A0A087YEX9_POEFO Loading...

TSEN15 tRNA splicing endonuclease subunit

AlphaFold DB , UniProt , Accession A0A087YEX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 149 aa.

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	38.7	Very low	51.3	Low	245 Å²	245	110.5 Å²	110.5	100%	1.207	74%	0.735	S	S	*	*				0	95.2	0	-74.9	155.5	72.4	0	0	106.3
2	S	45.2	Very low	54	Low	120 Å²	120	111.3 Å²	111.3	84%	0.839	71%	0.712	S	S	*	*			trans	-89.5	128.8	-166.2	-56.2	0	0	0	0	110.8	A4	S2-A4 PolarHBondContact O-N 2.99Å
3	G	48.2	Very low	56.3	Low	81 Å²	81	106.5 Å²	106.5	84%	0.835	68%	0.676	S	S	*	*			trans	-66.8	118.7	170.4	0	0	0	0	0	110.3
4	A	48.3	Very low	58.3	Low	98 Å²	98	105.9 Å²	105.9	81%	0.81	67%	0.665	S	S	*	*			trans	-135.9	53.6	177.1	0	0	0	0	0	109.3	S2	S2-A4 PolarHBondContact O-N 2.99Å
5	S	48.9	Very low	60.3	Low	97 Å²	97	110.9 Å²	110.9	68%	0.678	67%	0.666	S	S	*	*			trans	-119.7	-18.9	-179.1	-31.5	0	0	0	0	113.7	G7	S5-G7 PolarHBondContact O-N 2.99Å
6	D	51.3	Low	62.2	Low	148 Å²	148	106.4 Å²	106.4	79%	0.791	64%	0.635	S	S	*	*	H	α-helix	trans	-78	-16.1	-167.9	-101.5	-9.1	0	0	0	115.5
7	G	50.7	Low	64	Low	60 Å²	60	105.1 Å²	105.1	62%	0.619	63%	0.63	S	S	*	*	H	α-helix	trans	-84.5	-20.3	-175.1	0	0	0	0	0	115.2	S5	S5-G7 PolarHBondContact O-N 2.99Å
8	A	49.4	Very low	65.6	Low	81 Å²	81	99.3 Å²	99.3	67%	0.669	60%	0.596	S	S	*	*	H	α-helix	trans	-79.7	-35.1	-175.5	0	0	0	0	0	112.1	N11	A8-N11 PolarHBondContact O-N 2.88Å
9	E	50.7	Low	67	Low	142 Å²	142	94.5 Å²	94.5	66%	0.664	57%	0.566	S	S	*	*	H	α-helix	trans	-72.2	-37.6	176.8	-63.6	-161.1	157.9	0	0	111.6	N11 W12	E9-N11 PolarHBondContact O-N 2.98Å; E9-W12 PolarHBondContact O-N 3.22Å; E9-W12 PolarHBondContact O-NE1 3.41Å
10	A	58.4	Low	68.2	Low	70 Å²	70	95 Å²	95	58%	0.579	56%	0.561	S	S	*	*	H	α-helix	trans	-58.6	-21.1	177.2	0	0	0	0	0	114
11	N	74	Confident	69.4	Low	73 Å²	73	95.5 Å²	95.5	39%	0.39	56%	0.558	S	S	.	*	H	α-helix	trans	-90.7	-12.3	-174.9	-135.8	-18.2	0	0	0	114	A8 E9 L14 R15	A8-N11 PolarHBondContact O-N 2.88Å; E9-N11 PolarHBondContact O-N 2.98Å; N11-L14 PolarHBondContact O-N 3.32Å; N11-R15 WeakPolarHBondContact O-CG 3.45Å; N11-R15 PolarHBondContact O-N 3.3Å
12	W	84	Confident	72	Confident	121 Å²	121	83.9 Å²	83.9	46%	0.458	50%	0.5	S	S	.	.	H	α-helix	trans	-67.7	-38.1	-177.9	74.5	-110.8	0	0	0	111.6	E9 L14 R15 H16 F37 M41	E9-W12 PolarHBondContact O-N 3.22Å; E9-W12 PolarHBondContact O-NE1 3.41Å; W12-L14 VanDerWaalsContact C-N 3.32Å; W12-L14 PolarHBondContact O-N 3.33Å; W12-R15 CarbonylContact O-C 3.53Å; W12-R15 PolarHBondContact O-N 3.41Å; W12-H16 PolarHBondContact O-N 3.37Å; W12-F37 HydrophobicContact CH2-CZ 4.3Å; W12-F37 AromaticContact CZ3-CZ 3.93Å; W12-F37 HydrophobicContact CZ3-CZ 3.93Å; W12-M41 HydrophobicContact CH2-CE 4.03Å; W12-M41 HydrophobicContact CZ3-CE 4.23Å; W12-M41 HydrophobicContact CZ3-SD 4.42Å
13	I	84.5	Confident	74.3	Confident	48 Å²	48	83.1 Å²	83.1	25%	0.246	48%	0.482	C	S	.	.	H	α-helix	trans	-57	-48.8	177.2	-67.9	175.8	0	0	0	109.9	R15 H16 L19 F37	I13-R15 PolarHBondContact O-N 3.26Å; I13-H16 VanDerWaalsContact O-CB 3.26Å; I13-H16 WeakPolarHBondContact O-CB 3.24Å; I13-H16 PolarHBondContact O-N 2.92Å; I13-H16 VanDerWaalsContact O-N 3.07Å; I13-L19 HydrophobicContact CG2-CD2 3.92Å; I13-L19 WeakPolarHBondContact O-CD2 3.42Å; I13-F37 HydrophobicContact CB-CE1 4.24Å; I13-F37 HydrophobicContact CG1-CE1 4.09Å; I13-F37 HydrophobicContact CG2-CD1 3.97Å; I13-F37 HydrophobicContact CG2-CE1 3.52Å; I13-F37 HydrophobicContact CG2-CZ 4.17Å
14	L	83.9	Confident	76.4	Confident	99 Å²	99	85.8 Å²	85.8	52%	0.518	47%	0.473	S	S	.	.	H	α-helix	trans	-64.2	-24.1	-179.6	-61.7	180	0	0	0	113	N11 W12 L19	N11-L14 PolarHBondContact O-N 3.32Å; W12-L14 VanDerWaalsContact C-N 3.32Å; W12-L14 PolarHBondContact O-N 3.33Å; L14-L19 HydrophobicContact CD2-CD2 4.45Å
15	R	87.7	Confident	78.3	Confident	181 Å²	181	83.3 Å²	83.3	68%	0.683	45%	0.445	S	S	*	.	H	α-helix	trans	-93.6	-10.3	178.2	-70.5	176.7	161.9	-172.7	-5.5	113.3	N11 W12 I13 K20	N11-R15 WeakPolarHBondContact O-CG 3.45Å; N11-R15 PolarHBondContact O-N 3.3Å; W12-R15 CarbonylContact O-C 3.53Å; W12-R15 PolarHBondContact O-N 3.41Å; I13-R15 PolarHBondContact O-N 3.26Å; R15-K20 WeakPolarHBondContact O-CE 3.48Å
16	H	91	Very high	79.9	Confident	38 Å²	38	86 Å²	86	18%	0.176	45%	0.447	C	S	.	.			trans	-61.3	130.9	-174.8	-165.8	-83.1	0	0	0	111.1	W12 I13 A18 L19 K20 F37 Y40	W12-H16 PolarHBondContact O-N 3.37Å; I13-H16 VanDerWaalsContact O-CB 3.26Å; I13-H16 WeakPolarHBondContact O-CB 3.24Å; I13-H16 PolarHBondContact O-N 2.92Å; I13-H16 VanDerWaalsContact O-N 3.07Å; H16-A18 VanDerWaalsContact C-N 3.34Å; H16-A18 WeakPolarHBondContact ND1-CB 3.46Å; H16-A18 PolarHBondContact ND1-N 3.35Å; H16-A18 VanDerWaalsContact ND1-N 3.13Å; H16-A18 PolarHBondContact O-N 3.43Å; H16-L19 HydrophobicContact CB-CB 4.32Å; H16-L19 PolarHBondContact O-N 3.4Å; H16-K20 PolarHBondContact O-N 2.82Å; H16-F37 HydrophobicContact CB-CE2 3.88Å; H16-F37 HydrophobicContact CB-CZ 4.03Å; H16-F37 AromaticContact CG-CE2 3.62Å; H16-F37 AromaticContact CG-CZ 3.95Å; H16-F37 AromaticContact ND1-CE2 3.54Å; H16-Y40 AromaticContact CE1-CE1 3.93Å
17	P	92.3	Very high	81.5	Confident	85 Å²	85	79.4 Å²	79.4	55%	0.552	41%	0.412	S	S	*	.	H	α-helix	trans	-60	-41.6	-176.2	22.1	-32.7	0	0	0	112.5	L19 K20 Q21	P17-L19 VanDerWaalsContact C-N 3.35Å; P17-L19 PolarHBondContact O-N 3.36Å; P17-K20 WeakPolarHBondContact O-CB 3.42Å; P17-K20 PolarHBondContact O-N 3.47Å; P17-K20 VanDerWaalsContact O-N 3.17Å; P17-Q21 WeakPolarHBondContact O-CG 3.39Å; P17-Q21 PolarHBondContact O-N 2.92Å
18	A	92.7	Very high	82.8	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.008	42%	0.422	C	S	.	.	H	α-helix	trans	-62	-39.4	177.8	0	0	0	0	0	112.7	H16 K20 Q21 M22 Y40	H16-A18 VanDerWaalsContact C-N 3.34Å; H16-A18 WeakPolarHBondContact ND1-CB 3.46Å; H16-A18 PolarHBondContact ND1-N 3.35Å; H16-A18 VanDerWaalsContact ND1-N 3.13Å; H16-A18 PolarHBondContact O-N 3.43Å; A18-K20 VanDerWaalsContact C-N 3.3Å; A18-K20 PolarHBondContact O-N 3.49Å; A18-Q21 PolarHBondContact O-N 3.46Å; A18-M22 VanDerWaalsContact O-CG 3.3Å; A18-M22 WeakPolarHBondContact O-CG 3.47Å; A18-M22 PolarHBondContact O-N 2.72Å; A18-Y40 HydrophobicContact CB-CD1 3.86Å; A18-Y40 HydrophobicContact CB-CD2 4.32Å; A18-Y40 HydrophobicContact CB-CE1 3.53Å; A18-Y40 HydrophobicContact CB-CE2 4.03Å; A18-Y40 HydrophobicContact CB-CG 4.25Å
19	L	92.4	Very high	84.6	Confident	7 Å²	7	78.4 Å²	78.4	4%	0.037	40%	0.4	C	S	.	.	H	α-helix	trans	-65.4	-36.9	177	-176.7	66.8	0	0	0	111.3	I13 L14 H16 P17 M22 K23 I33 F37	I13-L19 HydrophobicContact CG2-CD2 3.92Å; I13-L19 WeakPolarHBondContact O-CD2 3.42Å; L14-L19 HydrophobicContact CD2-CD2 4.45Å; H16-L19 HydrophobicContact CB-CB 4.32Å; H16-L19 PolarHBondContact O-N 3.4Å; P17-L19 VanDerWaalsContact C-N 3.35Å; P17-L19 PolarHBondContact O-N 3.36Å; L19-M22 PolarHBondContact O-N 3.24Å; L19-K23 HydrophobicContact CG-CD 4.5Å; L19-K23 WeakPolarHBondContact O-CG 3.33Å; L19-K23 PolarHBondContact O-N 2.86Å; L19-K23 VanDerWaalsContact O-N 3.07Å; L19-I33 HydrophobicContact CD1-CG2 3.83Å; L19-F37 HydrophobicContact CB-CD2 3.79Å; L19-F37 HydrophobicContact CB-CE2 4.09Å; L19-F37 HydrophobicContact CB-CG 4.3Å; L19-F37 HydrophobicContact CD1-CB 3.78Å; L19-F37 HydrophobicContact CD1-CD2 4.24Å; L19-F37 HydrophobicContact CD1-CG 3.94Å
20	K	92.3	Very high	86.5	Confident	105 Å²	105	76 Å²	76	46%	0.457	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-46.4	174.7	-67.1	178.4	-176.9	173	0	111.3	R15 H16 P17 A18 M22 K23 E24	R15-K20 WeakPolarHBondContact O-CE 3.48Å; H16-K20 PolarHBondContact O-N 2.82Å; P17-K20 WeakPolarHBondContact O-CB 3.42Å; P17-K20 PolarHBondContact O-N 3.47Å; P17-K20 VanDerWaalsContact O-N 3.17Å; A18-K20 VanDerWaalsContact C-N 3.3Å; A18-K20 PolarHBondContact O-N 3.49Å; K20-M22 VanDerWaalsContact C-N 3.31Å; K20-M22 PolarHBondContact O-N 2.78Å; K20-K23 WeakPolarHBondContact O-CB 3.44Å; K20-K23 PolarHBondContact O-N 2.82Å; K20-K23 VanDerWaalsContact O-N 3.1Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 2.87Å
21	Q	93.1	Very high	88.1	Confident	106 Å²	106	77.8 Å²	77.8	50%	0.495	40%	0.396	S	S	.	.	H	α-helix	trans	-57.1	-43.8	175.6	-71.1	174.1	-25.2	0	0	111.9	P17 A18 K23 E24 L25	P17-Q21 WeakPolarHBondContact O-CG 3.39Å; P17-Q21 PolarHBondContact O-N 2.92Å; A18-Q21 PolarHBondContact O-N 3.46Å; Q21-K23 VanDerWaalsContact C-N 3.34Å; Q21-K23 PolarHBondContact O-N 3.03Å; Q21-E24 WeakPolarHBondContact O-CB 3.43Å; Q21-E24 PolarHBondContact O-N 2.79Å; Q21-L25 PolarHBondContact O-N 2.86Å
