A0A077ZG19_TRITR Loading...

PITH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG19, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 aa.

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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	47.5	Very low	45	Very low	240 Å²	240	153.5 Å²	153.5	100%	1.182	88%	0.879	S	S	*	*				0	94	0	-73.8	170.2	174.3	0	0	104.4
2	S	46.3	Very low	45.5	Very low	124 Å²	124	154.8 Å²	154.8	87%	0.867	87%	0.871	S	S	*	*			trans	-101.9	111.8	-161.4	-23	0	0	0	0	108.3
3	D	43.5	Very low	46.1	Very low	157 Å²	157	153.9 Å²	153.9	84%	0.84	86%	0.855	S	S	*	*			trans	-60.7	139.4	162.8	-72	-45.2	0	0	0	109.7
4	C	43.6	Very low	46.5	Very low	131 Å²	131	152.5 Å²	152.5	89%	0.885	84%	0.839	S	S	*	*			trans	-151.5	119.4	150.9	-96.7	0	0	0	0	110.2
5	H	46.2	Very low	47.3	Very low	198 Å²	198	150.1 Å²	150.1	92%	0.917	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-62.3	138.9	177.1	-118.5	18	0	0	0	111.9
6	C	48.9	Very low	47.8	Very low	124 Å²	124	148.6 Å²	148.6	84%	0.838	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.2	129.3	170.3	-56.2	0	0	0	0	109.5
7	G	42.4	Very low	48.6	Very low	81 Å²	81	147.5 Å²	147.5	84%	0.835	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-76.1	132.3	178.4	0	0	0	0	0	112.6
8	E	41.3	Very low	49.4	Very low	198 Å²	198	146.7 Å²	146.7	93%	0.925	79%	0.787	S	S	*	*			trans	-99	113.2	160.9	-68.5	170.8	157.3	0	0	106.6
9	A	41.1	Very low	50	Low	96 Å²	96	144.8 Å²	144.8	79%	0.793	77%	0.773	S	S	*	*			trans	-170.1	47.5	171.7	0	0	0	0	0	115.6
10	E	44.6	Very low	50.6	Low	185 Å²	185	144.3 Å²	144.3	86%	0.864	77%	0.766	S	S	*	*			trans	-150.1	91.4	174.1	-61.2	-175.2	-162.3	0	0	110.9
11	H	50.1	Low	51.2	Low	155 Å²	155	144.1 Å²	144.1	72%	0.718	76%	0.761	S	S	*	*	S	Bend	trans	-176.2	11.7	155.1	-108	-62.1	0	0	0	118.7
12	E	50.6	Low	51.9	Low	169 Å²	169	139 Å²	139	79%	0.79	73%	0.734	S	S	*	*	S	Bend	trans	-97.9	-15.6	-173.6	-69	-177.5	167.4	0	0	115.8
13	H	53.8	Low	52.6	Low	143 Å²	143	138.2 Å²	138.2	66%	0.662	72%	0.715	S	S	*	*	H	α-helix	trans	-82.8	-28.5	-173	-101	-71.9	0	0	0	115.7
14	E	51.8	Low	54	Low	134 Å²	134	136 Å²	136	63%	0.626	70%	0.703	S	S	*	*	H	α-helix	trans	-75.1	-29.6	-174.7	-66.7	179.9	166.5	0	0	112.7
15	L	57.2	Low	55.2	Low	117 Å²	117	132 Å²	132	61%	0.613	67%	0.674	S	S	*	*	H	α-helix	trans	-73.7	-30.9	-177.9	-63	174.7	0	0	0	112.5	E19	L15-E19 PolarHBondContact O-N 3.33Å
16	E	56.8	Low	56.3	Low	126 Å²	126	124.1 Å²	124.1	59%	0.589	64%	0.643	S	S	*	*	H	α-helix	trans	-74.2	-39.6	-178.6	-65.4	-172.9	166	0	0	112	E19 E20	E16-E19 PolarHBondContact O-N 3.22Å; E16-E20 PolarHBondContact O-N 2.83Å; E16-E20 VanDerWaalsContact O-N 3.08Å
17	E	61.1	Low	57.5	Low	130 Å²	130	123.2 Å²	123.2	61%	0.607	63%	0.63	S	S	*	*	H	α-helix	trans	-65.1	-44.1	179.7	-67.2	-175.6	178.3	0	0	111.8	E19 E20 E21	E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.07Å; E17-E20 PolarHBondContact O-N 3.32Å; E17-E21 PolarHBondContact O-N 2.94Å
18	E	61.6	Low	59.4	Low	133 Å²	133	122.3 Å²	122.3	62%	0.621	61%	0.605	S	S	*	*	H	α-helix	trans	-62.5	-39.8	177.3	-69.8	-173.2	170.5	0	0	112.1	E21 E22	E18-E21 PolarHBondContact O-N 2.86Å; E18-E22 PolarHBondContact O-N 3.32Å
19	E	62	Low	61.6	Low	110 Å²	110	113.2 Å²	113.2	51%	0.514	56%	0.563	S	S	.	*	H	α-helix	trans	-66.6	-38.1	176.7	-81.5	-161.8	-167.6	0	0	112.9	L15 E16 E17 K23	L15-E19 PolarHBondContact O-N 3.33Å; E16-E19 PolarHBondContact O-N 3.22Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.07Å; E19-K23 WeakPolarHBondContact O-CB 3.49Å; E19-K23 VanDerWaalsContact O-CD 3.31Å; E19-K23 WeakPolarHBondContact O-CD 3.33Å; E19-K23 WeakPolarHBondContact O-CG 3.47Å; E19-K23 PolarHBondContact O-N 3.14Å; E19-K23 IonicContact OE2-NZ 2.82Å; E19-K23 PolarHBondContact OE2-NZ 3.37Å
20	E	61.6	Low	64	Low	135 Å²	135	110 Å²	110	63%	0.631	53%	0.534	S	S	*	.	H	α-helix	trans	-67.1	-43.2	176.4	-73.7	-163.4	166	0	0	111.6	E16 E17 E22 K23 D24	E16-E20 PolarHBondContact O-N 2.83Å; E16-E20 VanDerWaalsContact O-N 3.08Å; E17-E20 PolarHBondContact O-N 3.32Å; E20-E22 PolarHBondContact O-N 3.31Å; E20-K23 PolarHBondContact O-N 3.39Å; E20-D24 PolarHBondContact O-N 2.92Å
21	E	62.8	Low	66.3	Low	141 Å²	141	101.2 Å²	101.2	66%	0.659	49%	0.493	S	S	*	.	H	α-helix	trans	-61.2	-44.1	175.8	-72.2	-167.4	171	0	0	112	E17 E18 K23 D24 V25	E17-E21 PolarHBondContact O-N 2.94Å; E18-E21 PolarHBondContact O-N 2.86Å; E21-K23 VanDerWaalsContact C-N 3.35Å; E21-K23 PolarHBondContact O-N 3.3Å; E21-D24 PolarHBondContact O-N 3.22Å; E21-V25 WeakPolarHBondContact O-CG2 3.14Å; E21-V25 PolarHBondContact O-N 2.9Å
22	E	61.8	Low	68.4	Low	131 Å²	131	96.5 Å²	96.5	61%	0.612	47%	0.469	S	S	*	.	H	α-helix	trans	-64.3	-38.9	175.8	-77.7	-156.7	147.4	0	0	112.5	E18 E20 D24 V25 A26	E18-E22 PolarHBondContact O-N 3.32Å; E20-E22 PolarHBondContact O-N 3.31Å; E22-D24 VanDerWaalsContact C-N 3.33Å; E22-V25 PolarHBondContact O-N 2.91Å; E22-A26 WeakPolarHBondContact O-CB 3.13Å; E22-A26 PolarHBondContact O-N 2.72Å
23	K	61.3	Low	70.4	Confident	109 Å²	109	94.4 Å²	94.4	47%	0.474	46%	0.457	S	S	.	.	H	α-helix	trans	-63.1	-41	175.4	-76.9	163.7	-168.7	156	0	110.9	E19 E20 E21 A26 N27	E19-K23 WeakPolarHBondContact O-CB 3.49Å; E19-K23 VanDerWaalsContact O-CD 3.31Å; E19-K23 WeakPolarHBondContact O-CD 3.33Å; E19-K23 WeakPolarHBondContact O-CG 3.47Å; E19-K23 PolarHBondContact O-N 3.14Å; E19-K23 IonicContact OE2-NZ 2.82Å; E19-K23 PolarHBondContact OE2-NZ 3.37Å; E20-K23 PolarHBondContact O-N 3.39Å; E21-K23 VanDerWaalsContact C-N 3.35Å; E21-K23 PolarHBondContact O-N 3.3Å; K23-A26 PolarHBondContact O-N 3.09Å; K23-N27 WeakPolarHBondContact O-CB 3.39Å; K23-N27 VanDerWaalsContact O-CG 3.25Å; K23-N27 PolarHBondContact O-N 3.45Å; K23-N27 PolarHBondContact O-ND2 3.13Å
24	D	72.7	Confident	72.4	Confident	109 Å²	109	91.5 Å²	91.5	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-63.8	-47.9	176.4	-85.4	-9.9	0	0	0	111.5	E20 E21 E22 A26 N27 M28	E20-D24 PolarHBondContact O-N 2.92Å; E21-D24 PolarHBondContact O-N 3.22Å; E22-D24 VanDerWaalsContact C-N 3.33Å; D24-A26 VanDerWaalsContact C-N 3.35Å; D24-A26 PolarHBondContact O-N 2.84Å; D24-N27 WeakPolarHBondContact O-CB 3.29Å; D24-N27 PolarHBondContact O-N 2.8Å; D24-M28 WeakPolarHBondContact O-CG 3.36Å; D24-M28 PolarHBondContact O-N 3.43Å
25	V	70.5	Confident	74.5	Confident	48 Å²	48	85.6 Å²	85.6	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-39.8	176.8	-179.5	0	0	0	0	111.4	E21 E22 N27 M28 F29 W58	E21-V25 WeakPolarHBondContact O-CG2 3.14Å; E21-V25 PolarHBondContact O-N 2.9Å; E22-V25 PolarHBondContact O-N 2.91Å; V25-N27 PolarHBondContact O-N 2.88Å; V25-M28 WeakPolarHBondContact O-CB 3.49Å; V25-M28 PolarHBondContact O-N 3.47Å; V25-F29 HydrophobicContact CG1-CD2 4.24Å; V25-F29 HydrophobicContact CG1-CE2 4.08Å; V25-F29 PolarHBondContact O-N 3.47Å; V25-W58 HydrophobicContact CG1-CD2 4.13Å; V25-W58 VanDerWaalsContact CG1-CE2 3.48Å; V25-W58 HydrophobicContact CG1-CH2 4.34Å; V25-W58 HydrophobicContact CG1-CZ2 3.62Å
26	A	67.8	Low	76.3	Confident	32 Å²	32	82.1 Å²	82.1	26%	0.264	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-33.5	176.5	0	0	0	0	0	112.3	E22 K23 D24 W58	E22-A26 WeakPolarHBondContact O-CB 3.13Å; E22-A26 PolarHBondContact O-N 2.72Å; K23-A26 PolarHBondContact O-N 3.09Å; D24-A26 VanDerWaalsContact C-N 3.35Å; D24-A26 PolarHBondContact O-N 2.84Å; A26-W58 HydrophobicContact CB-CB 4.21Å; A26-W58 HydrophobicContact CB-CG 4.44Å
27	N	74.6	Confident	78.1	Confident	105 Å²	105	79.4 Å²	79.4	56%	0.561	38%	0.382	S	S	*	.	H	α-helix	trans	-72.2	-29	173.6	-75.1	-30.7	0	0	0	112.9	K23 D24 V25 S30	K23-N27 WeakPolarHBondContact O-CB 3.39Å; K23-N27 VanDerWaalsContact O-CG 3.25Å; K23-N27 PolarHBondContact O-N 3.45Å; K23-N27 PolarHBondContact O-ND2 3.13Å; D24-N27 WeakPolarHBondContact O-CB 3.29Å; D24-N27 PolarHBondContact O-N 2.8Å; V25-N27 PolarHBondContact O-N 2.88Å; N27-S30 VanDerWaalsContact O-CB 3.3Å; N27-S30 WeakPolarHBondContact O-CB 3.12Å; N27-S30 PolarHBondContact O-OG 2.87Å
28	M	83	Confident	79.7	Confident	62 Å²	62	81.3 Å²	81.3	31%	0.305	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-51.6	177.1	-65.4	178.7	76.9	0	0	111.5	D24 V25 S30 K92 D175	D24-M28 WeakPolarHBondContact O-CG 3.36Å; D24-M28 PolarHBondContact O-N 3.43Å; V25-M28 WeakPolarHBondContact O-CB 3.49Å; V25-M28 PolarHBondContact O-N 3.47Å; M28-S30 PolarHBondContact O-N 3.19Å; M28-K92 HydrophobicContact CE-CD 4.4Å; M28-D175 HydrophobicContact CB-CB 4.36Å; M28-D175 VanDerWaalsContact O-CA 3.28Å; M28-D175 WeakPolarHBondContact O-CA 3.38Å
29	F	87.9	Confident	81.2	Confident	8 Å²	8	79.7 Å²	79.7	4%	0.035	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	43.7	-175.5	-61.9	-77.5	0	0	0	113.9	V25 Y32 W58 V94 P140 L174 D175	V25-F29 HydrophobicContact CG1-CD2 4.24Å; V25-F29 HydrophobicContact CG1-CE2 4.08Å; V25-F29 PolarHBondContact O-N 3.47Å; F29-Y32 WeakPolarHBondContact O-CD1 3.34Å; F29-W58 HydrophobicContact CB-CB 4.41Å; F29-W58 HydrophobicContact CB-CE3 4.08Å; F29-W58 AromaticContact CD2-CD2 3.81Å; F29-W58 HydrophobicContact CD2-CD2 3.81Å; F29-W58 AromaticContact CD2-CE3 3.25Å; F29-W58 HydrophobicContact CD2-CE3 3.25Å; F29-W58 HydrophobicContact CD2-CG 4.5Å; F29-W58 HydrophobicContact CD2-CH2 4.19Å; F29-W58 AromaticContact CD2-CZ3 3.47Å; F29-W58 HydrophobicContact CD2-CZ3 3.47Å; F29-W58 VanDerWaalsContact CD2-CZ3 3.47Å; F29-W58 HydrophobicContact CE2-CD2 4.43Å; F29-W58 AromaticContact CE2-CE3 3.81Å; F29-W58 HydrophobicContact CE2-CE3 3.81Å; F29-W58 AromaticContact CE2-CH2 3.89Å; F29-W58 HydrophobicContact CE2-CH2 3.89Å; F29-W58 AromaticContact CE2-CZ3 3.5Å; F29-W58 HydrophobicContact CE2-CZ3 3.5Å; F29-W58 VanDerWaalsContact CE2-CZ3 3.5Å; F29-W58 AromaticContact CG-CE3 3.76Å; F29-W58 HydrophobicContact CG-CE3 3.76Å; F29-W58 HydrophobicContact CG-CZ3 4.09Å; F29-W58 HydrophobicContact CZ-CZ3 4.15Å; F29-V94 HydrophobicContact CE1-CB 3.97Å; F29-V94 HydrophobicContact CE1-CG2 3.54Å; F29-V94 HydrophobicContact CE2-CG2 4.14Å; F29-V94 HydrophobicContact CZ-CB 4.14Å; F29-V94 HydrophobicContact CZ-CG2 3.29Å; F29-P140 HydrophobicContact CZ-CB 4.4Å; F29-L174 CarbonylContact C-O 3.5Å; F29-L174 WeakPolarHBondContact CA-O 3.16Å; F29-D175 HydrophobicContact CD1-CB 3.8Å; F29-D175 HydrophobicContact CE1-CB 3.75Å; F29-D175 HydrophobicContact CG-CB 4.48Å; F29-D175 HydrophobicContact CZ-CB 4.39Å
30	S	90	Very high	82.9	Confident	27 Å²	27	74.7 Å²	74.7	19%	0.189	36%	0.363	C	S	.	.			trans	-91.8	-5.1	-172.8	59.1	0	0	0	0	114.7	N27 M28 Y32 K33	N27-S30 VanDerWaalsContact O-CB 3.3Å; N27-S30 WeakPolarHBondContact O-CB 3.12Å; N27-S30 PolarHBondContact O-OG 2.87Å; M28-S30 PolarHBondContact O-N 3.19Å; S30-Y32 PolarHBondContact O-N 2.95Å; S30-Y32 VanDerWaalsContact O-N 3.1Å; S30-K33 WeakPolarHBondContact O-CB 3.38Å; S30-K33 WeakPolarHBondContact O-CG 3.47Å; S30-K33 PolarHBondContact O-N 3.26Å; S30-K33 VanDerWaalsContact O-N 3.17Å
31	L	93.6	Very high	84.5	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-67.1	-14.6	-173.3	-67.6	-178	0	0	0	114.4	K33 Y34 V88 L90 L174	L31-K33 PolarHBondContact O-N 3.16Å; L31-K33 VanDerWaalsContact O-N 3.12Å; L31-Y34 HydrophobicContact CD2-CD2 3.99Å; L31-Y34 HydrophobicContact CD2-CE2 4.35Å; L31-Y34 PolarHBondContact O-N 3.01Å; L31-V88 HydrophobicContact CD1-CB 4.46Å; L31-V88 HydrophobicContact CD2-CB 4.46Å; L31-V88 HydrophobicContact CD2-CG1 4.16Å; L31-L90 HydrophobicContact CD1-CD2 3.42Å; L31-L90 VanDerWaalsContact CD1-CD2 3.42Å; L31-L174 HydrophobicContact CB-CB 3.97Å; L31-L174 WeakPolarHBondContact CB-O 3.47Å; L31-L174 HydrophobicContact CD1-CB 4.25Å; L31-L174 PolarHBondContact N-O 2.86Å
32	Y	94	Very high	86.2	Confident	56 Å²	56	64.6 Å²	64.6	22%	0.22	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-56.5	-27.8	173.3	78.3	-87.2	0	0	0	112.4	F29 S30 Y34 I35 F37 R56 A57	F29-Y32 WeakPolarHBondContact O-CD1 3.34Å; S30-Y32 PolarHBondContact O-N 2.95Å; S30-Y32 VanDerWaalsContact O-N 3.1Å; Y32-Y34 PolarHBondContact O-N 3.41Å; Y32-I35 PolarHBondContact O-N 3.34Å; Y32-F37 WeakPolarHBondContact O-CE2 3.2Å; Y32-R56 WeakPolarHBondContact CD1-O 3.49Å; Y32-A57 VanDerWaalsContact CE1-CA 3.41Å; Y32-A57 HydrophobicContact CE1-CB 3.88Å; Y32-A57 HydrophobicContact CE2-CB 4.5Å; Y32-A57 VanDerWaalsContact OH-CB 3.29Å; Y32-A57 WeakPolarHBondContact OH-CB 3.27Å
33	K	93.4	Very high	87.8	Confident	125 Å²	125	61 Å²	61	54%	0.543	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-64.6	-22.3	178.2	-62	175.2	-175.7	176.1	0	113.4	S30 L31	S30-K33 WeakPolarHBondContact O-CB 3.38Å; S30-K33 WeakPolarHBondContact O-CG 3.47Å; S30-K33 PolarHBondContact O-N 3.26Å; S30-K33 VanDerWaalsContact O-N 3.17Å; L31-K33 PolarHBondContact O-N 3.16Å; L31-K33 VanDerWaalsContact O-N 3.12Å
34	Y	94.6	Very high	89.5	Confident	83 Å²	83	57.2 Å²	57.2	33%	0.325	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-104.9	4.7	-178.1	-53.4	-73.1	0	0	0	112.5	L31 Y32 F84 A85 Y178	L31-Y34 HydrophobicContact CD2-CD2 3.99Å; L31-Y34 HydrophobicContact CD2-CE2 4.35Å; L31-Y34 PolarHBondContact O-N 3.01Å; Y32-Y34 PolarHBondContact O-N 3.41Å; Y34-F84 CarbonylContact O-C 3.54Å; Y34-F84 VanDerWaalsContact O-CA 3.29Å; Y34-F84 WeakPolarHBondContact O-CA 3.4Å; Y34-A85 PolarHBondContact O-N 2.71Å; Y34-Y178 AromaticContact CD1-CD1 3.93Å; Y34-Y178 HydrophobicContact CD1-CD1 3.93Å; Y34-Y178 AromaticContact CD1-CD2 3.55Å; Y34-Y178 HydrophobicContact CD1-CD2 3.55Å; Y34-Y178 HydrophobicContact CD1-CE1 4.12Å; Y34-Y178 AromaticContact CD1-CE2 3.79Å; Y34-Y178 HydrophobicContact CD1-CE2 3.79Å; Y34-Y178 AromaticContact CD1-CG 3.63Å; Y34-Y178 HydrophobicContact CD1-CG 3.63Å; Y34-Y178 HydrophobicContact CD2-CD2 4.07Å; Y34-Y178 HydrophobicContact CD2-CG 4.02Å; Y34-Y178 AromaticContact CE1-CD1 3.58Å; Y34-Y178 HydrophobicContact CE1-CD1 3.58Å; Y34-Y178 HydrophobicContact CE1-CD2 4.04Å; Y34-Y178 AromaticContact CE1-CE1 3.99Å; Y34-Y178 HydrophobicContact CE1-CE1 3.99Å; Y34-Y178 HydrophobicContact CE1-CE2 4.43Å; Y34-Y178 AromaticContact CE1-CG 3.6Å; Y34-Y178 HydrophobicContact CE1-CG 3.6Å; Y34-Y178 VanDerWaalsContact CE2-CB 3.49Å; Y34-Y178 HydrophobicContact CE2-CG 4.02Å; Y34-Y178 AromaticContact CG-CD2 3.55Å; Y34-Y178 HydrophobicContact CG-CD2 3.55Å; Y34-Y178 HydrophobicContact CG-CE2 4.1Å; Y34-Y178 AromaticContact CG-CG 3.84Å; Y34-Y178 HydrophobicContact CG-CG 3.84Å; Y34-Y178 AromaticContact CZ-CD1 3.97Å; Y34-Y178 AromaticContact CZ-CG 3.8Å
35	I	95.7	Very high	90.7	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.046	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-73.8	130.8	172.2	-61.9	167.8	0	0	0	108	Y32 F37 F40 F55 L82 F84	Y32-I35 PolarHBondContact O-N 3.34Å; I35-F37 HydrophobicContact CB-CD2 4.3Å; I35-F37 HydrophobicContact CB-CE1 4.49Å; I35-F37 HydrophobicContact CB-CE2 3.95Å; I35-F37 HydrophobicContact CB-CZ 4.06Å; I35-F37 HydrophobicContact CD1-CZ 4.2Å; I35-F37 HydrophobicContact CG2-CD1 4.19Å; I35-F37 HydrophobicContact CG2-CD2 4.37Å; I35-F37 HydrophobicContact CG2-CE1 4.15Å; I35-F37 HydrophobicContact CG2-CE2 4.33Å; I35-F37 HydrophobicContact CG2-CG 4.32Å; I35-F37 HydrophobicContact CG2-CZ 4.22Å; I35-F37 WeakPolarHBondContact O-CD2 3.17Å; I35-F37 PolarHBondContact O-N 3.07Å; I35-F37 VanDerWaalsContact O-N 3.13Å; I35-F40 HydrophobicContact CG2-CD2 4.14Å; I35-F55 HydrophobicContact CD1-CB 3.81Å; I35-F55 HydrophobicContact CD1-CD1 3.66Å; I35-F55 HydrophobicContact CD1-CE1 4.47Å; I35-F55 HydrophobicContact CD1-CG 3.8Å; I35-L82 HydrophobicContact CD1-CD2 3.65Å; I35-L82 HydrophobicContact CG1-CD2 4.19Å; I35-L82 HydrophobicContact CG2-CD2 4.35Å; I35-F84 HydrophobicContact CG1-CD1 4.15Å; I35-F84 HydrophobicContact CG1-CE1 3.8Å
