A0A3Q0KC86_SCHMA Loading...

Guanine nucleotide-binding protein subunit beta

AlphaFold DB , UniProt , Accession A0A3Q0KC86, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 339 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	69.1	Low	92.3	Very high	159 Å²	159	104.2 Å²	104.2	78%	0.783	52%	0.517	S	S	*	.				0	126.1	0	-134.4	-175.9	-79.2	0	0	106	D5 Q6	M1-D5 HydrophobicContact CG-CB 3.76Å; M1-D5 HydrophobicContact SD-CB 4.49Å; M1-Q6 HydrophobicContact CB-CG 4.3Å; M1-Q6 HydrophobicContact SD-CG 4.08Å
2	S	89.3	Confident	92.5	Very high	66 Å²	66	102.5 Å²	102.5	46%	0.462	51%	0.506	S	S	.	.			trans	-62.6	152.9	174.6	179.9	0	0	0	0	109.5	L4 D5 Q6	S2-L4 PolarHBondContact O-N 3.47Å; S2-L4 PolarHBondContact OG-N 3.5Å; S2-D5 WeakPolarHBondContact CB-OD2 3.26Å; S2-D5 PolarHBondContact N-OD2 3.3Å; S2-D5 WeakPolarHBondContact O-CB 3.49Å; S2-D5 PolarHBondContact O-N 3.01Å; S2-Q6 PolarHBondContact O-N 3.29Å; S2-Q6 VanDerWaalsContact O-N 3.11Å
3	E	94.2	Very high	92.8	Very high	148 Å²	148	102.7 Å²	102.7	69%	0.692	51%	0.505	S	S	*	.	H	α-helix	trans	-52.7	-38.1	169.2	-176.4	-180	173.3	0	0	110.8	D5 Q6 L7	E3-D5 VanDerWaalsContact C-N 3.33Å; E3-D5 PolarHBondContact O-N 3.17Å; E3-Q6 PolarHBondContact O-N 3.41Å; E3-L7 HydrophobicContact CG-CD1 4.48Å; E3-L7 WeakPolarHBondContact O-CG 3.34Å; E3-L7 PolarHBondContact O-N 3.23Å
4	L	94.9	Very high	93	Very high	91 Å²	91	101.6 Å²	101.6	48%	0.476	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-39.6	174.6	-178.6	64.2	0	0	0	113	S2 R8	S2-L4 PolarHBondContact O-N 3.47Å; S2-L4 PolarHBondContact OG-N 3.5Å; L4-R8 WeakPolarHBondContact O-CB 3.42Å; L4-R8 VanDerWaalsContact O-CG 3.3Å; L4-R8 WeakPolarHBondContact O-CG 3.32Å; L4-R8 PolarHBondContact O-N 3.27Å
5	D	95.2	Very high	92.9	Very high	70 Å²	70	100.8 Å²	100.8	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-70.2	-37.6	-179.8	-63.2	-34.1	0	0	0	110.7	M1 S2 E3 R8 Q9	M1-D5 HydrophobicContact CG-CB 3.76Å; M1-D5 HydrophobicContact SD-CB 4.49Å; S2-D5 WeakPolarHBondContact CB-OD2 3.26Å; S2-D5 PolarHBondContact N-OD2 3.3Å; S2-D5 WeakPolarHBondContact O-CB 3.49Å; S2-D5 PolarHBondContact O-N 3.01Å; E3-D5 VanDerWaalsContact C-N 3.33Å; E3-D5 PolarHBondContact O-N 3.17Å; D5-R8 PolarHBondContact O-N 3.25Å; D5-Q9 WeakPolarHBondContact O-CB 3.49Å; D5-Q9 PolarHBondContact O-N 2.8Å
6	Q	95.7	Very high	92.9	Very high	110 Å²	110	99.9 Å²	99.9	51%	0.514	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-48.7	175.1	-67.8	178.2	-5.8	0	0	110.8	M1 S2 E3 R8 Q9 E10	M1-Q6 HydrophobicContact CB-CG 4.3Å; M1-Q6 HydrophobicContact SD-CG 4.08Å; S2-Q6 PolarHBondContact O-N 3.29Å; S2-Q6 VanDerWaalsContact O-N 3.11Å; E3-Q6 PolarHBondContact O-N 3.41Å; Q6-R8 VanDerWaalsContact C-N 3.35Å; Q6-R8 PolarHBondContact O-N 3.4Å; Q6-Q9 PolarHBondContact O-N 3.22Å; Q6-E10 WeakPolarHBondContact O-CB 3.41Å; Q6-E10 PolarHBondContact O-N 3.09Å
7	L	96.7	Very high	92.9	Very high	96 Å²	96	101.6 Å²	101.6	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-38.5	177.9	-70.2	172.9	0	0	0	112.6	E3 S11	E3-L7 HydrophobicContact CG-CD1 4.48Å; E3-L7 WeakPolarHBondContact O-CG 3.34Å; E3-L7 PolarHBondContact O-N 3.23Å; L7-S11 WeakPolarHBondContact O-CB 3.5Å; L7-S11 PolarHBondContact O-N 3.29Å
8	R	95	Very high	92.7	Very high	155 Å²	155	100.8 Å²	100.8	59%	0.585	50%	0.498	S	S	*	.	H	α-helix	trans	-63.6	-44.7	174.3	-78.4	175.1	174.9	179.1	-2.3	111.6	L4 D5 Q6 S11 E12	L4-R8 WeakPolarHBondContact O-CB 3.42Å; L4-R8 VanDerWaalsContact O-CG 3.3Å; L4-R8 WeakPolarHBondContact O-CG 3.32Å; L4-R8 PolarHBondContact O-N 3.27Å; D5-R8 PolarHBondContact O-N 3.25Å; Q6-R8 VanDerWaalsContact C-N 3.35Å; Q6-R8 PolarHBondContact O-N 3.4Å; R8-S11 PolarHBondContact O-N 3.23Å; R8-E12 PolarHBondContact O-N 3.48Å
9	Q	95.5	Very high	92.4	Very high	97 Å²	97	103.4 Å²	103.4	45%	0.453	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-43.6	178.3	-173.4	176	10.5	0	0	111.4	D5 Q6 E12 Q13	D5-Q9 WeakPolarHBondContact O-CB 3.49Å; D5-Q9 PolarHBondContact O-N 2.8Å; Q6-Q9 PolarHBondContact O-N 3.22Å; Q9-E12 PolarHBondContact O-N 2.68Å; Q9-Q13 WeakPolarHBondContact O-CB 3.44Å; Q9-Q13 VanDerWaalsContact O-CG 3.29Å; Q9-Q13 WeakPolarHBondContact O-CG 3.29Å; Q9-Q13 PolarHBondContact O-N 2.78Å
10	E	96.5	Very high	92.1	Very high	102 Å²	102	101.5 Å²	101.5	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-61	-44.8	175.4	-175.2	177.3	-170.2	0	0	111.4	Q6 E12 Q13 L14	Q6-E10 WeakPolarHBondContact O-CB 3.41Å; Q6-E10 PolarHBondContact O-N 3.09Å; E10-E12 PolarHBondContact O-N 3.13Å; E10-Q13 WeakPolarHBondContact O-CB 3.46Å; E10-Q13 PolarHBondContact O-N 2.95Å; E10-L14 HydrophobicContact CG-CD1 4.18Å; E10-L14 WeakPolarHBondContact O-CG 3.34Å; E10-L14 PolarHBondContact O-N 2.94Å
11	S	93.8	Very high	91.5	Very high	52 Å²	52	104.3 Å²	104.3	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-57.8	-47.2	176.4	-173.2	0	0	0	0	112.2	L7 R8 L14 K15	L7-S11 WeakPolarHBondContact O-CB 3.5Å; L7-S11 PolarHBondContact O-N 3.29Å; R8-S11 PolarHBondContact O-N 3.23Å; S11-L14 PolarHBondContact O-N 3.19Å; S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 3.22Å
12	E	94.5	Very high	92	Very high	84 Å²	84	102 Å²	102	39%	0.393	49%	0.494	S	S	.	.	H	α-helix	trans	-67.1	-36.1	177.8	-71.2	-55.5	128.8	0	0	112.6	R8 Q9 E10 K15 N16	R8-E12 PolarHBondContact O-N 3.48Å; Q9-E12 PolarHBondContact O-N 2.68Å; E10-E12 PolarHBondContact O-N 3.13Å; E12-K15 PolarHBondContact O-N 3.39Å; E12-K15 WeakPolarHBondContact OE1-CD 3.4Å; E12-K15 IonicContact OE1-NZ 2.72Å; E12-K15 PolarHBondContact OE1-NZ 3.39Å; E12-N16 WeakPolarHBondContact O-CB 3.5Å; E12-N16 VanDerWaalsContact O-CG 3.24Å; E12-N16 PolarHBondContact O-N 3.04Å; E12-N16 PolarHBondContact O-ND2 3.42Å; E12-N16 VanDerWaalsContact O-ND2 3.15Å
13	Q	96.3	Very high	91.6	Very high	105 Å²	105	103.3 Å²	103.3	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-61.8	-47.5	173	-75.6	173.8	-5.8	0	0	111.6	Q9 E10 K15 N16 M17	Q9-Q13 WeakPolarHBondContact O-CB 3.44Å; Q9-Q13 VanDerWaalsContact O-CG 3.29Å; Q9-Q13 WeakPolarHBondContact O-CG 3.29Å; Q9-Q13 PolarHBondContact O-N 2.78Å; E10-Q13 WeakPolarHBondContact O-CB 3.46Å; E10-Q13 PolarHBondContact O-N 2.95Å; Q13-K15 PolarHBondContact O-N 2.76Å; Q13-N16 PolarHBondContact O-N 3.15Å; Q13-M17 WeakPolarHBondContact O-CG 3.49Å; Q13-M17 PolarHBondContact O-N 3.49Å
14	L	95.2	Very high	91.1	Very high	88 Å²	88	99.7 Å²	99.7	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-42.1	177.4	-70.5	172.2	0	0	0	111.7	E10 S11 N16 M17 I18	E10-L14 HydrophobicContact CG-CD1 4.18Å; E10-L14 WeakPolarHBondContact O-CG 3.34Å; E10-L14 PolarHBondContact O-N 2.94Å; S11-L14 PolarHBondContact O-N 3.19Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.22Å; L14-M17 HydrophobicContact CD2-SD 4.4Å; L14-M17 WeakPolarHBondContact O-CB 3.37Å; L14-M17 PolarHBondContact O-N 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.24Å; L14-I18 PolarHBondContact O-N 2.85Å
15	K	92.2	Very high	90.8	Very high	89 Å²	89	98 Å²	98	39%	0.387	50%	0.503	S	S	.	.	H	α-helix	trans	-59.6	-41.6	173.7	-73.5	175.5	-167.7	170.6	0	111.9	S11 E12 Q13 I18 R19	S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 3.22Å; E12-K15 PolarHBondContact O-N 3.39Å; E12-K15 WeakPolarHBondContact OE1-CD 3.4Å; E12-K15 IonicContact OE1-NZ 2.72Å; E12-K15 PolarHBondContact OE1-NZ 3.39Å; Q13-K15 PolarHBondContact O-N 2.76Å; K15-I18 PolarHBondContact O-N 3.44Å; K15-R19 WeakPolarHBondContact O-CG 3.04Å; K15-R19 PolarHBondContact O-N 2.96Å
16	N	92.1	Very high	90.7	Very high	86 Å²	86	102 Å²	102	46%	0.46	52%	0.524	S	S	.	.	H	α-helix	trans	-66.4	-38.8	177	-72.1	-29.6	0	0	0	112	E12 Q13 L14 I18 R19 A20	E12-N16 WeakPolarHBondContact O-CB 3.5Å; E12-N16 VanDerWaalsContact O-CG 3.24Å; E12-N16 PolarHBondContact O-N 3.04Å; E12-N16 PolarHBondContact O-ND2 3.42Å; E12-N16 VanDerWaalsContact O-ND2 3.15Å; Q13-N16 PolarHBondContact O-N 3.15Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.22Å; N16-I18 VanDerWaalsContact C-N 3.33Å; N16-I18 PolarHBondContact O-N 3.48Å; N16-R19 PolarHBondContact O-N 2.96Å; N16-A20 PolarHBondContact O-N 3.35Å
17	M	92.4	Very high	90.6	Very high	130 Å²	130	100 Å²	100	64%	0.64	52%	0.52	S	S	*	.	H	α-helix	trans	-62.2	-39.4	172.6	-70	176.5	66	0	0	112.2	Q13 L14 A20	Q13-M17 WeakPolarHBondContact O-CG 3.49Å; Q13-M17 PolarHBondContact O-N 3.49Å; L14-M17 HydrophobicContact CD2-SD 4.4Å; L14-M17 WeakPolarHBondContact O-CB 3.37Å; L14-M17 PolarHBondContact O-N 3.3Å; M17-A20 PolarHBondContact O-N 2.7Å
18	I	90.6	Very high	90.4	Very high	87 Å²	87	98.8 Å²	98.8	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-68	-45.3	175.3	-67.1	165.5	0	0	0	110.5	L14 K15 N16 A20 R21	L14-I18 WeakPolarHBondContact O-CG1 3.24Å; L14-I18 PolarHBondContact O-N 2.85Å; K15-I18 PolarHBondContact O-N 3.44Å; N16-I18 VanDerWaalsContact C-N 3.33Å; N16-I18 PolarHBondContact O-N 3.48Å; I18-A20 PolarHBondContact O-N 3.21Å; I18-R21 WeakPolarHBondContact O-CA 3.35Å; I18-R21 WeakPolarHBondContact O-CB 3.46Å; I18-R21 WeakPolarHBondContact O-CG 3.4Å; I18-R21 PolarHBondContact O-N 2.78Å
19	R	86.8	Confident	90.5	Very high	149 Å²	149	92.9 Å²	92.9	56%	0.562	50%	0.496	S	S	*	.	H	α-helix	trans	-59.2	-34.9	176.1	-75.6	175.9	-180	170.1	-1.7	112.3	K15 N16 R21 K22	K15-R19 WeakPolarHBondContact O-CG 3.04Å; K15-R19 PolarHBondContact O-N 2.96Å; N16-R19 PolarHBondContact O-N 2.96Å; R19-R21 PolarHBondContact O-N 2.89Å; R19-K22 VanDerWaalsContact O-CB 3.24Å; R19-K22 WeakPolarHBondContact O-CB 3.17Å; R19-K22 WeakPolarHBondContact O-CG 3.45Å; R19-K22 PolarHBondContact O-N 3.12Å
20	A	85.2	Confident	90.4	Very high	66 Å²	66	92.2 Å²	92.2	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-23.4	174.3	0	0	0	0	0	112.8	N16 M17 I18 K22 A23	N16-A20 PolarHBondContact O-N 3.35Å; M17-A20 PolarHBondContact O-N 2.7Å; I18-A20 PolarHBondContact O-N 3.21Å; A20-K22 PolarHBondContact O-N 3.25Å; A20-A23 WeakPolarHBondContact O-CB 3.35Å; A20-A23 PolarHBondContact O-N 2.97Å; A20-A23 VanDerWaalsContact O-N 3.09Å
21	R	80.3	Confident	90.4	Very high	161 Å²	161	93 Å²	93	61%	0.608	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-65.3	-21.3	172.6	-59.1	179.5	176.9	176	-2.1	113	I18 R19 A23 A24 D257	I18-R21 WeakPolarHBondContact O-CA 3.35Å; I18-R21 WeakPolarHBondContact O-CB 3.46Å; I18-R21 WeakPolarHBondContact O-CG 3.4Å; I18-R21 PolarHBondContact O-N 2.78Å; R19-R21 PolarHBondContact O-N 2.89Å; R21-A23 PolarHBondContact O-N 3.46Å; R21-A24 WeakPolarHBondContact O-CB 3.5Å; R21-A24 PolarHBondContact O-N 3.25Å; R21-D257 IonicContact NH1-OD2 2.86Å
22	K	79.3	Confident	90.5	Very high	111 Å²	111	94 Å²	94	48%	0.483	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-58.5	-19	171	-64.8	-170.2	174.6	-166.9	0	112.5	R19 A20 A24 A25	R19-K22 VanDerWaalsContact O-CB 3.24Å; R19-K22 WeakPolarHBondContact O-CB 3.17Å; R19-K22 WeakPolarHBondContact O-CG 3.45Å; R19-K22 PolarHBondContact O-N 3.12Å; A20-K22 PolarHBondContact O-N 3.25Å; K22-A24 PolarHBondContact O-N 2.9Å; K22-A24 VanDerWaalsContact O-N 3.16Å; K22-A25 VanDerWaalsContact O-CB 3.29Å; K22-A25 WeakPolarHBondContact O-CB 3.29Å; K22-A25 PolarHBondContact O-N 3.27Å
23	A	81.7	Confident	90.6	Very high	93 Å²	93	90.4 Å²	90.4	77%	0.769	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-62.7	-13.9	170.6	0	0	0	0	0	113.6	A20 R21 A25	A20-A23 WeakPolarHBondContact O-CB 3.35Å; A20-A23 PolarHBondContact O-N 2.97Å; A20-A23 VanDerWaalsContact O-N 3.09Å; R21-A23 PolarHBondContact O-N 3.46Å; A23-A25 PolarHBondContact O-N 3.02Å
24	A	84.3	Confident	90.6	Very high	72 Å²	72	89 Å²	89	60%	0.595	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-75.4	-6.3	171.6	0	0	0	0	0	113.6	R21 K22 D26	R21-A24 WeakPolarHBondContact O-CB 3.5Å; R21-A24 PolarHBondContact O-N 3.25Å; K22-A24 PolarHBondContact O-N 2.9Å; K22-A24 VanDerWaalsContact O-N 3.16Å; A24-D26 VanDerWaalsContact C-N 3.33Å; A24-D26 PolarHBondContact O-N 3.09Å
25	A	87.5	Confident	90.6	Very high	55 Å²	55	92.3 Å²	92.3	46%	0.455	52%	0.515	S	S	.	.			trans	-71.8	86.1	172.3	0	0	0	0	0	110.6	K22 A23	K22-A25 VanDerWaalsContact O-CB 3.29Å; K22-A25 WeakPolarHBondContact O-CB 3.29Å; K22-A25 PolarHBondContact O-N 3.27Å; A23-A25 PolarHBondContact O-N 3.02Å
26	D	92.5	Very high	90.9	Very high	153 Å²	153	90.7 Å²	90.7	82%	0.818	51%	0.512	S	S	*	.			trans	-82.4	-20.3	-179.4	64.9	-25.3	0	0	0	113.5	A24	A24-D26 VanDerWaalsContact C-N 3.33Å; A24-D26 PolarHBondContact O-N 3.09Å
27	T	94	Very high	91.1	Very high	70 Å²	70	94.5 Å²	94.5	43%	0.429	53%	0.527	S	S	.	.	S	Bend	trans	-148.4	172.3	177.2	-167	0	0	0	0	111
28	T	93.8	Very high	91.2	Very high	69 Å²	69	92 Å²	92	42%	0.423	52%	0.521	S	S	.	.			trans	-113	156.8	171.9	61	0	0	0	0	110.6	L30 Q31 A32	T28-L30 PolarHBondContact O-N 3.3Å; T28-Q31 PolarHBondContact O-N 2.69Å; T28-Q31 VanDerWaalsContact O-N 3.16Å; T28-Q31 WeakPolarHBondContact OG1-CB 3.16Å; T28-Q31 VanDerWaalsContact OG1-CG 3.26Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.29Å; T28-Q31 PolarHBondContact OG1-N 3.06Å; T28-Q31 PolarHBondContact OG1-OE1 3.38Å; T28-Q31 VanDerWaalsContact OG1-OE1 3.09Å; T28-A32 WeakPolarHBondContact O-CB 3.36Å; T28-A32 PolarHBondContact O-N 3.03Å
29	L	95.1	Very high	91.5	Very high	32 Å²	32	90 Å²	90	17%	0.168	51%	0.512	C	S	.	.	H	α-helix	trans	-57.3	-35.8	175.1	-178.8	61.1	0	0	0	112.2	S33 F251 I260 T298 L299	L29-S33 VanDerWaalsContact O-CB 3.28Å; L29-S33 WeakPolarHBondContact O-CB 3.21Å; L29-S33 PolarHBondContact O-N 3.27Å; L29-S33 PolarHBondContact O-OG 2.96Å; L29-F251 HydrophobicContact CD2-CD1 3.9Å; L29-F251 HydrophobicContact CD2-CE1 4.15Å; L29-I260 WeakPolarHBondContact CB-O 3.32Å; L29-I260 HydrophobicContact CD2-CD1 4.4Å; L29-T298 VanDerWaalsContact CD2-O 3.27Å; L29-T298 WeakPolarHBondContact CD2-O 3.33Å; L29-L299 HydrophobicContact CD1-CD2 4.08Å
30	L	95.1	Very high	91.9	Very high	82 Å²	82	85 Å²	85	43%	0.429	51%	0.506	S	S	.	.	H	α-helix	trans	-66.3	-42.8	178.1	-174.2	63.9	0	0	0	112	T28 S33 S34	T28-L30 PolarHBondContact O-N 3.3Å; L30-S33 PolarHBondContact O-OG 3.38Å; L30-S34 PolarHBondContact O-N 3.41Å
31	Q	95.7	Very high	92.5	Very high	120 Å²	120	91.6 Å²	91.6	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-67	-45.7	175.2	-74.7	167.5	-29.3	0	0	111.5	T28 S33 S34	T28-Q31 PolarHBondContact O-N 2.69Å; T28-Q31 VanDerWaalsContact O-N 3.16Å; T28-Q31 WeakPolarHBondContact OG1-CB 3.16Å; T28-Q31 VanDerWaalsContact OG1-CG 3.26Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.29Å; T28-Q31 PolarHBondContact OG1-N 3.06Å; T28-Q31 PolarHBondContact OG1-OE1 3.38Å; T28-Q31 VanDerWaalsContact OG1-OE1 3.09Å; Q31-S33 PolarHBondContact O-N 2.6Å; Q31-S34 WeakPolarHBondContact O-CB 3.16Å; Q31-S34 PolarHBondContact O-N 3.33Å; Q31-S34 PolarHBondContact O-OG 3.42Å
32	A	95.9	Very high	93.3	Very high	73 Å²	73	85.9 Å²	85.9	60%	0.603	50%	0.498	S	S	*	.	H	α-helix	trans	-63.1	-28.5	179.3	0	0	0	0	0	113	T28	T28-A32 WeakPolarHBondContact O-CB 3.36Å; T28-A32 PolarHBondContact O-N 3.03Å
33	S	96.3	Very high	94.1	Very high	8 Å²	8	86.5 Å²	86.5	6%	0.056	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	16	-179.8	69.7	0	0	0	0	114	L29 L30 Q31 N35 V36 L299 K300	L29-S33 VanDerWaalsContact O-CB 3.28Å; L29-S33 WeakPolarHBondContact O-CB 3.21Å; L29-S33 PolarHBondContact O-N 3.27Å; L29-S33 PolarHBondContact O-OG 2.96Å; L30-S33 PolarHBondContact O-OG 3.38Å; Q31-S33 PolarHBondContact O-N 2.6Å; S33-N35 PolarHBondContact O-N 3.23Å; S33-N35 VanDerWaalsContact O-N 3.13Å; S33-V36 WeakPolarHBondContact O-CB 3.39Å; S33-V36 PolarHBondContact O-N 3.38Å; S33-L299 PolarHBondContact OG-O 3.28Å; S33-K300 PolarHBondContact O-NZ 3.18Å
34	S	95.6	Very high	94.8	Very high	74 Å²	74	84.5 Å²	84.5	52%	0.517	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.5	-176.3	66.1	0	0	0	0	113.1	L30 Q31 V36 K300	L30-S34 PolarHBondContact O-N 3.41Å; Q31-S34 WeakPolarHBondContact O-CB 3.16Å; Q31-S34 PolarHBondContact O-N 3.33Å; Q31-S34 PolarHBondContact O-OG 3.42Å; S34-V36 VanDerWaalsContact C-N 3.3Å; S34-V36 PolarHBondContact O-N 2.79Å; S34-K300 PolarHBondContact O-NZ 2.85Å
35	N	97	Very high	95.5	Very high	159 Å²	159	89.2 Å²	89.2	85%	0.85	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.5	-176.2	-62.2	-19.2	0	0	0	114.2	S33	S33-N35 PolarHBondContact O-N 3.23Å; S33-N35 VanDerWaalsContact O-N 3.13Å
36	V	97.1	Very high	96	Very high	55 Å²	55	88.8 Å²	88.8	33%	0.333	47%	0.473	S	S	.	.	S	Bend	trans	-83.5	135	177.1	-176.7	0	0	0	0	109	S33 S34 L299 K300	S33-V36 WeakPolarHBondContact O-CB 3.39Å; S33-V36 PolarHBondContact O-N 3.38Å; S34-V36 VanDerWaalsContact C-N 3.3Å; S34-V36 PolarHBondContact O-N 2.79Å; V36-L299 HydrophobicContact CB-CD1 4.47Å; V36-L299 HydrophobicContact CG1-CD1 3.96Å; V36-L299 HydrophobicContact CG2-CD1 4.33Å; V36-K300 WeakPolarHBondContact O-CE 3.34Å; V36-K300 PolarHBondContact O-NZ 3.41Å
37	E	96.6	Very high	96.2	Very high	165 Å²	165	86.9 Å²	86.9	77%	0.771	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-71.7	143.4	174.3	-66.1	-176.2	162.8	0	0	111.2	R282	E37-R282 PolarHBondContact O-NH2 3.26Å
38	P	95.6	Very high	96.4	Very high	79 Å²	79	88.8 Å²	88.8	51%	0.513	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-57.5	147.7	172.7	-22	32.9	0	0	0	111.9	G40 K300	P38-G40 PolarHBondContact O-N 3.35Å; P38-G40 VanDerWaalsContact O-N 3.08Å; P38-K300 HydrophobicContact CB-CG 4.47Å
39	V	96.4	Very high	96.6	Very high	45 Å²	45	86.9 Å²	86.9	27%	0.273	44%	0.442	S	S	.	.			trans	-63.3	-14.8	178.3	-68.7	0	0	0	0	114.4	I42 R282 L283 D297 A304	V39-I42 HydrophobicContact CG2-CG1 4.4Å; V39-R282 HydrophobicContact CG1-CG 3.54Å; V39-L283 HydrophobicContact CG1-CD2 4.18Å; V39-L283 HydrophobicContact CG2-CD2 4.14Å; V39-D297 HydrophobicContact CG2-CB 3.94Å; V39-D297 PolarHBondContact N-OD2 2.91Å; V39-D297 VanDerWaalsContact N-OD2 3.14Å; V39-A304 HydrophobicContact CG2-CB 3.47Å; V39-A304 VanDerWaalsContact CG2-CB 3.47Å
40	G	95.9	Very high	96.8	Very high	42 Å²	42	85.3 Å²	85.3	43%	0.433	43%	0.434	S	S	.	.			trans	73.8	-173.3	-171.6	0	0	0	0	0	112.7	P38 I42	P38-G40 PolarHBondContact O-N 3.35Å; P38-G40 VanDerWaalsContact O-N 3.08Å; G40-I42 PolarHBondContact O-N 2.72Å
41	R	96.6	Very high	97	Very high	206 Å²	206	88.9 Å²	88.9	78%	0.777	44%	0.442	S	S	*	.			trans	-76.6	115.4	-176	-170.9	179.1	-179.7	179.3	2.9	111	Q43 A304	R41-Q43 HydrophobicContact CG-CG 4.14Å; R41-Q43 VanDerWaalsContact CZ-NE2 3.31Å; R41-A304 CarbonylContact C-O 3.52Å; R41-A304 WeakPolarHBondContact CA-O 3.42Å
42	I	97.1	Very high	97	Very high	40 Å²	40	84.4 Å²	84.4	21%	0.205	43%	0.428	C	S	.	.			trans	-86.5	122.8	174.6	-57.6	-60.7	0	0	0	109.6	V39 G40 L44 L283 I295 A304	V39-I42 HydrophobicContact CG2-CG1 4.4Å; G40-I42 PolarHBondContact O-N 2.72Å; I42-L44 HydrophobicContact CG2-CD2 3.98Å; I42-L44 HydrophobicContact CG2-CG 3.99Å; I42-L283 HydrophobicContact CG1-CD2 4.43Å; I42-I295 HydrophobicContact CB-CD1 4.43Å; I42-I295 HydrophobicContact CG2-CD1 3.82Å; I42-A304 HydrophobicContact CG1-CB 3.96Å; I42-A304 PolarHBondContact N-O 3.15Å
43	Q	96.3	Very high	97.1	Very high	125 Å²	125	81.5 Å²	81.5	58%	0.584	40%	0.402	S	S	*	.			trans	-126.1	82.7	179.1	-65.4	-173.8	-11.9	0	0	110.3	R41	R41-Q43 HydrophobicContact CG-CG 4.14Å; R41-Q43 VanDerWaalsContact CZ-NE2 3.31Å
44	L	97.6	Very high	97.2	Very high	50 Å²	50	87.7 Å²	87.7	26%	0.262	43%	0.434	S	S	.	.			trans	-77	152.3	172.4	-50.6	-177.4	0	0	0	110.4	I42 I295 L307 V326 W338	I42-L44 HydrophobicContact CG2-CD2 3.98Å; I42-L44 HydrophobicContact CG2-CG 3.99Å; L44-I295 HydrophobicContact CD1-CD1 4.13Å; L44-I295 HydrophobicContact CG-CD1 4.35Å; L44-L307 HydrophobicContact CB-CD2 3.73Å; L44-L307 HydrophobicContact CD1-CD1 4.48Å; L44-L307 HydrophobicContact CD1-CD2 4.09Å; L44-L307 HydrophobicContact CG-CD2 4.14Å; L44-V326 HydrophobicContact CD1-CG2 4.35Å; L44-W338 HydrophobicContact CB-CB 4.12Å; L44-W338 HydrophobicContact CD1-CB 4.23Å
45	R	97.7	Very high	97.3	Very high	171 Å²	171	85.5 Å²	85.5	65%	0.645	42%	0.42	S	S	*	.			trans	-117.5	146	175.8	-63.2	-176.8	-179	-175	0.6	110.1	R47 W338 N339	R45-R47 PolarHBondContact O-N 3.16Å; R45-R47 VanDerWaalsContact O-N 3.15Å; R45-W338 WeakPolarHBondContact O-CA 3.11Å; R45-N339 PolarHBondContact N-O 3.07Å; R45-N339 PolarHBondContact O-N 3.04Å
46	T	98	Very high	97.4	Very high	47 Å²	47	81.6 Å²	81.6	29%	0.288	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	117.7	169.1	-51.7	0	0	0	0	109	R48 R336 I337 W338	T46-R48 VanDerWaalsContact CG2-O 3.3Å; T46-R48 WeakPolarHBondContact CG2-O 3.39Å; T46-R336 HydrophobicContact CG2-CB 4.05Å; T46-R336 HydrophobicContact CG2-CG 4.1Å; T46-I337 CarbonylContact C-O 3.55Å; T46-W338 WeakPolarHBondContact OG1-CH2 3.44Å; T46-W338 WeakPolarHBondContact OG1-CZ3 3.28Å
47	R	98	Very high	97.4	Very high	113 Å²	113	79 Å²	79	43%	0.426	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-30.5	175.8	-57.5	-49.7	174.3	156.3	3.8	113	R45 I337 N339	R45-R47 PolarHBondContact O-N 3.16Å; R45-R47 VanDerWaalsContact O-N 3.15Å; R47-I337 PolarHBondContact N-O 2.97Å; R47-N339 WeakPolarHBondContact CD-OD1 3.41Å; R47-N339 WeakPolarHBondContact CG-OD1 3.41Å; R47-N339 PolarHBondContact NE-O 2.88Å; R47-N339 PolarHBondContact NE-OD1 3.45Å; R47-N339 PolarHBondContact NH2-O 3.34Å
48	R	97.9	Very high	97.5	Very high	110 Å²	110	74 Å²	74	42%	0.415	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	147.7	178.6	-55.3	-68.3	-175.3	-88.1	-1.8	109.7	T46 Y84 T86 R336 I337	T46-R48 VanDerWaalsContact CG2-O 3.3Å; T46-R48 WeakPolarHBondContact CG2-O 3.39Å; R48-Y84 PolarHBondContact NE-O 2.94Å; R48-T86 HydrophobicContact CB-CG2 4.01Å; R48-T86 HydrophobicContact CG-CG2 4.15Å; R48-R336 WeakPolarHBondContact O-CA 3.47Å; R48-I337 HydrophobicContact CB-CB 4.07Å; R48-I337 HydrophobicContact CB-CD1 4.14Å; R48-I337 HydrophobicContact CB-CG1 4.33Å; R48-I337 HydrophobicContact CG-CD1 4.47Å; R48-I337 PolarHBondContact N-O 3.36Å; R48-I337 PolarHBondContact O-N 2.68Å
49	T	98.3	Very high	97.7	Very high	28 Å²	28	70.8 Å²	70.8	17%	0.172	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113.3	170	-53.8	0	0	0	0	107.4	R51 F334 L335 R336	T49-R51 HydrophobicContact CG2-CG 4.16Å; T49-F334 HydrophobicContact CG2-CB 4.32Å; T49-F334 HydrophobicContact CG2-CD1 4.11Å; T49-F334 HydrophobicContact CG2-CG 4.39Å; T49-L335 CarbonylContact C-O 3.59Å; T49-L335 WeakPolarHBondContact CA-O 3.09Å; T49-R336 HydrophobicContact CG2-CG 4.47Å
50	L	98.4	Very high	97.8	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119	179.2	-48.2	-177.9	0	0	0	108.3	L69 W81 T86 L335 I337	L50-L69 HydrophobicContact CD1-CD1 3.94Å; L50-L69 HydrophobicContact CD1-CD2 4.07Å; L50-L69 HydrophobicContact CD1-CG 4.42Å; L50-W81 HydrophobicContact CB-CD2 4.19Å; L50-W81 HydrophobicContact CB-CE3 3.92Å; L50-W81 HydrophobicContact CB-CH2 4.28Å; L50-W81 HydrophobicContact CB-CZ3 3.97Å; L50-W81 HydrophobicContact CD1-CB 4.04Å; L50-W81 HydrophobicContact CD1-CD2 4.03Å; L50-W81 HydrophobicContact CD1-CE3 4.39Å; L50-W81 HydrophobicContact CD1-CG 3.88Å; L50-T86 HydrophobicContact CD2-CG2 3.85Å; L50-L335 HydrophobicContact CB-CB 4.05Å; L50-L335 HydrophobicContact CB-CD1 4.32Å; L50-L335 HydrophobicContact CD1-CB 4.06Å; L50-L335 HydrophobicContact CG-CB 4.22Å; L50-L335 PolarHBondContact N-O 3.23Å; L50-L335 PolarHBondContact O-N 2.99Å; L50-I337 HydrophobicContact CD1-CD1 4.34Å; L50-I337 HydrophobicContact CD2-CD1 4.35Å
51	R	98.1	Very high	97.9	Very high	156 Å²	156	69.5 Å²	69.5	59%	0.589	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.7	-176.8	-58.8	-172.7	173.9	79	-0.7	110	T49 W81 K88 F334	T49-R51 HydrophobicContact CG2-CG 4.16Å; R51-W81 WeakPolarHBondContact O-CZ3 3.2Å; R51-K88 WeakPolarHBondContact O-CE 3.26Å; R51-K88 PolarHBondContact O-NZ 2.9Å; R51-F334 HydrophobicContact CB-CE1 4.44Å; R51-F334 HydrophobicContact CG-CD1 3.87Å; R51-F334 HydrophobicContact CG-CE1 3.79Å
52	G	96.9	Very high	98	Very high	26 Å²	26	60.5 Å²	60.5	27%	0.268	28%	0.28	S	S	.	.			trans	164.6	-19.7	174.7	0	0	0	0	0	116.6
53	H	98.3	Very high	98.1	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.056	27%	0.271	C	S	.	.			trans	-73.5	149.7	167.3	-75.3	-61.4	0	0	0	110.8	I57 S71 S73 D75 K77	H53-I57 HydrophobicContact CB-CD1 4.43Å; H53-I57 HydrophobicContact CB-CG1 4.17Å; H53-S71 PolarHBondContact CD2-OG 3.31Å; H53-S71 PolarHBondContact NE2-OG 3.3Å; H53-S73 WeakPolarHBondContact CE1-CB 3.39Å; H53-S73 VanDerWaalsContact CG-CB 3.5Å; H53-S73 WeakPolarHBondContact ND1-CB 3.28Å; H53-D75 VanDerWaalsContact CA-OD2 3.3Å; H53-D75 WeakPolarHBondContact CA-OD2 3.3Å; H53-D75 IonicContact CG-OD2 3.44Å; H53-D75 IonicContact ND1-OD1 2.71Å; H53-D75 PolarHBondContact ND1-OD1 2.82Å; H53-D75 IonicContact ND1-OD2 3.36Å; H53-D75 PolarHBondContact ND1-OD2 3.31Å; H53-K77 PolarHBondContact CE1-O 2.82Å
54	L	97.5	Very high	98.1	Very high	139 Å²	139	56.1 Å²	56.1	73%	0.728	26%	0.264	S	S	*	.	S	Bend	trans	-111.4	-1.7	-179.2	-58.4	178.6	0	0	0	112.7	D75	L54-D75 HydrophobicContact CB-CB 4.18Å; L54-D75 PolarHBondContact N-OD2 2.76Å
55	A	98.2	Very high	98.1	Very high	28 Å²	28	57.4 Å²	57.4	23%	0.231	27%	0.271	C	S	.	.	S	Bend	trans	-147	-179.7	178.5	0	0	0	0	0	110.6	I57 S73 Q74 D75 S333	A55-I57 PolarHBondContact O-N 3.29Å; A55-S73 VanDerWaalsContact C-OG 3.32Å; A55-S73 PolarHBondContact O-OG 3.33Å; A55-Q74 HydrophobicContact CB-CB 4.35Å; A55-D75 HydrophobicContact CB-CB 3.88Å; A55-S333 VanDerWaalsContact C-OG 3.24Å; A55-S333 WeakPolarHBondContact O-CB 3.4Å; A55-S333 PolarHBondContact O-OG 2.49Å; A55-S333 VanDerWaalsContact O-OG 3.1Å
56	K	98.5	Very high	98.1	Very high	76 Å²	76	49.7 Å²	49.7	33%	0.33	24%	0.243	S	C	.	.			trans	-50	128.5	-178.9	-59.6	179.4	177.9	-174.4	0	112	Y58 S73 Q74 W331	K56-Y58 HydrophobicContact CB-CD2 4.3Å; K56-Y58 HydrophobicContact CB-CE2 3.97Å; K56-Y58 HydrophobicContact CD-CE2 4.43Å; K56-S73 VanDerWaalsContact O-CA 3.28Å; K56-S73 WeakPolarHBondContact O-CA 3.49Å; K56-S73 WeakPolarHBondContact O-CB 3.09Å; K56-S73 PolarHBondContact O-OG 3.3Å; K56-Q74 PolarHBondContact O-N 3.08Å; K56-W331 HydrophobicContact CB-CB 4.23Å; K56-W331 HydrophobicContact CB-CG 3.97Å; K56-W331 HydrophobicContact CD-CB 4.27Å; K56-W331 HydrophobicContact CD-CD2 3.78Å; K56-W331 HydrophobicContact CD-CE3 4.14Å; K56-W331 HydrophobicContact CD-CG 3.86Å; K56-W331 HydrophobicContact CG-CB 3.9Å; K56-W331 HydrophobicContact CG-CD2 4.34Å; K56-W331 HydrophobicContact CG-CG 3.88Å
