A0A060X588_ONCMY Loading...

N-alpha-acetyltransferase 38, NatC auxiliary subunit

AlphaFold DB , UniProt , Accession A0A060X588, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110531706, Length 113 aa.

						>A0A060X588_ONCMY|A0A060X588|LOC110531706
MATMIEENGPSTHGRGELSSYSSRARQKLESLLNKNMRIRMTDGRTLVGLFLCTDRDCNVILGSAQEFLKSSDSFSQGEPRVLGLAMIPGHHVVSIEVESDSLVGTQGFGSSH
					

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(Predicted Aligned Error values between residue pairs)

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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	50.7	Low	48.8	Very low	251 Å²	251	150.5 Å²	150.5	100%	1.236	85%	0.851	S	S	*	*				0	110.8	0	-79.1	-168.1	174.8	0	0	108.6
2	A	36.8	Very low	49.2	Very low	105 Å²	105	148.1 Å²	148.1	87%	0.868	84%	0.842	S	S	*	*			trans	-156.2	118.4	154.5	0	0	0	0	0	105.4
3	T	45.3	Very low	49.5	Very low	129 Å²	129	150.8 Å²	150.8	79%	0.791	84%	0.842	S	S	*	*			trans	-86.3	144.2	-168	42.7	0	0	0	0	111.8
4	M	47.5	Very low	49.7	Very low	177 Å²	177	143.4 Å²	143.4	87%	0.872	82%	0.818	S	S	*	*			trans	37.1	112.2	141.9	-52.5	-86.4	-170.5	0	0	117.3
5	I	52.9	Low	50.1	Low	175 Å²	175	149.8 Å²	149.8	90%	0.897	82%	0.823	S	S	*	*			trans	-116	119.9	145.6	48.9	167.4	0	0	0	108.7
6	E	55.3	Low	50.6	Low	187 Å²	187	144.2 Å²	144.2	87%	0.874	81%	0.81	S	S	*	*			trans	-71.6	138.1	175.6	-61	178.1	123.8	0	0	110.4
7	E	51.7	Low	51.2	Low	182 Å²	182	143.4 Å²	143.4	85%	0.85	80%	0.799	S	S	*	*			trans	-149.2	85.9	141.3	-141.9	-154.8	147.7	0	0	109.9
8	N	47.2	Very low	51.8	Low	168 Å²	168	142.6 Å²	142.6	90%	0.898	79%	0.792	S	S	*	*			trans	-92.9	90.5	156.6	-82.3	-57.6	0	0	0	106.8
9	G	51	Low	52.9	Low	49 Å²	49	139.5 Å²	139.5	51%	0.505	78%	0.781	S	S	.	*			trans	-59.4	144.4	171.1	0	0	0	0	0	110.9	S11	G9-S11 PolarHBondContact O-N 3.17Å
10	P	49.1	Very low	54	Low	117 Å²	117	135.6 Å²	135.6	76%	0.76	76%	0.763	S	S	*	*			trans	-69.6	123.7	-179.4	28.4	-30.9	0	0	0	109	T12	P10-T12 PolarHBondContact O-N 3.08Å
11	S	49.8	Very low	55	Low	115 Å²	115	136.4 Å²	136.4	80%	0.804	76%	0.756	S	S	*	*			trans	-49.1	105.9	172.8	38.4	0	0	0	0	111.4	G9 H13	G9-S11 PolarHBondContact O-N 3.17Å; S11-H13 VanDerWaalsContact C-N 3.26Å; S11-H13 PolarHBondContact O-N 3.21Å
12	T	53.2	Low	56.3	Low	122 Å²	122	128.3 Å²	128.3	75%	0.748	72%	0.724	S	S	*	*			trans	-80.1	63.2	179.1	53.9	0	0	0	0	111.4	P10	P10-T12 PolarHBondContact O-N 3.08Å
13	H	53.4	Low	58.8	Low	183 Å²	183	125.8 Å²	125.8	85%	0.847	70%	0.699	S	S	*	*			trans	-140	105.7	169.5	-74.6	-65.7	0	0	0	109.2	S11	S11-H13 VanDerWaalsContact C-N 3.26Å; S11-H13 PolarHBondContact O-N 3.21Å
14	G	52.5	Low	61	Low	48 Å²	48	128.9 Å²	128.9	50%	0.495	70%	0.697	S	S	.	*	S	Bend	trans	142.2	-15.7	166.1	0	0	0	0	0	117.7
15	R	55.1	Low	63.1	Low	239 Å²	239	123.1 Å²	123.1	90%	0.902	68%	0.677	S	S	*	*	H	α-helix	trans	-83.7	-25.1	-172.7	-151.7	175	-175.3	-150.6	1.2	114.8
16	G	58.1	Low	65	Low	60 Å²	60	121.6 Å²	121.6	62%	0.619	66%	0.66	S	S	*	*	H	α-helix	trans	-78.1	-36.9	-176.2	0	0	0	0	0	114.7	S20	G16-S20 PolarHBondContact O-N 2.8Å
17	E	60	Low	67	Low	130 Å²	130	118.2 Å²	118.2	61%	0.607	64%	0.644	S	S	*	*	H	α-helix	trans	-74.8	-41.9	-176.4	-73.2	-166.4	113.9	0	0	113	S19 S20 Y21	E17-S19 PolarHBondContact O-N 3.06Å; E17-S20 PolarHBondContact O-N 2.87Å; E17-S20 PolarHBondContact O-OG 2.85Å; E17-Y21 HydrophobicContact CB-CE2 4.27Å; E17-Y21 WeakPolarHBondContact O-CD2 3.39Å; E17-Y21 PolarHBondContact O-N 3.44Å; E17-Y21 VanDerWaalsContact O-N 3.07Å
18	L	62.7	Low	69	Low	130 Å²	130	116.4 Å²	116.4	68%	0.681	63%	0.633	S	S	*	*	H	α-helix	trans	-58.6	-36.7	176.6	-83.3	153.6	0	0	0	112.5	S20 S22	L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.4Å; L18-S22 PolarHBondContact O-N 2.89Å; L18-S22 VanDerWaalsContact O-N 3.08Å
19	S	72.5	Confident	71.3	Confident	84 Å²	84	112.4 Å²	112.4	59%	0.587	61%	0.611	S	S	*	*	H	α-helix	trans	-65.6	-35.6	176.4	-172.9	0	0	0	0	112.5	E17 S23	E17-S19 PolarHBondContact O-N 3.06Å; S19-S23 PolarHBondContact O-N 3.1Å; S19-S23 VanDerWaalsContact O-N 3.17Å; S19-S23 PolarHBondContact O-OG 3.08Å
20	S	75.8	Confident	73.4	Confident	60 Å²	60	113.8 Å²	113.8	42%	0.42	61%	0.605	S	S	.	*	H	α-helix	trans	-78	-33.7	-179.7	71.2	0	0	0	0	112.2	G16 E17 L18 S23 R24	G16-S20 PolarHBondContact O-N 2.8Å; E17-S20 PolarHBondContact O-N 2.87Å; E17-S20 PolarHBondContact O-OG 2.85Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.4Å; S20-S23 WeakPolarHBondContact CA-OG 3.39Å; S20-S23 PolarHBondContact O-N 2.83Å; S20-S23 PolarHBondContact O-OG 2.78Å; S20-R24 WeakPolarHBondContact O-CB 3.48Å; S20-R24 PolarHBondContact O-N 2.95Å
21	Y	74.9	Confident	75.6	Confident	154 Å²	154	111.5 Å²	111.5	60%	0.604	59%	0.592	S	S	*	*	H	α-helix	trans	-66.3	-45.1	171.8	-74	-68.9	0	0	0	112	E17 S23 R24 A25	E17-Y21 HydrophobicContact CB-CE2 4.27Å; E17-Y21 WeakPolarHBondContact O-CD2 3.39Å; E17-Y21 PolarHBondContact O-N 3.44Å; E17-Y21 VanDerWaalsContact O-N 3.07Å; Y21-S23 VanDerWaalsContact C-N 3.29Å; Y21-S23 PolarHBondContact O-N 3.37Å; Y21-R24 PolarHBondContact O-N 3.3Å; Y21-A25 VanDerWaalsContact O-CB 3.29Å; Y21-A25 WeakPolarHBondContact O-CB 3.38Å; Y21-A25 PolarHBondContact O-N 2.84Å
22	S	77.8	Confident	77.9	Confident	81 Å²	81	108 Å²	108	57%	0.566	56%	0.563	S	S	*	*	H	α-helix	trans	-60.7	-39.9	177	-174.3	0	0	0	0	111.5	L18 R26	L18-S22 PolarHBondContact O-N 2.89Å; L18-S22 VanDerWaalsContact O-N 3.08Å; S22-R26 VanDerWaalsContact O-CB 3.26Å; S22-R26 WeakPolarHBondContact O-CB 3.21Å; S22-R26 PolarHBondContact O-N 2.76Å
23	S	88	Confident	80	Confident	51 Å²	51	105.4 Å²	105.4	36%	0.357	55%	0.545	S	S	.	.	H	α-helix	trans	-69.3	-40.6	178.2	68	0	0	0	0	111.9	S19 S20 Y21 R26 Q27	S19-S23 PolarHBondContact O-N 3.1Å; S19-S23 VanDerWaalsContact O-N 3.17Å; S19-S23 PolarHBondContact O-OG 3.08Å; S20-S23 WeakPolarHBondContact CA-OG 3.39Å; S20-S23 PolarHBondContact O-N 2.83Å; S20-S23 PolarHBondContact O-OG 2.78Å; Y21-S23 VanDerWaalsContact C-N 3.29Å; Y21-S23 PolarHBondContact O-N 3.37Å; S23-R26 PolarHBondContact O-N 3.06Å; S23-Q27 WeakPolarHBondContact O-CB 3.4Å; S23-Q27 WeakPolarHBondContact O-CG 3.36Å; S23-Q27 PolarHBondContact O-N 3.04Å
