A0A5K4FA90_SCHMA Loading...

Loricrin

AlphaFold DB , UniProt , Accession A0A5K4FA90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 734 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	53.4	Low	69.1	Low	220 Å²	220	157.9 Å²	157.9	100%	1.084	71%	0.714	S	S	*	*				0	-38.7	0	-90.9	167.1	144.4	0	0	114.2	L3 R4	M1-L3 PolarHBondContact O-N 2.9Å; M1-R4 PolarHBondContact O-N 3.47Å
2	K	61.1	Low	69.9	Low	181 Å²	181	149.1 Å²	149.1	79%	0.787	68%	0.681	S	S	*	*	H	α-helix	trans	-61.6	-28	-176.7	-68.3	-176.6	177.1	-180	0	116.8	Y6	K2-Y6 PolarHBondContact O-N 3.26Å
3	L	59.6	Low	70.5	Confident	152 Å²	152	140.2 Å²	140.2	80%	0.796	65%	0.651	S	S	*	*	H	α-helix	trans	-69.3	-32.4	178.3	-108.2	95.8	0	0	0	113.5	M1 S7	M1-L3 PolarHBondContact O-N 2.9Å; L3-S7 PolarHBondContact O-N 3.1Å; L3-S7 PolarHBondContact O-OG 3.23Å; L3-S7 VanDerWaalsContact O-OG 3.13Å
4	R	61.9	Low	71.3	Confident	225 Å²	225	135.1 Å²	135.1	85%	0.849	63%	0.634	S	S	*	*	H	α-helix	trans	-70.4	-38.1	-178.4	-93.6	-171.1	175.2	-166.8	-0.7	112.4	M1 F8	M1-R4 PolarHBondContact O-N 3.47Å; R4-F8 PolarHBondContact O-N 2.85Å; R4-F8 VanDerWaalsContact O-N 3.17Å
5	E	69.6	Low	71.7	Confident	142 Å²	142	132.3 Å²	132.3	66%	0.664	62%	0.623	S	S	*	*	H	α-helix	trans	-68.5	-40.1	178.6	-70.2	172.6	170.8	0	0	111.6	S7 F8 Y9	E5-S7 PolarHBondContact O-N 3.39Å; E5-F8 PolarHBondContact O-N 3.25Å; E5-Y9 PolarHBondContact O-N 2.88Å
6	Y	72.6	Confident	71.9	Confident	176 Å²	176	131.4 Å²	131.4	69%	0.69	62%	0.623	S	S	*	*	H	α-helix	trans	-65.1	-40.7	177.2	-133.5	-88.6	0	0	0	111.9	K2 F8 Y9 M10	K2-Y6 PolarHBondContact O-N 3.26Å; Y6-F8 VanDerWaalsContact C-N 3.32Å; Y6-F8 PolarHBondContact O-N 3.08Å; Y6-Y9 PolarHBondContact O-N 2.93Å; Y6-M10 HydrophobicContact CD1-CG 4.21Å; Y6-M10 WeakPolarHBondContact O-CG 3.45Å; Y6-M10 PolarHBondContact O-N 3.47Å
7	S	69.4	Low	72.1	Confident	76 Å²	76	129.4 Å²	129.4	53%	0.531	62%	0.616	S	S	.	*	H	α-helix	trans	-62.4	-38.2	174.6	-63.8	0	0	0	0	112.4	L3 E5 F11	L3-S7 PolarHBondContact O-N 3.1Å; L3-S7 PolarHBondContact O-OG 3.23Å; L3-S7 VanDerWaalsContact O-OG 3.13Å; E5-S7 PolarHBondContact O-N 3.39Å; S7-F11 VanDerWaalsContact O-CB 3.31Å; S7-F11 WeakPolarHBondContact O-CB 3.41Å; S7-F11 PolarHBondContact O-N 3.43Å
8	F	79	Confident	71.9	Confident	144 Å²	144	127 Å²	127	63%	0.632	61%	0.606	S	S	*	*	H	α-helix	trans	-67.7	-39.8	177.8	-163.6	-92.9	0	0	0	112.1	R4 E5 Y6 F11 T12	R4-F8 PolarHBondContact O-N 2.85Å; R4-F8 VanDerWaalsContact O-N 3.17Å; E5-F8 PolarHBondContact O-N 3.25Å; Y6-F8 VanDerWaalsContact C-N 3.32Å; Y6-F8 PolarHBondContact O-N 3.08Å; F8-F11 PolarHBondContact O-N 3.46Å; F8-T12 HydrophobicContact CD1-CG2 4.36Å; F8-T12 HydrophobicContact CE1-CG2 3.96Å; F8-T12 HydrophobicContact CZ-CG2 4.5Å; F8-T12 PolarHBondContact O-N 3.29Å; F8-T12 PolarHBondContact O-OG1 3.09Å
9	Y	78.1	Confident	71.6	Confident	176 Å²	176	122.3 Å²	122.3	69%	0.69	59%	0.594	S	S	*	*	H	α-helix	trans	-67.1	-42.5	177.2	-153.4	-87.6	0	0	0	112	E5 Y6 F11 T12 A13	E5-Y9 PolarHBondContact O-N 2.88Å; Y6-Y9 PolarHBondContact O-N 2.93Å; Y9-F11 VanDerWaalsContact C-N 3.32Å; Y9-F11 PolarHBondContact O-N 3.17Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.14Å; Y9-T12 PolarHBondContact O-N 3.47Å; Y9-T12 PolarHBondContact O-OG1 2.85Å; Y9-T12 VanDerWaalsContact O-OG1 3.11Å; Y9-A13 VanDerWaalsContact O-CB 3.28Å; Y9-A13 WeakPolarHBondContact O-CB 3.23Å; Y9-A13 PolarHBondContact O-N 2.96Å
10	M	77.7	Confident	71	Confident	110 Å²	110	125.8 Å²	125.8	54%	0.542	60%	0.601	S	S	.	*	H	α-helix	trans	-63.7	-39	174.9	-70.3	-63.4	-72.9	0	0	111.4	Y6 T14	Y6-M10 HydrophobicContact CD1-CG 4.21Å; Y6-M10 WeakPolarHBondContact O-CG 3.45Å; Y6-M10 PolarHBondContact O-N 3.47Å; M10-T14 VanDerWaalsContact O-CB 3.3Å; M10-T14 WeakPolarHBondContact O-CB 3.46Å; M10-T14 PolarHBondContact O-N 3.27Å; M10-T14 PolarHBondContact O-OG1 3.28Å
11	F	77.3	Confident	70.4	Confident	135 Å²	135	123.9 Å²	123.9	59%	0.592	59%	0.593	S	S	*	*	H	α-helix	trans	-66.2	-46.1	177.3	-169.5	-107.1	0	0	0	112.2	S7 F8 Y9 T14 I15	S7-F11 VanDerWaalsContact O-CB 3.31Å; S7-F11 WeakPolarHBondContact O-CB 3.41Å; S7-F11 PolarHBondContact O-N 3.43Å; F8-F11 PolarHBondContact O-N 3.46Å; Y9-F11 VanDerWaalsContact C-N 3.32Å; Y9-F11 PolarHBondContact O-N 3.17Å; F11-T14 PolarHBondContact O-N 3.24Å; F11-I15 HydrophobicContact CD1-CD1 3.62Å; F11-I15 HydrophobicContact CE1-CD1 3.28Å; F11-I15 HydrophobicContact CE1-CG1 4.37Å; F11-I15 HydrophobicContact CE2-CD1 4.49Å; F11-I15 HydrophobicContact CG-CD1 4.38Å; F11-I15 HydrophobicContact CZ-CD1 3.76Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 3.42Å