36	D	95.2	Very high	91.9	Very high	45 Å²	45	55 Å²	55	24%	0.241	28%	0.276	C	S	.	.			trans	-79.4	90.7	168.8	178.2	-1	0	0	0	109.1	E38 N39 F40 P83	D36-E38 PolarHBondContact O-N 3.32Å; D36-E38 WeakPolarHBondContact OD1-CB 3.23Å; D36-E38 PolarHBondContact OD1-N 2.98Å; D36-N39 PolarHBondContact O-N 2.74Å; D36-N39 PolarHBondContact OD1-N 3.32Å; D36-N39 PolarHBondContact OD2-ND2 3.38Å; D36-F40 PolarHBondContact O-N 2.92Å; D36-P83 HydrophobicContact CB-CB 4.2Å; D36-P83 HydrophobicContact CB-CG 4.07Å; D36-P83 PolarHBondContact N-O 2.65Å
37	F	95.3	Very high	93.2	Very high	69 Å²	69	57.5 Å²	57.5	30%	0.303	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.8	179.5	-72	-76.8	0	0	0	113.8	Y32 I35 K52 F55	Y32-F37 WeakPolarHBondContact O-CE2 3.2Å; I35-F37 HydrophobicContact CB-CD2 4.3Å; I35-F37 HydrophobicContact CB-CE1 4.49Å; I35-F37 HydrophobicContact CB-CE2 3.95Å; I35-F37 HydrophobicContact CB-CZ 4.06Å; I35-F37 HydrophobicContact CD1-CZ 4.2Å; I35-F37 HydrophobicContact CG2-CD1 4.19Å; I35-F37 HydrophobicContact CG2-CD2 4.37Å; I35-F37 HydrophobicContact CG2-CE1 4.15Å; I35-F37 HydrophobicContact CG2-CE2 4.33Å; I35-F37 HydrophobicContact CG2-CG 4.32Å; I35-F37 HydrophobicContact CG2-CZ 4.22Å; I35-F37 WeakPolarHBondContact O-CD2 3.17Å; I35-F37 PolarHBondContact O-N 3.07Å; I35-F37 VanDerWaalsContact O-N 3.13Å; F37-K52 HydrophobicContact CD1-CB 4.01Å; F37-K52 HydrophobicContact CD1-CG 4.2Å; F37-K52 HydrophobicContact CE1-CB 4.37Å; F37-K52 WeakPolarHBondContact O-CE 3.34Å; F37-K52 PolarHBondContact O-NZ 3.05Å; F37-F55 HydrophobicContact CE1-CB 4Å; F37-F55 HydrophobicContact CZ-CB 3.96Å
38	E	94.1	Very high	94.1	Very high	170 Å²	170	59.9 Å²	59.9	79%	0.794	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-47.6	175.7	-170.3	173.6	175.9	0	0	109.7	D36	D36-E38 PolarHBondContact O-N 3.32Å; D36-E38 WeakPolarHBondContact OD1-CB 3.23Å; D36-E38 PolarHBondContact OD1-N 2.98Å
39	N	94.2	Very high	94.6	Very high	98 Å²	98	57.9 Å²	57.9	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.3	179	-67	-63.3	0	0	0	114.4	D36 P83	D36-N39 PolarHBondContact O-N 2.74Å; D36-N39 PolarHBondContact OD1-N 3.32Å; D36-N39 PolarHBondContact OD2-ND2 3.38Å; N39-P83 HydrophobicContact CB-CB 4.44Å; N39-P83 HydrophobicContact CB-CG 3.66Å
40	F	96.4	Very high	94.9	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.022	30%	0.296	C	S	.	.			trans	-63.5	135.8	174	177.4	-74.2	0	0	0	111.5	I35 D36 C42 G51 K52 F55 F80 N81 L82	I35-F40 HydrophobicContact CG2-CD2 4.14Å; D36-F40 PolarHBondContact O-N 2.92Å; F40-C42 HydrophobicContact CE1-CB 3.85Å; F40-C42 HydrophobicContact CZ-CB 4.44Å; F40-G51 WeakPolarHBondContact CZ-O 3.33Å; F40-K52 HydrophobicContact CB-CG 4.34Å; F40-K52 HydrophobicContact CD1-CB 4.41Å; F40-K52 HydrophobicContact CD1-CD 4.04Å; F40-K52 HydrophobicContact CD1-CG 3.23Å; F40-K52 HydrophobicContact CE1-CB 4.37Å; F40-K52 HydrophobicContact CE1-CG 3.53Å; F40-K52 HydrophobicContact CG-CG 3.88Å; F40-K52 HydrophobicContact CZ-CG 4.38Å; F40-K52 WeakPolarHBondContact O-CE 3.5Å; F40-K52 PolarHBondContact O-NZ 3.29Å; F40-F55 AromaticContact CE2-CD2 3.76Å; F40-F55 HydrophobicContact CE2-CD2 3.76Å; F40-F55 AromaticContact CE2-CE2 3.58Å; F40-F55 HydrophobicContact CE2-CE2 3.58Å; F40-F55 HydrophobicContact CE2-CZ 4.44Å; F40-F55 HydrophobicContact CZ-CD2 4.05Å; F40-F55 AromaticContact CZ-CE2 3.77Å; F40-F55 HydrophobicContact CZ-CE2 3.77Å; F40-F80 HydrophobicContact CZ-CB 4.48Å; F40-F80 HydrophobicContact CZ-CD1 4.01Å; F40-N81 WeakPolarHBondContact CD2-O 3.25Å; F40-L82 HydrophobicContact CD2-CD2 4.14Å; F40-L82 HydrophobicContact CD2-CG 3.91Å; F40-L82 HydrophobicContact CE2-CD1 4.49Å; F40-L82 HydrophobicContact CE2-CD2 3.77Å; F40-L82 HydrophobicContact CE2-CG 3.64Å
41	T	96.7	Very high	95.2	Very high	52 Å²	52	56.5 Å²	56.5	32%	0.319	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.3	173	68.6	0	0	0	0	110.9	N81	T41-N81 PolarHBondContact N-O 2.83Å; T41-N81 PolarHBondContact O-N 2.76Å; T41-N81 WeakPolarHBondContact OG1-CB 3.32Å; T41-N81 PolarHBondContact OG1-ND2 2.79Å
42	C	96.9	Very high	95.2	Very high	13 Å²	13	59.6 Å²	59.6	9%	0.088	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.8	167.9	-175.6	0	0	0	0	108.6	F40 E45 L79 F80	F40-C42 HydrophobicContact CE1-CB 3.85Å; F40-C42 HydrophobicContact CZ-CB 4.44Å; C42-E45 HydrophobicContact CB-CG 4.35Å; C42-L79 CarbonylContact C-O 3.26Å; C42-L79 WeakPolarHBondContact CA-O 3.23Å; C42-F80 HydrophobicContact CB-CD1 4.22Å; C42-F80 VanDerWaalsContact SG-CD1 3.57Å; C42-F80 VanDerWaalsContact SG-CE1 3.51Å
43	L	97	Very high	95.2	Very high	56 Å²	56	61 Å²	61	29%	0.293	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.9	176.4	-52.4	-172.5	0	0	0	110.4	E45 L79 F118	L43-E45 VanDerWaalsContact C-N 3.28Å; L43-E45 PolarHBondContact O-N 2.91Å; L43-L79 HydrophobicContact CB-CB 4.22Å; L43-L79 HydrophobicContact CD1-CD2 3.98Å; L43-L79 HydrophobicContact CG-CB 4.49Å; L43-L79 PolarHBondContact N-O 3Å; L43-L79 PolarHBondContact O-N 2.83Å; L43-F118 HydrophobicContact CB-CE1 4.39Å; L43-F118 HydrophobicContact CB-CE2 3.58Å; L43-F118 HydrophobicContact CB-CZ 3.48Å; L43-F118 VanDerWaalsContact CB-CZ 3.48Å; L43-F118 HydrophobicContact CD1-CD2 4.26Å; L43-F118 HydrophobicContact CD1-CE2 4.07Å; L43-F118 HydrophobicContact CD1-CZ 4.43Å; L43-F118 HydrophobicContact CG-CE2 4.5Å
44	N	96.9	Very high	95.3	Very high	29 Å²	29	55 Å²	55	16%	0.155	28%	0.282	C	S	.	.	S	Bend	trans	60	31.8	-176.9	-163.9	36.4	0	0	0	113.8	S72 D73 T74 D75 E77 L78 F118	N44-S72 WeakPolarHBondContact O-CA 3.46Å; N44-D73 PolarHBondContact O-N 3.15Å; N44-D73 VanDerWaalsContact O-N 3.11Å; N44-T74 PolarHBondContact OD1-N 2.76Å; N44-D75 PolarHBondContact ND2-O 2.83Å; N44-D75 PolarHBondContact ND2-OD1 2.89Å; N44-E77 WeakPolarHBondContact CB-O 3.15Å; N44-E77 PolarHBondContact ND2-O 3.11Å; N44-L78 WeakPolarHBondContact O-CD2 3.38Å; N44-F118 HydrophobicContact CB-CE2 4.15Å; N44-F118 HydrophobicContact CB-CZ 3.7Å
45	E	96.2	Very high	95.3	Very high	26 Å²	26	51.4 Å²	51.4	12%	0.121	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-83.3	134.5	169.3	60.1	179.7	158.1	0	0	111.5	C42 L43 V47 G49 S50 G51 V70	C42-E45 HydrophobicContact CB-CG 4.35Å; L43-E45 VanDerWaalsContact C-N 3.28Å; L43-E45 PolarHBondContact O-N 2.91Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 3.27Å; E45-V47 VanDerWaalsContact OE2-O 3.05Å; E45-G49 VanDerWaalsContact CD-N 3.29Å; E45-G49 PolarHBondContact OE1-N 3.07Å; E45-G49 PolarHBondContact OE2-N 2.97Å; E45-S50 WeakPolarHBondContact OE2-CA 3.34Å; E45-S50 PolarHBondContact OE2-N 2.85Å; E45-S50 PolarHBondContact OE2-OG 2.79Å; E45-G51 PolarHBondContact OE2-N 3.28Å; E45-V70 HydrophobicContact CB-CG2 3.74Å
46	L	95.8	Very high	95.2	Very high	83 Å²	83	52 Å²	52	44%	0.435	27%	0.269	S	S	.	.	S	Bend	trans	-62	-36.5	177.8	178.6	64.6	0	0	0	112.6	E71 D73	L46-E71 HydrophobicContact CB-CB 4.37Å; L46-E71 WeakPolarHBondContact CB-O 3.33Å; L46-E71 HydrophobicContact CD2-CB 4.34Å; L46-E71 HydrophobicContact CD2-CG 4.24Å; L46-E71 PolarHBondContact N-O 3.16Å; L46-D73 HydrophobicContact CB-CB 4.33Å; L46-D73 HydrophobicContact CD1-CB 4.26Å; L46-D73 WeakPolarHBondContact CD1-OD1 3.3Å
47	V	95.5	Very high	95	Very high	86 Å²	86	50.4 Å²	50.4	52%	0.521	26%	0.263	S	S	.	.	S	Bend	trans	-121.3	118.1	178.3	179.5	0	0	0	0	108.5	E45 G49 S50	E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 3.27Å; E45-V47 VanDerWaalsContact OE2-O 3.05Å; V47-G49 PolarHBondContact O-N 2.65Å; V47-S50 WeakPolarHBondContact O-CB 3.32Å; V47-S50 PolarHBondContact O-N 2.9Å; V47-S50 PolarHBondContact O-OG 3.25Å
48	D	94	Very high	94.8	Very high	154 Å²	154	47.9 Å²	47.9	82%	0.824	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	129.3	179.6	-172.8	37.5	0	0	0	111.9	S50	D48-S50 VanDerWaalsContact C-N 3.31Å; D48-S50 PolarHBondContact O-N 3.3Å
49	G	93.7	Very high	94.6	Very high	21 Å²	21	45 Å²	45	22%	0.216	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	6.7	-177.3	0	0	0	0	0	115.6	E45 V47	E45-G49 VanDerWaalsContact CD-N 3.29Å; E45-G49 PolarHBondContact OE1-N 3.07Å; E45-G49 PolarHBondContact OE2-N 2.97Å; V47-G49 PolarHBondContact O-N 2.65Å
50	S	94.7	Very high	94.3	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.035	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-35.2	173.9	70.1	0	0	0	0	112.7	E45 V47 D48 K52 K53 F69 V70	E45-S50 WeakPolarHBondContact OE2-CA 3.34Å; E45-S50 PolarHBondContact OE2-N 2.85Å; E45-S50 PolarHBondContact OE2-OG 2.79Å; V47-S50 WeakPolarHBondContact O-CB 3.32Å; V47-S50 PolarHBondContact O-N 2.9Å; V47-S50 PolarHBondContact O-OG 3.25Å; D48-S50 VanDerWaalsContact C-N 3.31Å; D48-S50 PolarHBondContact O-N 3.3Å; S50-K52 PolarHBondContact O-N 3.25Å; S50-K53 VanDerWaalsContact O-CB 3.29Å; S50-K53 WeakPolarHBondContact O-CB 3.46Å; S50-K53 PolarHBondContact O-N 3.16Å; S50-F69 WeakPolarHBondContact CB-O 3.32Å; S50-V70 WeakPolarHBondContact OG-CG2 3.48Å
51	G	94.7	Very high	93.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-25.4	176.4	0	0	0	0	0	113.3	F40 E45 K53 V54 F55	F40-G51 WeakPolarHBondContact CZ-O 3.33Å; E45-G51 PolarHBondContact OE2-N 3.28Å; G51-K53 VanDerWaalsContact C-N 3.31Å; G51-K53 PolarHBondContact O-N 3.34Å; G51-V54 WeakPolarHBondContact O-CG2 3.27Å; G51-F55 WeakPolarHBondContact O-CD2 3.25Å
52	K	94.9	Very high	93.5	Very high	67 Å²	67	48 Å²	48	29%	0.291	25%	0.247	S	C	.	.	H	α-helix	trans	-68	-32.7	173	-65.6	179.7	-172.8	-167.9	0	111.6	F37 F40 S50 V54 F55	F37-K52 HydrophobicContact CD1-CB 4.01Å; F37-K52 HydrophobicContact CD1-CG 4.2Å; F37-K52 HydrophobicContact CE1-CB 4.37Å; F37-K52 WeakPolarHBondContact O-CE 3.34Å; F37-K52 PolarHBondContact O-NZ 3.05Å; F40-K52 HydrophobicContact CB-CG 4.34Å; F40-K52 HydrophobicContact CD1-CB 4.41Å; F40-K52 HydrophobicContact CD1-CD 4.04Å; F40-K52 HydrophobicContact CD1-CG 3.23Å; F40-K52 HydrophobicContact CE1-CB 4.37Å; F40-K52 HydrophobicContact CE1-CG 3.53Å; F40-K52 HydrophobicContact CG-CG 3.88Å; F40-K52 HydrophobicContact CZ-CG 4.38Å; F40-K52 WeakPolarHBondContact O-CE 3.5Å; F40-K52 PolarHBondContact O-NZ 3.29Å; S50-K52 PolarHBondContact O-N 3.25Å; K52-V54 VanDerWaalsContact C-N 3.29Å; K52-V54 PolarHBondContact O-N 3.49Å; K52-F55 PolarHBondContact O-N 3.09Å
53	K	93.9	Very high	93	Very high	84 Å²	84	49.4 Å²	49.4	37%	0.365	25%	0.253	S	S	.	.	H	α-helix	trans	-73.2	-18.7	-171.9	-56.4	174.8	-173.4	168.2	0	113.5	S50 G51 F55 R56 N67	S50-K53 VanDerWaalsContact O-CB 3.29Å; S50-K53 WeakPolarHBondContact O-CB 3.46Å; S50-K53 PolarHBondContact O-N 3.16Å; G51-K53 VanDerWaalsContact C-N 3.31Å; G51-K53 PolarHBondContact O-N 3.34Å; K53-F55 VanDerWaalsContact C-N 3.28Å; K53-R56 PolarHBondContact O-NH1 3.42Å; K53-N67 WeakPolarHBondContact CD-O 3.33Å
54	V	94.9	Very high	92.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.1	178.9	-48.9	0	0	0	0	112.6	G51 K52 V70 F80 V169 Y171 I172	G51-V54 WeakPolarHBondContact O-CG2 3.27Å; K52-V54 VanDerWaalsContact C-N 3.29Å; K52-V54 PolarHBondContact O-N 3.49Å; V54-V70 HydrophobicContact CG1-CB 4.17Å; V54-V70 HydrophobicContact CG1-CG1 3.7Å; V54-F80 HydrophobicContact CG2-CE1 4.41Å; V54-V169 WeakPolarHBondContact CG1-O 3.38Å; V54-Y171 WeakPolarHBondContact O-CA 3.29Å; V54-Y171 WeakPolarHBondContact O-CD2 3.16Å; V54-I172 HydrophobicContact CG2-CB 4.27Å; V54-I172 HydrophobicContact CG2-CD1 3.95Å; V54-I172 HydrophobicContact CG2-CG1 3.95Å; V54-I172 PolarHBondContact O-N 3.22Å
55	F	95.1	Very high	90.8	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.035	28%	0.283	C	S	.	.	S	Bend	trans	-92.5	101	176.4	-63.6	-84.1	0	0	0	109.9	I35 F37 F40 G51 K52 K53 F80 L82 I156 I172 L174	I35-F55 HydrophobicContact CD1-CB 3.81Å; I35-F55 HydrophobicContact CD1-CD1 3.66Å; I35-F55 HydrophobicContact CD1-CE1 4.47Å; I35-F55 HydrophobicContact CD1-CG 3.8Å; F37-F55 HydrophobicContact CE1-CB 4Å; F37-F55 HydrophobicContact CZ-CB 3.96Å; F40-F55 AromaticContact CE2-CD2 3.76Å; F40-F55 HydrophobicContact CE2-CD2 3.76Å; F40-F55 AromaticContact CE2-CE2 3.58Å; F40-F55 HydrophobicContact CE2-CE2 3.58Å; F40-F55 HydrophobicContact CE2-CZ 4.44Å; F40-F55 HydrophobicContact CZ-CD2 4.05Å; F40-F55 AromaticContact CZ-CE2 3.77Å; F40-F55 HydrophobicContact CZ-CE2 3.77Å; G51-F55 WeakPolarHBondContact O-CD2 3.25Å; K52-F55 PolarHBondContact O-N 3.09Å; K53-F55 VanDerWaalsContact C-N 3.28Å; F55-F80 HydrophobicContact CE2-CD1 4.16Å; F55-L82 HydrophobicContact CD1-CD2 3.81Å; F55-L82 HydrophobicContact CD2-CD2 4.16Å; F55-L82 HydrophobicContact CE1-CD1 4.5Å; F55-L82 HydrophobicContact CE1-CD2 3.37Å; F55-L82 HydrophobicContact CE2-CD2 3.8Å; F55-L82 HydrophobicContact CG-CD2 4.19Å; F55-L82 HydrophobicContact CZ-CD1 4Å; F55-L82 HydrophobicContact CZ-CD2 3.4Å; F55-L82 HydrophobicContact CZ-CG 4.17Å; F55-I156 HydrophobicContact CE1-CD1 4.32Å; F55-I156 HydrophobicContact CZ-CD1 4.13Å; F55-I172 HydrophobicContact CD1-CB 4.06Å; F55-I172 HydrophobicContact CD1-CG2 4.24Å; F55-I172 WeakPolarHBondContact CD1-O 3.49Å; F55-I172 HydrophobicContact CE1-CB 3.51Å; F55-I172 HydrophobicContact CE1-CD1 4.3Å; F55-I172 HydrophobicContact CE1-CG1 4.47Å; F55-I172 HydrophobicContact CE1-CG2 3.42Å; F55-I172 VanDerWaalsContact CE1-CG2 3.42Å; F55-I172 HydrophobicContact CE2-CD1 4.26Å; F55-I172 HydrophobicContact CZ-CB 3.77Å; F55-I172 HydrophobicContact CZ-CD1 3.66Å; F55-I172 HydrophobicContact CZ-CG1 4.25Å; F55-I172 HydrophobicContact CZ-CG2 3.89Å; F55-L174 HydrophobicContact CE1-CD1 4.31Å
56	R	92.8	Very high	89.7	Confident	20 Å²	20	66 Å²	66	8%	0.075	31%	0.31	C	S	.	.			trans	-148	178.1	-178	62.1	-175.4	176.9	-81.6	-4.7	111.9	Y32 K53 K60 R61 H68 Y170 Y171	Y32-R56 WeakPolarHBondContact CD1-O 3.49Å; K53-R56 PolarHBondContact O-NH1 3.42Å; R56-K60 HydrophobicContact CG-CB 4.24Å; R56-K60 PolarHBondContact NE-O 3.25Å; R56-R61 PolarHBondContact NH2-O 3.13Å; R56-H68 PolarHBondContact NH1-O 2.82Å; R56-Y170 VanDerWaalsContact CZ-O 3.22Å; R56-Y170 PolarHBondContact NH1-O 2.9Å; R56-Y170 PolarHBondContact NH2-O 2.85Å; R56-Y171 HydrophobicContact CG-CD2 3.79Å; R56-Y171 HydrophobicContact CG-CE2 3.73Å; R56-Y171 VanDerWaalsContact O-CE2 3.23Å; R56-Y171 WeakPolarHBondContact O-CE2 3.05Å; R56-Y171 PolarHBondContact O-OH 3.02Å; R56-Y171 VanDerWaalsContact O-OH 3.13Å
57	A	92.2	Very high	88.8	Confident	12 Å²	12	67.1 Å²	67.1	10%	0.099	32%	0.316	C	S	.	.			trans	-59.5	144.4	174.9	0	0	0	0	0	111.8	Y32 D59 K60 R61	Y32-A57 VanDerWaalsContact CE1-CA 3.41Å; Y32-A57 HydrophobicContact CE1-CB 3.88Å; Y32-A57 HydrophobicContact CE2-CB 4.5Å; Y32-A57 VanDerWaalsContact OH-CB 3.29Å; Y32-A57 WeakPolarHBondContact OH-CB 3.27Å; A57-D59 VanDerWaalsContact C-N 3.32Å; A57-D59 WeakPolarHBondContact CB-OD1 3.37Å; A57-D59 PolarHBondContact O-N 2.84Å; A57-K60 PolarHBondContact O-N 2.73Å; A57-R61 PolarHBondContact O-N 2.83Å