57	I	98.8	Very high	98.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.1	170.8	-64.7	158.8	0	0	0	107.8	H53 A55 S315 S330 S333 F334 L335	H53-I57 HydrophobicContact CB-CD1 4.43Å; H53-I57 HydrophobicContact CB-CG1 4.17Å; A55-I57 PolarHBondContact O-N 3.29Å; I57-S315 VanDerWaalsContact O-CB 3.28Å; I57-S315 WeakPolarHBondContact O-CB 3.42Å; I57-S315 PolarHBondContact O-OG 2.97Å; I57-S330 WeakPolarHBondContact CB-O 3.38Å; I57-S330 PolarHBondContact N-O 3.38Å; I57-S333 VanDerWaalsContact CD1-C 3.42Å; I57-F334 WeakPolarHBondContact CD1-O 3.44Å; I57-L335 HydrophobicContact CD1-CD1 3.49Å; I57-L335 VanDerWaalsContact CD1-CD1 3.49Å; I57-L335 HydrophobicContact CD1-CG 3.86Å
58	Y	98.6	Very high	98.1	Very high	61 Å²	61	48.6 Å²	48.6	24%	0.239	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-39.8	179.9	-94.2	-108.3	0	0	0	112.5	K56 A72 Q74 M100 W331	K56-Y58 HydrophobicContact CB-CD2 4.3Å; K56-Y58 HydrophobicContact CB-CE2 3.97Å; K56-Y58 HydrophobicContact CD-CE2 4.43Å; Y58-A72 PolarHBondContact N-O 2.83Å; Y58-Q74 HydrophobicContact CD2-CG 3.77Å; Y58-Q74 HydrophobicContact CE2-CG 3.65Å; Y58-Q74 PolarHBondContact OH-NE2 3.06Å; Y58-M100 HydrophobicContact CD1-CG 4.49Å; Y58-W331 AromaticContact CE2-NE1 3.76Å
59	A	98.7	Very high	98.1	Very high	12 Å²	12	43.4 Å²	43.4	10%	0.099	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.6	-177.4	0	0	0	0	0	111.5	S71 A72 C102 C316	A59-S71 WeakPolarHBondContact O-CA 3.47Å; A59-A72 PolarHBondContact O-N 3.16Å; A59-C102 VanDerWaalsContact C-SG 3.59Å; A59-C316 VanDerWaalsContact C-SG 3.6Å
60	M	98.7	Very high	98.1	Very high	10 Å²	10	42 Å²	42	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.5	167.2	72.2	79.5	52.6	0	0	109.2	W62 L69 V70 C316 C327 L335	M60-W62 HydrophobicContact CE-CD2 4.44Å; M60-W62 HydrophobicContact CE-CG 4.33Å; M60-L69 HydrophobicContact CE-CB 4.07Å; M60-L69 HydrophobicContact CE-CD1 3.78Å; M60-L69 HydrophobicContact CE-CG 4.35Å; M60-V70 CarbonylContact C-O 3.53Å; M60-V70 WeakPolarHBondContact CA-O 3.46Å; M60-C316 HydrophobicContact CG-CB 4.19Å; M60-C316 VanDerWaalsContact CG-SG 3.55Å; M60-C327 HydrophobicContact CE-CB 3.43Å; M60-C327 VanDerWaalsContact CE-CB 3.43Å; M60-C327 HydrophobicContact SD-CB 4.17Å; M60-L335 HydrophobicContact CB-CD2 3.82Å; M60-L335 HydrophobicContact CG-CD2 4.28Å
61	H	98.8	Very high	98.1	Very high	50 Å²	50	42 Å²	42	23%	0.231	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	128.7	176.3	-168.1	-112.1	0	0	0	110	L69 V70 Y104	H61-L69 CarbonylContact O-C 3.59Å; H61-L69 VanDerWaalsContact O-CA 3.32Å; H61-L69 WeakPolarHBondContact O-CA 3.06Å; H61-V70 HydrophobicContact CB-CG1 3.99Å; H61-V70 PolarHBondContact N-O 3.21Å; H61-V70 PolarHBondContact O-N 3.36Å; H61-Y104 WeakPolarHBondContact ND1-CB 3.22Å; H61-Y104 PolarHBondContact ND1-N 3.03Å
62	W	98.6	Very high	98.2	Very high	17 Å²	17	34.6 Å²	34.6	6%	0.064	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	147.9	172.5	-74.8	105.9	0	0	0	110.9	M60 L69 G318 A325 C327 I337	M60-W62 HydrophobicContact CE-CD2 4.44Å; M60-W62 HydrophobicContact CE-CG 4.33Å; W62-L69 HydrophobicContact CD2-CB 4.13Å; W62-L69 HydrophobicContact CD2-CD2 4.32Å; W62-L69 HydrophobicContact CE3-CB 3.82Å; W62-L69 HydrophobicContact CE3-CD2 3.81Å; W62-L69 HydrophobicContact CE3-CG 4.47Å; W62-L69 HydrophobicContact CH2-CD2 3.59Å; W62-L69 HydrophobicContact CZ2-CD2 4.13Å; W62-L69 HydrophobicContact CZ3-CB 4.29Å; W62-L69 HydrophobicContact CZ3-CD2 3.41Å; W62-L69 VanDerWaalsContact CZ3-CD2 3.41Å; W62-L69 HydrophobicContact CZ3-CG 4.47Å; W62-G318 PolarHBondContact NE1-O 2.74Å; W62-A325 HydrophobicContact CZ2-CB 4.39Å; W62-C327 HydrophobicContact CZ2-CB 3.55Å; W62-I337 HydrophobicContact CH2-CD1 4.05Å; W62-I337 HydrophobicContact CH2-CG1 4.44Å
63	S	98.1	Very high	98.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	17%	0.168	C	C	.	.			trans	-77.7	155.6	162.2	178.2	0	0	0	0	109.5	D65 S66 N68	S63-D65 WeakPolarHBondContact CB-OD1 3.11Å; S63-D65 PolarHBondContact O-N 2.81Å; S63-D65 VanDerWaalsContact O-N 3.15Å; S63-D65 VanDerWaalsContact OG-CG 3.3Å; S63-D65 PolarHBondContact OG-OD1 2.84Å; S63-D65 PolarHBondContact OG-OD2 3.01Å; S63-S66 PolarHBondContact O-N 3.39Å; S63-S66 VanDerWaalsContact O-N 3.08Å; S63-N68 WeakPolarHBondContact CB-O 3.47Å; S63-N68 PolarHBondContact N-O 2.95Å
64	T	97.3	Very high	98.2	Very high	71 Å²	71	34.7 Å²	34.7	44%	0.436	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.6	176.5	50.4	0	0	0	0	113.2	S66 P106	T64-S66 PolarHBondContact O-N 2.96Å; T64-P106 HydrophobicContact CG2-CB 4.12Å; T64-P106 PolarHBondContact OG1-O 2.97Å
65	D	97.2	Very high	98.2	Very high	76 Å²	76	29.8 Å²	29.8	41%	0.406	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-3	174.4	66.6	23.5	0	0	0	114.5	S63 R67 N68	S63-D65 WeakPolarHBondContact CB-OD1 3.11Å; S63-D65 PolarHBondContact O-N 2.81Å; S63-D65 VanDerWaalsContact O-N 3.15Å; S63-D65 VanDerWaalsContact OG-CG 3.3Å; S63-D65 PolarHBondContact OG-OD1 2.84Å; S63-D65 PolarHBondContact OG-OD2 3.01Å; D65-R67 PolarHBondContact O-N 2.91Å; D65-R67 WeakPolarHBondContact OD1-CA 3.15Å; D65-R67 PolarHBondContact OD1-N 3.24Å; D65-N68 PolarHBondContact OD1-N 3.16Å; D65-N68 PolarHBondContact OD2-ND2 2.88Å
66	S	97.2	Very high	98.1	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.07	14%	0.142	C	C	.	.	S	Bend	trans	57.5	16.3	-178.5	-59.3	0	0	0	0	115.1	S63 T64 E321 D322	S63-S66 PolarHBondContact O-N 3.39Å; S63-S66 VanDerWaalsContact O-N 3.08Å; T64-S66 PolarHBondContact O-N 2.96Å; S66-E321 WeakPolarHBondContact OG-CB 3.35Å; S66-E321 PolarHBondContact OG-N 2.8Å; S66-D322 VanDerWaalsContact CB-CG 3.43Å; S66-D322 WeakPolarHBondContact CB-OD2 3.49Å; S66-D322 PolarHBondContact OG-N 2.89Å
67	R	97.4	Very high	98.1	Very high	105 Å²	105	28.8 Å²	28.8	40%	0.396	14%	0.141	S	C	.	.	S	Bend	trans	-123.8	-52.7	-177.8	175.8	179.5	177	-177.3	-3	111.2	D65 D82 G83 Y84	D65-R67 PolarHBondContact O-N 2.91Å; D65-R67 WeakPolarHBondContact OD1-CA 3.15Å; D65-R67 PolarHBondContact OD1-N 3.24Å; R67-D82 WeakPolarHBondContact CG-OD1 3.33Å; R67-D82 IonicContact CZ-OD1 2.99Å; R67-D82 IonicContact CZ-OD2 3.72Å; R67-D82 VanDerWaalsContact NE-CG 3.32Å; R67-D82 IonicContact NE-OD1 3.85Å; R67-D82 PolarHBondContact NE-OD1 3.4Å; R67-D82 IonicContact NE-OD2 2.86Å; R67-D82 PolarHBondContact NE-OD2 3.04Å; R67-D82 IonicContact NH2-OD1 3.04Å; R67-D82 IonicContact NH2-OD2 3.7Å; R67-D82 PolarHBondContact NH2-OD2 2.88Å; R67-G83 WeakPolarHBondContact O-CA 3.38Å; R67-G83 PolarHBondContact O-N 3.23Å; R67-Y84 HydrophobicContact CB-CE1 4.49Å; R67-Y84 HydrophobicContact CG-CD1 4.25Å; R67-Y84 HydrophobicContact CG-CD2 4.17Å; R67-Y84 HydrophobicContact CG-CE2 4.43Å; R67-Y84 HydrophobicContact CG-CG 4.08Å
68	N	98	Very high	98.1	Very high	32 Å²	32	28.8 Å²	28.8	17%	0.171	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	148.7	179.8	-65.5	-51.2	0	0	0	110	S63 D65 W81 Y104	S63-N68 WeakPolarHBondContact CB-O 3.47Å; S63-N68 PolarHBondContact N-O 2.95Å; D65-N68 PolarHBondContact OD1-N 3.16Å; D65-N68 PolarHBondContact OD2-ND2 2.88Å; N68-W81 VanDerWaalsContact CA-O 3.22Å; N68-W81 WeakPolarHBondContact CA-O 3.47Å; N68-W81 PolarHBondContact OD1-O 3.25Å; N68-Y104 HydrophobicContact CB-CE2 4.14Å
69	L	98.6	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.1	172.2	63.3	109.9	0	0	0	109.9	L50 M60 H61 W62 V80 W81 L335 I337	L50-L69 HydrophobicContact CD1-CD1 3.94Å; L50-L69 HydrophobicContact CD1-CD2 4.07Å; L50-L69 HydrophobicContact CD1-CG 4.42Å; M60-L69 HydrophobicContact CE-CB 4.07Å; M60-L69 HydrophobicContact CE-CD1 3.78Å; M60-L69 HydrophobicContact CE-CG 4.35Å; H61-L69 CarbonylContact O-C 3.59Å; H61-L69 VanDerWaalsContact O-CA 3.32Å; H61-L69 WeakPolarHBondContact O-CA 3.06Å; W62-L69 HydrophobicContact CD2-CB 4.13Å; W62-L69 HydrophobicContact CD2-CD2 4.32Å; W62-L69 HydrophobicContact CE3-CB 3.82Å; W62-L69 HydrophobicContact CE3-CD2 3.81Å; W62-L69 HydrophobicContact CE3-CG 4.47Å; W62-L69 HydrophobicContact CH2-CD2 3.59Å; W62-L69 HydrophobicContact CZ2-CD2 4.13Å; W62-L69 HydrophobicContact CZ3-CB 4.29Å; W62-L69 HydrophobicContact CZ3-CD2 3.41Å; W62-L69 VanDerWaalsContact CZ3-CD2 3.41Å; W62-L69 HydrophobicContact CZ3-CG 4.47Å; L69-V80 CarbonylContact O-C 3.6Å; L69-V80 WeakPolarHBondContact O-CA 3.39Å; L69-W81 HydrophobicContact CD1-CB 4.45Å; L69-W81 HydrophobicContact CD1-CG 4.3Å; L69-W81 HydrophobicContact CG-CB 4.2Å; L69-W81 PolarHBondContact N-O 3.11Å; L69-W81 VanDerWaalsContact N-O 3.08Å; L69-W81 PolarHBondContact O-N 3.37Å; L69-L335 HydrophobicContact CD1-CD2 3.9Å; L69-I337 HydrophobicContact CD2-CD1 4.28Å
70	V	98.7	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.1	173.7	64.3	0	0	0	0	109.5	M60 H61 L78 I79 V80 C102 Y104 V111	M60-V70 CarbonylContact C-O 3.53Å; M60-V70 WeakPolarHBondContact CA-O 3.46Å; H61-V70 HydrophobicContact CB-CG1 3.99Å; H61-V70 PolarHBondContact N-O 3.21Å; H61-V70 PolarHBondContact O-N 3.36Å; V70-L78 HydrophobicContact CG2-CD1 3.46Å; V70-L78 VanDerWaalsContact CG2-CD1 3.46Å; V70-L78 HydrophobicContact CG2-CD2 4.2Å; V70-L78 HydrophobicContact CG2-CG 3.59Å; V70-I79 CarbonylContact C-O 3.55Å; V70-I79 WeakPolarHBondContact CA-O 3.43Å; V70-V80 HydrophobicContact CB-CG2 4.42Å; V70-V80 HydrophobicContact CG2-CG2 4.19Å; V70-C102 HydrophobicContact CG1-CB 4.27Å; V70-C102 HydrophobicContact CG2-CB 4.49Å; V70-Y104 HydrophobicContact CB-CD2 4.09Å; V70-Y104 HydrophobicContact CG1-CD2 4.08Å; V70-V111 HydrophobicContact CB-CG1 4.16Å; V70-V111 HydrophobicContact CG1-CG1 4.37Å; V70-V111 HydrophobicContact CG2-CB 4.4Å; V70-V111 HydrophobicContact CG2-CG1 4.16Å
71	S	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.8	171.4	65.7	0	0	0	0	112	H53 A59 L78 I79 W81	H53-S71 PolarHBondContact CD2-OG 3.31Å; H53-S71 PolarHBondContact NE2-OG 3.3Å; A59-S71 WeakPolarHBondContact O-CA 3.47Å; S71-L78 WeakPolarHBondContact O-CA 3.43Å; S71-I79 PolarHBondContact N-O 2.75Å; S71-I79 PolarHBondContact O-N 2.84Å; S71-W81 PolarHBondContact OG-NE1 2.79Å
72	A	98.7	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.6	-179	0	0	0	0	0	111.1	Y58 A59 L78 V99 C102	Y58-A72 PolarHBondContact N-O 2.83Å; A59-A72 PolarHBondContact O-N 3.16Å; A72-L78 HydrophobicContact CB-CD1 3.78Å; A72-V99 HydrophobicContact CB-CB 4.36Å; A72-V99 HydrophobicContact CB-CG1 3.72Å; A72-V99 HydrophobicContact CB-CG2 3.68Å; A72-C102 HydrophobicContact CB-CB 3.9Å
73	S	98.6	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.9	-176.6	172.8	0	0	0	0	112.2	H53 A55 K56 D75 G76 K77 V99	H53-S73 WeakPolarHBondContact CE1-CB 3.39Å; H53-S73 VanDerWaalsContact CG-CB 3.5Å; H53-S73 WeakPolarHBondContact ND1-CB 3.28Å; A55-S73 VanDerWaalsContact C-OG 3.32Å; A55-S73 PolarHBondContact O-OG 3.33Å; K56-S73 VanDerWaalsContact O-CA 3.28Å; K56-S73 WeakPolarHBondContact O-CA 3.49Å; K56-S73 WeakPolarHBondContact O-CB 3.09Å; K56-S73 PolarHBondContact O-OG 3.3Å; S73-D75 VanDerWaalsContact CB-OD1 3.28Å; S73-D75 WeakPolarHBondContact CB-OD1 2.8Å; S73-D75 PolarHBondContact O-N 3Å; S73-D75 VanDerWaalsContact O-N 3.09Å; S73-D75 PolarHBondContact OG-N 3.25Å; S73-D75 PolarHBondContact OG-OD1 2.94Å; S73-G76 PolarHBondContact O-N 3.14Å; S73-G76 VanDerWaalsContact O-N 3.13Å; S73-K77 PolarHBondContact N-O 2.75Å; S73-V99 WeakPolarHBondContact O-CG1 3.47Å
74	Q	97.5	Very high	97.7	Very high	39 Å²	39	28.6 Å²	28.6	18%	0.182	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	0.6	175.9	-73.4	-174	-19.2	0	0	114.8	A55 K56 Y58 G76 S97 W98	A55-Q74 HydrophobicContact CB-CB 4.35Å; K56-Q74 PolarHBondContact O-N 3.08Å; Y58-Q74 HydrophobicContact CD2-CG 3.77Å; Y58-Q74 HydrophobicContact CE2-CG 3.65Å; Y58-Q74 PolarHBondContact OH-NE2 3.06Å; Q74-G76 PolarHBondContact O-N 2.75Å; Q74-S97 VanDerWaalsContact CA-O 3.24Å; Q74-S97 WeakPolarHBondContact CA-O 3.2Å; Q74-W98 HydrophobicContact CG-CE3 4.47Å
75	D	97	Very high	97.7	Very high	37 Å²	37	28 Å²	28	20%	0.198	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	3.8	166.9	67.7	2.7	0	0	0	112.8	H53 L54 A55 S73 K77	H53-D75 VanDerWaalsContact CA-OD2 3.3Å; H53-D75 WeakPolarHBondContact CA-OD2 3.3Å; H53-D75 IonicContact CG-OD2 3.44Å; H53-D75 IonicContact ND1-OD1 2.71Å; H53-D75 PolarHBondContact ND1-OD1 2.82Å; H53-D75 IonicContact ND1-OD2 3.36Å; H53-D75 PolarHBondContact ND1-OD2 3.31Å; L54-D75 HydrophobicContact CB-CB 4.18Å; L54-D75 PolarHBondContact N-OD2 2.76Å; A55-D75 HydrophobicContact CB-CB 3.88Å; S73-D75 VanDerWaalsContact CB-OD1 3.28Å; S73-D75 WeakPolarHBondContact CB-OD1 2.8Å; S73-D75 PolarHBondContact O-N 3Å; S73-D75 VanDerWaalsContact O-N 3.09Å; S73-D75 PolarHBondContact OG-N 3.25Å; S73-D75 PolarHBondContact OG-OD1 2.94Å; D75-K77 VanDerWaalsContact OD1-CB 3.24Å; D75-K77 WeakPolarHBondContact OD1-CB 3.45Å; D75-K77 PolarHBondContact OD1-N 3.38Å
76	G	97	Very high	97.7	Very high	9 Å²	9	27 Å²	27	9%	0.093	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	27.9	-178.4	0	0	0	0	0	113	S73 Q74 L94	S73-G76 PolarHBondContact O-N 3.14Å; S73-G76 VanDerWaalsContact O-N 3.13Å; Q74-G76 PolarHBondContact O-N 2.75Å; G76-L94 WeakPolarHBondContact O-CB 3.16Å; G76-L94 PolarHBondContact O-N 3.35Å
77	K	97.9	Very high	97.8	Very high	73 Å²	73	31.4 Å²	31.4	32%	0.317	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.3	176.6	-59.4	179	-176.8	166.9	0	112.2	H53 S73 D75 I79 I92	H53-K77 PolarHBondContact CE1-O 2.82Å; S73-K77 PolarHBondContact N-O 2.75Å; D75-K77 VanDerWaalsContact OD1-CB 3.24Å; D75-K77 WeakPolarHBondContact OD1-CB 3.45Å; D75-K77 PolarHBondContact OD1-N 3.38Å; K77-I79 HydrophobicContact CB-CG1 4.18Å; K77-I92 WeakPolarHBondContact CA-O 3.41Å
78	L	98.1	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.2	163.8	-171.4	72.4	0	0	0	107.8	V70 S71 A72 I92 L94 C102 V111 C113 Y123	V70-L78 HydrophobicContact CG2-CD1 3.46Å; V70-L78 VanDerWaalsContact CG2-CD1 3.46Å; V70-L78 HydrophobicContact CG2-CD2 4.2Å; V70-L78 HydrophobicContact CG2-CG 3.59Å; S71-L78 WeakPolarHBondContact O-CA 3.43Å; A72-L78 HydrophobicContact CB-CD1 3.78Å; L78-I92 HydrophobicContact CB-CB 4.22Å; L78-I92 HydrophobicContact CD2-CD1 4.2Å; L78-I92 PolarHBondContact N-O 3.2Å; L78-I92 PolarHBondContact O-N 3.03Å; L78-L94 HydrophobicContact CB-CD1 4.31Å; L78-L94 HydrophobicContact CB-CD2 3.88Å; L78-L94 HydrophobicContact CB-CG 4.25Å; L78-C102 HydrophobicContact CD1-CB 3.57Å; L78-V111 HydrophobicContact CD2-CB 4.26Å; L78-V111 HydrophobicContact CD2-CG2 3.68Å; L78-C113 HydrophobicContact CD1-CB 4.13Å; L78-C113 HydrophobicContact CD2-CB 4.14Å; L78-Y123 HydrophobicContact CD2-CD2 4.19Å; L78-Y123 HydrophobicContact CD2-CE2 4.37Å
79	I	98.3	Very high	97.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.4	-176.4	-56.7	178.4	0	0	0	109.2	V70 S71 K77 W81 K88 H90 A91	V70-I79 CarbonylContact C-O 3.55Å; V70-I79 WeakPolarHBondContact CA-O 3.43Å; S71-I79 PolarHBondContact N-O 2.75Å; S71-I79 PolarHBondContact O-N 2.84Å; K77-I79 HydrophobicContact CB-CG1 4.18Å; I79-W81 HydrophobicContact CB-CD2 4.47Å; I79-W81 HydrophobicContact CB-CZ2 3.74Å; I79-W81 HydrophobicContact CD1-CH2 4.03Å; I79-W81 HydrophobicContact CD1-CZ2 3.67Å; I79-W81 HydrophobicContact CG1-CZ2 4.29Å; I79-W81 HydrophobicContact CG2-CD2 3.62Å; I79-W81 HydrophobicContact CG2-CE3 4.13Å; I79-W81 HydrophobicContact CG2-CG 4.12Å; I79-W81 HydrophobicContact CG2-CH2 4.02Å; I79-W81 HydrophobicContact CG2-CZ2 3.48Å; I79-W81 VanDerWaalsContact CG2-CZ2 3.48Å; I79-W81 HydrophobicContact CG2-CZ3 4.32Å; I79-W81 VanDerWaalsContact O-CD1 3.31Å; I79-W81 PolarHBondContact O-NE1 2.98Å; I79-K88 HydrophobicContact CG2-CB 4.15Å; I79-K88 HydrophobicContact CG2-CD 4.16Å; I79-K88 HydrophobicContact CG2-CG 3.87Å; I79-H90 WeakPolarHBondContact CA-O 3.45Å; I79-H90 WeakPolarHBondContact CG2-O 3.42Å; I79-A91 HydrophobicContact CG1-CB 4.42Å
80	V	98.1	Very high	97.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.1	168.9	-177.6	0	0	0	0	108	L69 V70 K88 V89 H90 Y104 V111 L125	L69-V80 CarbonylContact O-C 3.6Å; L69-V80 WeakPolarHBondContact O-CA 3.39Å; V70-V80 HydrophobicContact CB-CG2 4.42Å; V70-V80 HydrophobicContact CG2-CG2 4.19Å; V80-K88 CarbonylContact O-C 3.51Å; V80-V89 HydrophobicContact CB-CB 4.46Å; V80-V89 HydrophobicContact CG1-CB 4.2Å; V80-V89 PolarHBondContact O-N 3.43Å; V80-H90 HydrophobicContact CB-CB 4.1Å; V80-H90 HydrophobicContact CG2-CB 4.23Å; V80-H90 PolarHBondContact N-O 3.16Å; V80-H90 PolarHBondContact O-N 3.08Å; V80-Y104 HydrophobicContact CG1-CE2 3.97Å; V80-V111 HydrophobicContact CG2-CG1 4.26Å; V80-L125 HydrophobicContact CG2-CD1 4.29Å; V80-L125 HydrophobicContact CG2-CD2 4.12Å
81	W	98.6	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	148.8	-175.3	-47.1	82.1	0	0	0	110.9	L50 R51 N68 L69 S71 I79 N87 K88 L335	L50-W81 HydrophobicContact CB-CD2 4.19Å; L50-W81 HydrophobicContact CB-CE3 3.92Å; L50-W81 HydrophobicContact CB-CH2 4.28Å; L50-W81 HydrophobicContact CB-CZ3 3.97Å; L50-W81 HydrophobicContact CD1-CB 4.04Å; L50-W81 HydrophobicContact CD1-CD2 4.03Å; L50-W81 HydrophobicContact CD1-CE3 4.39Å; L50-W81 HydrophobicContact CD1-CG 3.88Å; R51-W81 WeakPolarHBondContact O-CZ3 3.2Å; N68-W81 VanDerWaalsContact CA-O 3.22Å; N68-W81 WeakPolarHBondContact CA-O 3.47Å; N68-W81 PolarHBondContact OD1-O 3.25Å; L69-W81 HydrophobicContact CD1-CB 4.45Å; L69-W81 HydrophobicContact CD1-CG 4.3Å; L69-W81 HydrophobicContact CG-CB 4.2Å; L69-W81 PolarHBondContact N-O 3.11Å; L69-W81 VanDerWaalsContact N-O 3.08Å; L69-W81 PolarHBondContact O-N 3.37Å; S71-W81 PolarHBondContact OG-NE1 2.79Å; I79-W81 HydrophobicContact CB-CD2 4.47Å; I79-W81 HydrophobicContact CB-CZ2 3.74Å; I79-W81 HydrophobicContact CD1-CH2 4.03Å; I79-W81 HydrophobicContact CD1-CZ2 3.67Å; I79-W81 HydrophobicContact CG1-CZ2 4.29Å; I79-W81 HydrophobicContact CG2-CD2 3.62Å; I79-W81 HydrophobicContact CG2-CE3 4.13Å; I79-W81 HydrophobicContact CG2-CG 4.12Å; I79-W81 HydrophobicContact CG2-CH2 4.02Å; I79-W81 HydrophobicContact CG2-CZ2 3.48Å; I79-W81 VanDerWaalsContact CG2-CZ2 3.48Å; I79-W81 HydrophobicContact CG2-CZ3 4.32Å; I79-W81 VanDerWaalsContact O-CD1 3.31Å; I79-W81 PolarHBondContact O-NE1 2.98Å; W81-N87 WeakPolarHBondContact CA-O 3.11Å; W81-K88 HydrophobicContact CE3-CG 3.74Å; W81-K88 HydrophobicContact CH2-CD 4.41Å; W81-K88 HydrophobicContact CH2-CG 4.23Å; W81-K88 HydrophobicContact CZ3-CD 4.15Å; W81-K88 HydrophobicContact CZ3-CG 3.57Å; W81-L335 HydrophobicContact CZ2-CD1 4.18Å
82	D	97.8	Very high	97.3	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	106.8	158	175	-2	0	0	0	108.4	R67 Y84 T85 T86 N87 V89	R67-D82 WeakPolarHBondContact CG-OD1 3.33Å; R67-D82 IonicContact CZ-OD1 2.99Å; R67-D82 IonicContact CZ-OD2 3.72Å; R67-D82 VanDerWaalsContact NE-CG 3.32Å; R67-D82 IonicContact NE-OD1 3.85Å; R67-D82 PolarHBondContact NE-OD1 3.4Å; R67-D82 IonicContact NE-OD2 2.86Å; R67-D82 PolarHBondContact NE-OD2 3.04Å; R67-D82 IonicContact NH2-OD1 3.04Å; R67-D82 IonicContact NH2-OD2 3.7Å; R67-D82 PolarHBondContact NH2-OD2 2.88Å; D82-Y84 PolarHBondContact O-N 3Å; D82-Y84 PolarHBondContact OD1-N 3.28Å; D82-T85 WeakPolarHBondContact CB-OG1 3.36Å; D82-T85 PolarHBondContact O-N 3.43Å; D82-T85 VanDerWaalsContact OD2-CG2 3.27Å; D82-T85 WeakPolarHBondContact OD2-CG2 3.35Å; D82-T85 PolarHBondContact OD2-OG1 3.06Å; D82-T86 WeakPolarHBondContact O-CA 3.48Å; D82-T86 PolarHBondContact O-N 3.42Å; D82-N87 PolarHBondContact N-O 2.94Å; D82-V89 HydrophobicContact CB-CG2 4.08Å
83	G	96.4	Very high	97.1	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.031	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.4	-176.5	0	0	0	0	0	114.1	R67 I337	R67-G83 WeakPolarHBondContact O-CA 3.38Å; R67-G83 PolarHBondContact O-N 3.23Å; G83-I337 WeakPolarHBondContact O-CD1 3.05Å
84	Y	95.3	Very high	97	Very high	132 Å²	132	44.8 Å²	44.8	52%	0.518	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-46.1	-179.7	-71.9	4.3	0	0	0	111.8	R48 R67 D82	R48-Y84 PolarHBondContact NE-O 2.94Å; R67-Y84 HydrophobicContact CB-CE1 4.49Å; R67-Y84 HydrophobicContact CG-CD1 4.25Å; R67-Y84 HydrophobicContact CG-CD2 4.17Å; R67-Y84 HydrophobicContact CG-CE2 4.43Å; R67-Y84 HydrophobicContact CG-CG 4.08Å; D82-Y84 PolarHBondContact O-N 3Å; D82-Y84 PolarHBondContact OD1-N 3.28Å
85	T	97.3	Very high	96.7	Very high	59 Å²	59	52.1 Å²	52.1	36%	0.362	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.3	-173.8	65.3	0	0	0	0	113.4	D82 N87	D82-T85 WeakPolarHBondContact CB-OG1 3.36Å; D82-T85 PolarHBondContact O-N 3.43Å; D82-T85 VanDerWaalsContact OD2-CG2 3.27Å; D82-T85 WeakPolarHBondContact OD2-CG2 3.35Å; D82-T85 PolarHBondContact OD2-OG1 3.06Å; T85-N87 PolarHBondContact O-N 3.38Å; T85-N87 WeakPolarHBondContact OG1-CB 3.21Å; T85-N87 PolarHBondContact OG1-N 2.91Å; T85-N87 PolarHBondContact OG1-ND2 3.37Å
86	T	97.5	Very high	96.5	Very high	54 Å²	54	51.6 Å²	51.6	33%	0.331	27%	0.269	S	S	.	.			trans	65.6	8.4	-172.4	73.8	0	0	0	0	114.9	R48 L50 D82	R48-T86 HydrophobicContact CB-CG2 4.01Å; R48-T86 HydrophobicContact CG-CG2 4.15Å; L50-T86 HydrophobicContact CD2-CG2 3.85Å; D82-T86 WeakPolarHBondContact O-CA 3.48Å; D82-T86 PolarHBondContact O-N 3.42Å
87	N	97.8	Very high	96.4	Very high	102 Å²	102	53.6 Å²	53.6	55%	0.545	28%	0.281	S	S	.	.			trans	-72.6	145.6	178.2	-69.9	-27.6	0	0	0	111	W81 D82 T85	W81-N87 WeakPolarHBondContact CA-O 3.11Å; D82-N87 PolarHBondContact N-O 2.94Å; T85-N87 PolarHBondContact O-N 3.38Å; T85-N87 WeakPolarHBondContact OG1-CB 3.21Å; T85-N87 PolarHBondContact OG1-N 2.91Å; T85-N87 PolarHBondContact OG1-ND2 3.37Å
88	K	97.1	Very high	96.3	Very high	100 Å²	100	56.4 Å²	56.4	44%	0.435	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	112.8	169.6	-58.9	176.8	-175.4	69	0	107.4	R51 I79 V80 W81	R51-K88 WeakPolarHBondContact O-CE 3.26Å; R51-K88 PolarHBondContact O-NZ 2.9Å; I79-K88 HydrophobicContact CG2-CB 4.15Å; I79-K88 HydrophobicContact CG2-CD 4.16Å; I79-K88 HydrophobicContact CG2-CG 3.87Å; V80-K88 CarbonylContact O-C 3.51Å; W81-K88 HydrophobicContact CE3-CG 3.74Å; W81-K88 HydrophobicContact CH2-CD 4.41Å; W81-K88 HydrophobicContact CH2-CG 4.23Å; W81-K88 HydrophobicContact CZ3-CD 4.15Å; W81-K88 HydrophobicContact CZ3-CG 3.57Å
89	V	95.5	Very high	96.2	Very high	72 Å²	72	56.6 Å²	56.6	44%	0.436	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-44.5	175.2	-173.7	0	0	0	0	109.4	V80 D82	V80-V89 HydrophobicContact CB-CB 4.46Å; V80-V89 HydrophobicContact CG1-CB 4.2Å; V80-V89 PolarHBondContact O-N 3.43Å; D82-V89 HydrophobicContact CB-CG2 4.08Å
90	H	95.4	Very high	96.2	Very high	48 Å²	48	58.5 Å²	58.5	22%	0.222	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.9	174.7	-58.8	-71.2	0	0	0	110.9	I79 V80 I92 V132	I79-H90 WeakPolarHBondContact CA-O 3.45Å; I79-H90 WeakPolarHBondContact CG2-O 3.42Å; V80-H90 HydrophobicContact CB-CB 4.1Å; V80-H90 HydrophobicContact CG2-CB 4.23Å; V80-H90 PolarHBondContact N-O 3.16Å; V80-H90 PolarHBondContact O-N 3.08Å; H90-I92 HydrophobicContact CB-CG1 4.36Å; H90-V132 HydrophobicContact CB-CG2 4.42Å; H90-V132 WeakPolarHBondContact ND1-CG2 3.49Å
91	A	96	Very high	96.2	Very high	62 Å²	62	58.7 Å²	58.7	51%	0.512	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	100.1	168.4	0	0	0	0	0	108.1	I79	I79-A91 HydrophobicContact CG1-CB 4.42Å
92	I	96.6	Very high	96.2	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.6	-171.9	-56.7	162.7	0	0	0	108.1	K77 L78 H90 V111 Y123 L125 V132	K77-I92 WeakPolarHBondContact CA-O 3.41Å; L78-I92 HydrophobicContact CB-CB 4.22Å; L78-I92 HydrophobicContact CD2-CD1 4.2Å; L78-I92 PolarHBondContact N-O 3.2Å; L78-I92 PolarHBondContact O-N 3.03Å; H90-I92 HydrophobicContact CB-CG1 4.36Å; I92-V111 HydrophobicContact CD1-CG2 3.89Å; I92-Y123 HydrophobicContact CD1-CD1 4.49Å; I92-Y123 HydrophobicContact CD1-CG 4.32Å; I92-Y123 HydrophobicContact CG2-CD1 3.54Å; I92-Y123 HydrophobicContact CG2-CE1 3.4Å; I92-Y123 HydrophobicContact CG2-CG 4.26Å; I92-L125 HydrophobicContact CD1-CD2 4.12Å; I92-V132 HydrophobicContact CD1-CB 4.45Å; I92-V132 HydrophobicContact CD1-CG1 3.64Å; I92-V132 HydrophobicContact CG1-CB 4.14Å; I92-V132 HydrophobicContact CG1-CG1 3.79Å
93	P	96.2	Very high	96.3	Very high	107 Å²	107	58.2 Å²	58.2	70%	0.695	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.9	171.8	30.1	-32.5	0	0	0	110.1
94	L	95.9	Very high	96.4	Very high	25 Å²	25	58.9 Å²	58.9	13%	0.131	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-92.6	149.5	178.2	-57.8	-178.6	0	0	0	110.4	G76 L78 S96 V99 C113 Y123	G76-L94 WeakPolarHBondContact O-CB 3.16Å; G76-L94 PolarHBondContact O-N 3.35Å; L78-L94 HydrophobicContact CB-CD1 4.31Å; L78-L94 HydrophobicContact CB-CD2 3.88Å; L78-L94 HydrophobicContact CB-CG 4.25Å; L94-S96 WeakPolarHBondContact CB-O 3.46Å; L94-V99 HydrophobicContact CD1-CB 3.91Å; L94-V99 HydrophobicContact CD1-CG1 4.13Å; L94-V99 HydrophobicContact CD1-CG2 4.07Å; L94-C113 WeakPolarHBondContact CD2-SG 3.31Å; L94-Y123 HydrophobicContact CD2-CE2 4.16Å; L94-Y123 VanDerWaalsContact CD2-OH 3.26Å; L94-Y123 WeakPolarHBondContact CD2-OH 3.35Å
95	R	91.1	Very high	96.5	Very high	193 Å²	193	52.6 Å²	52.6	73%	0.728	28%	0.276	S	S	*	.	S	Bend	trans	-69.8	-40.6	173.3	-68	-175.7	-178.1	169	10.4	111.8	E137	R95-E137 IonicContact CZ-OE1 3.5Å; R95-E137 IonicContact CZ-OE2 2.8Å; R95-E137 IonicContact NE-OE1 2.68Å; R95-E137 VanDerWaalsContact NH1-CD 3.31Å; R95-E137 IonicContact NH1-OE1 3.32Å; R95-E137 PolarHBondContact NH1-OE1 2.98Å; R95-E137 IonicContact NH1-OE2 3.56Å; R95-E137 PolarHBondContact NH1-OE2 3.32Å; R95-E137 IonicContact NH2-OE1 3.7Å; R95-E137 PolarHBondContact NH2-OE1 2.97Å
96	S	92.8	Very high	96.6	Very high	26 Å²	26	52.3 Å²	52.3	18%	0.182	28%	0.275	C	S	.	.			trans	-102	131.4	174.7	-177.1	0	0	0	0	110.2	L94 W98 D117	L94-S96 WeakPolarHBondContact CB-O 3.46Å; S96-W98 VanDerWaalsContact C-N 3.3Å; S96-W98 PolarHBondContact OG-N 3.09Å; S96-D117 VanDerWaalsContact CB-OD2 3.27Å; S96-D117 WeakPolarHBondContact CB-OD2 3.33Å
97	S	94.1	Very high	96.5	Very high	50 Å²	50	52.1 Å²	52.1	35%	0.35	28%	0.276	S	S	.	.	S	Bend	trans	-73.4	-24.3	173.3	55	0	0	0	0	112.3	Q74 V99	Q74-S97 VanDerWaalsContact CA-O 3.24Å; Q74-S97 WeakPolarHBondContact CA-O 3.2Å; S97-V99 VanDerWaalsContact C-N 3.26Å; S97-V99 PolarHBondContact O-N 2.94Å
98	W	95.6	Very high	96.5	Very high	133 Å²	133	48.1 Å²	48.1	50%	0.504	26%	0.258	S	S	.	.			trans	-88.1	58.1	-171.3	-62.2	102.5	0	0	0	112.6	Q74 S96 G115 L116	Q74-W98 HydrophobicContact CG-CE3 4.47Å; S96-W98 VanDerWaalsContact C-N 3.3Å; S96-W98 PolarHBondContact OG-N 3.09Å; W98-G115 WeakPolarHBondContact O-CA 3.41Å; W98-L116 HydrophobicContact CB-CB 3.78Å; W98-L116 HydrophobicContact CB-CD1 3.65Å; W98-L116 HydrophobicContact CB-CG 3.71Å; W98-L116 HydrophobicContact CD2-CD1 4.01Å; W98-L116 HydrophobicContact CE3-CD1 4.21Å; W98-L116 HydrophobicContact CG-CD1 3.79Å; W98-L116 HydrophobicContact CG-CG 4.39Å; W98-L116 PolarHBondContact O-N 3.27Å
