHBondContact O-N 2.92Å
93	T	95.1	Very high	93.5	Very high	88 Å²	88	77 Å²	77	54%	0.54	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.2	172.4	-58	0	0	0	0	110	F86 I87	F86-T93 HydrophobicContact CB-CG2 4.21Å; I87-T93 CarbonylContact O-C 3.52Å; I87-T93 WeakPolarHBondContact O-CA 3.13Å
94	W	94.6	Very high	93.3	Very high	31 Å²	31	77 Å²	77	12%	0.117	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140.1	-177.5	-67.5	1.7	0	0	0	111.1	V61 D63 F86 I87 V89 R96	V61-W94 HydrophobicContact CG1-CE3 4.05Å; D63-W94 HydrophobicContact CB-CH2 3.87Å; D63-W94 HydrophobicContact CB-CZ3 3.88Å; F86-W94 CarbonylContact C-O 3.43Å; F86-W94 WeakPolarHBondContact CA-O 3.4Å; I87-W94 PolarHBondContact N-O 3.14Å; I87-W94 PolarHBondContact O-N 2.78Å; V89-W94 HydrophobicContact CG2-CD2 4.31Å; V89-W94 HydrophobicContact CG2-CE3 4.19Å; W94-R96 HydrophobicContact CB-CG 4.42Å
95	K	95.5	Very high	92.5	Very high	93 Å²	93	78.4 Å²	78.4	40%	0.404	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.7	170.2	-176.2	-177.8	175.7	-168.2	0	109.6	M84 W85 F86	M84-K95 HydrophobicContact CE-CD 4.17Å; M84-K95 VanDerWaalsContact CE-CE 3.48Å; M84-K95 HydrophobicContact CE-CG 3.84Å; W85-K95 WeakPolarHBondContact O-CA 3.37Å; F86-K95 HydrophobicContact CD1-CB 4.21Å; F86-K95 HydrophobicContact CD1-CG 4.45Å; F86-K95 HydrophobicContact CE1-CB 4.15Å; F86-K95 HydrophobicContact CE1-CD 4.25Å; F86-K95 HydrophobicContact CE1-CG 4.13Å
96	R	94.9	Very high	91.1	Very high	54 Å²	54	82.6 Å²	82.6	20%	0.204	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156	-177	-65.3	-69.4	-178.1	-100.1	2.7	112.6	V61 R62 M84 W85 I87 W94 Q100	V61-R96 HydrophobicContact CG1-CB 4.33Å; V61-R96 HydrophobicContact CG1-CG 3.61Å; R62-R96 PolarHBondContact O-NE 3.36Å; M84-R96 WeakPolarHBondContact CA-O 3.4Å; W85-R96 PolarHBondContact N-O 3.1Å; W85-R96 PolarHBondContact O-N 3.13Å; I87-R96 HydrophobicContact CD1-CB 3.73Å; I87-R96 HydrophobicContact CD1-CG 4.12Å; W94-R96 HydrophobicContact CB-CG 4.42Å; R96-Q100 HydrophobicContact CB-CB 4.28Å
97	H	94	Very high	89.3	Confident	58 Å²	58	86.2 Å²	86.2	27%	0.269	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	154.3	175.7	-171.4	-96.5	0	0	0	111	V83 M84 Y99 Q100	V83-H97 WeakPolarHBondContact CG1-CE1 3.43Å; V83-H97 WeakPolarHBondContact CG1-NE2 3.46Å; V83-H97 CarbonylContact O-C 3.47Å; V83-H97 WeakPolarHBondContact O-CA 3.41Å; M84-H97 HydrophobicContact SD-CB 4.05Å; H97-Y99 VanDerWaalsContact C-N 3.26Å; H97-Y99 AromaticContact CE1-CD2 3.37Å; H97-Y99 WeakPolarHBondContact CE1-CD2 2.83Å; H97-Y99 AromaticContact ND1-CD2 3.62Å; H97-Y99 AromaticContact ND1-CG 3.98Å; H97-Y99 PolarHBondContact ND1-N 2.77Å; H97-Y99 PolarHBondContact O-N 2.85Å; H97-Q100 HydrophobicContact CB-CG 4.24Å; H97-Q100 WeakPolarHBondContact O-CA 3.27Å; H97-Q100 VanDerWaalsContact O-CB 3.29Å; H97-Q100 WeakPolarHBondContact O-CB 3.38Å; H97-Q100 PolarHBondContact O-N 2.85Å