58	W	90.8	Very high	88.4	Confident	17 Å²	17	65.1 Å²	65.1	6%	0.064	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-59.8	-38.8	-175.9	176.1	-102.8	0	0	0	113.5	V25 A26 F29 K60 R61 V94 G137 Y171	V25-W58 HydrophobicContact CG1-CD2 4.13Å; V25-W58 VanDerWaalsContact CG1-CE2 3.48Å; V25-W58 HydrophobicContact CG1-CH2 4.34Å; V25-W58 HydrophobicContact CG1-CZ2 3.62Å; A26-W58 HydrophobicContact CB-CB 4.21Å; A26-W58 HydrophobicContact CB-CG 4.44Å; F29-W58 HydrophobicContact CB-CB 4.41Å; F29-W58 HydrophobicContact CB-CE3 4.08Å; F29-W58 AromaticContact CD2-CD2 3.81Å; F29-W58 HydrophobicContact CD2-CD2 3.81Å; F29-W58 AromaticContact CD2-CE3 3.25Å; F29-W58 HydrophobicContact CD2-CE3 3.25Å; F29-W58 HydrophobicContact CD2-CG 4.5Å; F29-W58 HydrophobicContact CD2-CH2 4.19Å; F29-W58 AromaticContact CD2-CZ3 3.47Å; F29-W58 HydrophobicContact CD2-CZ3 3.47Å; F29-W58 VanDerWaalsContact CD2-CZ3 3.47Å; F29-W58 HydrophobicContact CE2-CD2 4.43Å; F29-W58 AromaticContact CE2-CE3 3.81Å; F29-W58 HydrophobicContact CE2-CE3 3.81Å; F29-W58 AromaticContact CE2-CH2 3.89Å; F29-W58 HydrophobicContact CE2-CH2 3.89Å; F29-W58 AromaticContact CE2-CZ3 3.5Å; F29-W58 HydrophobicContact CE2-CZ3 3.5Å; F29-W58 VanDerWaalsContact CE2-CZ3 3.5Å; F29-W58 AromaticContact CG-CE3 3.76Å; F29-W58 HydrophobicContact CG-CE3 3.76Å; F29-W58 HydrophobicContact CG-CZ3 4.09Å; F29-W58 HydrophobicContact CZ-CZ3 4.15Å; W58-K60 PolarHBondContact O-N 2.87Å; W58-R61 VanDerWaalsContact O-CB 3.26Å; W58-R61 WeakPolarHBondContact O-CB 3.44Å; W58-R61 WeakPolarHBondContact O-CD 3.32Å; W58-R61 WeakPolarHBondContact O-CG 3.47Å; W58-R61 PolarHBondContact O-N 2.78Å; W58-R61 VanDerWaalsContact O-N 3.08Å; W58-R61 PolarHBondContact O-NH1 2.65Å; W58-R61 VanDerWaalsContact O-NH1 3.16Å; W58-V94 HydrophobicContact CH2-CG1 4.5Å; W58-V94 HydrophobicContact CZ3-CB 4.25Å; W58-V94 HydrophobicContact CZ3-CG1 4.05Å; W58-V94 HydrophobicContact CZ3-CG2 4.22Å; W58-G137 WeakPolarHBondContact CH2-O 3.38Å; W58-Y171 AromaticContact CE3-CE1 3.93Å; W58-Y171 HydrophobicContact CE3-CE1 3.93Å; W58-Y171 HydrophobicContact CZ3-CE1 4.13Å
59	D	88.7	Confident	88.4	Confident	109 Å²	109	60.6 Å²	60.6	58%	0.583	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-58.4	-30.4	173.8	57.5	-56	0	0	0	111.9	A57	A57-D59 VanDerWaalsContact C-N 3.32Å; A57-D59 WeakPolarHBondContact CB-OD1 3.37Å; A57-D59 PolarHBondContact O-N 2.84Å
60	K	89.1	Confident	88.5	Confident	113 Å²	113	59.6 Å²	59.6	49%	0.491	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-91	2	179	-59	-173.9	-179.4	176.2	0	113.6	R56 A57 W58 M62 D63	R56-K60 HydrophobicContact CG-CB 4.24Å; R56-K60 PolarHBondContact NE-O 3.25Å; A57-K60 PolarHBondContact O-N 2.73Å; W58-K60 PolarHBondContact O-N 2.87Å; K60-M62 PolarHBondContact O-N 3.37Å; K60-M62 VanDerWaalsContact O-N 3.11Å; K60-D63 WeakPolarHBondContact O-CB 3.38Å; K60-D63 PolarHBondContact O-N 2.87Å
61	R	88.3	Confident	88.5	Confident	33 Å²	33	61.8 Å²	61.8	13%	0.125	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.5	-175.3	76	-168.3	-178.1	-80	2.4	112.7	R56 A57 W58 I96 E136 Y171	R56-R61 PolarHBondContact NH2-O 3.13Å; A57-R61 PolarHBondContact O-N 2.83Å; W58-R61 VanDerWaalsContact O-CB 3.26Å; W58-R61 WeakPolarHBondContact O-CB 3.44Å; W58-R61 WeakPolarHBondContact O-CD 3.32Å; W58-R61 WeakPolarHBondContact O-CG 3.47Å; W58-R61 PolarHBondContact O-N 2.78Å; W58-R61 VanDerWaalsContact O-N 3.08Å; W58-R61 PolarHBondContact O-NH1 2.65Å; W58-R61 VanDerWaalsContact O-NH1 3.16Å; R61-I96 HydrophobicContact CB-CD1 4.09Å; R61-I96 HydrophobicContact CG-CD1 4.08Å; R61-E136 PolarHBondContact NE-O 2.81Å; R61-Y171 HydrophobicContact CB-CD1 3.89Å; R61-Y171 HydrophobicContact CB-CD2 3.75Å; R61-Y171 HydrophobicContact CB-CE1 4.05Å; R61-Y171 HydrophobicContact CB-CE2 3.9Å; R61-Y171 HydrophobicContact CB-CG 3.74Å
62	M	87.8	Confident	88.6	Confident	73 Å²	73	61.9 Å²	61.9	36%	0.36	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.2	-178.8	-59.4	-58	-93.1	0	0	114.9	K60 R64 E136	K60-M62 PolarHBondContact O-N 3.37Å; K60-M62 VanDerWaalsContact O-N 3.11Å; M62-R64 PolarHBondContact O-N 2.87Å; M62-E136 HydrophobicContact CE-CB 4.42Å; M62-E136 HydrophobicContact CE-CG 3.83Å
63	D	85.4	Confident	88.6	Confident	42 Å²	42	63 Å²	63	23%	0.225	28%	0.284	C	S	.	.			trans	-75.1	74	178.4	-174.5	14.2	0	0	0	111.7	K60 Y65 R66 H68	K60-D63 WeakPolarHBondContact O-CB 3.38Å; K60-D63 PolarHBondContact O-N 2.87Å; D63-Y65 VanDerWaalsContact C-N 3.33Å; D63-R66 WeakPolarHBondContact OD2-CD 3.39Å; D63-R66 IonicContact OD2-NE 3.37Å; D63-H68 PolarHBondContact O-ND1 2.87Å; D63-H68 IonicContact OD2-CE1 3.8Å; D63-H68 PolarHBondContact OD2-CE1 2.9Å; D63-H68 IonicContact OD2-ND1 3.94Å; D63-H68 PolarHBondContact OD2-ND1 2.87Å
64	R	78.7	Confident	88.6	Confident	64 Å²	64	64.5 Å²	64.5	24%	0.242	30%	0.3	C	S	.	.			trans	-79	-14.6	179.6	-56.8	-176.6	-145.5	-146.2	-2.5	113.2	M62 R66 V135 Y170	M62-R64 PolarHBondContact O-N 2.87Å; R64-R66 VanDerWaalsContact C-N 3.33Å; R64-R66 PolarHBondContact O-N 3.41Å; R64-V135 VanDerWaalsContact NH2-CG1 3.32Å; R64-V135 PolarHBondContact NH2-O 3.48Å; R64-Y170 HydrophobicContact CB-CD1 4.34Å; R64-Y170 HydrophobicContact CB-CE1 4.36Å; R64-Y170 HydrophobicContact CG-CD1 3.95Å; R64-Y170 HydrophobicContact CG-CE1 4.25Å; R64-Y170 HydrophobicContact CG-CG 4.37Å
65	Y	70.2	Confident	88.5	Confident	215 Å²	215	67.2 Å²	67.2	84%	0.843	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.1	-168.6	-65.6	-76.6	0	0	0	114.3	D63	D63-Y65 VanDerWaalsContact C-N 3.33Å
66	R	71.8	Confident	88.5	Confident	180 Å²	180	70.1 Å²	70.1	68%	0.679	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	26.9	-173.7	-64	-174.5	-180	-149.1	0.4	114.5	D63 R64 H68	D63-R66 WeakPolarHBondContact OD2-CD 3.39Å; D63-R66 IonicContact OD2-NE 3.37Å; R64-R66 VanDerWaalsContact C-N 3.33Å; R64-R66 PolarHBondContact O-N 3.41Å; R66-H68 VanDerWaalsContact CB-CE1 3.44Å; R66-H68 WeakPolarHBondContact CB-CE1 3.34Å; R66-H68 PolarHBondContact O-N 2.87Å
67	N	76.9	Confident	88.8	Confident	106 Å²	106	71.3 Å²	71.3	57%	0.567	33%	0.334	S	S	*	.			trans	53.9	36.5	-172.6	-59.3	-13.7	0	0	0	112.2	K53 F69	K53-N67 WeakPolarHBondContact CD-O 3.33Å; N67-F69 HydrophobicContact CB-CE1 4.16Å; N67-F69 PolarHBondContact O-N 2.78Å; N67-F69 VanDerWaalsContact O-N 3.09Å
68	H	87.7	Confident	89	Confident	45 Å²	45	70.8 Å²	70.8	21%	0.208	33%	0.33	C	S	.	.			trans	-85.1	57	173.9	-62.2	148.2	0	0	0	110.5	R56 D63 R66 Y170	R56-H68 PolarHBondContact NH1-O 2.82Å; D63-H68 PolarHBondContact O-ND1 2.87Å; D63-H68 IonicContact OD2-CE1 3.8Å; D63-H68 PolarHBondContact OD2-CE1 2.9Å; D63-H68 IonicContact OD2-ND1 3.94Å; D63-H68 PolarHBondContact OD2-ND1 2.87Å; R66-H68 VanDerWaalsContact CB-CE1 3.44Å; R66-H68 WeakPolarHBondContact CB-CE1 3.34Å; R66-H68 PolarHBondContact O-N 2.87Å; H68-Y170 VanDerWaalsContact O-O 3.06Å
69	F	93.7	Very high	89.4	Confident	58 Å²	58	70 Å²	70	25%	0.254	33%	0.327	S	S	.	.			trans	-142	160.6	174.4	66.8	-88.9	0	0	0	108.9	S50 N67 E71 I168 V169 Y170	S50-F69 WeakPolarHBondContact CB-O 3.32Å; N67-F69 HydrophobicContact CB-CE1 4.16Å; N67-F69 PolarHBondContact O-N 2.78Å; N67-F69 VanDerWaalsContact O-N 3.09Å; F69-E71 HydrophobicContact CD2-CB 4.28Å; F69-E71 HydrophobicContact CE2-CB 4.12Å; F69-I168 HydrophobicContact CB-CG2 4.4Å; F69-I168 HydrophobicContact CD2-CG2 4.25Å; F69-V169 VanDerWaalsContact CA-O 3.25Å; F69-V169 WeakPolarHBondContact CA-O 3.47Å; F69-V169 WeakPolarHBondContact CB-O 3.18Å; F69-Y170 HydrophobicContact CB-CD1 3.6Å; F69-Y170 HydrophobicContact CB-CE1 3.85Å; F69-Y170 HydrophobicContact CB-CG 4.45Å; F69-Y170 HydrophobicContact CD1-CE1 4.38Å; F69-Y170 HydrophobicContact CG-CD1 4.45Å; F69-Y170 HydrophobicContact CG-CE1 4.25Å
70	V	95.6	Very high	89.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.7	165.3	59.4	0	0	0	0	107.4	E45 S50 V54 L78 F80 I168 V169	E45-V70 HydrophobicContact CB-CG2 3.74Å; S50-V70 WeakPolarHBondContact OG-CG2 3.48Å; V54-V70 HydrophobicContact CG1-CB 4.17Å; V54-V70 HydrophobicContact CG1-CG1 3.7Å; V70-L78 HydrophobicContact CG1-CD1 4.32Å; V70-L78 HydrophobicContact CG2-CD2 4.19Å; V70-F80 HydrophobicContact CG1-CE1 3.86Å; V70-F80 HydrophobicContact CG1-CZ 3.7Å; V70-I168 WeakPolarHBondContact O-CA 3.34Å; V70-V169 HydrophobicContact CG1-CB 3.73Å; V70-V169 HydrophobicContact CG1-CG2 4.4Å; V70-V169 PolarHBondContact N-O 2.98Å; V70-V169 PolarHBondContact O-N 2.88Å
71	E	95.8	Very high	90.2	Very high	52 Å²	52	59.5 Å²	59.5	24%	0.243	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.3	171.2	179.8	170.1	-170.6	0	0	107.4	L46 F69 T166 T167 I168	L46-E71 HydrophobicContact CB-CB 4.37Å; L46-E71 WeakPolarHBondContact CB-O 3.33Å; L46-E71 HydrophobicContact CD2-CB 4.34Å; L46-E71 HydrophobicContact CD2-CG 4.24Å; L46-E71 PolarHBondContact N-O 3.16Å; F69-E71 HydrophobicContact CD2-CB 4.28Å; F69-E71 HydrophobicContact CE2-CB 4.12Å; E71-T166 PolarHBondContact OE1-OG1 3.28Å; E71-T167 WeakPolarHBondContact CA-O 3.36Å; E71-I168 HydrophobicContact CB-CG1 4.22Å; E71-I168 HydrophobicContact CG-CG1 4.01Å
72	S	97	Very high	90.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-78.8	148.8	175.8	65.1	0	0	0	0	112.4	N44 D75 T166 T167	N44-S72 WeakPolarHBondContact O-CA 3.46Å; S72-D75 WeakPolarHBondContact CB-O 3.45Å; S72-D75 PolarHBondContact OG-O 3Å; S72-T166 WeakPolarHBondContact O-CG2 3.35Å; S72-T166 VanDerWaalsContact OG-CA 3.32Å; S72-T166 WeakPolarHBondContact OG-CA 3.26Å; S72-T167 PolarHBondContact N-O 3.07Å; S72-T167 PolarHBondContact OG-N 3.18Å
73	D	95.2	Very high	91	Very high	92 Å²	92	55.3 Å²	55.3	49%	0.492	26%	0.259	S	S	.	.	S	Bend	trans	-92	-59.7	-173.1	-170.8	24.7	0	0	0	112.9	N44 L46	N44-D73 PolarHBondContact O-N 3.15Å; N44-D73 VanDerWaalsContact O-N 3.11Å; L46-D73 HydrophobicContact CB-CB 4.33Å; L46-D73 HydrophobicContact CD1-CB 4.26Å; L46-D73 WeakPolarHBondContact CD1-OD1 3.3Å
74	T	92.2	Very high	91.5	Very high	114 Å²	114	54 Å²	54	70%	0.699	25%	0.251	S	S	*	.	S	Bend	trans	-89.5	-40.3	-168.6	-59.3	0	0	0	0	113	N44	N44-T74 PolarHBondContact OD1-N 2.76Å
75	D	94.1	Very high	92.1	Very high	58 Å²	58	53.9 Å²	53.9	31%	0.31	26%	0.264	S	S	.	.	S	Bend	trans	-150.6	-175.2	-176.1	57.8	28.8	0	0	0	108.9	N44 S72 E77 D165	N44-D75 PolarHBondContact ND2-O 2.83Å; N44-D75 PolarHBondContact ND2-OD1 2.89Å; S72-D75 WeakPolarHBondContact CB-O 3.45Å; S72-D75 PolarHBondContact OG-O 3Å; D75-E77 PolarHBondContact O-N 3.41Å; D75-E77 VanDerWaalsContact OD1-CB 3.26Å; D75-E77 WeakPolarHBondContact OD1-CB 3.18Å; D75-E77 PolarHBondContact OD1-N 3.45Å; D75-D165 CarbonylContact C-O 3.55Å; D75-D165 VanDerWaalsContact C-O 3.26Å
76	E	95.5	Very high	93.2	Very high	69 Å²	69	43.9 Å²	43.9	32%	0.322	23%	0.226	S	C	.	.	S	Bend	trans	-75.5	-3.4	-179.2	70.5	-89.3	-151.3	0	0	114.7	N161 D165 T167	E76-N161 HydrophobicContact CB-CB 4.36Å; E76-N161 VanDerWaalsContact CB-ND2 3.28Å; E76-N161 WeakPolarHBondContact CB-ND2 3.4Å; E76-D165 PolarHBondContact N-O 2.82Å; E76-T167 WeakPolarHBondContact CB-OG1 3.09Å; E76-T167 VanDerWaalsContact O-CB 3.31Å; E76-T167 WeakPolarHBondContact O-CB 3.27Å; E76-T167 PolarHBondContact O-OG1 3.45Å
77	E	97.5	Very high	94.2	Very high	45 Å²	45	35.8 Å²	35.8	21%	0.21	20%	0.196	C	C	.	.			trans	-83.1	125.6	-171	-170.2	172.4	-149.8	0	0	112	N44 D75 F118 H157 I158	N44-E77 WeakPolarHBondContact CB-O 3.15Å; N44-E77 PolarHBondContact ND2-O 3.11Å; D75-E77 PolarHBondContact O-N 3.41Å; D75-E77 VanDerWaalsContact OD1-CB 3.26Å; D75-E77 WeakPolarHBondContact OD1-CB 3.18Å; D75-E77 PolarHBondContact OD1-N 3.45Å; E77-F118 HydrophobicContact CB-CE1 4.44Å; E77-F118 VanDerWaalsContact CD-CD1 3.42Å; E77-F118 HydrophobicContact CG-CD1 3.8Å; E77-F118 HydrophobicContact CG-CE1 3.6Å; E77-H157 IonicContact OE1-CD2 3.68Å; E77-H157 IonicContact OE1-CE1 3.4Å; E77-H157 PolarHBondContact OE1-CE1 2.78Å; E77-H157 IonicContact OE1-NE2 3.35Å; E77-H157 PolarHBondContact OE1-NE2 2.94Å; E77-I158 CarbonylContact C-O 3.59Å; E77-I158 VanDerWaalsContact CA-O 3.3Å; E77-I158 WeakPolarHBondContact CA-O 3.28Å
78	L	97.6	Very high	95	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.7	174.8	-73.1	168.5	0	0	0	111	N44 V70 F80 I158 T167 V169	N44-L78 WeakPolarHBondContact O-CD2 3.38Å; V70-L78 HydrophobicContact CG1-CD1 4.32Å; V70-L78 HydrophobicContact CG2-CD2 4.19Å; L78-F80 HydrophobicContact CB-CE2 3.94Å; L78-F80 HydrophobicContact CB-CZ 4.23Å; L78-F80 HydrophobicContact CD1-CZ 4.2Å; L78-I158 HydrophobicContact CB-CB 4.28Å; L78-I158 PolarHBondContact N-O 2.99Å; L78-I158 PolarHBondContact O-N 2.94Å; L78-T167 HydrophobicContact CD1-CG2 3.89Å; L78-V169 HydrophobicContact CD1-CG2 4.31Å
79	L	97.8	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	118.7	173.6	-177.3	61	0	0	0	110.7	C42 L43 M116 F118 T121 H157	C42-L79 CarbonylContact C-O 3.26Å; C42-L79 WeakPolarHBondContact CA-O 3.23Å; L43-L79 HydrophobicContact CB-CB 4.22Å; L43-L79 HydrophobicContact CD1-CD2 3.98Å; L43-L79 HydrophobicContact CG-CB 4.49Å; L43-L79 PolarHBondContact N-O 3Å; L43-L79 PolarHBondContact O-N 2.83Å; L79-M116 HydrophobicContact CD2-CB 4.31Å; L79-M116 HydrophobicContact CD2-CG 4.36Å; L79-M116 WeakPolarHBondContact CD2-O 3.31Å; L79-F118 HydrophobicContact CB-CD1 4.19Å; L79-F118 HydrophobicContact CB-CE1 3.58Å; L79-F118 HydrophobicContact CB-CZ 4.14Å; L79-F118 HydrophobicContact CD2-CD1 4.41Å; L79-T121 HydrophobicContact CD1-CG2 4.31Å; L79-T121 HydrophobicContact CD2-CG2 4.09Å; L79-H157 HydrophobicContact CD1-CB 3.8Å
80	F	98	Very high	95.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.5	175	-53.3	-89	0	0	0	109.3	F40 C42 V54 F55 V70 L78 L82 S155 I156 I158 I172	F40-F80 HydrophobicContact CZ-CB 4.48Å; F40-F80 HydrophobicContact CZ-CD1 4.01Å; C42-F80 HydrophobicContact CB-CD1 4.22Å; C42-F80 VanDerWaalsContact SG-CD1 3.57Å; C42-F80 VanDerWaalsContact SG-CE1 3.51Å; V54-F80 HydrophobicContact CG2-CE1 4.41Å; F55-F80 HydrophobicContact CE2-CD1 4.16Å; V70-F80 HydrophobicContact CG1-CE1 3.86Å; V70-F80 HydrophobicContact CG1-CZ 3.7Å; L78-F80 HydrophobicContact CB-CE2 3.94Å; L78-F80 HydrophobicContact CB-CZ 4.23Å; L78-F80 HydrophobicContact CD1-CZ 4.2Å; F80-L82 HydrophobicContact CB-CD1 3.81Å; F80-S155 CarbonylContact O-C 3.54Å; F80-S155 WeakPolarHBondContact O-CA 3.4Å; F80-I156 HydrophobicContact CB-CB 4.21Å; F80-I156 HydrophobicContact CD2-CB 4.12Å; F80-I156 HydrophobicContact CD2-CG2 4.36Å; F80-I156 WeakPolarHBondContact CD2-O 3.47Å; F80-I156 PolarHBondContact N-O 3.2Å; F80-I156 PolarHBondContact O-N 2.82Å; F80-I158 HydrophobicContact CE2-CD1 3.82Å; F80-I158 HydrophobicContact CE2-CG1 4.4Å; F80-I172 HydrophobicContact CD2-CD1 4.27Å; F80-I172 HydrophobicContact CE2-CD1 4.11Å; F80-I172 HydrophobicContact CZ-CD1 4.29Å
81	N	97.6	Very high	95.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.011	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114	173	-72	-49.9	0	0	0	109.1	F40 T41 P83 M116 S155	F40-N81 WeakPolarHBondContact CD2-O 3.25Å; T41-N81 PolarHBondContact N-O 2.83Å; T41-N81 PolarHBondContact O-N 2.76Å; T41-N81 WeakPolarHBondContact OG1-CB 3.32Å; T41-N81 PolarHBondContact OG1-ND2 2.79Å; N81-P83 WeakPolarHBondContact O-CD 3.08Å; N81-M116 PolarHBondContact ND2-N 3.33Å; N81-M116 PolarHBondContact ND2-O 2.82Å; N81-M116 WeakPolarHBondContact OD1-CB 3.35Å; N81-M116 PolarHBondContact OD1-N 3.45Å; N81-S155 WeakPolarHBondContact OD1-CB 3.41Å; N81-S155 PolarHBondContact OD1-OG 3.31Å