99	V	97.3	Very high	96.4	Very high	4 Å²	4	45 Å²	45	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.2	176.6	68.1	0	0	0	0	111	A72 S73 L94 S97 T101 C113 G114	A72-V99 HydrophobicContact CB-CB 4.36Å; A72-V99 HydrophobicContact CB-CG1 3.72Å; A72-V99 HydrophobicContact CB-CG2 3.68Å; S73-V99 WeakPolarHBondContact O-CG1 3.47Å; L94-V99 HydrophobicContact CD1-CB 3.91Å; L94-V99 HydrophobicContact CD1-CG1 4.13Å; L94-V99 HydrophobicContact CD1-CG2 4.07Å; S97-V99 VanDerWaalsContact C-N 3.26Å; S97-V99 PolarHBondContact O-N 2.94Å; V99-T101 WeakPolarHBondContact CG2-O 3.17Å; V99-C113 HydrophobicContact CG2-CB 3.87Å; V99-G114 WeakPolarHBondContact CG2-O 3.42Å
100	M	98.3	Very high	96.5	Very high	42 Å²	42	43.9 Å²	43.9	21%	0.207	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-28.5	179.4	-65.1	179.8	66.4	0	0	112.2	Y58 G114 L116 Y144 L145	Y58-M100 HydrophobicContact CD1-CG 4.49Å; M100-G114 PolarHBondContact N-O 3.39Å; M100-L116 HydrophobicContact SD-CD2 3.9Å; M100-L116 HydrophobicContact SD-CG 4.48Å; M100-Y144 HydrophobicContact CE-CD2 3.65Å; M100-Y144 HydrophobicContact CE-CE2 3.71Å; M100-Y144 HydrophobicContact CE-CG 4.5Å; M100-Y144 HydrophobicContact SD-CD2 3.6Å; M100-Y144 HydrophobicContact SD-CE2 4.29Å; M100-Y144 HydrophobicContact SD-CG 4.03Å; M100-L145 WeakPolarHBondContact CB-O 3.33Å
101	T	98.6	Very high	96.6	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.6	-178.6	-179.3	0	0	0	0	112.5	V99 C113 G114 L145 S146 C147 C148	V99-T101 WeakPolarHBondContact CG2-O 3.17Å; T101-C113 VanDerWaalsContact O-CA 3.23Å; T101-C113 WeakPolarHBondContact O-CA 3.36Å; T101-C113 WeakPolarHBondContact O-CB 3.28Å; T101-G114 PolarHBondContact N-O 3.04Å; T101-G114 VanDerWaalsContact N-O 3.09Å; T101-G114 PolarHBondContact O-N 3.28Å; T101-L145 HydrophobicContact CG2-CD2 3.74Å; T101-L145 HydrophobicContact CG2-CG 4.11Å; T101-S146 WeakPolarHBondContact CB-O 3.5Å; T101-C147 WeakPolarHBondContact OG1-CA 3.33Å; T101-C148 HydrophobicContact CG2-CB 4.34Å; T101-C148 PolarHBondContact OG1-N 2.91Å; T101-C148 PolarHBondContact OG1-SG 2.75Å; T101-C148 VanDerWaalsContact OG1-SG 3.33Å
102	C	98.6	Very high	96.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.4	160.2	60	0	0	0	0	111.5	A59 V70 A72 L78 A112 C113	A59-C102 VanDerWaalsContact C-SG 3.59Å; V70-C102 HydrophobicContact CG1-CB 4.27Å; V70-C102 HydrophobicContact CG2-CB 4.49Å; A72-C102 HydrophobicContact CB-CB 3.9Å; L78-C102 HydrophobicContact CD1-CB 3.57Å; C102-A112 CarbonylContact C-O 3.59Å; C102-A112 WeakPolarHBondContact CA-O 3.43Å; C102-A112 WeakPolarHBondContact CB-O 3.34Å; C102-C113 HydrophobicContact CB-CB 4.44Å
103	A	98.8	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.2	174.4	0	0	0	0	0	111.3	V111 A112 C148 F150	A103-V111 CarbonylContact O-C 3.51Å; A103-V111 WeakPolarHBondContact O-CA 3.43Å; A103-V111 WeakPolarHBondContact O-CB 3.35Å; A103-A112 HydrophobicContact CB-CB 4.43Å; A103-A112 PolarHBondContact N-O 2.94Å; A103-A112 PolarHBondContact O-N 2.9Å; A103-C148 WeakPolarHBondContact CB-O 3.15Å; A103-F150 HydrophobicContact CB-CD2 3.83Å; A103-F150 HydrophobicContact CB-CE2 3.93Å
104	Y	98.5	Very high	96.9	Very high	17 Å²	17	33.6 Å²	33.6	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.3	171.7	-147.6	-49	0	0	0	107.8	H61 N68 V70 V80 V111 L125	H61-Y104 WeakPolarHBondContact ND1-CB 3.22Å; H61-Y104 PolarHBondContact ND1-N 3.03Å; N68-Y104 HydrophobicContact CB-CE2 4.14Å; V70-Y104 HydrophobicContact CB-CD2 4.09Å; V70-Y104 HydrophobicContact CG1-CD2 4.08Å; V80-Y104 HydrophobicContact CG1-CE2 3.97Å; Y104-V111 HydrophobicContact CD1-CG1 4.21Å; Y104-V111 HydrophobicContact CD2-CG1 4.1Å; Y104-V111 HydrophobicContact CE1-CG1 4.32Å; Y104-V111 HydrophobicContact CE2-CG1 4.29Å; Y104-V111 HydrophobicContact CG-CG1 4.07Å; Y104-L125 HydrophobicContact CE1-CD1 3.94Å; Y104-L125 VanDerWaalsContact OH-CD1 3.31Å; Y104-L125 WeakPolarHBondContact OH-CD1 3.25Å
105	A	98.4	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.			trans	-66.1	141.3	176.9	0	0	0	0	0	111.4	S107 G108 Y110 F150	A105-S107 PolarHBondContact O-N 3.06Å; A105-G108 PolarHBondContact O-N 2.7Å; A105-Y110 WeakPolarHBondContact CB-O 3.2Å; A105-Y110 PolarHBondContact N-O 3.19Å; A105-F150 HydrophobicContact CB-CB 4.28Å; A105-F150 HydrophobicContact CB-CD1 4.08Å; A105-F150 HydrophobicContact CB-CD2 3.83Å; A105-F150 HydrophobicContact CB-CE1 4.31Å; A105-F150 HydrophobicContact CB-CE2 4.08Å; A105-F150 HydrophobicContact CB-CG 3.82Å; A105-F150 HydrophobicContact CB-CZ 4.3Å
106	P	97.9	Very high	97.3	Very high	54 Å²	54	27.4 Å²	27.4	35%	0.351	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.4	-178.5	-28.6	34.4	0	0	0	115	T64 G108	T64-P106 HydrophobicContact CG2-CB 4.12Å; T64-P106 PolarHBondContact OG1-O 2.97Å; P106-G108 VanDerWaalsContact C-N 3.27Å; P106-G108 PolarHBondContact O-N 3.3Å
107	S	97	Very high	97.5	Very high	50 Å²	50	28.7 Å²	28.7	35%	0.35	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.7	177.8	67.5	0	0	0	0	114.5	A105 N109 D153	A105-S107 PolarHBondContact O-N 3.06Å; S107-N109 VanDerWaalsContact C-N 3.26Å; S107-N109 WeakPolarHBondContact CB-ND2 3.3Å; S107-N109 PolarHBondContact O-N 2.85Å; S107-N109 VanDerWaalsContact OG-CB 3.28Å; S107-N109 WeakPolarHBondContact OG-CB 3.26Å; S107-N109 PolarHBondContact OG-N 2.97Å; S107-N109 PolarHBondContact OG-ND2 3.03Å; S107-D153 WeakPolarHBondContact CB-OD1 3.35Å; S107-D153 WeakPolarHBondContact CB-OD2 3.48Å; S107-D153 PolarHBondContact OG-OD1 3.19Å; S107-D153 PolarHBondContact OG-OD2 3.06Å; S107-D153 VanDerWaalsContact OG-OD2 3.09Å
108	G	96.2	Very high	97.7	Very high	17 Å²	17	28.5 Å²	28.5	18%	0.175	15%	0.149	C	C	.	.	S	Bend	trans	80.1	-1.1	-169	0	0	0	0	0	114.7	A105 P106	A105-G108 PolarHBondContact O-N 2.7Å; P106-G108 VanDerWaalsContact C-N 3.27Å; P106-G108 PolarHBondContact O-N 3.3Å
109	N	95.5	Very high	97.8	Very high	36 Å²	36	24.3 Å²	24.3	19%	0.193	14%	0.136	C	C	.	.	S	Bend	trans	-86.8	-31.2	-170.5	-62.5	-29.9	0	0	0	114	S107 L125 K126 D153	S107-N109 VanDerWaalsContact C-N 3.26Å; S107-N109 WeakPolarHBondContact CB-ND2 3.3Å; S107-N109 PolarHBondContact O-N 2.85Å; S107-N109 VanDerWaalsContact OG-CB 3.28Å; S107-N109 WeakPolarHBondContact OG-CB 3.26Å; S107-N109 PolarHBondContact OG-N 2.97Å; S107-N109 PolarHBondContact OG-ND2 3.03Å; N109-L125 WeakPolarHBondContact O-CB 3.48Å; N109-L125 PolarHBondContact O-N 3.28Å; N109-K126 WeakPolarHBondContact OD1-CD 3.49Å; N109-K126 WeakPolarHBondContact OD1-CE 3.4Å; N109-K126 PolarHBondContact OD1-NZ 2.96Å; N109-D153 PolarHBondContact ND2-OD2 3.38Å
110	Y	97.7	Very high	97.8	Very high	47 Å²	47	24.2 Å²	24.2	18%	0.184	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.7	-172.8	-59.6	-85.2	0	0	0	112.4	A105 I122 Y123 N124 D153	A105-Y110 WeakPolarHBondContact CB-O 3.2Å; A105-Y110 PolarHBondContact N-O 3.19Å; Y110-I122 HydrophobicContact CD1-CG2 3.81Å; Y110-I122 HydrophobicContact CG-CG2 4.26Å; Y110-Y123 VanDerWaalsContact CA-O 3.24Å; Y110-Y123 WeakPolarHBondContact CA-O 3.27Å; Y110-Y123 WeakPolarHBondContact CD1-O 3.06Å; Y110-N124 HydrophobicContact CD1-CB 3.99Å; Y110-N124 HydrophobicContact CE1-CB 3.7Å; Y110-D153 HydrophobicContact CD2-CB 4.09Å; Y110-D153 HydrophobicContact CE2-CB 3.82Å
111	V	98.4	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148	162.1	-66.4	0	0	0	0	109.3	V70 L78 V80 I92 A103 Y104 Y123 L125	V70-V111 HydrophobicContact CB-CG1 4.16Å; V70-V111 HydrophobicContact CG1-CG1 4.37Å; V70-V111 HydrophobicContact CG2-CB 4.4Å; V70-V111 HydrophobicContact CG2-CG1 4.16Å; L78-V111 HydrophobicContact CD2-CB 4.26Å; L78-V111 HydrophobicContact CD2-CG2 3.68Å; V80-V111 HydrophobicContact CG2-CG1 4.26Å; I92-V111 HydrophobicContact CD1-CG2 3.89Å; A103-V111 CarbonylContact O-C 3.51Å; A103-V111 WeakPolarHBondContact O-CA 3.43Å; A103-V111 WeakPolarHBondContact O-CB 3.35Å; Y104-V111 HydrophobicContact CD1-CG1 4.21Å; Y104-V111 HydrophobicContact CD2-CG1 4.1Å; Y104-V111 HydrophobicContact CE1-CG1 4.32Å; Y104-V111 HydrophobicContact CE2-CG1 4.29Å; Y104-V111 HydrophobicContact CG-CG1 4.07Å; V111-Y123 HydrophobicContact CG2-CD2 4.42Å; V111-Y123 HydrophobicContact CG2-CG 4.49Å; V111-Y123 PolarHBondContact N-O 3.17Å; V111-Y123 PolarHBondContact O-N 3.12Å; V111-L125 HydrophobicContact CG1-CD1 3.85Å; V111-L125 HydrophobicContact CG1-CD2 4.4Å; V111-L125 HydrophobicContact CG1-CG 4.31Å; V111-L125 HydrophobicContact CG2-CD2 3.86Å; V111-L125 HydrophobicContact CG2-CG 4.38Å
112	A	98.5	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.7	174.2	0	0	0	0	0	110.8	C102 A103 S121 I122 F150 I156	C102-A112 CarbonylContact C-O 3.59Å; C102-A112 WeakPolarHBondContact CA-O 3.43Å; C102-A112 WeakPolarHBondContact CB-O 3.34Å; A103-A112 HydrophobicContact CB-CB 4.43Å; A103-A112 PolarHBondContact N-O 2.94Å; A103-A112 PolarHBondContact O-N 2.9Å; A112-S121 CarbonylContact C-O 3.56Å; A112-S121 WeakPolarHBondContact CA-O 3.42Å; A112-I122 HydrophobicContact CB-CG1 4.27Å; A112-F150 HydrophobicContact CB-CE2 3.55Å; A112-F150 HydrophobicContact CB-CZ 3.53Å; A112-I156 HydrophobicContact CB-CD1 3.65Å
113	C	98.5	Very high	97.7	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.027	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	164.1	167.1	71	0	0	0	0	111.6	L78 L94 V99 T101 C102 S121	L78-C113 HydrophobicContact CD1-CB 4.13Å; L78-C113 HydrophobicContact CD2-CB 4.14Å; L94-C113 WeakPolarHBondContact CD2-SG 3.31Å; V99-C113 HydrophobicContact CG2-CB 3.87Å; T101-C113 VanDerWaalsContact O-CA 3.23Å; T101-C113 WeakPolarHBondContact O-CA 3.36Å; T101-C113 WeakPolarHBondContact O-CB 3.28Å; C102-C113 HydrophobicContact CB-CB 4.44Å; C113-S121 PolarHBondContact N-O 3.14Å; C113-S121 PolarHBondContact O-N 3.23Å
114	G	97.9	Very high	97.5	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	174.2	168.9	0	0	0	0	0	111.6	V99 M100 T101 I119	V99-G114 WeakPolarHBondContact CG2-O 3.42Å; M100-G114 PolarHBondContact N-O 3.39Å; T101-G114 PolarHBondContact N-O 3.04Å; T101-G114 VanDerWaalsContact N-O 3.09Å; T101-G114 PolarHBondContact O-N 3.28Å; G114-I119 VanDerWaalsContact CA-O 3.31Å; G114-I119 WeakPolarHBondContact CA-O 3.11Å
115	G	97.9	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-125.1	176.9	0	0	0	0	0	112.1	W98 D117 N118 Y144 L145	W98-G115 WeakPolarHBondContact O-CA 3.41Å; G115-D117 PolarHBondContact N-OD1 2.93Å; G115-D117 PolarHBondContact O-N 2.54Å; G115-D117 VanDerWaalsContact O-N 3.1Å; G115-N118 PolarHBondContact O-N 3.16Å; G115-N118 VanDerWaalsContact O-N 3.11Å; G115-Y144 CarbonylContact O-C 3.51Å; G115-Y144 WeakPolarHBondContact O-CA 3.32Å; G115-L145 PolarHBondContact O-N 2.92Å
116	L	97.2	Very high	96.8	Very high	89 Å²	89	31.1 Å²	31.1	47%	0.466	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.8	-175.3	-59.4	-174.5	0	0	0	114.9	W98 M100 N118 Y144	W98-L116 HydrophobicContact CB-CB 3.78Å; W98-L116 HydrophobicContact CB-CD1 3.65Å; W98-L116 HydrophobicContact CB-CG 3.71Å; W98-L116 HydrophobicContact CD2-CD1 4.01Å; W98-L116 HydrophobicContact CE3-CD1 4.21Å; W98-L116 HydrophobicContact CG-CD1 3.79Å; W98-L116 HydrophobicContact CG-CG 4.39Å; W98-L116 PolarHBondContact O-N 3.27Å; M100-L116 HydrophobicContact SD-CD2 3.9Å; M100-L116 HydrophobicContact SD-CG 4.48Å; L116-N118 VanDerWaalsContact C-N 3.28Å; L116-N118 PolarHBondContact O-OD1 2.83Å; L116-Y144 HydrophobicContact CD2-CD1 4.39Å; L116-Y144 HydrophobicContact CD2-CG 4.14Å
117	D	96.7	Very high	95.8	Very high	52 Å²	52	30.4 Å²	30.4	28%	0.278	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.4	172.1	57.6	-6.3	0	0	0	113.1	S96 G115 I119	S96-D117 VanDerWaalsContact CB-OD2 3.27Å; S96-D117 WeakPolarHBondContact CB-OD2 3.33Å; G115-D117 PolarHBondContact N-OD1 2.93Å; G115-D117 PolarHBondContact O-N 2.54Å; G115-D117 VanDerWaalsContact O-N 3.1Å; D117-I119 WeakPolarHBondContact O-CG1 3.42Å; D117-I119 PolarHBondContact O-N 2.77Å; D117-I119 VanDerWaalsContact O-N 3.09Å
118	N	97.6	Very high	94.6	Very high	46 Å²	46	40.5 Å²	40.5	25%	0.246	19%	0.192	C	C	.	.			trans	60.8	14.1	179	-52.3	-4.6	0	0	0	114	G115 L116 T142 G143 Y144	G115-N118 PolarHBondContact O-N 3.16Å; G115-N118 VanDerWaalsContact O-N 3.11Å; L116-N118 VanDerWaalsContact C-N 3.28Å; L116-N118 PolarHBondContact O-OD1 2.83Å; N118-T142 PolarHBondContact ND2-O 2.86Å; N118-G143 VanDerWaalsContact CB-O 3.25Å; N118-G143 WeakPolarHBondContact CB-O 3.36Å; N118-G143 PolarHBondContact OD1-O 3.04Å; N118-Y144 WeakPolarHBondContact OD1-CA 3.49Å; N118-Y144 PolarHBondContact OD1-N 2.87Å
119	I	97.6	Very high	93.4	Very high	46 Å²	46	46 Å²	46	24%	0.236	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.1	-174.7	-67.2	165.3	0	0	0	109.2	G114 D117 E137	G114-I119 VanDerWaalsContact CA-O 3.31Å; G114-I119 WeakPolarHBondContact CA-O 3.11Å; D117-I119 WeakPolarHBondContact O-CG1 3.42Å; D117-I119 PolarHBondContact O-N 2.77Å; D117-I119 VanDerWaalsContact O-N 3.09Å; I119-E137 HydrophobicContact CG2-CB 3.84Å; I119-E137 HydrophobicContact CG2-CG 4.33Å
120	C	98.1	Very high	92.4	Very high	2 Å²	2	47 Å²	47	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	108.6	165	-175.2	0	0	0	0	109.5	L138 L145 T158	C120-L138 HydrophobicContact CB-CB 4.13Å; C120-L138 HydrophobicContact CB-CD1 4.23Å; C120-L138 PolarHBondContact N-O 2.87Å; C120-L138 PolarHBondContact O-N 2.78Å; C120-L145 HydrophobicContact CB-CD1 4.42Å; C120-L145 HydrophobicContact CB-CD2 3.59Å; C120-T158 HydrophobicContact CB-CG2 4.11Å
121	S	98.1	Very high	91.7	Very high	7 Å²	7	50.1 Å²	50.1	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.7	177.6	-63.3	0	0	0	0	110.6	A112 C113	A112-S121 CarbonylContact C-O 3.56Å; A112-S121 WeakPolarHBondContact CA-O 3.42Å; C113-S121 PolarHBondContact N-O 3.14Å; C113-S121 PolarHBondContact O-N 3.23Å
122	I	97.8	Very high	91.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.1	-179.5	-61.6	171	0	0	0	109.1	Y110 A112 S135 R136 L138 F150 I156 I170	Y110-I122 HydrophobicContact CD1-CG2 3.81Å; Y110-I122 HydrophobicContact CG-CG2 4.26Å; A112-I122 HydrophobicContact CB-CG1 4.27Å; I122-S135 WeakPolarHBondContact O-CB 3.21Å; I122-S135 PolarHBondContact O-N 3.01Å; I122-R136 HydrophobicContact CB-CB 4.41Å; I122-R136 PolarHBondContact N-O 3.16Å; I122-R136 PolarHBondContact O-N 3.47Å; I122-L138 HydrophobicContact CD1-CD1 3.79Å; I122-L138 HydrophobicContact CD1-CG 4.24Å; I122-F150 HydrophobicContact CD1-CE1 4.44Å; I122-F150 HydrophobicContact CG1-CZ 4.47Å; I122-F150 HydrophobicContact CG2-CE1 4.37Å; I122-F150 HydrophobicContact CG2-CZ 4.28Å; I122-I156 HydrophobicContact CD1-CG2 4.37Å; I122-I170 HydrophobicContact CD1-CB 4.1Å; I122-I170 HydrophobicContact CD1-CD1 3.79Å; I122-I170 HydrophobicContact CD1-CG1 3.53Å; I122-I170 HydrophobicContact CD1-CG2 3.58Å; I122-I170 HydrophobicContact CG2-CG2 4.47Å
123	Y	97.2	Very high	90.8	Very high	8 Å²	8	58.7 Å²	58.7	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.6	-177.3	-60.2	-97	0	0	0	110.2	L78 I92 L94 Y110 V111 V132 V134	L78-Y123 HydrophobicContact CD2-CD2 4.19Å; L78-Y123 HydrophobicContact CD2-CE2 4.37Å; I92-Y123 HydrophobicContact CD1-CD1 4.49Å; I92-Y123 HydrophobicContact CD1-CG 4.32Å; I92-Y123 HydrophobicContact CG2-CD1 3.54Å; I92-Y123 HydrophobicContact CG2-CE1 3.4Å; I92-Y123 HydrophobicContact CG2-CG 4.26Å; L94-Y123 HydrophobicContact CD2-CE2 4.16Å; L94-Y123 VanDerWaalsContact CD2-OH 3.26Å; L94-Y123 WeakPolarHBondContact CD2-OH 3.35Å; Y110-Y123 VanDerWaalsContact CA-O 3.24Å; Y110-Y123 WeakPolarHBondContact CA-O 3.27Å; Y110-Y123 WeakPolarHBondContact CD1-O 3.06Å; V111-Y123 HydrophobicContact CG2-CD2 4.42Å; V111-Y123 HydrophobicContact CG2-CG 4.49Å; V111-Y123 PolarHBondContact N-O 3.17Å; V111-Y123 PolarHBondContact O-N 3.12Å; Y123-V132 HydrophobicContact CD1-CG1 4.28Å; Y123-V134 HydrophobicContact CD1-CG2 4Å; Y123-V134 HydrophobicContact CE1-CB 4.36Å; Y123-V134 HydrophobicContact CE1-CG2 3.39Å
124	N	95.3	Very high	90.5	Very high	38 Å²	38	60.8 Å²	60.8	20%	0.203	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.6	174.3	-171.1	-26.1	0	0	0	109.3	Y110 K126 T127 R133	Y110-N124 HydrophobicContact CD1-CB 3.99Å; Y110-N124 HydrophobicContact CE1-CB 3.7Å; N124-K126 WeakPolarHBondContact OD1-CA 3.43Å; N124-K126 PolarHBondContact OD1-N 3.13Å; N124-K126 PolarHBondContact OD1-O 2.93Å; N124-T127 HydrophobicContact CB-CG2 4.46Å; N124-T127 WeakPolarHBondContact O-CG2 3.3Å; N124-R133 PolarHBondContact N-O 3.43Å
125	L	94.3	Very high	90.2	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.079	32%	0.317	C	S	.	.	S	Bend	trans	-78.6	-24.4	177.8	-60.4	-175.2	0	0	0	112.5	V80 I92 Y104 N109 V111 T127 V132	V80-L125 HydrophobicContact CG2-CD1 4.29Å; V80-L125 HydrophobicContact CG2-CD2 4.12Å; I92-L125 HydrophobicContact CD1-CD2 4.12Å; Y104-L125 HydrophobicContact CE1-CD1 3.94Å; Y104-L125 VanDerWaalsContact OH-CD1 3.31Å; Y104-L125 WeakPolarHBondContact OH-CD1 3.25Å; N109-L125 WeakPolarHBondContact O-CB 3.48Å; N109-L125 PolarHBondContact O-N 3.28Å; V111-L125 HydrophobicContact CG1-CD1 3.85Å; V111-L125 HydrophobicContact CG1-CD2 4.4Å; V111-L125 HydrophobicContact CG1-CG 4.31Å; V111-L125 HydrophobicContact CG2-CD2 3.86Å; V111-L125 HydrophobicContact CG2-CG 4.38Å; L125-T127 PolarHBondContact O-N 2.81Å; L125-V132 HydrophobicContact CD2-CG1 4.3Å; L125-V132 HydrophobicContact CD2-CG2 4.34Å
126	K	86.8	Confident	90	Very high	141 Å²	141	68 Å²	68	61%	0.613	34%	0.335	S	S	*	.			trans	-96.5	64.6	-179.7	-66.3	-169.4	-177.3	163.2	0	111.3	N109 N124	N109-K126 WeakPolarHBondContact OD1-CD 3.49Å; N109-K126 WeakPolarHBondContact OD1-CE 3.4Å; N109-K126 PolarHBondContact OD1-NZ 2.96Å; N124-K126 WeakPolarHBondContact OD1-CA 3.43Å; N124-K126 PolarHBondContact OD1-N 3.13Å; N124-K126 PolarHBondContact OD1-O 2.93Å
127	T	76.8	Confident	90	Very high	38 Å²	38	66.6 Å²	66.6	23%	0.233	33%	0.326	C	S	.	.			trans	-89.1	134.1	172.2	61.2	0	0	0	0	111.3	N124 L125 E129 G130 N131	N124-T127 HydrophobicContact CB-CG2 4.46Å; N124-T127 WeakPolarHBondContact O-CG2 3.3Å; L125-T127 PolarHBondContact O-N 2.81Å; T127-E129 PolarHBondContact O-N 2.75Å; T127-G130 PolarHBondContact O-N 3.13Å; T127-N131 PolarHBondContact OG1-O 2.77Å
128	R	72.9	Confident	90	Very high	262 Å²	262	64.2 Å²	64.2	99%	0.989	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.8	173.3	-67.3	-176.5	179.6	-176.4	0.4	113.1	G130	R128-G130 VanDerWaalsContact C-N 3.34Å
129	E	70.5	Confident	89.7	Confident	134 Å²	134	66 Å²	66	63%	0.626	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	2.4	-174.6	-60.3	-179.3	178.4	0	0	113.7	T127 N131 R133	T127-E129 PolarHBondContact O-N 2.75Å; E129-N131 PolarHBondContact O-N 3.09Å; E129-R133 IonicContact OE2-CZ 3.23Å; E129-R133 IonicContact OE2-NE 3.75Å; E129-R133 IonicContact OE2-NH2 3.59Å; E129-R133 PolarHBondContact OE2-NH2 2.74Å
130	G	75.1	Confident	89.1	Confident	55 Å²	55	66 Å²	66	57%	0.567	34%	0.339	S	S	*	.	S	Bend	trans	74.3	-25.5	-179.7	0	0	0	0	0	115.6	T127 R128	T127-G130 PolarHBondContact O-N 3.13Å; R128-G130 VanDerWaalsContact C-N 3.34Å
131	N	83.5	Confident	89.1	Confident	114 Å²	114	66.6 Å²	66.6	61%	0.61	34%	0.342	S	S	*	.	S	Bend	trans	-88.9	116.7	177	-70.3	-23.4	0	0	0	111.5	T127 E129 R133	T127-N131 PolarHBondContact OG1-O 2.77Å; E129-N131 PolarHBondContact O-N 3.09Å; N131-R133 PolarHBondContact O-N 2.93Å
132	V	89.9	Confident	89	Confident	32 Å²	32	72 Å²	72	19%	0.194	37%	0.374	C	S	.	.			trans	-64.4	123.6	172.9	179.2	0	0	0	0	109.5	H90 I92 Y123 L125	H90-V132 HydrophobicContact CB-CG2 4.42Å; H90-V132 WeakPolarHBondContact ND1-CG2 3.49Å; I92-V132 HydrophobicContact CD1-CB 4.45Å; I92-V132 HydrophobicContact CD1-CG1 3.64Å; I92-V132 HydrophobicContact CG1-CB 4.14Å; I92-V132 HydrophobicContact CG1-CG1 3.79Å; Y123-V132 HydrophobicContact CD1-CG1 4.28Å; L125-V132 HydrophobicContact CD2-CG1 4.3Å; L125-V132 HydrophobicContact CD2-CG2 4.34Å
133	R	87.8	Confident	89	Confident	148 Å²	148	72.6 Å²	72.6	56%	0.558	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.6	177.5	-60.8	-174.2	-169.1	-165.5	6	110.4	N124 E129 N131 S135	N124-R133 PolarHBondContact N-O 3.43Å; E129-R133 IonicContact OE2-CZ 3.23Å; E129-R133 IonicContact OE2-NE 3.75Å; E129-R133 IonicContact OE2-NH2 3.59Å; E129-R133 PolarHBondContact OE2-NH2 2.74Å; N131-R133 PolarHBondContact O-N 2.93Å; R133-S135 PolarHBondContact O-N 3.1Å
134	V	90.9	Very high	89.1	Confident	48 Å²	48	74.7 Å²	74.7	29%	0.291	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	120.2	167.8	-176.1	0	0	0	0	107.9	Y123 E137	Y123-V134 HydrophobicContact CD1-CG2 4Å; Y123-V134 HydrophobicContact CE1-CB 4.36Å; Y123-V134 HydrophobicContact CE1-CG2 3.39Å; V134-E137 HydrophobicContact CG1-CG 3.65Å
135	S	91.7	Very high	89.2	Confident	55 Å²	55	72.9 Å²	72.9	39%	0.385	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-41	175.2	-168.4	0	0	0	0	111	I122 R133	I122-S135 WeakPolarHBondContact O-CB 3.21Å; I122-S135 PolarHBondContact O-N 3.01Å; R133-S135 PolarHBondContact O-N 3.1Å
136	R	94.8	Very high	89.4	Confident	98 Å²	98	72.7 Å²	72.7	37%	0.37	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	145.7	-179	-167.8	67.3	64.7	-168.5	-4.5	110.3	I122 L138 I170 E171	I122-R136 HydrophobicContact CB-CB 4.41Å; I122-R136 PolarHBondContact N-O 3.16Å; I122-R136 PolarHBondContact O-N 3.47Å; R136-L138 HydrophobicContact CG-CD2 3.71Å; R136-L138 HydrophobicContact CG-CG 4.47Å; R136-I170 HydrophobicContact CB-CG2 4.45Å; R136-I170 WeakPolarHBondContact CG-O 3.4Å; R136-I170 PolarHBondContact NE-O 2.8Å; R136-E171 VanDerWaalsContact CZ-O 3.23Å; R136-E171 PolarHBondContact NH2-O 2.91Å
137	E	96.3	Very high	90	Very high	59 Å²	59	66.3 Å²	66.3	28%	0.276	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.2	165	-65.3	-179.3	159.4	0	0	106.6	R95 I119 V134 P139	R95-E137 IonicContact CZ-OE1 3.5Å; R95-E137 IonicContact CZ-OE2 2.8Å; R95-E137 IonicContact NE-OE1 2.68Å; R95-E137 VanDerWaalsContact NH1-CD 3.31Å; R95-E137 IonicContact NH1-OE1 3.32Å; R95-E137 PolarHBondContact NH1-OE1 2.98Å; R95-E137 IonicContact NH1-OE2 3.56Å; R95-E137 PolarHBondContact NH1-OE2 3.32Å; R95-E137 IonicContact NH2-OE1 3.7Å; R95-E137 PolarHBondContact NH2-OE1 2.97Å; I119-E137 HydrophobicContact CG2-CB 3.84Å; I119-E137 HydrophobicContact CG2-CG 4.33Å; V134-E137 HydrophobicContact CG1-CG 3.65Å; E137-P139 VanDerWaalsContact C-CD 3.46Å; E137-P139 WeakPolarHBondContact O-CD 3.39Å
138	L	96.9	Very high	91	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	88.2	179.7	-55.9	177.4	0	0	0	108.9	C120 I122 R136 I156 W168	C120-L138 HydrophobicContact CB-CB 4.13Å; C120-L138 HydrophobicContact CB-CD1 4.23Å; C120-L138 PolarHBondContact N-O 2.87Å; C120-L138 PolarHBondContact O-N 2.78Å; I122-L138 HydrophobicContact CD1-CD1 3.79Å; I122-L138 HydrophobicContact CD1-CG 4.24Å; R136-L138 HydrophobicContact CG-CD2 3.71Å; R136-L138 HydrophobicContact CG-CG 4.47Å; L138-I156 HydrophobicContact CD1-CG2 3.57Å; L138-W168 HydrophobicContact CB-CD2 4.2Å; L138-W168 HydrophobicContact CB-CE3 3.91Å; L138-W168 HydrophobicContact CB-CZ3 4.2Å; L138-W168 HydrophobicContact CD1-CB 3.73Å; L138-W168 HydrophobicContact CD1-CD2 4.14Å; L138-W168 HydrophobicContact CD1-CE3 4.42Å; L138-W168 HydrophobicContact CD1-CG 3.83Å; L138-W168 HydrophobicContact CD2-CE3 4.32Å; L138-W168 HydrophobicContact CG-CE3 4.45Å
139	P	92	Very high	92.3	Very high	83 Å²	83	54.8 Å²	54.8	54%	0.539	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.8	172.6	33.5	-33.6	0	0	0	109.9	E137	E137-P139 VanDerWaalsContact C-CD 3.46Å; E137-P139 WeakPolarHBondContact O-CD 3.39Å
140	G	85.4	Confident	93.6	Very high	47 Å²	47	48.8 Å²	48.8	49%	0.485	28%	0.276	S	S	.	.			trans	166.5	-19.1	165.8	0	0	0	0	0	114.7
141	H	96.2	Very high	94.7	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.069	25%	0.252	C	S	.	.			trans	-66.8	144.2	164.9	-79.4	-57.8	0	0	0	111.3	T158 S160 D162 T164 W168	H141-T158 PolarHBondContact NE2-OG1 3.41Å; H141-S160 VanDerWaalsContact CE1-CB 3.46Å; H141-S160 WeakPolarHBondContact CE1-CB 3.34Å; H141-S160 VanDerWaalsContact CG-CB 3.46Å; H141-S160 WeakPolarHBondContact ND1-CB 3.41Å; H141-S160 PolarHBondContact ND1-OG 3.1Å; H141-D162 VanDerWaalsContact CA-OD2 3.25Å; H141-D162 WeakPolarHBondContact CA-OD2 3.22Å; H141-D162 WeakPolarHBondContact CB-OD2 3.13Å; H141-D162 IonicContact CG-OD2 3.89Å; H141-D162 IonicContact ND1-OD1 3.38Å; H141-D162 PolarHBondContact ND1-OD1 3.27Å; H141-D162 IonicContact ND1-OD2 3.25Å; H141-D162 PolarHBondContact ND1-OD2 2.9Å; H141-T164 PolarHBondContact CE1-OG1 2.85Å; H141-T164 PolarHBondContact ND1-OG1 2.98Å; H141-W168 AromaticContact CD2-CZ2 3.9Å
142	T	97.5	Very high	95.4	Very high	119 Å²	119	44.5 Å²	44.5	73%	0.73	24%	0.24	S	C	*	.	S	Bend	trans	-101	-2.2	177.6	58.8	0	0	0	0	112.7	N118 D162	N118-T142 PolarHBondContact ND2-O 2.86Å; T142-D162 PolarHBondContact N-OD2 2.87Å; T142-D162 VanDerWaalsContact OG1-CB 3.25Å; T142-D162 WeakPolarHBondContact OG1-CB 3.3Å
143	G	97.5	Very high	95.8	Very high	13 Å²	13	45.4 Å²	45.4	13%	0.134	24%	0.244	C	C	.	.	S	Bend	trans	-129	175.7	174.8	0	0	0	0	0	111.3	N118 S160	N118-G143 VanDerWaalsContact CB-O 3.25Å; N118-G143 WeakPolarHBondContact CB-O 3.36Å; N118-G143 PolarHBondContact OD1-O 3.04Å; G143-S160 PolarHBondContact O-OG 3.32Å
144	Y	98.1	Very high	96.2	Very high	52 Å²	52	40.7 Å²	40.7	20%	0.204	23%	0.234	C	C	.	.			trans	-63.3	145.7	-176.9	59.6	-98.8	0	0	0	111.6	M100 G115 L116 N118 S146 S160 G161 D185 M187	M100-Y144 HydrophobicContact CE-CD2 3.65Å; M100-Y144 HydrophobicContact CE-CE2 3.71Å; M100-Y144 HydrophobicContact CE-CG 4.5Å; M100-Y144 HydrophobicContact SD-CD2 3.6Å; M100-Y144 HydrophobicContact SD-CE2 4.29Å; M100-Y144 HydrophobicContact SD-CG 4.03Å; G115-Y144 CarbonylContact O-C 3.51Å; G115-Y144 WeakPolarHBondContact O-CA 3.32Å; L116-Y144 HydrophobicContact CD2-CD1 4.39Å; L116-Y144 HydrophobicContact CD2-CG 4.14Å; N118-Y144 WeakPolarHBondContact OD1-CA 3.49Å; N118-Y144 PolarHBondContact OD1-N 2.87Å; Y144-S146 PolarHBondContact O-N 3.46Å; Y144-S160 CarbonylContact O-C 3.51Å; Y144-S160 VanDerWaalsContact O-CA 3.22Å; Y144-S160 WeakPolarHBondContact O-CA 3.29Å; Y144-S160 PolarHBondContact O-OG 3.2Å; Y144-G161 PolarHBondContact O-N 3.44Å; Y144-D185 WeakPolarHBondContact CE1-OD2 3.4Å; Y144-D185 WeakPolarHBondContact OH-CB 3.34Å; Y144-D185 PolarHBondContact OH-OD2 3.31Å; Y144-M187 HydrophobicContact CE2-SD 4.39Å; Y144-M187 PolarHBondContact OH-SD 3.32Å; Y144-M187 VanDerWaalsContact OH-SD 3.41Å