22	M	93.8	Very high	89	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-37.6	176.5	-66.3	173.7	-168.7	0	0	112.7	A18 L19 K20 E24 L25 I33 A36 F37 Y40 C54 V63 L65	A18-M22 VanDerWaalsContact O-CG 3.3Å; A18-M22 WeakPolarHBondContact O-CG 3.47Å; A18-M22 PolarHBondContact O-N 2.72Å; L19-M22 PolarHBondContact O-N 3.24Å; K20-M22 VanDerWaalsContact C-N 3.31Å; K20-M22 PolarHBondContact O-N 2.78Å; M22-E24 VanDerWaalsContact C-N 3.34Å; M22-L25 WeakPolarHBondContact O-CB 3.42Å; M22-L25 PolarHBondContact O-N 3.15Å; M22-I33 HydrophobicContact CB-CG2 4.02Å; M22-A36 HydrophobicContact SD-CB 3.95Å; M22-F37 HydrophobicContact SD-CB 4.03Å; M22-Y40 HydrophobicContact CE-CD2 4.04Å; M22-Y40 HydrophobicContact CE-CG 3.91Å; M22-C54 WeakPolarHBondContact CE-SG 3.35Å; M22-C54 HydrophobicContact CG-CB 4.11Å; M22-V63 HydrophobicContact CG-CG1 4.14Å; M22-L65 HydrophobicContact CE-CD2 3.83Å
23	K	91.7	Very high	89.5	Confident	105 Å²	105	69.2 Å²	69.2	46%	0.457	36%	0.359	S	S	.	.	H	α-helix	trans	-67.3	-35	174.6	-72.5	174.2	178.2	-180	0	112.2	L19 K20 Q21 L25 Q26 I33	L19-K23 HydrophobicContact CG-CD 4.5Å; L19-K23 WeakPolarHBondContact O-CG 3.33Å; L19-K23 PolarHBondContact O-N 2.86Å; L19-K23 VanDerWaalsContact O-N 3.07Å; K20-K23 WeakPolarHBondContact O-CB 3.44Å; K20-K23 PolarHBondContact O-N 2.82Å; K20-K23 VanDerWaalsContact O-N 3.1Å; Q21-K23 VanDerWaalsContact C-N 3.34Å; Q21-K23 PolarHBondContact O-N 3.03Å; K23-L25 PolarHBondContact O-N 3Å; K23-Q26 PolarHBondContact O-N 3.21Å; K23-I33 HydrophobicContact CG-CG2 4.2Å
24	E	92.2	Very high	89.9	Confident	137 Å²	137	71.1 Å²	71.1	64%	0.64	37%	0.366	S	S	*	.	H	α-helix	trans	-65.7	-22.8	176.7	-72.2	165.3	-173.3	0	0	113	K20 Q21 M22 Q26	K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 2.87Å; Q21-E24 WeakPolarHBondContact O-CB 3.43Å; Q21-E24 PolarHBondContact O-N 2.79Å; M22-E24 VanDerWaalsContact C-N 3.34Å; E24-Q26 PolarHBondContact O-N 2.98Å; E24-Q26 VanDerWaalsContact O-N 3.12Å
25	L	88.8	Confident	90.5	Very high	45 Å²	45	66.6 Å²	66.6	24%	0.236	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.4	170.3	-61.2	176.2	0	0	0	112.9	Q21 M22 K23 V27 C54 K56 V63	Q21-L25 PolarHBondContact O-N 2.86Å; M22-L25 WeakPolarHBondContact O-CB 3.42Å; M22-L25 PolarHBondContact O-N 3.15Å; K23-L25 PolarHBondContact O-N 3Å; L25-V27 PolarHBondContact O-N 3.01Å; L25-C54 HydrophobicContact CD1-CB 4.06Å; L25-K56 HydrophobicContact CB-CB 4.29Å; L25-K56 HydrophobicContact CD2-CB 4.3Å; L25-K56 VanDerWaalsContact O-CD 3.29Å; L25-K56 WeakPolarHBondContact O-CD 3.49Å; L25-K56 PolarHBondContact O-NZ 2.96Å; L25-V63 HydrophobicContact CD1-CG1 4.01Å; L25-V63 HydrophobicContact CD1-CG2 4.08Å
26	Q	83.4	Confident	90.9	Very high	153 Å²	153	58 Å²	58	72%	0.715	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	45.2	176	-66.1	169.4	64.6	0	0	111.5	K23 E24 K56	K23-Q26 PolarHBondContact O-N 3.21Å; E24-Q26 PolarHBondContact O-N 2.98Å; E24-Q26 VanDerWaalsContact O-N 3.12Å; Q26-K56 PolarHBondContact O-NZ 3.24Å
27	V	83.6	Confident	91.1	Very high	10 Å²	10	56.2 Å²	56.2	6%	0.061	30%	0.303	C	S	.	.			trans	-77.3	127.6	166.2	160.3	0	0	0	0	107.2	L25 D29 I33 K56 Q61 V63	L25-V27 PolarHBondContact O-N 3.01Å; V27-D29 HydrophobicContact CG1-CB 4.24Å; V27-D29 PolarHBondContact O-N 2.81Å; V27-I33 HydrophobicContact CB-CD1 4.14Å; V27-I33 HydrophobicContact CB-CG1 4.2Å; V27-I33 HydrophobicContact CG1-CD1 4.29Å; V27-I33 HydrophobicContact CG1-CG1 4.07Å; V27-I33 WeakPolarHBondContact O-CD1 3.35Å; V27-K56 HydrophobicContact CG2-CG 4.1Å; V27-Q61 WeakPolarHBondContact CG1-O 3.11Å; V27-V63 HydrophobicContact CB-CG2 4.04Å; V27-V63 HydrophobicContact CG1-CG2 4.38Å; V27-V63 HydrophobicContact CG2-CG2 3.7Å
28	G	77.9	Confident	91.4	Very high	79 Å²	79	53.8 Å²	53.8	81%	0.814	29%	0.285	S	S	*	.	S	Bend	trans	-72.8	-8.3	-174.2	0	0	0	0	0	114.7
29	D	88.1	Confident	91.6	Very high	41 Å²	41	53.7 Å²	53.7	22%	0.219	28%	0.284	C	S	.	.			trans	-104.2	104.3	-174.5	-173.3	-19.1	0	0	0	110.9	V27 E31 Q32 I33 Q85	V27-D29 HydrophobicContact CG1-CB 4.24Å; V27-D29 PolarHBondContact O-N 2.81Å; D29-E31 VanDerWaalsContact C-N 3.31Å; D29-E31 PolarHBondContact O-N 3.43Å; D29-E31 PolarHBondContact OD1-N 2.67Å; D29-Q32 HydrophobicContact CB-CB 3.76Å; D29-Q32 VanDerWaalsContact CG-CB 3.43Å; D29-Q32 PolarHBondContact O-N 3.29Å; D29-Q32 PolarHBondContact OD1-N 3.14Å; D29-I33 WeakPolarHBondContact O-CG1 3.48Å; D29-I33 PolarHBondContact O-N 2.83Å; D29-Q85 PolarHBondContact OD2-NE2 3.13Å
30	S	90.3	Very high	91.9	Very high	93 Å²	93	55.4 Å²	55.4	65%	0.65	29%	0.29	S	S	*	.	H	α-helix	trans	-69.4	-28.8	-179.5	56.4	0	0	0	0	113.4	H34	S30-H34 WeakPolarHBondContact O-CB 3.2Å; S30-H34 PolarHBondContact O-N 2.8Å
31	E	91.3	Very high	92.1	Very high	106 Å²	106	52.2 Å²	52.2	50%	0.495	28%	0.278	S	S	.	.	H	α-helix	trans	-74.1	-39	178.2	-64.3	-179.7	160.2	0	0	110	D29 H34 A35 H84	D29-E31 VanDerWaalsContact C-N 3.31Å; D29-E31 PolarHBondContact O-N 3.43Å; D29-E31 PolarHBondContact OD1-N 2.67Å; E31-H34 PolarHBondContact O-N 3.26Å; E31-A35 WeakPolarHBondContact O-CB 3.46Å; E31-A35 PolarHBondContact O-N 2.83Å; E31-H84 IonicContact OE2-CD2 3.87Å; E31-H84 IonicContact OE2-CE1 3.26Å; E31-H84 IonicContact OE2-NE2 2.83Å; E31-H84 PolarHBondContact OE2-NE2 3.24Å
32	Q	93.1	Very high	92.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-41.2	172.4	-161.9	-77.4	-34.4	0	0	111.8	D29 H34 A35 A36 A62 V63 P80	D29-Q32 HydrophobicContact CB-CB 3.76Å; D29-Q32 VanDerWaalsContact CG-CB 3.43Å; D29-Q32 PolarHBondContact O-N 3.29Å; D29-Q32 PolarHBondContact OD1-N 3.14Å; Q32-H34 VanDerWaalsContact C-N 3.34Å; Q32-H34 PolarHBondContact O-N 2.86Å; Q32-A35 PolarHBondContact O-N 3.24Å; Q32-A36 WeakPolarHBondContact O-CB 3.35Å; Q32-A36 PolarHBondContact O-N 2.74Å; Q32-A62 HydrophobicContact CG-CB 4.36Å; Q32-V63 PolarHBondContact NE2-O 3.27Å; Q32-P80 PolarHBondContact NE2-O 3.36Å
33	I	94.4	Very high	92.5	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-42.1	173.8	-69	165.9	0	0	0	111	L19 M22 K23 V27 D29 A36 F37 V63	L19-I33 HydrophobicContact CD1-CG2 3.83Å; M22-I33 HydrophobicContact CB-CG2 4.02Å; K23-I33 HydrophobicContact CG-CG2 4.2Å; V27-I33 HydrophobicContact CB-CD1 4.14Å; V27-I33 HydrophobicContact CB-CG1 4.2Å; V27-I33 HydrophobicContact CG1-CD1 4.29Å; V27-I33 HydrophobicContact CG1-CG1 4.07Å; V27-I33 WeakPolarHBondContact O-CD1 3.35Å; D29-I33 WeakPolarHBondContact O-CG1 3.48Å; D29-I33 PolarHBondContact O-N 2.83Å; I33-A36 PolarHBondContact O-N 2.8Å; I33-F37 WeakPolarHBondContact O-CB 3.48Å; I33-F37 PolarHBondContact O-N 3.14Å; I33-V63 HydrophobicContact CG1-CG2 4.14Å
34	H	93.9	Very high	92.7	Very high	89 Å²	89	44.8 Å²	44.8	41%	0.412	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-44.9	176.9	-175.8	57.6	0	0	0	111.5	S30 E31 Q32 A36 F37 L38	S30-H34 WeakPolarHBondContact O-CB 3.2Å; S30-H34 PolarHBondContact O-N 2.8Å; E31-H34 PolarHBondContact O-N 3.26Å; Q32-H34 VanDerWaalsContact C-N 3.34Å; Q32-H34 PolarHBondContact O-N 2.86Å; H34-A36 VanDerWaalsContact C-N 3.35Å; H34-A36 PolarHBondContact O-N 2.95Å; H34-F37 WeakPolarHBondContact O-CB 3.47Å; H34-F37 PolarHBondContact O-N 2.94Å; H34-L38 WeakPolarHBondContact O-CG 3.28Å; H34-L38 PolarHBondContact O-N 3.26Å
35	A	95.8	Very high	92.9	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-45.2	174.1	0	0	0	0	0	111.7	E31 Q32 F37 L38 V39 P80 P82 V107	E31-A35 WeakPolarHBondContact O-CB 3.46Å; E31-A35 PolarHBondContact O-N 2.83Å; Q32-A35 PolarHBondContact O-N 3.24Å; A35-F37 VanDerWaalsContact C-N 3.28Å; A35-F37 PolarHBondContact O-N 2.94Å; A35-L38 PolarHBondContact O-N 3.43Å; A35-V39 WeakPolarHBondContact O-CG2 3.27Å; A35-V39 PolarHBondContact O-N 2.96Å; A35-P80 HydrophobicContact CB-CB 4.39Å; A35-P82 HydrophobicContact CB-CG 3.84Å; A35-V107 HydrophobicContact CB-CB 3.92Å; A35-V107 HydrophobicContact CB-CG1 4.07Å; A35-V107 HydrophobicContact CB-CG2 3.84Å
36	A	96.6	Very high	93.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-38.3	175.9	0	0	0	0	0	112.6	M22 Q32 I33 H34 V39 Y40 V63 P80	M22-A36 HydrophobicContact SD-CB 3.95Å; Q32-A36 WeakPolarHBondContact O-CB 3.35Å; Q32-A36 PolarHBondContact O-N 2.74Å; I33-A36 PolarHBondContact O-N 2.8Å; H34-A36 VanDerWaalsContact C-N 3.35Å; H34-A36 PolarHBondContact O-N 2.95Å; A36-V39 PolarHBondContact O-N 3.36Å; A36-Y40 WeakPolarHBondContact O-CB 3.26Å; A36-Y40 PolarHBondContact O-N 3.47Å; A36-V63 HydrophobicContact CB-CB 4.03Å; A36-V63 HydrophobicContact CB-CG1 3.98Å; A36-P80 HydrophobicContact CB-CB 4.04Å; A36-P80 HydrophobicContact CB-CG 3.72Å
37	F	96.4	Very high	93.8	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-43.3	175.2	177.7	-105	0	0	0	112.7	W12 I13 H16 L19 M22 I33 H34 A35 V39 Y40 M41	W12-F37 HydrophobicContact CH2-CZ 4.3Å; W12-F37 AromaticContact CZ3-CZ 3.93Å; W12-F37 HydrophobicContact CZ3-CZ 3.93Å; I13-F37 HydrophobicContact CB-CE1 4.24Å; I13-F37 HydrophobicContact CG1-CE1 4.09Å; I13-F37 HydrophobicContact CG2-CD1 3.97Å; I13-F37 HydrophobicContact CG2-CE1 3.52Å; I13-F37 HydrophobicContact CG2-CZ 4.17Å; H16-F37 HydrophobicContact CB-CE2 3.88Å; H16-F37 HydrophobicContact CB-CZ 4.03Å; H16-F37 AromaticContact CG-CE2 3.62Å; H16-F37 AromaticContact CG-CZ 3.95Å; H16-F37 AromaticContact ND1-CE2 3.54Å; L19-F37 HydrophobicContact CB-CD2 3.79Å; L19-F37 HydrophobicContact CB-CE2 4.09Å; L19-F37 HydrophobicContact CB-CG 4.3Å; L19-F37 HydrophobicContact CD1-CB 3.78Å; L19-F37 HydrophobicContact CD1-CD2 4.24Å; L19-F37 HydrophobicContact CD1-CG 3.94Å; M22-F37 HydrophobicContact SD-CB 4.03Å; I33-F37 WeakPolarHBondContact O-CB 3.48Å; I33-F37 PolarHBondContact O-N 3.14Å; H34-F37 WeakPolarHBondContact O-CB 3.47Å; H34-F37 PolarHBondContact O-N 2.94Å; A35-F37 VanDerWaalsContact C-N 3.28Å; A35-F37 PolarHBondContact O-N 2.94Å; F37-V39 VanDerWaalsContact C-N 3.32Å; F37-V39 PolarHBondContact O-N 2.99Å; F37-Y40 WeakPolarHBondContact O-CB 3.49Å; F37-Y40 PolarHBondContact O-N 3.13Å; F37-M41 HydrophobicContact CD1-CG 4.45Å; F37-M41 HydrophobicContact CE1-CG 3.91Å; F37-M41 HydrophobicContact CE2-CG 3.99Å; F37-M41 HydrophobicContact CE2-SD 3.91Å; F37-M41 HydrophobicContact CZ-CG 3.67Å; F37-M41 HydrophobicContact CZ-SD 3.72Å; F37-M41 WeakPolarHBondContact O-CG 3.48Å; F37-M41 PolarHBondContact O-N 3.32Å