82	L	96.5	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	95.4	-172.2	-63.1	107.1	0	0	0	111	I35 F40 F55 F80 H153 L154 I156	I35-L82 HydrophobicContact CD1-CD2 3.65Å; I35-L82 HydrophobicContact CG1-CD2 4.19Å; I35-L82 HydrophobicContact CG2-CD2 4.35Å; F40-L82 HydrophobicContact CD2-CD2 4.14Å; F40-L82 HydrophobicContact CD2-CG 3.91Å; F40-L82 HydrophobicContact CE2-CD1 4.49Å; F40-L82 HydrophobicContact CE2-CD2 3.77Å; F40-L82 HydrophobicContact CE2-CG 3.64Å; F55-L82 HydrophobicContact CD1-CD2 3.81Å; F55-L82 HydrophobicContact CD2-CD2 4.16Å; F55-L82 HydrophobicContact CE1-CD1 4.5Å; F55-L82 HydrophobicContact CE1-CD2 3.37Å; F55-L82 HydrophobicContact CE2-CD2 3.8Å; F55-L82 HydrophobicContact CG-CD2 4.19Å; F55-L82 HydrophobicContact CZ-CD1 4Å; F55-L82 HydrophobicContact CZ-CD2 3.4Å; F55-L82 HydrophobicContact CZ-CG 4.17Å; F80-L82 HydrophobicContact CB-CD1 3.81Å; L82-H153 CarbonylContact O-C 3.51Å; L82-H153 WeakPolarHBondContact O-CA 3.37Å; L82-L154 WeakPolarHBondContact CA-O 3.2Å; L82-L154 HydrophobicContact CB-CB 4.27Å; L82-L154 VanDerWaalsContact CB-O 3.32Å; L82-L154 WeakPolarHBondContact CB-O 3.15Å; L82-L154 HydrophobicContact CD1-CD2 4.49Å; L82-L154 WeakPolarHBondContact CD1-O 3.45Å; L82-L154 PolarHBondContact N-O 3.48Å; L82-L154 PolarHBondContact O-N 3.03Å; L82-I156 HydrophobicContact CD1-CD1 3.83Å; L82-I156 HydrophobicContact CD1-CG1 3.8Å
83	P	96.2	Very high	95.4	Very high	18 Å²	18	33 Å²	33	12%	0.117	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	138.8	163.3	25.3	-25.4	0	0	0	109.8	D36 N39 N81	D36-P83 HydrophobicContact CB-CB 4.2Å; D36-P83 HydrophobicContact CB-CG 4.07Å; D36-P83 PolarHBondContact N-O 2.65Å; N39-P83 HydrophobicContact CB-CB 4.44Å; N39-P83 HydrophobicContact CB-CG 3.66Å; N81-P83 WeakPolarHBondContact O-CD 3.08Å
84	F	95.4	Very high	95.4	Very high	14 Å²	14	28.7 Å²	28.7	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	145.9	169.6	-67.7	-79.3	0	0	0	109.9	Y34 I35 G86 V88 L90 V151 H152 L154 L174	Y34-F84 CarbonylContact O-C 3.54Å; Y34-F84 VanDerWaalsContact O-CA 3.29Å; Y34-F84 WeakPolarHBondContact O-CA 3.4Å; I35-F84 HydrophobicContact CG1-CD1 4.15Å; I35-F84 HydrophobicContact CG1-CE1 3.8Å; F84-G86 WeakPolarHBondContact CB-O 3.29Å; F84-G86 PolarHBondContact O-N 3.28Å; F84-V88 HydrophobicContact CB-CG1 4.41Å; F84-V88 HydrophobicContact CD1-CG1 3.9Å; F84-V88 HydrophobicContact CD1-CG2 4.11Å; F84-V88 HydrophobicContact CD2-CG2 3.76Å; F84-V88 HydrophobicContact CE1-CG1 4.36Å; F84-V88 HydrophobicContact CE1-CG2 4.07Å; F84-V88 HydrophobicContact CE2-CG2 3.71Å; F84-V88 HydrophobicContact CG-CG1 4.1Å; F84-V88 HydrophobicContact CG-CG2 3.96Å; F84-V88 HydrophobicContact CZ-CG2 3.88Å; F84-L90 HydrophobicContact CZ-CD2 4.49Å; F84-V151 HydrophobicContact CD2-CG1 4.08Å; F84-V151 HydrophobicContact CE2-CG1 3.8Å; F84-H152 PolarHBondContact N-O 3.45Å; F84-L154 HydrophobicContact CE2-CB 3.73Å; F84-L154 HydrophobicContact CZ-CB 4.37Å; F84-L174 HydrophobicContact CE1-CD1 4.32Å; F84-L174 HydrophobicContact CZ-CD1 3.87Å
85	A	92.7	Very high	95.5	Very high	62 Å²	62	23.6 Å²	23.6	51%	0.512	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	30.8	173.7	0	0	0	0	0	113.1	Y34 Y178	Y34-A85 PolarHBondContact O-N 2.71Å; A85-Y178 PolarHBondContact O-OH 2.74Å
86	G	91.7	Very high	95.6	Very high	5 Å²	5	20.9 Å²	20.9	5%	0.052	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.7	-165.6	-175.8	0	0	0	0	0	111.3	F84 G180	F84-G86 WeakPolarHBondContact CB-O 3.29Å; F84-G86 PolarHBondContact O-N 3.28Å; G86-G180 CarbonylContact C-O 3.53Å; G86-G180 VanDerWaalsContact CA-O 3.29Å; G86-G180 WeakPolarHBondContact CA-O 3.47Å
87	I	93.1	Very high	95.4	Very high	10 Å²	10	18 Å²	18	5%	0.051	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.7	179	-58.1	-171.9	0	0	0	109.5	D150 V151 V179 G180 Q182 P187	I87-D150 HydrophobicContact CG2-CB 4.26Å; I87-V151 WeakPolarHBondContact CA-O 3.49Å; I87-V179 HydrophobicContact CB-CB 4.19Å; I87-V179 HydrophobicContact CG2-CB 4.28Å; I87-V179 HydrophobicContact CG2-CG2 4.2Å; I87-V179 WeakPolarHBondContact O-CB 3.43Å; I87-V179 PolarHBondContact O-N 3.44Å; I87-G180 PolarHBondContact N-O 2.82Å; I87-Q182 HydrophobicContact CD1-CG 4.24Å; I87-Q182 HydrophobicContact CG1-CB 4.27Å; I87-Q182 HydrophobicContact CG1-CG 4.43Å; I87-P187 HydrophobicContact CD1-CB 3.79Å; I87-P187 HydrophobicContact CD1-CG 3.85Å
88	V	94.6	Very high	95	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.8	172.6	-57.3	0	0	0	0	111.9	L31 F84 L90 V151 Y177 Y178	L31-V88 HydrophobicContact CD1-CB 4.46Å; L31-V88 HydrophobicContact CD2-CB 4.46Å; L31-V88 HydrophobicContact CD2-CG1 4.16Å; F84-V88 HydrophobicContact CB-CG1 4.41Å; F84-V88 HydrophobicContact CD1-CG1 3.9Å; F84-V88 HydrophobicContact CD1-CG2 4.11Å; F84-V88 HydrophobicContact CD2-CG2 3.76Å; F84-V88 HydrophobicContact CE1-CG1 4.36Å; F84-V88 HydrophobicContact CE1-CG2 4.07Å; F84-V88 HydrophobicContact CE2-CG2 3.71Å; F84-V88 HydrophobicContact CG-CG1 4.1Å; F84-V88 HydrophobicContact CG-CG2 3.96Å; F84-V88 HydrophobicContact CZ-CG2 3.88Å; V88-L90 HydrophobicContact CG2-CD2 3.93Å; V88-L90 HydrophobicContact CG2-CG 4.22Å; V88-V151 HydrophobicContact CG2-CB 3.81Å; V88-V151 HydrophobicContact CG2-CG1 4.26Å; V88-V151 PolarHBondContact N-O 2.84Å; V88-V151 PolarHBondContact O-N 3.41Å; V88-Y177 CarbonylContact C-O 3.35Å; V88-Y177 VanDerWaalsContact CA-O 3.27Å; V88-Y177 WeakPolarHBondContact CA-O 3Å; V88-Y178 HydrophobicContact CG1-CD2 3.89Å
89	K	95.1	Very high	94.3	Very high	89 Å²	89	19.5 Å²	19.5	39%	0.387	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.5	167.7	-67.6	-175.3	177.7	-180	0	108.4	F148 S149 G176 Y177 V179	K89-F148 CarbonylContact C-O 3.54Å; K89-F148 VanDerWaalsContact CA-O 3.25Å; K89-F148 WeakPolarHBondContact CA-O 3.25Å; K89-S149 WeakPolarHBondContact CG-O 2.91Å; K89-G176 CarbonylContact O-C 3.56Å; K89-G176 WeakPolarHBondContact O-CA 3.32Å; K89-Y177 PolarHBondContact N-O 3.4Å; K89-Y177 PolarHBondContact O-N 3.26Å; K89-V179 HydrophobicContact CD-CG2 4.16Å; K89-V179 HydrophobicContact CG-CG2 3.78Å
90	L	95.9	Very high	93.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137	178.4	-55.6	172.7	0	0	0	111.3	L31 F84 V88 L143 F148 V151 L154 L174	L31-L90 HydrophobicContact CD1-CD2 3.42Å; L31-L90 VanDerWaalsContact CD1-CD2 3.42Å; F84-L90 HydrophobicContact CZ-CD2 4.49Å; V88-L90 HydrophobicContact CG2-CD2 3.93Å; V88-L90 HydrophobicContact CG2-CG 4.22Å; L90-L143 HydrophobicContact CB-CD2 3.79Å; L90-L143 HydrophobicContact CD1-CD2 4.03Å; L90-F148 HydrophobicContact CB-CB 3.88Å; L90-F148 HydrophobicContact CB-CG 4.45Å; L90-F148 HydrophobicContact CD1-CD1 3.97Å; L90-F148 HydrophobicContact CG-CB 4.49Å; L90-F148 PolarHBondContact N-O 2.92Å; L90-V151 HydrophobicContact CD1-CG1 4.29Å; L90-V151 HydrophobicContact CD1-CG2 4.02Å; L90-V151 HydrophobicContact CG-CG2 4.13Å; L90-L154 HydrophobicContact CD1-CD1 3.89Å; L90-L154 HydrophobicContact CD1-CD2 3.83Å; L90-L154 HydrophobicContact CD1-CG 4.38Å; L90-L174 HydrophobicContact CD2-CB 4.42Å
91	K	95	Very high	93.4	Very high	49 Å²	49	28.6 Å²	28.6	21%	0.213	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-51.1	178.7	-74.9	-175.1	173	179.9	0	112.8	L143 M145 D175 Y177	K91-L143 PolarHBondContact O-N 3.07Å; K91-M145 HydrophobicContact CD-CE 4.25Å; K91-M145 HydrophobicContact CD-SD 4.39Å; K91-M145 HydrophobicContact CG-CE 3.7Å; K91-M145 HydrophobicContact CG-CG 4.01Å; K91-M145 HydrophobicContact CG-SD 3.78Å; K91-D175 PolarHBondContact N-O 3.35Å; K91-Y177 HydrophobicContact CD-CE2 4.27Å; K91-Y177 PolarHBondContact NZ-OH 2.83Å
92	K	95.7	Very high	93.2	Very high	67 Å²	67	29.4 Å²	29.4	29%	0.291	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.7	-177.1	-54.3	176.6	-176.7	178.2	0	110.1	M28 P140 Y141 L143 D175	M28-K92 HydrophobicContact CE-CD 4.4Å; K92-P140 HydrophobicContact CB-CB 4.41Å; K92-P140 HydrophobicContact CD-CB 4.14Å; K92-Y141 CarbonylContact C-O 3.5Å; K92-Y141 WeakPolarHBondContact CA-O 3.32Å; K92-L143 VanDerWaalsContact CA-CD1 3.45Å; K92-D175 HydrophobicContact CB-CB 4.01Å; K92-D175 PolarHBondContact N-O 3.22Å; K92-D175 PolarHBondContact O-N 3.26Å
93	M	95.6	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.1	172	177.4	179.8	76.9	0	0	108.2	L109 F129 Y141 L143 I156 I172 G173 L174	M93-L109 HydrophobicContact CE-CD2 4.36Å; M93-L109 HydrophobicContact SD-CD2 4.09Å; M93-F129 HydrophobicContact CE-CD2 4.14Å; M93-F129 HydrophobicContact CE-CE2 4.31Å; M93-Y141 PolarHBondContact N-O 3.02Å; M93-Y141 WeakPolarHBondContact O-CD2 3.16Å; M93-Y141 PolarHBondContact O-N 3.12Å; M93-L143 HydrophobicContact CB-CD1 3.78Å; M93-L143 VanDerWaalsContact N-CD1 3.34Å; M93-I156 HydrophobicContact SD-CD1 4.13Å; M93-I172 HydrophobicContact CG-CG2 4.26Å; M93-I172 HydrophobicContact SD-CG2 4.41Å; M93-G173 CarbonylContact C-O 3.51Å; M93-G173 VanDerWaalsContact CA-O 3.28Å; M93-G173 WeakPolarHBondContact CA-O 3.31Å; M93-L174 HydrophobicContact CB-CD2 4.2Å; M93-L174 HydrophobicContact CG-CD2 3.92Å; M93-L174 HydrophobicContact SD-CD2 4.34Å
94	V	95.3	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.1	167.8	166.1	0	0	0	0	107.6	F29 W58 I96 G137 P140 Y171 I172 G173	F29-V94 HydrophobicContact CE1-CB 3.97Å; F29-V94 HydrophobicContact CE1-CG2 3.54Å; F29-V94 HydrophobicContact CE2-CG2 4.14Å; F29-V94 HydrophobicContact CZ-CB 4.14Å; F29-V94 HydrophobicContact CZ-CG2 3.29Å; W58-V94 HydrophobicContact CH2-CG1 4.5Å; W58-V94 HydrophobicContact CZ3-CB 4.25Å; W58-V94 HydrophobicContact CZ3-CG1 4.05Å; W58-V94 HydrophobicContact CZ3-CG2 4.22Å; V94-I96 HydrophobicContact CG1-CG1 4.37Å; V94-G137 VanDerWaalsContact CG1-CA 3.5Å; V94-P140 HydrophobicContact CG2-CB 3.77Å; V94-Y171 HydrophobicContact CG1-CD1 4.44Å; V94-I172 CarbonylContact O-C 3.53Å; V94-I172 WeakPolarHBondContact O-CA 3.26Å; V94-G173 PolarHBondContact N-O 3.37Å; V94-G173 PolarHBondContact O-N 3.24Å
95	L	95.2	Very high	93.1	Very high	8 Å²	8	33 Å²	33	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.4	174.8	-173.2	153.8	0	0	0	108.6	P104 L131 I158 V169 Y171 I172	L95-P104 HydrophobicContact CD1-CG 4.46Å; L95-P104 HydrophobicContact CD2-CG 3.32Å; L95-L131 HydrophobicContact CD1-CD1 4.21Å; L95-L131 HydrophobicContact CD2-CD1 4.36Å; L95-I158 HydrophobicContact CD1-CD1 3.92Å; L95-V169 HydrophobicContact CD2-CG1 4.35Å; L95-V169 HydrophobicContact CG-CG1 4.2Å; L95-Y171 WeakPolarHBondContact CA-O 3.16Å; L95-I172 HydrophobicContact CD1-CD1 4.32Å; L95-I172 HydrophobicContact CD1-CG1 4.2Å; L95-I172 HydrophobicContact CG-CG1 4.19Å
96	I	94.8	Very high	93.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.5	172.2	-53.8	178.2	0	0	0	107.6	R61 V94 Y170 Y171	R61-I96 HydrophobicContact CB-CD1 4.09Å; R61-I96 HydrophobicContact CG-CD1 4.08Å; V94-I96 HydrophobicContact CG1-CG1 4.37Å; I96-Y170 HydrophobicContact CG2-CD2 4.5Å; I96-Y170 PolarHBondContact O-N 3.3Å; I96-Y171 HydrophobicContact CD1-CD1 4.05Å; I96-Y171 HydrophobicContact CD1-CG 4.32Å; I96-Y171 HydrophobicContact CG1-CD1 4.2Å; I96-Y171 PolarHBondContact N-O 3.16Å; I96-Y171 PolarHBondContact O-N 3.17Å
97	G	92.7	Very high	93.6	Very high	9 Å²	9	30.8 Å²	30.8	9%	0.093	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	179.6	-178.6	0	0	0	0	0	114.2	I168 Y170	G97-I168 CarbonylContact C-O 3.45Å; G97-I168 WeakPolarHBondContact CA-O 3.44Å; G97-Y170 WeakPolarHBondContact O-CD2 3.34Å
98	G	88.2	Confident	93.8	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.021	17%	0.172	C	C	.	.			trans	-53.2	172.1	168.7	0	0	0	0	0	114.3	R103 I168	G98-R103 VanDerWaalsContact O-CB 3.31Å; G98-R103 WeakPolarHBondContact O-CB 3.33Å; G98-I168 PolarHBondContact N-O 3.43Å
99	C	83.3	Confident	93.9	Very high	74 Å²	74	33.2 Å²	33.2	50%	0.5	17%	0.172	S	C	.	.	S	Bend	trans	-86	152.4	171.4	-65.8	0	0	0	0	110.4	E101 S102	C99-E101 PolarHBondContact O-N 3.1Å; C99-S102 PolarHBondContact O-N 2.86Å; C99-S102 PolarHBondContact O-OG 2.8Å
100	A	86.1	Confident	94	Very high	70 Å²	70	29 Å²	29	58%	0.579	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	54.1	-117.1	173.4	0	0	0	0	0	113.9	R103	A100-R103 VanDerWaalsContact O-CD 3.32Å; A100-R103 WeakPolarHBondContact O-CD 3.47Å; A100-R103 WeakPolarHBondContact O-CG 3.33Å
101	E	91.2	Very high	94	Very high	121 Å²	121	30.6 Å²	30.6	57%	0.565	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-82.5	-25.1	-170.7	-64.8	176.7	174	0	0	113	C99 R103 A162 G163 A164	C99-E101 PolarHBondContact O-N 3.1Å; E101-R103 PolarHBondContact O-N 2.94Å; E101-A162 CarbonylContact O-C 3.42Å; E101-A162 WeakPolarHBondContact O-CA 3.32Å; E101-A162 WeakPolarHBondContact O-CB 3.47Å; E101-A162 PolarHBondContact O-N 3.42Å; E101-G163 PolarHBondContact O-N 3.37Å; E101-A164 HydrophobicContact CB-CB 3.88Å; E101-A164 PolarHBondContact O-N 3.03Å
102	S	92.6	Very high	94	Very high	19 Å²	19	30.4 Å²	30.4	13%	0.133	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-73.7	-4.1	178.1	66.2	0	0	0	0	114.6	C99 T166 T167 I168	C99-S102 PolarHBondContact O-N 2.86Å; C99-S102 PolarHBondContact O-OG 2.8Å; S102-T166 WeakPolarHBondContact CA-O 3.06Å; S102-T167 WeakPolarHBondContact O-CA 3.33Å; S102-I168 PolarHBondContact O-N 2.83Å
103	R	93.5	Very high	93.9	Very high	76 Å²	76	31.4 Å²	31.4	29%	0.287	16%	0.164	S	C	.	.	S	Bend	trans	-75.8	139	-178	79.5	-171.5	-178.7	-161.2	-2.1	110.5	G98 A100 E101 T105 N161 A162	G98-R103 VanDerWaalsContact O-CB 3.31Å; G98-R103 WeakPolarHBondContact O-CB 3.33Å; A100-R103 VanDerWaalsContact O-CD 3.32Å; A100-R103 WeakPolarHBondContact O-CD 3.47Å; A100-R103 WeakPolarHBondContact O-CG 3.33Å; E101-R103 PolarHBondContact O-N 2.94Å; R103-T105 PolarHBondContact O-N 2.85Å; R103-N161 CarbonylContact O-C 3.36Å; R103-N161 WeakPolarHBondContact O-CA 3.3Å; R103-N161 WeakPolarHBondContact O-CB 3.16Å; R103-A162 HydrophobicContact CG-CB 3.76Å; R103-A162 PolarHBondContact O-N 2.88Å
104	P	96.4	Very high	93.7	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.032	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	136	172.2	30.9	-35	0	0	0	110.3	L95 L131 I158 T167 V169	L95-P104 HydrophobicContact CD1-CG 4.46Å; L95-P104 HydrophobicContact CD2-CG 3.32Å; P104-L131 HydrophobicContact CB-CD1 3.83Å; P104-L131 HydrophobicContact CG-CD1 4.04Å; P104-I158 HydrophobicContact CB-CD1 4.14Å; P104-I158 HydrophobicContact CB-CG2 3.5Å; P104-T167 HydrophobicContact CB-CG2 4.02Å; P104-T167 HydrophobicContact CG-CG2 4.5Å; P104-V169 HydrophobicContact CG-CG2 4.27Å
105	T	96.4	Very high	93.5	Very high	25 Å²	25	40.9 Å²	40.9	15%	0.153	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-14.3	179.3	55.3	0	0	0	0	112.4	R103 L131 R160 N161 A162	R103-T105 PolarHBondContact O-N 2.85Å; T105-L131 PolarHBondContact O-N 3.4Å; T105-R160 PolarHBondContact N-O 3.17Å; T105-R160 VanDerWaalsContact N-O 3.09Å; T105-R160 PolarHBondContact OG1-O 3.33Å; T105-N161 VanDerWaalsContact CG2-C 3.49Å; T105-N161 VanDerWaalsContact CG2-O 3.3Å; T105-N161 WeakPolarHBondContact CG2-O 3.08Å; T105-N161 PolarHBondContact OG1-O 3.17Å; T105-A162 HydrophobicContact CG2-CB 3.65Å