145	L	98.5	Very high	96.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	112.6	175.6	-160	78.8	0	0	0	110.1	M100 T101 G115 C120 C148 T158	M100-L145 WeakPolarHBondContact CB-O 3.33Å; T101-L145 HydrophobicContact CG2-CD2 3.74Å; T101-L145 HydrophobicContact CG2-CG 4.11Å; G115-L145 PolarHBondContact O-N 2.92Å; C120-L145 HydrophobicContact CB-CD1 4.42Å; C120-L145 HydrophobicContact CB-CD2 3.59Å; L145-C148 HydrophobicContact CD2-CB 4.46Å; L145-T158 HydrophobicContact CD1-CG2 3.85Å
146	S	98.4	Very high	96.9	Very high	11 Å²	11	38.5 Å²	38.5	8%	0.077	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-38.5	-175.1	61.1	0	0	0	0	113.4	T101 Y144 S159 V186 M187	T101-S146 WeakPolarHBondContact CB-O 3.5Å; Y144-S146 PolarHBondContact O-N 3.46Å; S146-S159 PolarHBondContact N-O 2.84Å; S146-S159 VanDerWaalsContact OG-C 3.27Å; S146-S159 WeakPolarHBondContact OG-CB 3.31Å; S146-S159 PolarHBondContact OG-O 3.46Å; S146-S159 VanDerWaalsContact OG-O 3.08Å; S146-S159 PolarHBondContact OG-OG 2.6Å; S146-V186 WeakPolarHBondContact CB-O 3.2Å; S146-V186 PolarHBondContact OG-O 2.98Å; S146-M187 WeakPolarHBondContact CB-O 3.03Å
147	C	98.7	Very high	97.1	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.1	178.9	-166.2	0	0	0	0	111.1	T101 R149 T158 S159 L189	T101-C147 WeakPolarHBondContact OG1-CA 3.33Å; C147-R149 PolarHBondContact SG-NH1 3.06Å; C147-R149 VanDerWaalsContact SG-NH1 3.42Å; C147-T158 WeakPolarHBondContact O-CA 3.09Å; C147-S159 VanDerWaalsContact CB-OG 3.23Å; C147-S159 WeakPolarHBondContact CB-OG 3.13Å; C147-S159 PolarHBondContact N-OG 3.36Å; C147-S159 PolarHBondContact O-N 3.27Å; C147-L189 HydrophobicContact CB-CG 4.25Å
148	C	98.7	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144.4	173.8	63	0	0	0	0	111	T101 A103 L145 I156 V157 T158	T101-C148 HydrophobicContact CG2-CB 4.34Å; T101-C148 PolarHBondContact OG1-N 2.91Å; T101-C148 PolarHBondContact OG1-SG 2.75Å; T101-C148 VanDerWaalsContact OG1-SG 3.33Å; A103-C148 WeakPolarHBondContact CB-O 3.15Å; L145-C148 HydrophobicContact CD2-CB 4.46Å; C148-I156 HydrophobicContact CB-CD1 4.01Å; C148-I156 HydrophobicContact CB-CG1 4.44Å; C148-V157 CarbonylContact C-O 3.51Å; C148-V157 VanDerWaalsContact CA-O 3.23Å; C148-V157 WeakPolarHBondContact CA-O 3.43Å; C148-T158 HydrophobicContact CB-CG2 4.1Å
149	R	98.8	Very high	97.3	Very high	58 Å²	58	30.9 Å²	30.9	22%	0.219	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	131.2	174.9	-67	-65.4	-178.9	-89.8	-1.6	110.9	C147 I156 V157 L189 L191	C147-R149 PolarHBondContact SG-NH1 3.06Å; C147-R149 VanDerWaalsContact SG-NH1 3.42Å; R149-I156 VanDerWaalsContact O-CG1 3.31Å; R149-I156 WeakPolarHBondContact O-CG1 3.46Å; R149-V157 PolarHBondContact N-O 3.09Å; R149-V157 PolarHBondContact O-N 3.49Å; R149-L189 HydrophobicContact CB-CD1 3.85Å; R149-L189 HydrophobicContact CG-CD1 3.61Å; R149-L191 HydrophobicContact CB-CD1 3.58Å; R149-L191 HydrophobicContact CB-CG 3.83Å; R149-L191 HydrophobicContact CG-CG 4.5Å
150	F	98.7	Very high	97.6	Very high	8 Å²	8	27 Å²	27	4%	0.035	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.2	174.7	-69.9	-86.5	0	0	0	110.2	A103 A105 A112 I122 D152 I156 I170 L191	A103-F150 HydrophobicContact CB-CD2 3.83Å; A103-F150 HydrophobicContact CB-CE2 3.93Å; A105-F150 HydrophobicContact CB-CB 4.28Å; A105-F150 HydrophobicContact CB-CD1 4.08Å; A105-F150 HydrophobicContact CB-CD2 3.83Å; A105-F150 HydrophobicContact CB-CE1 4.31Å; A105-F150 HydrophobicContact CB-CE2 4.08Å; A105-F150 HydrophobicContact CB-CG 3.82Å; A105-F150 HydrophobicContact CB-CZ 4.3Å; A112-F150 HydrophobicContact CB-CE2 3.55Å; A112-F150 HydrophobicContact CB-CZ 3.53Å; I122-F150 HydrophobicContact CD1-CE1 4.44Å; I122-F150 HydrophobicContact CG1-CZ 4.47Å; I122-F150 HydrophobicContact CG2-CE1 4.37Å; I122-F150 HydrophobicContact CG2-CZ 4.28Å; F150-D152 WeakPolarHBondContact CD1-O 3.35Å; F150-I156 HydrophobicContact CD1-CB 4.11Å; F150-I156 HydrophobicContact CD1-CD1 4.09Å; F150-I156 HydrophobicContact CD1-CG1 4.23Å; F150-I156 HydrophobicContact CD2-CD1 4.24Å; F150-I156 HydrophobicContact CE1-CB 4.47Å; F150-I156 HydrophobicContact CE1-CD1 3.96Å; F150-I156 HydrophobicContact CE2-CD1 4.12Å; F150-I156 HydrophobicContact CG-CD1 4.24Å; F150-I156 HydrophobicContact CG-CG1 4.34Å; F150-I156 HydrophobicContact CZ-CD1 3.99Å; F150-I170 HydrophobicContact CD1-CD1 3.84Å; F150-I170 HydrophobicContact CE1-CD1 3.69Å; F150-L191 VanDerWaalsContact O-CD1 3.24Å; F150-L191 WeakPolarHBondContact O-CD1 3.44Å
151	L	98.4	Very high	98.3	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.068	14%	0.14	C	C	.	.	S	Bend	trans	-80.2	-45.7	161.7	-66	169.7	0	0	0	109.1	Q155 V157 L167 L191 L195 I212	L151-Q155 HydrophobicContact CB-CB 4.16Å; L151-Q155 HydrophobicContact CD1-CB 4.03Å; L151-Q155 PolarHBondContact N-O 2.89Å; L151-V157 HydrophobicContact CD1-CG2 4.1Å; L151-V157 HydrophobicContact CG-CG2 4.18Å; L151-L167 HydrophobicContact CD1-CD1 3.59Å; L151-L191 HydrophobicContact CD2-CD1 3.82Å; L151-L191 HydrophobicContact CD2-CD2 3.71Å; L151-L191 HydrophobicContact CD2-CG 4.35Å; L151-L191 HydrophobicContact CG-CD1 4.47Å; L151-L195 HydrophobicContact CD2-CB 3.99Å; L151-L195 HydrophobicContact CD2-CD2 4.19Å; L151-L195 WeakPolarHBondContact O-CD1 3.29Å; L151-I212 HydrophobicContact CD1-CD1 4.28Å; L151-I212 HydrophobicContact CD1-CG2 4.11Å; L151-I212 HydrophobicContact CD2-CD1 3.69Å
152	D	98.1	Very high	98.4	Very high	66 Å²	66	26 Å²	26	35%	0.353	14%	0.144	S	C	.	.	S	Bend	trans	-156.1	-164	175.5	57.8	40.6	0	0	0	109.7	F150 S154 Q155	F150-D152 WeakPolarHBondContact CD1-O 3.35Å; D152-S154 PolarHBondContact O-N 3.34Å; D152-S154 VanDerWaalsContact OD1-CA 3.29Å; D152-S154 WeakPolarHBondContact OD1-CA 3.25Å; D152-S154 WeakPolarHBondContact OD1-CB 3.31Å; D152-S154 PolarHBondContact OD1-N 2.88Å; D152-S154 PolarHBondContact OD1-OG 3.42Å; D152-Q155 PolarHBondContact N-O 2.75Å; D152-Q155 PolarHBondContact OD1-N 2.94Å
153	D	97.6	Very high	98.4	Very high	51 Å²	51	22.2 Å²	22.2	27%	0.273	12%	0.121	S	C	.	.	S	Bend	trans	-72.7	-13.5	179.3	-78	0.6	0	0	0	114	S107 N109 Y110 I170	S107-D153 WeakPolarHBondContact CB-OD1 3.35Å; S107-D153 WeakPolarHBondContact CB-OD2 3.48Å; S107-D153 PolarHBondContact OG-OD1 3.19Å; S107-D153 PolarHBondContact OG-OD2 3.06Å; S107-D153 VanDerWaalsContact OG-OD2 3.09Å; N109-D153 PolarHBondContact ND2-OD2 3.38Å; Y110-D153 HydrophobicContact CD2-CB 4.09Å; Y110-D153 HydrophobicContact CE2-CB 3.82Å; D153-I170 WeakPolarHBondContact O-CD1 3.48Å
154	S	97.9	Very high	98.5	Very high	50 Å²	50	22.9 Å²	22.9	35%	0.35	12%	0.122	S	C	.	.	S	Bend	trans	-105.2	-23.2	-177.8	72.6	0	0	0	0	113.4	D152 I170	D152-S154 PolarHBondContact O-N 3.34Å; D152-S154 VanDerWaalsContact OD1-CA 3.29Å; D152-S154 WeakPolarHBondContact OD1-CA 3.25Å; D152-S154 WeakPolarHBondContact OD1-CB 3.31Å; D152-S154 PolarHBondContact OD1-N 2.88Å; D152-S154 PolarHBondContact OD1-OG 3.42Å; S154-I170 WeakPolarHBondContact O-CB 3.35Å; S154-I170 WeakPolarHBondContact O-CG1 3.21Å; S154-I170 PolarHBondContact O-N 3.48Å
155	Q	98.3	Very high	98.5	Very high	56 Å²	56	20.4 Å²	20.4	26%	0.262	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.6	-176	-66.6	-172.5	-25.1	0	0	114	L151 D152 L167 W168	L151-Q155 HydrophobicContact CB-CB 4.16Å; L151-Q155 HydrophobicContact CD1-CB 4.03Å; L151-Q155 PolarHBondContact N-O 2.89Å; D152-Q155 PolarHBondContact N-O 2.75Å; D152-Q155 PolarHBondContact OD1-N 2.94Å; Q155-L167 HydrophobicContact CB-CD1 4.28Å; Q155-W168 VanDerWaalsContact CA-O 3.3Å; Q155-W168 WeakPolarHBondContact CA-O 3.48Å
156	I	98.7	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.3	175.7	-168.5	170.5	0	0	0	110.3	A112 I122 L138 C148 R149 F150 W168 I170	A112-I156 HydrophobicContact CB-CD1 3.65Å; I122-I156 HydrophobicContact CD1-CG2 4.37Å; L138-I156 HydrophobicContact CD1-CG2 3.57Å; C148-I156 HydrophobicContact CB-CD1 4.01Å; C148-I156 HydrophobicContact CB-CG1 4.44Å; R149-I156 VanDerWaalsContact O-CG1 3.31Å; R149-I156 WeakPolarHBondContact O-CG1 3.46Å; F150-I156 HydrophobicContact CD1-CB 4.11Å; F150-I156 HydrophobicContact CD1-CD1 4.09Å; F150-I156 HydrophobicContact CD1-CG1 4.23Å; F150-I156 HydrophobicContact CD2-CD1 4.24Å; F150-I156 HydrophobicContact CE1-CB 4.47Å; F150-I156 HydrophobicContact CE1-CD1 3.96Å; F150-I156 HydrophobicContact CE2-CD1 4.12Å; F150-I156 HydrophobicContact CG-CD1 4.24Å; F150-I156 HydrophobicContact CG-CG1 4.34Å; F150-I156 HydrophobicContact CZ-CD1 3.99Å; I156-W168 HydrophobicContact CG2-CB 3.84Å; I156-W168 HydrophobicContact CG2-CG 4.31Å; I156-W168 PolarHBondContact N-O 3.41Å; I156-W168 PolarHBondContact O-N 2.79Å; I156-I170 HydrophobicContact CB-CD1 4.21Å; I156-I170 HydrophobicContact CG2-CD1 4.26Å; I156-I170 HydrophobicContact CG2-CG1 4.05Å
157	V	98.7	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.4	171.6	-174.1	0	0	0	0	109.1	C148 R149 L151 G166 L167 L189 L191 F198	C148-V157 CarbonylContact C-O 3.51Å; C148-V157 VanDerWaalsContact CA-O 3.23Å; C148-V157 WeakPolarHBondContact CA-O 3.43Å; R149-V157 PolarHBondContact N-O 3.09Å; R149-V157 PolarHBondContact O-N 3.49Å; L151-V157 HydrophobicContact CD1-CG2 4.1Å; L151-V157 HydrophobicContact CG-CG2 4.18Å; V157-G166 CarbonylContact C-O 3.59Å; V157-G166 VanDerWaalsContact CA-O 3.26Å; V157-G166 WeakPolarHBondContact CA-O 3.4Å; V157-L167 HydrophobicContact CG2-CD1 3.88Å; V157-L189 HydrophobicContact CG1-CD2 3.89Å; V157-L191 HydrophobicContact CB-CD2 4.38Å; V157-L191 HydrophobicContact CG2-CD2 4.03Å; V157-F198 HydrophobicContact CG1-CD1 4.38Å; V157-F198 HydrophobicContact CG1-CE1 4.24Å; V157-F198 HydrophobicContact CG1-CE2 4.37Å; V157-F198 HydrophobicContact CG1-CZ 4.24Å
158	T	98.8	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.5	178.1	57.9	0	0	0	0	111.6	C120 H141 L145 C147 C148 C165 G166 W168 L189	C120-T158 HydrophobicContact CB-CG2 4.11Å; H141-T158 PolarHBondContact NE2-OG1 3.41Å; L145-T158 HydrophobicContact CD1-CG2 3.85Å; C147-T158 WeakPolarHBondContact O-CA 3.09Å; C148-T158 HydrophobicContact CB-CG2 4.1Å; T158-C165 CarbonylContact O-C 3.55Å; T158-C165 WeakPolarHBondContact O-CA 3.36Å; T158-C165 WeakPolarHBondContact O-CB 3.45Å; T158-G166 PolarHBondContact N-O 2.79Å; T158-G166 PolarHBondContact O-N 2.89Å; T158-G166 PolarHBondContact OG1-O 3.31Å; T158-W168 PolarHBondContact OG1-NE1 2.85Å; T158-L189 VanDerWaalsContact C-CD2 3.46Å
159	S	98.7	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.6	165.5	56.2	0	0	0	0	110.3	S146 C147	S146-S159 PolarHBondContact N-O 2.84Å; S146-S159 VanDerWaalsContact OG-C 3.27Å; S146-S159 WeakPolarHBondContact OG-CB 3.31Å; S146-S159 PolarHBondContact OG-O 3.46Å; S146-S159 VanDerWaalsContact OG-O 3.08Å; S146-S159 PolarHBondContact OG-OG 2.6Å; C147-S159 VanDerWaalsContact CB-OG 3.23Å; C147-S159 WeakPolarHBondContact CB-OG 3.13Å; C147-S159 PolarHBondContact N-OG 3.36Å; C147-S159 PolarHBondContact O-N 3.27Å
160	S	98.7	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.7	-171.6	174.9	0	0	0	0	113.2	H141 G143 Y144 D162 V163 T164 V186	H141-S160 VanDerWaalsContact CE1-CB 3.46Å; H141-S160 WeakPolarHBondContact CE1-CB 3.34Å; H141-S160 VanDerWaalsContact CG-CB 3.46Å; H141-S160 WeakPolarHBondContact ND1-CB 3.41Å; H141-S160 PolarHBondContact ND1-OG 3.1Å; G143-S160 PolarHBondContact O-OG 3.32Å; Y144-S160 CarbonylContact O-C 3.51Å; Y144-S160 VanDerWaalsContact O-CA 3.22Å; Y144-S160 WeakPolarHBondContact O-CA 3.29Å; Y144-S160 PolarHBondContact O-OG 3.2Å; S160-D162 VanDerWaalsContact CB-OD1 3.24Å; S160-D162 WeakPolarHBondContact CB-OD1 3.25Å; S160-D162 PolarHBondContact O-N 3.2Å; S160-D162 PolarHBondContact OG-N 3.41Å; S160-D162 VanDerWaalsContact OG-N 3.1Å; S160-D162 PolarHBondContact OG-OD1 3.29Å; S160-D162 PolarHBondContact OG-OD2 2.84Å; S160-V163 PolarHBondContact O-N 2.96Å; S160-T164 PolarHBondContact N-O 2.81Å; S160-V186 PolarHBondContact O-N 2.87Å; S160-V186 VanDerWaalsContact O-N 3.17Å
161	G	98.4	Very high	98.3	Very high	11 Å²	11	26.3 Å²	26.3	11%	0.113	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-5.1	167.8	0	0	0	0	0	114	Y144 V163	Y144-G161 PolarHBondContact O-N 3.44Å; G161-V163 PolarHBondContact O-N 3.14Å
162	D	98.3	Very high	98.1	Very high	32 Å²	32	29.4 Å²	29.4	17%	0.171	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	14.2	168.4	64.2	26.4	0	0	0	114.1	H141 T142 S160 T164	H141-D162 VanDerWaalsContact CA-OD2 3.25Å; H141-D162 WeakPolarHBondContact CA-OD2 3.22Å; H141-D162 WeakPolarHBondContact CB-OD2 3.13Å; H141-D162 IonicContact CG-OD2 3.89Å; H141-D162 IonicContact ND1-OD1 3.38Å; H141-D162 PolarHBondContact ND1-OD1 3.27Å; H141-D162 IonicContact ND1-OD2 3.25Å; H141-D162 PolarHBondContact ND1-OD2 2.9Å; T142-D162 PolarHBondContact N-OD2 2.87Å; T142-D162 VanDerWaalsContact OG1-CB 3.25Å; T142-D162 WeakPolarHBondContact OG1-CB 3.3Å; S160-D162 VanDerWaalsContact CB-OD1 3.24Å; S160-D162 WeakPolarHBondContact CB-OD1 3.25Å; S160-D162 PolarHBondContact O-N 3.2Å; S160-D162 PolarHBondContact OG-N 3.41Å; S160-D162 VanDerWaalsContact OG-N 3.1Å; S160-D162 PolarHBondContact OG-OD1 3.29Å; S160-D162 PolarHBondContact OG-OD2 2.84Å; D162-T164 PolarHBondContact O-N 3.25Å; D162-T164 WeakPolarHBondContact OD1-CB 3.24Å; D162-T164 PolarHBondContact OD1-N 3.34Å; D162-T164 PolarHBondContact OD1-OG1 2.91Å
163	V	98.6	Very high	98	Very high	39 Å²	39	26.8 Å²	26.8	24%	0.236	15%	0.151	C	C	.	.	S	Bend	trans	72.5	11.2	176.2	-167.6	0	0	0	0	113.1	S160 G161 H182 G184	S160-V163 PolarHBondContact O-N 2.96Å; G161-V163 PolarHBondContact O-N 3.14Å; V163-H182 HydrophobicContact CG1-CB 3.72Å; V163-H182 WeakPolarHBondContact CG1-O 3.47Å; V163-G184 WeakPolarHBondContact CG1-O 3.17Å
164	T	98.5	Very high	98	Very high	26 Å²	26	30.5 Å²	30.5	16%	0.16	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	158.5	179	75.3	0	0	0	0	113.5	H141 S160 D162 T178 T180	H141-T164 PolarHBondContact CE1-OG1 2.85Å; H141-T164 PolarHBondContact ND1-OG1 2.98Å; S160-T164 PolarHBondContact N-O 2.81Å; D162-T164 PolarHBondContact O-N 3.25Å; D162-T164 WeakPolarHBondContact OD1-CB 3.24Å; D162-T164 PolarHBondContact OD1-N 3.34Å; D162-T164 PolarHBondContact OD1-OG1 2.91Å; T164-T178 HydrophobicContact CG2-CG2 4.28Å; T164-T180 HydrophobicContact CG2-CG2 4.16Å
165	C	98.7	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	154.3	159.2	-57.2	0	0	0	0	109.8	T158 F179 F198	T158-C165 CarbonylContact O-C 3.55Å; T158-C165 WeakPolarHBondContact O-CA 3.36Å; T158-C165 WeakPolarHBondContact O-CB 3.45Å; C165-F179 HydrophobicContact CB-CB 4.02Å; C165-F179 HydrophobicContact CB-CD2 3.97Å; C165-F179 HydrophobicContact CB-CG 4.39Å; C165-F179 PolarHBondContact N-O 2.89Å; C165-F179 VanDerWaalsContact N-O 3.17Å; C165-F179 PolarHBondContact O-N 2.92Å; C165-F198 HydrophobicContact CB-CE2 4.08Å; C165-F198 HydrophobicContact CB-CZ 3.99Å
166	G	98.3	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.7	177.8	0	0	0	0	0	112.5	V157 T158 A177	V157-G166 CarbonylContact C-O 3.59Å; V157-G166 VanDerWaalsContact CA-O 3.26Å; V157-G166 WeakPolarHBondContact CA-O 3.4Å; T158-G166 PolarHBondContact N-O 2.79Å; T158-G166 PolarHBondContact O-N 2.89Å; T158-G166 PolarHBondContact OG1-O 3.31Å; G166-A177 WeakPolarHBondContact CA-O 3.46Å
167	L	98.6	Very high	97.8	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.3	163.5	174.9	67.8	0	0	0	108.1	L151 Q155 V157 Q175 V176 A177 F179 I212	L151-L167 HydrophobicContact CD1-CD1 3.59Å; Q155-L167 HydrophobicContact CB-CD1 4.28Å; V157-L167 HydrophobicContact CG2-CD1 3.88Å; L167-Q175 CarbonylContact O-C 3.53Å; L167-V176 HydrophobicContact CD2-CB 4.15Å; L167-V176 HydrophobicContact CD2-CG1 4.09Å; L167-V176 HydrophobicContact CG-CB 4.17Å; L167-V176 PolarHBondContact O-N 3.15Å; L167-A177 HydrophobicContact CB-CB 4.07Å; L167-A177 HydrophobicContact CD2-CB 4.43Å; L167-A177 PolarHBondContact N-O 3.3Å; L167-A177 PolarHBondContact O-N 3.24Å; L167-F179 HydrophobicContact CB-CE2 3.85Å; L167-F179 HydrophobicContact CB-CZ 4.24Å; L167-I212 HydrophobicContact CD1-CG2 4.42Å; L167-I212 HydrophobicContact CD2-CG2 3.96Å
168	W	98.4	Very high	97.8	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.9	-174.6	-55.5	81.4	0	0	0	111.5	L138 H141 Q155 I156 T158 Q174 Q175	L138-W168 HydrophobicContact CB-CD2 4.2Å; L138-W168 HydrophobicContact CB-CE3 3.91Å; L138-W168 HydrophobicContact CB-CZ3 4.2Å; L138-W168 HydrophobicContact CD1-CB 3.73Å; L138-W168 HydrophobicContact CD1-CD2 4.14Å; L138-W168 HydrophobicContact CD1-CE3 4.42Å; L138-W168 HydrophobicContact CD1-CG 3.83Å; L138-W168 HydrophobicContact CD2-CE3 4.32Å; L138-W168 HydrophobicContact CG-CE3 4.45Å; H141-W168 AromaticContact CD2-CZ2 3.9Å; Q155-W168 VanDerWaalsContact CA-O 3.3Å; Q155-W168 WeakPolarHBondContact CA-O 3.48Å; I156-W168 HydrophobicContact CG2-CB 3.84Å; I156-W168 HydrophobicContact CG2-CG 4.31Å; I156-W168 PolarHBondContact N-O 3.41Å; I156-W168 PolarHBondContact O-N 2.79Å; T158-W168 PolarHBondContact OG1-NE1 2.85Å; W168-Q174 WeakPolarHBondContact CA-O 3.37Å; W168-Q175 HydrophobicContact CD2-CB 4.26Å; W168-Q175 HydrophobicContact CD2-CG 4.37Å; W168-Q175 HydrophobicContact CE3-CB 3.86Å; W168-Q175 HydrophobicContact CE3-CG 4.45Å; W168-Q175 HydrophobicContact CH2-CB 4.06Å; W168-Q175 HydrophobicContact CH2-CG 4.38Å; W168-Q175 HydrophobicContact CZ2-CB 4.43Å; W168-Q175 HydrophobicContact CZ2-CG 4.29Å; W168-Q175 HydrophobicContact CZ3-CB 3.77Å; W168-Q175 HydrophobicContact CZ3-CG 4.47Å
169	D	97.9	Very high	97.8	Very high	39 Å²	39	36.8 Å²	36.8	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.6	164.1	178	-66.3	0	0	0	108.1	E171 T172 G173 Q174 V176	D169-E171 VanDerWaalsContact C-N 3.35Å; D169-E171 PolarHBondContact OD1-N 2.86Å; D169-E171 VanDerWaalsContact OD1-N 3.12Å; D169-T172 WeakPolarHBondContact CB-OG1 3.33Å; D169-T172 VanDerWaalsContact CG-OG1 3.26Å; D169-T172 WeakPolarHBondContact OD1-CB 3.18Å; D169-T172 WeakPolarHBondContact OD1-CG2 3.47Å; D169-T172 PolarHBondContact OD1-N 2.76Å; D169-T172 PolarHBondContact OD1-OG1 3.36Å; D169-G173 VanDerWaalsContact O-CA 3.29Å; D169-G173 WeakPolarHBondContact O-CA 3.47Å; D169-G173 PolarHBondContact O-N 2.88Å; D169-Q174 PolarHBondContact N-O 2.82Å; D169-Q174 PolarHBondContact O-N 3.26Å; D169-V176 HydrophobicContact CB-CG2 3.58Å
170	I	97.6	Very high	97.7	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.046	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-32.2	-172.5	-63.2	172.1	0	0	0	111.3	I122 R136 F150 D153 S154 I156	I122-I170 HydrophobicContact CD1-CB 4.1Å; I122-I170 HydrophobicContact CD1-CD1 3.79Å; I122-I170 HydrophobicContact CD1-CG1 3.53Å; I122-I170 HydrophobicContact CD1-CG2 3.58Å; I122-I170 HydrophobicContact CG2-CG2 4.47Å; R136-I170 HydrophobicContact CB-CG2 4.45Å; R136-I170 WeakPolarHBondContact CG-O 3.4Å; R136-I170 PolarHBondContact NE-O 2.8Å; F150-I170 HydrophobicContact CD1-CD1 3.84Å; F150-I170 HydrophobicContact CE1-CD1 3.69Å; D153-I170 WeakPolarHBondContact O-CD1 3.48Å; S154-I170 WeakPolarHBondContact O-CB 3.35Å; S154-I170 WeakPolarHBondContact O-CG1 3.21Å; S154-I170 PolarHBondContact O-N 3.48Å; I156-I170 HydrophobicContact CB-CD1 4.21Å; I156-I170 HydrophobicContact CG2-CD1 4.26Å; I156-I170 HydrophobicContact CG2-CG1 4.05Å
171	E	96	Very high	97.6	Very high	150 Å²	150	43.4 Å²	43.4	70%	0.701	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-49	-178.2	-177	173.3	-179.9	0	0	110.7	R136 D169	R136-E171 VanDerWaalsContact CZ-O 3.23Å; R136-E171 PolarHBondContact NH2-O 2.91Å; D169-E171 VanDerWaalsContact C-N 3.35Å; D169-E171 PolarHBondContact OD1-N 2.86Å; D169-E171 VanDerWaalsContact OD1-N 3.12Å
172	T	96.2	Very high	97.6	Very high	78 Å²	78	43.5 Å²	43.5	48%	0.479	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-23.2	179.4	62.8	0	0	0	0	112.8	D169 Q174	D169-T172 WeakPolarHBondContact CB-OG1 3.33Å; D169-T172 VanDerWaalsContact CG-OG1 3.26Å; D169-T172 WeakPolarHBondContact OD1-CB 3.18Å; D169-T172 WeakPolarHBondContact OD1-CG2 3.47Å; D169-T172 PolarHBondContact OD1-N 2.76Å; D169-T172 PolarHBondContact OD1-OG1 3.36Å; T172-Q174 PolarHBondContact O-N 3.31Å; T172-Q174 PolarHBondContact OG1-N 3.44Å
173	G	96	Very high	97.6	Very high	11 Å²	11	47.8 Å²	47.8	11%	0.113	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	17.5	-173.1	0	0	0	0	0	113.6	D169	D169-G173 VanDerWaalsContact O-CA 3.29Å; D169-G173 WeakPolarHBondContact O-CA 3.47Å; D169-G173 PolarHBondContact O-N 2.88Å
174	Q	96.6	Very high	97.6	Very high	128 Å²	128	46.5 Å²	46.5	60%	0.598	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	149.4	-176.9	-62.8	-62.5	-46.8	0	0	111.5	W168 D169 T172 V176	W168-Q174 WeakPolarHBondContact CA-O 3.37Å; D169-Q174 PolarHBondContact N-O 2.82Å; D169-Q174 PolarHBondContact O-N 3.26Å; T172-Q174 PolarHBondContact O-N 3.31Å; T172-Q174 PolarHBondContact OG1-N 3.44Å; Q174-V176 PolarHBondContact O-N 2.78Å
175	Q	96.8	Very high	97.6	Very high	64 Å²	64	48 Å²	48	30%	0.299	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.2	170	-167.4	175.1	11.1	0	0	109.5	L167 W168 A177 T178	L167-Q175 CarbonylContact O-C 3.53Å; W168-Q175 HydrophobicContact CD2-CB 4.26Å; W168-Q175 HydrophobicContact CD2-CG 4.37Å; W168-Q175 HydrophobicContact CE3-CB 3.86Å; W168-Q175 HydrophobicContact CE3-CG 4.45Å; W168-Q175 HydrophobicContact CH2-CB 4.06Å; W168-Q175 HydrophobicContact CH2-CG 4.38Å; W168-Q175 HydrophobicContact CZ2-CB 4.43Å; W168-Q175 HydrophobicContact CZ2-CG 4.29Å; W168-Q175 HydrophobicContact CZ3-CB 3.77Å; W168-Q175 HydrophobicContact CZ3-CG 4.47Å; Q175-A177 WeakPolarHBondContact CG-O 3.48Å; Q175-A177 PolarHBondContact NE2-O 3.42Å; Q175-T178 PolarHBondContact NE2-OG1 2.82Å
176	V	96.7	Very high	97.6	Very high	82 Å²	82	48 Å²	48	50%	0.497	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-39.6	180	178.9	0	0	0	0	111.1	L167 D169 Q174	L167-V176 HydrophobicContact CD2-CB 4.15Å; L167-V176 HydrophobicContact CD2-CG1 4.09Å; L167-V176 HydrophobicContact CG-CB 4.17Å; L167-V176 PolarHBondContact O-N 3.15Å; D169-V176 HydrophobicContact CB-CG2 3.58Å; Q174-V176 PolarHBondContact O-N 2.78Å
177	A	97.4	Very high	97.6	Very high	23 Å²	23	50.1 Å²	50.1	19%	0.19	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	149.6	178.4	0	0	0	0	0	111.3	G166 L167 Q175 F179	G166-A177 WeakPolarHBondContact CA-O 3.46Å; L167-A177 HydrophobicContact CB-CB 4.07Å; L167-A177 HydrophobicContact CD2-CB 4.43Å; L167-A177 PolarHBondContact N-O 3.3Å; L167-A177 PolarHBondContact O-N 3.24Å; Q175-A177 WeakPolarHBondContact CG-O 3.48Å; Q175-A177 PolarHBondContact NE2-O 3.42Å; A177-F179 HydrophobicContact CB-CE2 4.36Å; A177-F179 HydrophobicContact CB-CZ 4.23Å
178	T	97.7	Very high	97.6	Very high	69 Å²	69	50.5 Å²	50.5	42%	0.423	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.6	171.6	-52	0	0	0	0	108.5	T164 Q175 T180	T164-T178 HydrophobicContact CG2-CG2 4.28Å; Q175-T178 PolarHBondContact NE2-OG1 2.82Å; T178-T180 HydrophobicContact CG2-CG2 3.83Å
179	F	98.5	Very high	97.7	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	102.1	178.1	-54	-89	0	0	0	108.6	C165 L167 A177 F198 W210	C165-F179 HydrophobicContact CB-CB 4.02Å; C165-F179 HydrophobicContact CB-CD2 3.97Å; C165-F179 HydrophobicContact CB-CG 4.39Å; C165-F179 PolarHBondContact N-O 2.89Å; C165-F179 VanDerWaalsContact N-O 3.17Å; C165-F179 PolarHBondContact O-N 2.92Å; L167-F179 HydrophobicContact CB-CE2 3.85Å; L167-F179 HydrophobicContact CB-CZ 4.24Å; A177-F179 HydrophobicContact CB-CE2 4.36Å; A177-F179 HydrophobicContact CB-CZ 4.23Å; F179-F198 HydrophobicContact CB-CZ 4.23Å; F179-F198 AromaticContact CD1-CE1 3.87Å; F179-F198 HydrophobicContact CD1-CE1 3.87Å; F179-F198 AromaticContact CD1-CZ 3.94Å; F179-F198 HydrophobicContact CD1-CZ 3.94Å; F179-F198 AromaticContact CD2-CE1 3.92Å; F179-F198 HydrophobicContact CD2-CE1 3.92Å; F179-F198 AromaticContact CD2-CZ 3.68Å; F179-F198 HydrophobicContact CD2-CZ 3.68Å; F179-F198 AromaticContact CE1-CE1 3.65Å; F179-F198 HydrophobicContact CE1-CE1 3.65Å; F179-F198 HydrophobicContact CE1-CZ 4.18Å; F179-F198 AromaticContact CE2-CE1 3.72Å; F179-F198 HydrophobicContact CE2-CE1 3.72Å; F179-F198 AromaticContact CE2-CZ 3.96Å; F179-F198 HydrophobicContact CE2-CZ 3.96Å; F179-F198 HydrophobicContact CG-CE1 4.01Å; F179-F198 AromaticContact CG-CZ 3.68Å; F179-F198 HydrophobicContact CG-CZ 3.68Å; F179-F198 AromaticContact CZ-CE1 3.6Å; F179-F198 HydrophobicContact CZ-CE1 3.6Å; F179-F198 HydrophobicContact CZ-CZ 4.22Å; F179-W210 HydrophobicContact CB-CD2 4.04Å; F179-W210 HydrophobicContact CB-CE3 3.73Å; F179-W210 HydrophobicContact CB-CH2 4.29Å; F179-W210 HydrophobicContact CB-CZ3 3.85Å; F179-W210 HydrophobicContact CD1-CB 4.07Å; F179-W210 HydrophobicContact CD1-CD2 4.25Å; F179-W210 AromaticContact CD1-CE3 3.89Å; F179-W210 HydrophobicContact CD1-CE3 3.89Å; F179-W210 HydrophobicContact CD1-CG 4.35Å; F179-W210 HydrophobicContact CE1-CB 4.36Å; F179-W210 HydrophobicContact CG-CD2 4.48Å; F179-W210 HydrophobicContact CG-CE3 4.26Å
180	T	97.9	Very high	97.7	Very high	99 Å²	99	49 Å²	49	61%	0.607	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.1	-179.5	58	0	0	0	0	110.5	T164 T178	T164-T180 HydrophobicContact CG2-CG2 4.16Å; T178-T180 HydrophobicContact CG2-CG2 3.83Å
181	G	97.1	Very high	97.8	Very high	39 Å²	39	49.7 Å²	49.7	40%	0.402	29%	0.289	S	S	.	.			trans	157.7	-11.8	173	0	0	0	0	0	115.7	K208	G181-K208 WeakPolarHBondContact O-CE 3.38Å; G181-K208 PolarHBondContact O-NZ 3.36Å
182	H	98.5	Very high	97.9	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.06	26%	0.257	C	S	.	.			trans	-69.3	163.9	163.3	-81.2	-66.7	0	0	0	110.8	V163 V186 S200 A202 D204 S206 W210	V163-H182 HydrophobicContact CG1-CB 3.72Å; V163-H182 WeakPolarHBondContact CG1-O 3.47Å; H182-V186 HydrophobicContact CB-CG2 4.07Å; H182-S200 PolarHBondContact NE2-OG 3.34Å; H182-A202 HydrophobicContact CB-CB 4.34Å; H182-A202 VanDerWaalsContact ND1-CB 3.32Å; H182-A202 WeakPolarHBondContact ND1-CB 3.28Å; H182-D204 VanDerWaalsContact CA-OD2 3.31Å; H182-D204 WeakPolarHBondContact CA-OD2 3.39Å; H182-D204 WeakPolarHBondContact CB-OD2 3.44Å; H182-D204 IonicContact CE1-OD1 3.31Å; H182-D204 IonicContact CG-OD2 2.79Å; H182-D204 IonicContact ND1-OD1 3.95Å; H182-D204 PolarHBondContact ND1-OD1 2.86Å; H182-D204 IonicContact ND1-OD2 3.94Å; H182-D204 PolarHBondContact ND1-OD2 2.57Å; H182-S206 PolarHBondContact CE1-O 2.9Å; H182-W210 AromaticContact CD2-CZ2 3.96Å
183	T	98.2	Very high	97.9	Very high	123 Å²	123	42.7 Å²	42.7	76%	0.755	26%	0.258	S	S	*	.	S	Bend	trans	-125	5.7	178.2	55.1	0	0	0	0	113.1	D204	T183-D204 PolarHBondContact N-OD2 3.1Å; T183-D204 WeakPolarHBondContact OG1-CB 3.4Å; T183-D204 PolarHBondContact OG1-OD2 3.26Å