24	R	93.5	Very high	82.1	Confident	195 Å²	195	102.2 Å²	102.2	74%	0.736	53%	0.534	S	S	*	.	H	α-helix	trans	-69.5	-38.3	177.5	-161.4	171.9	-171.4	-118.7	1.5	112.7	S20 Y21 K28	S20-R24 WeakPolarHBondContact O-CB 3.48Å; S20-R24 PolarHBondContact O-N 2.95Å; Y21-R24 PolarHBondContact O-N 3.3Å; R24-K28 WeakPolarHBondContact O-CB 3.45Å; R24-K28 PolarHBondContact O-N 3.13Å
25	A	91.3	Very high	84.2	Confident	55 Å²	55	102.2 Å²	102.2	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-43.5	173.7	0	0	0	0	0	111.3	Y21 K28 L29	Y21-A25 VanDerWaalsContact O-CB 3.29Å; Y21-A25 WeakPolarHBondContact O-CB 3.38Å; Y21-A25 PolarHBondContact O-N 2.84Å; A25-K28 WeakPolarHBondContact O-CB 3.33Å; A25-K28 PolarHBondContact O-N 2.84Å; A25-L29 PolarHBondContact O-N 3.09Å
26	R	93.1	Very high	86.2	Confident	144 Å²	144	93.3 Å²	93.3	54%	0.543	49%	0.491	S	S	.	.	H	α-helix	trans	-60.3	-50	174.7	-164.8	-173.7	93.7	76	11.3	111.4	S22 S23 K28 L29 E30	S22-R26 VanDerWaalsContact O-CB 3.26Å; S22-R26 WeakPolarHBondContact O-CB 3.21Å; S22-R26 PolarHBondContact O-N 2.76Å; S23-R26 PolarHBondContact O-N 3.06Å; R26-K28 VanDerWaalsContact C-N 3.26Å; R26-K28 PolarHBondContact O-N 3.05Å; R26-L29 PolarHBondContact O-N 2.85Å; R26-L29 VanDerWaalsContact O-N 3.12Å; R26-E30 IonicContact CZ-OE1 2.71Å; R26-E30 IonicContact CZ-OE2 3.65Å; R26-E30 IonicContact NE-OE2 2.95Å; R26-E30 VanDerWaalsContact NH1-CD 3.29Å; R26-E30 IonicContact NH1-OE1 2.71Å; R26-E30 PolarHBondContact NH1-OE1 3.21Å; R26-E30 IonicContact NH1-OE2 2.91Å; R26-E30 IonicContact NH2-OE1 3.33Å; R26-E30 PolarHBondContact NH2-OE1 2.97Å; R26-E30 IonicContact NH2-OE2 2.85Å; R26-E30 PolarHBondContact NH2-OE2 3.19Å; R26-E30 WeakPolarHBondContact O-CG 3.42Å; R26-E30 PolarHBondContact O-N 2.86Å
27	Q	96.2	Very high	88.1	Confident	115 Å²	115	90.7 Å²	90.7	54%	0.537	46%	0.463	S	S	.	.	H	α-helix	trans	-57.3	-39.8	176	-74.2	167.2	11.1	0	0	111.9	S23 E30 S31	S23-Q27 WeakPolarHBondContact O-CB 3.4Å; S23-Q27 WeakPolarHBondContact O-CG 3.36Å; S23-Q27 PolarHBondContact O-N 3.04Å; Q27-E30 PolarHBondContact O-N 2.79Å; Q27-S31 WeakPolarHBondContact O-CB 3.39Å; Q27-S31 PolarHBondContact O-N 2.78Å
28	K	94.1	Very high	89.9	Confident	145 Å²	145	89.9 Å²	89.9	63%	0.63	45%	0.454	S	S	*	.	H	α-helix	trans	-62.7	-48.7	175	-174.5	176.3	179	-178.2	0	111.2	R24 A25 R26 E30 S31 L32	R24-K28 WeakPolarHBondContact O-CB 3.45Å; R24-K28 PolarHBondContact O-N 3.13Å; A25-K28 WeakPolarHBondContact O-CB 3.33Å; A25-K28 PolarHBondContact O-N 2.84Å; R26-K28 VanDerWaalsContact C-N 3.26Å; R26-K28 PolarHBondContact O-N 3.05Å; K28-E30 VanDerWaalsContact C-N 3.33Å; K28-E30 PolarHBondContact O-N 2.84Å; K28-S31 PolarHBondContact O-N 3.05Å; K28-S31 PolarHBondContact O-OG 2.97Å; K28-L32 WeakPolarHBondContact O-CG 3.45Å; K28-L32 PolarHBondContact O-N 2.73Å
29	L	94.9	Very high	91.6	Very high	83 Å²	83	83.7 Å²	83.7	44%	0.435	42%	0.421	S	S	.	.	H	α-helix	trans	-61.8	-41.1	177	-70.6	174.8	0	0	0	112.2	A25 R26 S31 L32 L33 T54	A25-L29 PolarHBondContact O-N 3.09Å; R26-L29 PolarHBondContact O-N 2.85Å; R26-L29 VanDerWaalsContact O-N 3.12Å; L29-S31 VanDerWaalsContact C-N 3.31Å; L29-S31 PolarHBondContact O-N 2.87Å; L29-L32 WeakPolarHBondContact O-CB 3.49Å; L29-L32 PolarHBondContact O-N 3.49Å; L29-L32 VanDerWaalsContact O-N 3.11Å; L29-L33 PolarHBondContact O-N 2.93Å; L29-T54 HydrophobicContact CD1-CG2 4.38Å; L29-T54 HydrophobicContact CD2-CG2 4.13Å
30	E	95.9	Very high	92.8	Very high	78 Å²	78	84.1 Å²	84.1	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-60.1	-41.8	174.6	-72.6	179.6	134	0	0	111.9	R26 Q27 K28 L32 L33	R26-E30 IonicContact CZ-OE1 2.71Å; R26-E30 IonicContact CZ-OE2 3.65Å; R26-E30 IonicContact NE-OE2 2.95Å; R26-E30 VanDerWaalsContact NH1-CD 3.29Å; R26-E30 IonicContact NH1-OE1 2.71Å; R26-E30 PolarHBondContact NH1-OE1 3.21Å; R26-E30 IonicContact NH1-OE2 2.91Å; R26-E30 IonicContact NH2-OE1 3.33Å; R26-E30 PolarHBondContact NH2-OE1 2.97Å; R26-E30 IonicContact NH2-OE2 2.85Å; R26-E30 PolarHBondContact NH2-OE2 3.19Å; R26-E30 WeakPolarHBondContact O-CG 3.42Å; R26-E30 PolarHBondContact O-N 2.86Å; Q27-E30 PolarHBondContact O-N 2.79Å; K28-E30 VanDerWaalsContact C-N 3.33Å; K28-E30 PolarHBondContact O-N 2.84Å; E30-L32 PolarHBondContact O-N 2.86Å; E30-L32 VanDerWaalsContact O-N 3.15Å; E30-L33 WeakPolarHBondContact O-CB 3.39Å; E30-L33 PolarHBondContact O-N 2.92Å; E30-L33 VanDerWaalsContact O-N 3.13Å
31	S	95.6	Very high	93.8	Very high	70 Å²	70	82.6 Å²	82.6	49%	0.49	40%	0.397	S	S	.	.	H	α-helix	trans	-65.4	-15.8	177.6	76.3	0	0	0	0	114	Q27 K28 L29 K35	Q27-S31 WeakPolarHBondContact O-CB 3.39Å; Q27-S31 PolarHBondContact O-N 2.78Å; K28-S31 PolarHBondContact O-N 3.05Å; K28-S31 PolarHBondContact O-OG 2.97Å; L29-S31 VanDerWaalsContact C-N 3.31Å; L29-S31 PolarHBondContact O-N 2.87Å; S31-K35 WeakPolarHBondContact O-CD 3.45Å; S31-K35 WeakPolarHBondContact O-CE 3.36Å
32	L	96.7	Very high	94.9	Very high	40 Å²	40	79.1 Å²	79.1	21%	0.209	39%	0.392	C	S	.	.	H	α-helix	trans	-91.2	-17.3	177.7	-67.1	177.8	0	0	0	113	K28 L29 E30 K35 M37 F51 V98	K28-L32 WeakPolarHBondContact O-CG 3.45Å; K28-L32 PolarHBondContact O-N 2.73Å; L29-L32 WeakPolarHBondContact O-CB 3.49Å; L29-L32 PolarHBondContact O-N 3.49Å; L29-L32 VanDerWaalsContact O-N 3.11Å; E30-L32 PolarHBondContact O-N 2.86Å; E30-L32 VanDerWaalsContact O-N 3.15Å; L32-K35 WeakPolarHBondContact O-CB 2.91Å; L32-K35 PolarHBondContact O-N 3.34Å; L32-M37 HydrophobicContact CB-CE 3.62Å; L32-M37 HydrophobicContact CD1-CE 4.16Å; L32-M37 HydrophobicContact CD2-CE 4.2Å; L32-M37 HydrophobicContact CG-CE 4.2Å; L32-F51 HydrophobicContact CB-CD1 4.02Å; L32-F51 HydrophobicContact CB-CE1 4.11Å; L32-F51 WeakPolarHBondContact O-CD1 3.42Å; L32-V98 HydrophobicContact CD2-CG1 4.12Å; L32-V98 HydrophobicContact CD2-CG2 3.9Å
33	L	97.4	Very high	95.6	Very high	69 Å²	69	79.6 Å²	79.6	36%	0.361	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	141.6	-179.2	-65.4	175.6	0	0	0	111.3	L29 E30 K35 F51 L52	L29-L33 PolarHBondContact O-N 2.93Å; E30-L33 WeakPolarHBondContact O-CB 3.39Å; E30-L33 PolarHBondContact O-N 2.92Å; E30-L33 VanDerWaalsContact O-N 3.13Å; L33-K35 PolarHBondContact O-N 2.71Å; L33-K35 VanDerWaalsContact O-N 3.07Å; L33-F51 HydrophobicContact CD2-CD1 3.95Å; L33-F51 HydrophobicContact CD2-CE1 3.8Å; L33-L52 VanDerWaalsContact CD2-O 3.23Å; L33-L52 WeakPolarHBondContact CD2-O 3.46Å