106	Y	97.2	Very high	93.5	Very high	22 Å²	22	40.6 Å²	40.6	9%	0.086	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.3	-177.7	-164.7	-109	0	0	0	111.2	R108 E128 F129 E130 P159 R160	Y106-R108 HydrophobicContact CD1-CG 4.1Å; Y106-R108 HydrophobicContact CE1-CG 3.55Å; Y106-E128 HydrophobicContact CE2-CB 4.41Å; Y106-E128 PolarHBondContact OH-OE1 2.99Å; Y106-F129 WeakPolarHBondContact CA-O 3.49Å; Y106-F129 VanDerWaalsContact CD2-O 3.25Å; Y106-F129 WeakPolarHBondContact CD2-O 3.37Å; Y106-E130 VanDerWaalsContact CD2-CD 3.45Å; Y106-E130 HydrophobicContact CD2-CG 4.33Å; Y106-E130 VanDerWaalsContact CD2-OE1 3.23Å; Y106-E130 WeakPolarHBondContact CD2-OE1 3.42Å; Y106-E130 HydrophobicContact CE2-CG 4.43Å; Y106-E130 WeakPolarHBondContact CE2-OE1 3.41Å; Y106-P159 HydrophobicContact CD1-CG 3.54Å; Y106-P159 HydrophobicContact CE1-CG 4.32Å; Y106-P159 HydrophobicContact CG-CG 4.47Å; Y106-R160 VanDerWaalsContact CB-CZ 3.47Å; Y106-R160 VanDerWaalsContact CG-CZ 3.47Å
107	A	97.4	Very high	93.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.3	172.2	0	0	0	0	0	111.5	E128 F129 L131 H157	A107-E128 CarbonylContact O-C 3.48Å; A107-E128 WeakPolarHBondContact O-CA 3.45Å; A107-F129 PolarHBondContact N-O 2.8Å; A107-F129 PolarHBondContact O-N 3.25Å; A107-L131 HydrophobicContact CB-CD1 3.91Å; A107-L131 HydrophobicContact CB-CD2 4.28Å; A107-L131 HydrophobicContact CB-CG 4.26Å; A107-H157 CarbonylContact C-O 3.49Å; A107-H157 VanDerWaalsContact CA-O 3.27Å; A107-H157 WeakPolarHBondContact CA-O 3.36Å
108	R	97.6	Very high	93.7	Very high	61 Å²	61	44.8 Å²	44.8	23%	0.23	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.2	171.8	-56.3	-176.3	165.8	131.5	8.4	109.7	Y106 F110 P125 E128 H157	Y106-R108 HydrophobicContact CD1-CG 4.1Å; Y106-R108 HydrophobicContact CE1-CG 3.55Å; R108-F110 HydrophobicContact CB-CE2 3.86Å; R108-F110 HydrophobicContact CB-CZ 4.25Å; R108-P125 HydrophobicContact CB-CB 3.98Å; R108-E128 HydrophobicContact CB-CG 4.4Å; R108-E128 WeakPolarHBondContact CD-OE1 3.45Å; R108-E128 HydrophobicContact CG-CG 3.99Å; R108-E128 IonicContact CZ-OE1 2.9Å; R108-E128 IonicContact NE-OE1 2.86Å; R108-E128 PolarHBondContact NE-OE1 2.6Å; R108-E128 IonicContact NH2-OE1 2.65Å; R108-H157 HydrophobicContact CB-CB 4.21Å; R108-H157 PolarHBondContact N-O 2.86Å; R108-H157 PolarHBondContact O-N 2.89Å
109	L	97.8	Very high	94	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.9	176.4	-60.9	-170	0	0	0	110.8	M93 V126 Q127 F129 L143 F148 L154 S155 I156	M93-L109 HydrophobicContact CE-CD2 4.36Å; M93-L109 HydrophobicContact SD-CD2 4.09Å; L109-V126 PolarHBondContact O-N 3.29Å; L109-Q127 PolarHBondContact N-O 2.8Å; L109-F129 HydrophobicContact CD1-CE2 3.67Å; L109-F129 HydrophobicContact CG-CD2 4.46Å; L109-F129 HydrophobicContact CG-CE2 4.03Å; L109-L143 HydrophobicContact CD1-CD2 3.51Å; L109-L143 HydrophobicContact CD1-CG 4.12Å; L109-F148 HydrophobicContact CB-CE1 4.14Å; L109-F148 HydrophobicContact CB-CZ 3.92Å; L109-F148 HydrophobicContact CD1-CE1 4.22Å; L109-F148 HydrophobicContact CD1-CZ 3.99Å; L109-L154 HydrophobicContact CB-CD1 4.46Å; L109-L154 HydrophobicContact CD2-CD1 4.46Å; L109-S155 WeakPolarHBondContact CA-O 3.22Å; L109-I156 HydrophobicContact CD2-CB 4.12Å; L109-I156 HydrophobicContact CD2-CG1 3.75Å; L109-I156 HydrophobicContact CD2-CG2 3.93Å
110	F	97.4	Very high	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.5	170.8	-54.2	-92.9	0	0	0	109.5	R108 M116 T121 P125 S155 H157	R108-F110 HydrophobicContact CB-CE2 3.86Å; R108-F110 HydrophobicContact CB-CZ 4.25Å; F110-M116 HydrophobicContact CB-CE 4.37Å; F110-M116 HydrophobicContact CB-SD 3.75Å; F110-M116 HydrophobicContact CD1-CE 3.69Å; F110-M116 HydrophobicContact CD1-SD 4.2Å; F110-M116 HydrophobicContact CD2-CE 3.66Å; F110-M116 HydrophobicContact CD2-SD 3.67Å; F110-M116 HydrophobicContact CE1-CE 3.75Å; F110-M116 HydrophobicContact CE2-CE 3.73Å; F110-M116 HydrophobicContact CE2-SD 4.3Å; F110-M116 HydrophobicContact CG-CE 3.64Å; F110-M116 HydrophobicContact CG-SD 3.61Å; F110-M116 HydrophobicContact CZ-CE 3.77Å; F110-T121 WeakPolarHBondContact CZ-O 3.3Å; F110-P125 HydrophobicContact CD1-CB 4.22Å; F110-P125 VanDerWaalsContact CE1-CA 3.44Å; F110-P125 HydrophobicContact CE1-CB 3.73Å; F110-P125 HydrophobicContact CE2-CB 4.44Å; F110-P125 HydrophobicContact CZ-CB 3.85Å; F110-S155 PolarHBondContact N-O 2.94Å; F110-S155 PolarHBondContact O-N 2.76Å; F110-H157 HydrophobicContact CD2-CB 4.43Å; F110-H157 HydrophobicContact CE2-CB 3.89Å
111	K	95.2	Very high	94.9	Very high	34 Å²	34	48.9 Å²	48.9	15%	0.148	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.6	-175.9	176.8	-175.4	173.3	-150.6	0	109.7	R113 V126 R147 D150 V151	K111-R113 VanDerWaalsContact C-N 3.25Å; K111-R113 PolarHBondContact O-N 2.78Å; K111-V126 HydrophobicContact CB-CG2 3.8Å; K111-R147 WeakPolarHBondContact CD-O 3.29Å; K111-R147 WeakPolarHBondContact CE-O 3.45Å; K111-R147 PolarHBondContact NZ-O 2.97Å; K111-D150 VanDerWaalsContact CE-O 3.27Å; K111-D150 WeakPolarHBondContact CE-O 3.45Å; K111-D150 IonicContact NZ-OD1 2.86Å; K111-D150 PolarHBondContact NZ-OD1 2.82Å; K111-D150 IonicContact NZ-OD2 3.1Å; K111-D150 PolarHBondContact NZ-OD2 2.72Å; K111-V151 HydrophobicContact CD-CG2 3.95Å; K111-V151 HydrophobicContact CG-CG1 4.4Å; K111-V151 HydrophobicContact CG-CG2 4.03Å
112	N	94.7	Very high	94.9	Very high	45 Å²	45	49.5 Å²	49.5	24%	0.241	25%	0.25	C	C	.	.	S	Bend	trans	56.3	39.8	170.9	-61.4	-10.6	0	0	0	112.5	D150 V151 H152 H153	N112-D150 PolarHBondContact ND2-O 2.83Å; N112-V151 WeakPolarHBondContact OD1-CA 3.45Å; N112-H152 WeakPolarHBondContact CB-CE1 3.46Å; N112-H152 PolarHBondContact ND2-CE1 2.78Å; N112-H152 VanDerWaalsContact ND2-CE1 3.31Å; N112-H152 PolarHBondContact ND2-ND1 3.01Å; N112-H152 PolarHBondContact OD1-CE1 3.13Å; N112-H152 PolarHBondContact OD1-N 2.91Å; N112-H152 PolarHBondContact OD1-ND1 3.4Å; N112-H152 VanDerWaalsContact OD1-ND1 3.14Å; N112-H153 PolarHBondContact N-O 3.49Å; N112-H153 PolarHBondContact OD1-N 3.18Å
113	R	93.5	Very high	94.9	Very high	87 Å²	87	50.2 Å²	50.2	33%	0.328	26%	0.26	S	S	.	.			trans	-120.2	88.4	174	-65.5	-169.3	-173.7	170.3	6.6	108.9	K111 M116 T124 H153 S155	K111-R113 VanDerWaalsContact C-N 3.25Å; K111-R113 PolarHBondContact O-N 2.78Å; R113-M116 HydrophobicContact CB-SD 4.4Å; R113-T124 PolarHBondContact NH2-O 3.34Å; R113-H153 PolarHBondContact O-CE1 2.76Å; R113-H153 PolarHBondContact O-ND1 2.72Å; R113-S155 PolarHBondContact O-OG 2.94Å
114	P	91.8	Very high	94.9	Very high	81 Å²	81	52.1 Å²	52.1	53%	0.526	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	145.4	179.4	27.9	-33.7	0	0	0	111.2	M116	P114-M116 VanDerWaalsContact C-N 3.29Å; P114-M116 PolarHBondContact O-N 2.87Å
115	N	91.2	Very high	94.9	Very high	118 Å²	118	53 Å²	53	63%	0.631	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	39.6	174.5	-54.4	-33.7	0	0	0	114.4	S117	N115-S117 PolarHBondContact O-N 2.99Å
116	M	94.7	Very high	94.9	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.287	C	S	.	.			trans	-62.4	135	-179.8	-164	170.5	176.6	0	0	110.9	L79 N81 F110 R113 P114 E120 T121	L79-M116 HydrophobicContact CD2-CB 4.31Å; L79-M116 HydrophobicContact CD2-CG 4.36Å; L79-M116 WeakPolarHBondContact CD2-O 3.31Å; N81-M116 PolarHBondContact ND2-N 3.33Å; N81-M116 PolarHBondContact ND2-O 2.82Å; N81-M116 WeakPolarHBondContact OD1-CB 3.35Å; N81-M116 PolarHBondContact OD1-N 3.45Å; F110-M116 HydrophobicContact CB-CE 4.37Å; F110-M116 HydrophobicContact CB-SD 3.75Å; F110-M116 HydrophobicContact CD1-CE 3.69Å; F110-M116 HydrophobicContact CD1-SD 4.2Å; F110-M116 HydrophobicContact CD2-CE 3.66Å; F110-M116 HydrophobicContact CD2-SD 3.67Å; F110-M116 HydrophobicContact CE1-CE 3.75Å; F110-M116 HydrophobicContact CE2-CE 3.73Å; F110-M116 HydrophobicContact CE2-SD 4.3Å; F110-M116 HydrophobicContact CG-CE 3.64Å; F110-M116 HydrophobicContact CG-SD 3.61Å; F110-M116 HydrophobicContact CZ-CE 3.77Å; R113-M116 HydrophobicContact CB-SD 4.4Å; P114-M116 VanDerWaalsContact C-N 3.29Å; P114-M116 PolarHBondContact O-N 2.87Å; M116-E120 WeakPolarHBondContact CA-OE2 3.43Å; M116-E120 HydrophobicContact CE-CB 3.91Å; M116-E120 WeakPolarHBondContact CE-O 3.28Å; M116-E120 HydrophobicContact CG-CB 3.85Å; M116-T121 VanDerWaalsContact CE-CA 3.47Å; M116-T121 HydrophobicContact CE-CG2 4.03Å
117	S	96.1	Very high	94.9	Very high	41 Å²	41	53.5 Å²	53.5	29%	0.287	29%	0.289	S	S	.	.			trans	-103.4	167.2	174.9	60.7	0	0	0	0	111.6	N115 D119 E120	N115-S117 PolarHBondContact O-N 2.99Å; S117-D119 VanDerWaalsContact C-N 3.28Å; S117-D119 PolarHBondContact O-N 2.93Å; S117-E120 PolarHBondContact N-OE2 3.4Å; S117-E120 PolarHBondContact O-N 3.49Å; S117-E120 VanDerWaalsContact O-N 3.16Å; S117-E120 PolarHBondContact OG-OE2 2.82Å
118	F	95.9	Very high	94.9	Very high	58 Å²	58	57.6 Å²	57.6	25%	0.254	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.7	177.7	-66.3	-63.1	0	0	0	112.8	L43 N44 E77 L79 E120 T121	L43-F118 HydrophobicContact CB-CE1 4.39Å; L43-F118 HydrophobicContact CB-CE2 3.58Å; L43-F118 HydrophobicContact CB-CZ 3.48Å; L43-F118 VanDerWaalsContact CB-CZ 3.48Å; L43-F118 HydrophobicContact CD1-CD2 4.26Å; L43-F118 HydrophobicContact CD1-CE2 4.07Å; L43-F118 HydrophobicContact CD1-CZ 4.43Å; L43-F118 HydrophobicContact CG-CE2 4.5Å; N44-F118 HydrophobicContact CB-CE2 4.15Å; N44-F118 HydrophobicContact CB-CZ 3.7Å; E77-F118 HydrophobicContact CB-CE1 4.44Å; E77-F118 VanDerWaalsContact CD-CD1 3.42Å; E77-F118 HydrophobicContact CG-CD1 3.8Å; E77-F118 HydrophobicContact CG-CE1 3.6Å; L79-F118 HydrophobicContact CB-CD1 4.19Å; L79-F118 HydrophobicContact CB-CE1 3.58Å; L79-F118 HydrophobicContact CB-CZ 4.14Å; L79-F118 HydrophobicContact CD2-CD1 4.41Å; F118-E120 PolarHBondContact O-N 3.37Å; F118-T121 WeakPolarHBondContact O-CB 3.37Å; F118-T121 WeakPolarHBondContact O-CG2 3.38Å; F118-T121 PolarHBondContact O-N 2.72Å; F118-T121 VanDerWaalsContact O-N 3.07Å; F118-T121 PolarHBondContact O-OG1 2.87Å
119	D	94.7	Very high	94.9	Very high	136 Å²	136	55.6 Å²	55.6	73%	0.727	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.3	-36.8	177.1	-69.5	-29.4	0	0	0	112.5	S117 T121 N122	S117-D119 VanDerWaalsContact C-N 3.28Å; S117-D119 PolarHBondContact O-N 2.93Å; D119-T121 VanDerWaalsContact C-N 3.27Å; D119-T121 PolarHBondContact O-N 3.19Å; D119-N122 PolarHBondContact O-ND2 2.83Å
120	E	93.6	Very high	94.8	Very high	91 Å²	91	61.5 Å²	61.5	43%	0.425	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-75.6	-15.8	-179	-66.8	171.6	106.4	0	0	113	M116 S117 F118 N122 G123	M116-E120 WeakPolarHBondContact CA-OE2 3.43Å; M116-E120 HydrophobicContact CE-CB 3.91Å; M116-E120 WeakPolarHBondContact CE-O 3.28Å; M116-E120 HydrophobicContact CG-CB 3.85Å; S117-E120 PolarHBondContact N-OE2 3.4Å; S117-E120 PolarHBondContact O-N 3.49Å; S117-E120 VanDerWaalsContact O-N 3.16Å; S117-E120 PolarHBondContact OG-OE2 2.82Å; F118-E120 PolarHBondContact O-N 3.37Å; E120-N122 PolarHBondContact O-N 2.55Å; E120-G123 PolarHBondContact O-N 3.29Å; E120-G123 VanDerWaalsContact O-N 3.07Å
121	T	93.2	Very high	94.7	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.031	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-67.7	-16.9	178	72.5	0	0	0	0	113	L79 F110 M116 F118 D119 G123 H157	L79-T121 HydrophobicContact CD1-CG2 4.31Å; L79-T121 HydrophobicContact CD2-CG2 4.09Å; F110-T121 WeakPolarHBondContact CZ-O 3.3Å; M116-T121 VanDerWaalsContact CE-CA 3.47Å; M116-T121 HydrophobicContact CE-CG2 4.03Å; F118-T121 WeakPolarHBondContact O-CB 3.37Å; F118-T121 WeakPolarHBondContact O-CG2 3.38Å; F118-T121 PolarHBondContact O-N 2.72Å; F118-T121 VanDerWaalsContact O-N 3.07Å; F118-T121 PolarHBondContact O-OG1 2.87Å; D119-T121 VanDerWaalsContact C-N 3.27Å; D119-T121 PolarHBondContact O-N 3.19Å; T121-G123 PolarHBondContact O-N 3.11Å; T121-H157 HydrophobicContact CG2-CB 4.39Å; T121-H157 PolarHBondContact OG1-CE1 3.34Å
122	N	92	Very high	94.6	Very high	134 Å²	134	67.8 Å²	67.8	72%	0.717	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-68.4	-14.4	171.7	-66.2	-58.4	0	0	0	113.2	D119 E120	D119-N122 PolarHBondContact O-ND2 2.83Å; E120-N122 PolarHBondContact O-N 2.55Å
123	G	92	Very high	94.5	Very high	34 Å²	34	70 Å²	70	35%	0.351	37%	0.368	S	S	.	.	S	Bend	trans	-70.3	174.2	174.8	0	0	0	0	0	113	E120 T121 P125	E120-G123 PolarHBondContact O-N 3.29Å; E120-G123 VanDerWaalsContact O-N 3.07Å; T121-G123 PolarHBondContact O-N 3.11Å; G123-P125 VanDerWaalsContact O-CD 3.23Å; G123-P125 WeakPolarHBondContact O-CD 3.44Å
124	T	94.5	Very high	94.3	Very high	115 Å²	115	66.5 Å²	66.5	71%	0.706	36%	0.356	S	S	*	.			trans	-70.5	119.7	179.4	-48.8	0	0	0	0	111.4	R113	R113-T124 PolarHBondContact NH2-O 3.34Å
125	P	96.6	Very high	94.3	Very high	23 Å²	23	65.6 Å²	65.6	15%	0.149	35%	0.349	C	S	.	.			trans	-73.6	154.7	171.4	29.6	-32.2	0	0	0	111.3	R108 F110 G123 E128	R108-P125 HydrophobicContact CB-CB 3.98Å; F110-P125 HydrophobicContact CD1-CB 4.22Å; F110-P125 VanDerWaalsContact CE1-CA 3.44Å; F110-P125 HydrophobicContact CE1-CB 3.73Å; F110-P125 HydrophobicContact CE2-CB 4.44Å; F110-P125 HydrophobicContact CZ-CB 3.85Å; G123-P125 VanDerWaalsContact O-CD 3.23Å; G123-P125 WeakPolarHBondContact O-CD 3.44Å; P125-E128 HydrophobicContact CB-CG 3.9Å; P125-E128 HydrophobicContact CG-CG 3.35Å; P125-E128 WeakPolarHBondContact CG-OE1 3.28Å
126	V	96.7	Very high	94.2	Very high	31 Å²	31	64.8 Å²	64.8	19%	0.188	34%	0.342	C	S	.	.	S	Bend	trans	-73.3	-38.9	178.6	-179.3	0	0	0	0	110.7	L109 K111 R147 F148	L109-V126 PolarHBondContact O-N 3.29Å; K111-V126 HydrophobicContact CB-CG2 3.8Å; V126-R147 HydrophobicContact CG1-CB 3.71Å; V126-R147 HydrophobicContact CG1-CG 4.42Å; V126-R147 PolarHBondContact O-NH1 2.83Å; V126-F148 HydrophobicContact CB-CE1 4.24Å; V126-F148 HydrophobicContact CB-CE2 4.4Å; V126-F148 HydrophobicContact CB-CZ 3.76Å; V126-F148 HydrophobicContact CG1-CD2 4.35Å; V126-F148 HydrophobicContact CG1-CE1 4.03Å; V126-F148 HydrophobicContact CG1-CE2 3.66Å; V126-F148 HydrophobicContact CG1-CZ 3.48Å; V126-F148 VanDerWaalsContact CG1-CZ 3.48Å
127	Q	97.3	Very high	93.9	Very high	28 Å²	28	64.8 Å²	64.8	13%	0.131	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	148.4	177.1	-171.7	164.2	-14.1	0	0	109.8	L109 F129 S142 F148	L109-Q127 PolarHBondContact N-O 2.8Å; Q127-F129 VanDerWaalsContact CD-CZ 3.47Å; Q127-F129 HydrophobicContact CG-CE1 4.17Å; Q127-F129 HydrophobicContact CG-CE2 4.01Å; Q127-F129 HydrophobicContact CG-CZ 3.72Å; Q127-S142 PolarHBondContact NE2-O 3.03Å; Q127-F148 HydrophobicContact CB-CE2 3.85Å; Q127-F148 HydrophobicContact CB-CZ 3.98Å
128	E	97.3	Very high	93.6	Very high	85 Å²	85	68.4 Å²	68.4	40%	0.397	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.7	179.9	-56.2	179.7	106.5	0	0	109.2	Y106 A107 R108 P125	Y106-E128 HydrophobicContact CE2-CB 4.41Å; Y106-E128 PolarHBondContact OH-OE1 2.99Å; A107-E128 CarbonylContact O-C 3.48Å; A107-E128 WeakPolarHBondContact O-CA 3.45Å; R108-E128 HydrophobicContact CB-CG 4.4Å; R108-E128 WeakPolarHBondContact CD-OE1 3.45Å; R108-E128 HydrophobicContact CG-CG 3.99Å; R108-E128 IonicContact CZ-OE1 2.9Å; R108-E128 IonicContact NE-OE1 2.86Å; R108-E128 PolarHBondContact NE-OE1 2.6Å; R108-E128 IonicContact NH2-OE1 2.65Å; P125-E128 HydrophobicContact CB-CG 3.9Å; P125-E128 HydrophobicContact CG-CG 3.35Å; P125-E128 WeakPolarHBondContact CG-OE1 3.28Å