184	G	98.4	Very high	98	Very high	12 Å²	12	46.4 Å²	46.4	12%	0.124	28%	0.276	C	S	.	.	S	Bend	trans	-149.6	170.9	173.1	0	0	0	0	0	110.4	V163 V186	V163-G184 WeakPolarHBondContact CG1-O 3.17Å; G184-V186 PolarHBondContact O-N 3.33Å
185	D	98.6	Very high	98	Very high	57 Å²	57	43.8 Å²	43.8	31%	0.305	27%	0.266	S	S	.	.			trans	-52.4	127.4	-173.8	-59.3	18.7	0	0	0	111	Y144 M187 A202 C203	Y144-D185 WeakPolarHBondContact CE1-OD2 3.4Å; Y144-D185 WeakPolarHBondContact OH-CB 3.34Å; Y144-D185 PolarHBondContact OH-OD2 3.31Å; D185-M187 HydrophobicContact CB-SD 4.29Å; D185-M187 PolarHBondContact O-N 3.3Å; D185-A202 CarbonylContact O-C 3.59Å; D185-A202 WeakPolarHBondContact O-CA 3.46Å; D185-A202 VanDerWaalsContact O-CB 3.3Å; D185-A202 WeakPolarHBondContact O-CB 3.16Å; D185-C203 HydrophobicContact CB-CB 4.42Å; D185-C203 PolarHBondContact O-N 3Å
186	V	98.8	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.4	178.3	-170.8	0	0	0	0	107.5	S146 S160 H182 G184 A202	S146-V186 WeakPolarHBondContact CB-O 3.2Å; S146-V186 PolarHBondContact OG-O 2.98Å; S160-V186 PolarHBondContact O-N 2.87Å; S160-V186 VanDerWaalsContact O-N 3.17Å; H182-V186 HydrophobicContact CB-CG2 4.07Å; G184-V186 PolarHBondContact O-N 3.33Å; V186-A202 HydrophobicContact CG2-CB 4.41Å
187	M	98.8	Very high	98.2	Very high	45 Å²	45	46.8 Å²	46.8	22%	0.222	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-33.5	-170.1	-63.7	-57.5	-74.7	0	0	113.1	Y144 S146 D185 G201 C203 I228	Y144-M187 HydrophobicContact CE2-SD 4.39Å; Y144-M187 PolarHBondContact OH-SD 3.32Å; Y144-M187 VanDerWaalsContact OH-SD 3.41Å; S146-M187 WeakPolarHBondContact CB-O 3.03Å; D185-M187 HydrophobicContact CB-SD 4.29Å; D185-M187 PolarHBondContact O-N 3.3Å; M187-G201 PolarHBondContact N-O 2.94Å; M187-C203 VanDerWaalsContact CG-SG 3.6Å; M187-I228 WeakPolarHBondContact CB-O 2.98Å
188	S	98.5	Very high	98.2	Very high	14 Å²	14	45.7 Å²	45.7	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.4	-179.6	-177.2	0	0	0	0	111.9	S200 G201 N229	S188-S200 CarbonylContact O-C 3.53Å; S188-S200 VanDerWaalsContact O-CA 3.29Å; S188-S200 WeakPolarHBondContact O-CA 3.44Å; S188-G201 PolarHBondContact N-O 3.47Å; S188-G201 PolarHBondContact O-N 2.77Å; S188-N229 WeakPolarHBondContact CB-O 3.36Å
189	L	98.8	Very high	98.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155	169.6	70.3	86.9	0	0	0	111.4	C147 R149 V157 T158 F198 V199	C147-L189 HydrophobicContact CB-CG 4.25Å; R149-L189 HydrophobicContact CB-CD1 3.85Å; R149-L189 HydrophobicContact CG-CD1 3.61Å; V157-L189 HydrophobicContact CG1-CD2 3.89Å; T158-L189 VanDerWaalsContact C-CD2 3.46Å; L189-F198 HydrophobicContact CB-CD2 4.27Å; L189-V199 CarbonylContact C-O 3.49Å; L189-V199 WeakPolarHBondContact CA-O 3.5Å; L189-V199 WeakPolarHBondContact CB-O 3.28Å
190	S	98.8	Very high	98.3	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.07	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.2	170.3	-176	0	0	0	0	109.4	F198 V199 F233	S190-F198 CarbonylContact O-C 3.58Å; S190-F198 VanDerWaalsContact O-CA 3.27Å; S190-F198 WeakPolarHBondContact O-CA 3.41Å; S190-F198 VanDerWaalsContact O-CB 3.3Å; S190-F198 WeakPolarHBondContact O-CB 3.48Å; S190-V199 PolarHBondContact N-O 2.76Å; S190-V199 PolarHBondContact O-N 3.21Å; S190-F233 WeakPolarHBondContact O-CD2 3.44Å; S190-F233 WeakPolarHBondContact O-CE2 3.47Å; S190-F233 PolarHBondContact OG-N 3.02Å
191	L	98.7	Very high	98.4	Very high	24 Å²	24	37.6 Å²	37.6	13%	0.126	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.8	171.4	-63.3	174.4	0	0	0	110.2	R149 F150 L151 V157 L195 F198 I212 F233	R149-L191 HydrophobicContact CB-CD1 3.58Å; R149-L191 HydrophobicContact CB-CG 3.83Å; R149-L191 HydrophobicContact CG-CG 4.5Å; F150-L191 VanDerWaalsContact O-CD1 3.24Å; F150-L191 WeakPolarHBondContact O-CD1 3.44Å; L151-L191 HydrophobicContact CD2-CD1 3.82Å; L151-L191 HydrophobicContact CD2-CD2 3.71Å; L151-L191 HydrophobicContact CD2-CG 4.35Å; L151-L191 HydrophobicContact CG-CD1 4.47Å; V157-L191 HydrophobicContact CB-CD2 4.38Å; V157-L191 HydrophobicContact CG2-CD2 4.03Å; L191-L195 HydrophobicContact CB-CD2 4.13Å; L191-L195 HydrophobicContact CD1-CD2 4.01Å; L191-F198 HydrophobicContact CD2-CB 3.8Å; L191-I212 HydrophobicContact CD2-CD1 4.24Å; L191-F233 WeakPolarHBondContact O-CD2 3.48Å
192	A	98.3	Very high	98.4	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.017	19%	0.191	C	C	.	.			trans	-70.4	153.4	169.3	0	0	0	0	0	110.5	D194 L195 T197 F233	A192-D194 WeakPolarHBondContact CB-OD1 3.12Å; A192-D194 PolarHBondContact O-N 3.17Å; A192-D194 VanDerWaalsContact O-N 3.13Å; A192-L195 PolarHBondContact O-N 3.36Å; A192-T197 VanDerWaalsContact CB-O 3.29Å; A192-T197 WeakPolarHBondContact CB-O 3.4Å; A192-T197 VanDerWaalsContact CB-OG1 3.32Å; A192-T197 WeakPolarHBondContact CB-OG1 3.15Å; A192-T197 PolarHBondContact N-O 2.74Å; A192-F233 HydrophobicContact CB-CD1 4.34Å; A192-F233 HydrophobicContact CB-CD2 4.27Å; A192-F233 HydrophobicContact CB-CE1 3.91Å; A192-F233 HydrophobicContact CB-CE2 3.83Å; A192-F233 HydrophobicContact CB-CG 4.49Å; A192-F233 HydrophobicContact CB-CZ 3.63Å; A192-F233 VanDerWaalsContact N-CE2 3.33Å
193	P	97.6	Very high	98.5	Very high	79 Å²	79	36.8 Å²	36.8	51%	0.513	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.6	177.9	-26.3	34.7	0	0	0	114.8	L195	P193-L195 VanDerWaalsContact C-N 3.33Å
194	D	97.1	Very high	98.5	Very high	89 Å²	89	32.8 Å²	32.8	48%	0.476	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3	177.4	73.1	-6.5	0	0	0	114	A192 R196	A192-D194 WeakPolarHBondContact CB-OD1 3.12Å; A192-D194 PolarHBondContact O-N 3.17Å; A192-D194 VanDerWaalsContact O-N 3.13Å; D194-R196 HydrophobicContact CB-CG 4.35Å; D194-R196 PolarHBondContact O-N 3.08Å; D194-R196 PolarHBondContact OD1-N 2.52Å; D194-R196 WeakPolarHBondContact OD2-CD 3.23Å
195	L	97.7	Very high	98.5	Very high	74 Å²	74	33.2 Å²	33.2	39%	0.387	18%	0.176	S	C	.	.	S	Bend	trans	56.6	23.4	-178	-53.7	176	0	0	0	114.4	L151 L191 A192 P193 I212	L151-L195 HydrophobicContact CD2-CB 3.99Å; L151-L195 HydrophobicContact CD2-CD2 4.19Å; L151-L195 WeakPolarHBondContact O-CD1 3.29Å; L191-L195 HydrophobicContact CB-CD2 4.13Å; L191-L195 HydrophobicContact CD1-CD2 4.01Å; A192-L195 PolarHBondContact O-N 3.36Å; P193-L195 VanDerWaalsContact C-N 3.33Å; L195-I212 WeakPolarHBondContact O-CD1 3.25Å
196	R	98	Very high	98.5	Very high	178 Å²	178	30.9 Å²	30.9	67%	0.672	16%	0.164	S	C	*	.	S	Bend	trans	-98	-27.7	178.5	-61.3	-176.9	-178.5	-176	-0.6	113.3	D194 I212	D194-R196 HydrophobicContact CB-CG 4.35Å; D194-R196 PolarHBondContact O-N 3.08Å; D194-R196 PolarHBondContact OD1-N 2.52Å; D194-R196 WeakPolarHBondContact OD2-CD 3.23Å; R196-I212 WeakPolarHBondContact O-CB 3.3Å; R196-I212 WeakPolarHBondContact O-CG1 3.33Å; R196-I212 PolarHBondContact O-N 2.99Å
197	T	98.5	Very high	98.5	Very high	30 Å²	30	30.9 Å²	30.9	18%	0.184	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.5	-179.6	61.3	0	0	0	0	110.1	A192 W210	A192-T197 VanDerWaalsContact CB-O 3.29Å; A192-T197 WeakPolarHBondContact CB-O 3.4Å; A192-T197 VanDerWaalsContact CB-OG1 3.32Å; A192-T197 WeakPolarHBondContact CB-OG1 3.15Å; A192-T197 PolarHBondContact N-O 2.74Å; T197-W210 CarbonylContact C-O 3.59Å; T197-W210 WeakPolarHBondContact CA-O 3.32Å; T197-W210 WeakPolarHBondContact CB-O 3.25Å
198	F	98.8	Very high	98.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.2	168.3	73.9	-86.7	0	0	0	110.2	V157 C165 F179 L189 S190 L191 W210 I212	V157-F198 HydrophobicContact CG1-CD1 4.38Å; V157-F198 HydrophobicContact CG1-CE1 4.24Å; V157-F198 HydrophobicContact CG1-CE2 4.37Å; V157-F198 HydrophobicContact CG1-CZ 4.24Å; C165-F198 HydrophobicContact CB-CE2 4.08Å; C165-F198 HydrophobicContact CB-CZ 3.99Å; F179-F198 HydrophobicContact CB-CZ 4.23Å; F179-F198 AromaticContact CD1-CE1 3.87Å; F179-F198 HydrophobicContact CD1-CE1 3.87Å; F179-F198 AromaticContact CD1-CZ 3.94Å; F179-F198 HydrophobicContact CD1-CZ 3.94Å; F179-F198 AromaticContact CD2-CE1 3.92Å; F179-F198 HydrophobicContact CD2-CE1 3.92Å; F179-F198 AromaticContact CD2-CZ 3.68Å; F179-F198 HydrophobicContact CD2-CZ 3.68Å; F179-F198 AromaticContact CE1-CE1 3.65Å; F179-F198 HydrophobicContact CE1-CE1 3.65Å; F179-F198 HydrophobicContact CE1-CZ 4.18Å; F179-F198 AromaticContact CE2-CE1 3.72Å; F179-F198 HydrophobicContact CE2-CE1 3.72Å; F179-F198 AromaticContact CE2-CZ 3.96Å; F179-F198 HydrophobicContact CE2-CZ 3.96Å; F179-F198 HydrophobicContact CG-CE1 4.01Å; F179-F198 AromaticContact CG-CZ 3.68Å; F179-F198 HydrophobicContact CG-CZ 3.68Å; F179-F198 AromaticContact CZ-CE1 3.6Å; F179-F198 HydrophobicContact CZ-CE1 3.6Å; F179-F198 HydrophobicContact CZ-CZ 4.22Å; L189-F198 HydrophobicContact CB-CD2 4.27Å; S190-F198 CarbonylContact O-C 3.58Å; S190-F198 VanDerWaalsContact O-CA 3.27Å; S190-F198 WeakPolarHBondContact O-CA 3.41Å; S190-F198 VanDerWaalsContact O-CB 3.3Å; S190-F198 WeakPolarHBondContact O-CB 3.48Å; L191-F198 HydrophobicContact CD2-CB 3.8Å; F198-W210 HydrophobicContact CD1-CB 3.8Å; F198-W210 HydrophobicContact CD1-CG 4.47Å; F198-W210 HydrophobicContact CD2-CB 4.46Å; F198-W210 AromaticContact CD2-CD1 3.71Å; F198-W210 HydrophobicContact CD2-CG 4.36Å; F198-W210 HydrophobicContact CE1-CB 3.37Å; F198-W210 AromaticContact CE1-CG 3.87Å; F198-W210 HydrophobicContact CE1-CG 3.87Å; F198-W210 HydrophobicContact CE2-CB 4.09Å; F198-W210 AromaticContact CE2-CD1 3.2Å; F198-W210 AromaticContact CE2-CG 3.73Å; F198-W210 HydrophobicContact CE2-CG 3.73Å; F198-W210 AromaticContact CE2-NE1 3.8Å; F198-W210 HydrophobicContact CG-CB 4.32Å; F198-W210 HydrophobicContact CZ-CB 3.53Å; F198-W210 AromaticContact CZ-CD1 3.45Å; F198-W210 VanDerWaalsContact CZ-CD1 3.45Å; F198-W210 HydrophobicContact CZ-CD2 4.23Å; F198-W210 AromaticContact CZ-CG 3.45Å; F198-W210 HydrophobicContact CZ-CG 3.45Å; F198-W210 VanDerWaalsContact CZ-CG 3.45Å; F198-W210 PolarHBondContact N-O 2.86Å; F198-W210 PolarHBondContact O-N 2.93Å; F198-I212 HydrophobicContact CD1-CD1 4.22Å; F198-I212 HydrophobicContact CD1-CG1 3.7Å; F198-I212 HydrophobicContact CE1-CG1 4.27Å
199	V	98.9	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.8	171.1	-67.3	0	0	0	0	110.2	L189 S190 K208 L209 I231 F233 F240	L189-V199 CarbonylContact C-O 3.49Å; L189-V199 WeakPolarHBondContact CA-O 3.5Å; L189-V199 WeakPolarHBondContact CB-O 3.28Å; S190-V199 PolarHBondContact N-O 2.76Å; S190-V199 PolarHBondContact O-N 3.21Å; V199-K208 CarbonylContact C-O 3.58Å; V199-K208 WeakPolarHBondContact CA-O 3.45Å; V199-L209 HydrophobicContact CG1-CB 4.28Å; V199-L209 HydrophobicContact CG1-CD1 3.72Å; V199-I231 HydrophobicContact CB-CD1 3.63Å; V199-I231 HydrophobicContact CB-CG1 4.34Å; V199-I231 HydrophobicContact CG2-CD1 3.48Å; V199-I231 VanDerWaalsContact CG2-CD1 3.48Å; V199-I231 HydrophobicContact CG2-CG1 3.61Å; V199-I231 HydrophobicContact CG2-CG2 4.38Å; V199-F233 HydrophobicContact CB-CE2 4.1Å; V199-F233 HydrophobicContact CB-CZ 4.43Å; V199-F233 HydrophobicContact CG1-CE1 4.35Å; V199-F233 HydrophobicContact CG1-CE2 3.8Å; V199-F233 HydrophobicContact CG1-CZ 3.63Å; V199-F233 HydrophobicContact CG2-CD2 3.78Å; V199-F233 HydrophobicContact CG2-CE2 3.6Å; V199-F233 HydrophobicContact CG2-CZ 4.25Å; V199-F240 HydrophobicContact CG1-CD1 4.01Å; V199-F240 HydrophobicContact CG1-CE1 4.25Å; V199-F240 HydrophobicContact CG1-CG 4.27Å; V199-F240 HydrophobicContact CG2-CB 4.34Å; V199-F240 HydrophobicContact CG2-CG 4.37Å
200	S	98.9	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.8	172.7	58	0	0	0	0	111.3	H182 S188 A207 K208 W210	H182-S200 PolarHBondContact NE2-OG 3.34Å; S188-S200 CarbonylContact O-C 3.53Å; S188-S200 VanDerWaalsContact O-CA 3.29Å; S188-S200 WeakPolarHBondContact O-CA 3.44Å; S200-A207 CarbonylContact O-C 3.41Å; S200-A207 WeakPolarHBondContact O-CA 3.17Å; S200-K208 PolarHBondContact N-O 2.81Å; S200-K208 PolarHBondContact O-N 2.79Å; S200-W210 PolarHBondContact OG-NE1 3Å
201	G	98.8	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.4	171.3	0	0	0	0	0	110.4	M187 S188 I228	M187-G201 PolarHBondContact N-O 2.94Å; S188-G201 PolarHBondContact N-O 3.47Å; S188-G201 PolarHBondContact O-N 2.77Å; G201-I228 CarbonylContact C-O 3.5Å
202	A	98.9	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	171.6	-171.7	0	0	0	0	0	113.5	H182 D185 V186 D204 A205 S206 I228	H182-A202 HydrophobicContact CB-CB 4.34Å; H182-A202 VanDerWaalsContact ND1-CB 3.32Å; H182-A202 WeakPolarHBondContact ND1-CB 3.28Å; D185-A202 CarbonylContact O-C 3.59Å; D185-A202 WeakPolarHBondContact O-CA 3.46Å; D185-A202 VanDerWaalsContact O-CB 3.3Å; D185-A202 WeakPolarHBondContact O-CB 3.16Å; V186-A202 HydrophobicContact CG2-CB 4.41Å; A202-D204 PolarHBondContact O-N 3.32Å; A202-A205 PolarHBondContact O-N 2.9Å; A202-S206 PolarHBondContact N-O 2.97Å; A202-I228 PolarHBondContact O-N 2.86Å
203	C	98.8	Very high	98.4	Very high	35 Å²	35	42.1 Å²	42.1	24%	0.236	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	3.8	173.5	-62.7	0	0	0	0	114	D185 M187 A205 D227	D185-C203 HydrophobicContact CB-CB 4.42Å; D185-C203 PolarHBondContact O-N 3Å; M187-C203 VanDerWaalsContact CG-SG 3.6Å; C203-A205 VanDerWaalsContact C-N 3.26Å; C203-D227 HydrophobicContact CB-CB 4.36Å; C203-D227 VanDerWaalsContact SG-CG 3.57Å; C203-D227 PolarHBondContact SG-OD2 2.84Å
204	D	98.4	Very high	98.3	Very high	38 Å²	38	41.8 Å²	41.8	20%	0.203	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	14.7	169.3	64.2	15.8	0	0	0	113.2	H182 T183 A202 S206	H182-D204 VanDerWaalsContact CA-OD2 3.31Å; H182-D204 WeakPolarHBondContact CA-OD2 3.39Å; H182-D204 WeakPolarHBondContact CB-OD2 3.44Å; H182-D204 IonicContact CE1-OD1 3.31Å; H182-D204 IonicContact CG-OD2 2.79Å; H182-D204 IonicContact ND1-OD1 3.95Å; H182-D204 PolarHBondContact ND1-OD1 2.86Å; H182-D204 IonicContact ND1-OD2 3.94Å; H182-D204 PolarHBondContact ND1-OD2 2.57Å; T183-D204 PolarHBondContact N-OD2 3.1Å; T183-D204 WeakPolarHBondContact OG1-CB 3.4Å; T183-D204 PolarHBondContact OG1-OD2 3.26Å; A202-D204 PolarHBondContact O-N 3.32Å; D204-S206 VanDerWaalsContact CG-OG 3.27Å; D204-S206 PolarHBondContact O-N 3.35Å; D204-S206 VanDerWaalsContact O-N 3.09Å; D204-S206 WeakPolarHBondContact OD1-CB 3.47Å; D204-S206 PolarHBondContact OD1-N 2.91Å; D204-S206 PolarHBondContact OD1-OG 3.34Å; D204-S206 PolarHBondContact OD2-OG 3.05Å
205	A	98.5	Very high	98.2	Very high	22 Å²	22	38.2 Å²	38.2	18%	0.182	18%	0.182	C	C	.	.	S	Bend	trans	55.9	20.5	-176.7	0	0	0	0	0	114.4	A202 C203 H224 S226	A202-A205 PolarHBondContact O-N 2.9Å; C203-A205 VanDerWaalsContact C-N 3.26Å; A205-H224 HydrophobicContact CB-CB 4.37Å; A205-S226 WeakPolarHBondContact CA-O 3.22Å; A205-S226 VanDerWaalsContact CB-O 3.26Å; A205-S226 WeakPolarHBondContact CB-O 3.07Å
206	S	98.5	Very high	98.2	Very high	8 Å²	8	40.2 Å²	40.2	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.2	179.1	82.1	0	0	0	0	112.3	H182 A202 D204 F221 I228	H182-S206 PolarHBondContact CE1-O 2.9Å; A202-S206 PolarHBondContact N-O 2.97Å; D204-S206 VanDerWaalsContact CG-OG 3.27Å; D204-S206 PolarHBondContact O-N 3.35Å; D204-S206 VanDerWaalsContact O-N 3.09Å; D204-S206 WeakPolarHBondContact OD1-CB 3.47Å; D204-S206 PolarHBondContact OD1-N 2.91Å; D204-S206 PolarHBondContact OD1-OG 3.34Å; D204-S206 PolarHBondContact OD2-OG 3.05Å; S206-F221 WeakPolarHBondContact CA-O 3.13Å; S206-I228 VanDerWaalsContact C-CD1 3.47Å
207	A	98.8	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141.6	166.4	0	0	0	0	0	109.7	S200 T220 F221 I228 I231 F240 T242	S200-A207 CarbonylContact O-C 3.41Å; S200-A207 WeakPolarHBondContact O-CA 3.17Å; A207-T220 CarbonylContact O-C 3.59Å; A207-T220 WeakPolarHBondContact O-CA 3.39Å; A207-F221 HydrophobicContact CB-CB 4.31Å; A207-F221 PolarHBondContact N-O 3.45Å; A207-F221 PolarHBondContact O-N 3.16Å; A207-I228 HydrophobicContact CB-CD1 4.16Å; A207-I231 HydrophobicContact CB-CD1 3.8Å; A207-F240 HydrophobicContact CB-CE2 3.83Å; A207-F240 HydrophobicContact CB-CZ 4.18Å; A207-T242 HydrophobicContact CB-CG2 4.25Å
208	K	98.8	Very high	98.2	Very high	23 Å²	23	37.4 Å²	37.4	10%	0.1	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.9	-179.8	-70.8	178.4	-172.1	-82.4	0	111.1	G181 V199 S200 W210 Q219 T220	G181-K208 WeakPolarHBondContact O-CE 3.38Å; G181-K208 PolarHBondContact O-NZ 3.36Å; V199-K208 CarbonylContact C-O 3.58Å; V199-K208 WeakPolarHBondContact CA-O 3.45Å; S200-K208 PolarHBondContact N-O 2.81Å; S200-K208 PolarHBondContact O-N 2.79Å; K208-W210 HydrophobicContact CB-CZ2 3.7Å; K208-W210 HydrophobicContact CD-CH2 3.95Å; K208-W210 HydrophobicContact CD-CZ2 3.48Å; K208-W210 VanDerWaalsContact CD-CZ2 3.48Å; K208-W210 HydrophobicContact CG-CZ2 4.22Å; K208-Q219 WeakPolarHBondContact CA-O 3.24Å; K208-T220 HydrophobicContact CG-CG2 4.12Å; K208-T220 PolarHBondContact NZ-OG1 2.91Å
209	L	98.8	Very high	98.1	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.3	171.3	176.4	70.2	0	0	0	109.3	V199 C217 K218 Q219 F221 F233 I254	V199-L209 HydrophobicContact CG1-CB 4.28Å; V199-L209 HydrophobicContact CG1-CD1 3.72Å; L209-C217 CarbonylContact O-C 3.55Å; L209-K218 HydrophobicContact CD2-CB 4.3Å; L209-K218 HydrophobicContact CG-CB 4.43Å; L209-K218 PolarHBondContact O-N 3.48Å; L209-Q219 HydrophobicContact CB-CB 4.29Å; L209-Q219 PolarHBondContact N-O 3.12Å; L209-F221 HydrophobicContact CB-CE2 4.05Å; L209-F233 HydrophobicContact CD1-CZ 4.04Å; L209-I254 HydrophobicContact CD1-CD1 4.44Å; L209-I254 HydrophobicContact CD2-CD1 4.43Å; L209-I254 HydrophobicContact CD2-CG2 3.91Å
210	W	98.8	Very high	98.1	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.9	-175.9	-52.3	91.3	0	0	0	110.8	F179 H182 T197 F198 S200 K208 Q216 C217	F179-W210 HydrophobicContact CB-CD2 4.04Å; F179-W210 HydrophobicContact CB-CE3 3.73Å; F179-W210 HydrophobicContact CB-CH2 4.29Å; F179-W210 HydrophobicContact CB-CZ3 3.85Å; F179-W210 HydrophobicContact CD1-CB 4.07Å; F179-W210 HydrophobicContact CD1-CD2 4.25Å; F179-W210 AromaticContact CD1-CE3 3.89Å; F179-W210 HydrophobicContact CD1-CE3 3.89Å; F179-W210 HydrophobicContact CD1-CG 4.35Å; F179-W210 HydrophobicContact CE1-CB 4.36Å; F179-W210 HydrophobicContact CG-CD2 4.48Å; F179-W210 HydrophobicContact CG-CE3 4.26Å; H182-W210 AromaticContact CD2-CZ2 3.96Å; T197-W210 CarbonylContact C-O 3.59Å; T197-W210 WeakPolarHBondContact CA-O 3.32Å; T197-W210 WeakPolarHBondContact CB-O 3.25Å; F198-W210 HydrophobicContact CD1-CB 3.8Å; F198-W210 HydrophobicContact CD1-CG 4.47Å; F198-W210 HydrophobicContact CD2-CB 4.46Å; F198-W210 AromaticContact CD2-CD1 3.71Å; F198-W210 HydrophobicContact CD2-CG 4.36Å; F198-W210 HydrophobicContact CE1-CB 3.37Å; F198-W210 AromaticContact CE1-CG 3.87Å; F198-W210 HydrophobicContact CE1-CG 3.87Å; F198-W210 HydrophobicContact CE2-CB 4.09Å; F198-W210 AromaticContact CE2-CD1 3.2Å; F198-W210 AromaticContact CE2-CG 3.73Å; F198-W210 HydrophobicContact CE2-CG 3.73Å; F198-W210 AromaticContact CE2-NE1 3.8Å; F198-W210 HydrophobicContact CG-CB 4.32Å; F198-W210 HydrophobicContact CZ-CB 3.53Å; F198-W210 AromaticContact CZ-CD1 3.45Å; F198-W210 VanDerWaalsContact CZ-CD1 3.45Å; F198-W210 HydrophobicContact CZ-CD2 4.23Å; F198-W210 AromaticContact CZ-CG 3.45Å; F198-W210 HydrophobicContact CZ-CG 3.45Å; F198-W210 VanDerWaalsContact CZ-CG 3.45Å; F198-W210 PolarHBondContact N-O 2.86Å; F198-W210 PolarHBondContact O-N 2.93Å; S200-W210 PolarHBondContact OG-NE1 3Å; K208-W210 HydrophobicContact CB-CZ2 3.7Å; K208-W210 HydrophobicContact CD-CH2 3.95Å; K208-W210 HydrophobicContact CD-CZ2 3.48Å; K208-W210 VanDerWaalsContact CD-CZ2 3.48Å; K208-W210 HydrophobicContact CG-CZ2 4.22Å; W210-Q216 WeakPolarHBondContact CA-O 3.43Å; W210-C217 HydrophobicContact CD2-CB 4.38Å; W210-C217 HydrophobicContact CE3-CB 3.67Å; W210-C217 HydrophobicContact CH2-CB 4.02Å; W210-C217 HydrophobicContact CZ3-CB 3.47Å; W210-C217 VanDerWaalsContact CZ3-CB 3.47Å
211	D	98.4	Very high	98	Very high	41 Å²	41	42.4 Å²	42.4	22%	0.219	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.4	168.2	-177	-54.3	0	0	0	109.4	R213 D214 G215 Q216 K218	D211-R213 VanDerWaalsContact C-N 3.28Å; D211-R213 PolarHBondContact O-N 2.81Å; D211-R213 WeakPolarHBondContact OD1-CA 3.49Å; D211-R213 WeakPolarHBondContact OD1-CB 3.26Å; D211-R213 PolarHBondContact OD1-N 2.93Å; D211-D214 WeakPolarHBondContact CB-OD1 3.3Å; D211-D214 PolarHBondContact OD1-N 2.8Å; D211-G215 WeakPolarHBondContact O-CA 3.25Å; D211-G215 PolarHBondContact O-N 3.38Å; D211-Q216 PolarHBondContact N-O 3.36Å; D211-K218 HydrophobicContact CB-CD 4.38Å; D211-K218 HydrophobicContact CB-CG 4.13Å
212	I	98.1	Very high	97.9	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.092	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.2	-173.8	-67.3	172.9	0	0	0	111	L151 L167 L191 L195 R196 F198	L151-I212 HydrophobicContact CD1-CD1 4.28Å; L151-I212 HydrophobicContact CD1-CG2 4.11Å; L151-I212 HydrophobicContact CD2-CD1 3.69Å; L167-I212 HydrophobicContact CD1-CG2 4.42Å; L167-I212 HydrophobicContact CD2-CG2 3.96Å; L191-I212 HydrophobicContact CD2-CD1 4.24Å; L195-I212 WeakPolarHBondContact O-CD1 3.25Å; R196-I212 WeakPolarHBondContact O-CB 3.3Å; R196-I212 WeakPolarHBondContact O-CG1 3.33Å; R196-I212 PolarHBondContact O-N 2.99Å; F198-I212 HydrophobicContact CD1-CD1 4.22Å; F198-I212 HydrophobicContact CD1-CG1 3.7Å; F198-I212 HydrophobicContact CE1-CG1 4.27Å
213	R	97	Very high	97.7	Very high	239 Å²	239	47.5 Å²	47.5	90%	0.902	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-41.8	-172.6	-177.7	-179.5	177.3	-178.4	-0.1	112.1	D211	D211-R213 VanDerWaalsContact C-N 3.28Å; D211-R213 PolarHBondContact O-N 2.81Å; D211-R213 WeakPolarHBondContact OD1-CA 3.49Å; D211-R213 WeakPolarHBondContact OD1-CB 3.26Å; D211-R213 PolarHBondContact OD1-N 2.93Å
214	D	95.6	Very high	97.7	Very high	71 Å²	71	46.5 Å²	46.5	38%	0.38	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-8.5	-179.1	72.1	19.6	0	0	0	114.4	D211 Q216 K218	D211-D214 WeakPolarHBondContact CB-OD1 3.3Å; D211-D214 PolarHBondContact OD1-N 2.8Å; D214-Q216 VanDerWaalsContact C-N 3.25Å; D214-Q216 HydrophobicContact CB-CG 4.47Å; D214-Q216 PolarHBondContact O-N 2.78Å; D214-Q216 PolarHBondContact O-NE2 2.93Å; D214-Q216 VanDerWaalsContact OD1-CB 3.26Å; D214-Q216 WeakPolarHBondContact OD1-CB 3.25Å; D214-Q216 PolarHBondContact OD1-N 3Å; D214-K218 IonicContact OD1-NZ 3.73Å; D214-K218 WeakPolarHBondContact OD2-CE 3.33Å; D214-K218 IonicContact OD2-NZ 2.79Å; D214-K218 PolarHBondContact OD2-NZ 2.91Å
215	G	96	Very high	97.7	Very high	14 Å²	14	52.9 Å²	52.9	14%	0.144	27%	0.269	C	S	.	.			trans	76.1	9.1	176.4	0	0	0	0	0	114.2	D211	D211-G215 WeakPolarHBondContact O-CA 3.25Å; D211-G215 PolarHBondContact O-N 3.38Å
216	Q	97	Very high	97.7	Very high	116 Å²	116	53.7 Å²	53.7	54%	0.542	27%	0.273	S	S	.	.			trans	-102.5	146.7	-170.9	-57.2	-57.6	-53.7	0	0	113.2	W210 D211 D214 K218	W210-Q216 WeakPolarHBondContact CA-O 3.43Å; D211-Q216 PolarHBondContact N-O 3.36Å; D214-Q216 VanDerWaalsContact C-N 3.25Å; D214-Q216 HydrophobicContact CB-CG 4.47Å; D214-Q216 PolarHBondContact O-N 2.78Å; D214-Q216 PolarHBondContact O-NE2 2.93Å; D214-Q216 VanDerWaalsContact OD1-CB 3.26Å; D214-Q216 WeakPolarHBondContact OD1-CB 3.25Å; D214-Q216 PolarHBondContact OD1-N 3Å; Q216-K218 PolarHBondContact O-N 3.32Å
217	C	98.2	Very high	97.7	Very high	47 Å²	47	55.8 Å²	55.8	32%	0.318	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.2	165.5	-172.5	0	0	0	0	109.2	L209 W210 Q219	L209-C217 CarbonylContact O-C 3.55Å; W210-C217 HydrophobicContact CD2-CB 4.38Å; W210-C217 HydrophobicContact CE3-CB 3.67Å; W210-C217 HydrophobicContact CH2-CB 4.02Å; W210-C217 HydrophobicContact CZ3-CB 3.47Å; W210-C217 VanDerWaalsContact CZ3-CB 3.47Å; C217-Q219 PolarHBondContact SG-O 3.09Å; C217-Q219 VanDerWaalsContact SG-O 3.34Å
218	K	97.9	Very high	97.7	Very high	102 Å²	102	55.9 Å²	55.9	44%	0.443	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-41.4	177.2	-60.2	-57.2	-179	-178.5	0	112.6	L209 D211 D214 Q216	L209-K218 HydrophobicContact CD2-CB 4.3Å; L209-K218 HydrophobicContact CG-CB 4.43Å; L209-K218 PolarHBondContact O-N 3.48Å; D211-K218 HydrophobicContact CB-CD 4.38Å; D211-K218 HydrophobicContact CB-CG 4.13Å; D214-K218 IonicContact OD1-NZ 3.73Å; D214-K218 WeakPolarHBondContact OD2-CE 3.33Å; D214-K218 IonicContact OD2-NZ 2.79Å; D214-K218 PolarHBondContact OD2-NZ 2.91Å; Q216-K218 PolarHBondContact O-N 3.32Å
219	Q	97.6	Very high	97.7	Very high	42 Å²	42	56.3 Å²	56.3	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.2	-177.2	-69.4	173.1	-67.1	0	0	110.7	K208 L209 C217 F221 I254 D257	K208-Q219 WeakPolarHBondContact CA-O 3.24Å; L209-Q219 HydrophobicContact CB-CB 4.29Å; L209-Q219 PolarHBondContact N-O 3.12Å; C217-Q219 PolarHBondContact SG-O 3.09Å; C217-Q219 VanDerWaalsContact SG-O 3.34Å; Q219-F221 HydrophobicContact CB-CD2 4.39Å; Q219-F221 HydrophobicContact CB-CE2 3.62Å; Q219-F221 HydrophobicContact CB-CZ 3.82Å; Q219-F221 HydrophobicContact CG-CZ 4.47Å; Q219-I254 PolarHBondContact NE2-O 3.42Å; Q219-I254 PolarHBondContact OE1-O 3.33Å; Q219-D257 PolarHBondContact NE2-OD1 3.5Å
220	T	97.9	Very high	97.7	Very high	60 Å²	60	56 Å²	56	37%	0.368	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.4	171.7	-61.9	0	0	0	0	108.4	A207 K208 T222	A207-T220 CarbonylContact O-C 3.59Å; A207-T220 WeakPolarHBondContact O-CA 3.39Å; K208-T220 HydrophobicContact CG-CG2 4.12Å; K208-T220 PolarHBondContact NZ-OG1 2.91Å; T220-T222 HydrophobicContact CG2-CG2 4.43Å
221	F	97.9	Very high	97.7	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128	-179.9	-56.8	-94.6	0	0	0	108.8	S206 A207 L209 Q219 F240 F252 I254	S206-F221 WeakPolarHBondContact CA-O 3.13Å; A207-F221 HydrophobicContact CB-CB 4.31Å; A207-F221 PolarHBondContact N-O 3.45Å; A207-F221 PolarHBondContact O-N 3.16Å; L209-F221 HydrophobicContact CB-CE2 4.05Å; Q219-F221 HydrophobicContact CB-CD2 4.39Å; Q219-F221 HydrophobicContact CB-CE2 3.62Å; Q219-F221 HydrophobicContact CB-CZ 3.82Å; Q219-F221 HydrophobicContact CG-CZ 4.47Å; F221-F240 HydrophobicContact CB-CZ 4.08Å; F221-F240 HydrophobicContact CD1-CE1 4.25Å; F221-F240 HydrophobicContact CD1-CZ 4.02Å; F221-F240 AromaticContact CD2-CE1 3.79Å; F221-F240 HydrophobicContact CD2-CE1 3.79Å; F221-F240 AromaticContact CD2-CZ 3.43Å; F221-F240 HydrophobicContact CD2-CZ 3.43Å; F221-F240 VanDerWaalsContact CD2-CZ 3.43Å; F221-F240 HydrophobicContact CE1-CE1 4.07Å; F221-F240 HydrophobicContact CE1-CZ 4.3Å; F221-F240 AromaticContact CE2-CE1 3.6Å; F221-F240 HydrophobicContact CE2-CE1 3.6Å; F221-F240 AromaticContact CE2-CZ 3.78Å; F221-F240 HydrophobicContact CE2-CZ 3.78Å; F221-F240 HydrophobicContact CG-CE1 4.12Å; F221-F240 AromaticContact CG-CZ 3.57Å; F221-F240 HydrophobicContact CG-CZ 3.57Å; F221-F240 AromaticContact CZ-CE1 3.76Å; F221-F240 HydrophobicContact CZ-CE1 3.76Å; F221-F240 HydrophobicContact CZ-CZ 4.21Å; F221-F252 HydrophobicContact CB-CD1 3.9Å; F221-F252 HydrophobicContact CB-CE1 4.01Å; F221-F252 HydrophobicContact CB-CG 4.37Å; F221-F252 HydrophobicContact CD1-CB 4.15Å; F221-F252 AromaticContact CD1-CD1 3.87Å; F221-F252 HydrophobicContact CD1-CD1 3.87Å; F221-F252 HydrophobicContact CD1-CG 4.28Å; F221-F252 HydrophobicContact CG-CD1 4.24Å; F221-I254 HydrophobicContact CZ-CG1 4.43Å