34	N	97.1	Very high	95.8	Very high	115 Å²	115	78.1 Å²	78.1	62%	0.615	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	12.8	-177	-54.1	-59	0	0	0	114.7	F51	N34-F51 PolarHBondContact N-O 3Å
35	K	97.5	Very high	95.8	Very high	49 Å²	49	73.3 Å²	73.3	21%	0.213	36%	0.362	C	S	.	.			trans	-82.7	143.2	166.9	-65	-168.8	168.9	-71.6	0	109.6	S31 L32 L33 M37 F51 V98 D101	S31-K35 WeakPolarHBondContact O-CD 3.45Å; S31-K35 WeakPolarHBondContact O-CE 3.36Å; L32-K35 WeakPolarHBondContact O-CB 2.91Å; L32-K35 PolarHBondContact O-N 3.34Å; L33-K35 PolarHBondContact O-N 2.71Å; L33-K35 VanDerWaalsContact O-N 3.07Å; K35-M37 PolarHBondContact O-N 3.26Å; K35-F51 PolarHBondContact O-N 3.38Å; K35-V98 HydrophobicContact CB-CG1 3.83Å; K35-V98 HydrophobicContact CD-CG1 3.74Å; K35-V98 HydrophobicContact CG-CG1 4.43Å; K35-D101 IonicContact NZ-OD1 2.73Å; K35-D101 PolarHBondContact NZ-OD1 3.42Å; K35-D101 IonicContact NZ-OD2 3.74Å; K35-D101 PolarHBondContact NZ-OD2 3.25Å
36	N	97.6	Very high	96.1	Very high	52 Å²	52	71.7 Å²	71.7	28%	0.278	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.3	172	-161.3	32.1	0	0	0	108.9	G49 E99	N36-G49 WeakPolarHBondContact CA-O 3.49Å; N36-G49 VanDerWaalsContact OD1-C 3.27Å; N36-G49 WeakPolarHBondContact OD1-CA 3.37Å; N36-G49 PolarHBondContact OD1-O 2.77Å; N36-E99 HydrophobicContact CB-CB 4.01Å; N36-E99 WeakPolarHBondContact CB-OE2 3.27Å; N36-E99 PolarHBondContact ND2-OE2 3.33Å; N36-E99 PolarHBondContact O-N 3.07Å
37	M	98.1	Very high	96.3	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.025	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.9	-178.9	-71.1	-166.7	-176.5	0	0	110.6	L32 K35 V48 G49 F51 L62 I96 E97 V98	L32-M37 HydrophobicContact CB-CE 3.62Å; L32-M37 HydrophobicContact CD1-CE 4.16Å; L32-M37 HydrophobicContact CD2-CE 4.2Å; L32-M37 HydrophobicContact CG-CE 4.2Å; K35-M37 PolarHBondContact O-N 3.26Å; M37-V48 VanDerWaalsContact O-CA 3.28Å; M37-V48 WeakPolarHBondContact O-CA 3.43Å; M37-G49 PolarHBondContact N-O 2.96Å; M37-G49 PolarHBondContact O-N 3.41Å; M37-F51 HydrophobicContact CE-CB 3.52Å; M37-F51 HydrophobicContact CE-CD1 3.53Å; M37-F51 HydrophobicContact CE-CD2 3.99Å; M37-F51 HydrophobicContact CE-CE1 4.2Å; M37-F51 HydrophobicContact CE-CG 3.4Å; M37-F51 HydrophobicContact CG-CB 3.87Å; M37-F51 HydrophobicContact SD-CB 3.54Å; M37-F51 VanDerWaalsContact SD-CB 3.54Å; M37-F51 HydrophobicContact SD-CD1 4.36Å; M37-F51 HydrophobicContact SD-CD2 3.75Å; M37-F51 HydrophobicContact SD-CG 3.63Å; M37-L62 HydrophobicContact CB-CD2 4.48Å; M37-I96 HydrophobicContact CB-CG2 4.28Å; M37-I96 HydrophobicContact CG-CG2 4.19Å; M37-I96 HydrophobicContact SD-CG2 3.45Å; M37-I96 WeakPolarHBondContact SD-CG2 3.26Å; M37-E97 CarbonylContact C-O 3.54Å; M37-E97 VanDerWaalsContact CA-O 3.26Å; M37-E97 WeakPolarHBondContact CA-O 3.23Å; M37-V98 HydrophobicContact CE-CG2 4.01Å; M37-V98 HydrophobicContact CG-CG2 4.26Å; M37-V98 HydrophobicContact SD-CG2 4.5Å
38	R	97.9	Very high	96.4	Very high	112 Å²	112	61.4 Å²	61.4	42%	0.423	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.9	168.2	175	-174.7	174.6	168.4	4.2	109.1	T46 L47 V48 I96 E97	R38-T46 HydrophobicContact CG-CG2 3.56Å; R38-L47 CarbonylContact C-O 3.58Å; R38-L47 WeakPolarHBondContact CA-O 3.26Å; R38-V48 HydrophobicContact CB-CG2 4.17Å; R38-V48 HydrophobicContact CG-CG2 4.14Å; R38-I96 WeakPolarHBondContact O-CA 3.35Å; R38-E97 HydrophobicContact CB-CB 4.25Å; R38-E97 PolarHBondContact N-O 2.89Å; R38-E97 PolarHBondContact O-N 2.83Å
39	I	98.3	Very high	96.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.1	-178.2	-56.8	-172.1	0	0	0	109.4	T46 L47 V60 L62 I88 V93 S95 I96	I39-T46 CarbonylContact O-C 3.55Å; I39-T46 WeakPolarHBondContact O-CA 3.09Å; I39-L47 PolarHBondContact N-O 3.32Å; I39-L47 PolarHBondContact O-N 2.84Å; I39-V60 HydrophobicContact CD1-CB 4.15Å; I39-V60 HydrophobicContact CD1-CG1 3.71Å; I39-V60 HydrophobicContact CD1-CG2 4.28Å; I39-L62 HydrophobicContact CD1-CD1 4.11Å; I39-L62 HydrophobicContact CD1-CD2 4.17Å; I39-L62 HydrophobicContact CD1-CG 4.33Å; I39-L62 HydrophobicContact CG1-CD1 4.44Å; I39-I88 HydrophobicContact CB-CD1 4.17Å; I39-I88 HydrophobicContact CD1-CD1 3.72Å; I39-I88 HydrophobicContact CG1-CD1 4.43Å; I39-I88 HydrophobicContact CG2-CD1 4.17Å; I39-I88 HydrophobicContact CG2-CG2 4.44Å; I39-V93 HydrophobicContact CG2-CG1 4.12Å; I39-V93 HydrophobicContact CG2-CG2 4.15Å; I39-S95 WeakPolarHBondContact CA-O 3.38Å; I39-I96 HydrophobicContact CD1-CD1 4.33Å; I39-I96 HydrophobicContact CD1-CG1 4.29Å; I39-I96 HydrophobicContact CG1-CG1 4.11Å; I39-I96 HydrophobicContact CG1-CG2 4.31Å
40	R	97.6	Very high	96.8	Very high	93 Å²	93	53.5 Å²	53.5	35%	0.351	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133	172.2	-60.1	-168.3	-50.2	-102	2	109.5	V94 S95 E97	R40-V94 HydrophobicContact CB-CB 4.32Å; R40-V94 WeakPolarHBondContact O-CB 3.43Å; R40-V94 PolarHBondContact O-N 2.76Å; R40-S95 PolarHBondContact N-O 2.98Å; R40-S95 PolarHBondContact NE-OG 3.48Å; R40-S95 VanDerWaalsContact NE-OG 3.1Å; R40-S95 PolarHBondContact NH1-OG 3.06Å; R40-S95 VanDerWaalsContact NH2-CB 3.34Å; R40-S95 PolarHBondContact NH2-OG 2.83Å; R40-E97 IonicContact NH1-OE1 2.8Å; R40-E97 PolarHBondContact NH1-OE1 2.92Å
41	M	97.1	Very high	96.9	Very high	28 Å²	28	50.2 Å²	50.2	14%	0.138	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	157.8	-179.8	-64.9	-173	68.2	0	0	112.4	D43 G44 R45 L47 I88 H92	M41-D43 WeakPolarHBondContact CB-OD1 3.41Å; M41-D43 PolarHBondContact O-N 2.83Å; M41-G44 PolarHBondContact O-N 2.8Å; M41-G44 VanDerWaalsContact O-N 3.13Å; M41-R45 HydrophobicContact CB-CB 4.46Å; M41-R45 PolarHBondContact N-O 3.44Å; M41-L47 HydrophobicContact CG-CD1 4.23Å; M41-L47 HydrophobicContact SD-CD1 3.49Å; M41-L47 WeakPolarHBondContact SD-CD1 3.28Å; M41-L47 HydrophobicContact SD-CD2 4.49Å; M41-I88 HydrophobicContact CE-CG2 4.16Å; M41-I88 HydrophobicContact CG-CG2 4.4Å; M41-I88 HydrophobicContact SD-CG2 4.27Å; M41-H92 CarbonylContact C-O 3.5Å; M41-H92 WeakPolarHBondContact CA-O 3.4Å; M41-H92 HydrophobicContact CE-CB 3.76Å