98	T	90.8	Very high	87.4	Confident	3 Å²	3	93.1 Å²	93.1	2%	0.018	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-53.7	-39.8	-179.3	-57.9	0	0	0	0	112.8	R51 F53 V83 W85 Q100 L101	R51-T98 HydrophobicContact CB-CG2 3.57Å; R51-T98 WeakPolarHBondContact O-CG2 3.02Å; F53-T98 HydrophobicContact CD2-CG2 4.12Å; F53-T98 HydrophobicContact CE2-CG2 3.82Å; V83-T98 VanDerWaalsContact CA-OG1 3.3Å; V83-T98 WeakPolarHBondContact CA-OG1 3.11Å; V83-T98 WeakPolarHBondContact CG1-OG1 3.43Å; V83-T98 PolarHBondContact O-N 3.39Å; V83-T98 PolarHBondContact O-OG1 3.32Å; W85-T98 PolarHBondContact NE1-OG1 3.18Å; T98-Q100 PolarHBondContact O-N 3.19Å; T98-L101 WeakPolarHBondContact O-CB 3.44Å; T98-L101 PolarHBondContact O-N 3.35Å; T98-L101 VanDerWaalsContact O-N 3.11Å
99	Y	91.1	Very high	85.4	Confident	140 Å²	140	95.1 Å²	95.1	55%	0.549	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-66	-18.4	176.3	-72.7	-52	0	0	0	114.7	H97 L101	H97-Y99 VanDerWaalsContact C-N 3.26Å; H97-Y99 AromaticContact CE1-CD2 3.37Å; H97-Y99 WeakPolarHBondContact CE1-CD2 2.83Å; H97-Y99 AromaticContact ND1-CD2 3.62Å; H97-Y99 AromaticContact ND1-CG 3.98Å; H97-Y99 PolarHBondContact ND1-N 2.77Å; H97-Y99 PolarHBondContact O-N 2.85Å; Y99-L101 VanDerWaalsContact C-N 3.27Å
100	Q	93.6	Very high	83.2	Confident	46 Å²	46	101.7 Å²	101.7	22%	0.215	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-89.2	3.5	177.2	-58.5	168.5	-24.9	0	0	112.2	R62 Y64 W71 R96 H97 T98	R62-Q100 HydrophobicContact CB-CB 4.26Å; R62-Q100 PolarHBondContact N-O 3.35Å; Y64-Q100 WeakPolarHBondContact OH-CG 3.39Å; Y64-Q100 PolarHBondContact OH-NE2 3.2Å; W71-Q100 WeakPolarHBondContact CZ3-O 3.09Å; R96-Q100 HydrophobicContact CB-CB 4.28Å; H97-Q100 HydrophobicContact CB-CG 4.24Å; H97-Q100 WeakPolarHBondContact O-CA 3.27Å; H97-Q100 VanDerWaalsContact O-CB 3.29Å; H97-Q100 WeakPolarHBondContact O-CB 3.38Å; H97-Q100 PolarHBondContact O-N 2.85Å; T98-Q100 PolarHBondContact O-N 3.19Å
101	L	92.9	Very high	81.2	Confident	1 Å²	1	96.9 Å²	96.9	1%	0.005	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	146	176.5	-64.6	179.7	0	0	0	110.9	F53 V59 R60 V61 I76 W85 I87 T98 Y99	F53-L101 HydrophobicContact CD2-CB 4.36Å; F53-L101 HydrophobicContact CD2-CD1 4.02Å; F53-L101 HydrophobicContact CE1-CB 4.19Å; F53-L101 HydrophobicContact CE2-CB 3.6Å; F53-L101 HydrophobicContact CE2-CD1 4.08Å; F53-L101 HydrophobicContact CE2-CG 4.48Å; F53-L101 