12	T	78.8	Confident	70.5	Confident	52 Å²	52	117.6 Å²	117.6	32%	0.319	56%	0.564	S	S	.	*	H	α-helix	trans	-65.4	-41.6	177	33.9	0	0	0	0	112.4	F8 Y9 T14 I15 L16	F8-T12 HydrophobicContact CD1-CG2 4.36Å; F8-T12 HydrophobicContact CE1-CG2 3.96Å; F8-T12 HydrophobicContact CZ-CG2 4.5Å; F8-T12 PolarHBondContact O-N 3.29Å; F8-T12 PolarHBondContact O-OG1 3.09Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.14Å; Y9-T12 PolarHBondContact O-N 3.47Å; Y9-T12 PolarHBondContact O-OG1 2.85Å; Y9-T12 VanDerWaalsContact O-OG1 3.11Å; T12-T14 VanDerWaalsContact C-N 3.34Å; T12-T14 PolarHBondContact O-N 3.26Å; T12-I15 PolarHBondContact O-N 2.99Å; T12-L16 WeakPolarHBondContact O-CB 3.11Å; T12-L16 PolarHBondContact O-N 3.37Å
13	A	78.1	Confident	70.4	Confident	34 Å²	34	116.4 Å²	116.4	28%	0.281	56%	0.559	S	S	.	*	H	α-helix	trans	-62	-42	174.2	0	0	0	0	0	111.7	Y9 L16 I17	Y9-A13 VanDerWaalsContact O-CB 3.28Å; Y9-A13 WeakPolarHBondContact O-CB 3.23Å; Y9-A13 PolarHBondContact O-N 2.96Å; A13-L16 PolarHBondContact O-N 3.43Å; A13-I17 WeakPolarHBondContact O-CD1 3.22Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.36Å; A13-I17 PolarHBondContact O-N 3.36Å
14	T	81	Confident	69.8	Low	69 Å²	69	114.6 Å²	114.6	42%	0.423	55%	0.55	S	S	.	*	H	α-helix	trans	-64.9	-42.4	178	-54.7	0	0	0	0	111.3	M10 F11 T12 L16 I17 I18	M10-T14 VanDerWaalsContact O-CB 3.3Å; M10-T14 WeakPolarHBondContact O-CB 3.46Å; M10-T14 PolarHBondContact O-N 3.27Å; M10-T14 PolarHBondContact O-OG1 3.28Å; F11-T14 PolarHBondContact O-N 3.24Å; T12-T14 VanDerWaalsContact C-N 3.34Å; T12-T14 PolarHBondContact O-N 3.26Å; T14-L16 PolarHBondContact O-N 3.36Å; T14-I17 PolarHBondContact O-N 3Å; T14-I18 HydrophobicContact CG2-CD1 3.87Å; T14-I18 HydrophobicContact CG2-CG1 4.43Å; T14-I18 WeakPolarHBondContact O-CB 3.05Å; T14-I18 VanDerWaalsContact O-CG1 3.29Å; T14-I18 WeakPolarHBondContact O-CG1 3.34Å; T14-I18 PolarHBondContact O-N 2.7Å
15	I	77.7	Confident	69	Low	92 Å²	92	107.5 Å²	107.5	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-42.4	174.8	-71.2	170.6	0	0	0	111.4	F11 T12 I17 I18 G19	F11-I15 HydrophobicContact CD1-CD1 3.62Å; F11-I15 HydrophobicContact CE1-CD1 3.28Å; F11-I15 HydrophobicContact CE1-CG1 4.37Å; F11-I15 HydrophobicContact CE2-CD1 4.49Å; F11-I15 HydrophobicContact CG-CD1 4.38Å; F11-I15 HydrophobicContact CZ-CD1 3.76Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 3.42Å; T12-I15 PolarHBondContact O-N 2.99Å; I15-I17 VanDerWaalsContact C-N 3.34Å; I15-I17 PolarHBondContact O-N 3.42Å; I15-I18 PolarHBondContact O-N 2.7Å; I15-G19 PolarHBondContact O-N 3.18Å
16	L	74.3	Confident	67.9	Low	118 Å²	118	107.1 Å²	107.1	62%	0.618	53%	0.526	S	S	*	.	H	α-helix	trans	-63.3	-40	176.7	-92	156.1	0	0	0	112.3	T12 A13 T14 R20	T12-L16 WeakPolarHBondContact O-CB 3.11Å; T12-L16 PolarHBondContact O-N 3.37Å; A13-L16 PolarHBondContact O-N 3.43Å; T14-L16 PolarHBondContact O-N 3.36Å; L16-R20 WeakPolarHBondContact O-CB 3.41Å; L16-R20 PolarHBondContact O-N 3.31Å
17	I	75.4	Confident	66.7	Low	98 Å²	98	101 Å²	101	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-67.5	-46.6	176.8	-68.4	164.8	0	0	0	110.3	A13 T14 I15 G19 R20 I21	A13-I17 WeakPolarHBondContact O-CD1 3.22Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.36Å; A13-I17 PolarHBondContact O-N 3.36Å; T14-I17 PolarHBondContact O-N 3Å; I15-I17 VanDerWaalsContact C-N 3.34Å; I15-I17 PolarHBondContact O-N 3.42Å; I17-G19 VanDerWaalsContact C-N 3.34Å; I17-G19 PolarHBondContact O-N 2.89Å; I17-R20 PolarHBondContact O-N 3.01Å; I17-I21 HydrophobicContact CG2-CD1 3.73Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 VanDerWaalsContact O-CG1 3.31Å; I17-I21 WeakPolarHBondContact O-CG1 3.26Å; I17-I21 PolarHBondContact O-N 3.23Å