129	F	96.6	Very high	93.4	Very high	20 Å²	20	67.9 Å²	67.9	9%	0.088	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.1	-178.2	-60.6	-76.7	0	0	0	110.8	M93 Y106 A107 L109 Q127 L131 Y141 L143	M93-F129 HydrophobicContact CE-CD2 4.14Å; M93-F129 HydrophobicContact CE-CE2 4.31Å; Y106-F129 WeakPolarHBondContact CA-O 3.49Å; Y106-F129 VanDerWaalsContact CD2-O 3.25Å; Y106-F129 WeakPolarHBondContact CD2-O 3.37Å; A107-F129 PolarHBondContact N-O 2.8Å; A107-F129 PolarHBondContact O-N 3.25Å; L109-F129 HydrophobicContact CD1-CE2 3.67Å; L109-F129 HydrophobicContact CG-CD2 4.46Å; L109-F129 HydrophobicContact CG-CE2 4.03Å; Q127-F129 VanDerWaalsContact CD-CZ 3.47Å; Q127-F129 HydrophobicContact CG-CE1 4.17Å; Q127-F129 HydrophobicContact CG-CE2 4.01Å; Q127-F129 HydrophobicContact CG-CZ 3.72Å; F129-L131 HydrophobicContact CB-CD2 4.08Å; F129-Y141 HydrophobicContact CB-CD1 4.23Å; F129-Y141 AromaticContact CD1-CD1 3.85Å; F129-Y141 HydrophobicContact CD1-CD1 3.85Å; F129-Y141 HydrophobicContact CD1-CG 4.13Å; F129-Y141 HydrophobicContact CG-CD1 4.23Å; F129-Y141 HydrophobicContact CG-CG 4.39Å; F129-L143 HydrophobicContact CZ-CD1 4.4Å; F129-L143 HydrophobicContact CZ-CG 4.14Å
130	E	96.5	Very high	93.3	Very high	123 Å²	123	64 Å²	64	58%	0.575	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.7	158.7	-65.7	-65.4	160.8	0	0	107.6	Y106 R160	Y106-E130 VanDerWaalsContact CD2-CD 3.45Å; Y106-E130 HydrophobicContact CD2-CG 4.33Å; Y106-E130 VanDerWaalsContact CD2-OE1 3.23Å; Y106-E130 WeakPolarHBondContact CD2-OE1 3.42Å; Y106-E130 HydrophobicContact CE2-CG 4.43Å; Y106-E130 WeakPolarHBondContact CE2-OE1 3.41Å; E130-R160 IonicContact OE1-NH2 2.65Å; E130-R160 PolarHBondContact OE1-NH2 3.42Å; E130-R160 IonicContact OE2-NH2 3.77Å; E130-R160 PolarHBondContact OE2-NH2 3.17Å; E130-R160 VanDerWaalsContact OE2-NH2 3.1Å
131	L	95.5	Very high	93.4	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.079	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-86.2	131.8	-175.1	-58.6	175.1	0	0	0	110.4	L95 P104 T105 A107 F129 Y141	L95-L131 HydrophobicContact CD1-CD1 4.21Å; L95-L131 HydrophobicContact CD2-CD1 4.36Å; P104-L131 HydrophobicContact CB-CD1 3.83Å; P104-L131 HydrophobicContact CG-CD1 4.04Å; T105-L131 PolarHBondContact O-N 3.4Å; A107-L131 HydrophobicContact CB-CD1 3.91Å; A107-L131 HydrophobicContact CB-CD2 4.28Å; A107-L131 HydrophobicContact CB-CG 4.26Å; F129-L131 HydrophobicContact CB-CD2 4.08Å; L131-Y141 WeakPolarHBondContact CA-OH 3.33Å; L131-Y141 HydrophobicContact CD2-CD1 4.44Å; L131-Y141 HydrophobicContact CD2-CD2 4.12Å; L131-Y141 HydrophobicContact CD2-CE1 3.94Å; L131-Y141 HydrophobicContact CD2-CE2 3.59Å
132	K	92.4	Very high	93.5	Very high	152 Å²	152	64.3 Å²	64.3	66%	0.661	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-89.5	158.5	171.8	-64.1	-176.8	-179.6	178.8	0	110.2	D134 Y141	K132-D134 PolarHBondContact O-N 2.86Å; K132-D134 VanDerWaalsContact O-N 3.16Å; K132-Y141 PolarHBondContact N-OH 3.45Å
133	L	91.8	Very high	93.7	Very high	91 Å²	91	58.5 Å²	58.5	48%	0.476	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-61	119.1	166.9	-178.7	61	0	0	0	109.4	V135	L133-V135 HydrophobicContact CD1-CG2 4.01Å; L133-V135 HydrophobicContact CG-CG2 4.23Å
134	D	91	Very high	93.8	Very high	13 Å²	13	63.6 Å²	63.6	7%	0.07	33%	0.325	C	S	.	.			trans	-140.2	109.4	174.8	-175.2	5.7	0	0	0	108.8	K132 E136 G137 Q138 V139	K132-D134 PolarHBondContact O-N 2.86Å; K132-D134 VanDerWaalsContact O-N 3.16Å; D134-E136 PolarHBondContact OD1-N 3.47Å; D134-G137 VanDerWaalsContact CG-N 3.33Å; D134-G137 WeakPolarHBondContact OD1-CA 3.35Å; D134-G137 PolarHBondContact OD1-N 2.77Å; D134-G137 WeakPolarHBondContact OD2-CA 3.4Å; D134-G137 PolarHBondContact OD2-N 2.87Å; D134-Q138 VanDerWaalsContact CG-N 3.3Å; D134-Q138 PolarHBondContact OD1-N 3Å; D134-Q138 PolarHBondContact OD2-N 3.09Å; D134-V139 HydrophobicContact CB-CB 4.18Å; D134-V139 HydrophobicContact CB-CG2 4.04Å; D134-V139 WeakPolarHBondContact OD2-CB 3.36Å; D134-V139 PolarHBondContact OD2-N 3.39Å
135	V	90.1	Very high	93.7	Very high	63 Å²	63	62.4 Å²	62.4	38%	0.382	31%	0.312	S	S	.	.	S	Bend	trans	-90.6	-17.8	-174.9	-176.9	0	0	0	0	111.2	R64 L133	R64-V135 VanDerWaalsContact NH2-CG1 3.32Å; R64-V135 PolarHBondContact NH2-O 3.48Å; L133-V135 HydrophobicContact CD1-CG2 4.01Å; L133-V135 HydrophobicContact CG-CG2 4.23Å
136	E	89.5	Confident	93.5	Very high	101 Å²	101	65.8 Å²	65.8	47%	0.472	34%	0.342	S	S	.	.	S	Bend	trans	-122.6	-8.8	-169.6	-69.6	-178.7	-175.2	0	0	113.7	R61 M62 D134 Q138	R61-E136 PolarHBondContact NE-O 2.81Å; M62-E136 HydrophobicContact CE-CB 4.42Å; M62-E136 HydrophobicContact CE-CG 3.83Å; D134-E136 PolarHBondContact OD1-N 3.47Å; E136-Q138 HydrophobicContact CB-CG 3.88Å
137	G	89	Confident	93.4	Very high	2 Å²	2	70.1 Å²	70.1	2%	0.021	36%	0.355	C	S	.	.	S	Bend	trans	88	15.6	-177.5	0	0	0	0	0	114.1	W58 V94 D134 V139	W58-G137 WeakPolarHBondContact CH2-O 3.38Å; V94-G137 VanDerWaalsContact CG1-CA 3.5Å; D134-G137 VanDerWaalsContact CG-N 3.33Å; D134-G137 WeakPolarHBondContact OD1-CA 3.35Å; D134-G137 PolarHBondContact OD1-N 2.77Å; D134-G137 WeakPolarHBondContact OD2-CA 3.4Å; D134-G137 PolarHBondContact OD2-N 2.87Å; G137-V139 PolarHBondContact O-N 2.88Å
138	Q	88.6	Confident	93.4	Very high	117 Å²	117	68.8 Å²	68.8	55%	0.547	35%	0.349	S	S	.	.			trans	-75.8	-5.6	-174.3	-57.8	-62	-15.8	0	0	114.2	D134 E136 P140	D134-Q138 VanDerWaalsContact CG-N 3.3Å; D134-Q138 PolarHBondContact OD1-N 3Å; D134-Q138 PolarHBondContact OD2-N 3.09Å; E136-Q138 HydrophobicContact CB-CG 3.88Å; Q138-P140 VanDerWaalsContact C-CD 3.44Å; Q138-P140 WeakPolarHBondContact O-CD 3.48Å
139	V	92.5	Very high	93.2	Very high	46 Å²	46	66.8 Å²	66.8	28%	0.279	34%	0.344	S	S	.	.			trans	-112.7	82.5	-176.2	-171.8	0	0	0	0	110.3	D134 G137 Y141	D134-V139 HydrophobicContact CB-CB 4.18Å; D134-V139 HydrophobicContact CB-CG2 4.04Å; D134-V139 WeakPolarHBondContact OD2-CB 3.36Å; D134-V139 PolarHBondContact OD2-N 3.39Å; G137-V139 PolarHBondContact O-N 2.88Å; V139-Y141 HydrophobicContact CG1-CE1 4.43Å; V139-Y141 WeakPolarHBondContact O-CE2 3.33Å; V139-Y141 PolarHBondContact O-N 2.91Å
140	P	92.8	Very high	93.1	Very high	56 Å²	56	69 Å²	69	36%	0.364	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-75	127.2	174.4	30.4	-34.7	0	0	0	111.6	F29 K92 V94 Q138	F29-P140 HydrophobicContact CZ-CB 4.4Å; K92-P140 HydrophobicContact CB-CB 4.41Å; K92-P140 HydrophobicContact CD-CB 4.14Å; V94-P140 HydrophobicContact CG2-CB 3.77Å; Q138-P140 VanDerWaalsContact C-CD 3.44Å; Q138-P140 WeakPolarHBondContact O-CD 3.48Å
141	Y	95.9	Very high	93	Very high	22 Å²	22	63.2 Å²	63.2	9%	0.086	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.2	173.7	-60	-82.8	0	0	0	109.9	K92 M93 F129 L131 K132 V139 L143	K92-Y141 CarbonylContact C-O 3.5Å; K92-Y141 WeakPolarHBondContact CA-O 3.32Å; M93-Y141 PolarHBondContact N-O 3.02Å; M93-Y141 WeakPolarHBondContact O-CD2 3.16Å; M93-Y141 PolarHBondContact O-N 3.12Å; F129-Y141 HydrophobicContact CB-CD1 4.23Å; F129-Y141 AromaticContact CD1-CD1 3.85Å; F129-Y141 HydrophobicContact CD1-CD1 3.85Å; F129-Y141 HydrophobicContact CD1-CG 4.13Å; F129-Y141 HydrophobicContact CG-CD1 4.23Å; F129-Y141 HydrophobicContact CG-CG 4.39Å; L131-Y141 WeakPolarHBondContact CA-OH 3.33Å; L131-Y141 HydrophobicContact CD2-CD1 4.44Å; L131-Y141 HydrophobicContact CD2-CD2 4.12Å; L131-Y141 HydrophobicContact CD2-CE1 3.94Å; L131-Y141 HydrophobicContact CD2-CE2 3.59Å; K132-Y141 PolarHBondContact N-OH 3.45Å; V139-Y141 HydrophobicContact CG1-CE1 4.43Å; V139-Y141 WeakPolarHBondContact O-CE2 3.33Å; V139-Y141 PolarHBondContact O-N 2.91Å; Y141-L143 WeakPolarHBondContact O-CD1 3.38Å
142	S	95.9	Very high	93	Very high	79 Å²	79	65.2 Å²	65.2	55%	0.552	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	127	179.6	-64.7	0	0	0	0	111.7	Q127	Q127-S142 PolarHBondContact NE2-O 3.03Å
143	L	95.7	Very high	93.1	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.063	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-92	146.7	174.9	-71.5	82.4	0	0	0	110	L90 K91 K92 M93 L109 F129 Y141 M145 F148	L90-L143 HydrophobicContact CB-CD2 3.79Å; L90-L143 HydrophobicContact CD1-CD2 4.03Å; K91-L143 PolarHBondContact O-N 3.07Å; K92-L143 VanDerWaalsContact CA-CD1 3.45Å; M93-L143 HydrophobicContact CB-CD1 3.78Å; M93-L143 VanDerWaalsContact N-CD1 3.34Å; L109-L143 HydrophobicContact CD1-CD2 3.51Å; L109-L143 HydrophobicContact CD1-CG 4.12Å; F129-L143 HydrophobicContact CZ-CD1 4.4Å; F129-L143 HydrophobicContact CZ-CG 4.14Å; Y141-L143 WeakPolarHBondContact O-CD1 3.38Å; L143-M145 PolarHBondContact O-N 3.1Å; L143-F148 HydrophobicContact CB-CD2 3.89Å; L143-F148 HydrophobicContact CB-CE2 4.21Å; L143-F148 HydrophobicContact CB-CG 4.49Å; L143-F148 HydrophobicContact CD2-CD1 4.03Å; L143-F148 HydrophobicContact CD2-CD2 3.9Å; L143-F148 HydrophobicContact CD2-CE1 4.08Å; L143-F148 HydrophobicContact CD2-CE2 3.95Å; L143-F148 HydrophobicContact CD2-CG 3.94Å; L143-F148 HydrophobicContact CD2-CZ 4.04Å; L143-F148 HydrophobicContact CG-CD2 4.36Å; L143-F148 HydrophobicContact CG-CE2 4.34Å
144	R	94.7	Very high	93.4	Very high	142 Å²	142	54.1 Å²	54.1	54%	0.536	29%	0.287	S	S	.	.			trans	-71.4	93	172.7	-67.3	178.2	-179.4	167.1	0.2	109.3	A146 R147 F148	R144-A146 PolarHBondContact O-N 3.05Å; R144-R147 HydrophobicContact CB-CB 4.42Å; R144-R147 HydrophobicContact CB-CG 4.31Å; R144-R147 WeakPolarHBondContact O-CA 3.45Å; R144-R147 PolarHBondContact O-N 2.79Å; R144-F148 WeakPolarHBondContact O-CD2 3.23Å; R144-F148 PolarHBondContact O-N 3.09Å
145	M	91.5	Very high	93.7	Very high	90 Å²	90	53.5 Å²	53.5	44%	0.443	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-36.9	-176.4	-67.9	-178.8	70	0	0	113.8	K91 L143 R147 F148 S149	K91-M145 HydrophobicContact CD-CE 4.25Å; K91-M145 HydrophobicContact CD-SD 4.39Å; K91-M145 HydrophobicContact CG-CE 3.7Å; K91-M145 HydrophobicContact CG-CG 4.01Å; K91-M145 HydrophobicContact CG-SD 3.78Å; L143-M145 PolarHBondContact O-N 3.1Å; M145-R147 PolarHBondContact O-N 3.49Å; M145-F148 CarbonylContact O-C 3.51Å; M145-F148 PolarHBondContact O-N 2.99Å; M145-F148 VanDerWaalsContact O-N 3.16Å; M145-S149 PolarHBondContact O-N 2.97Å; M145-S149 VanDerWaalsContact O-N 3.09Å
146	A	93.7	Very high	94.1	Very high	93 Å²	93	50.5 Å²	50.5	77%	0.769	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.2	177	0	0	0	0	0	114	R144 S149	R144-A146 PolarHBondContact O-N 3.05Å; A146-S149 PolarHBondContact O-OG 2.86Å
147	R	94.5	Very high	94.5	Very high	123 Å²	123	45.8 Å²	45.8	46%	0.464	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-27.5	175.2	-64.3	-169.7	177.2	-166.3	-6.9	112.4	K111 V126 R144 M145	K111-R147 WeakPolarHBondContact CD-O 3.29Å; K111-R147 WeakPolarHBondContact CE-O 3.45Å; K111-R147 PolarHBondContact NZ-O 2.97Å; V126-R147 HydrophobicContact CG1-CB 3.71Å; V126-R147 HydrophobicContact CG1-CG 4.42Å; V126-R147 PolarHBondContact O-NH1 2.83Å; R144-R147 HydrophobicContact CB-CB 4.42Å; R144-R147 HydrophobicContact CB-CG 4.31Å; R144-R147 WeakPolarHBondContact O-CA 3.45Å; R144-R147 PolarHBondContact O-N 2.79Å; M145-R147 PolarHBondContact O-N 3.49Å
148	F	95.7	Very high	94.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-109.3	35.1	-176.5	-64.4	-86.2	0	0	0	112.8	K89 L90 L109 V126 Q127 L143 R144 M145 V151 L154	K89-F148 CarbonylContact C-O 3.54Å; K89-F148 VanDerWaalsContact CA-O 3.25Å; K89-F148 WeakPolarHBondContact CA-O 3.25Å; L90-F148 HydrophobicContact CB-CB 3.88Å; L90-F148 HydrophobicContact CB-CG 4.45Å; L90-F148 HydrophobicContact CD1-CD1 3.97Å; L90-F148 HydrophobicContact CG-CB 4.49Å; L90-F148 PolarHBondContact N-O 2.92Å; L109-F148 HydrophobicContact CB-CE1 4.14Å; L109-F148 HydrophobicContact CB-CZ 3.92Å; L109-F148 HydrophobicContact CD1-CE1 4.22Å; L109-F148 HydrophobicContact CD1-CZ 3.99Å; V126-F148 HydrophobicContact CB-CE1 4.24Å; V126-F148 HydrophobicContact CB-CE2 4.4Å; V126-F148 HydrophobicContact CB-CZ 3.76Å; V126-F148 HydrophobicContact CG1-CD2 4.35Å; V126-F148 HydrophobicContact CG1-CE1 4.03Å; V126-F148 HydrophobicContact CG1-CE2 3.66Å; V126-F148 HydrophobicContact CG1-CZ 3.48Å; V126-F148 VanDerWaalsContact CG1-CZ 3.48Å; Q127-F148 HydrophobicContact CB-CE2 3.85Å; Q127-F148 HydrophobicContact CB-CZ 3.98Å; L143-F148 HydrophobicContact CB-CD2 3.89Å; L143-F148 HydrophobicContact CB-CE2 4.21Å; L143-F148 HydrophobicContact CB-CG 4.49Å; L143-F148 HydrophobicContact CD2-CD1 4.03Å; L143-F148 HydrophobicContact CD2-CD2 3.9Å; L143-F148 HydrophobicContact CD2-CE1 4.08Å; L143-F148 HydrophobicContact CD2-CE2 3.95Å; L143-F148 HydrophobicContact CD2-CG 3.94Å; L143-F148 HydrophobicContact CD2-CZ 4.04Å; L143-F148 HydrophobicContact CG-CD2 4.36Å; L143-F148 HydrophobicContact CG-CE2 4.34Å; R144-F148 WeakPolarHBondContact O-CD2 3.23Å; R144-F148 PolarHBondContact O-N 3.09Å; M145-F148 CarbonylContact O-C 3.51Å; M145-F148 PolarHBondContact O-N 2.99Å; M145-F148 VanDerWaalsContact O-N 3.16Å; F148-V151 HydrophobicContact CB-CG2 3.91Å; F148-V151 HydrophobicContact CD1-CG2 3.92Å; F148-V151 HydrophobicContact CG-CG2 4.43Å; F148-L154 HydrophobicContact CE1-CD1 4.24Å
149	S	93.3	Very high	95.3	Very high	42 Å²	42	41.4 Å²	41.4	29%	0.294	23%	0.225	S	C	.	.	S	Bend	trans	-84.1	-12.6	-176.8	46.2	0	0	0	0	115.7	K89 M145 A146	K89-S149 WeakPolarHBondContact CG-O 2.91Å; M145-S149 PolarHBondContact O-N 2.97Å; M145-S149 VanDerWaalsContact O-N 3.09Å; A146-S149 PolarHBondContact O-OG 2.86Å
150	D	93.9	Very high	95.4	Very high	68 Å²	68	43.5 Å²	43.5	36%	0.364	23%	0.227	S	C	.	.	S	Bend	trans	-149.7	47.2	-165.2	53.8	-58.9	0	0	0	109.5	I87 K111 N112	I87-D150 HydrophobicContact CG2-CB 4.26Å; K111-D150 VanDerWaalsContact CE-O 3.27Å; K111-D150 WeakPolarHBondContact CE-O 3.45Å; K111-D150 IonicContact NZ-OD1 2.86Å; K111-D150 PolarHBondContact NZ-OD1 2.82Å; K111-D150 IonicContact NZ-OD2 3.1Å; K111-D150 PolarHBondContact NZ-OD2 2.72Å; N112-D150 PolarHBondContact ND2-O 2.83Å
151	V	95.5	Very high	95.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.4	-179.1	-174.1	0	0	0	0	108.5	F84 I87 V88 L90 K111 N112 F148 L154	F84-V151 HydrophobicContact CD2-CG1 4.08Å; F84-V151 HydrophobicContact CE2-CG1 3.8Å; I87-V151 WeakPolarHBondContact CA-O 3.49Å; V88-V151 HydrophobicContact CG2-CB 3.81Å; V88-V151 HydrophobicContact CG2-CG1 4.26Å; V88-V151 PolarHBondContact N-O 2.84Å; V88-V151 PolarHBondContact O-N 3.41Å; L90-V151 HydrophobicContact CD1-CG1 4.29Å; L90-V151 HydrophobicContact CD1-CG2 4.02Å; L90-V151 HydrophobicContact CG-CG2 4.13Å; K111-V151 HydrophobicContact CD-CG2 3.95Å; K111-V151 HydrophobicContact CG-CG1 4.4Å; K111-V151 HydrophobicContact CG-CG2 4.03Å; N112-V151 WeakPolarHBondContact OD1-CA 3.45Å; F148-V151 HydrophobicContact CB-CG2 3.91Å; F148-V151 HydrophobicContact CD1-CG2 3.92Å; F148-V151 HydrophobicContact CG-CG2 4.43Å; V151-L154 HydrophobicContact CG1-CB 4.01Å
152	H	94.7	Very high	95.5	Very high	58 Å²	58	42.2 Å²	42.2	27%	0.269	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-20.5	168	57.2	-95.6	0	0	0	111.8	F84 N112	F84-H152 PolarHBondContact N-O 3.45Å; N112-H152 WeakPolarHBondContact CB-CE1 3.46Å; N112-H152 PolarHBondContact ND2-CE1 2.78Å; N112-H152 VanDerWaalsContact ND2-CE1 3.31Å; N112-H152 PolarHBondContact ND2-ND1 3.01Å; N112-H152 PolarHBondContact OD1-CE1 3.13Å; N112-H152 PolarHBondContact OD1-N 2.91Å; N112-H152 PolarHBondContact OD1-ND1 3.4Å; N112-H152 VanDerWaalsContact OD1-ND1 3.14Å