42	T	96.9	Very high	97	Very high	82 Å²	82	50 Å²	50	50%	0.503	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.3	179.8	51	0	0	0	0	113.9	G44 H92 V94	T42-G44 PolarHBondContact O-N 2.91Å; T42-H92 PolarHBondContact N-O 3.22Å; T42-H92 PolarHBondContact OG1-ND1 3.23Å; T42-V94 HydrophobicContact CG2-CG2 3.72Å
43	D	93.6	Very high	97.1	Very high	90 Å²	90	50.9 Å²	50.9	48%	0.481	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.8	178.1	74	-16.8	0	0	0	113.3	M41 R45	M41-D43 WeakPolarHBondContact CB-OD1 3.41Å; M41-D43 PolarHBondContact O-N 2.83Å; D43-R45 WeakPolarHBondContact OD1-CB 3.48Å; D43-R45 WeakPolarHBondContact OD1-CG 3.11Å; D43-R45 PolarHBondContact OD1-N 2.84Å; D43-R45 VanDerWaalsContact OD1-N 3.09Å; D43-R45 WeakPolarHBondContact OD2-CD 3.45Å; D43-R45 IonicContact OD2-CZ 3.93Å; D43-R45 IonicContact OD2-NE 2.62Å; D43-R45 PolarHBondContact OD2-NE 3.21Å; D43-R45 IonicContact OD2-NH2 3.73Å
44	G	91.8	Very high	97.1	Very high	20 Å²	20	50 Å²	50	21%	0.206	26%	0.257	C	S	.	.	S	Bend	trans	94.4	-9.4	178.5	0	0	0	0	0	114.4	M41 T42 K70	M41-G44 PolarHBondContact O-N 2.8Å; M41-G44 VanDerWaalsContact O-N 3.13Å; T42-G44 PolarHBondContact O-N 2.91Å; G44-K70 WeakPolarHBondContact O-CB 3.21Å
45	R	93.9	Very high	97.1	Very high	94 Å²	94	48.3 Å²	48.3	36%	0.355	25%	0.248	S	C	.	.			trans	-68.9	151.8	177	-58.7	-173.1	-147.5	-169.6	-3.7	111.6	M41 D43 L47 E67 F68 L69	M41-R45 HydrophobicContact CB-CB 4.46Å; M41-R45 PolarHBondContact N-O 3.44Å; D43-R45 WeakPolarHBondContact OD1-CB 3.48Å; D43-R45 WeakPolarHBondContact OD1-CG 3.11Å; D43-R45 PolarHBondContact OD1-N 2.84Å; D43-R45 VanDerWaalsContact OD1-N 3.09Å; D43-R45 WeakPolarHBondContact OD2-CD 3.45Å; D43-R45 IonicContact OD2-CZ 3.93Å; D43-R45 IonicContact OD2-NE 2.62Å; D43-R45 PolarHBondContact OD2-NE 3.21Å; D43-R45 IonicContact OD2-NH2 3.73Å; R45-L47 HydrophobicContact CB-CD1 4.15Å; R45-E67 WeakPolarHBondContact CD-OE1 3.33Å; R45-E67 IonicContact CZ-OE1 3.48Å; R45-E67 IonicContact NE-OE1 3.58Å; R45-E67 IonicContact NH1-OE1 2.76Å; R45-E67 PolarHBondContact NH1-OE1 2.71Å; R45-E67 IonicContact NH1-OE2 3.62Å; R45-F68 WeakPolarHBondContact CA-O 3.41Å; R45-L69 HydrophobicContact CG-CD2 4.32Å
46	T	96.5	Very high	97	Very high	22 Å²	22	57.3 Å²	57.3	14%	0.135	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.9	168.4	-63.7	0	0	0	0	108.3	R38 I39 V48 F68	R38-T46 HydrophobicContact CG-CG2 3.56Å; I39-T46 CarbonylContact O-C 3.55Å; I39-T46 WeakPolarHBondContact O-CA 3.09Å; T46-V48 HydrophobicContact CG2-CG2 4.36Å; T46-F68 PolarHBondContact N-O 3.26Å; T46-F68 PolarHBondContact O-N 2.85Å
47	L	97.9	Very high	97	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.7	172.8	-79.9	70.7	0	0	0	109.6	R38 I39 M41 R45 L62 Q66 E67 L83 A86 I88	R38-L47 CarbonylContact C-O 3.58Å; R38-L47 WeakPolarHBondContact CA-O 3.26Å; I39-L47 PolarHBondContact N-O 3.32Å; I39-L47 PolarHBondContact O-N 2.84Å; M41-L47 HydrophobicContact CG-CD1 4.23Å; M41-L47 HydrophobicContact SD-CD1 3.49Å; M41-L47 WeakPolarHBondContact SD-CD1 3.28Å; M41-L47 HydrophobicContact SD-CD2 4.49Å; R45-L47 HydrophobicContact CB-CD1 4.15Å; L47-L62 HydrophobicContact CB-CD1 4.07Å; L47-Q66 CarbonylContact C-O 3.59Å; L47-Q66 VanDerWaalsContact CA-O 3.27Å; L47-Q66 WeakPolarHBondContact CA-O 3.36Å; L47-E67 HydrophobicContact CD1-CB 4.49Å; L47-E67 HydrophobicContact CD1-CG 4.19Å; L47-E67 HydrophobicContact CG-CB 4.39Å; L47-L83 HydrophobicContact CD2-CD1 4.24Å; L47-A86 HydrophobicContact CD2-CB 4.13Å; L47-I88 HydrophobicContact CB-CD1 4.12Å; L47-I88 HydrophobicContact CD2-CD1 3.79Å; L47-I88 HydrophobicContact CD2-CG1 3.79Å
48	V	97.9	Very high	96.9	Very high	35 Å²	35	63.7 Å²	63.7	21%	0.212	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.2	174.3	-177.8	0	0	0	0	108.7	M37 R38 T46 A65 Q66 F68	M37-V48 VanDerWaalsContact O-CA 3.28Å; M37-V48 WeakPolarHBondContact O-CA 3.43Å; R38-V48 HydrophobicContact CB-CG2 4.17Å; R38-V48 HydrophobicContact CG-CG2 4.14Å; T46-V48 HydrophobicContact CG2-CG2 4.36Å; V48-A65 CarbonylContact O-C 3.51Å; V48-A65 WeakPolarHBondContact O-CA 3.29Å; V48-Q66 PolarHBondContact N-O 2.72Å; V48-Q66 PolarHBondContact O-N 3.42Å; V48-F68 HydrophobicContact CB-CE2 4.14Å; V48-F68 HydrophobicContact CG2-CD2 4.22Å; V48-F68 HydrophobicContact CG2-CE2 3.83Å
49	G	98.2	Very high	97	Very high	2 Å²	2	60.2 Å²	60.2	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175	179.4	177.3	0	0	0	0	0	113.3	N36 M37 G63	N36-G49 WeakPolarHBondContact CA-O 3.49Å; N36-G49 VanDerWaalsContact OD1-C 3.27Å; N36-G49 WeakPolarHBondContact OD1-CA 3.37Å; N36-G49 PolarHBondContact OD1-O 2.77Å; M37-G49 PolarHBondContact N-O 2.96Å; M37-G49 PolarHBondContact O-N 3.41Å; G49-G63 CarbonylContact C-O 3.56Å; G49-G63 WeakPolarHBondContact CA-O 3.41Å
50	L	98.4	Very high	97	Very high	61 Å²	61	60.3 Å²	60.3	32%	0.319	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.8	-179.7	-62.7	173.7	0	0	0	110.8	L52 L62 G63	L50-L52 HydrophobicContact CB-CD2 4.32Å; L50-L52 PolarHBondContact O-N 3.27Å; L50-L62 CarbonylContact O-C 3.35Å; L50-L62 VanDerWaalsContact O-CA 3.26Å; L50-L62 WeakPolarHBondContact O-CA 3.49Å; L50-G63 PolarHBondContact N-O 3.49Å; L50-G63 PolarHBondContact O-N 3.4Å
51	F	98.5	Very high	97.1	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.035	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	112.1	175.7	179.2	-114.4	0	0	0	111.6	L32 L33 N34 K35 M37 C53 T54 V60 L62	L32-F51 HydrophobicContact CB-CD1 4.02Å; L32-F51 HydrophobicContact CB-CE1 4.11Å; L32-F51 WeakPolarHBondContact O-CD1 3.42Å; L33-F51 HydrophobicContact CD2-CD1 3.95Å; L33-F51 HydrophobicContact CD2-CE1 3.8Å; N34-F51 PolarHBondContact N-O 3Å; K35-F51 PolarHBondContact O-N 3.38Å; M37-F51 HydrophobicContact CE-CB 3.52Å; M37-F51 HydrophobicContact CE-CD1 3.53Å; M37-F51 HydrophobicContact CE-CD2 3.99Å; M37-F51 HydrophobicContact CE-CE1 4.2Å; M37-F51 HydrophobicContact CE-CG 3.4Å; M37-F51 HydrophobicContact CG-CB 3.87Å; M37-F51 HydrophobicContact SD-CB 3.54Å; M37-F51 VanDerWaalsContact SD-CB 3.54Å; M37-F51 HydrophobicContact SD-CD1 4.36Å; M37-F51 HydrophobicContact SD-CD2 3.75Å; M37-F51 HydrophobicContact SD-CG 3.63Å; F51-C53 VanDerWaalsContact CE2-O 3.26Å; F51-C53 WeakPolarHBondContact CE2-O 3.37Å; F51-T54 HydrophobicContact CE2-CG2 4.43Å; F51-T54 HydrophobicContact CZ-CG2 3.77Å; F51-V60 HydrophobicContact CD2-CG1 3.67Å; F51-V60 HydrophobicContact CE2-CG1 3.82Å; F51-V60 HydrophobicContact CE2-CG2 4.36Å; F51-L62 HydrophobicContact CB-CD2 4.48Å