HydrophobicContact CG-CD1 4.48Å; F53-L101 HydrophobicContact CZ-CB 3.5Å; F53-L101 VanDerWaalsContact CZ-CB 3.5Å; V59-L101 HydrophobicContact CB-CD2 4.4Å; V59-L101 HydrophobicContact CG2-CD2 3.81Å; R60-L101 CarbonylContact O-C 3.55Å; R60-L101 WeakPolarHBondContact O-CA 3.46Å; V61-L101 HydrophobicContact CB-CD2 4.19Å; V61-L101 HydrophobicContact CG1-CD2 4.17Å; V61-L101 HydrophobicContact CG2-CD2 3.67Å; I76-L101 HydrophobicContact CD1-CD1 4.28Å; W85-L101 HydrophobicContact CB-CD1 3.85Å; W85-L101 HydrophobicContact CD2-CD1 4.29Å; W85-L101 HydrophobicContact CG-CD1 3.62Å; I87-L101 HydrophobicContact CD1-CD1 4.26Å; I87-L101 HydrophobicContact CD1-CD2 3.59Å; I87-L101 HydrophobicContact CD1-CG 4.35Å; I87-L101 HydrophobicContact CG1-CD1 4.48Å; I87-L101 HydrophobicContact CG1-CD2 3.91Å; T98-L101 WeakPolarHBondContact O-CB 3.44Å; T98-L101 PolarHBondContact O-N 3.35Å; T98-L101 VanDerWaalsContact O-N 3.11Å; Y99-L101 VanDerWaalsContact C-N 3.27Å
102	R	92.2	Very high	79	Confident	136 Å²	136	97.5 Å²	97.5	51%	0.513	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.3	171.6	-71.2	-177.7	174.1	-173.3	-0.7	109.3	V59 R60 W71	V59-R102 CarbonylContact C-O 3.53Å; V59-R102 VanDerWaalsContact CA-O 3.29Å; V59-R102 WeakPolarHBondContact CA-O 3.39Å; V59-R102 WeakPolarHBondContact CB-O 3.33Å; R60-R102 HydrophobicContact CB-CB 4.21Å; R60-R102 PolarHBondContact N-O 3.44Å; R60-R102 PolarHBondContact O-N 3.26Å; W71-R102 HydrophobicContact CE3-CG 4.31Å; W71-R102 HydrophobicContact CH2-CG 3.71Å; W71-R102 VanDerWaalsContact CH2-NE 3.31Å; W71-R102 HydrophobicContact CZ2-CG 4.38Å; W71-R102 HydrophobicContact CZ3-CB 4.25Å; W71-R102 HydrophobicContact CZ3-CG 3.66Å
103	R	89.1	Confident	76.3	Confident	155 Å²	155	96.5 Å²	96.5	59%	0.585	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.5	169.5	-65.4	-177.4	179.1	177.2	-0.1	108.3	H52 F53 S105	H52-R103 PolarHBondContact O-NH2 3.02Å; F53-R103 HydrophobicContact CD1-CG 4.29Å; F53-R103 HydrophobicContact CE1-CG 3.68Å; R103-S105 PolarHBondContact O-N 3.27Å
104	V	87.2	Confident	73.5	Confident	40 Å²	40	97.1 Å²	97.1	24%	0.242	52%	0.522	C	S	.	.			trans	-77.8	99.2	166.1	-177.6	0	0	0	0	105.1	K58 R60 A106	K58-V104 HydrophobicContact CD-CG2 4.49Å; K58-V104 HydrophobicContact CG-CG2 4.11Å; R60-V104 HydrophobicContact CG-CG2 4.03Å; V104-A106 PolarHBondContact O-N 2.89Å; V104-A106 VanDerWaalsContact O-N 3.14Å
105	S	77.6	Confident	70.6	Confident	89 Å²	89	99.8 Å²	99.8	62%	0.622	55%	0.551	S	S	*	*			trans	-58	119.5	161.2	-59.3	0	0	0	0	105.1	R103 E107	R103-S105 PolarHBondContact O-N 3.27Å; S105-E107 PolarHBondContact O-N 3.08Å