222	T	96.3	Very high	97.7	Very high	82 Å²	82	56.6 Å²	56.6	50%	0.503	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.6	178.5	55.7	0	0	0	0	109.2	T220	T220-T222 HydrophobicContact CG2-CG2 4.43Å
223	G	95	Very high	97.7	Very high	25 Å²	25	56.3 Å²	56.3	26%	0.258	29%	0.287	S	S	.	.			trans	171.5	-47.6	178.4	0	0	0	0	0	111.5	R250	G223-R250 VanDerWaalsContact C-NH2 3.33Å; G223-R250 PolarHBondContact O-NH1 3.44Å; G223-R250 PolarHBondContact O-NH2 3.22Å
224	H	98.2	Very high	97.8	Very high	14 Å²	14	47 Å²	47	7%	0.065	25%	0.253	C	S	.	.			trans	-57.6	151	179.8	-80.5	-65.1	0	0	0	112.8	A205 I228 T242 S244 D246 T248 R250	A205-H224 HydrophobicContact CB-CB 4.37Å; H224-I228 HydrophobicContact CB-CD1 4.44Å; H224-I228 HydrophobicContact CB-CG1 4.2Å; H224-T242 PolarHBondContact NE2-OG1 2.88Å; H224-S244 WeakPolarHBondContact CE1-CB 3.18Å; H224-S244 WeakPolarHBondContact ND1-CB 3.46Å; H224-D246 WeakPolarHBondContact CA-OD2 3.34Å; H224-D246 IonicContact CE1-OD1 3.09Å; H224-D246 IonicContact CE1-OD2 2.82Å; H224-D246 IonicContact CG-OD2 3.53Å; H224-D246 VanDerWaalsContact ND1-CG 3.35Å; H224-D246 IonicContact ND1-OD1 3.3Å; H224-D246 PolarHBondContact ND1-OD1 3.09Å; H224-D246 IonicContact ND1-OD2 2.7Å; H224-D246 PolarHBondContact ND1-OD2 2.95Å; H224-T248 PolarHBondContact CE1-O 3.06Å; H224-T248 PolarHBondContact CE1-OG1 2.86Å; H224-T248 PolarHBondContact ND1-OG1 2.6Å; H224-R250 VanDerWaalsContact CE1-CD 3.46Å; H224-R250 WeakPolarHBondContact CE1-CD 3.3Å; H224-R250 PolarHBondContact ND1-NE 3Å; H224-R250 WeakPolarHBondContact NE2-CD 3.33Å
225	E	98	Very high	97.9	Very high	171 Å²	171	46.4 Å²	46.4	80%	0.799	25%	0.254	S	S	*	.	S	Bend	trans	-98.5	-9.5	179.3	-60	-173.7	179.6	0	0	112.6	D246	E225-D246 HydrophobicContact CB-CB 4.06Å; E225-D246 PolarHBondContact N-OD2 3.03Å
226	S	98.3	Very high	98	Very high	40 Å²	40	49 Å²	49	28%	0.28	27%	0.27	S	S	.	.	S	Bend	trans	-148.6	-170.3	-178.5	-162.5	0	0	0	0	111.2	A205 S244	A205-S226 WeakPolarHBondContact CA-O 3.22Å; A205-S226 VanDerWaalsContact CB-O 3.26Å; A205-S226 WeakPolarHBondContact CB-O 3.07Å; S226-S244 PolarHBondContact O-OG 3.17Å
227	D	98.6	Very high	98	Very high	52 Å²	52	44.3 Å²	44.3	28%	0.278	25%	0.252	S	S	.	.			trans	-59.6	137.5	-171.9	-63.4	3	0	0	0	111.3	C203 S244 D245	C203-D227 HydrophobicContact CB-CB 4.36Å; C203-D227 VanDerWaalsContact SG-CG 3.57Å; C203-D227 PolarHBondContact SG-OD2 2.84Å; D227-S244 CarbonylContact O-C 3.56Å; D227-S244 WeakPolarHBondContact O-CA 3.26Å; D227-S244 WeakPolarHBondContact O-CB 3.24Å; D227-S244 PolarHBondContact O-OG 2.84Å; D227-D245 PolarHBondContact O-N 3.37Å
228	I	98.9	Very high	98	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	98.6	173.8	-58.4	179.1	0	0	0	108.4	M187 G201 A202 S206 A207 H224 A230 T242	M187-I228 WeakPolarHBondContact CB-O 2.98Å; G201-I228 CarbonylContact C-O 3.5Å; A202-I228 PolarHBondContact O-N 2.86Å; S206-I228 VanDerWaalsContact C-CD1 3.47Å; A207-I228 HydrophobicContact CB-CD1 4.16Å; H224-I228 HydrophobicContact CB-CD1 4.44Å; H224-I228 HydrophobicContact CB-CG1 4.2Å; I228-A230 WeakPolarHBondContact CG2-O 3.33Å; I228-T242 HydrophobicContact CD1-CG2 4.44Å; I228-T242 HydrophobicContact CG2-CG2 3.86Å
229	N	98.8	Very high	98	Very high	31 Å²	31	41.5 Å²	41.5	17%	0.166	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-31.1	-178.1	-64	-42	0	0	0	113.1	S188 G243 D245 I272	S188-N229 WeakPolarHBondContact CB-O 3.36Å; N229-G243 PolarHBondContact N-O 3.46Å; N229-D245 VanDerWaalsContact ND2-CG 3.3Å; N229-D245 PolarHBondContact ND2-OD1 2.99Å; N229-I272 VanDerWaalsContact CB-O 3.28Å; N229-I272 WeakPolarHBondContact CB-O 3.33Å; N229-I272 PolarHBondContact ND2-O 3.04Å
230	A	98.8	Very high	98.1	Very high	5 Å²	5	39.5 Å²	39.5	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.4	-172.5	0	0	0	0	0	111.8	I228 T242 G243 S274 V275	I228-A230 WeakPolarHBondContact CG2-O 3.33Å; A230-T242 CarbonylContact O-C 3.56Å; A230-T242 VanDerWaalsContact O-CA 3.25Å; A230-T242 WeakPolarHBondContact O-CA 3.47Å; A230-G243 PolarHBondContact N-O 3.38Å; A230-G243 PolarHBondContact O-N 3.28Å; A230-S274 VanDerWaalsContact CB-CA 3.49Å; A230-V275 HydrophobicContact CB-CG1 4.46Å; A230-V275 HydrophobicContact CB-CG2 3.83Å
231	I	98.9	Very high	98.1	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.3	177.6	-164.7	165.3	0	0	0	110	V199 A207 F240 A241 T242	V199-I231 HydrophobicContact CB-CD1 3.63Å; V199-I231 HydrophobicContact CB-CG1 4.34Å; V199-I231 HydrophobicContact CG2-CD1 3.48Å; V199-I231 VanDerWaalsContact CG2-CD1 3.48Å; V199-I231 HydrophobicContact CG2-CG1 3.61Å; V199-I231 HydrophobicContact CG2-CG2 4.38Å; A207-I231 HydrophobicContact CB-CD1 3.8Å; I231-F240 HydrophobicContact CD1-CD2 3.82Å; I231-F240 HydrophobicContact CD1-CE2 3.95Å; I231-F240 HydrophobicContact CG1-CD2 3.91Å; I231-F240 HydrophobicContact CG1-CE2 4.48Å; I231-A241 CarbonylContact C-O 3.57Å; I231-A241 WeakPolarHBondContact CA-O 3.38Å; I231-T242 HydrophobicContact CB-CG2 4.27Å; I231-T242 HydrophobicContact CD1-CG2 3.82Å; I231-T242 HydrophobicContact CG1-CG2 3.72Å
232	I	98.8	Very high	98.2	Very high	47 Å²	47	36.5 Å²	36.5	24%	0.241	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	133.6	179.9	-167.1	66.7	0	0	0	111.3	F240 A241 V275 F277	I232-F240 CarbonylContact O-C 3.46Å; I232-F240 WeakPolarHBondContact O-CA 3.44Å; I232-F240 VanDerWaalsContact O-CB 3.24Å; I232-F240 WeakPolarHBondContact O-CB 3.14Å; I232-A241 HydrophobicContact CG2-CB 4.1Å; I232-A241 PolarHBondContact N-O 3.11Å; I232-A241 PolarHBondContact O-N 3.36Å; I232-V275 HydrophobicContact CB-CG2 4.09Å; I232-V275 HydrophobicContact CG2-CB 4.19Å; I232-V275 HydrophobicContact CG2-CG2 3.62Å; I232-F277 HydrophobicContact CG2-CD2 3.83Å; I232-F277 HydrophobicContact CG2-CE2 3.93Å
233	F	98.7	Very high	98.3	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	144.1	170.6	-94.8	-82.3	0	0	0	111.7	S190 L191 A192 V199 L209 I254	S190-F233 WeakPolarHBondContact O-CD2 3.44Å; S190-F233 WeakPolarHBondContact O-CE2 3.47Å; S190-F233 PolarHBondContact OG-N 3.02Å; L191-F233 WeakPolarHBondContact O-CD2 3.48Å; A192-F233 HydrophobicContact CB-CD1 4.34Å; A192-F233 HydrophobicContact CB-CD2 4.27Å; A192-F233 HydrophobicContact CB-CE1 3.91Å; A192-F233 HydrophobicContact CB-CE2 3.83Å; A192-F233 HydrophobicContact CB-CG 4.49Å; A192-F233 HydrophobicContact CB-CZ 3.63Å; A192-F233 VanDerWaalsContact N-CE2 3.33Å; V199-F233 HydrophobicContact CB-CE2 4.1Å; V199-F233 HydrophobicContact CB-CZ 4.43Å; V199-F233 HydrophobicContact CG1-CE1 4.35Å; V199-F233 HydrophobicContact CG1-CE2 3.8Å; V199-F233 HydrophobicContact CG1-CZ 3.63Å; V199-F233 HydrophobicContact CG2-CD2 3.78Å; V199-F233 HydrophobicContact CG2-CE2 3.6Å; V199-F233 HydrophobicContact CG2-CZ 4.25Å; L209-F233 HydrophobicContact CD1-CZ 4.04Å; F233-I254 HydrophobicContact CE1-CD1 3.84Å
234	F	98.6	Very high	98.5	Very high	43 Å²	43	31.4 Å²	31.4	19%	0.189	18%	0.175	C	C	.	.			trans	-71.5	148.4	165.5	-170.6	-98.9	0	0	0	109.9	S236 G237 A239 F251 F277 G281	F234-S236 WeakPolarHBondContact CD1-OG 3.36Å; F234-S236 PolarHBondContact O-N 2.59Å; F234-G237 PolarHBondContact O-N 3.14Å; F234-A239 HydrophobicContact CB-CB 3.91Å; F234-A239 WeakPolarHBondContact CB-O 3.24Å; F234-A239 HydrophobicContact CG-CB 4.4Å; F234-A239 PolarHBondContact N-O 3.1Å; F234-F251 HydrophobicContact CB-CE2 4.16Å; F234-F251 AromaticContact CD2-CE2 3.83Å; F234-F251 HydrophobicContact CD2-CE2 3.83Å; F234-F251 AromaticContact CD2-CZ 3.59Å; F234-F251 HydrophobicContact CD2-CZ 3.59Å; F234-F251 AromaticContact CE2-CZ 3.93Å; F234-F251 HydrophobicContact CE2-CZ 3.93Å; F234-F251 HydrophobicContact CG-CE2 4.19Å; F234-F251 HydrophobicContact CG-CZ 4.09Å; F234-F277 HydrophobicContact CB-CD2 4.42Å; F234-F277 HydrophobicContact CB-CE2 4.09Å; F234-F277 AromaticContact CD2-CD1 3.92Å; F234-F277 HydrophobicContact CD2-CD1 3.92Å; F234-F277 HydrophobicContact CD2-CD2 4.09Å; F234-F277 AromaticContact CD2-CE1 3.72Å; F234-F277 HydrophobicContact CD2-CE1 3.72Å; F234-F277 AromaticContact CD2-CE2 3.89Å; F234-F277 HydrophobicContact CD2-CE2 3.89Å; F234-F277 HydrophobicContact CD2-CG 4.09Å; F234-F277 AromaticContact CD2-CZ 3.69Å; F234-F277 HydrophobicContact CD2-CZ 3.69Å; F234-F277 HydrophobicContact CE2-CD1 4.19Å; F234-F277 HydrophobicContact CE2-CE1 4.12Å; F234-F277 HydrophobicContact CG-CE2 4.5Å; F234-G281 WeakPolarHBondContact CE2-O 3.4Å
235	P	97.8	Very high	98.5	Very high	60 Å²	60	33.9 Å²	33.9	39%	0.39	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.8	-174.5	-30.1	36.4	0	0	0	116	G237 F277	P235-G237 VanDerWaalsContact C-N 3.32Å; P235-F277 HydrophobicContact CG-CB 4.42Å
236	S	97.4	Very high	98.5	Very high	68 Å²	68	27.3 Å²	27.3	48%	0.476	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-13.9	176.7	71.8	0	0	0	0	114.3	F234 L238	F234-S236 WeakPolarHBondContact CD1-OG 3.36Å; F234-S236 PolarHBondContact O-N 2.59Å; S236-L238 PolarHBondContact O-N 3.42Å; S236-L238 PolarHBondContact OG-N 3.06Å
237	G	97.8	Very high	98.5	Very high	17 Å²	17	26 Å²	26	18%	0.175	15%	0.151	C	C	.	.	S	Bend	trans	76	1.4	-173.9	0	0	0	0	0	115.2	F234 P235 I254	F234-G237 PolarHBondContact O-N 3.14Å; P235-G237 VanDerWaalsContact C-N 3.32Å; G237-I254 WeakPolarHBondContact O-CD1 3.38Å
238	L	98.2	Very high	98.5	Very high	86 Å²	86	24.2 Å²	24.2	45%	0.45	14%	0.142	S	C	.	.	S	Bend	trans	-96.3	-7.2	-176.4	-59.6	177.3	0	0	0	114.1	S236 I254	S236-L238 PolarHBondContact O-N 3.42Å; S236-L238 PolarHBondContact OG-N 3.06Å; L238-I254 WeakPolarHBondContact O-CB 3.3Å; L238-I254 WeakPolarHBondContact O-CG1 3.28Å; L238-I254 PolarHBondContact O-N 3.18Å
239	A	98.5	Very high	98.5	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.041	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	168.5	-176.2	0	0	0	0	0	109.5	F234 F251 F252	F234-A239 HydrophobicContact CB-CB 3.91Å; F234-A239 WeakPolarHBondContact CB-O 3.24Å; F234-A239 HydrophobicContact CG-CB 4.4Å; F234-A239 PolarHBondContact N-O 3.1Å; A239-F251 HydrophobicContact CB-CD2 4.37Å; A239-F251 HydrophobicContact CB-CE2 3.5Å; A239-F251 VanDerWaalsContact CB-CE2 3.5Å; A239-F251 HydrophobicContact CB-CZ 3.85Å; A239-F252 CarbonylContact C-O 3.51Å; A239-F252 WeakPolarHBondContact CA-O 3.16Å; A239-F252 WeakPolarHBondContact CB-O 3.13Å
240	F	98.8	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	153.4	176.1	63.6	-88.8	0	0	0	110.8	V199 A207 F221 I231 I232 T242 F251 F252 I254	V199-F240 HydrophobicContact CG1-CD1 4.01Å; V199-F240 HydrophobicContact CG1-CE1 4.25Å; V199-F240 HydrophobicContact CG1-CG 4.27Å; V199-F240 HydrophobicContact CG2-CB 4.34Å; V199-F240 HydrophobicContact CG2-CG 4.37Å; A207-F240 HydrophobicContact CB-CE2 3.83Å; A207-F240 HydrophobicContact CB-CZ 4.18Å; F221-F240 HydrophobicContact CB-CZ 4.08Å; F221-F240 HydrophobicContact CD1-CE1 4.25Å; F221-F240 HydrophobicContact CD1-CZ 4.02Å; F221-F240 AromaticContact CD2-CE1 3.79Å; F221-F240 HydrophobicContact CD2-CE1 3.79Å; F221-F240 AromaticContact CD2-CZ 3.43Å; F221-F240 HydrophobicContact CD2-CZ 3.43Å; F221-F240 VanDerWaalsContact CD2-CZ 3.43Å; F221-F240 HydrophobicContact CE1-CE1 4.07Å; F221-F240 HydrophobicContact CE1-CZ 4.3Å; F221-F240 AromaticContact CE2-CE1 3.6Å; F221-F240 HydrophobicContact CE2-CE1 3.6Å; F221-F240 AromaticContact CE2-CZ 3.78Å; F221-F240 HydrophobicContact CE2-CZ 3.78Å; F221-F240 HydrophobicContact CG-CE1 4.12Å; F221-F240 AromaticContact CG-CZ 3.57Å; F221-F240 HydrophobicContact CG-CZ 3.57Å; F221-F240 AromaticContact CZ-CE1 3.76Å; F221-F240 HydrophobicContact CZ-CE1 3.76Å; F221-F240 HydrophobicContact CZ-CZ 4.21Å; I231-F240 HydrophobicContact CD1-CD2 3.82Å; I231-F240 HydrophobicContact CD1-CE2 3.95Å; I231-F240 HydrophobicContact CG1-CD2 3.91Å; I231-F240 HydrophobicContact CG1-CE2 4.48Å; I232-F240 CarbonylContact O-C 3.46Å; I232-F240 WeakPolarHBondContact O-CA 3.44Å; I232-F240 VanDerWaalsContact O-CB 3.24Å; I232-F240 WeakPolarHBondContact O-CB 3.14Å; F240-T242 HydrophobicContact CD2-CG2 4.09Å; F240-T242 HydrophobicContact CE2-CG2 3.96Å; F240-F251 WeakPolarHBondContact O-CD2 3.21Å; F240-F252 HydrophobicContact CD1-CB 4.17Å; F240-F252 HydrophobicContact CD2-CB 4.26Å; F240-F252 HydrophobicContact CD2-CD2 4.21Å; F240-F252 HydrophobicContact CE1-CB 3.63Å; F240-F252 HydrophobicContact CE1-CG 4.47Å; F240-F252 HydrophobicContact CE2-CB 3.74Å; F240-F252 AromaticContact CE2-CD2 3.52Å; F240-F252 HydrophobicContact CE2-CD2 3.52Å; F240-F252 HydrophobicContact CE2-CE2 4.4Å; F240-F252 AromaticContact CE2-CG 3.86Å; F240-F252 HydrophobicContact CE2-CG 3.86Å; F240-F252 HydrophobicContact CG-CB 4.45Å; F240-F252 HydrophobicContact CZ-CB 3.39Å; F240-F252 AromaticContact CZ-CD2 3.93Å; F240-F252 HydrophobicContact CZ-CD2 3.93Å; F240-F252 AromaticContact CZ-CG 3.75Å; F240-F252 HydrophobicContact CZ-CG 3.75Å; F240-F252 PolarHBondContact N-O 3.38Å; F240-F252 PolarHBondContact O-N 3.13Å; F240-I254 HydrophobicContact CD1-CG1 4.23Å; F240-I254 HydrophobicContact CE1-CG1 4.35Å
241	A	98.8	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	155	173	0	0	0	0	0	111.5	I231 I232 R250 F277 L284	I231-A241 CarbonylContact C-O 3.57Å; I231-A241 WeakPolarHBondContact CA-O 3.38Å; I232-A241 HydrophobicContact CG2-CB 4.1Å; I232-A241 PolarHBondContact N-O 3.11Å; I232-A241 PolarHBondContact O-N 3.36Å; A241-R250 CarbonylContact C-O 3.58Å; A241-R250 WeakPolarHBondContact CA-O 3.23Å; A241-F277 HydrophobicContact CB-CE1 4.45Å; A241-F277 HydrophobicContact CB-CE2 3.55Å; A241-F277 HydrophobicContact CB-CZ 3.44Å; A241-F277 VanDerWaalsContact CB-CZ 3.44Å; A241-L284 HydrophobicContact CB-CD1 3.76Å; A241-L284 HydrophobicContact CB-CD2 4.09Å
242	T	98.9	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.3	179	43.8	0	0	0	0	109.5	A207 H224 I228 A230 I231 F240 C249 R250 F252	A207-T242 HydrophobicContact CB-CG2 4.25Å; H224-T242 PolarHBondContact NE2-OG1 2.88Å; I228-T242 HydrophobicContact CD1-CG2 4.44Å; I228-T242 HydrophobicContact CG2-CG2 3.86Å; A230-T242 CarbonylContact O-C 3.56Å; A230-T242 VanDerWaalsContact O-CA 3.25Å; A230-T242 WeakPolarHBondContact O-CA 3.47Å; I231-T242 HydrophobicContact CB-CG2 4.27Å; I231-T242 HydrophobicContact CD1-CG2 3.82Å; I231-T242 HydrophobicContact CG1-CG2 3.72Å; F240-T242 HydrophobicContact CD2-CG2 4.09Å; F240-T242 HydrophobicContact CE2-CG2 3.96Å; T242-C249 CarbonylContact O-C 3.51Å; T242-C249 WeakPolarHBondContact O-CA 3.23Å; T242-C249 VanDerWaalsContact O-CB 3.3Å; T242-C249 WeakPolarHBondContact O-CB 3.35Å; T242-R250 PolarHBondContact N-O 3.19Å; T242-R250 PolarHBondContact O-N 3.04Å; T242-R250 PolarHBondContact OG1-O 3.36Å; T242-F252 HydrophobicContact CG2-CD2 4.42Å; T242-F252 HydrophobicContact CG2-CE2 4.27Å; T242-F252 WeakPolarHBondContact OG1-CE2 3.38Å
243	G	98.8	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.1	171.2	0	0	0	0	0	109.8	N229 A230	N229-G243 PolarHBondContact N-O 3.46Å; A230-G243 PolarHBondContact N-O 3.38Å; A230-G243 PolarHBondContact O-N 3.28Å
244	S	98.8	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	164.4	-170.1	176.7	0	0	0	0	113.2	H224 S226 D227 D246 A247 T248 I272	H224-S244 WeakPolarHBondContact CE1-CB 3.18Å; H224-S244 WeakPolarHBondContact ND1-CB 3.46Å; S226-S244 PolarHBondContact O-OG 3.17Å; D227-S244 CarbonylContact O-C 3.56Å; D227-S244 WeakPolarHBondContact O-CA 3.26Å; D227-S244 WeakPolarHBondContact O-CB 3.24Å; D227-S244 PolarHBondContact O-OG 2.84Å; S244-D246 WeakPolarHBondContact CB-OD1 3.06Å; S244-D246 PolarHBondContact O-N 3.4Å; S244-D246 PolarHBondContact OG-N 3.39Å; S244-A247 PolarHBondContact O-N 3.49Å; S244-T248 PolarHBondContact N-O 2.86Å; S244-I272 PolarHBondContact O-N 3.04Å
245	D	98.6	Very high	98.2	Very high	67 Å²	67	31.5 Å²	31.5	36%	0.358	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11	168.5	-79.1	-18.3	0	0	0	113.8	D227 N229 A247	D227-D245 PolarHBondContact O-N 3.37Å; N229-D245 VanDerWaalsContact ND2-CG 3.3Å; N229-D245 PolarHBondContact ND2-OD1 2.99Å; D245-A247 PolarHBondContact O-N 2.88Å; D245-A247 VanDerWaalsContact O-N 3.12Å
246	D	98.2	Very high	98.1	Very high	32 Å²	32	30.5 Å²	30.5	17%	0.171	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	10.9	169.8	73.6	9.5	0	0	0	113.9	H224 E225 S244 T248 R250	H224-D246 WeakPolarHBondContact CA-OD2 3.34Å; H224-D246 IonicContact CE1-OD1 3.09Å; H224-D246 IonicContact CE1-OD2 2.82Å; H224-D246 IonicContact CG-OD2 3.53Å; H224-D246 VanDerWaalsContact ND1-CG 3.35Å; H224-D246 IonicContact ND1-OD1 3.3Å; H224-D246 PolarHBondContact ND1-OD1 3.09Å; H224-D246 IonicContact ND1-OD2 2.7Å; H224-D246 PolarHBondContact ND1-OD2 2.95Å; E225-D246 HydrophobicContact CB-CB 4.06Å; E225-D246 PolarHBondContact N-OD2 3.03Å; S244-D246 WeakPolarHBondContact CB-OD1 3.06Å; S244-D246 PolarHBondContact O-N 3.4Å; S244-D246 PolarHBondContact OG-N 3.39Å; D246-T248 VanDerWaalsContact CG-OG1 3.31Å; D246-T248 PolarHBondContact O-N 2.86Å; D246-T248 WeakPolarHBondContact OD1-CB 3.12Å; D246-T248 PolarHBondContact OD1-N 2.92Å; D246-T248 PolarHBondContact OD1-OG1 3.25Å; D246-T248 PolarHBondContact OD2-OG1 3.47Å; D246-R250 IonicContact OD2-NH2 3.63Å
247	A	98.3	Very high	98	Very high	12 Å²	12	29.5 Å²	29.5	10%	0.099	15%	0.152	C	C	.	.	S	Bend	trans	62.3	12.4	-178.2	0	0	0	0	0	115.2	S244 D245 I268 C270	S244-A247 PolarHBondContact O-N 3.49Å; D245-A247 PolarHBondContact O-N 2.88Å; D245-A247 VanDerWaalsContact O-N 3.12Å; A247-I268 HydrophobicContact CB-CG2 4.43Å; A247-I268 WeakPolarHBondContact CB-O 3.35Å; A247-C270 WeakPolarHBondContact CA-O 3.5Å; A247-C270 WeakPolarHBondContact CB-O 3.41Å
248	T	98.4	Very high	97.8	Very high	16 Å²	16	30.2 Å²	30.2	10%	0.098	15%	0.151	C	C	.	.			trans	-110.6	143.8	177.3	75.5	0	0	0	0	112.5	H224 S244 D246 M262 I272	H224-T248 PolarHBondContact CE1-O 3.06Å; H224-T248 PolarHBondContact CE1-OG1 2.86Å; H224-T248 PolarHBondContact ND1-OG1 2.6Å; S244-T248 PolarHBondContact N-O 2.86Å; D246-T248 VanDerWaalsContact CG-OG1 3.31Å; D246-T248 PolarHBondContact O-N 2.86Å; D246-T248 WeakPolarHBondContact OD1-CB 3.12Å; D246-T248 PolarHBondContact OD1-N 2.92Å; D246-T248 PolarHBondContact OD1-OG1 3.25Å; D246-T248 PolarHBondContact OD2-OG1 3.47Å; T248-M262 HydrophobicContact CG2-CG 4.4Å; T248-M262 HydrophobicContact CG2-SD 4.23Å; T248-I272 WeakPolarHBondContact O-CD1 3.35Å
249	C	98.6	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	139.5	156.7	-59.8	0	0	0	0	108.9	T242 F263 I272 L284	T242-C249 CarbonylContact O-C 3.51Å; T242-C249 WeakPolarHBondContact O-CA 3.23Å; T242-C249 VanDerWaalsContact O-CB 3.3Å; T242-C249 WeakPolarHBondContact O-CB 3.35Å; C249-F263 HydrophobicContact CB-CB 4.14Å; C249-F263 HydrophobicContact CB-CD2 3.95Å; C249-F263 PolarHBondContact N-O 2.8Å; C249-F263 PolarHBondContact O-N 3.13Å; C249-I272 WeakPolarHBondContact SG-CD1 3.35Å; C249-L284 HydrophobicContact CB-CD2 3.89Å
250	R	98.5	Very high	97.6	Very high	24 Å²	24	31 Å²	31	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.9	175.1	-68.2	176.4	-170.1	-134.3	11.5	111.5	G223 H224 A241 T242 D246 F252 E259 M262	G223-R250 VanDerWaalsContact C-NH2 3.33Å; G223-R250 PolarHBondContact O-NH1 3.44Å; G223-R250 PolarHBondContact O-NH2 3.22Å; H224-R250 VanDerWaalsContact CE1-CD 3.46Å; H224-R250 WeakPolarHBondContact CE1-CD 3.3Å; H224-R250 PolarHBondContact ND1-NE 3Å; H224-R250 WeakPolarHBondContact NE2-CD 3.33Å; A241-R250 CarbonylContact C-O 3.58Å; A241-R250 WeakPolarHBondContact CA-O 3.23Å; T242-R250 PolarHBondContact N-O 3.19Å; T242-R250 PolarHBondContact O-N 3.04Å; T242-R250 PolarHBondContact OG1-O 3.36Å; D246-R250 IonicContact OD2-NH2 3.63Å; R250-F252 HydrophobicContact CB-CD2 4.23Å; R250-F252 HydrophobicContact CB-CE2 3.5Å; R250-F252 HydrophobicContact CB-CZ 3.92Å; R250-E259 HydrophobicContact CB-CG 4.26Å; R250-E259 VanDerWaalsContact CD-OE2 3.29Å; R250-E259 WeakPolarHBondContact CD-OE2 3.2Å; R250-E259 HydrophobicContact CG-CG 4.47Å; R250-E259 IonicContact CZ-OE2 2.76Å; R250-E259 IonicContact NE-OE2 3.36Å; R250-E259 IonicContact NH1-OE2 3.93Å; R250-E259 PolarHBondContact NH1-OE2 2.92Å; R250-M262 HydrophobicContact CG-CG 4.47Å
251	F	98.4	Very high	97.5	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.053	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.4	178	-167.4	-157	0	0	0	109.6	L29 F234 A239 F240 E259 I260 G261 F263 F277	L29-F251 HydrophobicContact CD2-CD1 3.9Å; L29-F251 HydrophobicContact CD2-CE1 4.15Å; F234-F251 HydrophobicContact CB-CE2 4.16Å; F234-F251 AromaticContact CD2-CE2 3.83Å; F234-F251 HydrophobicContact CD2-CE2 3.83Å; F234-F251 AromaticContact CD2-CZ 3.59Å; F234-F251 HydrophobicContact CD2-CZ 3.59Å; F234-F251 AromaticContact CE2-CZ 3.93Å; F234-F251 HydrophobicContact CE2-CZ 3.93Å; F234-F251 HydrophobicContact CG-CE2 4.19Å; F234-F251 HydrophobicContact CG-CZ 4.09Å; A239-F251 HydrophobicContact CB-CD2 4.37Å; A239-F251 HydrophobicContact CB-CE2 3.5Å; A239-F251 VanDerWaalsContact CB-CE2 3.5Å; A239-F251 HydrophobicContact CB-CZ 3.85Å; F240-F251 WeakPolarHBondContact O-CD2 3.21Å; F251-E259 CarbonylContact O-C 3.53Å; F251-E259 WeakPolarHBondContact O-CA 3.15Å; F251-I260 HydrophobicContact CB-CG1 4.23Å; F251-I260 HydrophobicContact CD1-CD1 3.57Å; F251-I260 HydrophobicContact CD1-CG1 3.8Å; F251-I260 HydrophobicContact CE1-CD1 3.63Å; F251-I260 HydrophobicContact CE1-CG1 4.37Å; F251-I260 HydrophobicContact CG-CD1 4.11Å; F251-I260 HydrophobicContact CG-CG1 4.01Å; F251-I260 HydrophobicContact CZ-CD1 4.22Å; F251-I260 VanDerWaalsContact O-CG1 3.31Å; F251-I260 WeakPolarHBondContact O-CG1 3.27Å; F251-I260 PolarHBondContact O-N 2.89Å; F251-G261 PolarHBondContact N-O 2.94Å; F251-G261 PolarHBondContact O-N 2.9Å; F251-F263 HydrophobicContact CB-CE2 3.92Å; F251-F263 HydrophobicContact CB-CZ 4.42Å; F251-F277 AromaticContact CD2-CZ 3.86Å; F251-F277 HydrophobicContact CD2-CZ 3.86Å; F251-F277 HydrophobicContact CE2-CE1 4.36Å; F251-F277 HydrophobicContact CE2-CE2 4.36Å; F251-F277 AromaticContact CE2-CZ 3.62Å; F251-F277 HydrophobicContact CE2-CZ 3.62Å; F251-F277 HydrophobicContact CZ-CZ 4.26Å
252	F	98.4	Very high	97.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.7	-176.2	-67.3	-86	0	0	0	110.7	F221 A239 F240 T242 R250 E259	F221-F252 HydrophobicContact CB-CD1 3.9Å; F221-F252 HydrophobicContact CB-CE1 4.01Å; F221-F252 HydrophobicContact CB-CG 4.37Å; F221-F252 HydrophobicContact CD1-CB 4.15Å; F221-F252 AromaticContact CD1-CD1 3.87Å; F221-F252 HydrophobicContact CD1-CD1 3.87Å; F221-F252 HydrophobicContact CD1-CG 4.28Å; F221-F252 HydrophobicContact CG-CD1 4.24Å; A239-F252 CarbonylContact C-O 3.51Å; A239-F252 WeakPolarHBondContact CA-O 3.16Å; A239-F252 WeakPolarHBondContact CB-O 3.13Å; F240-F252 HydrophobicContact CD1-CB 4.17Å; F240-F252 HydrophobicContact CD2-CB 4.26Å; F240-F252 HydrophobicContact CD2-CD2 4.21Å; F240-F252 HydrophobicContact CE1-CB 3.63Å; F240-F252 HydrophobicContact CE1-CG 4.47Å; F240-F252 HydrophobicContact CE2-CB 3.74Å; F240-F252 AromaticContact CE2-CD2 3.52Å; F240-F252 HydrophobicContact CE2-CD2 3.52Å; F240-F252 HydrophobicContact CE2-CE2 4.4Å; F240-F252 AromaticContact CE2-CG 3.86Å; F240-F252 HydrophobicContact CE2-CG 3.86Å; F240-F252 HydrophobicContact CG-CB 4.45Å; F240-F252 HydrophobicContact CZ-CB 3.39Å; F240-F252 AromaticContact CZ-CD2 3.93Å; F240-F252 HydrophobicContact CZ-CD2 3.93Å; F240-F252 AromaticContact CZ-CG 3.75Å; F240-F252 HydrophobicContact CZ-CG 3.75Å; F240-F252 PolarHBondContact N-O 3.38Å; F240-F252 PolarHBondContact O-N 3.13Å; T242-F252 HydrophobicContact CG2-CD2 4.42Å; T242-F252 HydrophobicContact CG2-CE2 4.27Å; T242-F252 WeakPolarHBondContact OG1-CE2 3.38Å; R250-F252 HydrophobicContact CB-CD2 4.23Å; R250-F252 HydrophobicContact CB-CE2 3.5Å; R250-F252 HydrophobicContact CB-CZ 3.92Å; F252-E259 HydrophobicContact CD1-CB 3.95Å; F252-E259 HydrophobicContact CE1-CB 3.7Å; F252-E259 HydrophobicContact CE1-CG 4.35Å; F252-E259 HydrophobicContact CZ-CB 4.36Å
253	D	97.6	Very high	97.3	Very high	32 Å²	32	34.9 Å²	34.9	17%	0.171	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.8	170.9	-177.5	-73	0	0	0	109.9	R255 A256 D257 Q258 I260	D253-R255 WeakPolarHBondContact OD1-CA 3.29Å; D253-R255 WeakPolarHBondContact OD1-CB 3.39Å; D253-R255 PolarHBondContact OD1-N 3.05Å; D253-A256 HydrophobicContact CB-CB 3.86Å; D253-A256 PolarHBondContact OD1-N 3.09Å; D253-D257 PolarHBondContact O-N 2.91Å; D253-D257 VanDerWaalsContact O-N 3.09Å; D253-Q258 PolarHBondContact N-O 2.77Å; D253-Q258 VanDerWaalsContact N-O 3.12Å; D253-I260 HydrophobicContact CB-CD1 4.13Å; D253-I260 HydrophobicContact CB-CG1 4.43Å; D253-I260 HydrophobicContact CB-CG2 3.79Å
254	I	97.4	Very high	97.2	Very high	27 Å²	27	37.3 Å²	37.3	14%	0.138	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-38.7	-174.9	-70.1	173.8	0	0	0	111.2	L209 Q219 F221 F233 G237 L238 F240 D257	L209-I254 HydrophobicContact CD1-CD1 4.44Å; L209-I254 HydrophobicContact CD2-CD1 4.43Å; L209-I254 HydrophobicContact CD2-CG2 3.91Å; Q219-I254 PolarHBondContact NE2-O 3.42Å; Q219-I254 PolarHBondContact OE1-O 3.33Å; F221-I254 HydrophobicContact CZ-CG1 4.43Å; F233-I254 HydrophobicContact CE1-CD1 3.84Å; G237-I254 WeakPolarHBondContact O-CD1 3.38Å; L238-I254 WeakPolarHBondContact O-CB 3.3Å; L238-I254 WeakPolarHBondContact O-CG1 3.28Å; L238-I254 PolarHBondContact O-N 3.18Å; F240-I254 HydrophobicContact CD1-CG1 4.23Å; F240-I254 HydrophobicContact CE1-CG1 4.35Å; I254-D257 PolarHBondContact O-N 2.76Å
255	R	96	Very high	97	Very high	201 Å²	201	40.4 Å²	40.4	76%	0.758	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-32.5	-177.6	-59.7	-172.2	-59.4	161.8	3.6	111.8	D253	D253-R255 WeakPolarHBondContact OD1-CA 3.29Å; D253-R255 WeakPolarHBondContact OD1-CB 3.39Å; D253-R255 PolarHBondContact OD1-N 3.05Å
256	A	94.8	Very high	96.6	Very high	40 Å²	40	44.5 Å²	44.5	33%	0.331	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.7	174.2	0	0	0	0	0	112.6	D253 Q258	D253-A256 HydrophobicContact CB-CB 3.86Å; D253-A256 PolarHBondContact OD1-N 3.09Å; A256-Q258 HydrophobicContact CB-CG 3.95Å; A256-Q258 WeakPolarHBondContact O-CG 3.35Å; A256-Q258 PolarHBondContact O-N 2.91Å