153	H	96.1	Very high	95.4	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.9	169.4	-167.5	-79.9	0	0	0	109	L82 N112 R113 S155	L82-H153 CarbonylContact O-C 3.51Å; L82-H153 WeakPolarHBondContact O-CA 3.37Å; N112-H153 PolarHBondContact N-O 3.49Å; N112-H153 PolarHBondContact OD1-N 3.18Å; R113-H153 PolarHBondContact O-CE1 2.76Å; R113-H153 PolarHBondContact O-ND1 2.72Å; H153-S155 PolarHBondContact CE1-OG 2.91Å
154	L	97.4	Very high	95.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.5	174.6	176.6	72.2	0	0	0	108.5	L82 F84 L90 L109 F148 V151 I156 L174	L82-L154 WeakPolarHBondContact CA-O 3.2Å; L82-L154 HydrophobicContact CB-CB 4.27Å; L82-L154 VanDerWaalsContact CB-O 3.32Å; L82-L154 WeakPolarHBondContact CB-O 3.15Å; L82-L154 HydrophobicContact CD1-CD2 4.49Å; L82-L154 WeakPolarHBondContact CD1-O 3.45Å; L82-L154 PolarHBondContact N-O 3.48Å; L82-L154 PolarHBondContact O-N 3.03Å; F84-L154 HydrophobicContact CE2-CB 3.73Å; F84-L154 HydrophobicContact CZ-CB 4.37Å; L90-L154 HydrophobicContact CD1-CD1 3.89Å; L90-L154 HydrophobicContact CD1-CD2 3.83Å; L90-L154 HydrophobicContact CD1-CG 4.38Å; L109-L154 HydrophobicContact CB-CD1 4.46Å; L109-L154 HydrophobicContact CD2-CD1 4.46Å; F148-L154 HydrophobicContact CE1-CD1 4.24Å; V151-L154 HydrophobicContact CG1-CB 4.01Å; L154-I156 HydrophobicContact CD2-CD1 4Å; L154-I156 HydrophobicContact CD2-CG1 3.96Å; L154-I156 HydrophobicContact CG-CG1 4.04Å; L154-L174 HydrophobicContact CD2-CD1 3.93Å; L154-L174 HydrophobicContact CD2-CD2 4.11Å
155	S	97.6	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.9	168	-50	0	0	0	0	109.8	F80 N81 L109 F110 R113 H153	F80-S155 CarbonylContact O-C 3.54Å; F80-S155 WeakPolarHBondContact O-CA 3.4Å; N81-S155 WeakPolarHBondContact OD1-CB 3.41Å; N81-S155 PolarHBondContact OD1-OG 3.31Å; L109-S155 WeakPolarHBondContact CA-O 3.22Å; F110-S155 PolarHBondContact N-O 2.94Å; F110-S155 PolarHBondContact O-N 2.76Å; R113-S155 PolarHBondContact O-OG 2.94Å; H153-S155 PolarHBondContact CE1-OG 2.91Å
156	I	97.7	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.7	178.3	-51.5	179.6	0	0	0	106.8	F55 F80 L82 M93 L109 L154 I172	F55-I156 HydrophobicContact CE1-CD1 4.32Å; F55-I156 HydrophobicContact CZ-CD1 4.13Å; F80-I156 HydrophobicContact CB-CB 4.21Å; F80-I156 HydrophobicContact CD2-CB 4.12Å; F80-I156 HydrophobicContact CD2-CG2 4.36Å; F80-I156 WeakPolarHBondContact CD2-O 3.47Å; F80-I156 PolarHBondContact N-O 3.2Å; F80-I156 PolarHBondContact O-N 2.82Å; L82-I156 HydrophobicContact CD1-CD1 3.83Å; L82-I156 HydrophobicContact CD1-CG1 3.8Å; M93-I156 HydrophobicContact SD-CD1 4.13Å; L109-I156 HydrophobicContact CD2-CB 4.12Å; L109-I156 HydrophobicContact CD2-CG1 3.75Å; L109-I156 HydrophobicContact CD2-CG2 3.93Å; L154-I156 HydrophobicContact CD2-CD1 4Å; L154-I156 HydrophobicContact CD2-CG1 3.96Å; L154-I156 HydrophobicContact CG-CG1 4.04Å; I156-I172 HydrophobicContact CD1-CD1 4.39Å; I156-I172 HydrophobicContact CD1-CG2 3.98Å
157	H	98.1	Very high	95.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.2	-179.8	174.8	-138.6	0	0	0	109.9	E77 L79 A107 R108 F110 T121	E77-H157 IonicContact OE1-CD2 3.68Å; E77-H157 IonicContact OE1-CE1 3.4Å; E77-H157 PolarHBondContact OE1-CE1 2.78Å; E77-H157 IonicContact OE1-NE2 3.35Å; E77-H157 PolarHBondContact OE1-NE2 2.94Å; L79-H157 HydrophobicContact CD1-CB 3.8Å; A107-H157 CarbonylContact C-O 3.49Å; A107-H157 VanDerWaalsContact CA-O 3.27Å; A107-H157 WeakPolarHBondContact CA-O 3.36Å; R108-H157 HydrophobicContact CB-CB 4.21Å; R108-H157 PolarHBondContact N-O 2.86Å; R108-H157 PolarHBondContact O-N 2.89Å; F110-H157 HydrophobicContact CD2-CB 4.43Å; F110-H157 HydrophobicContact CE2-CB 3.89Å; T121-H157 HydrophobicContact CG2-CB 4.39Å; T121-H157 PolarHBondContact OG1-CE1 3.34Å
158	I	97.6	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	97.5	176.1	-58.9	-179.6	0	0	0	107	E77 L78 F80 L95 P104 T167 V169	E77-I158 CarbonylContact C-O 3.59Å; E77-I158 VanDerWaalsContact CA-O 3.3Å; E77-I158 WeakPolarHBondContact CA-O 3.28Å; L78-I158 HydrophobicContact CB-CB 4.28Å; L78-I158 PolarHBondContact N-O 2.99Å; L78-I158 PolarHBondContact O-N 2.94Å; F80-I158 HydrophobicContact CE2-CD1 3.82Å; F80-I158 HydrophobicContact CE2-CG1 4.4Å; L95-I158 HydrophobicContact CD1-CD1 3.92Å; P104-I158 HydrophobicContact CB-CD1 4.14Å; P104-I158 HydrophobicContact CB-CG2 3.5Å; I158-T167 HydrophobicContact CG2-CG2 4.11Å; I158-V169 HydrophobicContact CD1-CG2 3.78Å
159	P	96.6	Very high	95.7	Very high	28 Å²	28	30 Å²	30	18%	0.182	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-15	-176.5	29.2	-33.4	0	0	0	114.7	Y106	Y106-P159 HydrophobicContact CD1-CG 3.54Å; Y106-P159 HydrophobicContact CE1-CG 4.32Å; Y106-P159 HydrophobicContact CG-CG 4.47Å
160	R	95.7	Very high	95.8	Very high	90 Å²	90	29.9 Å²	29.9	34%	0.34	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	150.9	-175.6	60.3	174.6	-169.2	-97.1	0.7	113.6	T105 Y106 E130	T105-R160 PolarHBondContact N-O 3.17Å; T105-R160 VanDerWaalsContact N-O 3.09Å; T105-R160 PolarHBondContact OG1-O 3.33Å; Y106-R160 VanDerWaalsContact CB-CZ 3.47Å; Y106-R160 VanDerWaalsContact CG-CZ 3.47Å; E130-R160 IonicContact OE1-NH2 2.65Å; E130-R160 PolarHBondContact OE1-NH2 3.42Å; E130-R160 IonicContact OE2-NH2 3.77Å; E130-R160 PolarHBondContact OE2-NH2 3.17Å; E130-R160 VanDerWaalsContact OE2-NH2 3.1Å
161	N	96	Very high	95.8	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.07	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-159.4	172.5	65	23.6	0	0	0	111.7	E76 R103 T105 G163 A164 T166 T167	E76-N161 HydrophobicContact CB-CB 4.36Å; E76-N161 VanDerWaalsContact CB-ND2 3.28Å; E76-N161 WeakPolarHBondContact CB-ND2 3.4Å; R103-N161 CarbonylContact O-C 3.36Å; R103-N161 WeakPolarHBondContact O-CA 3.3Å; R103-N161 WeakPolarHBondContact O-CB 3.16Å; T105-N161 VanDerWaalsContact CG2-C 3.49Å; T105-N161 VanDerWaalsContact CG2-O 3.3Å; T105-N161 WeakPolarHBondContact CG2-O 3.08Å; T105-N161 PolarHBondContact OG1-O 3.17Å; N161-G163 PolarHBondContact OD1-N 2.93Å; N161-A164 PolarHBondContact ND2-O 3.23Å; N161-A164 PolarHBondContact OD1-N 2.8Å; N161-A164 VanDerWaalsContact OD1-N 3.17Å; N161-A164 PolarHBondContact OD1-O 3.39Å; N161-T166 PolarHBondContact ND2-O 2.88Å; N161-T167 WeakPolarHBondContact CB-OG1 3.37Å
162	A	94.3	Very high	95.9	Very high	37 Å²	37	26.7 Å²	26.7	31%	0.306	16%	0.155	S	C	.	.	S	Bend	trans	-94.6	13.9	-178.7	0	0	0	0	0	113.6	E101 R103 T105	E101-A162 CarbonylContact O-C 3.42Å; E101-A162 WeakPolarHBondContact O-CA 3.32Å; E101-A162 WeakPolarHBondContact O-CB 3.47Å; E101-A162 PolarHBondContact O-N 3.42Å; R103-A162 HydrophobicContact CG-CB 3.76Å; R103-A162 PolarHBondContact O-N 2.88Å; T105-A162 HydrophobicContact CG2-CB 3.65Å
163	G	92.7	Very high	95.9	Very high	57 Å²	57	24 Å²	24	59%	0.588	14%	0.143	S	C	*	.	S	Bend	trans	123.8	6.5	172	0	0	0	0	0	115.9	E101 N161	E101-G163 PolarHBondContact O-N 3.37Å; N161-G163 PolarHBondContact OD1-N 2.93Å
164	A	93.7	Very high	95.9	Very high	25 Å²	25	23.7 Å²	23.7	21%	0.207	14%	0.142	C	C	.	.			trans	-86.7	165.5	174.4	0	0	0	0	0	111.3	E101 N161 T166	E101-A164 HydrophobicContact CB-CB 3.88Å; E101-A164 PolarHBondContact O-N 3.03Å; N161-A164 PolarHBondContact ND2-O 3.23Å; N161-A164 PolarHBondContact OD1-N 2.8Å; N161-A164 VanDerWaalsContact OD1-N 3.17Å; N161-A164 PolarHBondContact OD1-O 3.39Å; A164-T166 VanDerWaalsContact C-N 3.3Å; A164-T166 PolarHBondContact O-N 2.78Å
165	D	94.5	Very high	95.8	Very high	141 Å²	141	24 Å²	24	75%	0.754	14%	0.144	S	C	*	.	S	Bend	trans	-72.4	-25.4	175.8	-59.2	-32.4	0	0	0	112.3	D75 E76	D75-D165 CarbonylContact C-O 3.55Å; D75-D165 VanDerWaalsContact C-O 3.26Å; E76-D165 PolarHBondContact N-O 2.82Å
166	T	95.8	Very high	95.5	Very high	34 Å²	34	24.4 Å²	24.4	21%	0.209	15%	0.148	C	C	.	.	S	Bend	trans	-126.1	149.5	-179.4	65.9	0	0	0	0	112.1	E71 S72 S102 N161 A164	E71-T166 PolarHBondContact OE1-OG1 3.28Å; S72-T166 WeakPolarHBondContact O-CG2 3.35Å; S72-T166 VanDerWaalsContact OG-CA 3.32Å; S72-T166 WeakPolarHBondContact OG-CA 3.26Å; S102-T166 WeakPolarHBondContact CA-O 3.06Å; N161-T166 PolarHBondContact ND2-O 2.88Å; A164-T166 VanDerWaalsContact C-N 3.3Å; A164-T166 PolarHBondContact O-N 2.78Å
167	T	96.7	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.			trans	-100.8	131.7	174.2	-66	0	0	0	0	109.9	E71 S72 E76 L78 S102 P104 I158 N161 V169	E71-T167 WeakPolarHBondContact CA-O 3.36Å; S72-T167 PolarHBondContact N-O 3.07Å; S72-T167 PolarHBondContact OG-N 3.18Å; E76-T167 WeakPolarHBondContact CB-OG1 3.09Å; E76-T167 VanDerWaalsContact O-CB 3.31Å; E76-T167 WeakPolarHBondContact O-CB 3.27Å; E76-T167 PolarHBondContact O-OG1 3.45Å; L78-T167 HydrophobicContact CD1-CG2 3.89Å; S102-T167 WeakPolarHBondContact O-CA 3.33Å; P104-T167 HydrophobicContact CB-CG2 4.02Å; P104-T167 HydrophobicContact CG-CG2 4.5Å; I158-T167 HydrophobicContact CG2-CG2 4.11Å; N161-T167 WeakPolarHBondContact CB-OG1 3.37Å; T167-V169 HydrophobicContact CG2-CG2 4.17Å
168	I	95.5	Very high	94.9	Very high	26 Å²	26	33.9 Å²	33.9	13%	0.133	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.2	173.6	-61.7	173.2	0	0	0	109.6	F69 V70 E71 G97 G98 S102 Y170	F69-I168 HydrophobicContact CB-CG2 4.4Å; F69-I168 HydrophobicContact CD2-CG2 4.25Å; V70-I168 WeakPolarHBondContact O-CA 3.34Å; E71-I168 HydrophobicContact CB-CG1 4.22Å; E71-I168 HydrophobicContact CG-CG1 4.01Å; G97-I168 CarbonylContact C-O 3.45Å; G97-I168 WeakPolarHBondContact CA-O 3.44Å; G98-I168 PolarHBondContact N-O 3.43Å; S102-I168 PolarHBondContact O-N 2.83Å; I168-Y170 HydrophobicContact CG2-CE1 4.27Å; I168-Y170 HydrophobicContact CG2-CE2 4.04Å
169	V	96.1	Very high	94.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.5	171.8	-176.6	0	0	0	0	109.6	V54 F69 V70 L78 L95 P104 I158 T167 I172	V54-V169 WeakPolarHBondContact CG1-O 3.38Å; F69-V169 VanDerWaalsContact CA-O 3.25Å; F69-V169 WeakPolarHBondContact CA-O 3.47Å; F69-V169 WeakPolarHBondContact CB-O 3.18Å; V70-V169 HydrophobicContact CG1-CB 3.73Å; V70-V169 HydrophobicContact CG1-CG2 4.4Å; V70-V169 PolarHBondContact N-O 2.98Å; V70-V169 PolarHBondContact O-N 2.88Å; L78-V169 HydrophobicContact CD1-CG2 4.31Å; L95-V169 HydrophobicContact CD2-CG1 4.35Å; L95-V169 HydrophobicContact CG-CG1 4.2Å; P104-V169 HydrophobicContact CG-CG2 4.27Å; I158-V169 HydrophobicContact CD1-CG2 3.78Å; T167-V169 HydrophobicContact CG2-CG2 4.17Å; V169-I172 HydrophobicContact CG1-CD1 4.11Å; V169-I172 HydrophobicContact CG1-CG1 3.79Å
170	Y	95.1	Very high	93.9	Very high	39 Å²	39	36.1 Å²	36.1	15%	0.153	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-35.7	177.7	-68.8	-71	0	0	0	112.5	R56 R64 H68 F69 I96 G97 I168	R56-Y170 VanDerWaalsContact CZ-O 3.22Å; R56-Y170 PolarHBondContact NH1-O 2.9Å; R56-Y170 PolarHBondContact NH2-O 2.85Å; R64-Y170 HydrophobicContact CB-CD1 4.34Å; R64-Y170 HydrophobicContact CB-CE1 4.36Å; R64-Y170 HydrophobicContact CG-CD1 3.95Å; R64-Y170 HydrophobicContact CG-CE1 4.25Å; R64-Y170 HydrophobicContact CG-CG 4.37Å; H68-Y170 VanDerWaalsContact O-O 3.06Å; F69-Y170 HydrophobicContact CB-CD1 3.6Å; F69-Y170 HydrophobicContact CB-CE1 3.85Å; F69-Y170 HydrophobicContact CB-CG 4.45Å; F69-Y170 HydrophobicContact CD1-CE1 4.38Å; F69-Y170 HydrophobicContact CG-CD1 4.45Å; F69-Y170 HydrophobicContact CG-CE1 4.25Å; I96-Y170 HydrophobicContact CG2-CD2 4.5Å; I96-Y170 PolarHBondContact O-N 3.3Å; G97-Y170 WeakPolarHBondContact O-CD2 3.34Å; I168-Y170 HydrophobicContact CG2-CE1 4.27Å; I168-Y170 HydrophobicContact CG2-CE2 4.04Å
171	Y	95.1	Very high	93.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	139.6	-172.5	-178.7	-103.6	0	0	0	111.7	V54 R56 W58 R61 V94 L95 I96 G173	V54-Y171 WeakPolarHBondContact O-CA 3.29Å; V54-Y171 WeakPolarHBondContact O-CD2 3.16Å; R56-Y171 HydrophobicContact CG-CD2 3.79Å; R56-Y171 HydrophobicContact CG-CE2 3.73Å; R56-Y171 VanDerWaalsContact O-CE2 3.23Å; R56-Y171 WeakPolarHBondContact O-CE2 3.05Å; R56-Y171 PolarHBondContact O-OH 3.02Å; R56-Y171 VanDerWaalsContact O-OH 3.13Å; W58-Y171 AromaticContact CE3-CE1 3.93Å; W58-Y171 HydrophobicContact CE3-CE1 3.93Å; W58-Y171 HydrophobicContact CZ3-CE1 4.13Å; R61-Y171 HydrophobicContact CB-CD1 3.89Å; R61-Y171 HydrophobicContact CB-CD2 3.75Å; R61-Y171 HydrophobicContact CB-CE1 4.05Å; R61-Y171 HydrophobicContact CB-CE2 3.9Å; R61-Y171 HydrophobicContact CB-CG 3.74Å; V94-Y171 HydrophobicContact CG1-CD1 4.44Å; L95-Y171 WeakPolarHBondContact CA-O 3.16Å; I96-Y171 HydrophobicContact CD1-CD1 4.05Å; I96-Y171 HydrophobicContact CD1-CG 4.32Å; I96-Y171 HydrophobicContact CG1-CD1 4.2Å; I96-Y171 PolarHBondContact N-O 3.16Å; I96-Y171 PolarHBondContact O-N 3.17Å; Y171-G173 VanDerWaalsContact CE1-CA 3.45Å; Y171-G173 VanDerWaalsContact CE1-N 3.33Å
172	I	96.4	Very high	92	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.1	166	-57.6	176.1	0	0	0	108.1	V54 F55 F80 M93 V94 L95 I156 V169 L174	V54-I172 HydrophobicContact CG2-CB 4.27Å; V54-I172 HydrophobicContact CG2-CD1 3.95Å; V54-I172 HydrophobicContact CG2-CG1 3.95Å; V54-I172 PolarHBondContact O-N 3.22Å; F55-I172 HydrophobicContact CD1-CB 4.06Å; F55-I172 HydrophobicContact CD1-CG2 4.24Å; F55-I172 WeakPolarHBondContact CD1-O 3.49Å; F55-I172 HydrophobicContact CE1-CB 3.51Å; F55-I172 HydrophobicContact CE1-CD1 4.3Å; F55-I172 HydrophobicContact CE1-CG1 4.47Å; F55-I172 HydrophobicContact CE1-CG2 3.42Å; F55-I172 VanDerWaalsContact CE1-CG2 3.42Å; F55-I172 HydrophobicContact CE2-CD1 4.26Å; F55-I172 HydrophobicContact CZ-CB 3.77Å; F55-I172 HydrophobicContact CZ-CD1 3.66Å; F55-I172 HydrophobicContact CZ-CG1 4.25Å; F55-I172 HydrophobicContact CZ-CG2 3.89Å; F80-I172 HydrophobicContact CD2-CD1 4.27Å; F80-I172 HydrophobicContact CE2-CD1 4.11Å; F80-I172 HydrophobicContact CZ-CD1 4.29Å; M93-I172 HydrophobicContact CG-CG2 4.26Å; M93-I172 HydrophobicContact SD-CG2 4.41Å; V94-I172 CarbonylContact O-C 3.53Å; V94-I172 WeakPolarHBondContact O-CA 3.26Å; L95-I172 HydrophobicContact CD1-CD1 4.32Å; L95-I172 HydrophobicContact CD1-CG1 4.2Å; L95-I172 HydrophobicContact CG-CG1 4.19Å; I156-I172 HydrophobicContact CD1-CD1 4.39Å; I156-I172 HydrophobicContact CD1-CG2 3.98Å; V169-I172 HydrophobicContact CG1-CD1 4.11Å; V169-I172 HydrophobicContact CG1-CG1 3.79Å; I172-L174 HydrophobicContact CG2-CD2 4.38Å
173	G	95.6	Very high	90.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.9	176.1	0	0	0	0	0	110.6	M93 V94 Y171	M93-G173 CarbonylContact C-O 3.51Å; M93-G173 VanDerWaalsContact CA-O 3.28Å; M93-G173 WeakPolarHBondContact CA-O 3.31Å; V94-G173 PolarHBondContact N-O 3.37Å; V94-G173 PolarHBondContact O-N 3.24Å; Y171-G173 VanDerWaalsContact CE1-CA 3.45Å; Y171-G173 VanDerWaalsContact CE1-N 3.33Å