38	L	96.8	Very high	94.4	Very high	33 Å²	33	53.7 Å²	53.7	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-42.7	175.9	-66.3	178.4	0	0	0	111.6	H34 A35 M41 D42 V107 L113	H34-L38 WeakPolarHBondContact O-CG 3.28Å; H34-L38 PolarHBondContact O-N 3.26Å; A35-L38 PolarHBondContact O-N 3.43Å; L38-M41 PolarHBondContact O-N 3.15Å; L38-D42 PolarHBondContact O-N 2.84Å; L38-V107 HydrophobicContact CD1-CG1 3.91Å; L38-L113 HydrophobicContact CB-CD2 4.49Å
39	V	97.9	Very high	95.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-42.3	175.6	178.4	0	0	0	0	111	A35 A36 F37 M41 D42 L43 L65 I78 P80 C105 V107 L113 Y115	A35-V39 WeakPolarHBondContact O-CG2 3.27Å; A35-V39 PolarHBondContact O-N 2.96Å; A36-V39 PolarHBondContact O-N 3.36Å; F37-V39 VanDerWaalsContact C-N 3.32Å; F37-V39 PolarHBondContact O-N 2.99Å; V39-M41 VanDerWaalsContact C-N 3.33Å; V39-M41 PolarHBondContact O-N 3.48Å; V39-D42 PolarHBondContact O-N 2.9Å; V39-L43 HydrophobicContact CG1-CD1 3.98Å; V39-L43 HydrophobicContact CG1-CG 4.21Å; V39-L43 WeakPolarHBondContact O-CB 3.48Å; V39-L43 VanDerWaalsContact O-CG 3.28Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 2.87Å; V39-L65 HydrophobicContact CB-CD1 3.92Å; V39-L65 HydrophobicContact CG1-CD1 3.62Å; V39-I78 HydrophobicContact CG1-CG2 3.78Å; V39-P80 HydrophobicContact CB-CB 4.45Å; V39-P80 HydrophobicContact CB-CG 4.3Å; V39-P80 HydrophobicContact CG2-CB 3.94Å; V39-P80 HydrophobicContact CG2-CG 4.29Å; V39-C105 HydrophobicContact CG1-CB 4.36Å; V39-C105 HydrophobicContact CG2-CB 3.98Å; V39-C105 VanDerWaalsContact CG2-SG 3.51Å; V39-V107 HydrophobicContact CG2-CG2 3.72Å; V39-L113 HydrophobicContact CG2-CD2 4.04Å; V39-Y115 HydrophobicContact CG1-CE1 4.18Å
40	Y	97.6	Very high	95.6	Very high	42 Å²	42	53.9 Å²	53.9	17%	0.165	26%	0.257	C	S	.	.	H	α-helix	trans	-56.5	-47.5	175.3	176.7	-83.8	0	0	0	111.7	H16 A18 M22 A36 F37 D42 L43 T44 V52	H16-Y40 AromaticContact CE1-CE1 3.93Å; A18-Y40 HydrophobicContact CB-CD1 3.86Å; A18-Y40 HydrophobicContact CB-CD2 4.32Å; A18-Y40 HydrophobicContact CB-CE1 3.53Å; A18-Y40 HydrophobicContact CB-CE2 4.03Å; A18-Y40 HydrophobicContact CB-CG 4.25Å; M22-Y40 HydrophobicContact CE-CD2 4.04Å; M22-Y40 HydrophobicContact CE-CG 3.91Å; A36-Y40 WeakPolarHBondContact O-CB 3.26Å; A36-Y40 PolarHBondContact O-N 3.47Å; F37-Y40 WeakPolarHBondContact O-CB 3.49Å; F37-Y40 PolarHBondContact O-N 3.13Å; Y40-D42 PolarHBondContact O-N 3.49Å; Y40-L43 PolarHBondContact O-N 2.96Å; Y40-T44 HydrophobicContact CD1-CG2 4.28Å; Y40-T44 HydrophobicContact CE1-CG2 3.84Å; Y40-T44 HydrophobicContact CE2-CG2 4.14Å; Y40-T44 WeakPolarHBondContact O-CG2 3.38Å; Y40-T44 PolarHBondContact O-N 2.88Å; Y40-T44 PolarHBondContact O-OG1 3.46Å; Y40-V52 HydrophobicContact CD2-CB 4.26Å; Y40-V52 HydrophobicContact CD2-CG1 3.43Å; Y40-V52 VanDerWaalsContact CD2-CG1 3.43Å; Y40-V52 HydrophobicContact CE2-CB 3.93Å; Y40-V52 HydrophobicContact CE2-CG1 3.62Å; Y40-V52 HydrophobicContact CG-CG1 4.42Å
41	M	97.1	Very high	95.8	Very high	39 Å²	39	55.7 Å²	55.7	19%	0.192	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-41.2	178.2	-67.8	-58.7	-57.3	0	0	112.2	W12 F37 L38 V39 E45	W12-M41 HydrophobicContact CH2-CE 4.03Å; W12-M41 HydrophobicContact CZ3-CE 4.23Å; W12-M41 HydrophobicContact CZ3-SD 4.42Å; F37-M41 HydrophobicContact CD1-CG 4.45Å; F37-M41 HydrophobicContact CE1-CG 3.91Å; F37-M41 HydrophobicContact CE2-CG 3.99Å; F37-M41 HydrophobicContact CE2-SD 3.91Å; F37-M41 HydrophobicContact CZ-CG 3.67Å; F37-M41 HydrophobicContact CZ-SD 3.72Å; F37-M41 WeakPolarHBondContact O-CG 3.48Å; F37-M41 PolarHBondContact O-N 3.32Å; L38-M41 PolarHBondContact O-N 3.15Å; V39-M41 VanDerWaalsContact C-N 3.33Å; V39-M41 PolarHBondContact O-N 3.48Å; M41-E45 HydrophobicContact CE-CG 3.67Å; M41-E45 VanDerWaalsContact O-CB 3.26Å; M41-E45 WeakPolarHBondContact O-CB 3.36Å; M41-E45 WeakPolarHBondContact O-CG 3.38Å; M41-E45 PolarHBondContact O-N 3.26Å
42	D	97.6	Very high	96.1	Very high	26 Å²	26	51.8 Å²	51.8	14%	0.139	24%	0.239	C	C	.	.	I	π-helix	trans	-64.8	-43.7	175.5	-179.3	67	0	0	0	111.9	L38 V39 Y40 V46 R47 L113 Y115	L38-D42 PolarHBondContact O-N 2.84Å; V39-D42 PolarHBondContact O-N 2.9Å; Y40-D42 PolarHBondContact O-N 3.49Å; D42-V46 WeakPolarHBondContact O-CB 3.45Å; D42-V46 PolarHBondContact O-N 2.9Å; D42-V46 VanDerWaalsContact O-N 3.14Å; D42-V46 WeakPolarHBondContact OD1-CB 3.5Å; D42-R47 PolarHBondContact O-N 3.45Å; D42-R47 WeakPolarHBondContact OD2-CD 3.33Å; D42-R47 IonicContact OD2-CZ 2.67Å; D42-R47 IonicContact OD2-NE 3.35Å; D42-R47 PolarHBondContact OD2-NE 3.24Å; D42-L113 HydrophobicContact CB-CD1 3.31Å; D42-Y115 WeakPolarHBondContact OD2-CE2 3.35Å; D42-Y115 VanDerWaalsContact OD2-CZ 3.27Å; D42-Y115 PolarHBondContact OD2-OH 2.61Å
43	L	97.5	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-62.1	-44.8	178	-69.1	175.6	0	0	0	111.6	V39 Y40 R48 W49 V52 L65 A67 I78 Y115	V39-L43 HydrophobicContact CG1-CD1 3.98Å; V39-L43 HydrophobicContact CG1-CG 4.21Å; V39-L43 WeakPolarHBondContact O-CB 3.48Å; V39-L43 VanDerWaalsContact O-CG 3.28Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 2.87Å; Y40-L43 PolarHBondContact O-N 2.96Å; L43-R48 WeakPolarHBondContact O-CA 3.36Å; L43-R48 PolarHBondContact O-N 3.33Å; L43-W49 HydrophobicContact CB-CB 4.39Å; L43-W49 HydrophobicContact CD2-CD2 3.78Å; L43-W49 HydrophobicContact CD2-CE3 3.93Å; L43-W49 HydrophobicContact CD2-CG 4.11Å; L43-W49 HydrophobicContact CD2-CZ3 4.43Å; L43-W49 PolarHBondContact O-N 3.01Å; L43-V52 HydrophobicContact CB-CG2 4.28Å; L43-V52 HydrophobicContact CD1-CG1 4.29Å; L43-L65 HydrophobicContact CD1-CB 4.38Å; L43-L65 HydrophobicContact CD1-CD1 3.83Å; L43-A67 HydrophobicContact CD1-CB 4.46Å; L43-I78 HydrophobicContact CD1-CD1 3.94Å; L43-I78 HydrophobicContact CD1-CG1 4.13Å; L43-Y115 HydrophobicContact CD2-CE1 4.29Å
44	T	96.5	Very high	96.2	Very high	29 Å²	29	54.8 Å²	54.8	18%	0.178	26%	0.26	C	S	.	.	I	π-helix	trans	-80.9	-46.1	-176.4	60.1	0	0	0	0	113.3	Y40 R48 V52	Y40-T44 HydrophobicContact CD1-CG2 4.28Å; Y40-T44 HydrophobicContact CE1-CG2 3.84Å; Y40-T44 HydrophobicContact CE2-CG2 4.14Å; Y40-T44 WeakPolarHBondContact O-CG2 3.38Å; Y40-T44 PolarHBondContact O-N 2.88Å; Y40-T44 PolarHBondContact O-OG1 3.46Å; T44-R48 WeakPolarHBondContact O-CA 3.49Å; T44-V52 HydrophobicContact CG2-CB 4.01Å; T44-V52 HydrophobicContact CG2-CG1 4.45Å; T44-V52 HydrophobicContact CG2-CG2 3.72Å
45	E	95.8	Very high	96.2	Very high	125 Å²	125	52 Å²	52	58%	0.584	25%	0.25	S	C	*	.	I	π-helix	trans	-90.7	-42.2	-169.7	-57.4	-52.1	135.2	0	0	112.8	M41	M41-E45 HydrophobicContact CE-CG 3.67Å; M41-E45 VanDerWaalsContact O-CB 3.26Å; M41-E45 WeakPolarHBondContact O-CB 3.36Å; M41-E45 WeakPolarHBondContact O-CG 3.38Å; M41-E45 PolarHBondContact O-N 3.26Å
46	V	96	Very high	95.9	Very high	106 Å²	106	54.7 Å²	54.7	64%	0.642	26%	0.26	S	S	*	.	I	π-helix	trans	-89.2	-56.3	-174.4	-176.4	0	0	0	0	110.1	D42	D42-V46 WeakPolarHBondContact O-CB 3.45Å; D42-V46 PolarHBondContact O-N 2.9Å; D42-V46 VanDerWaalsContact O-N 3.14Å; D42-V46 WeakPolarHBondContact OD1-CB 3.5Å
47	R	95.3	Very high	95.3	Very high	118 Å²	118	55.2 Å²	55.2	45%	0.445	26%	0.263	S	S	.	.	S	Bend	trans	-84.8	-18.5	-176	-60.3	178.3	178.2	-87.9	-6	113.1	D42 W49 Y115	D42-R47 PolarHBondContact O-N 3.45Å; D42-R47 WeakPolarHBondContact OD2-CD 3.33Å; D42-R47 IonicContact OD2-CZ 2.67Å; D42-R47 IonicContact OD2-NE 3.35Å; D42-R47 PolarHBondContact OD2-NE 3.24Å; R47-W49 VanDerWaalsContact C-N 3.28Å; R47-W49 VanDerWaalsContact CB-CD1 3.43Å; R47-W49 HydrophobicContact CB-CG 4.37Å; R47-W49 PolarHBondContact O-N 3.06Å; R47-Y115 VanDerWaalsContact NH2-CD2 3.31Å
48	R	96.2	Very high	94.4	Very high	183 Å²	183	59.3 Å²	59.3	69%	0.691	29%	0.29	S	S	*	.			trans	58.2	35	178.1	-57.5	-179.9	175	-177	-1.5	114.7	L43 T44 K50	L43-R48 WeakPolarHBondContact O-CA 3.36Å; L43-R48 PolarHBondContact O-N 3.33Å; T44-R48 WeakPolarHBondContact O-CA 3.49Å; R48-K50 WeakPolarHBondContact O-CE 3.26Å