18	I	69.2	Low	65.2	Low	86 Å²	86	100.2 Å²	100.2	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-61.8	-42.8	176.4	-67.6	168.7	0	0	0	110.7	T14 I15 R20 I21 N22	T14-I18 HydrophobicContact CG2-CD1 3.87Å; T14-I18 HydrophobicContact CG2-CG1 4.43Å; T14-I18 WeakPolarHBondContact O-CB 3.05Å; T14-I18 VanDerWaalsContact O-CG1 3.29Å; T14-I18 WeakPolarHBondContact O-CG1 3.34Å; T14-I18 PolarHBondContact O-N 2.7Å; I15-I18 PolarHBondContact O-N 2.7Å; I18-R20 VanDerWaalsContact C-N 3.32Å; I18-R20 PolarHBondContact O-N 3Å; I18-I21 PolarHBondContact O-N 2.8Å; I18-N22 WeakPolarHBondContact O-CB 3.46Å; I18-N22 PolarHBondContact O-N 3.22Å
19	G	65.6	Low	63.3	Low	37 Å²	37	99.2 Å²	99.2	38%	0.381	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-37.2	176.1	0	0	0	0	0	113	I15 I17 K23	I15-G19 PolarHBondContact O-N 3.18Å; I17-G19 VanDerWaalsContact C-N 3.34Å; I17-G19 PolarHBondContact O-N 2.89Å; G19-K23 PolarHBondContact O-N 2.94Å
20	R	59.6	Low	61.7	Low	193 Å²	193	99.2 Å²	99.2	73%	0.728	51%	0.508	S	S	*	.	H	α-helix	trans	-69.3	-42.6	172.8	-85.6	-177.2	167.4	176.4	-2.3	112.5	L16 I17 I18 K23 N24	L16-R20 WeakPolarHBondContact O-CB 3.41Å; L16-R20 PolarHBondContact O-N 3.31Å; I17-R20 PolarHBondContact O-N 3.01Å; I18-R20 VanDerWaalsContact C-N 3.32Å; I18-R20 PolarHBondContact O-N 3Å; R20-K23 PolarHBondContact O-N 3.12Å; R20-N24 WeakPolarHBondContact O-CB 2.88Å; R20-N24 PolarHBondContact O-N 2.92Å
21	I	59.8	Low	59.9	Low	85 Å²	85	98.8 Å²	98.8	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-44.9	177.4	-68.2	168.3	0	0	0	109.8	I17 I18 N24 I25	I17-I21 HydrophobicContact CG2-CD1 3.73Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 VanDerWaalsContact O-CG1 3.31Å; I17-I21 WeakPolarHBondContact O-CG1 3.26Å; I17-I21 PolarHBondContact O-N 3.23Å; I18-I21 PolarHBondContact O-N 2.8Å; I21-N24 CarbonylContact O-C 3.48Å; I21-N24 PolarHBondContact O-N 2.96Å; I21-N24 VanDerWaalsContact O-N 3.13Å; I21-I25 HydrophobicContact CG2-CD1 3.63Å; I21-I25 HydrophobicContact CG2-CG1 4.18Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 2.99Å; I21-I25 PolarHBondContact O-N 2.84Å
22	N	55.6	Low	57.8	Low	88 Å²	88	98.9 Å²	98.9	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-42.6	177.7	-79.6	-4.6	0	0	0	112.3	I18 N24 I25 E26	I18-N22 WeakPolarHBondContact O-CB 3.46Å; I18-N22 PolarHBondContact O-N 3.22Å; N22-N24 VanDerWaalsContact C-N 3.28Å; N22-N24 PolarHBondContact O-N 3.44Å; N22-I25 PolarHBondContact O-N 2.73Å; N22-E26 WeakPolarHBondContact O-CB 3.01Å; N22-E26 PolarHBondContact O-N 3.34Å
23	K	57.3	Low	55.6	Low	156 Å²	156	105.2 Å²	105.2	68%	0.678	54%	0.536	S	S	*	.	H	α-helix	trans	-60.5	-38.4	172.2	-89.3	-172	174.1	-175.6	0	112.4	G19 R20 A27	G19-K23 PolarHBondContact O-N 2.94Å; R20-K23 PolarHBondContact O-N 3.12Å; K23-A27 VanDerWaalsContact O-CB 3.28Å; K23-A27 WeakPolarHBondContact O-CB 3.18Å; K23-A27 PolarHBondContact O-N 3.25Å
24	N	46.7	Very low	53.5	Low	115 Å²	115	106.5 Å²	106.5	62%	0.615	54%	0.543	S	S	*	.	H	α-helix	trans	-71.1	-36.1	176.4	-79.9	-9	0	0	0	112.4	R20 I21 N22 A27 S28	R20-N24 WeakPolarHBondContact O-CB 2.88Å; R20-N24 PolarHBondContact O-N 2.92Å; I21-N24 CarbonylContact O-C 3.48Å; I21-N24 PolarHBondContact O-N 2.96Å; I21-N24 VanDerWaalsContact O-N 3.13Å; N22-N24 VanDerWaalsContact C-N 3.28Å; N22-N24 PolarHBondContact O-N 3.44Å; N24-A27 PolarHBondContact O-N 3.45Å; N24-S28 WeakPolarHBondContact O-CB 2.87Å; N24-S28 PolarHBondContact O-N 3.36Å
25	I	46.4	Very low	51	Low	75 Å²	75	110.4 Å²	110.4	39%	0.385	56%	0.556	S	S	.	*	H	α-helix	trans	-69.2	-43.4	174.5	-68.1	170.1	0	0	0	109.9	I21 N22 A27 S28 Q29	I21-I25 HydrophobicContact CG2-CD1 3.63Å; I21-I25 HydrophobicContact CG2-CG1 4.18Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 2.99Å; I21-I25 PolarHBondContact O-N 2.84Å; N22-I25 PolarHBondContact O-N 2.73Å; I25-A27 VanDerWaalsContact C-N 3.34Å; I25-A27 PolarHBondContact O-N 3.44Å; I25-S28 CarbonylContact O-C 3.38Å; I25-S28 PolarHBondContact O-N 2.98Å; I25-S28 VanDerWaalsContact O-N 3.14Å; I25-Q29 HydrophobicContact CG2-CG 4.1Å; I25-Q29 WeakPolarHBondContact O-CB 3.45Å; I25-Q29 WeakPolarHBondContact O-CG 3.19Å; I25-Q29 PolarHBondContact O-N 3.12Å
26	E	45.2	Very low	48.5	Very low	134 Å²	134	115 Å²	115	63%	0.626	58%	0.575	S	S	*	*	H	α-helix	trans	-59.6	-44.8	173	-83.3	-175.3	156.6	0	0	111	N22 S28 Q29 K30	N22-E26 WeakPolarHBondContact O-CB 3.01Å; N22-E26 PolarHBondContact O-N 3.34Å; E26-S28 VanDerWaalsContact C-N 3.31Å; E26-S28 PolarHBondContact O-N 3.25Å; E26-Q29 PolarHBondContact O-N 2.96Å; E26-K30 WeakPolarHBondContact O-CB 2.89Å; E26-K30 PolarHBondContact O-N 2.98Å