106	A	66.1	Low	68.5	Low	93 Å²	93	104.1 Å²	104.1	77%	0.769	57%	0.573	S	S	*	*			trans	-64.3	84.7	165.6	0	0	0	0	0	105.7	V104 L108	V104-A106 PolarHBondContact O-N 2.89Å; V104-A106 VanDerWaalsContact O-N 3.14Å; A106-L108 PolarHBondContact O-N 3.39Å
107	E	58.7	Low	65.8	Low	149 Å²	149	109.1 Å²	109.1	70%	0.696	60%	0.603	S	S	*	*			trans	-61.8	102.4	162.8	-76.2	167.3	-174.2	0	0	103.9	S105 E109	S105-E107 PolarHBondContact O-N 3.08Å; E107-E109 PolarHBondContact O-N 3.16Å; E107-E109 VanDerWaalsContact O-N 3.13Å
108	L	55.2	Low	64.1	Low	145 Å²	145	111.9 Å²	111.9	76%	0.759	62%	0.624	S	S	*	*			trans	-35.4	118.4	167.2	-72.3	154.5	0	0	0	108	A106 N110	A106-L108 PolarHBondContact O-N 3.39Å; L108-N110 PolarHBondContact O-N 3.26Å
109	E	54.3	Low	61.7	Low	193 Å²	193	120.7 Å²	120.7	90%	0.902	67%	0.665	S	S	*	*			trans	-67.3	72.2	173.6	-55.1	-171.7	176.5	0	0	108.9	E107	E107-E109 PolarHBondContact O-N 3.16Å; E107-E109 VanDerWaalsContact O-N 3.13Å
110	N	48.4	Very low	59.6	Low	143 Å²	143	121.9 Å²	121.9	77%	0.765	68%	0.68	S	S	*	*			trans	-130.9	89.3	179.4	-74.5	-15.1	0	0	0	109.1	L108	L108-N110 PolarHBondContact O-N 3.26Å
111	G	48.4	Very low	57	Low	73 Å²	73	123.6 Å²	123.6	75%	0.753	70%	0.702	S	S	*	*	S	Bend	trans	-155.9	19.6	176.2	0	0	0	0	0	115.2
112	E	44.8	Very low	54.9	Low	198 Å²	198	128.7 Å²	128.7	93%	0.925	74%	0.738	S	S	*	*	S	Bend	trans	-161.7	78.8	172.8	-108.1	166.9	-155.1	0	0	110.2
113	A	37.5	Very low	52.4	Low	98 Å²	98	130 Å²	130	81%	0.81	75%	0.754	S	S	*	*	S	Bend	trans	172.2	112.8	146.6	0	0	0	0	0	112.7
114	A	36.1	Very low	50.2	Low	101 Å²	101	127 Å²	127	84%	0.835	76%	0.755	S	S	*	*			trans	38.5	116.5	145.4	0	0	0	0	0	120.8
115	A	35	Very low	48.8	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	79%	0.786	S	S	*	*			trans	-45.7	130.8	163.8	0	0	0	0	0	114.4
116	Q	50.6	Low	47.4	Very low	184 Å²	184	136.5 Å²	136.5	86%	0.86	79%	0.792	S	S	*	*			trans	-140.8	105.4	144.4	-68.5	-170	1.4	0	0	107.7	V118	Q116-V118 PolarHBondContact O-N 3.06Å
117	D	39.4	Very low	46.5	Very low	158 Å²	158	141.1 Å²	141.1	85%	0.845	80%	0.797	S	S	*	*			trans	-65.6	114.5	173.4	-59.3	-56.3	0	0	0	109
118	V	57.1	Low	45.7	Very low	116 Å²	116	139.2 Å²	139.2	70%	0.703	80%	0.796	S	S	*	*			trans	-130.6	93.7	163.5	-175.5	0	0	0	0	107.8	Q116 L120	Q116-V118 PolarHBondContact O-N 3.06Å; V118-L120 HydrophobicContact CG1-CD1 4.38Å; V118-L120 PolarHBondContact O-N 2.99Å
119	E	41.5	Very low	45	Very low	189 Å²	189	136.8 Å²	136.8	88%	0.883	80%	0.797	S	S	*	*			trans	-61.9	114.7	162.2	-179.5	-171.2	170.7	0	0	108.7
120	L	45.4	Very low	44.3	Very low	164 Å²	164	135 Å²	135	86%	0.859	79%	0.792	S	S	*	*			trans	-152.3	123.7	158.1	-104.8	150.2	0	0	0	109.5	V118	V118-L120 HydrophobicContact CG1-CD1 4.38Å; V118-L120 PolarHBondContact O-N 2.99Å