49	W	96.9	Very high	93.6	Very high	27 Å²	27	63.3 Å²	63.3	10%	0.102	31%	0.312	C	S	.	.			trans	-62.5	155.9	172.7	-74.1	31.4	0	0	0	110.6	L43 R47 V52 A67 Q68 E69 H76 I78 L103	L43-W49 HydrophobicContact CB-CB 4.39Å; L43-W49 HydrophobicContact CD2-CD2 3.78Å; L43-W49 HydrophobicContact CD2-CE3 3.93Å; L43-W49 HydrophobicContact CD2-CG 4.11Å; L43-W49 HydrophobicContact CD2-CZ3 4.43Å; L43-W49 PolarHBondContact O-N 3.01Å; R47-W49 VanDerWaalsContact C-N 3.28Å; R47-W49 VanDerWaalsContact CB-CD1 3.43Å; R47-W49 HydrophobicContact CB-CG 4.37Å; R47-W49 PolarHBondContact O-N 3.06Å; W49-V52 HydrophobicContact CB-CG2 4.25Å; W49-A67 HydrophobicContact CB-CB 4.47Å; W49-A67 HydrophobicContact CE3-CB 3.65Å; W49-A67 HydrophobicContact CZ3-CB 4.34Å; W49-Q68 CarbonylContact C-O 3.53Å; W49-Q68 WeakPolarHBondContact CA-O 3.49Å; W49-Q68 WeakPolarHBondContact CB-O 3.33Å; W49-E69 HydrophobicContact CD2-CB 4.14Å; W49-E69 HydrophobicContact CE3-CB 4.43Å; W49-E69 HydrophobicContact CH2-CB 4.08Å; W49-E69 HydrophobicContact CZ2-CB 3.73Å; W49-E69 HydrophobicContact CZ2-CG 3.8Å; W49-E69 HydrophobicContact CZ3-CB 4.43Å; W49-H76 HydrophobicContact CH2-CB 4.32Å; W49-H76 HydrophobicContact CZ3-CB 3.87Å; W49-I78 HydrophobicContact CE3-CD1 4.5Å; W49-I78 HydrophobicContact CZ3-CD1 4.08Å; W49-L103 HydrophobicContact CH2-CD1 3.63Å; W49-L103 HydrophobicContact CZ2-CD1 4.39Å; W49-L103 HydrophobicContact CZ3-CD1 4.36Å
50	K	95.2	Very high	92.6	Very high	97 Å²	97	65.1 Å²	65.1	42%	0.422	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	156.7	-174.5	-54.5	-54.8	177.8	-168	0	110.9	R48 V52 Q68 D71	R48-K50 WeakPolarHBondContact O-CE 3.26Å; K50-V52 PolarHBondContact O-N 3.41Å; K50-V52 VanDerWaalsContact O-N 3.15Å; K50-Q68 HydrophobicContact CB-CB 4.46Å; K50-Q68 PolarHBondContact N-O 3.36Å; K50-Q68 PolarHBondContact O-N 3.17Å; K50-D71 HydrophobicContact CG-CB 4.38Å
51	E	94.6	Very high	92	Very high	131 Å²	131	67.6 Å²	67.6	61%	0.612	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.1	37.9	175	-56.4	-171.2	175.5	0	0	114	S53 Q68	E51-S53 PolarHBondContact O-N 2.89Å; E51-S53 VanDerWaalsContact O-N 3.15Å; E51-Q68 PolarHBondContact OE2-NE2 3.49Å
52	V	96.4	Very high	91.7	Very high	24 Å²	24	66 Å²	66	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	113.7	-179.9	-169.1	0	0	0	0	109.7	Y40 L43 T44 W49 K50 E66 A67	Y40-V52 HydrophobicContact CD2-CB 4.26Å; Y40-V52 HydrophobicContact CD2-CG1 3.43Å; Y40-V52 VanDerWaalsContact CD2-CG1 3.43Å; Y40-V52 HydrophobicContact CE2-CB 3.93Å; Y40-V52 HydrophobicContact CE2-CG1 3.62Å; Y40-V52 HydrophobicContact CG-CG1 4.42Å; L43-V52 HydrophobicContact CB-CG2 4.28Å; L43-V52 HydrophobicContact CD1-CG1 4.29Å; T44-V52 HydrophobicContact CG2-CB 4.01Å; T44-V52 HydrophobicContact CG2-CG1 4.45Å; T44-V52 HydrophobicContact CG2-CG2 3.72Å; W49-V52 HydrophobicContact CB-CG2 4.25Å; K50-V52 PolarHBondContact O-N 3.41Å; K50-V52 VanDerWaalsContact O-N 3.15Å; V52-E66 CarbonylContact C-O 3.55Å; V52-E66 WeakPolarHBondContact CA-O 3.25Å; V52-A67 HydrophobicContact CB-CB 4.24Å; V52-A67 HydrophobicContact CG1-CB 4.23Å; V52-A67 HydrophobicContact CG2-CB 3.83Å
53	S	95.1	Very high	91.5	Very high	51 Å²	51	64.8 Å²	64.8	36%	0.357	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157	-179.9	68.1	0	0	0	0	111.2	E51 L65 E66	E51-S53 PolarHBondContact O-N 2.89Å; E51-S53 VanDerWaalsContact O-N 3.15Å; S53-L65 CarbonylContact O-C 3.57Å; S53-L65 VanDerWaalsContact O-CA 3.26Å; S53-L65 WeakPolarHBondContact O-CA 3.46Å; S53-E66 PolarHBondContact N-O 2.9Å; S53-E66 PolarHBondContact O-N 3.08Å; S53-E66 PolarHBondContact OG-O 2.8Å
54	C	94.9	Very high	91.4	Very high	25 Å²	25	64.8 Å²	64.8	17%	0.169	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.3	-177.7	-52.9	0	0	0	0	109.5	M22 L25 V63 L64 L65	M22-C54 WeakPolarHBondContact CE-SG 3.35Å; M22-C54 HydrophobicContact CG-CB 4.11Å; L25-C54 HydrophobicContact CD1-CB 4.06Å; C54-V63 HydrophobicContact CB-CG1 4.27Å; C54-L64 WeakPolarHBondContact CA-O 3.4Å; C54-L65 HydrophobicContact CB-CD2 4.29Å; C54-L65 VanDerWaalsContact SG-CD2 3.6Å
55	V	93.3	Very high	91.4	Very high	31 Å²	31	63.4 Å²	63.4	19%	0.188	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.6	179.4	-58.6	0	0	0	0	110.6	L64 E66	V55-L64 HydrophobicContact CG2-CB 3.71Å; V55-L64 HydrophobicContact CG2-CD1 4.39Å; V55-L64 PolarHBondContact N-O 2.75Å; V55-L64 PolarHBondContact O-N 2.84Å; V55-E66 HydrophobicContact CG2-CG 4.15Å
56	K	91.3	Very high	91.4	Very high	60 Å²	60	58.8 Å²	58.8	26%	0.261	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	139.2	174.6	-173.5	-175.2	-167.7	154.6	0	110.1	L25 Q26 V27	L25-K56 HydrophobicContact CB-CB 4.29Å; L25-K56 HydrophobicContact CD2-CB 4.3Å; L25-K56 VanDerWaalsContact O-CD 3.29Å; L25-K56 WeakPolarHBondContact O-CD 3.49Å; L25-K56 PolarHBondContact O-NZ 2.96Å; Q26-K56 PolarHBondContact O-NZ 3.24Å; V27-K56 HydrophobicContact CG2-CG 4.1Å
57	I	84.1	Confident	91.4	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.062	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.9	156.6	-60.1	173.1	0	0	0	108.4	D59 L60 Q61 A62 L64 A95	I57-D59 VanDerWaalsContact C-N 3.32Å; I57-D59 HydrophobicContact CG2-CB 4.3Å; I57-D59 PolarHBondContact O-N 3.01Å; I57-L60 HydrophobicContact CB-CB 3.93Å; I57-L60 HydrophobicContact CG2-CB 3.85Å; I57-L60 PolarHBondContact O-N 3.46Å; I57-Q61 PolarHBondContact O-N 3.46Å; I57-A62 PolarHBondContact N-O 3.33Å; I57-L64 HydrophobicContact CD1-CD1 3.15Å; I57-L64 HydrophobicContact CD1-CD2 3.98Å; I57-L64 HydrophobicContact CD1-CG 3.53Å; I57-L64 HydrophobicContact CG1-CD1 3.44Å; I57-L64 VanDerWaalsContact CG1-CD1 3.44Å; I57-L64 HydrophobicContact CG1-CG 3.81Å; I57-A95 HydrophobicContact CD1-CB 4.41Å
58	P	76.4	Confident	91.5	Very high	86 Å²	86	49 Å²	49	56%	0.558	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-42.7	178.9	-26	35.3	0	0	0	113.2	L60 Q61	P58-L60 PolarHBondContact O-N 2.82Å; P58-Q61 PolarHBondContact O-N 2.86Å; P58-Q61 PolarHBondContact O-NE2 3.47Å
59	D	80.2	Confident	91.4	Very high	118 Å²	118	45.2 Å²	45.2	63%	0.631	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-32.6	-176.6	-66.5	-9.9	0	0	0	113.2	I57 Q94	I57-D59 VanDerWaalsContact C-N 3.32Å; I57-D59 HydrophobicContact CG2-CB 4.3Å; I57-D59 PolarHBondContact O-N 3.01Å; D59-Q94 VanDerWaalsContact CB-NE2 3.33Å; D59-Q94 PolarHBondContact OD2-NE2 3.21Å
60	L	77.5	Confident	91.2	Very high	37 Å²	37	50.9 Å²	50.9	19%	0.194	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.3	-179.4	-152.5	74.8	0	0	0	112.7	I57 P58 A62 L79 S91	I57-L60 HydrophobicContact CB-CB 3.93Å; I57-L60 HydrophobicContact CG2-CB 3.85Å; I57-L60 PolarHBondContact O-N 3.46Å; P58-L60 PolarHBondContact O-N 2.82Å; L60-A62 HydrophobicContact CB-CB 4.11Å; L60-A62 HydrophobicContact CD2-CB 3.69Å; L60-A62 HydrophobicContact CG-CB 4.01Å; L60-A62 PolarHBondContact O-N 3.14Å; L60-L79 HydrophobicContact CD2-CD1 4.09Å; L60-S91 WeakPolarHBondContact CD1-OG 3.35Å
61	Q	85.2	Confident	90.9	Very high	94 Å²	94	52.7 Å²	52.7	44%	0.439	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	43.4	-167.8	-64.7	-66.7	-44.7	0	0	111.6	V27 I57 P58	V27-Q61 WeakPolarHBondContact CG1-O 3.11Å; I57-Q61 PolarHBondContact O-N 3.46Å; P58-Q61 PolarHBondContact O-N 2.86Å; P58-Q61 PolarHBondContact O-NE2 3.47Å
62	A	89.5	Confident	90.7	Very high	6 Å²	6	49.8 Å²	49.8	5%	0.05	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.7	-178.6	0	0	0	0	0	111.2	Q32 I57 L60	Q32-A62 HydrophobicContact CG-CB 4.36Å; I57-A62 PolarHBondContact N-O 3.33Å; L60-A62 HydrophobicContact CB-CB 4.11Å; L60-A62 HydrophobicContact CD2-CB 3.69Å; L60-A62 HydrophobicContact CG-CB 4.01Å; L60-A62 PolarHBondContact O-N 3.14Å
63	V	94.4	Very high	90.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.6	170.7	-178	0	0	0	0	109.1	M22 L25 V27 Q32 I33 A36 C54 L65 P80	M22-V63 HydrophobicContact CG-CG1 4.14Å; L25-V63 HydrophobicContact CD1-CG1 4.01Å; L25-V63 HydrophobicContact CD1-CG2 4.08Å; V27-V63 HydrophobicContact CB-CG2 4.04Å; V27-V63 HydrophobicContact CG1-CG2 4.38Å; V27-V63 HydrophobicContact CG2-CG2 3.7Å; Q32-V63 PolarHBondContact NE2-O 3.27Å; I33-V63 HydrophobicContact CG1-CG2 4.14Å; A36-V63 HydrophobicContact CB-CB 4.03Å; A36-V63 HydrophobicContact CB-CG1 3.98Å; C54-V63 HydrophobicContact CB-CG1 4.27Å; V63-L65 HydrophobicContact CG1-CD2 4.47Å; V63-P80 WeakPolarHBondContact O-CD 3.43Å
64	L	94.7	Very high	90.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	157.8	163	-67.2	-179.7	0	0	0	110.2	C54 V55 I57 T77 I78 L79	C54-L64 WeakPolarHBondContact CA-O 3.4Å; V55-L64 HydrophobicContact CG2-CB 3.71Å; V55-L64 HydrophobicContact CG2-CD1 4.39Å; V55-L64 PolarHBondContact N-O 2.75Å; V55-L64 PolarHBondContact O-N 2.84Å; I57-L64 HydrophobicContact CD1-CD1 3.15Å; I57-L64 HydrophobicContact CD1-CD2 3.98Å; I57-L64 HydrophobicContact CD1-CG 3.53Å; I57-L64 HydrophobicContact CG1-CD1 3.44Å; I57-L64 VanDerWaalsContact CG1-CD1 3.44Å; I57-L64 HydrophobicContact CG1-CG 3.81Å; L64-T77 HydrophobicContact CB-CG2 4.37Å; L64-T77 HydrophobicContact CD1-CG2 3.52Å; L64-T77 HydrophobicContact CD2-CG2 4.04Å; L64-T77 HydrophobicContact CG-CG2 4.21Å; L64-I78 WeakPolarHBondContact CA-O 3.46Å; L64-I78 WeakPolarHBondContact CD2-O 3.41Å; L64-L79 HydrophobicContact CD2-CB 3.66Å; L64-L79 HydrophobicContact CD2-CD1 3.52Å; L64-L79 HydrophobicContact CD2-CG 4.13Å