27	A	48.2	Very low	46.2	Very low	49 Å²	49	119 Å²	119	41%	0.405	59%	0.587	S	S	.	*	H	α-helix	trans	-62.1	-38.7	174.4	0	0	0	0	0	111.9	K23 N24 I25 N31	K23-A27 VanDerWaalsContact O-CB 3.28Å; K23-A27 WeakPolarHBondContact O-CB 3.18Å; K23-A27 PolarHBondContact O-N 3.25Å; N24-A27 PolarHBondContact O-N 3.45Å; I25-A27 VanDerWaalsContact C-N 3.34Å; I25-A27 PolarHBondContact O-N 3.44Å; A27-N31 PolarHBondContact O-N 3.09Å; A27-N31 PolarHBondContact O-ND2 3.19Å
28	S	39.1	Very low	43.8	Very low	59 Å²	59	121.7 Å²	121.7	41%	0.413	60%	0.596	S	S	.	*	H	α-helix	trans	-73.3	-37.3	178.4	-170.2	0	0	0	0	112.9	N24 I25 E26 N31 Q32	N24-S28 WeakPolarHBondContact O-CB 2.87Å; N24-S28 PolarHBondContact O-N 3.36Å; I25-S28 CarbonylContact O-C 3.38Å; I25-S28 PolarHBondContact O-N 2.98Å; I25-S28 VanDerWaalsContact O-N 3.14Å; E26-S28 VanDerWaalsContact C-N 3.31Å; E26-S28 PolarHBondContact O-N 3.25Å; S28-N31 PolarHBondContact O-N 3.21Å; S28-Q32 PolarHBondContact O-N 3.15Å
29	Q	39.2	Very low	41.7	Very low	122 Å²	122	126.6 Å²	126.6	57%	0.57	62%	0.616	S	S	*	*	H	α-helix	trans	-71.5	-38.1	176.6	-76.7	-176.1	-6.2	0	0	111	I25 E26 N31 Q32 H33	I25-Q29 HydrophobicContact CG2-CG 4.1Å; I25-Q29 WeakPolarHBondContact O-CB 3.45Å; I25-Q29 WeakPolarHBondContact O-CG 3.19Å; I25-Q29 PolarHBondContact O-N 3.12Å; E26-Q29 PolarHBondContact O-N 2.96Å; Q29-N31 PolarHBondContact O-N 3.29Å; Q29-Q32 PolarHBondContact O-N 3.45Å; Q29-H33 PolarHBondContact O-N 3.31Å; Q29-H33 VanDerWaalsContact O-N 3.11Å
30	K	44.3	Very low	39.8	Very low	177 Å²	177	131.1 Å²	131.1	77%	0.77	64%	0.636	S	S	*	*	H	α-helix	trans	-59.4	-33.7	169.8	-123.8	176	-178.5	176.9	0	111.8	E26	E26-K30 WeakPolarHBondContact O-CB 2.89Å; E26-K30 PolarHBondContact O-N 2.98Å
31	N	38.5	Very low	38.1	Very low	101 Å²	101	127.8 Å²	127.8	54%	0.54	63%	0.633	S	S	.	*	H	α-helix	trans	-77.4	-38.5	175	-76	-26.5	0	0	0	112.7	A27 S28 Q29 H33 S34 H35	A27-N31 PolarHBondContact O-N 3.09Å; A27-N31 PolarHBondContact O-ND2 3.19Å; S28-N31 PolarHBondContact O-N 3.21Å; Q29-N31 PolarHBondContact O-N 3.29Å; N31-H33 PolarHBondContact O-N 3.06Å; N31-S34 PolarHBondContact O-N 3.42Å; N31-H35 PolarHBondContact O-CD2 3.29Å; N31-H35 PolarHBondContact O-N 3.13Å
32	Q	32.9	Very low	36.6	Very low	137 Å²	137	128.1 Å²	128.1	64%	0.64	64%	0.643	S	S	*	*	H	α-helix	trans	-68.8	-32.6	-179.4	-79.7	-171.7	-19.5	0	0	113.7	S28 Q29 S34 H35	S28-Q32 PolarHBondContact O-N 3.15Å; Q29-Q32 PolarHBondContact O-N 3.45Å; Q32-S34 PolarHBondContact O-N 2.89Å; Q32-H35 PolarHBondContact O-N 3.28Å
33	H	32.6	Very low	35.2	Very low	185 Å²	185	131.9 Å²	131.9	86%	0.856	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-6	171.2	-95.6	3.7	0	0	0	114.3	Q29 N31	Q29-H33 PolarHBondContact O-N 3.31Å; Q29-H33 VanDerWaalsContact O-N 3.11Å; N31-H33 PolarHBondContact O-N 3.06Å
34	S	35.3	Very low	33.7	Very low	61 Å²	61	128.7 Å²	128.7	43%	0.427	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.8	1.6	173.4	-172.1	0	0	0	0	113.9	N31 Q32	N31-S34 PolarHBondContact O-N 3.42Å; Q32-S34 PolarHBondContact O-N 2.89Å
35	H	27.9	Very low	33.1	Very low	151 Å²	151	125.9 Å²	125.9	70%	0.699	64%	0.641	S	S	*	*			trans	-87.3	-2.4	-177.1	-90	-63.1	0	0	0	115	N31 Q32 K37	N31-H35 PolarHBondContact O-CD2 3.29Å; N31-H35 PolarHBondContact O-N 3.13Å; Q32-H35 PolarHBondContact O-N 3.28Å; H35-K37 PolarHBondContact O-N 3.1Å
36	E	25	Very low	32.3	Very low	188 Å²	188	127 Å²	127	88%	0.879	65%	0.646	S	S	*	*	S	Bend	trans	-81.7	99.3	159.4	-106.4	-175	153.8	0	0	109.8
37	K	26.2	Very low	31.5	Very low	201 Å²	201	128 Å²	128	87%	0.874	65%	0.646	S	S	*	*	S	Bend	trans	60.2	62.5	168.8	-65.8	179.5	176.3	171.8	0	116.9	H35	H35-K37 PolarHBondContact O-N 3.1Å
38	K	26.3	Very low	30.8	Very low	156 Å²	156	127 Å²	127	68%	0.678	64%	0.641	S	S	*	*			trans	-136.2	108.1	148.6	-76.7	-169.9	179.8	168.7	0	112	V40	K38-V40 PolarHBondContact O-N 3.48Å
39	H	24.4	Very low	30.7	Very low	188 Å²	188	132.6 Å²	132.6	87%	0.87	66%	0.66	S	S	*	*			trans	-41.1	130.1	161.2	-106.4	-102.2	0	0	0	110.7	N41	H39-N41 PolarHBondContact O-N 3.47Å
40	V	25.5	Very low	31	Very low	132 Å²	132	135.7 Å²	135.7	80%	0.8	67%	0.666	S	S	*	*			trans	-14	94.2	168.3	-174.5	0	0	0	0	113.2	K38 S42	K38-V40 PolarHBondContact O-N 3.48Å; V40-S42 VanDerWaalsContact C-N 3.29Å; V40-S42 PolarHBondContact O-N 3.1Å