52	L	98.5	Very high	97.1	Very high	66 Å²	66	56.9 Å²	56.9	35%	0.346	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-39.2	-176.2	-60.4	-174	0	0	0	112.9	L33 L50 I61 L85	L33-L52 VanDerWaalsContact CD2-O 3.23Å; L33-L52 WeakPolarHBondContact CD2-O 3.46Å; L50-L52 HydrophobicContact CB-CD2 4.32Å; L50-L52 PolarHBondContact O-N 3.27Å; L52-I61 HydrophobicContact CB-CB 4.45Å; L52-I61 HydrophobicContact CB-CG2 4.25Å; L52-I61 HydrophobicContact CD1-CG2 4.23Å; L52-I61 PolarHBondContact N-O 3.3Å; L52-L85 HydrophobicContact CD1-CD1 3.89Å
53	C	98.2	Very high	97.2	Very high	59 Å²	59	53.3 Å²	53.3	40%	0.399	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	168.7	174.8	63.9	0	0	0	0	112.1	F51 I61	F51-C53 VanDerWaalsContact CE2-O 3.26Å; F51-C53 WeakPolarHBondContact CE2-O 3.37Å; C53-I61 PolarHBondContact O-N 2.72Å; C53-I61 VanDerWaalsContact O-N 3.09Å; C53-I61 WeakPolarHBondContact SG-CG1 3.38Å
54	T	98.3	Very high	97.4	Very high	51 Å²	51	53.1 Å²	53.1	31%	0.313	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	168.6	168	-166.3	0	0	0	0	110.5	L29 F51 N59	L29-T54 HydrophobicContact CD1-CG2 4.38Å; L29-T54 HydrophobicContact CD2-CG2 4.13Å; F51-T54 HydrophobicContact CE2-CG2 4.43Å; F51-T54 HydrophobicContact CZ-CG2 3.77Å; T54-N59 WeakPolarHBondContact CA-O 3.35Å; T54-N59 WeakPolarHBondContact CB-O 3.17Å; T54-N59 PolarHBondContact OG1-O 3.03Å
55	D	96.9	Very high	97.7	Very high	79 Å²	79	52.2 Å²	52.2	42%	0.422	28%	0.275	S	S	.	.			trans	-126.7	-169.5	175.8	67.3	16	0	0	0	111.9	D57 C58 N59	D55-D57 VanDerWaalsContact C-N 3.28Å; D55-D57 PolarHBondContact O-N 3.06Å; D55-D57 PolarHBondContact OD1-N 3.46Å; D55-C58 PolarHBondContact O-N 3.25Å; D55-C58 PolarHBondContact OD1-N 2.85Å; D55-N59 PolarHBondContact N-O 2.95Å; D55-N59 WeakPolarHBondContact OD1-CB 3.5Å; D55-N59 PolarHBondContact OD1-N 3.38Å; D55-N59 PolarHBondContact OD1-ND2 2.78Å; D55-N59 WeakPolarHBondContact OD2-CB 3.43Å; D55-N59 PolarHBondContact OD2-ND2 3.08Å
56	R	95.5	Very high	97.9	Very high	237 Å²	237	51.2 Å²	51.2	89%	0.894	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.4	-179.3	178.8	179	176.4	170.4	-0.3	113.2	C58	R56-C58 PolarHBondContact O-N 3.07Å
57	D	97.4	Very high	97.9	Very high	113 Å²	113	51.2 Å²	51.2	60%	0.604	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	12.1	-176.1	-61.4	-32.4	0	0	0	111.5	D55 N59 G90	D55-D57 VanDerWaalsContact C-N 3.28Å; D55-D57 PolarHBondContact O-N 3.06Å; D55-D57 PolarHBondContact OD1-N 3.46Å; D57-N59 PolarHBondContact O-N 3.5Å; D57-G90 WeakPolarHBondContact O-CA 3.18Å
58	C	96.6	Very high	97.7	Very high	79 Å²	79	54.2 Å²	54.2	53%	0.534	29%	0.286	S	S	.	.			trans	59.9	24.4	-176.3	-56.7	0	0	0	0	112.9	D55 R56 G90	D55-C58 PolarHBondContact O-N 3.25Å; D55-C58 PolarHBondContact OD1-N 2.85Å; R56-C58 PolarHBondContact O-N 3.07Å; C58-G90 WeakPolarHBondContact O-CA 3.39Å
59	N	98.6	Very high	97.3	Very high	38 Å²	38	58.5 Å²	58.5	20%	0.203	31%	0.307	C	S	.	.			trans	-63.3	141.7	167.4	-58.6	-46.1	0	0	0	108.2	T54 D55 D57 I88 P89 G90	T54-N59 WeakPolarHBondContact CA-O 3.35Å; T54-N59 WeakPolarHBondContact CB-O 3.17Å; T54-N59 PolarHBondContact OG1-O 3.03Å; D55-N59 PolarHBondContact N-O 2.95Å; D55-N59 WeakPolarHBondContact OD1-CB 3.5Å; D55-N59 PolarHBondContact OD1-N 3.38Å; D55-N59 PolarHBondContact OD1-ND2 2.78Å; D55-N59 WeakPolarHBondContact OD2-CB 3.43Å; D55-N59 PolarHBondContact OD2-ND2 3.08Å; D57-N59 PolarHBondContact O-N 3.5Å; N59-I88 WeakPolarHBondContact CA-O 3.43Å; N59-P89 WeakPolarHBondContact OD1-CA 3.35Å; N59-G90 PolarHBondContact OD1-N 3.46Å
60	V	98.7	Very high	96.2	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.6	-177.1	177.4	0	0	0	0	110.1	I39 F51 L62 M87 I88 I96	I39-V60 HydrophobicContact CD1-CB 4.15Å; I39-V60 HydrophobicContact CD1-CG1 3.71Å; I39-V60 HydrophobicContact CD1-CG2 4.28Å; F51-V60 HydrophobicContact CD2-CG1 3.67Å; F51-V60 HydrophobicContact CE2-CG1 3.82Å; F51-V60 HydrophobicContact CE2-CG2 4.36Å; V60-L62 HydrophobicContact CG1-CD2 3.83Å; V60-L62 HydrophobicContact CG1-CG 4.13Å; V60-M87 CarbonylContact O-C 3.56Å; V60-M87 WeakPolarHBondContact O-CA 3.14Å; V60-I88 HydrophobicContact CB-CB 4.4Å; V60-I88 PolarHBondContact N-O 3.43Å; V60-I88 PolarHBondContact O-N 3.15Å; V60-I96 HydrophobicContact CG2-CD1 4.37Å
61	I	98.7	Very high	94.6	Very high	48 Å²	48	65.2 Å²	65.2	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.1	167.4	-55.5	-58.5	0	0	0	109.2	L52 C53 L85 A86 M87	L52-I61 HydrophobicContact CB-CB 4.45Å; L52-I61 HydrophobicContact CB-CG2 4.25Å; L52-I61 HydrophobicContact CD1-CG2 4.23Å; L52-I61 PolarHBondContact N-O 3.3Å; C53-I61 PolarHBondContact O-N 2.72Å; C53-I61 VanDerWaalsContact O-N 3.09Å; C53-I61 WeakPolarHBondContact SG-CG1 3.38Å; I61-L85 HydrophobicContact CG2-CD1 3.63Å; I61-L85 HydrophobicContact CG2-CG 4.39Å; I61-A86 WeakPolarHBondContact CA-O 3.26Å; I61-M87 HydrophobicContact CD1-CB 3.67Å; I61-M87 HydrophobicContact CD1-CG 3.69Å
62	L	98.8	Very high	92.8	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.2	172.5	-64.1	-174.1	0	0	0	111.2	M37 I39 L47 L50 F51 V60 A65 L85 A86 I88	M37-L62 HydrophobicContact CB-CD2 4.48Å; I39-L62 HydrophobicContact CD1-CD1 4.11Å; I39-L62 HydrophobicContact CD1-CD2 4.17Å; I39-L62 HydrophobicContact CD1-CG 4.33Å; I39-L62 HydrophobicContact CG1-CD1 4.44Å; L47-L62 HydrophobicContact CB-CD1 4.07Å; L50-L62 CarbonylContact O-C 3.35Å; L50-L62 VanDerWaalsContact O-CA 3.26Å; L50-L62 WeakPolarHBondContact O-CA 3.49Å; F51-L62 HydrophobicContact CB-CD2 4.48Å; V60-L62 HydrophobicContact CG1-CD2 3.83Å; V60-L62 HydrophobicContact CG1-CG 4.13Å; L62-A65 HydrophobicContact CB-CB 3.94Å; L62-L85 WeakPolarHBondContact O-CA 3.4Å; L62-A86 PolarHBondContact N-O 3.13Å; L62-A86 PolarHBondContact O-N 3.01Å; L62-I88 HydrophobicContact CD1-CD1 3.7Å; L62-I88 HydrophobicContact CG-CD1 4.01Å