65	L	96.5	Very high	90.4	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.5	166.7	-50.4	174.1	0	0	0	109.3	M22 V39 L43 S53 C54 V63 T77 I78 P80	M22-L65 HydrophobicContact CE-CD2 3.83Å; V39-L65 HydrophobicContact CB-CD1 3.92Å; V39-L65 HydrophobicContact CG1-CD1 3.62Å; L43-L65 HydrophobicContact CD1-CB 4.38Å; L43-L65 HydrophobicContact CD1-CD1 3.83Å; S53-L65 CarbonylContact O-C 3.57Å; S53-L65 VanDerWaalsContact O-CA 3.26Å; S53-L65 WeakPolarHBondContact O-CA 3.46Å; C54-L65 HydrophobicContact CB-CD2 4.29Å; C54-L65 VanDerWaalsContact SG-CD2 3.6Å; V63-L65 HydrophobicContact CG1-CD2 4.47Å; L65-T77 CarbonylContact O-C 3.55Å; L65-I78 HydrophobicContact CB-CB 4.24Å; L65-I78 HydrophobicContact CB-CD1 4.42Å; L65-I78 PolarHBondContact N-O 3.01Å; L65-I78 PolarHBondContact O-N 3.21Å; L65-P80 HydrophobicContact CD1-CG 4.37Å; L65-P80 HydrophobicContact CG-CG 4.34Å
66	E	95.9	Very high	90.5	Very high	29 Å²	29	51.9 Å²	51.9	14%	0.136	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.3	169.1	-70.1	-179.5	165.9	0	0	108.1	V52 S53 V55 V75 H76 R98	V52-E66 CarbonylContact C-O 3.55Å; V52-E66 WeakPolarHBondContact CA-O 3.25Å; S53-E66 PolarHBondContact N-O 2.9Å; S53-E66 PolarHBondContact O-N 3.08Å; S53-E66 PolarHBondContact OG-O 2.8Å; V55-E66 HydrophobicContact CG2-CG 4.15Å; E66-V75 HydrophobicContact CB-CG1 3.97Å; E66-V75 HydrophobicContact CG-CG1 4.43Å; E66-H76 WeakPolarHBondContact CA-O 3.44Å; E66-R98 IonicContact OE1-CZ 3.61Å; E66-R98 IonicContact OE1-NE 2.65Å; E66-R98 PolarHBondContact OE1-NE 3.03Å; E66-R98 IonicContact OE1-NH2 3.52Å; E66-R98 PolarHBondContact OE1-NH2 2.97Å
67	A	96.8	Very high	90.7	Very high	1 Å²	1	49 Å²	49	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	156.5	-174.8	0	0	0	0	0	112.1	L43 W49 V52 H76 I78	L43-A67 HydrophobicContact CD1-CB 4.46Å; W49-A67 HydrophobicContact CB-CB 4.47Å; W49-A67 HydrophobicContact CE3-CB 3.65Å; W49-A67 HydrophobicContact CZ3-CB 4.34Å; V52-A67 HydrophobicContact CB-CB 4.24Å; V52-A67 HydrophobicContact CG1-CB 4.23Å; V52-A67 HydrophobicContact CG2-CB 3.83Å; A67-H76 PolarHBondContact N-O 3.38Å; A67-H76 PolarHBondContact O-N 3.46Å; A67-I78 HydrophobicContact CB-CD1 3.98Å
68	Q	96.4	Very high	91.3	Very high	17 Å²	17	48.5 Å²	48.5	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.4	175.9	-57.1	-177	15	0	0	110.1	W49 K50 E51 K70 G72 G73 V75	W49-Q68 CarbonylContact C-O 3.53Å; W49-Q68 WeakPolarHBondContact CA-O 3.49Å; W49-Q68 WeakPolarHBondContact CB-O 3.33Å; K50-Q68 HydrophobicContact CB-CB 4.46Å; K50-Q68 PolarHBondContact N-O 3.36Å; K50-Q68 PolarHBondContact O-N 3.17Å; E51-Q68 PolarHBondContact OE2-NE2 3.49Å; Q68-K70 VanDerWaalsContact C-N 3.26Å; Q68-K70 WeakPolarHBondContact CB-O 3.15Å; Q68-K70 PolarHBondContact O-N 3.05Å; Q68-K70 PolarHBondContact OE1-O 2.73Å; Q68-G72 VanDerWaalsContact OE1-N 3.08Å; Q68-G73 PolarHBondContact OE1-O 2.93Å; Q68-V75 HydrophobicContact CG-CG2 4.02Å
69	E	94	Very high	92.2	Very high	104 Å²	104	44.5 Å²	44.5	49%	0.486	25%	0.25	S	S	.	.	S	Bend	trans	-62.8	-36.6	177.8	-176	-177.1	179	0	0	112	W49	W49-E69 HydrophobicContact CD2-CB 4.14Å; W49-E69 HydrophobicContact CE3-CB 4.43Å; W49-E69 HydrophobicContact CH2-CB 4.08Å; W49-E69 HydrophobicContact CZ2-CB 3.73Å; W49-E69 HydrophobicContact CZ2-CG 3.8Å; W49-E69 HydrophobicContact CZ3-CB 4.43Å
70	K	92.2	Very high	93	Very high	146 Å²	146	39 Å²	39	64%	0.635	22%	0.221	S	C	*	.	S	Bend	trans	-131.3	153.3	178.7	-61.2	179.7	-174.8	173.3	0	108.7	Q68 G72 G73	Q68-K70 VanDerWaalsContact C-N 3.26Å; Q68-K70 WeakPolarHBondContact CB-O 3.15Å; Q68-K70 PolarHBondContact O-N 3.05Å; Q68-K70 PolarHBondContact OE1-O 2.73Å; K70-G72 PolarHBondContact O-N 2.94Å; K70-G73 WeakPolarHBondContact O-CA 3.22Å; K70-G73 PolarHBondContact O-N 3.39Å
71	D	90.6	Very high	93.8	Very high	135 Å²	135	38.1 Å²	38.1	72%	0.722	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	126.9	178.3	-164.5	12.6	0	0	0	111.1	K50 G73	K50-D71 HydrophobicContact CG-CB 4.38Å; D71-G73 PolarHBondContact O-N 3.31Å
72	G	89.1	Confident	94.3	Very high	70 Å²	70	33.8 Å²	33.8	72%	0.722	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	13.2	-173.1	0	0	0	0	0	114.9	Q68 K70	Q68-G72 VanDerWaalsContact OE1-N 3.08Å; K70-G72 PolarHBondContact O-N 2.94Å
73	G	91.5	Very high	94.5	Very high	20 Å²	20	37.5 Å²	37.5	21%	0.206	22%	0.218	C	C	.	.			trans	-78.5	175.1	178.1	0	0	0	0	0	113.2	Q68 K70 D71 V75	Q68-G73 PolarHBondContact OE1-O 2.93Å; K70-G73 WeakPolarHBondContact O-CA 3.22Å; K70-G73 PolarHBondContact O-N 3.39Å; D71-G73 PolarHBondContact O-N 3.31Å; G73-V75 PolarHBondContact O-N 2.81Å
74	P	93.2	Very high	94.3	Very high	88 Å²	88	42.7 Å²	42.7	57%	0.571	24%	0.242	S	C	*	.			trans	-62.8	136.2	172.8	26.5	-32.1	0	0	0	110.5	H76	P74-H76 PolarHBondContact O-CE1 2.9Å; P74-H76 PolarHBondContact O-N 2.97Å; P74-H76 PolarHBondContact O-ND1 3.08Å
75	V	95	Very high	94	Very high	39 Å²	39	45.9 Å²	45.9	24%	0.236	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132	170.6	178.5	0	0	0	0	108.5	E66 Q68 G73 F100 P101	E66-V75 HydrophobicContact CB-CG1 3.97Å; E66-V75 HydrophobicContact CG-CG1 4.43Å; Q68-V75 HydrophobicContact CG-CG2 4.02Å; G73-V75 PolarHBondContact O-N 2.81Å; V75-F100 HydrophobicContact CB-CD1 4.13Å; V75-F100 HydrophobicContact CB-CE1 4.17Å; V75-F100 HydrophobicContact CB-CG 4.4Å; V75-F100 HydrophobicContact CB-CZ 4.47Å; V75-F100 HydrophobicContact CG1-CD1 4.47Å; V75-F100 HydrophobicContact CG1-CD2 4.16Å; V75-F100 HydrophobicContact CG1-CE2 4.26Å; V75-F100 HydrophobicContact CG1-CG 4.28Å; V75-F100 HydrophobicContact CG1-CZ 4.48Å; V75-P101 WeakPolarHBondContact O-CD 3.44Å
76	H	95.6	Very high	93.6	Very high	28 Å²	28	51.2 Å²	51.2	13%	0.13	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.5	171.7	-64.7	68.1	0	0	0	109	W49 E66 A67 P74 I78 P101	W49-H76 HydrophobicContact CH2-CB 4.32Å; W49-H76 HydrophobicContact CZ3-CB 3.87Å; E66-H76 WeakPolarHBondContact CA-O 3.44Å; A67-H76 PolarHBondContact N-O 3.38Å; A67-H76 PolarHBondContact O-N 3.46Å; P74-H76 PolarHBondContact O-CE1 2.9Å; P74-H76 PolarHBondContact O-N 2.97Å; P74-H76 PolarHBondContact O-ND1 3.08Å; H76-I78 HydrophobicContact CB-CD1 4.35Å; H76-P101 WeakPolarHBondContact CA-O 3.47Å
77	T	95.5	Very high	93.2	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.3	166.8	-62.5	0	0	0	0	108.3	L64 L65 P101 L102 L103	L64-T77 HydrophobicContact CB-CG2 4.37Å; L64-T77 HydrophobicContact CD1-CG2 3.52Å; L64-T77 HydrophobicContact CD2-CG2 4.04Å; L64-T77 HydrophobicContact CG-CG2 4.21Å; L65-T77 CarbonylContact O-C 3.55Å; T77-P101 PolarHBondContact N-O 2.93Å; T77-L102 HydrophobicContact CG2-CD1 3.73Å; T77-L102 CarbonylContact O-C 3.55Å; T77-L102 WeakPolarHBondContact O-CA 3.38Å; T77-L103 PolarHBondContact O-N 3.32Å
78	I	96.9	Very high	92.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.2	173.3	-53.6	87	0	0	0	108	V39 L43 W49 L64 L65 A67 H76 P80 L103 C105 Y115	V39-I78 HydrophobicContact CG1-CG2 3.78Å; L43-I78 HydrophobicContact CD1-CD1 3.94Å; L43-I78 HydrophobicContact CD1-CG1 4.13Å; W49-I78 HydrophobicContact CE3-CD1 4.5Å; W49-I78 HydrophobicContact CZ3-CD1 4.08Å; L64-I78 WeakPolarHBondContact CA-O 3.46Å; L64-I78 WeakPolarHBondContact CD2-O 3.41Å; L65-I78 HydrophobicContact CB-CB 4.24Å; L65-I78 HydrophobicContact CB-CD1 4.42Å; L65-I78 PolarHBondContact N-O 3.01Å; L65-I78 PolarHBondContact O-N 3.21Å; A67-I78 HydrophobicContact CB-CD1 3.98Å; H76-I78 HydrophobicContact CB-CD1 4.35Å; I78-P80 WeakPolarHBondContact O-CD 3.39Å; I78-L103 CarbonylContact C-O 3.57Å; I78-L103 VanDerWaalsContact CA-O 3.27Å; I78-L103 WeakPolarHBondContact CA-O 3.08Å; I78-L103 HydrophobicContact CG1-CB 4.22Å; I78-L103 HydrophobicContact CG1-CD1 4.34Å; I78-L103 HydrophobicContact CG2-CB 4.5Å; I78-C105 HydrophobicContact CG2-CB 4.01Å; I78-Y115 HydrophobicContact CG2-CE1 4.18Å
79	L	95.6	Very high	92.6	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	103.2	173.8	174.5	58.1	0	0	0	109.5	L60 L64 L81 L87 L102 L103 L104 C105	L60-L79 HydrophobicContact CD2-CD1 4.09Å; L64-L79 HydrophobicContact CD2-CB 3.66Å; L64-L79 HydrophobicContact CD2-CD1 3.52Å; L64-L79 HydrophobicContact CD2-CG 4.13Å; L79-L81 PolarHBondContact O-N 3.18Å; L79-L87 HydrophobicContact CD2-CD1 3.69Å; L79-L87 HydrophobicContact CD2-CD2 4.32Å; L79-L102 HydrophobicContact CB-CD1 4.1Å; L79-L103 PolarHBondContact N-O 3.26Å; L79-L104 HydrophobicContact CB-CD1 4.25Å; L79-L104 HydrophobicContact CD2-CD1 3.93Å; L79-L104 HydrophobicContact CG-CD1 3.97Å; L79-C105 PolarHBondContact O-N 2.65Å