41	N	25	Very low	31.2	Very low	124 Å²	124	132.1 Å²	132.1	66%	0.663	66%	0.656	S	S	*	*			trans	-90.9	66.5	178.6	-143.9	10.4	0	0	0	108.5	H39 Q43	H39-N41 PolarHBondContact O-N 3.47Å; N41-Q43 PolarHBondContact O-N 3.18Å; N41-Q43 VanDerWaalsContact O-N 3.15Å
42	S	27.3	Very low	31.9	Very low	92 Å²	92	128.8 Å²	128.8	64%	0.643	65%	0.646	S	S	*	*			trans	-55.9	116.1	153.3	51.2	0	0	0	0	105.6	V40 P44	V40-S42 VanDerWaalsContact C-N 3.29Å; V40-S42 PolarHBondContact O-N 3.1Å; S42-P44 WeakPolarHBondContact O-CD 3.03Å
43	Q	25.6	Very low	32.9	Very low	167 Å²	167	126 Å²	126	78%	0.78	64%	0.641	S	S	*	*			trans	-41.7	117.8	-177.4	-83	-177.9	-11.9	0	0	109.3	N41	N41-Q43 PolarHBondContact O-N 3.18Å; N41-Q43 VanDerWaalsContact O-N 3.15Å
44	P	26.4	Very low	34	Very low	88 Å²	88	118.9 Å²	118.9	57%	0.571	61%	0.609	S	S	*	*			trans	-58.7	139.9	-175.5	-8.1	11	0	0	0	109	S42 I46	S42-P44 WeakPolarHBondContact O-CD 3.03Å; P44-I46 PolarHBondContact O-N 3.32Å; P44-I46 VanDerWaalsContact O-N 3.13Å
45	P	34.1	Very low	34.9	Very low	56 Å²	56	123 Å²	123	36%	0.364	62%	0.62	S	S	.	*			trans	-51.8	125.5	172.2	-13.8	20	0	0	0	109.1	Y47	P45-Y47 VanDerWaalsContact C-N 3.34Å; P45-Y47 HydrophobicContact CB-CD2 4.19Å; P45-Y47 HydrophobicContact CB-CE2 3.67Å; P45-Y47 HydrophobicContact CG-CE2 3.83Å; P45-Y47 WeakPolarHBondContact O-CD2 3.27Å; P45-Y47 PolarHBondContact O-N 3.36Å
46	I	30.1	Very low	35.9	Very low	98 Å²	98	118.7 Å²	118.7	50%	0.503	62%	0.616	S	S	.	*			trans	-71.2	93	177.2	-59.7	173.5	0	0	0	107.6	P44 G48 L54	P44-I46 PolarHBondContact O-N 3.32Å; P44-I46 VanDerWaalsContact O-N 3.13Å; I46-G48 PolarHBondContact O-N 3.29Å; I46-G48 VanDerWaalsContact O-N 3.1Å; I46-L54 HydrophobicContact CG2-CD2 4.46Å
47	Y	28.5	Very low	37.5	Very low	156 Å²	156	111.9 Å²	111.9	61%	0.612	59%	0.585	S	S	*	*			trans	-77	90.5	175.6	-68.4	-80	0	0	0	110.2	P45	P45-Y47 VanDerWaalsContact C-N 3.34Å; P45-Y47 HydrophobicContact CB-CD2 4.19Å; P45-Y47 HydrophobicContact CB-CE2 3.67Å; P45-Y47 HydrophobicContact CG-CE2 3.83Å; P45-Y47 WeakPolarHBondContact O-CD2 3.27Å; P45-Y47 PolarHBondContact O-N 3.36Å
48	G	32.3	Very low	38.6	Very low	29 Å²	29	106.5 Å²	106.5	30%	0.299	57%	0.573	S	S	.	*	B	Isolated β-bridge	trans	-81.4	130.7	177.4	0	0	0	0	0	113.7	I46	I46-G48 PolarHBondContact O-N 3.29Å; I46-G48 VanDerWaalsContact O-N 3.1Å
49	Q	36.9	Very low	39.9	Very low	176 Å²	176	99.7 Å²	99.7	82%	0.822	55%	0.547	S	S	*	.			trans	-53.9	160.9	176.3	-66.6	-177.8	-9.7	0	0	113.9	N51 N70	Q49-N51 CarbonylContact O-C 3.43Å; Q49-N51 PolarHBondContact O-N 3.05Å; Q49-N70 PolarHBondContact O-OD1 2.71Å
50	R	45.6	Very low	41.1	Very low	187 Å²	187	98.3 Å²	98.3	71%	0.706	54%	0.541	S	S	*	.	S	Bend	trans	-46.8	-12.4	-165.7	-68	-178.1	177.2	-158.2	0.8	118.4	N70	R50-N70 PolarHBondContact O-OD1 3.13Å
51	N	49.9	Very low	42.3	Very low	101 Å²	101	96.6 Å²	96.6	54%	0.54	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.9	167.7	-67.6	-53.1	0	0	0	108.4	Q49 N70 N91	Q49-N51 CarbonylContact O-C 3.43Å; Q49-N51 PolarHBondContact O-N 3.05Å; N51-N70 PolarHBondContact N-OD1 3.14Å; N51-N91 WeakPolarHBondContact CA-O 3.22Å; N51-N91 PolarHBondContact OD1-N 3.2Å; N51-N91 VanDerWaalsContact OD1-N 3.09Å
52	G	52	Low	43.3	Very low	32 Å²	32	93.8 Å²	93.8	33%	0.33	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	152.7	-178.7	0	0	0	0	0	113.4	N91 G92 S93	G52-N91 PolarHBondContact N-O 3.38Å; G52-G92 WeakPolarHBondContact O-CA 3.08Å; G52-S93 PolarHBondContact O-N 3.28Å
53	S	53.8	Low	44.4	Very low	79 Å²	79	96 Å²	96	55%	0.552	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	125.8	171.4	59.3	0	0	0	0	109.6	S93	S53-S93 CarbonylContact C-O 3.49Å; S53-S93 WeakPolarHBondContact CA-O 3.42Å; S53-S93 WeakPolarHBondContact CB-OG 2.92Å
54	L	55.3	Low	45.6	Very low	35 Å²	35	90.1 Å²	90.1	18%	0.183	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.7	173	-75	173.6	0	0	0	108.6	I46 I67 L69 S93 L94 S95	I46-L54 HydrophobicContact CG2-CD2 4.46Å; L54-I67 HydrophobicContact CD1-CG2 4.29Å; L54-L69 HydrophobicContact CD1-CD1 3.91Å; L54-L69 HydrophobicContact CG-CD1 4.26Å; L54-S93 PolarHBondContact N-O 3.47Å; L54-L94 HydrophobicContact CB-CD1 3.45Å; L54-L94 VanDerWaalsContact CB-CD1 3.45Å; L54-L94 HydrophobicContact CD1-CD1 4.32Å; L54-L94 WeakPolarHBondContact O-CA 3.1Å; L54-S95 PolarHBondContact O-N 3.03Å