63	G	98.6	Very high	90.7	Very high	8 Å²	8	71.8 Å²	71.8	8%	0.082	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	158.7	167.4	0	0	0	0	0	112.1	G49 L50 A65 G84	G49-G63 CarbonylContact C-O 3.56Å; G49-G63 WeakPolarHBondContact CA-O 3.41Å; L50-G63 PolarHBondContact N-O 3.49Å; L50-G63 PolarHBondContact O-N 3.4Å; G63-A65 PolarHBondContact O-N 2.84Å; G63-G84 CarbonylContact C-O 3.52Å
64	S	98.2	Very high	88.7	Confident	86 Å²	86	75 Å²	75	60%	0.601	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	45.9	34.6	-172.3	-58.1	0	0	0	0	113.5	G84	S64-G84 CarbonylContact C-O 3.56Å; S64-G84 VanDerWaalsContact CA-O 3.26Å; S64-G84 WeakPolarHBondContact CA-O 3.35Å; S64-G84 PolarHBondContact N-O 3.22Å
65	A	98.4	Very high	86.6	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	141.8	-167.1	0	0	0	0	0	112.4	V48 L62 G63 L83 G84 A86	V48-A65 CarbonylContact O-C 3.51Å; V48-A65 WeakPolarHBondContact O-CA 3.29Å; L62-A65 HydrophobicContact CB-CB 3.94Å; G63-A65 PolarHBondContact O-N 2.84Å; A65-L83 HydrophobicContact CB-CB 4.28Å; A65-L83 PolarHBondContact O-N 2.89Å; A65-G84 PolarHBondContact N-O 2.92Å; A65-G84 PolarHBondContact O-N 2.91Å; A65-A86 HydrophobicContact CB-CB 3.75Å
66	Q	98	Very high	84.6	Confident	73 Å²	73	82.2 Å²	82.2	34%	0.341	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.7	173.3	-63.6	179.4	19.6	0	0	109.8	L47 V48 F68 P80 R81	L47-Q66 CarbonylContact C-O 3.59Å; L47-Q66 VanDerWaalsContact CA-O 3.27Å; L47-Q66 WeakPolarHBondContact CA-O 3.36Å; V48-Q66 PolarHBondContact N-O 2.72Å; V48-Q66 PolarHBondContact O-N 3.42Å; Q66-F68 HydrophobicContact CB-CE2 4Å; Q66-P80 HydrophobicContact CB-CB 4.18Å; Q66-R81 CarbonylContact C-O 3.59Å; Q66-R81 WeakPolarHBondContact CA-O 3.47Å
67	E	96.1	Very high	83	Confident	23 Å²	23	78 Å²	78	11%	0.107	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.5	178.7	177.4	-176.4	-114.7	0	0	110.9	R45 L47 P80 R81 L83	R45-E67 WeakPolarHBondContact CD-OE1 3.33Å; R45-E67 IonicContact CZ-OE1 3.48Å; R45-E67 IonicContact NE-OE1 3.58Å; R45-E67 IonicContact NH1-OE1 2.76Å; R45-E67 PolarHBondContact NH1-OE1 2.71Å; R45-E67 IonicContact NH1-OE2 3.62Å; L47-E67 HydrophobicContact CD1-CB 4.49Å; L47-E67 HydrophobicContact CD1-CG 4.19Å; L47-E67 HydrophobicContact CG-CB 4.39Å; E67-P80 WeakPolarHBondContact O-CA 3.26Å; E67-R81 HydrophobicContact CB-CB 4.5Å; E67-R81 PolarHBondContact N-O 2.98Å; E67-R81 PolarHBondContact O-N 2.65Å; E67-L83 HydrophobicContact CB-CD1 3.98Å; E67-L83 HydrophobicContact CB-CG 4.28Å
68	F	94.2	Very high	81.7	Confident	69 Å²	69	75.3 Å²	75.3	30%	0.303	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.8	175.8	-59.5	-100.9	0	0	0	109	R45 T46 V48 Q66 P80	R45-F68 WeakPolarHBondContact CA-O 3.41Å; T46-F68 PolarHBondContact N-O 3.26Å; T46-F68 PolarHBondContact O-N 2.85Å; V48-F68 HydrophobicContact CB-CE2 4.14Å; V48-F68 HydrophobicContact CG2-CD2 4.22Å; V48-F68 HydrophobicContact CG2-CE2 3.83Å; Q66-F68 HydrophobicContact CB-CE2 4Å; F68-P80 HydrophobicContact CD1-CB 3.94Å; F68-P80 HydrophobicContact CD2-CB 4.39Å; F68-P80 HydrophobicContact CE1-CB 3.51Å; F68-P80 HydrophobicContact CE1-CG 3.74Å; F68-P80 HydrophobicContact CE2-CB 3.98Å; F68-P80 HydrophobicContact CG-CB 4.37Å; F68-P80 HydrophobicContact CZ-CB 3.52Å; F68-P80 HydrophobicContact CZ-CG 3.82Å
69	L	87.8	Confident	81.1	Confident	126 Å²	126	80.6 Å²	80.6	66%	0.66	44%	0.443	S	S	*	.			trans	-79.2	146.3	174.8	-70.2	156	0	0	0	109.9	R45 S71	R45-L69 HydrophobicContact CG-CD2 4.32Å; L69-S71 PolarHBondContact O-N 2.94Å; L69-S71 VanDerWaalsContact O-N 3.08Å
70	K	75.5	Confident	80.8	Confident	168 Å²	168	81.1 Å²	81.1	73%	0.73	45%	0.448	S	S	*	.			trans	-68.3	106.4	168.3	-154.7	174.1	179.6	-179	0	107.7	G44 S72	G44-K70 WeakPolarHBondContact O-CB 3.21Å; K70-S72 PolarHBondContact O-N 2.94Å
71	S	64.4	Low	80.6	Confident	35 Å²	35	89 Å²	89	25%	0.245	48%	0.478	C	S	.	.			trans	-60.8	121.4	174	-59.8	0	0	0	0	109.5	L69 D73 S76 Q77	L69-S71 PolarHBondContact O-N 2.94Å; L69-S71 VanDerWaalsContact O-N 3.08Å; S71-D73 WeakPolarHBondContact CB-O 3.44Å; S71-S76 VanDerWaalsContact OG-C 3.29Å; S71-S76 PolarHBondContact OG-O 2.95Å; S71-Q77 PolarHBondContact OG-N 2.91Å; S71-Q77 PolarHBondContact OG-NE2 2.95Å
72	S	61	Low	80.5	Confident	110 Å²	110	91.9 Å²	91.9	77%	0.769	50%	0.498	S	S	*	.	S	Bend	trans	-71.8	-24.2	164	52.3	0	0	0	0	111.4	K70	K70-S72 PolarHBondContact O-N 2.94Å
73	D	55.8	Low	80.5	Confident	102 Å²	102	94.9 Å²	94.9	55%	0.545	51%	0.513	S	S	.	.	S	Bend	trans	-126.2	124.9	-179.1	-69.7	-60.8	0	0	0	110.6	S71 F75 S76	S71-D73 WeakPolarHBondContact CB-O 3.44Å; D73-F75 PolarHBondContact O-N 3.12Å; D73-S76 PolarHBondContact O-N 2.85Å; D73-S76 VanDerWaalsContact O-N 3.08Å; D73-S76 PolarHBondContact O-OG 3.31Å
74	S	54.9	Low	80.5	Confident	128 Å²	128	96.1 Å²	96.1	90%	0.895	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-7.8	-177.1	-48.9	0	0	0	0	115
75	F	54.7	Low	80.5	Confident	214 Å²	214	97.8 Å²	97.8	94%	0.939	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.5	-179.2	-127.9	-93.7	0	0	0	114.1	D73	D73-F75 PolarHBondContact O-N 3.12Å
76	S	54.3	Low	80.5	Confident	66 Å²	66	98.4 Å²	98.4	46%	0.462	53%	0.533	S	S	.	.			trans	-127.7	51.5	-175.8	51.5	0	0	0	0	111.4	S71 D73 G78	S71-S76 VanDerWaalsContact OG-C 3.29Å; S71-S76 PolarHBondContact OG-O 2.95Å; D73-S76 PolarHBondContact O-N 2.85Å; D73-S76 VanDerWaalsContact O-N 3.08Å; D73-S76 PolarHBondContact O-OG 3.31Å; S76-G78 PolarHBondContact O-N 3.09Å
77	Q	63.1	Low	80.5	Confident	150 Å²	150	101.1 Å²	101.1	70%	0.701	55%	0.547	S	S	*	.			trans	-68.3	74.2	151.3	-67.9	-82.3	-64.4	0	0	106.3	S71	S71-Q77 PolarHBondContact OG-N 2.91Å; S71-Q77 PolarHBondContact OG-NE2 2.95Å
78	G	70.2	Confident	80.6	Confident	55 Å²	55	100 Å²	100	57%	0.567	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-62.3	161.7	178.8	0	0	0	0	0	111	S76	S76-G78 PolarHBondContact O-N 3.09Å
79	E	84.1	Confident	80.8	Confident	190 Å²	190	98.2 Å²	98.2	89%	0.888	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-56.8	142	175.7	-66.5	-166.7	155	0	0	111.2
80	P	92.1	Very high	81.3	Confident	49 Å²	49	92.8 Å²	92.8	32%	0.318	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-60.4	142	177.9	20.1	-28.6	0	0	0	111.9	Q66 E67 F68 V82	Q66-P80 HydrophobicContact CB-CB 4.18Å; E67-P80 WeakPolarHBondContact O-CA 3.26Å; F68-P80 HydrophobicContact CD1-CB 3.94Å; F68-P80 HydrophobicContact CD2-CB 4.39Å; F68-P80 HydrophobicContact CE1-CB 3.51Å; F68-P80 HydrophobicContact CE1-CG 3.74Å; F68-P80 HydrophobicContact CE2-CB 3.98Å; F68-P80 HydrophobicContact CG-CB 4.37Å; F68-P80 HydrophobicContact CZ-CB 3.52Å; F68-P80 HydrophobicContact CZ-CG 3.82Å; P80-V82 PolarHBondContact O-N 3.06Å