80	P	96.4	Very high	92.3	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124	172	-15.8	32.5	0	0	0	110	Q32 A35 A36 V39 V63 L65 I78	Q32-P80 PolarHBondContact NE2-O 3.36Å; A35-P80 HydrophobicContact CB-CB 4.39Å; A36-P80 HydrophobicContact CB-CB 4.04Å; A36-P80 HydrophobicContact CB-CG 3.72Å; V39-P80 HydrophobicContact CB-CB 4.45Å; V39-P80 HydrophobicContact CB-CG 4.3Å; V39-P80 HydrophobicContact CG2-CB 3.94Å; V39-P80 HydrophobicContact CG2-CG 4.29Å; V63-P80 WeakPolarHBondContact O-CD 3.43Å; L65-P80 HydrophobicContact CD1-CG 4.37Å; L65-P80 HydrophobicContact CG-CG 4.34Å; I78-P80 WeakPolarHBondContact O-CD 3.39Å
81	L	95.1	Very high	92.1	Very high	19 Å²	19	58.6 Å²	58.6	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112	180	-178.1	68.5	0	0	0	110.4	L79 V83 Q85 L87 L104 C105 A106 V107	L79-L81 PolarHBondContact O-N 3.18Å; L81-V83 PolarHBondContact O-N 3.36Å; L81-Q85 HydrophobicContact CD1-CB 3.92Å; L81-Q85 HydrophobicContact CD1-CG 4Å; L81-L87 HydrophobicContact CB-CD1 4.49Å; L81-L87 HydrophobicContact CD1-CD1 3.99Å; L81-L87 HydrophobicContact CD1-CD2 3.87Å; L81-L87 HydrophobicContact CD1-CG 3.55Å; L81-L87 HydrophobicContact CD2-CD1 3.61Å; L81-L87 HydrophobicContact CD2-CG 3.73Å; L81-L87 HydrophobicContact CG-CD1 4.22Å; L81-L87 HydrophobicContact CG-CG 4.21Å; L81-L104 HydrophobicContact CB-CD1 3.92Å; L81-L104 HydrophobicContact CD2-CD1 4.17Å; L81-C105 PolarHBondContact N-O 2.94Å; L81-A106 CarbonylContact O-C 3.49Å; L81-A106 WeakPolarHBondContact O-CA 3.45Å; L81-V107 PolarHBondContact O-N 3.05Å
82	P	95.3	Very high	92.1	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	134.9	167	-18.4	29.4	0	0	0	111.1	A35 H84 Q85	A35-P82 HydrophobicContact CB-CG 3.84Å; P82-H84 WeakPolarHBondContact CB-CE1 3.45Å; P82-H84 PolarHBondContact O-N 3.46Å; P82-H84 VanDerWaalsContact O-N 3.08Å; P82-Q85 HydrophobicContact CB-CB 4.38Å; P82-Q85 WeakPolarHBondContact O-CB 3.48Å; P82-Q85 PolarHBondContact O-N 2.85Å
83	V	93.7	Very high	92.1	Very high	83 Å²	83	52.2 Å²	52.2	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.5	-173.3	-72.7	0	0	0	0	115.3	L81 Q85 A106 V107 A108	L81-V83 PolarHBondContact O-N 3.36Å; V83-Q85 VanDerWaalsContact C-N 3.35Å; V83-A106 HydrophobicContact CG1-CB 4.34Å; V83-V107 WeakPolarHBondContact CG1-O 3.29Å; V83-V107 PolarHBondContact N-O 3.4Å; V83-A108 HydrophobicContact CG1-CB 4.14Å; V83-A108 HydrophobicContact CG2-CB 4.47Å
84	H	90.2	Very high	92	Very high	109 Å²	109	53 Å²	53	51%	0.505	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-8	177.5	56.3	-83.2	0	0	0	113.2	E31 P82	E31-H84 IonicContact OE2-CD2 3.87Å; E31-H84 IonicContact OE2-CE1 3.26Å; E31-H84 IonicContact OE2-NE2 2.83Å; E31-H84 PolarHBondContact OE2-NE2 3.24Å; P82-H84 WeakPolarHBondContact CB-CE1 3.45Å; P82-H84 PolarHBondContact O-N 3.46Å; P82-H84 VanDerWaalsContact O-N 3.08Å
85	Q	89.6	Confident	91.8	Very high	67 Å²	67	48.9 Å²	48.9	31%	0.313	26%	0.255	S	S	.	.	S	Bend	trans	-93.2	132.4	177.5	-172.9	170.7	54.9	0	0	110.6	D29 L81 P82 V83	D29-Q85 PolarHBondContact OD2-NE2 3.13Å; L81-Q85 HydrophobicContact CD1-CB 3.92Å; L81-Q85 HydrophobicContact CD1-CG 4Å; P82-Q85 HydrophobicContact CB-CB 4.38Å; P82-Q85 WeakPolarHBondContact O-CB 3.48Å; P82-Q85 PolarHBondContact O-N 2.85Å; V83-Q85 VanDerWaalsContact C-N 3.35Å
86	S	88.3	Confident	91.6	Very high	113 Å²	113	48.4 Å²	48.4	79%	0.79	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-88.2	139.6	176.1	-62.7	0	0	0	0	111.2
87	L	87.2	Confident	91.3	Very high	46 Å²	46	53.3 Å²	53.3	24%	0.241	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-102.2	141.9	167.9	-74.4	178.4	0	0	0	111.3	L79 L81 I92 L104	L79-L87 HydrophobicContact CD2-CD1 3.69Å; L79-L87 HydrophobicContact CD2-CD2 4.32Å; L81-L87 HydrophobicContact CB-CD1 4.49Å; L81-L87 HydrophobicContact CD1-CD1 3.99Å; L81-L87 HydrophobicContact CD1-CD2 3.87Å; L81-L87 HydrophobicContact CD1-CG 3.55Å; L81-L87 HydrophobicContact CD2-CD1 3.61Å; L81-L87 HydrophobicContact CD2-CG 3.73Å; L81-L87 HydrophobicContact CG-CD1 4.22Å; L81-L87 HydrophobicContact CG-CG 4.21Å; L87-I92 HydrophobicContact CB-CG1 4.46Å; L87-I92 HydrophobicContact CD1-CG1 4.34Å; L87-L104 HydrophobicContact CD1-CD1 3.48Å; L87-L104 VanDerWaalsContact CD1-CD1 3.48Å; L87-L104 HydrophobicContact CD1-CD2 4.45Å
88	S	89.6	Confident	90.9	Very high	57 Å²	57	57.8 Å²	57.8	40%	0.399	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-87.6	156.3	168.9	81.7	0	0	0	0	110.8	R90 S91 I92	S88-R90 PolarHBondContact O-N 2.94Å; S88-R90 PolarHBondContact OG-N 3.19Å; S88-S91 VanDerWaalsContact O-CB 3.25Å; S88-S91 WeakPolarHBondContact O-CB 3.41Å; S88-S91 PolarHBondContact O-N 3.36Å; S88-S91 VanDerWaalsContact O-N 3.14Å; S88-S91 PolarHBondContact OG-N 3.41Å; S88-S91 VanDerWaalsContact OG-N 3.08Å; S88-S91 PolarHBondContact OG-OG 3.3Å; S88-I92 PolarHBondContact O-N 2.84Å
89	H	89.2	Confident	90.4	Very high	152 Å²	152	61 Å²	61	70%	0.704	33%	0.328	S	S	*	.	H	α-helix	trans	-56	-42	171.8	-179.1	-89.4	0	0	0	111.8	S91 I92 C93	H89-S91 VanDerWaalsContact C-N 3.27Å; H89-S91 PolarHBondContact O-N 3.49Å; H89-I92 PolarHBondContact O-N 2.97Å; H89-I92 VanDerWaalsContact O-N 3.13Å; H89-C93 PolarHBondContact CE1-SG 3.4Å; H89-C93 PolarHBondContact O-N 3.17Å; H89-C93 PolarHBondContact O-SG 3.37Å
90	R	89.3	Confident	90.1	Very high	181 Å²	181	64.7 Å²	64.7	68%	0.683	34%	0.344	S	S	*	.	H	α-helix	trans	-57.6	-41.2	177.4	-179.3	179.8	176.6	-179.1	0	111.9	S88 I92 C93 Q94	S88-R90 PolarHBondContact O-N 2.94Å; S88-R90 PolarHBondContact OG-N 3.19Å; R90-I92 VanDerWaalsContact C-N 3.32Å; R90-I92 PolarHBondContact O-N 3.37Å; R90-C93 PolarHBondContact O-N 2.98Å; R90-Q94 WeakPolarHBondContact O-CG 3.36Å; R90-Q94 PolarHBondContact O-N 3.24Å
91	S	88.1	Confident	89.9	Confident	16 Å²	16	67 Å²	67	11%	0.112	36%	0.359	C	S	.	.	H	α-helix	trans	-60.6	-41.7	177.5	-58.2	0	0	0	0	112.3	L60 S88 H89 A95	L60-S91 WeakPolarHBondContact CD1-OG 3.35Å; S88-S91 VanDerWaalsContact O-CB 3.25Å; S88-S91 WeakPolarHBondContact O-CB 3.41Å; S88-S91 PolarHBondContact O-N 3.36Å; S88-S91 VanDerWaalsContact O-N 3.14Å; S88-S91 PolarHBondContact OG-N 3.41Å; S88-S91 VanDerWaalsContact OG-N 3.08Å; S88-S91 PolarHBondContact OG-OG 3.3Å; H89-S91 VanDerWaalsContact C-N 3.27Å; H89-S91 PolarHBondContact O-N 3.49Å; S91-A95 PolarHBondContact O-N 3.31Å
92	I	89.4	Confident	89.8	Confident	34 Å²	34	66.1 Å²	66.1	17%	0.174	36%	0.355	C	S	.	.	H	α-helix	trans	-68.8	-44.9	178.5	-62.5	167.4	0	0	0	109.9	L87 S88 H89 R90 Q94 A95 L96 L102 M118	L87-I92 HydrophobicContact CB-CG1 4.46Å; L87-I92 HydrophobicContact CD1-CG1 4.34Å; S88-I92 PolarHBondContact O-N 2.84Å; H89-I92 PolarHBondContact O-N 2.97Å; H89-I92 VanDerWaalsContact O-N 3.13Å; R90-I92 VanDerWaalsContact C-N 3.32Å; R90-I92 PolarHBondContact O-N 3.37Å; I92-Q94 VanDerWaalsContact C-N 3.35Å; I92-Q94 PolarHBondContact O-N 3.46Å; I92-A95 PolarHBondContact O-N 3.21Å; I92-A95 VanDerWaalsContact O-N 3.14Å; I92-L96 HydrophobicContact CG2-CD1 3.92Å; I92-L96 HydrophobicContact CG2-CG 4.44Å; I92-L96 WeakPolarHBondContact O-CG 3.3Å; I92-L96 PolarHBondContact O-N 3.01Å; I92-L102 HydrophobicContact CG2-CD2 4.32Å; I92-M118 HydrophobicContact CD1-CE 4.06Å; I92-M118 HydrophobicContact CG2-CE 3.75Å
93	C	89.8	Confident	89.9	Confident	37 Å²	37	67.1 Å²	67.1	25%	0.25	36%	0.36	C	S	.	.	H	α-helix	trans	-57.2	-46.5	175.2	-66.4	0	0	0	0	111.8	H89 R90 A95 L96 D97	H89-C93 PolarHBondContact CE1-SG 3.4Å; H89-C93 PolarHBondContact O-N 3.17Å; H89-C93 PolarHBondContact O-SG 3.37Å; R90-C93 PolarHBondContact O-N 2.98Å; C93-A95 PolarHBondContact O-N 3.35Å; C93-L96 CarbonylContact O-C 3.57Å; C93-L96 WeakPolarHBondContact O-CA 3.39Å; C93-L96 WeakPolarHBondContact O-CB 3.37Å; C93-L96 PolarHBondContact O-N 3.33Å; C93-D97 WeakPolarHBondContact O-CB 3.5Å; C93-D97 PolarHBondContact O-N 3.47Å
94	Q	88.9	Confident	89.9	Confident	37 Å²	37	64.3 Å²	64.3	17%	0.173	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-34.7	177.6	-75.6	173.8	-36	0	0	113.2	D59 R90 I92	D59-Q94 VanDerWaalsContact CB-NE2 3.33Å; D59-Q94 PolarHBondContact OD2-NE2 3.21Å; R90-Q94 WeakPolarHBondContact O-CG 3.36Å; R90-Q94 PolarHBondContact O-N 3.24Å; I92-Q94 VanDerWaalsContact C-N 3.35Å; I92-Q94 PolarHBondContact O-N 3.46Å
95	A	89.2	Confident	90.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-73.8	-36.7	175	0	0	0	0	0	112.2	I57 S91 I92 C93 L102	I57-A95 HydrophobicContact CD1-CB 4.41Å; S91-A95 PolarHBondContact O-N 3.31Å; I92-A95 PolarHBondContact O-N 3.21Å; I92-A95 VanDerWaalsContact O-N 3.14Å; C93-A95 PolarHBondContact O-N 3.35Å; A95-L102 HydrophobicContact CB-CD1 3.95Å; A95-L102 HydrophobicContact CB-CD2 3.69Å; A95-L102 HydrophobicContact CB-CG 4.49Å
96	L	90.2	Very high	90.6	Very high	30 Å²	30	57.4 Å²	57.4	16%	0.157	32%	0.315	C	S	.	.	H	α-helix	trans	-68.8	-36.6	175.4	-72.4	167.2	0	0	0	112.7	I92 C93 R98 G99 L102 M118 D120	I92-L96 HydrophobicContact CG2-CD1 3.92Å; I92-L96 HydrophobicContact CG2-CG 4.44Å; I92-L96 WeakPolarHBondContact O-CG 3.3Å; I92-L96 PolarHBondContact O-N 3.01Å; C93-L96 CarbonylContact O-C 3.57Å; C93-L96 WeakPolarHBondContact O-CA 3.39Å; C93-L96 WeakPolarHBondContact O-CB 3.37Å; C93-L96 PolarHBondContact O-N 3.33Å; L96-R98 PolarHBondContact O-N 3.12Å; L96-G99 PolarHBondContact O-N 2.9Å; L96-L102 HydrophobicContact CD2-CB 3.67Å; L96-L102 HydrophobicContact CD2-CD2 3.92Å; L96-L102 HydrophobicContact CD2-CG 4.45Å; L96-L102 HydrophobicContact CG-CB 4.44Å; L96-L102 HydrophobicContact CG-CD2 3.82Å; L96-M118 HydrophobicContact CD2-CB 4.39Å; L96-D120 HydrophobicContact CD1-CB 4.43Å