55	K	53.9	Low	47	Very low	148 Å²	148	87.3 Å²	87.3	64%	0.643	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.4	179.1	-61.1	-165.7	174.8	178.6	0	111.6	S95	K55-S95 WeakPolarHBondContact CA-O 3.23Å; K55-S95 WeakPolarHBondContact CG-OG 3.35Å
56	G	50.6	Low	48	Very low	60 Å²	60	91.4 Å²	91.4	62%	0.619	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	71.6	43.1	163.5	0	0	0	0	0	114.7	S95 G96	G56-S95 PolarHBondContact N-O 2.89Å; G56-S95 VanDerWaalsContact N-O 3.14Å; G56-G96 CarbonylContact C-O 3.6Å; G56-G96 WeakPolarHBondContact CA-O 3.36Å; G56-G96 PolarHBondContact N-O 3.29Å
57	L	57.6	Low	49.3	Very low	44 Å²	44	87.3 Å²	87.3	23%	0.23	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118	173.9	-47.3	168.3	0	0	0	108.6	I67 G96 L97 S98	L57-I67 HydrophobicContact CD1-CD1 3.7Å; L57-I67 HydrophobicContact CD1-CG1 4.17Å; L57-G96 PolarHBondContact N-O 3.04Å; L57-L97 HydrophobicContact CB-CD2 3.52Å; L57-L97 HydrophobicContact CD1-CD2 3.78Å; L57-L97 HydrophobicContact CG-CD2 3.79Å; L57-L97 VanDerWaalsContact O-CA 3.26Å; L57-L97 WeakPolarHBondContact O-CA 3.28Å; L57-S98 PolarHBondContact O-N 2.9Å
58	S	49.8	Very low	50.7	Low	89 Å²	89	81 Å²	81	62%	0.622	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.6	169.8	53.5	0	0	0	0	110	S98	S58-S98 WeakPolarHBondContact CA-O 3.25Å
59	G	53.1	Low	51.9	Low	12 Å²	12	79.7 Å²	79.7	12%	0.124	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.7	172	0	0	0	0	0	110.8	M65 S98 E100 Q103	G59-M65 VanDerWaalsContact CA-CE 3.44Å; G59-S98 PolarHBondContact N-O 2.91Å; G59-E100 PolarHBondContact O-N 2.91Å; G59-Q103 PolarHBondContact O-NE2 3.08Å
60	E	49.7	Very low	53	Low	160 Å²	160	71.5 Å²	71.5	75%	0.748	41%	0.405	S	S	*	.			trans	-93.8	154.3	171.3	-67.2	-178.2	-175.7	0	0	111.5	Q103	E60-Q103 PolarHBondContact O-NE2 2.92Å; E60-Q103 VanDerWaalsContact O-NE2 3.13Å
61	N	49.8	Very low	53.3	Low	96 Å²	96	64.3 Å²	64.3	51%	0.513	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34	132.5	-170.4	-70.5	-45.8	0	0	0	116.8	Q63 N101	N61-Q63 PolarHBondContact O-N 3.3Å; N61-N101 WeakPolarHBondContact OD1-CB 3.22Å; N61-N101 PolarHBondContact OD1-N 3.39Å
62	G	47.3	Very low	53.3	Low	65 Å²	65	61 Å²	61	67%	0.67	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-5.4	160.8	0	0	0	0	0	117.5
63	Q	49.9	Very low	52.8	Low	139 Å²	139	64.3 Å²	64.3	65%	0.65	37%	0.373	S	S	*	.			trans	-105.2	137.2	176.9	-64.4	-172.4	1.1	0	0	112.4	N61	N61-Q63 PolarHBondContact O-N 3.3Å
64	G	51.1	Low	51.8	Low	42 Å²	42	67 Å²	67	43%	0.433	38%	0.377	S	S	.	.			trans	-72.8	127.8	175.8	0	0	0	0	0	111.3	V104	G64-V104 CarbonylContact C-O 3.55Å; G64-V104 VanDerWaalsContact CA-O 3.29Å; G64-V104 WeakPolarHBondContact CA-O 3.15Å
65	M	54.8	Low	50.7	Low	30 Å²	30	71.3 Å²	71.3	15%	0.148	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.8	-179.7	-171	-173.7	-68.5	0	0	110	G59 I67 V104 I105 Y106	G59-M65 VanDerWaalsContact CA-CE 3.44Å; M65-I67 HydrophobicContact CG-CD1 4.08Å; M65-I67 HydrophobicContact CG-CG1 4.04Å; M65-I67 HydrophobicContact SD-CD1 3.59Å; M65-I67 VanDerWaalsContact SD-CD1 3.59Å; M65-I67 HydrophobicContact SD-CG1 4.22Å; M65-V104 PolarHBondContact N-O 2.83Å; M65-I105 HydrophobicContact CB-CG1 4.35Å; M65-I105 HydrophobicContact CB-CG2 4.39Å; M65-I105 WeakPolarHBondContact O-CA 3.18Å; M65-Y106 PolarHBondContact O-N 3.07Å
66	Y	56	Low	49.4	Very low	142 Å²	142	67.6 Å²	67.6	56%	0.557	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	105.7	178.1	-64.8	-94.1	0	0	0	110.4	Y106	Y66-Y106 AromaticContact CD1-CD2 3.65Å; Y66-Y106 HydrophobicContact CD1-CD2 3.65Å; Y66-Y106 AromaticContact CD1-CG 3.93Å; Y66-Y106 HydrophobicContact CD1-CG 3.93Å; Y66-Y106 AromaticContact CE1-CD2 3.15Å; Y66-Y106 HydrophobicContact CE1-CD2 3.15Å; Y66-Y106 AromaticContact CE1-CE2 3.65Å; Y66-Y106 HydrophobicContact CE1-CE2 3.65Å; Y66-Y106 AromaticContact CE1-CG 3.76Å; Y66-Y106 HydrophobicContact CE1-CG 3.76Å; Y66-Y106 HydrophobicContact CE2-CD2 4.45Å; Y66-Y106 HydrophobicContact CG-CD2 4.47Å; Y66-Y106 AromaticContact CZ-CD2 3.63Å; Y66-Y106 AromaticContact CZ-CE2 3.82Å