257	D	95.9	Very high	96.3	Very high	47 Å²	47	49.6 Å²	49.6	25%	0.251	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	27.3	-177.8	-161.7	46.3	0	0	0	112.7	R21 Q219 D253 I254	R21-D257 IonicContact NH1-OD2 2.86Å; Q219-D257 PolarHBondContact NE2-OD1 3.5Å; D253-D257 PolarHBondContact O-N 2.91Å; D253-D257 VanDerWaalsContact O-N 3.09Å; I254-D257 PolarHBondContact O-N 2.76Å
258	Q	94.4	Very high	96.1	Very high	32 Å²	32	49.7 Å²	49.7	15%	0.15	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	168.9	-174.2	67.3	-171.3	-27.9	0	0	112.9	D253 A256	D253-Q258 PolarHBondContact N-O 2.77Å; D253-Q258 VanDerWaalsContact N-O 3.12Å; A256-Q258 HydrophobicContact CB-CG 3.95Å; A256-Q258 WeakPolarHBondContact O-CG 3.35Å; A256-Q258 PolarHBondContact O-N 2.91Å
259	E	96.1	Very high	95.9	Very high	60 Å²	60	56.4 Å²	56.4	28%	0.28	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.5	171.8	-171.9	-170.3	137.1	0	0	110.6	R250 F251 F252 M262	R250-E259 HydrophobicContact CB-CG 4.26Å; R250-E259 VanDerWaalsContact CD-OE2 3.29Å; R250-E259 WeakPolarHBondContact CD-OE2 3.2Å; R250-E259 HydrophobicContact CG-CG 4.47Å; R250-E259 IonicContact CZ-OE2 2.76Å; R250-E259 IonicContact NE-OE2 3.36Å; R250-E259 IonicContact NH1-OE2 3.93Å; R250-E259 PolarHBondContact NH1-OE2 2.92Å; F251-E259 CarbonylContact O-C 3.53Å; F251-E259 WeakPolarHBondContact O-CA 3.15Å; F252-E259 HydrophobicContact CD1-CB 3.95Å; F252-E259 HydrophobicContact CE1-CB 3.7Å; F252-E259 HydrophobicContact CE1-CG 4.35Å; F252-E259 HydrophobicContact CZ-CB 4.36Å; E259-M262 WeakPolarHBondContact OE1-CB 3.41Å
260	I	96	Very high	95.9	Very high	47 Å²	47	57.7 Å²	57.7	24%	0.241	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-10.7	176.9	58.7	163	0	0	0	113	L29 F251 D253	L29-I260 WeakPolarHBondContact CB-O 3.32Å; L29-I260 HydrophobicContact CD2-CD1 4.4Å; F251-I260 HydrophobicContact CB-CG1 4.23Å; F251-I260 HydrophobicContact CD1-CD1 3.57Å; F251-I260 HydrophobicContact CD1-CG1 3.8Å; F251-I260 HydrophobicContact CE1-CD1 3.63Å; F251-I260 HydrophobicContact CE1-CG1 4.37Å; F251-I260 HydrophobicContact CG-CD1 4.11Å; F251-I260 HydrophobicContact CG-CG1 4.01Å; F251-I260 HydrophobicContact CZ-CD1 4.22Å; F251-I260 VanDerWaalsContact O-CG1 3.31Å; F251-I260 WeakPolarHBondContact O-CG1 3.27Å; F251-I260 PolarHBondContact O-N 2.89Å; D253-I260 HydrophobicContact CB-CD1 4.13Å; D253-I260 HydrophobicContact CB-CG1 4.43Å; D253-I260 HydrophobicContact CB-CG2 3.79Å
261	G	96.1	Very high	95.8	Very high	4 Å²	4	56.8 Å²	56.8	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	150.7	174.8	0	0	0	0	0	113.8	F251 Q301	F251-G261 PolarHBondContact N-O 2.94Å; F251-G261 PolarHBondContact O-N 2.9Å; G261-Q301 VanDerWaalsContact CA-NE2 3.33Å
262	M	97.4	Very high	95.8	Very high	77 Å²	77	56.2 Å²	56.2	38%	0.379	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131	178.2	-170.9	174.5	64.2	0	0	109.3	T248 R250 E259 Q301	T248-M262 HydrophobicContact CG2-CG 4.4Å; T248-M262 HydrophobicContact CG2-SD 4.23Å; R250-M262 HydrophobicContact CG-CG 4.47Å; E259-M262 WeakPolarHBondContact OE1-CB 3.41Å; M262-Q301 PolarHBondContact O-OE1 2.79Å
263	F	97.7	Very high	95.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.6	176.7	-48	-83	0	0	0	108.8	C249 F251 L284 W296 T298 Q301	C249-F263 HydrophobicContact CB-CB 4.14Å; C249-F263 HydrophobicContact CB-CD2 3.95Å; C249-F263 PolarHBondContact N-O 2.8Å; C249-F263 PolarHBondContact O-N 3.13Å; F251-F263 HydrophobicContact CB-CE2 3.92Å; F251-F263 HydrophobicContact CB-CZ 4.42Å; F263-L284 HydrophobicContact CD2-CD2 3.44Å; F263-L284 VanDerWaalsContact CD2-CD2 3.44Å; F263-L284 HydrophobicContact CE2-CD2 3.43Å; F263-L284 VanDerWaalsContact CE2-CD2 3.43Å; F263-L284 HydrophobicContact CG-CD2 4.21Å; F263-L284 HydrophobicContact CZ-CD2 4.25Å; F263-W296 HydrophobicContact CB-CB 4.47Å; F263-W296 HydrophobicContact CB-CD2 3.76Å; F263-W296 HydrophobicContact CB-CE3 3.94Å; F263-W296 HydrophobicContact CB-CG 3.98Å; F263-W296 HydrophobicContact CB-CZ3 4.42Å; F263-W296 HydrophobicContact CD1-CB 3.82Å; F263-W296 HydrophobicContact CD1-CD2 4.47Å; F263-W296 HydrophobicContact CD1-CE3 4.43Å; F263-W296 HydrophobicContact CD1-CG 4.24Å; F263-W296 HydrophobicContact CE1-CB 4.36Å; F263-W296 HydrophobicContact CG-CB 4.23Å; F263-W296 HydrophobicContact CG-CD2 4.44Å; F263-W296 HydrophobicContact CG-CG 4.25Å; F263-T298 HydrophobicContact CZ-CG2 4.34Å; F263-Q301 HydrophobicContact CD1-CB 4.17Å; F263-Q301 HydrophobicContact CD1-CG 4.3Å; F263-Q301 HydrophobicContact CE1-CB 4.22Å; F263-Q301 HydrophobicContact CE1-CG 3.93Å
264	S	96	Very high	95.9	Very high	52 Å²	52	56.4 Å²	56.4	36%	0.364	29%	0.293	S	S	.	.			trans	-147.8	164.1	-178.4	62.3	0	0	0	0	109.6
265	H	93.5	Very high	96	Very high	64 Å²	64	55.6 Å²	55.6	30%	0.296	29%	0.289	S	S	.	.			trans	-153	134.9	174.8	-177.1	-65.9	0	0	0	108.1	N267 I268 W296 R303	H265-N267 PolarHBondContact ND1-N 2.85Å; H265-N267 PolarHBondContact O-N 3.25Å; H265-I268 HydrophobicContact CB-CD1 3.91Å; H265-I268 HydrophobicContact CB-CG1 4.1Å; H265-I268 WeakPolarHBondContact O-CB 3.41Å; H265-I268 PolarHBondContact O-N 3.23Å; H265-W296 HydrophobicContact CB-CH2 3.88Å; H265-R303 PolarHBondContact NE2-NH2 3.31Å
266	D	90.9	Very high	96.1	Very high	154 Å²	154	46.5 Å²	46.5	82%	0.824	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.8	-170	-59.7	-22	0	0	0	114.5	I268	D266-I268 VanDerWaalsContact C-N 3.31Å; D266-I268 PolarHBondContact O-N 2.9Å
267	N	92.5	Very high	96.3	Very high	138 Å²	138	45.2 Å²	45.2	74%	0.738	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-6.2	177.1	-61.8	-16.8	0	0	0	115.1	H265	H265-N267 PolarHBondContact ND1-N 2.85Å; H265-N267 PolarHBondContact O-N 3.25Å
268	I	93.8	Very high	96.4	Very high	15 Å²	15	44 Å²	44	8%	0.077	24%	0.239	C	C	.	.			trans	-102.3	108	179.7	-56.6	178.5	0	0	0	107.7	A247 H265 D266 Y288 W296	A247-I268 HydrophobicContact CB-CG2 4.43Å; A247-I268 WeakPolarHBondContact CB-O 3.35Å; H265-I268 HydrophobicContact CB-CD1 3.91Å; H265-I268 HydrophobicContact CB-CG1 4.1Å; H265-I268 WeakPolarHBondContact O-CB 3.41Å; H265-I268 PolarHBondContact O-N 3.23Å; D266-I268 VanDerWaalsContact C-N 3.31Å; D266-I268 PolarHBondContact O-N 2.9Å; I268-Y288 HydrophobicContact CD1-CE1 4.43Å; I268-Y288 HydrophobicContact CG2-CD1 3.69Å; I268-Y288 HydrophobicContact CG2-CE1 3.63Å; I268-W296 HydrophobicContact CD1-CH2 4.13Å; I268-W296 HydrophobicContact CD1-CZ2 3.93Å
269	I	95	Very high	96.6	Very high	156 Å²	156	48.5 Å²	48.5	80%	0.8	26%	0.258	S	S	*	.			trans	-119.2	9.7	-179.6	60.9	168.1	0	0	0	112.5
270	C	96.8	Very high	96.6	Very high	27 Å²	27	49.9 Å²	49.9	18%	0.182	27%	0.274	C	S	.	.	S	Bend	trans	-108.3	153.4	-173.8	65.6	0	0	0	0	110.9	A247 D289	A247-C270 WeakPolarHBondContact CA-O 3.5Å; A247-C270 WeakPolarHBondContact CB-O 3.41Å; C270-D289 HydrophobicContact CB-CB 3.85Å
271	G	97.6	Very high	96.7	Very high	6 Å²	6	47.7 Å²	47.7	6%	0.062	26%	0.264	C	S	.	.			trans	-64.6	154.6	-179	0	0	0	0	0	113.9	D289	G271-D289 PolarHBondContact O-N 3.04Å
272	I	98.7	Very high	96.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.5	173	-64.8	142.5	0	0	0	108.6	N229 S244 T248 C249 V275 G287 Y288	N229-I272 VanDerWaalsContact CB-O 3.28Å; N229-I272 WeakPolarHBondContact CB-O 3.33Å; N229-I272 PolarHBondContact ND2-O 3.04Å; S244-I272 PolarHBondContact O-N 3.04Å; T248-I272 WeakPolarHBondContact O-CD1 3.35Å; C249-I272 WeakPolarHBondContact SG-CD1 3.35Å; I272-V275 HydrophobicContact CG2-CG1 3.87Å; I272-G287 WeakPolarHBondContact CA-O 3.32Å; I272-Y288 HydrophobicContact CD1-CE1 3.77Å; I272-Y288 HydrophobicContact CG1-CD1 3.57Å; I272-Y288 HydrophobicContact CG1-CE1 3.16Å; I272-Y288 HydrophobicContact CG1-CE2 4.37Å; I272-Y288 HydrophobicContact CG1-CG 4.33Å
273	T	98.7	Very high	96.9	Very high	26 Å²	26	48.1 Å²	48.1	16%	0.16	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-26.2	-176.3	63.6	0	0	0	0	113.1	G287 D289 R313 V314	T273-G287 PolarHBondContact N-O 2.58Å; T273-G287 PolarHBondContact OG1-O 3.06Å; T273-D289 WeakPolarHBondContact CG2-OD1 3.46Å; T273-R313 HydrophobicContact CG2-CG 3.92Å; T273-V314 WeakPolarHBondContact CB-O 3.35Å; T273-V314 WeakPolarHBondContact CG2-O 3.5Å; T273-V314 PolarHBondContact OG1-O 3.31Å
274	S	98.6	Very high	96.9	Very high	11 Å²	11	48.1 Å²	48.1	8%	0.077	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	146.2	-169.9	52.1	0	0	0	0	111	A230 G286 G287 L317	A230-S274 VanDerWaalsContact CB-CA 3.49Å; S274-G286 CarbonylContact O-C 3.6Å; S274-G286 WeakPolarHBondContact O-CA 3.41Å; S274-G287 PolarHBondContact O-N 3.3Å; S274-L317 WeakPolarHBondContact OG-CD2 3.49Å
275	V	98.8	Very high	97.1	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.5	178.1	-68	0	0	0	0	111	A230 I232 I272 L284 L285	A230-V275 HydrophobicContact CB-CG1 4.46Å; A230-V275 HydrophobicContact CB-CG2 3.83Å; I232-V275 HydrophobicContact CB-CG2 4.09Å; I232-V275 HydrophobicContact CG2-CB 4.19Å; I232-V275 HydrophobicContact CG2-CG2 3.62Å; I272-V275 HydrophobicContact CG2-CG1 3.87Å; V275-L284 HydrophobicContact CB-CD1 4.25Å; V275-L285 CarbonylContact C-O 3.54Å; V275-L285 VanDerWaalsContact CA-O 3.25Å; V275-L285 WeakPolarHBondContact CA-O 3.23Å
276	A	98.7	Very high	97.3	Very high	9 Å²	9	42.8 Å²	42.8	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	148	170.4	0	0	0	0	0	111.8	L285 L317 V319	A276-L285 PolarHBondContact N-O 3.4Å; A276-L285 WeakPolarHBondContact O-CD1 3.34Å; A276-L285 PolarHBondContact O-N 2.93Å; A276-L317 HydrophobicContact CB-CD1 3.26Å; A276-V319 HydrophobicContact CB-CG2 3.96Å
277	F	98.7	Very high	97.7	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	150.6	171.6	-74.6	-73.9	0	0	0	111.6	I232 F234 P235 A241 F251 L283 L284 T298 V319	I232-F277 HydrophobicContact CG2-CD2 3.83Å; I232-F277 HydrophobicContact CG2-CE2 3.93Å; F234-F277 HydrophobicContact CB-CD2 4.42Å; F234-F277 HydrophobicContact CB-CE2 4.09Å; F234-F277 AromaticContact CD2-CD1 3.92Å; F234-F277 HydrophobicContact CD2-CD1 3.92Å; F234-F277 HydrophobicContact CD2-CD2 4.09Å; F234-F277 AromaticContact CD2-CE1 3.72Å; F234-F277 HydrophobicContact CD2-CE1 3.72Å; F234-F277 AromaticContact CD2-CE2 3.89Å; F234-F277 HydrophobicContact CD2-CE2 3.89Å; F234-F277 HydrophobicContact CD2-CG 4.09Å; F234-F277 AromaticContact CD2-CZ 3.69Å; F234-F277 HydrophobicContact CD2-CZ 3.69Å; F234-F277 HydrophobicContact CE2-CD1 4.19Å; F234-F277 HydrophobicContact CE2-CE1 4.12Å; F234-F277 HydrophobicContact CG-CE2 4.5Å; P235-F277 HydrophobicContact CG-CB 4.42Å; A241-F277 HydrophobicContact CB-CE1 4.45Å; A241-F277 HydrophobicContact CB-CE2 3.55Å; A241-F277 HydrophobicContact CB-CZ 3.44Å; A241-F277 VanDerWaalsContact CB-CZ 3.44Å; F251-F277 AromaticContact CD2-CZ 3.86Å; F251-F277 HydrophobicContact CD2-CZ 3.86Å; F251-F277 HydrophobicContact CE2-CE1 4.36Å; F251-F277 HydrophobicContact CE2-CE2 4.36Å; F251-F277 AromaticContact CE2-CZ 3.62Å; F251-F277 HydrophobicContact CE2-CZ 3.62Å; F251-F277 HydrophobicContact CZ-CZ 4.26Å; F277-L283 CarbonylContact C-O 3.48Å; F277-L283 WeakPolarHBondContact CA-O 3.36Å; F277-L284 HydrophobicContact CD1-CB 4.19Å; F277-L284 HydrophobicContact CD1-CD1 4.14Å; F277-L284 HydrophobicContact CE1-CB 4.01Å; F277-L284 HydrophobicContact CE1-CD1 3.96Å; F277-L284 HydrophobicContact CE1-CG 4.47Å; F277-L284 HydrophobicContact CE2-CD1 4.43Å; F277-L284 HydrophobicContact CG-CD1 4.47Å; F277-L284 HydrophobicContact CZ-CD1 4.12Å; F277-T298 HydrophobicContact CD1-CG2 4.07Å; F277-T298 HydrophobicContact CE1-CG2 3.71Å; F277-V319 VanDerWaalsContact O-CG2 3.26Å; F277-V319 WeakPolarHBondContact O-CG2 3.3Å
278	S	98.6	Very high	98	Very high	20 Å²	20	28.9 Å²	28.9	14%	0.14	16%	0.157	C	C	.	.			trans	-64	162.4	158.5	66.8	0	0	0	0	110.6	S280 G281 R282 L283	S278-S280 PolarHBondContact O-N 3.47Å; S278-S280 VanDerWaalsContact O-N 3.12Å; S278-S280 PolarHBondContact OG-OG 2.72Å; S278-G281 WeakPolarHBondContact O-CA 3.27Å; S278-G281 PolarHBondContact O-N 3.04Å; S278-R282 PolarHBondContact OG-N 3.34Å; S278-L283 PolarHBondContact N-O 2.76Å; S278-L283 PolarHBondContact OG-N 2.78Å; S278-L283 VanDerWaalsContact OG-N 3.16Å
279	K	97.9	Very high	98.2	Very high	128 Å²	128	29.9 Å²	29.9	56%	0.557	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.1	178.7	-175	173.8	-170.8	68.8	0	114	G281 E321 D322	K279-G281 VanDerWaalsContact C-N 3.32Å; K279-E321 PolarHBondContact NZ-O 3.4Å; K279-D322 WeakPolarHBondContact CD-O 3.24Å
280	S	97.8	Very high	98.3	Very high	88 Å²	88	25.3 Å²	25.3	62%	0.615	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-13.7	176.9	62.3	0	0	0	0	113.7	S278 R282	S278-S280 PolarHBondContact O-N 3.47Å; S278-S280 VanDerWaalsContact O-N 3.12Å; S278-S280 PolarHBondContact OG-OG 2.72Å; S280-R282 PolarHBondContact O-N 3.09Å; S280-R282 WeakPolarHBondContact OG-CB 3.47Å; S280-R282 PolarHBondContact OG-N 3.18Å
281	G	97.9	Very high	98.4	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	15%	0.15	C	C	.	.	S	Bend	trans	73	2.1	-170.1	0	0	0	0	0	114.3	F234 S278 K279 L283 T298	F234-G281 WeakPolarHBondContact CE2-O 3.4Å; S278-G281 WeakPolarHBondContact O-CA 3.27Å; S278-G281 PolarHBondContact O-N 3.04Å; K279-G281 VanDerWaalsContact C-N 3.32Å; G281-L283 VanDerWaalsContact C-N 3.3Å; G281-L283 PolarHBondContact O-N 2.9Å; G281-T298 WeakPolarHBondContact O-CB 3.47Å; G281-T298 VanDerWaalsContact O-CG2 3.25Å; G281-T298 WeakPolarHBondContact O-CG2 3.4Å; G281-T298 PolarHBondContact O-OG1 2.81Å
282	R	98.2	Very high	98.4	Very high	58 Å²	58	30 Å²	30	22%	0.219	16%	0.158	C	C	.	.	S	Bend	trans	-70.9	-27	179.8	-176.4	57.9	-174.4	-79.9	-0.8	112.9	E37 V39 S278 S280 D297 T298	E37-R282 PolarHBondContact O-NH2 3.26Å; V39-R282 HydrophobicContact CG1-CG 3.54Å; S278-R282 PolarHBondContact OG-N 3.34Å; S280-R282 PolarHBondContact O-N 3.09Å; S280-R282 WeakPolarHBondContact OG-CB 3.47Å; S280-R282 PolarHBondContact OG-N 3.18Å; R282-D297 IonicContact CZ-OD1 3.88Å; R282-D297 IonicContact CZ-OD2 2.98Å; R282-D297 IonicContact NE-OD1 3.97Å; R282-D297 PolarHBondContact NE-OD1 3.19Å; R282-D297 IonicContact NE-OD2 3.62Å; R282-D297 PolarHBondContact NE-OD2 2.77Å; R282-D297 IonicContact NH2-OD1 3.27Å; R282-D297 IonicContact NH2-OD2 3.48Å; R282-D297 PolarHBondContact NH2-OD2 2.82Å; R282-T298 WeakPolarHBondContact CA-OG1 3.43Å; R282-T298 PolarHBondContact O-N 3.24Å; R282-T298 PolarHBondContact O-OG1 2.88Å; R282-T298 VanDerWaalsContact O-OG1 3.1Å
283	L	98.5	Very high	98.4	Very high	32 Å²	32	30.1 Å²	30.1	17%	0.168	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.6	177.9	-53.4	177.6	0	0	0	109.4	V39 I42 F277 S278 G281 I295 W296	V39-L283 HydrophobicContact CG1-CD2 4.18Å; V39-L283 HydrophobicContact CG2-CD2 4.14Å; I42-L283 HydrophobicContact CG1-CD2 4.43Å; F277-L283 CarbonylContact C-O 3.48Å; F277-L283 WeakPolarHBondContact CA-O 3.36Å; S278-L283 PolarHBondContact N-O 2.76Å; S278-L283 PolarHBondContact OG-N 2.78Å; S278-L283 VanDerWaalsContact OG-N 3.16Å; G281-L283 VanDerWaalsContact C-N 3.3Å; G281-L283 PolarHBondContact O-N 2.9Å; L283-I295 HydrophobicContact CB-CG2 4.03Å; L283-I295 HydrophobicContact CD1-CG2 4.04Å; L283-I295 HydrophobicContact CD2-CG2 4Å; L283-I295 HydrophobicContact CG-CG2 4.25Å; L283-W296 CarbonylContact C-O 3.57Å; L283-W296 VanDerWaalsContact CA-O 3.3Å; L283-W296 WeakPolarHBondContact CA-O 3.24Å
284	L	98.7	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.4	164.9	173.2	66.9	0	0	0	107.8	A241 C249 F263 V275 F277 W296 T298	A241-L284 HydrophobicContact CB-CD1 3.76Å; A241-L284 HydrophobicContact CB-CD2 4.09Å; C249-L284 HydrophobicContact CB-CD2 3.89Å; F263-L284 HydrophobicContact CD2-CD2 3.44Å; F263-L284 VanDerWaalsContact CD2-CD2 3.44Å; F263-L284 HydrophobicContact CE2-CD2 3.43Å; F263-L284 VanDerWaalsContact CE2-CD2 3.43Å; F263-L284 HydrophobicContact CG-CD2 4.21Å; F263-L284 HydrophobicContact CZ-CD2 4.25Å; V275-L284 HydrophobicContact CB-CD1 4.25Å; F277-L284 HydrophobicContact CD1-CB 4.19Å; F277-L284 HydrophobicContact CD1-CD1 4.14Å; F277-L284 HydrophobicContact CE1-CB 4.01Å; F277-L284 HydrophobicContact CE1-CD1 3.96Å; F277-L284 HydrophobicContact CE1-CG 4.47Å; F277-L284 HydrophobicContact CE2-CD1 4.43Å; F277-L284 HydrophobicContact CG-CD1 4.47Å; F277-L284 HydrophobicContact CZ-CD1 4.12Å; L284-W296 HydrophobicContact CB-CB 4.31Å; L284-W296 PolarHBondContact N-O 2.82Å; L284-W296 PolarHBondContact O-N 2.99Å; L284-T298 HydrophobicContact CB-CG2 3.65Å
285	L	98.7	Very high	98.3	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.9	175	-60.5	96.4	0	0	0	108.6	V275 A276 N294 I295 L307 L317 V319 V326	V275-L285 CarbonylContact C-O 3.54Å; V275-L285 VanDerWaalsContact CA-O 3.25Å; V275-L285 WeakPolarHBondContact CA-O 3.23Å; A276-L285 PolarHBondContact N-O 3.4Å; A276-L285 WeakPolarHBondContact O-CD1 3.34Å; A276-L285 PolarHBondContact O-N 2.93Å; L285-N294 WeakPolarHBondContact CA-O 3.47Å; L285-I295 HydrophobicContact CD2-CD1 4.46Å; L285-I295 HydrophobicContact CD2-CG1 4.07Å; L285-I295 HydrophobicContact CG-CG1 4.29Å; L285-L307 HydrophobicContact CD2-CD1 4.3Å; L285-L317 HydrophobicContact CB-CD1 4.18Å; L285-L317 HydrophobicContact CB-CD2 4.47Å; L285-V319 HydrophobicContact CD1-CG2 3.98Å; L285-V326 HydrophobicContact CD2-CB 4.35Å; L285-V326 HydrophobicContact CD2-CG1 3.77Å; L285-V326 HydrophobicContact CD2-CG2 3.81Å
286	G	98.5	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.3	173.7	0	0	0	0	0	110.7	S274 Y288 C293 N294	S274-G286 CarbonylContact O-C 3.6Å; S274-G286 WeakPolarHBondContact O-CA 3.41Å; G286-Y288 VanDerWaalsContact C-CE2 3.47Å; G286-Y288 WeakPolarHBondContact O-CD2 3.48Å; G286-Y288 WeakPolarHBondContact O-CE2 3.31Å; G286-C293 CarbonylContact O-C 3.52Å; G286-C293 WeakPolarHBondContact O-CA 3.38Å; G286-C293 WeakPolarHBondContact O-CB 3.43Å; G286-C293 PolarHBondContact O-SG 2.93Å; G286-N294 PolarHBondContact N-O 2.85Å; G286-N294 PolarHBondContact O-N 2.89Å
287	G	98.6	Very high	98.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.7	172.1	0	0	0	0	0	109.6	I272 T273 S274	I272-G287 WeakPolarHBondContact CA-O 3.32Å; T273-G287 PolarHBondContact N-O 2.58Å; T273-G287 PolarHBondContact OG1-O 3.06Å; S274-G287 PolarHBondContact O-N 3.3Å
288	Y	98.6	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	158.8	-169.9	-68.5	-101.5	0	0	0	111.9	I268 I272 G286 D290 F291 N292 N294 W296 V314	I268-Y288 HydrophobicContact CD1-CE1 4.43Å; I268-Y288 HydrophobicContact CG2-CD1 3.69Å; I268-Y288 HydrophobicContact CG2-CE1 3.63Å; I272-Y288 HydrophobicContact CD1-CE1 3.77Å; I272-Y288 HydrophobicContact CG1-CD1 3.57Å; I272-Y288 HydrophobicContact CG1-CE1 3.16Å; I272-Y288 HydrophobicContact CG1-CE2 4.37Å; I272-Y288 HydrophobicContact CG1-CG 4.33Å; G286-Y288 VanDerWaalsContact C-CE2 3.47Å; G286-Y288 WeakPolarHBondContact O-CD2 3.48Å; G286-Y288 WeakPolarHBondContact O-CE2 3.31Å; Y288-D290 WeakPolarHBondContact CB-OD1 3.36Å; Y288-D290 PolarHBondContact O-N 2.9Å; Y288-F291 PolarHBondContact O-N 2.81Å; Y288-N292 PolarHBondContact N-O 2.83Å; Y288-N294 HydrophobicContact CD2-CB 4.27Å; Y288-N294 WeakPolarHBondContact CD2-ND2 3.42Å; Y288-N294 HydrophobicContact CE2-CB 3.64Å; Y288-N294 WeakPolarHBondContact CE2-ND2 3.19Å; Y288-W296 AromaticContact CZ-NE1 3.99Å; Y288-W296 WeakPolarHBondContact OH-CZ2 3.26Å; Y288-W296 PolarHBondContact OH-NE1 3.41Å; Y288-V314 PolarHBondContact O-N 2.95Å
289	D	98.1	Very high	98.2	Very high	36 Å²	36	28.6 Å²	28.6	19%	0.193	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20	175.8	-86.1	1.8	0	0	0	114.4	C270 G271 T273 F291 R313	C270-D289 HydrophobicContact CB-CB 3.85Å; G271-D289 PolarHBondContact O-N 3.04Å; T273-D289 WeakPolarHBondContact CG2-OD1 3.46Å; D289-F291 WeakPolarHBondContact O-CD1 3.31Å; D289-F291 WeakPolarHBondContact O-CE1 3.5Å; D289-F291 PolarHBondContact O-N 2.93Å; D289-R313 VanDerWaalsContact CG-NE 3.34Å; D289-R313 WeakPolarHBondContact OD1-CD 3.49Å; D289-R313 WeakPolarHBondContact OD1-CG 3.1Å; D289-R313 IonicContact OD1-CZ 3.64Å; D289-R313 IonicContact OD1-NE 2.69Å; D289-R313 PolarHBondContact OD1-NE 3.5Å; D289-R313 IonicContact OD1-NH1 3.65Å; D289-R313 IonicContact OD1-NH2 3.55Å; D289-R313 PolarHBondContact OD1-NH2 2.88Å; D289-R313 IonicContact OD2-CZ 2.76Å; D289-R313 IonicContact OD2-NE 3.38Å; D289-R313 IonicContact OD2-NH2 3.49Å; D289-R313 PolarHBondContact OD2-NH2 2.85Å
290	D	97.6	Very high	98.1	Very high	60 Å²	60	23.6 Å²	23.6	32%	0.321	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	12.9	174.7	77.3	-19.6	0	0	0	114	Y288 N292	Y288-D290 WeakPolarHBondContact CB-OD1 3.36Å; Y288-D290 PolarHBondContact O-N 2.9Å; D290-N292 PolarHBondContact O-N 3.42Å; D290-N292 PolarHBondContact O-ND2 2.84Å; D290-N292 WeakPolarHBondContact OD1-CB 3.48Å; D290-N292 PolarHBondContact OD1-N 3.03Å; D290-N292 PolarHBondContact OD2-ND2 3.17Å
291	F	98.1	Very high	98	Very high	89 Å²	89	21.9 Å²	21.9	39%	0.39	11%	0.106	S	C	.	.	S	Bend	trans	76.9	-0.5	176.6	-37.5	-23.6	0	0	0	114	Y288 D289 N312 V314	Y288-F291 PolarHBondContact O-N 2.81Å; D289-F291 WeakPolarHBondContact O-CD1 3.31Å; D289-F291 WeakPolarHBondContact O-CE1 3.5Å; D289-F291 PolarHBondContact O-N 2.93Å; F291-N312 WeakPolarHBondContact CB-O 3.44Å; F291-N312 VanDerWaalsContact CG-C 3.5Å; F291-V314 WeakPolarHBondContact O-CG2 3.22Å
292	N	98.2	Very high	97.9	Very high	43 Å²	43	27.4 Å²	27.4	23%	0.23	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	161.1	180	-60	-57.5	0	0	0	111.6	Y288 D290 I306 A308	Y288-N292 PolarHBondContact N-O 2.83Å; D290-N292 PolarHBondContact O-N 3.42Å; D290-N292 PolarHBondContact O-ND2 2.84Å; D290-N292 WeakPolarHBondContact OD1-CB 3.48Å; D290-N292 PolarHBondContact OD1-N 3.03Å; D290-N292 PolarHBondContact OD2-ND2 3.17Å; N292-I306 HydrophobicContact CB-CG2 4.07Å; N292-A308 WeakPolarHBondContact OD1-CB 3.49Å
293	C	98.4	Very high	97.9	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	161.8	164.1	0	0	0	0	109.2	G286 I306 L307 T328	G286-C293 CarbonylContact O-C 3.52Å; G286-C293 WeakPolarHBondContact O-CA 3.38Å; G286-C293 WeakPolarHBondContact O-CB 3.43Å; G286-C293 PolarHBondContact O-SG 2.93Å; C293-I306 CarbonylContact O-C 3.55Å; C293-I306 WeakPolarHBondContact O-CA 3.22Å; C293-L307 HydrophobicContact CB-CB 4.04Å; C293-L307 HydrophobicContact CB-CD1 4.43Å; C293-L307 PolarHBondContact N-O 2.96Å; C293-L307 VanDerWaalsContact N-O 3.13Å; C293-L307 PolarHBondContact O-N 3.23Å; C293-T328 HydrophobicContact CB-CG2 4.42Å
294	N	98.4	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	140.6	178.3	-66.6	-82.4	0	0	0	109.7	L285 G286 Y288 W296 R303	L285-N294 WeakPolarHBondContact CA-O 3.47Å; G286-N294 PolarHBondContact N-O 2.85Å; G286-N294 PolarHBondContact O-N 2.89Å; Y288-N294 HydrophobicContact CD2-CB 4.27Å; Y288-N294 WeakPolarHBondContact CD2-ND2 3.42Å; Y288-N294 HydrophobicContact CE2-CB 3.64Å; Y288-N294 WeakPolarHBondContact CE2-ND2 3.19Å; N294-W296 HydrophobicContact CB-CZ2 4.09Å; N294-R303 WeakPolarHBondContact OD1-CD 3.44Å; N294-R303 PolarHBondContact OD1-NH1 3.39Å
295	I	98.5	Very high	97.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.9	175	-54.8	174.7	0	0	0	107.6	I42 L44 L283 L285 R303 A304 G305 L307	I42-I295 HydrophobicContact CB-CD1 4.43Å; I42-I295 HydrophobicContact CG2-CD1 3.82Å; L44-I295 HydrophobicContact CD1-CD1 4.13Å; L44-I295 HydrophobicContact CG-CD1 4.35Å; L283-I295 HydrophobicContact CB-CG2 4.03Å; L283-I295 HydrophobicContact CD1-CG2 4.04Å; L283-I295 HydrophobicContact CD2-CG2 4Å; L283-I295 HydrophobicContact CG-CG2 4.25Å; L285-I295 HydrophobicContact CD2-CD1 4.46Å; L285-I295 HydrophobicContact CD2-CG1 4.07Å; L285-I295 HydrophobicContact CG-CG1 4.29Å; I295-R303 CarbonylContact O-C 3.54Å; I295-A304 HydrophobicContact CG2-CB 4.42Å; I295-A304 PolarHBondContact O-N 3.08Å; I295-G305 PolarHBondContact N-O 3.28Å; I295-G305 PolarHBondContact O-N 2.84Å; I295-G305 VanDerWaalsContact O-N 3.16Å; I295-L307 HydrophobicContact CD1-CD1 4.45Å; I295-L307 HydrophobicContact CD1-CD2 3.91Å; I295-L307 HydrophobicContact CD1-CG 4.02Å; I295-L307 HydrophobicContact CG1-CG 4.33Å
296	W	98.5	Very high	97.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.6	-177.7	-56.5	98.1	0	0	0	110.8	F263 H265 I268 L283 L284 Y288 N294 T298 E302 R303	F263-W296 HydrophobicContact CB-CB 4.47Å; F263-W296 HydrophobicContact CB-CD2 3.76Å; F263-W296 HydrophobicContact CB-CE3 3.94Å; F263-W296 HydrophobicContact CB-CG 3.98Å; F263-W296 HydrophobicContact CB-CZ3 4.42Å; F263-W296 HydrophobicContact CD1-CB 3.82Å; F263-W296 HydrophobicContact CD1-CD2 4.47Å; F263-W296 HydrophobicContact CD1-CE3 4.43Å; F263-W296 HydrophobicContact CD1-CG 4.24Å; F263-W296 HydrophobicContact CE1-CB 4.36Å; F263-W296 HydrophobicContact CG-CB 4.23Å; F263-W296 HydrophobicContact CG-CD2 4.44Å; F263-W296 HydrophobicContact CG-CG 4.25Å; H265-W296 HydrophobicContact CB-CH2 3.88Å; I268-W296 HydrophobicContact CD1-CH2 4.13Å; I268-W296 HydrophobicContact CD1-CZ2 3.93Å; L283-W296 CarbonylContact C-O 3.57Å; L283-W296 VanDerWaalsContact CA-O 3.3Å; L283-W296 WeakPolarHBondContact CA-O 3.24Å; L284-W296 HydrophobicContact CB-CB 4.31Å; L284-W296 PolarHBondContact N-O 2.82Å; L284-W296 PolarHBondContact O-N 2.99Å; Y288-W296 AromaticContact CZ-NE1 3.99Å; Y288-W296 WeakPolarHBondContact OH-CZ2 3.26Å; Y288-W296 PolarHBondContact OH-NE1 3.41Å; N294-W296 HydrophobicContact CB-CZ2 4.09Å; W296-T298 PolarHBondContact O-N 3.05Å; W296-E302 WeakPolarHBondContact CA-O 3.43Å; W296-R303 HydrophobicContact CE3-CB 3.96Å; W296-R303 HydrophobicContact CH2-CB 4.41Å; W296-R303 HydrophobicContact CZ3-CB 3.85Å
297	D	98.1	Very high	97.7	Very high	3 Å²	3	32 Å²	32	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	113.2	165.6	-174.6	-27.3	0	0	0	108.4	V39 R282 L299 K300 Q301 E302	V39-D297 HydrophobicContact CG2-CB 3.94Å; V39-D297 PolarHBondContact N-OD2 2.91Å; V39-D297 VanDerWaalsContact N-OD2 3.14Å; R282-D297 IonicContact CZ-OD1 3.88Å; R282-D297 IonicContact CZ-OD2 2.98Å; R282-D297 IonicContact NE-OD1 3.97Å; R282-D297 PolarHBondContact NE-OD1 3.19Å; R282-D297 IonicContact NE-OD2 3.62Å; R282-D297 PolarHBondContact NE-OD2 2.77Å; R282-D297 IonicContact NH2-OD1 3.27Å; R282-D297 IonicContact NH2-OD2 3.48Å; R282-D297 PolarHBondContact NH2-OD2 2.82Å; D297-L299 PolarHBondContact O-N 2.98Å; D297-L299 PolarHBondContact OD1-N 3.42Å; D297-L299 VanDerWaalsContact OD1-N 3.08Å; D297-K300 HydrophobicContact CB-CB 4.07Å; D297-K300 PolarHBondContact O-N 2.81Å; D297-K300 PolarHBondContact OD1-N 3.4Å; D297-K300 WeakPolarHBondContact OD2-CG 3.44Å; D297-Q301 WeakPolarHBondContact O-CA 3.42Å; D297-Q301 PolarHBondContact O-N 3.08Å; D297-E302 PolarHBondContact N-O 3.05Å