121	A	39.2	Very low	43.6	Very low	83 Å²	83	134.1 Å²	134.1	69%	0.686	80%	0.796	S	S	*	*			trans	-79.3	172.8	-164.5	0	0	0	0	0	114.6
122	S	48.3	Very low	43.3	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	79%	0.794	S	S	*	*			trans	85.2	137.4	155.3	-14.4	0	0	0	0	115.6
123	L	40.2	Very low	43.2	Very low	164 Å²	164	135 Å²	135	86%	0.859	79%	0.792	S	S	*	*			cis	-168.8	172.1	-5.1	-106.2	173.7	0	0	0	104.4
124	P	44.1	Very low	43.7	Very low	91 Å²	91	139 Å²	139	59%	0.591	79%	0.794	S	S	*	*			trans	-93.1	158.9	-154.9	38.5	-35	0	0	0	113
125	D	56.1	Low	44.2	Very low	168 Å²	168	145.2 Å²	145.2	90%	0.898	80%	0.795	S	S	*	*			trans	-144	116.8	149.3	-81.5	-45.9	0	0	0	109.9	E127	D125-E127 PolarHBondContact O-N 3.41Å
126	E	48	Very low	45.1	Very low	160 Å²	160	146.9 Å²	146.9	75%	0.748	80%	0.799	S	S	*	*			trans	-71.2	113.8	176.4	-69	-93.2	136.1	0	0	109.9
127	E	48.6	Very low	44.9	Very low	190 Å²	190	142.9 Å²	142.9	89%	0.888	80%	0.798	S	S	*	*			trans	-121.4	78.3	156.7	-65.6	-156.4	175.1	0	0	108.9	D125 A129	D125-E127 PolarHBondContact O-N 3.41Å; E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 2.82Å
128	T	42.4	Very low	45.6	Very low	109 Å²	109	140 Å²	140	67%	0.669	79%	0.79	S	S	*	*			trans	-65.7	95.9	165.1	40.4	0	0	0	0	108.3	I130	T128-I130 PolarHBondContact O-N 3.4Å
129	A	40.5	Very low	45.3	Very low	95 Å²	95	140 Å²	140	79%	0.785	80%	0.795	S	S	*	*			trans	-61.2	101.5	174.1	0	0	0	0	0	109.9	E127 C131	E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 2.82Å; A129-C131 PolarHBondContact O-N 2.82Å; A129-C131 VanDerWaalsContact O-N 3.13Å
130	I	38	Very low	46.3	Very low	156 Å²	156	138.4 Å²	138.4	80%	0.8	79%	0.791	S	S	*	*			trans	-60.4	112.6	174.2	-60	171.3	0	0	0	107.8	T128 S132	T128-I130 PolarHBondContact O-N 3.4Å; I130-S132 PolarHBondContact O-N 2.85Å
131	C	34.6	Very low	46.7	Very low	123 Å²	123	141.3 Å²	141.3	83%	0.831	79%	0.79	S	S	*	*			trans	-60.1	101	168.5	-91.2	0	0	0	0	108.7	A129 E133	A129-C131 PolarHBondContact O-N 2.82Å; A129-C131 VanDerWaalsContact O-N 3.13Å; C131-E133 PolarHBondContact O-N 3.18Å
132	S	41.9	Very low	47.4	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	79%	0.789	S	S	*	*			trans	-58.4	106.6	-178.5	57.6	0	0	0	0	111.1	I130 Q134	I130-S132 PolarHBondContact O-N 2.85Å; S132-Q134 PolarHBondContact O-N 3Å
133	E	42.3	Very low	47.9	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.874	80%	0.796	S	S	*	*			trans	-59.8	105.4	164	-71.7	-176.2	143.4	0	0	108.8	C131 R135	C131-E133 PolarHBondContact O-N 3.18Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 3.1Å