174	L	96.4	Very high	88.7	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.2	176.2	-61.8	178.6	0	0	0	109.9	F29 L31 F55 F84 L90 M93 L154 I172	F29-L174 CarbonylContact C-O 3.5Å; F29-L174 WeakPolarHBondContact CA-O 3.16Å; L31-L174 HydrophobicContact CB-CB 3.97Å; L31-L174 WeakPolarHBondContact CB-O 3.47Å; L31-L174 HydrophobicContact CD1-CB 4.25Å; L31-L174 PolarHBondContact N-O 2.86Å; F55-L174 HydrophobicContact CE1-CD1 4.31Å; F84-L174 HydrophobicContact CE1-CD1 4.32Å; F84-L174 HydrophobicContact CZ-CD1 3.87Å; L90-L174 HydrophobicContact CD2-CB 4.42Å; M93-L174 HydrophobicContact CB-CD2 4.2Å; M93-L174 HydrophobicContact CG-CD2 3.92Å; M93-L174 HydrophobicContact SD-CD2 4.34Å; L154-L174 HydrophobicContact CD2-CD1 3.93Å; L154-L174 HydrophobicContact CD2-CD2 4.11Å; I172-L174 HydrophobicContact CG2-CD2 4.38Å
175	D	94.3	Very high	86.8	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141	176.2	165.1	39.9	0	0	0	110.6	M28 F29 K91 K92	M28-D175 HydrophobicContact CB-CB 4.36Å; M28-D175 VanDerWaalsContact O-CA 3.28Å; M28-D175 WeakPolarHBondContact O-CA 3.38Å; F29-D175 HydrophobicContact CD1-CB 3.8Å; F29-D175 HydrophobicContact CE1-CB 3.75Å; F29-D175 HydrophobicContact CG-CB 4.48Å; F29-D175 HydrophobicContact CZ-CB 4.39Å; K91-D175 PolarHBondContact N-O 3.35Å; K92-D175 HydrophobicContact CB-CB 4.01Å; K92-D175 PolarHBondContact N-O 3.22Å; K92-D175 PolarHBondContact O-N 3.26Å
176	G	92.4	Very high	84.7	Confident	8 Å²	8	50.2 Å²	50.2	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-153.4	-180	0	0	0	0	0	113.6	K89	K89-G176 CarbonylContact O-C 3.56Å; K89-G176 WeakPolarHBondContact O-CA 3.32Å
177	Y	90.7	Very high	82.7	Confident	129 Å²	129	51.1 Å²	51.1	51%	0.506	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.3	-178.7	-58.3	-69.1	0	0	0	111.4	V88 K89 K91	V88-Y177 CarbonylContact C-O 3.35Å; V88-Y177 VanDerWaalsContact CA-O 3.27Å; V88-Y177 WeakPolarHBondContact CA-O 3Å; K89-Y177 PolarHBondContact N-O 3.4Å; K89-Y177 PolarHBondContact O-N 3.26Å; K91-Y177 HydrophobicContact CD-CE2 4.27Å; K91-Y177 PolarHBondContact NZ-OH 2.83Å
178	Y	91.9	Very high	80.8	Confident	71 Å²	71	53.7 Å²	53.7	28%	0.278	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.9	164.2	-178.3	-108.6	0	0	0	109.3	Y34 A85 V88	Y34-Y178 AromaticContact CD1-CD1 3.93Å; Y34-Y178 HydrophobicContact CD1-CD1 3.93Å; Y34-Y178 AromaticContact CD1-CD2 3.55Å; Y34-Y178 HydrophobicContact CD1-CD2 3.55Å; Y34-Y178 HydrophobicContact CD1-CE1 4.12Å; Y34-Y178 AromaticContact CD1-CE2 3.79Å; Y34-Y178 HydrophobicContact CD1-CE2 3.79Å; Y34-Y178 AromaticContact CD1-CG 3.63Å; Y34-Y178 HydrophobicContact CD1-CG 3.63Å; Y34-Y178 HydrophobicContact CD2-CD2 4.07Å; Y34-Y178 HydrophobicContact CD2-CG 4.02Å; Y34-Y178 AromaticContact CE1-CD1 3.58Å; Y34-Y178 HydrophobicContact CE1-CD1 3.58Å; Y34-Y178 HydrophobicContact CE1-CD2 4.04Å; Y34-Y178 AromaticContact CE1-CE1 3.99Å; Y34-Y178 HydrophobicContact CE1-CE1 3.99Å; Y34-Y178 HydrophobicContact CE1-CE2 4.43Å; Y34-Y178 AromaticContact CE1-CG 3.6Å; Y34-Y178 HydrophobicContact CE1-CG 3.6Å; Y34-Y178 VanDerWaalsContact CE2-CB 3.49Å; Y34-Y178 HydrophobicContact CE2-CG 4.02Å; Y34-Y178 AromaticContact CG-CD2 3.55Å; Y34-Y178 HydrophobicContact CG-CD2 3.55Å; Y34-Y178 HydrophobicContact CG-CE2 4.1Å; Y34-Y178 AromaticContact CG-CG 3.84Å; Y34-Y178 HydrophobicContact CG-CG 3.84Å; Y34-Y178 AromaticContact CZ-CD1 3.97Å; Y34-Y178 AromaticContact CZ-CG 3.8Å; A85-Y178 PolarHBondContact O-OH 2.74Å; V88-Y178 HydrophobicContact CG1-CD2 3.89Å
179	V	90.2	Very high	78.7	Confident	70 Å²	70	57.9 Å²	57.9	42%	0.424	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-40.4	-178.9	-178.3	0	0	0	0	110.5	I87 K89	I87-V179 HydrophobicContact CB-CB 4.19Å; I87-V179 HydrophobicContact CG2-CB 4.28Å; I87-V179 HydrophobicContact CG2-CG2 4.2Å; I87-V179 WeakPolarHBondContact O-CB 3.43Å; I87-V179 PolarHBondContact O-N 3.44Å; K89-V179 HydrophobicContact CD-CG2 4.16Å; K89-V179 HydrophobicContact CG-CG2 3.78Å
180	G	83.7	Confident	76.6	Confident	6 Å²	6	63.2 Å²	63.2	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.8	171.9	-177.1	0	0	0	0	0	112.9	G86 I87	G86-G180 CarbonylContact C-O 3.53Å; G86-G180 VanDerWaalsContact CA-O 3.29Å; G86-G180 WeakPolarHBondContact CA-O 3.47Å; I87-G180 PolarHBondContact N-O 2.82Å
181	P	82	Confident	74.2	Confident	50 Å²	50	67.7 Å²	67.7	33%	0.325	36%	0.356	S	S	.	.			trans	-65.1	155.4	177.6	27.4	-33.9	0	0	0	111.3	I188	P181-I188 HydrophobicContact CB-CD1 4.06Å; P181-I188 HydrophobicContact CG-CB 4.24Å; P181-I188 HydrophobicContact CG-CD1 3.8Å; P181-I188 HydrophobicContact CG-CG1 4.34Å; P181-I188 PolarHBondContact O-N 3.04Å
182	Q	69.3	Low	71.9	Confident	68 Å²	68	72.4 Å²	72.4	32%	0.318	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135	174.8	-162.9	179.7	38.7	0	0	109.5	I87 G185 I186	I87-Q182 HydrophobicContact CD1-CG 4.24Å; I87-Q182 HydrophobicContact CG1-CB 4.27Å; I87-Q182 HydrophobicContact CG1-CG 4.43Å; Q182-G185 VanDerWaalsContact CD-CA 3.46Å; Q182-G185 VanDerWaalsContact CG-C 3.47Å; Q182-G185 PolarHBondContact NE2-O 2.81Å; Q182-I186 WeakPolarHBondContact CA-O 3.32Å; Q182-I186 WeakPolarHBondContact CG-O 3.31Å
183	R	59.3	Low	69.4	Low	180 Å²	180	77.4 Å²	77.4	68%	0.679	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.8	162.9	-88.3	176	-170.4	-164.8	2.5	107.8	G185 I186 I188	R183-G185 VanDerWaalsContact C-N 3.35Å; R183-G185 PolarHBondContact O-N 3.38Å; R183-I186 PolarHBondContact N-O 3.11Å; R183-I186 PolarHBondContact O-N 3.08Å; R183-I186 VanDerWaalsContact O-O 3.1Å; R183-I188 HydrophobicContact CB-CD1 4.05Å; R183-I188 HydrophobicContact CB-CG1 3.86Å; R183-I188 VanDerWaalsContact CD-CD1 3.46Å; R183-I188 HydrophobicContact CG-CD1 3.48Å; R183-I188 VanDerWaalsContact CG-CD1 3.48Å; R183-I188 HydrophobicContact CG-CG1 3.89Å
184	H	58	Low	66.8	Low	188 Å²	188	87.8 Å²	87.8	87%	0.87	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	44.4	177.4	-55.4	96.4	0	0	0	114.4	I186	H184-I186 PolarHBondContact O-N 3.26Å
185	G	54.3	Low	64.7	Low	51 Å²	51	94.6 Å²	94.6	53%	0.526	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-7.3	179.6	0	0	0	0	0	114.9	Q182 R183	Q182-G185 VanDerWaalsContact CD-CA 3.46Å; Q182-G185 VanDerWaalsContact CG-C 3.47Å; Q182-G185 PolarHBondContact NE2-O 2.81Å; R183-G185 VanDerWaalsContact C-N 3.35Å; R183-G185 PolarHBondContact O-N 3.38Å
186	I	50.2	Low	62.5	Low	121 Å²	121	98.5 Å²	98.5	62%	0.621	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.8	-176.3	-54.9	170.1	0	0	0	109.1	Q182 R183 H184 I188	Q182-I186 WeakPolarHBondContact CA-O 3.32Å; Q182-I186 WeakPolarHBondContact CG-O 3.31Å; R183-I186 PolarHBondContact N-O 3.11Å; R183-I186 PolarHBondContact O-N 3.08Å; R183-I186 VanDerWaalsContact O-O 3.1Å; H184-I186 PolarHBondContact O-N 3.26Å; I186-I188 PolarHBondContact O-N 2.83Å
187	P	52.7	Low	60.2	Low	54 Å²	54	107.9 Å²	107.9	35%	0.351	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-56.8	129.3	171.7	12.9	-19.5	0	0	0	110.1	I87 V189	I87-P187 HydrophobicContact CD1-CB 3.79Å; I87-P187 HydrophobicContact CD1-CG 3.85Å; P187-V189 PolarHBondContact O-N 3.23Å; P187-V189 VanDerWaalsContact O-N 3.09Å
188	I	57	Low	58.4	Low	54 Å²	54	107.3 Å²	107.3	28%	0.277	58%	0.576	S	S	.	*			trans	-72.3	104.7	169.7	-50.9	174.6	0	0	0	106.3	P181 R183 I186 V190	P181-I188 HydrophobicContact CB-CD1 4.06Å; P181-I188 HydrophobicContact CG-CB 4.24Å; P181-I188 HydrophobicContact CG-CD1 3.8Å; P181-I188 HydrophobicContact CG-CG1 4.34Å; P181-I188 PolarHBondContact O-N 3.04Å; R183-I188 HydrophobicContact CB-CD1 4.05Å; R183-I188 HydrophobicContact CB-CG1 3.86Å; R183-I188 VanDerWaalsContact CD-CD1 3.46Å; R183-I188 HydrophobicContact CG-CD1 3.48Å; R183-I188 VanDerWaalsContact CG-CD1 3.48Å; R183-I188 HydrophobicContact CG-CG1 3.89Å; I186-I188 PolarHBondContact O-N 2.83Å; I188-V190 HydrophobicContact CG2-CG2 4.4Å; I188-V190 PolarHBondContact O-N 2.86Å; I188-V190 VanDerWaalsContact O-N 3.13Å
189	V	51.9	Low	56.7	Low	113 Å²	113	110.1 Å²	110.1	69%	0.685	59%	0.593	S	S	*	*			trans	-70.1	107.3	165.1	-177.5	0	0	0	0	106.2	P187 D191	P187-V189 PolarHBondContact O-N 3.23Å; P187-V189 VanDerWaalsContact O-N 3.09Å; V189-D191 PolarHBondContact O-N 3.16Å
190	V	51.3	Low	55	Low	113 Å²	113	112.5 Å²	112.5	69%	0.685	61%	0.61	S	S	*	*			trans	-82.5	102.9	166	-158.6	0	0	0	0	104.4	I188 A192	I188-V190 HydrophobicContact CG2-CG2 4.4Å; I188-V190 PolarHBondContact O-N 2.86Å; I188-V190 VanDerWaalsContact O-N 3.13Å; V190-A192 PolarHBondContact O-N 3.2Å
191	D	45.9	Very low	53.9	Low	133 Å²	133	120 Å²	120	71%	0.711	64%	0.643	S	S	*	*			trans	-57	100.7	176.9	-79.5	-38.7	0	0	0	109	V189 V193	V189-D191 PolarHBondContact O-N 3.16Å; D191-V193 HydrophobicContact CB-CG2 4.19Å; D191-V193 PolarHBondContact O-N 2.8Å
192	A	47.3	Very low	52.6	Low	99 Å²	99	124.2 Å²	124.2	82%	0.818	66%	0.663	S	S	*	*			trans	-73.7	80.6	164.5	0	0	0	0	0	107	V190 Y194	V190-A192 PolarHBondContact O-N 3.2Å; A192-Y194 PolarHBondContact O-N 3.48Å
193	V	44	Very low	51.7	Low	105 Å²	105	128.7 Å²	128.7	64%	0.636	68%	0.683	S	S	*	*			trans	-68.9	86.8	165.6	-173.1	0	0	0	0	106.6	D191 E195	D191-V193 HydrophobicContact CB-CG2 4.19Å; D191-V193 PolarHBondContact O-N 2.8Å; V193-E195 VanDerWaalsContact C-N 3.3Å; V193-E195 HydrophobicContact CG1-CG 3.56Å; V193-E195 PolarHBondContact O-N 2.99Å; V193-E195 VanDerWaalsContact O-N 3.11Å
194	Y	41.2	Very low	51	Low	220 Å²	220	129.3 Å²	129.3	86%	0.863	69%	0.691	S	S	*	*			trans	-73.9	96.6	159.5	-143.4	-91.8	0	0	0	105.4	A192 A196	A192-Y194 PolarHBondContact O-N 3.48Å; Y194-A196 PolarHBondContact O-N 3.23Å
195	E	50.4	Low	50.6	Low	147 Å²	147	127.5 Å²	127.5	69%	0.687	69%	0.686	S	S	*	*			trans	-66.3	78.1	174.2	-68.3	-167.7	163.4	0	0	109.6	V193 R197	V193-E195 VanDerWaalsContact C-N 3.3Å; V193-E195 HydrophobicContact CG1-CG 3.56Å; V193-E195 PolarHBondContact O-N 2.99Å; V193-E195 VanDerWaalsContact O-N 3.11Å; E195-R197 PolarHBondContact O-N 3.03Å; E195-R197 VanDerWaalsContact O-N 3.16Å
196	A	48.3	Very low	50.2	Low	89 Å²	89	133.2 Å²	133.2	74%	0.736	70%	0.699	S	S	*	*			trans	-82.6	60.1	156	0	0	0	0	0	108.3	Y194	Y194-A196 PolarHBondContact O-N 3.23Å
197	R	44.3	Very low	49.6	Very low	204 Å²	204	134.3 Å²	134.3	77%	0.77	71%	0.706	S	S	*	*			trans	-85.8	117.1	156.9	-71.4	-172.4	-179.2	-170.6	2.8	105.4	E195 M199	E195-R197 PolarHBondContact O-N 3.03Å; E195-R197 VanDerWaalsContact O-N 3.16Å; R197-M199 PolarHBondContact O-N 3.05Å
198	P	53.4	Low	49.1	Very low	118 Å²	118	139.4 Å²	139.4	77%	0.766	73%	0.73	S	S	*	*			trans	-57.3	110.1	166.4	-11.8	24.6	0	0	0	106.4	P200	P198-P200 WeakPolarHBondContact O-CD 3.45Å
199	M	55.5	Low	48.1	Very low	129 Å²	129	144.7 Å²	144.7	64%	0.635	75%	0.753	S	S	*	*			trans	-72	112.8	171.7	-109.8	174.1	-179.8	0	0	106.4	R197 Q201 D202	R197-M199 PolarHBondContact O-N 3.05Å; M199-Q201 PolarHBondContact O-N 3.48Å; M199-D202 PolarHBondContact O-N 3.03Å
200	P	55.7	Low	47.5	Very low	121 Å²	121	147.8 Å²	147.8	79%	0.786	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	1.8	-178.8	-17.1	32.7	0	0	0	113.4	P198	P198-P200 WeakPolarHBondContact O-CD 3.45Å
201	Q	60.3	Low	46.9	Very low	164 Å²	164	147.4 Å²	147.4	77%	0.766	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-11.1	178.8	-78.2	178.9	-30.2	0	0	114.1	M199	M199-Q201 PolarHBondContact O-N 3.48Å
202	D	54.1	Low	46.5	Very low	138 Å²	138	144.9 Å²	144.9	74%	0.738	77%	0.766	S	S	*	*	S	Bend	trans	-88.7	0.6	178.1	-84.8	-26.6	0	0	0	114.2	M199 K204	M199-D202 PolarHBondContact O-N 3.03Å; D202-K204 PolarHBondContact O-N 3.5Å
203	H	51.6	Low	45.9	Very low	161 Å²	161	149.7 Å²	149.7	75%	0.745	77%	0.772	S	S	*	*			trans	-93.1	86.1	166.7	-68.9	179	0	0	0	109.9	I205	H203-I205 PolarHBondContact O-N 3.28Å; H203-I205 VanDerWaalsContact O-N 3.07Å
204	K	44.9	Very low	45.6	Very low	194 Å²	194	148.1 Å²	148.1	84%	0.843	78%	0.777	S	S	*	*			trans	-69.5	99.9	163.1	-70.5	-179.1	-177.7	175.4	0	108.2	D202 E206	D202-K204 PolarHBondContact O-N 3.5Å; K204-E206 PolarHBondContact O-N 3.08Å
205	I	48.5	Very low	45.7	Very low	150 Å²	150	148.6 Å²	148.6	77%	0.769	78%	0.777	S	S	*	*			trans	-69.4	107.2	162.4	-57.6	173.1	0	0	0	105.6	H203 N207	H203-I205 PolarHBondContact O-N 3.28Å; H203-I205 VanDerWaalsContact O-N 3.07Å; I205-N207 PolarHBondContact O-N 3.4Å; I205-N207 VanDerWaalsContact O-N 3.15Å
206	E	45.7	Very low	45.3	Very low	171 Å²	171	148 Å²	148	80%	0.799	77%	0.774	S	S	*	*			trans	-64.3	112	169.4	-72	-174.8	156	0	0	108.4	K204 L208	K204-E206 PolarHBondContact O-N 3.08Å; E206-L208 PolarHBondContact O-N 2.84Å
207	N	38	Very low	45.1	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	77%	0.773	S	S	*	*			trans	-56.3	104	169	-76.8	-29	0	0	0	109.5	I205 E209	I205-N207 PolarHBondContact O-N 3.4Å; I205-N207 VanDerWaalsContact O-N 3.15Å; N207-E209 VanDerWaalsContact C-N 3.32Å; N207-E209 PolarHBondContact O-N 3.43Å
208	L	42.8	Very low	45.1	Very low	161 Å²	161	149 Å²	149	84%	0.843	77%	0.774	S	S	*	*			trans	-93.6	71.2	159.4	-77	160.1	0	0	0	108.2	E206 H210	E206-L208 PolarHBondContact O-N 2.84Å; L208-H210 PolarHBondContact O-N 3.41Å
209	E	34.3	Very low	44.9	Very low	165 Å²	165	152 Å²	152	77%	0.771	78%	0.777	S	S	*	*			trans	-76	102	155.1	-76	-171.4	141	0	0	107.2	N207	N207-E209 VanDerWaalsContact C-N 3.32Å; N207-E209 PolarHBondContact O-N 3.43Å
210	H	40.9	Very low	44.2	Very low	179 Å²	179	151 Å²	151	83%	0.829	78%	0.779	S	S	*	*			trans	-158.3	123.3	158.5	-88.5	153.8	0	0	0	111.7	L208	L208-H210 PolarHBondContact O-N 3.41Å
211	A	37.2	Very low	43.9	Very low	104 Å²	104	153.4 Å²	153.4	86%	0.86	78%	0.784	S	S	*	*			trans	71.1	144	155.3	0	0	0	0	0	117.1
212	A	38.2	Very low	42.9	Very low	81 Å²	81	156 Å²	156	67%	0.669	79%	0.788	S	S	*	*			cis	-172.6	145.2	-14.7	0	0	0	0	0	104.2
213	E	35.1	Very low	42.1	Very low	200 Å²	200	156.4 Å²	156.4	94%	0.935	83%	0.826	S	S	*	*			trans	41.8	115.2	146.4	-59.1	-178.2	156.6	0	0	120.4
214	G	38.2	Very low	41.6	Very low	72 Å²	72	156.2 Å²	156.2	74%	0.742	83%	0.83	S	S	*	*			trans	165.8	87.2	155.6	0	0	0	0	0	116.5
215	R	41.5	Very low	41.4	Very low	230 Å²	230	154.2 Å²	154.2	87%	0.868	83%	0.829	S	S	*	*				29.8	132.3	123.8	-73	-169.2	-159.9	-168.6	6.9	116.7
216	Q	42.3	Very low	41.1	Very low	133 Å²	133	154.4 Å²	154.4	62%	0.621	83%	0.832	S	S	*	*			cis	170.7	165	21.7	-152.3	169.9	-6.2	0	0	107.2
217	F	44.5	Very low	40.8	Very low	161 Å²	161	153.5 Å²	153.5	71%	0.706	83%	0.834	S	S	*	*			trans	75.7	99.8	165.2	-58.1	-75.5	0	0	0	117
218	I	45.3	Very low	41	Very low	155 Å²	155	154.1 Å²	154.1	80%	0.795	84%	0.839	S	S	*	*				47.7	102.2	74.9	-48.7	178.2	0	0	0	112.9
219	E	47.6	Very low	40.8	Very low	179 Å²	179	153.7 Å²	153.7	84%	0.836	84%	0.838	S	S	*	*				-170.5	140.9	127.9	-113.9	174.5	-179.3	0	0	113.6
220	T	42.5	Very low	41.3	Very low	108 Å²	108	152.9 Å²	152.9	66%	0.663	84%	0.843	S	S	*	*			trans	86.7	81.9	157.3	-25.2	0	0	0	0	119.3	Y222	T220-Y222 HydrophobicContact CG2-CD2 3.88Å; T220-Y222 HydrophobicContact CG2-CE2 4.02Å
221	L	48.7	Very low	41.3	Very low	172 Å²	172	150.8 Å²	150.8	90%	0.901	84%	0.844	S	S	*	*			trans	-93.5	118.7	140.5	-101.5	157.3	0	0	0	108.3
222	Y	39.8	Very low	41.7	Very low	218 Å²	218	154.8 Å²	154.8	86%	0.855	84%	0.843	S	S	*	*			trans	-70.5	135.5	150.6	-87.1	-102.6	0	0	0	108	T220	T220-Y222 HydrophobicContact CG2-CD2 3.88Å; T220-Y222 HydrophobicContact CG2-CE2 4.02Å
223	G	36.5	Very low	42	Very low	148 Å²	148	161.5 Å²	161.5	100%	1.526	86%	0.859	S	S	*	*			trans	105	0	164.2	0	0	0	0	0	115

Retrieved 223 of 223 residues in 166.1 ms (Link to these results)

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