67	I	57.6	Low	48.2	Very low	12 Å²	12	71.8 Å²	71.8	6%	0.062	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.7	178	-59.5	167.1	0	0	0	109.2	L54 L57 M65 L94 L97 Y106 I107 T108	L54-I67 HydrophobicContact CD1-CG2 4.29Å; L57-I67 HydrophobicContact CD1-CD1 3.7Å; L57-I67 HydrophobicContact CD1-CG1 4.17Å; M65-I67 HydrophobicContact CG-CD1 4.08Å; M65-I67 HydrophobicContact CG-CG1 4.04Å; M65-I67 HydrophobicContact SD-CD1 3.59Å; M65-I67 VanDerWaalsContact SD-CD1 3.59Å; M65-I67 HydrophobicContact SD-CG1 4.22Å; I67-L94 HydrophobicContact CG2-CD1 4.32Å; I67-L94 HydrophobicContact CG2-CD2 3.9Å; I67-L97 HydrophobicContact CD1-CD1 3.45Å; I67-L97 VanDerWaalsContact CD1-CD1 3.45Å; I67-L97 HydrophobicContact CD1-CD2 4.01Å; I67-L97 HydrophobicContact CD1-CG 4.42Å; I67-Y106 PolarHBondContact N-O 3.2Å; I67-I107 HydrophobicContact CB-CG1 4.33Å; I67-I107 HydrophobicContact CD1-CG1 4.33Å; I67-I107 WeakPolarHBondContact O-CA 3.16Å; I67-T108 PolarHBondContact O-N 2.83Å
68	T	56.8	Low	46.5	Very low	22 Å²	22	78.1 Å²	78.1	14%	0.135	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	105.7	177.9	-64.1	0	0	0	0	109.5	T71 T108	T68-T71 HydrophobicContact CG2-CG2 3.45Å; T68-T71 VanDerWaalsContact CG2-CG2 3.45Å; T68-T71 WeakPolarHBondContact CG2-OG1 2.96Å; T68-T108 WeakPolarHBondContact CA-O 3.07Å
69	L	59.4	Low	45.4	Very low	2 Å²	2	82.1 Å²	82.1	1%	0.01	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.9	-179.1	-174.5	69	0	0	0	110.9	L54 T71 T108 M109 N110	L54-L69 HydrophobicContact CD1-CD1 3.91Å; L54-L69 HydrophobicContact CG-CD1 4.26Å; L69-T71 VanDerWaalsContact C-N 3.26Å; L69-T71 PolarHBondContact O-N 2.91Å; L69-T108 PolarHBondContact N-O 3.29Å; L69-M109 HydrophobicContact CB-CG 4.14Å; L69-M109 HydrophobicContact CB-SD 4.48Å; L69-M109 HydrophobicContact CD2-SD 3.88Å; L69-M109 WeakPolarHBondContact O-CA 2.95Å; L69-N110 PolarHBondContact O-N 2.95Å
70	N	58.2	Low	44.8	Very low	5 Å²	5	86.3 Å²	86.3	3%	0.027	46%	0.458	C	S	.	.	S	Bend	trans	55.6	34.1	175	-66.6	-30.8	0	0	0	114.4	Q49 R50 N51 R90 N91 G92 N110	Q49-N70 PolarHBondContact O-OD1 2.71Å; R50-N70 PolarHBondContact O-OD1 3.13Å; N51-N70 PolarHBondContact N-OD1 3.14Å; N70-R90 WeakPolarHBondContact O-CD 3.39Å; N70-R90 PolarHBondContact O-NH1 2.7Å; N70-N91 PolarHBondContact ND2-O 3.42Å; N70-G92 WeakPolarHBondContact ND2-CA 3.13Å; N70-N110 WeakPolarHBondContact CB-OD1 3.41Å; N70-N110 PolarHBondContact ND2-OD1 3.48Å; N70-N110 VanDerWaalsContact ND2-OD1 3.07Å
71	T	52.4	Low	43.9	Very low	36 Å²	36	86.8 Å²	86.8	22%	0.221	46%	0.457	C	S	.	.			trans	-87.6	161.1	171	66.2	0	0	0	0	110.7	T68 L69 T108 S111	T68-T71 HydrophobicContact CG2-CG2 3.45Å; T68-T71 VanDerWaalsContact CG2-CG2 3.45Å; T68-T71 WeakPolarHBondContact CG2-OG1 2.96Å; L69-T71 VanDerWaalsContact C-N 3.26Å; L69-T71 PolarHBondContact O-N 2.91Å; T71-T108 HydrophobicContact CG2-CG2 3.64Å; T71-S111 WeakPolarHBondContact CA-O 3.5Å
72	S	51	Low	42.9	Very low	30 Å²	30	90.3 Å²	90.3	21%	0.21	47%	0.468	C	S	.	.	B	Isolated β-bridge	trans	-119.3	90.4	167.9	48.2	0	0	0	0	105.7	R90	S72-R90 VanDerWaalsContact CB-NH2 3.31Å; S72-R90 PolarHBondContact OG-NH2 2.96Å
73	E	41	Very low	42.1	Very low	103 Å²	103	90.6 Å²	90.6	48%	0.481	46%	0.458	S	S	.	.			trans	-84.8	115.4	163.4	-70.7	179.9	-166.8	0	0	106.4
74	H	32.6	Very low	41.1	Very low	136 Å²	136	88.5 Å²	88.5	63%	0.63	46%	0.457	S	S	*	.			trans	-108.3	92.5	163.4	-118.3	-87.8	0	0	0	105.3	S76	H74-S76 WeakPolarHBondContact ND1-CB 3.07Å; H74-S76 PolarHBondContact ND1-OG 3.07Å; H74-S76 PolarHBondContact O-N 3.21Å
75	N	31.1	Very low	40.3	Very low	124 Å²	124	90.3 Å²	90.3	66%	0.663	46%	0.461	S	S	*	.			trans	-82.3	60.3	157.7	-77.2	-6.4	0	0	0	107.4
76	S	28	Very low	39.2	Very low	71 Å²	71	91.8 Å²	91.8	50%	0.497	47%	0.469	S	S	.	.			trans	-98.6	95.4	177.9	56	0	0	0	0	109.7	H74	H74-S76 WeakPolarHBondContact ND1-CB 3.07Å; H74-S76 PolarHBondContact ND1-OG 3.07Å; H74-S76 PolarHBondContact O-N 3.21Å
77	H	24.5	Very low	38.3	Very low	147 Å²	147	89.1 Å²	89.1	68%	0.681	47%	0.471	S	S	*	.			trans	-55.2	142.8	137.1	-64.6	-82.2	0	0	0	107.2
78	H	22.9	Very low	37.5	Very low	178 Å²	178	90.4 Å²	90.4	82%	0.824	49%	0.488	S	S	*	.			trans	103.9	123.6	179.3	-54.4	-74.4	0	0	0	117.6
79	H	27.2	Very low	37.3	Very low	173 Å²	173	97.7 Å²	97.7	80%	0.801	51%	0.513	S	S	*	.			trans	-42.8	175.1	173.4	-75.6	-83.5	0	0	0	117.8
80	P	39.9	Very low	37.1	Very low	100 Å²	100	99.5 Å²	99.5	65%	0.649	52%	0.519	S	S	*	.			cis	-122.6	168.3	-17	22.1	0.9	0	0	0	114