97	D	89.5	Confident	91.1	Very high	130 Å²	130	52.4 Å²	52.4	70%	0.695	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.2	-178.7	-69.8	-24.1	0	0	0	113.1	C93 G99	C93-D97 WeakPolarHBondContact O-CB 3.5Å; C93-D97 PolarHBondContact O-N 3.47Å; D97-G99 PolarHBondContact O-N 2.78Å
98	R	87.1	Confident	91.5	Very high	94 Å²	94	51.5 Å²	51.5	36%	0.355	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.9	171.6	-63.4	-176.8	71	94.6	-0.6	113.2	E66 L96 F100	E66-R98 IonicContact OE1-CZ 3.61Å; E66-R98 IonicContact OE1-NE 2.65Å; E66-R98 PolarHBondContact OE1-NE 3.03Å; E66-R98 IonicContact OE1-NH2 3.52Å; E66-R98 PolarHBondContact OE1-NH2 2.97Å; L96-R98 PolarHBondContact O-N 3.12Å; R98-F100 VanDerWaalsContact C-N 3.31Å; R98-F100 PolarHBondContact O-N 3.43Å
99	G	86.9	Confident	91.7	Very high	67 Å²	67	54.1 Å²	54.1	69%	0.691	30%	0.297	S	S	*	.	S	Bend	trans	83.1	-1.8	174.9	0	0	0	0	0	115.4	L96 D97	L96-G99 PolarHBondContact O-N 2.9Å; D97-G99 PolarHBondContact O-N 2.78Å
100	F	88.6	Confident	91.9	Very high	81 Å²	81	52.5 Å²	52.5	36%	0.355	29%	0.294	S	S	.	.	S	Bend	trans	-95.2	149.4	172.8	-59.1	-48	0	0	0	111.2	V75 R98 L102	V75-F100 HydrophobicContact CB-CD1 4.13Å; V75-F100 HydrophobicContact CB-CE1 4.17Å; V75-F100 HydrophobicContact CB-CG 4.4Å; V75-F100 HydrophobicContact CB-CZ 4.47Å; V75-F100 HydrophobicContact CG1-CD1 4.47Å; V75-F100 HydrophobicContact CG1-CD2 4.16Å; V75-F100 HydrophobicContact CG1-CE2 4.26Å; V75-F100 HydrophobicContact CG1-CG 4.28Å; V75-F100 HydrophobicContact CG1-CZ 4.48Å; R98-F100 VanDerWaalsContact C-N 3.31Å; R98-F100 PolarHBondContact O-N 3.43Å; F100-L102 PolarHBondContact O-N 3.22Å
101	P	92.3	Very high	92.1	Very high	49 Å²	49	47 Å²	47	32%	0.318	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-52.2	127	169.8	-25.3	34.3	0	0	0	111.3	V75 H76 T77	V75-P101 WeakPolarHBondContact O-CD 3.44Å; H76-P101 WeakPolarHBondContact CA-O 3.47Å; T77-P101 PolarHBondContact N-O 2.93Å
102	L	94.1	Very high	92.5	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.6	-178	179.2	64.4	0	0	0	111	T77 L79 I92 A95 L96 F100 M118	T77-L102 HydrophobicContact CG2-CD1 3.73Å; T77-L102 CarbonylContact O-C 3.55Å; T77-L102 WeakPolarHBondContact O-CA 3.38Å; L79-L102 HydrophobicContact CB-CD1 4.1Å; I92-L102 HydrophobicContact CG2-CD2 4.32Å; A95-L102 HydrophobicContact CB-CD1 3.95Å; A95-L102 HydrophobicContact CB-CD2 3.69Å; A95-L102 HydrophobicContact CB-CG 4.49Å; L96-L102 HydrophobicContact CD2-CB 3.67Å; L96-L102 HydrophobicContact CD2-CD2 3.92Å; L96-L102 HydrophobicContact CD2-CG 4.45Å; L96-L102 HydrophobicContact CG-CB 4.44Å; L96-L102 HydrophobicContact CG-CD2 3.82Å; F100-L102 PolarHBondContact O-N 3.22Å; L102-M118 HydrophobicContact CB-CB 4.11Å; L102-M118 HydrophobicContact CD2-CB 3.86Å; L102-M118 HydrophobicContact CD2-CG 4.2Å; L102-M118 HydrophobicContact CG-CB 3.99Å; L102-M118 HydrophobicContact CG-CG 4.3Å; L102-M118 PolarHBondContact O-N 3.26Å
103	L	96.1	Very high	92.9	Very high	24 Å²	24	49.8 Å²	49.8	13%	0.126	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.7	165.5	-61.6	-180	0	0	0	108.9	W49 T77 I78 L79 Q116 R117	W49-L103 HydrophobicContact CH2-CD1 3.63Å; W49-L103 HydrophobicContact CZ2-CD1 4.39Å; W49-L103 HydrophobicContact CZ3-CD1 4.36Å; T77-L103 PolarHBondContact O-N 3.32Å; I78-L103 CarbonylContact C-O 3.57Å; I78-L103 VanDerWaalsContact CA-O 3.27Å; I78-L103 WeakPolarHBondContact CA-O 3.08Å; I78-L103 HydrophobicContact CG1-CB 4.22Å; I78-L103 HydrophobicContact CG1-CD1 4.34Å; I78-L103 HydrophobicContact CG2-CB 4.5Å; L79-L103 PolarHBondContact N-O 3.26Å; L103-Q116 CarbonylContact C-O 3.56Å; L103-Q116 WeakPolarHBondContact CA-O 3.47Å; L103-R117 HydrophobicContact CD2-CB 3.95Å; L103-R117 HydrophobicContact CD2-CG 4.24Å
104	L	95.6	Very high	93.2	Very high	24 Å²	24	52.2 Å²	52.2	13%	0.126	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.6	165.8	-179.7	67.6	0	0	0	108.2	L79 L81 L87 Y115 Q116 M118	L79-L104 HydrophobicContact CB-CD1 4.25Å; L79-L104 HydrophobicContact CD2-CD1 3.93Å; L79-L104 HydrophobicContact CG-CD1 3.97Å; L81-L104 HydrophobicContact CB-CD1 3.92Å; L81-L104 HydrophobicContact CD2-CD1 4.17Å; L87-L104 HydrophobicContact CD1-CD1 3.48Å; L87-L104 VanDerWaalsContact CD1-CD1 3.48Å; L87-L104 HydrophobicContact CD1-CD2 4.45Å; L104-Y115 WeakPolarHBondContact O-CA 3.47Å; L104-Q116 PolarHBondContact N-O 3.44Å; L104-Q116 PolarHBondContact O-N 3.1Å; L104-M118 HydrophobicContact CB-CG 3.81Å; L104-M118 HydrophobicContact CB-SD 4.26Å; L104-M118 HydrophobicContact CD2-SD 4.49Å
105	C	97.4	Very high	93.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	106.2	174.8	-173.2	0	0	0	0	110	V39 I78 L79 L81 V114 Y115	V39-C105 HydrophobicContact CG1-CB 4.36Å; V39-C105 HydrophobicContact CG2-CB 3.98Å; V39-C105 VanDerWaalsContact CG2-SG 3.51Å; I78-C105 HydrophobicContact CG2-CB 4.01Å; L79-C105 PolarHBondContact O-N 2.65Å; L81-C105 PolarHBondContact N-O 2.94Å; C105-V114 CarbonylContact C-O 3.58Å; C105-V114 WeakPolarHBondContact CA-O 3.36Å; C105-Y115 HydrophobicContact CB-CD1 3.92Å; C105-Y115 HydrophobicContact CB-CE1 3.86Å
106	A	97.1	Very high	93.9	Very high	31 Å²	31	58.3 Å²	58.3	26%	0.256	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.5	171.6	0	0	0	0	0	109.8	L81 V83 L113 V114	L81-A106 CarbonylContact O-C 3.49Å; L81-A106 WeakPolarHBondContact O-CA 3.45Å; V83-A106 HydrophobicContact CG1-CB 4.34Å; A106-L113 WeakPolarHBondContact O-CA 3.14Å; A106-V114 HydrophobicContact CB-CB 4.45Å; A106-V114 PolarHBondContact N-O 3.07Å; A106-V114 PolarHBondContact O-N 3.19Å
107	V	97.6	Very high	94	Very high	8 Å²	8	65.3 Å²	65.3	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.7	-176.6	-173.9	0	0	0	0	109.3	A35 L38 V39 L81 V83 L113	A35-V107 HydrophobicContact CB-CB 3.92Å; A35-V107 HydrophobicContact CB-CG1 4.07Å; A35-V107 HydrophobicContact CB-CG2 3.84Å; L38-V107 HydrophobicContact CD1-CG1 3.91Å; V39-V107 HydrophobicContact CG2-CG2 3.72Å; L81-V107 PolarHBondContact O-N 3.05Å; V83-V107 WeakPolarHBondContact CG1-O 3.29Å; V83-V107 PolarHBondContact N-O 3.4Å; V107-L113 HydrophobicContact CB-CD2 4.04Å; V107-L113 HydrophobicContact CG1-CD2 3.71Å; V107-L113 HydrophobicContact CG2-CD2 3.61Å
108	A	96.4	Very high	94.1	Very high	27 Å²	27	60.9 Å²	60.9	22%	0.223	34%	0.34	C	S	.	.			trans	-78.9	159.4	177.5	0	0	0	0	0	111.6	V83 D110 S111 T112	V83-A108 HydrophobicContact CG1-CB 4.14Å; V83-A108 HydrophobicContact CG2-CB 4.47Å; A108-D110 WeakPolarHBondContact CB-OD1 3.29Å; A108-D110 PolarHBondContact O-N 3.07Å; A108-S111 WeakPolarHBondContact O-CA 3.45Å; A108-S111 PolarHBondContact O-N 3.19Å; A108-T112 PolarHBondContact N-O 2.96Å
109	S	92.8	Very high	94.2	Very high	113 Å²	113	59.1 Å²	59.1	79%	0.79	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-21	-179.9	-48.9	0	0	0	0	113.6	S111	S109-S111 PolarHBondContact O-N 2.97Å
110	D	94.4	Very high	94.1	Very high	117 Å²	117	63 Å²	63	63%	0.626	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	11.2	172.4	65.5	3.9	0	0	0	112.9	A108 T112	A108-D110 WeakPolarHBondContact CB-OD1 3.29Å; A108-D110 PolarHBondContact O-N 3.07Å; D110-T112 VanDerWaalsContact CG-OG1 3.24Å; D110-T112 PolarHBondContact O-N 3.07Å; D110-T112 WeakPolarHBondContact OD1-CB 3.26Å; D110-T112 PolarHBondContact OD1-N 3.45Å; D110-T112 PolarHBondContact OD1-OG1 3.48Å; D110-T112 PolarHBondContact OD2-OG1 3Å
111	S	92.6	Very high	93.8	Very high	66 Å²	66	61.6 Å²	61.6	46%	0.462	35%	0.353	S	S	.	.			trans	67.8	13.3	-175.7	-47.9	0	0	0	0	115	A108 S109 L113	A108-S111 WeakPolarHBondContact O-CA 3.45Å; A108-S111 PolarHBondContact O-N 3.19Å; S109-S111 PolarHBondContact O-N 2.97Å; S111-L113 PolarHBondContact O-N 2.79Å
112	T	96.1	Very high	93.1	Very high	72 Å²	72	68 Å²	68	44%	0.442	38%	0.384	S	S	.	.			trans	-67	133.1	171.4	-56.8	0	0	0	0	110.5	A108 D110 V114	A108-T112 PolarHBondContact N-O 2.96Å; D110-T112 VanDerWaalsContact CG-OG1 3.24Å; D110-T112 PolarHBondContact O-N 3.07Å; D110-T112 WeakPolarHBondContact OD1-CB 3.26Å; D110-T112 PolarHBondContact OD1-N 3.45Å; D110-T112 PolarHBondContact OD1-OG1 3.48Å; D110-T112 PolarHBondContact OD2-OG1 3Å; T112-V114 HydrophobicContact CG2-CG2 4.47Å
113	L	98	Very high	92.3	Very high	37 Å²	37	72.5 Å²	72.5	19%	0.194	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.4	-179.4	-56.8	179.6	0	0	0	110.8	L38 V39 D42 A106 V107 S111 Y115	L38-L113 HydrophobicContact CB-CD2 4.49Å; V39-L113 HydrophobicContact CG2-CD2 4.04Å; D42-L113 HydrophobicContact CB-CD1 3.31Å; A106-L113 WeakPolarHBondContact O-CA 3.14Å; V107-L113 HydrophobicContact CB-CD2 4.04Å; V107-L113 HydrophobicContact CG1-CD2 3.71Å; V107-L113 HydrophobicContact CG2-CD2 3.61Å; S111-L113 PolarHBondContact O-N 2.79Å; L113-Y115 HydrophobicContact CB-CE2 4.04Å