81	R	94.2	Very high	82.4	Confident	169 Å²	169	91.6 Å²	91.6	64%	0.638	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.5	170.7	-176.3	-179.8	179.1	171.7	1.4	109.4	Q66 E67 L83	Q66-R81 CarbonylContact C-O 3.59Å; Q66-R81 WeakPolarHBondContact CA-O 3.47Å; E67-R81 HydrophobicContact CB-CB 4.5Å; E67-R81 PolarHBondContact N-O 2.98Å; E67-R81 PolarHBondContact O-N 2.65Å; R81-L83 HydrophobicContact CG-CD2 4.13Å
82	V	96.9	Very high	84	Confident	109 Å²	109	93 Å²	93	66%	0.661	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.3	173	-176.8	0	0	0	0	109.9	P80	P80-V82 PolarHBondContact O-N 3.06Å
83	L	97.7	Very high	85.8	Confident	62 Å²	62	89.6 Å²	89.6	33%	0.325	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-29.3	177.4	-57.1	-176.6	0	0	0	112.5	L47 A65 E67 R81 L85 A86	L47-L83 HydrophobicContact CD2-CD1 4.24Å; A65-L83 HydrophobicContact CB-CB 4.28Å; A65-L83 PolarHBondContact O-N 2.89Å; E67-L83 HydrophobicContact CB-CD1 3.98Å; E67-L83 HydrophobicContact CB-CG 4.28Å; R81-L83 HydrophobicContact CG-CD2 4.13Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.44Å; L83-A86 HydrophobicContact CD1-CB 4.03Å
84	G	98.1	Very high	87.8	Confident	34 Å²	34	88.8 Å²	88.8	35%	0.351	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.5	-76	-174.2	0	0	0	0	0	111.5	G63 S64 A65	G63-G84 CarbonylContact C-O 3.52Å; S64-G84 CarbonylContact C-O 3.56Å; S64-G84 VanDerWaalsContact CA-O 3.26Å; S64-G84 WeakPolarHBondContact CA-O 3.35Å; S64-G84 PolarHBondContact N-O 3.22Å; A65-G84 PolarHBondContact N-O 2.92Å; A65-G84 PolarHBondContact O-N 2.91Å
85	L	98.4	Very high	89.9	Confident	121 Å²	121	83.8 Å²	83.8	63%	0.634	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.2	176.6	-173.3	72.4	0	0	0	109.7	L52 I61 L62 L83	L52-L85 HydrophobicContact CD1-CD1 3.89Å; I61-L85 HydrophobicContact CG2-CD1 3.63Å; I61-L85 HydrophobicContact CG2-CG 4.39Å; L62-L85 WeakPolarHBondContact O-CA 3.4Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.44Å
86	A	98.2	Very high	91.9	Very high	13 Å²	13	77.3 Å²	77.3	11%	0.107	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.5	-178.3	0	0	0	0	0	112	L47 I61 L62 A65 L83	L47-A86 HydrophobicContact CD2-CB 4.13Å; I61-A86 WeakPolarHBondContact CA-O 3.26Å; L62-A86 PolarHBondContact N-O 3.13Å; L62-A86 PolarHBondContact O-N 3.01Å; A65-A86 HydrophobicContact CB-CB 3.75Å; L83-A86 HydrophobicContact CD1-CB 4.03Å
87	M	98.3	Very high	94	Very high	130 Å²	130	78 Å²	78	64%	0.64	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.9	167.4	-177.3	-174.2	92.2	0	0	109.3	V60 I61 P89	V60-M87 CarbonylContact O-C 3.56Å; V60-M87 WeakPolarHBondContact O-CA 3.14Å; I61-M87 HydrophobicContact CD1-CB 3.67Å; I61-M87 HydrophobicContact CD1-CG 3.69Å; M87-P89 HydrophobicContact CE-CG 4.41Å
88	I	98.6	Very high	95.6	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.005	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.6	176.7	-59.1	159.2	0	0	0	107.7	I39 M41 L47 N59 V60 L62 G90 V93	I39-I88 HydrophobicContact CB-CD1 4.17Å; I39-I88 HydrophobicContact CD1-CD1 3.72Å; I39-I88 HydrophobicContact CG1-CD1 4.43Å; I39-I88 HydrophobicContact CG2-CD1 4.17Å; I39-I88 HydrophobicContact CG2-CG2 4.44Å; M41-I88 HydrophobicContact CE-CG2 4.16Å; M41-I88 HydrophobicContact CG-CG2 4.4Å; M41-I88 HydrophobicContact SD-CG2 4.27Å; L47-I88 HydrophobicContact CB-CD1 4.12Å; L47-I88 HydrophobicContact CD2-CD1 3.79Å; L47-I88 HydrophobicContact CD2-CG1 3.79Å; N59-I88 WeakPolarHBondContact CA-O 3.43Å; V60-I88 HydrophobicContact CB-CB 4.4Å; V60-I88 PolarHBondContact N-O 3.43Å; V60-I88 PolarHBondContact O-N 3.15Å; L62-I88 HydrophobicContact CD1-CD1 3.7Å; L62-I88 HydrophobicContact CG-CD1 4.01Å; I88-G90 PolarHBondContact O-N 3.44Å; I88-V93 HydrophobicContact CG2-CG2 3.74Å
89	P	98.6	Very high	96.7	Very high	31 Å²	31	76.1 Å²	76.1	20%	0.201	40%	0.399	C	S	.	.			trans	-62.8	133.9	173.9	-22.4	33.8	0	0	0	111.2	N59 M87 H91 H92	N59-P89 WeakPolarHBondContact OD1-CA 3.35Å; M87-P89 HydrophobicContact CE-CG 4.41Å; P89-H91 VanDerWaalsContact C-N 3.26Å; P89-H91 WeakPolarHBondContact CB-CE1 3.26Å; P89-H91 PolarHBondContact O-N 3.42Å; P89-H92 PolarHBondContact O-N 3.2Å
90	G	98.5	Very high	96.9	Very high	11 Å²	11	71.5 Å²	71.5	11%	0.113	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-60.3	-32.6	-172.8	0	0	0	0	0	114.4	D57 C58 N59 I88 H92 V93	D57-G90 WeakPolarHBondContact O-CA 3.18Å; C58-G90 WeakPolarHBondContact O-CA 3.39Å; N59-G90 PolarHBondContact OD1-N 3.46Å; I88-G90 PolarHBondContact O-N 3.44Å; G90-H92 PolarHBondContact O-N 3.11Å; G90-V93 WeakPolarHBondContact O-CB 3.46Å; G90-V93 PolarHBondContact O-N 3.32Å
91	H	98.5	Very high	96.1	Very high	143 Å²	143	75.3 Å²	75.3	66%	0.662	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15	177	63.6	-96.9	0	0	0	114.1	P89	P89-H91 VanDerWaalsContact C-N 3.26Å; P89-H91 WeakPolarHBondContact CB-CE1 3.26Å; P89-H91 PolarHBondContact O-N 3.42Å
92	H	98.4	Very high	94.7	Very high	66 Å²	66	71.5 Å²	71.5	31%	0.306	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-92.9	-8.4	172.9	-71.6	-49.4	0	0	0	113	M41 T42 P89 G90 V94	M41-H92 CarbonylContact C-O 3.5Å; M41-H92 WeakPolarHBondContact CA-O 3.4Å; M41-H92 HydrophobicContact CE-CB 3.76Å; T42-H92 PolarHBondContact N-O 3.22Å; T42-H92 PolarHBondContact OG1-ND1 3.23Å; P89-H92 PolarHBondContact O-N 3.2Å; G90-H92 PolarHBondContact O-N 3.11Å; H92-V94 PolarHBondContact O-N 2.81Å
93	V	98.3	Very high	92.8	Very high	38 Å²	38	74.6 Å²	74.6	23%	0.23	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.7	-179.7	177.3	0	0	0	0	110	I39 I88 G90 I96	I39-V93 HydrophobicContact CG2-CG1 4.12Å; I39-V93 HydrophobicContact CG2-CG2 4.15Å; I88-V93 HydrophobicContact CG2-CG2 3.74Å; G90-V93 WeakPolarHBondContact O-CB 3.46Å; G90-V93 PolarHBondContact O-N 3.32Å; V93-I96 HydrophobicContact CG1-CD1 4.09Å; V93-I96 HydrophobicContact CG1-CG1 3.73Å