134	Q	48.1	Very low	48.2	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	80%	0.799	S	S	*	*			trans	-69.6	94.3	164.5	-77.7	177	-36.1	0	0	107.9	S132 P136	S132-Q134 PolarHBondContact O-N 3Å; Q134-P136 WeakPolarHBondContact O-CD 3.18Å
135	R	47.6	Very low	48.7	Very low	230 Å²	230	156.5 Å²	156.5	87%	0.868	83%	0.829	S	S	*	*			trans	-73.9	111.1	168.4	-163.1	174.8	-169.1	158.5	1.5	107.5	E133 A137	E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 3.1Å; R135-A137 PolarHBondContact O-N 3.08Å
136	P	52.4	Low	48.4	Very low	124 Å²	124	155.9 Å²	155.9	81%	0.805	83%	0.826	S	S	*	*			trans	-69.5	107.5	173.9	27.5	-31.7	0	0	0	108.4	Q134	Q134-P136 WeakPolarHBondContact O-CD 3.18Å
137	A	46.8	Very low	48.4	Very low	100 Å²	100	155.7 Å²	155.7	83%	0.826	83%	0.83	S	S	*	*			trans	-91.4	97	164.3	0	0	0	0	0	108.2	R135	R135-A137 PolarHBondContact O-N 3.08Å
138	S	55.2	Low	48.4	Very low	98 Å²	98	153.8 Å²	153.8	69%	0.685	83%	0.827	S	S	*	*			trans	-152.9	84	153	64	0	0	0	0	109.2	I140	S138-I140 PolarHBondContact O-N 3.08Å; S138-I140 VanDerWaalsContact O-N 3.12Å
139	S	49.1	Very low	48.7	Very low	115 Å²	115	156.4 Å²	156.4	80%	0.804	84%	0.836	S	S	*	*			trans	-62.7	99.3	162.3	179.5	0	0	0	0	108.1	R141	S139-R141 VanDerWaalsContact C-N 3.3Å; S139-R141 PolarHBondContact O-N 3.41Å
140	I	63.7	Low	49.2	Very low	156 Å²	156	160.3 Å²	160.3	80%	0.8	84%	0.839	S	S	*	*			trans	-85.6	87.5	164.1	-58.2	177.9	0	0	0	105.9	S138 G142	S138-I140 PolarHBondContact O-N 3.08Å; S138-I140 VanDerWaalsContact O-N 3.12Å; I140-G142 PolarHBondContact O-N 2.83Å
141	R	54.5	Low	50	Low	225 Å²	225	160.5 Å²	160.5	85%	0.849	84%	0.842	S	S	*	*			trans	-70.1	77.7	165.8	-171.3	-179.3	-174.8	-156.4	1.7	107.4	S139 Q143	S139-R141 VanDerWaalsContact C-N 3.3Å; S139-R141 PolarHBondContact O-N 3.41Å; R141-Q143 PolarHBondContact O-N 3.46Å
142	G	51.9	Low	51.1	Low	64 Å²	64	163.2 Å²	163.2	66%	0.66	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-66.4	120.4	173.6	0	0	0	0	0	109.7	I140	I140-G142 PolarHBondContact O-N 2.83Å
143	Q	60.5	Low	51.8	Low	192 Å²	192	167.8 Å²	167.8	90%	0.897	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-65.1	141	-176.6	-75.4	168.8	-88.2	0	0	112	R141 E145	R141-Q143 PolarHBondContact O-N 3.46Å; Q143-E145 PolarHBondContact O-N 3.09Å
144	R	46.9	Very low	52.6	Low	244 Å²	244	166.3 Å²	166.3	92%	0.921	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-54.4	116.9	159.8	174.4	-173.7	-172.7	179.6	1.7	110.2
145	E	54.5	Low	53	Low	264 Å²	264	164.7 Å²	164.7	100%	1.234	85%	0.85	S	S	*	*			trans	-136.4	0	145.6	-75.9	-170.2	154.5	0	0	108.3	Q143	Q143-E145 PolarHBondContact O-N 3.09Å

Retrieved 145 of 145 residues in 118.6 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).