298	T	97.7	Very high	97.7	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.031	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.6	-172.4	54.7	0	0	0	0	113.3	L29 F263 F277 G281 R282 L284 W296	L29-T298 VanDerWaalsContact CD2-O 3.27Å; L29-T298 WeakPolarHBondContact CD2-O 3.33Å; F263-T298 HydrophobicContact CZ-CG2 4.34Å; F277-T298 HydrophobicContact CD1-CG2 4.07Å; F277-T298 HydrophobicContact CE1-CG2 3.71Å; G281-T298 WeakPolarHBondContact O-CB 3.47Å; G281-T298 VanDerWaalsContact O-CG2 3.25Å; G281-T298 WeakPolarHBondContact O-CG2 3.4Å; G281-T298 PolarHBondContact O-OG1 2.81Å; R282-T298 WeakPolarHBondContact CA-OG1 3.43Å; R282-T298 PolarHBondContact O-N 3.24Å; R282-T298 PolarHBondContact O-OG1 2.88Å; R282-T298 VanDerWaalsContact O-OG1 3.1Å; L284-T298 HydrophobicContact CB-CG2 3.65Å; W296-T298 PolarHBondContact O-N 3.05Å
299	L	97.5	Very high	97.6	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.246	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-36.8	-179.4	-62	-179.7	0	0	0	111.6	L29 S33 V36 D297	L29-L299 HydrophobicContact CD1-CD2 4.08Å; S33-L299 PolarHBondContact OG-O 3.28Å; V36-L299 HydrophobicContact CB-CD1 4.47Å; V36-L299 HydrophobicContact CG1-CD1 3.96Å; V36-L299 HydrophobicContact CG2-CD1 4.33Å; D297-L299 PolarHBondContact O-N 2.98Å; D297-L299 PolarHBondContact OD1-N 3.42Å; D297-L299 VanDerWaalsContact OD1-N 3.08Å
300	K	96.5	Very high	97.6	Very high	23 Å²	23	35 Å²	35	10%	0.1	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-15.1	-177	-60	-52.9	-170.7	-179.9	0	114.6	S33 S34 V36 P38 D297 E302	S33-K300 PolarHBondContact O-NZ 3.18Å; S34-K300 PolarHBondContact O-NZ 2.85Å; V36-K300 WeakPolarHBondContact O-CE 3.34Å; V36-K300 PolarHBondContact O-NZ 3.41Å; P38-K300 HydrophobicContact CB-CG 4.47Å; D297-K300 HydrophobicContact CB-CB 4.07Å; D297-K300 PolarHBondContact O-N 2.81Å; D297-K300 PolarHBondContact OD1-N 3.4Å; D297-K300 WeakPolarHBondContact OD2-CG 3.44Å; K300-E302 HydrophobicContact CB-CB 4.32Å; K300-E302 HydrophobicContact CB-CG 4.28Å; K300-E302 PolarHBondContact O-N 2.84Å
301	Q	95.7	Very high	97.6	Very high	53 Å²	53	38.1 Å²	38.1	25%	0.248	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	26.2	-174.7	-54.9	177.1	14	0	0	112.8	G261 M262 F263 D297	G261-Q301 VanDerWaalsContact CA-NE2 3.33Å; M262-Q301 PolarHBondContact O-OE1 2.79Å; F263-Q301 HydrophobicContact CD1-CB 4.17Å; F263-Q301 HydrophobicContact CD1-CG 4.3Å; F263-Q301 HydrophobicContact CE1-CB 4.22Å; F263-Q301 HydrophobicContact CE1-CG 3.93Å; D297-Q301 WeakPolarHBondContact O-CA 3.42Å; D297-Q301 PolarHBondContact O-N 3.08Å
302	E	95.6	Very high	97.6	Very high	117 Å²	117	36.4 Å²	36.4	55%	0.547	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.3	-179.3	-71.7	178.1	177.2	0	0	110.6	W296 D297 K300 A304	W296-E302 WeakPolarHBondContact CA-O 3.43Å; D297-E302 PolarHBondContact N-O 3.05Å; K300-E302 HydrophobicContact CB-CB 4.32Å; K300-E302 HydrophobicContact CB-CG 4.28Å; K300-E302 PolarHBondContact O-N 2.84Å; E302-A304 PolarHBondContact O-N 3.3Å
303	R	97	Very high	97.7	Very high	93 Å²	93	37.8 Å²	37.8	35%	0.351	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	110.8	173.7	-176.1	173.6	61.1	-177.1	-6.1	110.3	H265 N294 I295 W296	H265-R303 PolarHBondContact NE2-NH2 3.31Å; N294-R303 WeakPolarHBondContact OD1-CD 3.44Å; N294-R303 PolarHBondContact OD1-NH1 3.39Å; I295-R303 CarbonylContact O-C 3.54Å; W296-R303 HydrophobicContact CE3-CB 3.96Å; W296-R303 HydrophobicContact CH2-CB 4.41Å; W296-R303 HydrophobicContact CZ3-CB 3.85Å
304	A	97.5	Very high	97.7	Very high	10 Å²	10	37.8 Å²	37.8	8%	0.083	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-27.4	177.9	0	0	0	0	0	113.4	V39 R41 I42 I295 E302	V39-A304 HydrophobicContact CG2-CB 3.47Å; V39-A304 VanDerWaalsContact CG2-CB 3.47Å; R41-A304 CarbonylContact C-O 3.52Å; R41-A304 WeakPolarHBondContact CA-O 3.42Å; I42-A304 HydrophobicContact CG1-CB 3.96Å; I42-A304 PolarHBondContact N-O 3.15Å; I295-A304 HydrophobicContact CG2-CB 4.42Å; I295-A304 PolarHBondContact O-N 3.08Å; E302-A304 PolarHBondContact O-N 3.3Å
305	G	97.6	Very high	97.7	Very high	7 Å²	7	38.4 Å²	38.4	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	172	-176.9	0	0	0	0	0	114.1	I295	I295-G305 PolarHBondContact N-O 3.28Å; I295-G305 PolarHBondContact O-N 2.84Å; I295-G305 VanDerWaalsContact O-N 3.16Å
306	I	97.7	Very high	97.7	Very high	79 Å²	79	38.8 Å²	38.8	41%	0.405	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130.6	177.2	-54.9	173.6	0	0	0	108.4	N292 C293 A308	N292-I306 HydrophobicContact CB-CG2 4.07Å; C293-I306 CarbonylContact O-C 3.55Å; C293-I306 WeakPolarHBondContact O-CA 3.22Å; I306-A308 HydrophobicContact CG2-CB 4.26Å
307	L	98.2	Very high	97.7	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	90.4	168.4	-53	-176	0	0	0	108.3	L44 L285 C293 I295 W338	L44-L307 HydrophobicContact CB-CD2 3.73Å; L44-L307 HydrophobicContact CD1-CD1 4.48Å; L44-L307 HydrophobicContact CD1-CD2 4.09Å; L44-L307 HydrophobicContact CG-CD2 4.14Å; L285-L307 HydrophobicContact CD2-CD1 4.3Å; C293-L307 HydrophobicContact CB-CB 4.04Å; C293-L307 HydrophobicContact CB-CD1 4.43Å; C293-L307 PolarHBondContact N-O 2.96Å; C293-L307 VanDerWaalsContact N-O 3.13Å; C293-L307 PolarHBondContact O-N 3.23Å; I295-L307 HydrophobicContact CD1-CD1 4.45Å; I295-L307 HydrophobicContact CD1-CD2 3.91Å; I295-L307 HydrophobicContact CD1-CG 4.02Å; I295-L307 HydrophobicContact CG1-CG 4.33Å; L307-W338 HydrophobicContact CB-CD2 4.4Å; L307-W338 HydrophobicContact CB-CE3 4.38Å; L307-W338 HydrophobicContact CB-CH2 4.22Å; L307-W338 HydrophobicContact CB-CZ2 4.26Å; L307-W338 HydrophobicContact CB-CZ3 4.28Å; L307-W338 HydrophobicContact CD1-CB 4.45Å; L307-W338 HydrophobicContact CD1-CD2 4.13Å; L307-W338 HydrophobicContact CD1-CG 4.01Å; L307-W338 HydrophobicContact CD2-CD2 4.28Å; L307-W338 HydrophobicContact CD2-CE3 3.99Å; L307-W338 HydrophobicContact CD2-CZ3 4.45Å
308	A	97.4	Very high	97.7	Very high	70 Å²	70	39.9 Å²	39.9	58%	0.579	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.2	175.7	0	0	0	0	0	108.9	N292 I306	N292-A308 WeakPolarHBondContact OD1-CB 3.49Å; I306-A308 HydrophobicContact CG2-CB 4.26Å
309	G	97.2	Very high	97.8	Very high	16 Å²	16	40.9 Å²	40.9	17%	0.165	22%	0.22	C	C	.	.			trans	-167.7	-5.1	175.6	0	0	0	0	0	115.4	R336	G309-R336 PolarHBondContact O-NE 2.7Å; G309-R336 VanDerWaalsContact O-NE 3.09Å; G309-R336 PolarHBondContact O-NH1 3.48Å; G309-R336 VanDerWaalsContact O-NH1 3.13Å; G309-R336 PolarHBondContact O-NH2 2.76Å
310	H	98.6	Very high	97.8	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.056	21%	0.21	C	C	.	.			trans	-91.9	149.2	172.6	-74	-71.9	0	0	0	110.7	N312 V314 T328 S330 D332 F334	H310-N312 VanDerWaalsContact C-N 3.32Å; H310-N312 WeakPolarHBondContact CB-O 3.34Å; H310-V314 HydrophobicContact CB-CG2 4.31Å; H310-T328 PolarHBondContact CD2-OG1 3.03Å; H310-T328 PolarHBondContact NE2-OG1 3.12Å; H310-S330 VanDerWaalsContact CG-CB 3.4Å; H310-S330 WeakPolarHBondContact ND1-CB 3.48Å; H310-D332 WeakPolarHBondContact CA-OD2 3.18Å; H310-D332 WeakPolarHBondContact CB-OD2 3.5Å; H310-D332 IonicContact CE1-OD1 2.6Å; H310-D332 IonicContact CE1-OD2 3.46Å; H310-D332 IonicContact CG-OD2 3.9Å; H310-D332 IonicContact ND1-OD1 3.7Å; H310-D332 PolarHBondContact ND1-OD1 3.46Å; H310-D332 IonicContact ND1-OD2 3.42Å; H310-D332 PolarHBondContact ND1-OD2 2.83Å; H310-F334 PolarHBondContact CE1-O 3.27Å
311	D	98.1	Very high	97.8	Very high	125 Å²	125	43.1 Å²	43.1	67%	0.668	23%	0.23	S	C	*	.	S	Bend	trans	-95.6	6.2	178.3	-61.7	-47.4	0	0	0	111.8	D332	D311-D332 HydrophobicContact CB-CB 4.39Å; D311-D332 PolarHBondContact N-OD2 3.36Å; D311-D332 VanDerWaalsContact N-OD2 3.17Å
312	N	98.4	Very high	97.9	Very high	53 Å²	53	43.3 Å²	43.3	28%	0.283	23%	0.233	S	C	.	.	S	Bend	trans	-157	173	179.8	-150.8	-33.4	0	0	0	110.1	F291 H310 V314 S330 W331 D332	F291-N312 WeakPolarHBondContact CB-O 3.44Å; F291-N312 VanDerWaalsContact CG-C 3.5Å; H310-N312 VanDerWaalsContact C-N 3.32Å; H310-N312 WeakPolarHBondContact CB-O 3.34Å; N312-V314 PolarHBondContact O-N 3.47Å; N312-S330 PolarHBondContact O-OG 2.71Å; N312-W331 HydrophobicContact CB-CB 3.92Å; N312-D332 HydrophobicContact CB-CB 4.04Å
313	R	98.3	Very high	98	Very high	73 Å²	73	39.3 Å²	39.3	28%	0.275	22%	0.223	S	C	.	.			trans	-41	125.2	-179.6	173.4	-177.1	-68.9	-165.3	-10.6	111.6	T273 D289 S315 S330 W331	T273-R313 HydrophobicContact CG2-CG 3.92Å; D289-R313 VanDerWaalsContact CG-NE 3.34Å; D289-R313 WeakPolarHBondContact OD1-CD 3.49Å; D289-R313 WeakPolarHBondContact OD1-CG 3.1Å; D289-R313 IonicContact OD1-CZ 3.64Å; D289-R313 IonicContact OD1-NE 2.69Å; D289-R313 PolarHBondContact OD1-NE 3.5Å; D289-R313 IonicContact OD1-NH1 3.65Å; D289-R313 IonicContact OD1-NH2 3.55Å; D289-R313 PolarHBondContact OD1-NH2 2.88Å; D289-R313 IonicContact OD2-CZ 2.76Å; D289-R313 IonicContact OD2-NE 3.38Å; D289-R313 IonicContact OD2-NH2 3.49Å; D289-R313 PolarHBondContact OD2-NH2 2.85Å; R313-S315 PolarHBondContact O-N 2.86Å; R313-S330 VanDerWaalsContact O-CA 3.26Å; R313-S330 WeakPolarHBondContact O-CA 3.27Å; R313-S330 WeakPolarHBondContact O-CB 3.36Å; R313-S330 PolarHBondContact O-OG 2.99Å; R313-W331 HydrophobicContact CB-CD2 4.03Å; R313-W331 HydrophobicContact CB-CE3 4Å; R313-W331 HydrophobicContact CB-CG 4.25Å; R313-W331 HydrophobicContact CG-CD2 4.42Å; R313-W331 PolarHBondContact O-N 2.8Å
314	V	98.8	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	114.4	166.7	179.2	0	0	0	0	105.7	T273 Y288 F291 H310 N312 T328	T273-V314 WeakPolarHBondContact CB-O 3.35Å; T273-V314 WeakPolarHBondContact CG2-O 3.5Å; T273-V314 PolarHBondContact OG1-O 3.31Å; Y288-V314 PolarHBondContact O-N 2.95Å; F291-V314 WeakPolarHBondContact O-CG2 3.22Å; H310-V314 HydrophobicContact CB-CG2 4.31Å; N312-V314 PolarHBondContact O-N 3.47Å; V314-T328 HydrophobicContact CG1-CG2 4.42Å
315	S	98.7	Very high	98	Very high	15 Å²	15	41.2 Å²	41.2	11%	0.105	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-26.5	-173.3	55.5	0	0	0	0	112.8	I57 R313 G329	I57-S315 VanDerWaalsContact O-CB 3.28Å; I57-S315 WeakPolarHBondContact O-CB 3.42Å; I57-S315 PolarHBondContact O-OG 2.97Å; R313-S315 PolarHBondContact O-N 2.86Å; S315-G329 PolarHBondContact N-O 3.25Å; S315-G329 PolarHBondContact OG-O 3.42Å
316	C	98.7	Very high	98.1	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	152.6	-179.2	58.9	0	0	0	0	110.7	A59 M60 T328 G329	A59-C316 VanDerWaalsContact C-SG 3.6Å; M60-C316 HydrophobicContact CG-CB 4.19Å; M60-C316 VanDerWaalsContact CG-SG 3.55Å; C316-T328 WeakPolarHBondContact O-CA 3.37Å; C316-G329 PolarHBondContact N-O 3.34Å; C316-G329 PolarHBondContact O-N 2.78Å
317	L	98.6	Very high	98.1	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	156.8	172.4	70.7	87.9	0	0	0	110.4	S274 A276 L285 C327 T328	S274-L317 WeakPolarHBondContact OG-CD2 3.49Å; A276-L317 HydrophobicContact CB-CD1 3.26Å; L285-L317 HydrophobicContact CB-CD1 4.18Å; L285-L317 HydrophobicContact CB-CD2 4.47Å; L317-C327 CarbonylContact C-O 3.49Å; L317-C327 WeakPolarHBondContact CA-O 3.26Å; L317-T328 HydrophobicContact CB-CG2 4.11Å
318	G	98.5	Very high	98.2	Very high	12 Å²	12	37.6 Å²	37.6	12%	0.124	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	143.9	175.6	0	0	0	0	0	111.9	W62 V326 C327	W62-G318 PolarHBondContact NE1-O 2.74Å; G318-V326 CarbonylContact O-C 3.5Å; G318-V326 WeakPolarHBondContact O-CA 3.29Å; G318-C327 PolarHBondContact N-O 3.4Å; G318-C327 PolarHBondContact O-N 3.48Å
319	V	98.6	Very high	98.2	Very high	25 Å²	25	34.3 Å²	34.3	15%	0.152	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.4	172.5	-174	0	0	0	0	108.5	A276 F277 L285 V326	A276-V319 HydrophobicContact CB-CG2 3.96Å; F277-V319 VanDerWaalsContact O-CG2 3.26Å; F277-V319 WeakPolarHBondContact O-CG2 3.3Å; L285-V319 HydrophobicContact CD1-CG2 3.98Å; V319-V326 HydrophobicContact CG2-CG2 4.1Å
320	S	98.3	Very high	98.3	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	18%	0.183	C	C	.	.			trans	-65	151.5	174.4	60.6	0	0	0	0	111.4	D322 G323 M324 A325	S320-D322 WeakPolarHBondContact CB-OD1 3.41Å; S320-D322 PolarHBondContact O-N 2.81Å; S320-D322 PolarHBondContact OG-OD1 2.91Å; S320-G323 WeakPolarHBondContact O-CA 3.45Å; S320-G323 PolarHBondContact O-N 3.27Å; S320-M324 PolarHBondContact OG-N 3.05Å; S320-M324 VanDerWaalsContact OG-N 3.16Å; S320-A325 PolarHBondContact N-O 3.05Å; S320-A325 PolarHBondContact OG-N 3.44Å; S320-A325 VanDerWaalsContact OG-N 3.09Å; S320-A325 PolarHBondContact OG-O 2.82Å
321	E	96.5	Very high	98.3	Very high	114 Å²	114	35.2 Å²	35.2	53%	0.533	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.1	-177.9	-72.8	-59.5	148.5	0	0	113.1	S66 K279 G323	S66-E321 WeakPolarHBondContact OG-CB 3.35Å; S66-E321 PolarHBondContact OG-N 2.8Å; K279-E321 PolarHBondContact NZ-O 3.4Å; E321-G323 VanDerWaalsContact C-N 3.27Å; E321-G323 PolarHBondContact O-N 2.86Å
322	D	97.5	Very high	98.3	Very high	57 Å²	57	30.3 Å²	30.3	31%	0.305	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.5	174.4	68.6	0.3	0	0	0	114.1	S66 K279 S320 M324	S66-D322 VanDerWaalsContact CB-CG 3.43Å; S66-D322 WeakPolarHBondContact CB-OD2 3.49Å; S66-D322 PolarHBondContact OG-N 2.89Å; K279-D322 WeakPolarHBondContact CD-O 3.24Å; S320-D322 WeakPolarHBondContact CB-OD1 3.41Å; S320-D322 PolarHBondContact O-N 2.81Å; S320-D322 PolarHBondContact OG-OD1 2.91Å; D322-M324 VanDerWaalsContact C-N 3.27Å; D322-M324 HydrophobicContact CB-CG 4.22Å; D322-M324 PolarHBondContact O-N 2.89Å; D322-M324 VanDerWaalsContact OD1-CB 3.3Å; D322-M324 WeakPolarHBondContact OD1-CB 3.31Å; D322-M324 PolarHBondContact OD1-N 2.94Å; D322-M324 VanDerWaalsContact OD2-CG 3.23Å; D322-M324 WeakPolarHBondContact OD2-CG 3.39Å
323	G	97.5	Very high	98.3	Very high	33 Å²	33	28.9 Å²	28.9	34%	0.34	16%	0.157	S	C	.	.	S	Bend	trans	74.1	7.9	-178.3	0	0	0	0	0	115.1	S320 E321	S320-G323 WeakPolarHBondContact O-CA 3.45Å; S320-G323 PolarHBondContact O-N 3.27Å; E321-G323 VanDerWaalsContact C-N 3.27Å; E321-G323 PolarHBondContact O-N 2.86Å
324	M	97.9	Very high	98.4	Very high	129 Å²	129	28.5 Å²	28.5	64%	0.635	16%	0.157	S	C	*	.	S	Bend	trans	-77.4	-22	-174.1	-69.8	-67.6	-178.3	0	0	114.2	S320 D322 N339	S320-M324 PolarHBondContact OG-N 3.05Å; S320-M324 VanDerWaalsContact OG-N 3.16Å; D322-M324 VanDerWaalsContact C-N 3.27Å; D322-M324 HydrophobicContact CB-CG 4.22Å; D322-M324 PolarHBondContact O-N 2.89Å; D322-M324 VanDerWaalsContact OD1-CB 3.3Å; D322-M324 WeakPolarHBondContact OD1-CB 3.31Å; D322-M324 PolarHBondContact OD1-N 2.94Å; D322-M324 VanDerWaalsContact OD2-CG 3.23Å; D322-M324 WeakPolarHBondContact OD2-CG 3.39Å; M324-N339 WeakPolarHBondContact O-CB 3.39Å
325	A	98	Very high	98.4	Very high	14 Å²	14	28.5 Å²	28.5	12%	0.116	16%	0.157	C	C	.	.			trans	-147.2	152.9	-177.4	0	0	0	0	0	112.7	W62 S320 I337 W338	W62-A325 HydrophobicContact CZ2-CB 4.39Å; S320-A325 PolarHBondContact N-O 3.05Å; S320-A325 PolarHBondContact OG-N 3.44Å; S320-A325 VanDerWaalsContact OG-N 3.09Å; S320-A325 PolarHBondContact OG-O 2.82Å; A325-I337 HydrophobicContact CB-CG2 3.74Å; A325-W338 WeakPolarHBondContact CA-O 3.19Å
326	V	98.5	Very high	98.4	Very high	13 Å²	13	30.3 Å²	30.3	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.1	167.8	-176.8	0	0	0	0	107.6	L44 L285 G318 V319 I337 W338	L44-V326 HydrophobicContact CD1-CG2 4.35Å; L285-V326 HydrophobicContact CD2-CB 4.35Å; L285-V326 HydrophobicContact CD2-CG1 3.77Å; L285-V326 HydrophobicContact CD2-CG2 3.81Å; G318-V326 CarbonylContact O-C 3.5Å; G318-V326 WeakPolarHBondContact O-CA 3.29Å; V319-V326 HydrophobicContact CG2-CG2 4.1Å; V326-I337 CarbonylContact O-C 3.51Å; V326-I337 WeakPolarHBondContact O-CA 3.16Å; V326-W338 HydrophobicContact CB-CB 4.41Å; V326-W338 PolarHBondContact N-O 2.76Å; V326-W338 PolarHBondContact O-N 3.33Å
327	C	98.7	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.3	167.5	-166.8	0	0	0	0	110.2	M60 W62 L317 G318 R336 I337	M60-C327 HydrophobicContact CE-CB 3.43Å; M60-C327 VanDerWaalsContact CE-CB 3.43Å; M60-C327 HydrophobicContact SD-CB 4.17Å; W62-C327 HydrophobicContact CZ2-CB 3.55Å; L317-C327 CarbonylContact C-O 3.49Å; L317-C327 WeakPolarHBondContact CA-O 3.26Å; G318-C327 PolarHBondContact N-O 3.4Å; G318-C327 PolarHBondContact O-N 3.48Å; C327-R336 CarbonylContact C-O 3.57Å; C327-R336 VanDerWaalsContact CA-O 3.25Å; C327-R336 WeakPolarHBondContact CA-O 3.37Å; C327-R336 PolarHBondContact SG-O 2.87Å; C327-I337 HydrophobicContact CB-CG1 4.47Å
328	T	98.9	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.5	169.7	57.2	0	0	0	0	109.1	C293 H310 V314 C316 L317 L335 R336 W338	C293-T328 HydrophobicContact CB-CG2 4.42Å; H310-T328 PolarHBondContact CD2-OG1 3.03Å; H310-T328 PolarHBondContact NE2-OG1 3.12Å; V314-T328 HydrophobicContact CG1-CG2 4.42Å; C316-T328 WeakPolarHBondContact O-CA 3.37Å; L317-T328 HydrophobicContact CB-CG2 4.11Å; T328-L335 CarbonylContact O-C 3.52Å; T328-L335 WeakPolarHBondContact O-CA 3.43Å; T328-R336 PolarHBondContact N-O 2.79Å; T328-R336 PolarHBondContact O-N 3.29Å; T328-W338 PolarHBondContact OG1-NE1 2.81Å
329	G	98.8	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	147.9	169.6	0	0	0	0	0	110.5	S315 C316	S315-G329 PolarHBondContact N-O 3.25Å; S315-G329 PolarHBondContact OG-O 3.42Å; C316-G329 PolarHBondContact N-O 3.34Å; C316-G329 PolarHBondContact O-N 2.78Å
330	S	98.9	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	163.1	-174.7	168.1	0	0	0	0	112.5	I57 H310 N312 R313 D332 S333 F334	I57-S330 WeakPolarHBondContact CB-O 3.38Å; I57-S330 PolarHBondContact N-O 3.38Å; H310-S330 VanDerWaalsContact CG-CB 3.4Å; H310-S330 WeakPolarHBondContact ND1-CB 3.48Å; N312-S330 PolarHBondContact O-OG 2.71Å; R313-S330 VanDerWaalsContact O-CA 3.26Å; R313-S330 WeakPolarHBondContact O-CA 3.27Å; R313-S330 WeakPolarHBondContact O-CB 3.36Å; R313-S330 PolarHBondContact O-OG 2.99Å; S330-D332 VanDerWaalsContact CB-OD1 3.29Å; S330-D332 WeakPolarHBondContact CB-OD1 3.39Å; S330-D332 PolarHBondContact O-N 2.63Å; S330-D332 PolarHBondContact OG-N 3.2Å; S330-D332 VanDerWaalsContact OG-N 3.14Å; S330-D332 PolarHBondContact OG-OD1 2.73Å; S330-S333 PolarHBondContact O-N 2.79Å; S330-F334 PolarHBondContact N-O 2.74Å
331	W	98.7	Very high	98.1	Very high	47 Å²	47	35.8 Å²	35.8	18%	0.178	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9	169.4	-74.2	9.1	0	0	0	114.2	K56 Y58 N312 R313 S333	K56-W331 HydrophobicContact CB-CB 4.23Å; K56-W331 HydrophobicContact CB-CG 3.97Å; K56-W331 HydrophobicContact CD-CB 4.27Å; K56-W331 HydrophobicContact CD-CD2 3.78Å; K56-W331 HydrophobicContact CD-CE3 4.14Å; K56-W331 HydrophobicContact CD-CG 3.86Å; K56-W331 HydrophobicContact CG-CB 3.9Å; K56-W331 HydrophobicContact CG-CD2 4.34Å; K56-W331 HydrophobicContact CG-CG 3.88Å; Y58-W331 AromaticContact CE2-NE1 3.76Å; N312-W331 HydrophobicContact CB-CB 3.92Å; R313-W331 HydrophobicContact CB-CD2 4.03Å; R313-W331 HydrophobicContact CB-CE3 4Å; R313-W331 HydrophobicContact CB-CG 4.25Å; R313-W331 HydrophobicContact CG-CD2 4.42Å; R313-W331 PolarHBondContact O-N 2.8Å; W331-S333 PolarHBondContact O-N 3.09Å
332	D	98.4	Very high	98.2	Very high	22 Å²	22	31.4 Å²	31.4	12%	0.118	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	2.2	170.2	70.4	9.1	0	0	0	114.1	H310 D311 N312 S330 F334	H310-D332 WeakPolarHBondContact CA-OD2 3.18Å; H310-D332 WeakPolarHBondContact CB-OD2 3.5Å; H310-D332 IonicContact CE1-OD1 2.6Å; H310-D332 IonicContact CE1-OD2 3.46Å; H310-D332 IonicContact CG-OD2 3.9Å; H310-D332 IonicContact ND1-OD1 3.7Å; H310-D332 PolarHBondContact ND1-OD1 3.46Å; H310-D332 IonicContact ND1-OD2 3.42Å; H310-D332 PolarHBondContact ND1-OD2 2.83Å; D311-D332 HydrophobicContact CB-CB 4.39Å; D311-D332 PolarHBondContact N-OD2 3.36Å; D311-D332 VanDerWaalsContact N-OD2 3.17Å; N312-D332 HydrophobicContact CB-CB 4.04Å; S330-D332 VanDerWaalsContact CB-OD1 3.29Å; S330-D332 WeakPolarHBondContact CB-OD1 3.39Å; S330-D332 PolarHBondContact O-N 2.63Å; S330-D332 PolarHBondContact OG-N 3.2Å; S330-D332 VanDerWaalsContact OG-N 3.14Å; S330-D332 PolarHBondContact OG-OD1 2.73Å; D332-F334 VanDerWaalsContact C-N 3.27Å; D332-F334 HydrophobicContact CB-CD2 4.18Å; D332-F334 VanDerWaalsContact O-CD2 3.31Å; D332-F334 WeakPolarHBondContact O-CD2 3.29Å; D332-F334 WeakPolarHBondContact O-CE2 3.44Å; D332-F334 PolarHBondContact O-N 2.83Å; D332-F334 WeakPolarHBondContact OD1-CB 3.41Å; D332-F334 PolarHBondContact OD1-N 2.71Å
333	S	98.5	Very high	98.3	Very high	23 Å²	23	29.9 Å²	29.9	16%	0.161	16%	0.158	C	C	.	.	S	Bend	trans	72.5	10.4	-179.7	-38.9	0	0	0	0	115	A55 I57 S330 W331	A55-S333 VanDerWaalsContact C-OG 3.24Å; A55-S333 WeakPolarHBondContact O-CB 3.4Å; A55-S333 PolarHBondContact O-OG 2.49Å; A55-S333 VanDerWaalsContact O-OG 3.1Å; I57-S333 VanDerWaalsContact CD1-C 3.42Å; S330-S333 PolarHBondContact O-N 2.79Å; W331-S333 PolarHBondContact O-N 3.09Å
334	F	98.7	Very high	98.3	Very high	66 Å²	66	29.8 Å²	29.8	29%	0.289	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.2	176.4	-59.6	-66.4	0	0	0	112.4	T49 R51 I57 H310 S330 D332	T49-F334 HydrophobicContact CG2-CB 4.32Å; T49-F334 HydrophobicContact CG2-CD1 4.11Å; T49-F334 HydrophobicContact CG2-CG 4.39Å; R51-F334 HydrophobicContact CB-CE1 4.44Å; R51-F334 HydrophobicContact CG-CD1 3.87Å; R51-F334 HydrophobicContact CG-CE1 3.79Å; I57-F334 WeakPolarHBondContact CD1-O 3.44Å; H310-F334 PolarHBondContact CE1-O 3.27Å; S330-F334 PolarHBondContact N-O 2.74Å; D332-F334 VanDerWaalsContact C-N 3.27Å; D332-F334 HydrophobicContact CB-CD2 4.18Å; D332-F334 VanDerWaalsContact O-CD2 3.31Å; D332-F334 WeakPolarHBondContact O-CD2 3.29Å; D332-F334 WeakPolarHBondContact O-CE2 3.44Å; D332-F334 PolarHBondContact O-N 2.83Å; D332-F334 WeakPolarHBondContact OD1-CB 3.41Å; D332-F334 PolarHBondContact OD1-N 2.71Å
335	L	98.8	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141	157.1	-56.7	94	0	0	0	109.8	T49 L50 I57 M60 L69 W81 T328	T49-L335 CarbonylContact C-O 3.59Å; T49-L335 WeakPolarHBondContact CA-O 3.09Å; L50-L335 HydrophobicContact CB-CB 4.05Å; L50-L335 HydrophobicContact CB-CD1 4.32Å; L50-L335 HydrophobicContact CD1-CB 4.06Å; L50-L335 HydrophobicContact CG-CB 4.22Å; L50-L335 PolarHBondContact N-O 3.23Å; L50-L335 PolarHBondContact O-N 2.99Å; I57-L335 HydrophobicContact CD1-CD1 3.49Å; I57-L335 VanDerWaalsContact CD1-CD1 3.49Å; I57-L335 HydrophobicContact CD1-CG 3.86Å; M60-L335 HydrophobicContact CB-CD2 3.82Å; M60-L335 HydrophobicContact CG-CD2 4.28Å; L69-L335 HydrophobicContact CD1-CD2 3.9Å; W81-L335 HydrophobicContact CZ2-CD1 4.18Å; T328-L335 CarbonylContact O-C 3.52Å; T328-L335 WeakPolarHBondContact O-CA 3.43Å
336	R	98.7	Very high	98.3	Very high	53 Å²	53	23.8 Å²	23.8	20%	0.2	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.7	176.1	-69	-177	175.9	-138.3	4.1	109.8	T46 R48 T49 G309 C327 T328 W338	T46-R336 HydrophobicContact CG2-CB 4.05Å; T46-R336 HydrophobicContact CG2-CG 4.1Å; R48-R336 WeakPolarHBondContact O-CA 3.47Å; T49-R336 HydrophobicContact CG2-CG 4.47Å; G309-R336 PolarHBondContact O-NE 2.7Å; G309-R336 VanDerWaalsContact O-NE 3.09Å; G309-R336 PolarHBondContact O-NH1 3.48Å; G309-R336 VanDerWaalsContact O-NH1 3.13Å; G309-R336 PolarHBondContact O-NH2 2.76Å; C327-R336 CarbonylContact C-O 3.57Å; C327-R336 VanDerWaalsContact CA-O 3.25Å; C327-R336 WeakPolarHBondContact CA-O 3.37Å; C327-R336 PolarHBondContact SG-O 2.87Å; T328-R336 PolarHBondContact N-O 2.79Å; T328-R336 PolarHBondContact O-N 3.29Å; R336-W338 HydrophobicContact CB-CZ2 3.78Å; R336-W338 HydrophobicContact CG-CZ2 4.37Å; R336-W338 PolarHBondContact O-NE1 3.25Å
337	I	98.6	Very high	98.3	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.046	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.1	173.8	-57.7	176	0	0	0	108.2	T46 R47 R48 L50 W62 L69 G83 A325 V326 C327	T46-I337 CarbonylContact C-O 3.55Å; R47-I337 PolarHBondContact N-O 2.97Å; R48-I337 HydrophobicContact CB-CB 4.07Å; R48-I337 HydrophobicContact CB-CD1 4.14Å; R48-I337 HydrophobicContact CB-CG1 4.33Å; R48-I337 HydrophobicContact CG-CD1 4.47Å; R48-I337 PolarHBondContact N-O 3.36Å; R48-I337 PolarHBondContact O-N 2.68Å; L50-I337 HydrophobicContact CD1-CD1 4.34Å; L50-I337 HydrophobicContact CD2-CD1 4.35Å; W62-I337 HydrophobicContact CH2-CD1 4.05Å; W62-I337 HydrophobicContact CH2-CG1 4.44Å; L69-I337 HydrophobicContact CD2-CD1 4.28Å; G83-I337 WeakPolarHBondContact O-CD1 3.05Å; A325-I337 HydrophobicContact CB-CG2 3.74Å; V326-I337 CarbonylContact O-C 3.51Å; V326-I337 WeakPolarHBondContact O-CA 3.16Å; C327-I337 HydrophobicContact CB-CG1 4.47Å
338	W	98.5	Very high	98.3	Very high	9 Å²	9	26.7 Å²	26.7	3%	0.034	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.2	-173.2	-46.2	83.8	0	0	0	110.8	L44 R45 T46 L307 A325 V326 T328 R336	L44-W338 HydrophobicContact CB-CB 4.12Å; L44-W338 HydrophobicContact CD1-CB 4.23Å; R45-W338 WeakPolarHBondContact O-CA 3.11Å; T46-W338 WeakPolarHBondContact OG1-CH2 3.44Å; T46-W338 WeakPolarHBondContact OG1-CZ3 3.28Å; L307-W338 HydrophobicContact CB-CD2 4.4Å; L307-W338 HydrophobicContact CB-CE3 4.38Å; L307-W338 HydrophobicContact CB-CH2 4.22Å; L307-W338 HydrophobicContact CB-CZ2 4.26Å; L307-W338 HydrophobicContact CB-CZ3 4.28Å; L307-W338 HydrophobicContact CD1-CB 4.45Å; L307-W338 HydrophobicContact CD1-CD2 4.13Å; L307-W338 HydrophobicContact CD1-CG 4.01Å; L307-W338 HydrophobicContact CD2-CD2 4.28Å; L307-W338 HydrophobicContact CD2-CE3 3.99Å; L307-W338 HydrophobicContact CD2-CZ3 4.45Å; A325-W338 WeakPolarHBondContact CA-O 3.19Å; V326-W338 HydrophobicContact CB-CB 4.41Å; V326-W338 PolarHBondContact N-O 2.76Å; V326-W338 PolarHBondContact O-N 3.33Å; T328-W338 PolarHBondContact OG1-NE1 2.81Å; R336-W338 HydrophobicContact CB-CZ2 3.78Å; R336-W338 HydrophobicContact CG-CZ2 4.37Å; R336-W338 PolarHBondContact O-NE1 3.25Å
339	N	94.3	Very high	98.3	Very high	91 Å²	91	29.1 Å²	29.1	49%	0.487	14%	0.138	S	C	.	.			trans	-161.5	0	160.5	72.1	18.4	0	0	0	111.4	R45 R47 M324	R45-N339 PolarHBondContact N-O 3.07Å; R45-N339 PolarHBondContact O-N 3.04Å; R47-N339 WeakPolarHBondContact CD-OD1 3.41Å; R47-N339 WeakPolarHBondContact CG-OD1 3.41Å; R47-N339 PolarHBondContact NE-O 2.88Å; R47-N339 PolarHBondContact NE-OD1 3.45Å; R47-N339 PolarHBondContact NH2-O 3.34Å; M324-N339 WeakPolarHBondContact O-CB 3.39Å

Retrieved 339 of 339 residues in 146.7 ms (Link to these results)

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