114	V	97.3	Very high	91.6	Very high	87 Å²	87	77.5 Å²	77.5	53%	0.527	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.1	176.1	-179.9	0	0	0	0	109.5	C105 A106 T112	C105-V114 CarbonylContact C-O 3.58Å; C105-V114 WeakPolarHBondContact CA-O 3.36Å; A106-V114 HydrophobicContact CB-CB 4.45Å; A106-V114 PolarHBondContact N-O 3.07Å; A106-V114 PolarHBondContact O-N 3.19Å; T112-V114 HydrophobicContact CG2-CG2 4.47Å
115	Y	96.9	Very high	90.9	Very high	48 Å²	48	81.5 Å²	81.5	19%	0.188	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.2	179.1	-66	-95.1	0	0	0	110.6	V39 D42 L43 R47 I78 L104 C105 L113	V39-Y115 HydrophobicContact CG1-CE1 4.18Å; D42-Y115 WeakPolarHBondContact OD2-CE2 3.35Å; D42-Y115 VanDerWaalsContact OD2-CZ 3.27Å; D42-Y115 PolarHBondContact OD2-OH 2.61Å; L43-Y115 HydrophobicContact CD2-CE1 4.29Å; R47-Y115 VanDerWaalsContact NH2-CD2 3.31Å; I78-Y115 HydrophobicContact CG2-CE1 4.18Å; L104-Y115 WeakPolarHBondContact O-CA 3.47Å; C105-Y115 HydrophobicContact CB-CD1 3.92Å; C105-Y115 HydrophobicContact CB-CE1 3.86Å; L113-Y115 HydrophobicContact CB-CE2 4.04Å
116	Q	94.6	Very high	90.1	Very high	118 Å²	118	88.7 Å²	88.7	55%	0.551	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.2	174.5	-179.1	172.3	-7.7	0	0	109.5	L103 L104 M118	L103-Q116 CarbonylContact C-O 3.56Å; L103-Q116 WeakPolarHBondContact CA-O 3.47Å; L104-Q116 PolarHBondContact N-O 3.44Å; L104-Q116 PolarHBondContact O-N 3.1Å; Q116-M118 HydrophobicContact CG-SD 4.24Å
117	R	93.1	Very high	89.4	Confident	176 Å²	176	92.1 Å²	92.1	66%	0.664	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.7	173.7	-174.2	177.4	177.3	-179	-0.4	110.2	L103 T119	L103-R117 HydrophobicContact CD2-CB 3.95Å; L103-R117 HydrophobicContact CD2-CG 4.24Å; R117-T119 HydrophobicContact CG-CG2 4.37Å
118	M	91.8	Very high	88.7	Confident	38 Å²	38	96 Å²	96	19%	0.187	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	137.5	174.7	-57	-59.2	-70.6	0	0	109.1	I92 L96 L102 L104 Q116	I92-M118 HydrophobicContact CD1-CE 4.06Å; I92-M118 HydrophobicContact CG2-CE 3.75Å; L96-M118 HydrophobicContact CD2-CB 4.39Å; L102-M118 HydrophobicContact CB-CB 4.11Å; L102-M118 HydrophobicContact CD2-CB 3.86Å; L102-M118 HydrophobicContact CD2-CG 4.2Å; L102-M118 HydrophobicContact CG-CB 3.99Å; L102-M118 HydrophobicContact CG-CG 4.3Å; L102-M118 PolarHBondContact O-N 3.26Å; L104-M118 HydrophobicContact CB-CG 3.81Å; L104-M118 HydrophobicContact CB-SD 4.26Å; L104-M118 HydrophobicContact CD2-SD 4.49Å; Q116-M118 HydrophobicContact CG-SD 4.24Å
119	T	88	Confident	87.9	Confident	56 Å²	56	102.1 Å²	102.1	34%	0.344	59%	0.588	S	S	.	*			trans	-134.6	146.1	179.4	52.5	0	0	0	0	110.1	R117 G121 V123	R117-T119 HydrophobicContact CG-CG2 4.37Å; T119-G121 PolarHBondContact O-N 2.94Å; T119-G121 PolarHBondContact OG1-O 3.01Å; T119-V123 HydrophobicContact CG2-CG2 3.74Å; T119-V123 VanDerWaalsContact OG1-CG2 3.24Å; T119-V123 WeakPolarHBondContact OG1-CG2 3.43Å
120	D	84.9	Confident	87.1	Confident	148 Å²	148	99.2 Å²	99.2	79%	0.791	58%	0.576	S	S	*	*	S	Bend	trans	-78.1	103.1	168.5	-175	20.1	0	0	0	109.2	L96	L96-D120 HydrophobicContact CD1-CB 4.43Å
121	G	82.1	Confident	86	Confident	53 Å²	53	99.6 Å²	99.6	55%	0.546	58%	0.584	S	S	.	*	S	Bend	trans	97.4	-171.5	178.8	0	0	0	0	0	115.8	T119	T119-G121 PolarHBondContact O-N 2.94Å; T119-G121 PolarHBondContact OG1-O 3.01Å
122	L	77.4	Confident	84.6	Confident	182 Å²	182	104.1 Å²	104.1	95%	0.953	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-80.4	129	-175.7	-64.5	174.9	0	0	0	111.1
123	V	79.1	Confident	83.1	Confident	97 Å²	97	108.6 Å²	108.6	59%	0.588	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-100.3	131.6	172.4	-178.3	0	0	0	0	108.6	T119 P125	T119-V123 HydrophobicContact CG2-CG2 3.74Å; T119-V123 VanDerWaalsContact OG1-CG2 3.24Å; T119-V123 WeakPolarHBondContact OG1-CG2 3.43Å; V123-P125 WeakPolarHBondContact O-CD 3.36Å
124	T	80.1	Confident	81.4	Confident	129 Å²	129	113.1 Å²	113.1	79%	0.791	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-68	121.3	171.2	-51.3	0	0	0	0	108.7
125	P	81.1	Confident	79.8	Confident	108 Å²	108	115.4 Å²	115.4	70%	0.701	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-66.3	151.8	177.8	29.1	-34.6	0	0	0	109.9	V123	V123-P125 WeakPolarHBondContact O-CD 3.36Å
126	D	80.5	Confident	78	Confident	152 Å²	152	116.1 Å²	116.1	81%	0.813	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57.7	139.5	170.9	-68.9	-42.1	0	0	0	109.7
127	P	82.4	Confident	76.3	Confident	103 Å²	103	121.2 Å²	121.2	67%	0.669	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-59.8	138.7	176.8	24.7	-32.1	0	0	0	109.2	V129	P127-V129 PolarHBondContact O-N 3.18Å
128	P	82.4	Confident	74.6	Confident	88 Å²	88	124.5 Å²	124.5	57%	0.571	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-60	132.8	179.1	26.3	-34.9	0	0	0	109.7	G130 F132	P128-G130 PolarHBondContact O-N 2.94Å; P128-F132 HydrophobicContact CG-CE1 3.55Å; P128-F132 HydrophobicContact CG-CE2 4.07Å; P128-F132 HydrophobicContact CG-CZ 3.22Å
129	V	80.8	Confident	72.9	Confident	157 Å²	157	131.8 Å²	131.8	95%	0.952	73%	0.733	S	S	*	*	S	Bend	trans	-77.7	109.3	177.2	-100.2	0	0	0	0	109.5	P127	P127-V129 PolarHBondContact O-N 3.18Å
130	G	75.8	Confident	71.2	Confident	51 Å²	51	138.7 Å²	138.7	53%	0.526	76%	0.76	S	S	.	*	S	Bend	trans	153.1	162.1	173.8	0	0	0	0	0	112.9	P128 F132	P128-G130 PolarHBondContact O-N 2.94Å; G130-F132 PolarHBondContact O-N 3.49Å
131	P	71	Confident	69.8	Low	125 Å²	125	143 Å²	143	81%	0.812	77%	0.766	S	S	*	*			trans	-62.9	121	169.6	24.8	-29.3	0	0	0	109.2	E133	P131-E133 PolarHBondContact O-N 3.28Å
132	F	64.1	Low	68.5	Low	162 Å²	162	150.3 Å²	150.3	71%	0.711	78%	0.782	S	S	*	*			trans	-67.7	97.9	166.8	-71.5	-92.6	0	0	0	108.1	P128 G130 D134	P128-F132 HydrophobicContact CG-CE1 3.55Å; P128-F132 HydrophobicContact CG-CE2 4.07Å; P128-F132 HydrophobicContact CG-CZ 3.22Å; G130-F132 PolarHBondContact O-N 3.49Å; F132-D134 VanDerWaalsContact C-N 3.31Å; F132-D134 PolarHBondContact O-N 3.42Å
133	E	64.4	Low	67.4	Low	166 Å²	166	153.5 Å²	153.5	78%	0.776	78%	0.782	S	S	*	*			trans	-69.3	97.3	163.4	-73.1	-164.8	131.2	0	0	107.8	P131 V135	P131-E133 PolarHBondContact O-N 3.28Å; E133-V135 HydrophobicContact CB-CG2 3.9Å; E133-V135 WeakPolarHBondContact O-CG2 3.43Å; E133-V135 PolarHBondContact O-N 3.39Å
134	D	62.8	Low	66.2	Low	131 Å²	131	160.7 Å²	160.7	70%	0.701	80%	0.798	S	S	*	*			trans	-72.2	76.8	168.4	-165.7	5.1	0	0	0	108	F132 G136	F132-D134 VanDerWaalsContact C-N 3.31Å; F132-D134 PolarHBondContact O-N 3.42Å; D134-G136 PolarHBondContact O-N 3.41Å
135	V	63.2	Low	65.1	Low	136 Å²	136	163.7 Å²	163.7	82%	0.824	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-4.3	-174.6	-175.1	0	0	0	0	112.3	E133	E133-V135 HydrophobicContact CB-CG2 3.9Å; E133-V135 WeakPolarHBondContact O-CG2 3.43Å; E133-V135 PolarHBondContact O-N 3.39Å
136	G	59.4	Low	63.8	Low	63 Å²	63	167.8 Å²	167.8	65%	0.649	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-11.6	-157.1	0	0	0	0	0	120.1	D134	D134-G136 PolarHBondContact O-N 3.41Å
137	R	57.8	Low	62.3	Low	224 Å²	224	169.9 Å²	169.9	85%	0.845	82%	0.818	S	S	*	*	S	Bend	trans	-132	8	-160.1	-85.8	-171.9	-178.7	-167	2.8	120.5
138	R	57.3	Low	60.7	Low	246 Å²	246	173.7 Å²	173.7	93%	0.928	83%	0.827	S	S	*	*	S	Bend	trans	-106.6	1.3	-173.9	-75.5	-173.8	176.9	179.1	0.5	118.4
139	Q	55.6	Low	58.7	Low	191 Å²	191	184.9 Å²	184.9	89%	0.893	86%	0.858	S	S	*	*	S	Bend	trans	-96.8	-1.3	-173.6	-67.1	-162.1	0.8	0	0	117.3
140	H	53.1	Low	57.6	Low	200 Å²	200	186.3 Å²	186.3	93%	0.926	85%	0.853	S	S	*	*	S	Bend	trans	-101.6	18.7	-172.9	-105.7	-77.5	0	0	0	117.2
141	R	56.7	Low	56.6	Low	240 Å²	240	193.4 Å²	193.4	91%	0.906	87%	0.87	S	S	*	*	S	Bend	trans	-124.2	37	-179.9	-153.2	-177.3	174.1	174.9	-1.2	115.4
142	K	54.5	Low	55.8	Low	206 Å²	206	197.2 Å²	197.2	90%	0.896	87%	0.874	S	S	*	*	S	Bend	trans	-136.2	28.1	174.1	-73.6	-163.8	177.6	-176.4	0	115.8
143	R	53.5	Low	55.3	Low	248 Å²	248	199.3 Å²	199.3	94%	0.936	88%	0.883	S	S	*	*	S	Bend	trans	-127.2	38.2	-177.8	-131.4	179.2	171.3	-163.2	-4.1	114.9
144	R	54.3	Low	54.8	Low	248 Å²	248	201.4 Å²	201.4	94%	0.936	89%	0.89	S	S	*	*	S	Bend	trans	-133.5	6.6	175.9	-100.6	-172.3	169.1	-163.2	-3.2	116.6
145	Q	56	Low	54.2	Low	192 Å²	192	206.1 Å²	206.1	90%	0.897	90%	0.902	S	S	*	*	S	Bend	trans	-115.6	7.9	-178.9	-85.9	-174.3	7.6	0	0	115.9
146	Q	53.4	Low	53.6	Low	195 Å²	195	211.1 Å²	211.1	91%	0.911	91%	0.908	S	S	*	*	S	Bend	trans	-115	17.4	-177.8	-93.4	-178.6	6.2	0	0	115.7
147	Q	49.9	Very low	53.2	Low	195 Å²	195	222.5 Å²	222.5	91%	0.911	93%	0.928	S	S	*	*	S	Bend	trans	-115.5	26.2	172.8	-83.6	-176.7	-3.8	0	0	113.9
148	Q	49.5	Very low	52.8	Low	184 Å²	184	222.3 Å²	222.3	86%	0.86	94%	0.935	S	S	*	*			trans	-135.8	74.4	166	-74.3	-176.1	-6.6	0	0	109.5
149	R	39.7	Very low	52.4	Low	323 Å²	323	220.2 Å²	220.2	100%	1.219	94%	0.935	S	S	*	*			trans	-151.1	0	151.5	-79.2	-155.4	170.6	-167.6	-4.8	108.9

Retrieved 149 of 149 residues in 606.8 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).