94	V	98	Very high	90.9	Very high	84 Å²	84	78 Å²	78	51%	0.509	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-39.3	173.9	176.7	0	0	0	0	111	R40 T42 H92	R40-V94 HydrophobicContact CB-CB 4.32Å; R40-V94 WeakPolarHBondContact O-CB 3.43Å; R40-V94 PolarHBondContact O-N 2.76Å; T42-V94 HydrophobicContact CG2-CG2 3.72Å; H92-V94 PolarHBondContact O-N 2.81Å
95	S	97.9	Very high	88.4	Confident	24 Å²	24	79 Å²	79	17%	0.168	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	156.3	177.5	66.4	0	0	0	0	111.5	I39 R40	I39-S95 WeakPolarHBondContact CA-O 3.38Å; R40-S95 PolarHBondContact N-O 2.98Å; R40-S95 PolarHBondContact NE-OG 3.48Å; R40-S95 VanDerWaalsContact NE-OG 3.1Å; R40-S95 PolarHBondContact NH1-OG 3.06Å; R40-S95 VanDerWaalsContact NH2-CB 3.34Å; R40-S95 PolarHBondContact NH2-OG 2.83Å
96	I	97.9	Very high	86	Confident	78 Å²	78	80 Å²	80	40%	0.4	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	172.1	-55	-177.5	0	0	0	107.9	M37 R38 I39 V60 V93	M37-I96 HydrophobicContact CB-CG2 4.28Å; M37-I96 HydrophobicContact CG-CG2 4.19Å; M37-I96 HydrophobicContact SD-CG2 3.45Å; M37-I96 WeakPolarHBondContact SD-CG2 3.26Å; R38-I96 WeakPolarHBondContact O-CA 3.35Å; I39-I96 HydrophobicContact CD1-CD1 4.33Å; I39-I96 HydrophobicContact CD1-CG1 4.29Å; I39-I96 HydrophobicContact CG1-CG1 4.11Å; I39-I96 HydrophobicContact CG1-CG2 4.31Å; V60-I96 HydrophobicContact CG2-CD1 4.37Å; V93-I96 HydrophobicContact CG1-CD1 4.09Å; V93-I96 HydrophobicContact CG1-CG1 3.73Å
97	E	97.9	Very high	83.6	Confident	79 Å²	79	88.1 Å²	88.1	37%	0.369	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.7	171.9	-65.5	161	-141.6	0	0	107.8	M37 R38 R40	M37-E97 CarbonylContact C-O 3.54Å; M37-E97 VanDerWaalsContact CA-O 3.26Å; M37-E97 WeakPolarHBondContact CA-O 3.23Å; R38-E97 HydrophobicContact CB-CB 4.25Å; R38-E97 PolarHBondContact N-O 2.89Å; R38-E97 PolarHBondContact O-N 2.83Å; R40-E97 IonicContact NH1-OE1 2.8Å; R40-E97 PolarHBondContact NH1-OE1 2.92Å
98	V	96.9	Very high	81.1	Confident	56 Å²	56	84.7 Å²	84.7	34%	0.339	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.9	-177.4	-172.4	0	0	0	0	107.9	L32 K35 M37 S100	L32-V98 HydrophobicContact CD2-CG1 4.12Å; L32-V98 HydrophobicContact CD2-CG2 3.9Å; K35-V98 HydrophobicContact CB-CG1 3.83Å; K35-V98 HydrophobicContact CD-CG1 3.74Å; K35-V98 HydrophobicContact CG-CG1 4.43Å; M37-V98 HydrophobicContact CE-CG2 4.01Å; M37-V98 HydrophobicContact CG-CG2 4.26Å; M37-V98 HydrophobicContact SD-CG2 4.5Å; V98-S100 PolarHBondContact O-N 2.74Å
99	E	93	Very high	79	Confident	111 Å²	111	94.6 Å²	94.6	52%	0.519	54%	0.539	S	S	.	.			trans	-62.3	128.9	172.8	-171.4	168.7	-167	0	0	109.4	N36	N36-E99 HydrophobicContact CB-CB 4.01Å; N36-E99 WeakPolarHBondContact CB-OE2 3.27Å; N36-E99 PolarHBondContact ND2-OE2 3.33Å; N36-E99 PolarHBondContact O-N 3.07Å
100	S	88.6	Confident	76.3	Confident	92 Å²	92	96.3 Å²	96.3	64%	0.643	56%	0.562	S	S	*	*			trans	-77.9	141.7	174.7	-62.1	0	0	0	0	108.8	V98 S102	V98-S100 PolarHBondContact O-N 2.74Å; S100-S102 PolarHBondContact O-N 2.93Å; S100-S102 PolarHBondContact O-OG 3.24Å
101	D	75.8	Confident	74	Confident	129 Å²	129	101.2 Å²	101.2	69%	0.69	60%	0.595	S	S	*	*			trans	-64.7	88.2	175.6	-61.8	-29.6	0	0	0	108.5	K35 L103	K35-D101 IonicContact NZ-OD1 2.73Å; K35-D101 PolarHBondContact NZ-OD1 3.42Å; K35-D101 IonicContact NZ-OD2 3.74Å; K35-D101 PolarHBondContact NZ-OD2 3.25Å; D101-L103 PolarHBondContact O-N 3.13Å
102	S	63.5	Low	71.6	Confident	89 Å²	89	100.3 Å²	100.3	62%	0.622	61%	0.605	S	S	*	*			trans	-75.4	113.4	171.1	-56	0	0	0	0	105.1	S100 V104	S100-S102 PolarHBondContact O-N 2.93Å; S100-S102 PolarHBondContact O-OG 3.24Å; S102-V104 PolarHBondContact O-N 2.94Å
103	L	58.7	Low	69.4	Low	175 Å²	175	109.4 Å²	109.4	92%	0.916	65%	0.646	S	S	*	*			trans	-59.6	89.7	172.3	-63.2	175.2	0	0	0	108.2	D101 G105	D101-L103 PolarHBondContact O-N 3.13Å; L103-G105 PolarHBondContact O-N 2.97Å
104	V	56.5	Low	68	Low	132 Å²	132	113 Å²	113	80%	0.8	67%	0.667	S	S	*	*			trans	-66.4	105.6	167.4	176.4	0	0	0	0	105.1	S102 T106	S102-V104 PolarHBondContact O-N 2.94Å; V104-T106 PolarHBondContact O-N 3.27Å
105	G	45.8	Very low	66.4	Low	57 Å²	57	114.5 Å²	114.5	59%	0.588	68%	0.676	S	S	*	*			trans	-51.6	127.9	178	0	0	0	0	0	110	L103 Q107	L103-G105 PolarHBondContact O-N 2.97Å; G105-Q107 VanDerWaalsContact C-N 3.25Å; G105-Q107 PolarHBondContact O-N 3.39Å
106	T	48.5	Very low	64.6	Low	140 Å²	140	119.5 Å²	119.5	86%	0.859	70%	0.704	S	S	*	*			trans	-54.6	89.1	167.3	-48.7	0	0	0	0	109	V104 G108	V104-T106 PolarHBondContact O-N 3.27Å; T106-G108 PolarHBondContact O-N 3.17Å
107	Q	47.2	Very low	62.7	Low	184 Å²	184	121.9 Å²	121.9	86%	0.86	72%	0.722	S	S	*	*			trans	-72.6	82.1	159.6	-73.9	-90.3	-17.8	0	0	105.6	G105 F109	G105-Q107 VanDerWaalsContact C-N 3.25Å; G105-Q107 PolarHBondContact O-N 3.39Å; Q107-F109 PolarHBondContact O-N 2.91Å
108	G	46.1	Very low	60.5	Low	58 Å²	58	124.6 Å²	124.6	60%	0.598	74%	0.744	S	S	*	*			trans	-59.2	119.2	166.8	0	0	0	0	0	108	T106 G110	T106-G108 PolarHBondContact O-N 3.17Å; G108-G110 VanDerWaalsContact C-N 3.35Å; G108-G110 PolarHBondContact O-N 2.62Å
109	F	53.3	Low	58	Low	209 Å²	209	129.2 Å²	129.2	92%	0.917	77%	0.771	S	S	*	*			trans	-60	102.8	162.6	-81.2	-88.7	0	0	0	107.4	Q107 S111	Q107-F109 PolarHBondContact O-N 2.91Å; F109-S111 PolarHBondContact O-N 2.71Å
110	G	42.6	Very low	55.5	Low	67 Å²	67	130.5 Å²	130.5	69%	0.691	79%	0.789	S	S	*	*			trans	-65.4	111.9	165.7	0	0	0	0	0	108.2	G108 S112	G108-G110 VanDerWaalsContact C-N 3.35Å; G108-G110 PolarHBondContact O-N 2.62Å; G110-S112 PolarHBondContact O-N 3.21Å; G110-S112 VanDerWaalsContact O-N 3.13Å
111	S	50.5	Low	53	Low	115 Å²	115	133.5 Å²	133.5	80%	0.804	80%	0.8	S	S	*	*			trans	-64	106.7	166.8	-50.2	0	0	0	0	108.2	F109 H113	F109-S111 PolarHBondContact O-N 2.71Å; S111-H113 PolarHBondContact O-N 3.38Å
112	S	49.1	Very low	51.1	Low	124 Å²	124	133.8 Å²	133.8	87%	0.867	81%	0.809	S	S	*	*			trans	-64.9	122.8	167	-43.4	0	0	0	0	108.6	G110	G110-S112 PolarHBondContact O-N 3.21Å; G110-S112 VanDerWaalsContact O-N 3.13Å
113	H	51.3	Low	50	Low	256 Å²	256	137.9 Å²	137.9	100%	1.185	83%	0.826	S	S	*	*			trans	-119.9	0	165.1	-125.5	-63.9	0	0	0	108.8	S111	S111-H113 PolarHBondContact O-N 3.38Å

Retrieved 113 of 113 residues in 61.6 ms (Link to these results)

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