81	F	31.1	Very low	36.9	Very low	169 Å²	169	102.6 Å²	102.6	74%	0.741	54%	0.536	S	S	*	.	S	Bend	trans	4.1	111.1	167.7	-61.3	-87.7	0	0	0	118.5
82	F	28.7	Very low	37.3	Very low	170 Å²	170	101.1 Å²	101.1	75%	0.746	53%	0.528	S	S	*	.			trans	75.4	81.9	173.3	-48	-79	0	0	0	115.9
83	P	31	Very low	37.7	Very low	71 Å²	71	101.8 Å²	101.8	46%	0.461	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-57.8	140.4	161.5	27.3	-36.1	0	0	0	109.8	P124	P83-P124 HydrophobicContact CB-CG 4.14Å; P83-P124 HydrophobicContact CG-CB 4.35Å; P83-P124 HydrophobicContact CG-CG 3.74Å; P83-P124 WeakPolarHBondContact O-CB 3.38Å
84	P	28.4	Very low	38.4	Very low	96 Å²	96	97 Å²	97	62%	0.623	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-63	154.6	-177.2	22.1	-31.4	0	0	0	112	L86 P124	P84-L86 PolarHBondContact O-N 3.03Å; P84-L86 VanDerWaalsContact O-N 3.09Å; P84-P124 WeakPolarHBondContact O-CB 3.09Å
85	P	33.5	Very low	39.9	Very low	80 Å²	80	91.6 Å²	91.6	52%	0.519	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-51	118	171.2	-22.6	31.8	0	0	0	110.5	S87 P125	P85-S87 PolarHBondContact O-N 3.04Å; P85-P125 HydrophobicContact CB-CG 4.48Å
86	L	32.4	Very low	40.8	Very low	61 Å²	61	87.5 Å²	87.5	32%	0.319	48%	0.475	S	S	.	.			trans	-76.6	84.4	170.7	-64.8	176.1	0	0	0	108.1	P84 L126	P84-L86 PolarHBondContact O-N 3.03Å; P84-L86 VanDerWaalsContact O-N 3.09Å; L86-L126 HydrophobicContact CB-CD2 3.66Å; L86-L126 HydrophobicContact CD1-CD2 3.79Å; L86-L126 HydrophobicContact CG-CD2 4.17Å
87	S	35.9	Very low	42.4	Very low	85 Å²	85	84.3 Å²	84.3	59%	0.594	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.2	168.7	61.6	0	0	0	0	111.1	P85 S127	P85-S87 PolarHBondContact O-N 3.04Å; S87-S127 VanDerWaalsContact CA-O 3.26Å; S87-S127 WeakPolarHBondContact CA-O 3.08Å
88	G	42.3	Very low	43.9	Very low	40 Å²	40	79.8 Å²	79.8	41%	0.412	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	155.8	178	0	0	0	0	0	114.6	G128 R129	G88-G128 WeakPolarHBondContact O-CA 3.42Å; G88-R129 PolarHBondContact O-N 3.34Å
89	R	51	Low	45.4	Very low	175 Å²	175	71.4 Å²	71.4	66%	0.66	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.7	162	-67.3	-175	-179.4	-162.6	4.5	107.3	R129	R89-R129 WeakPolarHBondContact CA-O 3.49Å; R89-R129 HydrophobicContact CG-CB 4.41Å
90	R	55.6	Low	46.6	Very low	39 Å²	39	67.2 Å²	67.2	15%	0.147	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.9	170.3	-63.3	-172.3	-173.8	-174.4	4	107.6	N70 S72 S111 R129 R130 N131	N70-R90 WeakPolarHBondContact O-CD 3.39Å; N70-R90 PolarHBondContact O-NH1 2.7Å; S72-R90 VanDerWaalsContact CB-NH2 3.31Å; S72-R90 PolarHBondContact OG-NH2 2.96Å; R90-S111 PolarHBondContact NH1-O 3.25Å; R90-R129 PolarHBondContact N-O 3.27Å; R90-R130 WeakPolarHBondContact O-CA 2.91Å; R90-N131 PolarHBondContact O-N 3.25Å
91	N	55.4	Low	47.3	Very low	70 Å²	70	65.7 Å²	65.7	37%	0.374	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.6	173.8	-65.2	-25.4	0	0	0	108	N51 G52 N70 N131	N51-N91 WeakPolarHBondContact CA-O 3.22Å; N51-N91 PolarHBondContact OD1-N 3.2Å; N51-N91 VanDerWaalsContact OD1-N 3.09Å; G52-N91 PolarHBondContact N-O 3.38Å; N70-N91 PolarHBondContact ND2-O 3.42Å; N91-N131 WeakPolarHBondContact CA-O 3.46Å; N91-N131 WeakPolarHBondContact OD1-CB 3.4Å; N91-N131 PolarHBondContact OD1-ND2 3.01Å
92	G	59.5	Low	48.2	Very low	6 Å²	6	60 Å²	60	6%	0.062	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.1	177.4	0	0	0	0	0	110.2	G52 N70 N131 G132 T133	G52-G92 WeakPolarHBondContact O-CA 3.08Å; N70-G92 WeakPolarHBondContact ND2-CA 3.13Å; G92-N131 PolarHBondContact N-O 3.39Å; G92-N131 VanDerWaalsContact N-O 3.08Å; G92-G132 WeakPolarHBondContact O-CA 3.46Å; G92-T133 PolarHBondContact O-N 2.9Å
93	S	59.9	Low	49.7	Very low	44 Å²	44	52 Å²	52	31%	0.308	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.6	171	60.6	0	0	0	0	109.6	G52 S53 L54 T133	G52-S93 PolarHBondContact O-N 3.28Å; S53-S93 CarbonylContact C-O 3.49Å; S53-S93 WeakPolarHBondContact CA-O 3.42Å; S53-S93 WeakPolarHBondContact CB-OG 2.92Å; L54-S93 PolarHBondContact N-O 3.47Å; S93-T133 CarbonylContact C-O 3.54Å; S93-T133 VanDerWaalsContact CA-O 3.26Å; S93-T133 WeakPolarHBondContact CA-O 3.42Å
94	L	56.7	Low	50.8	Low	1 Å²	1	51 Å²	51	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.8	176.1	179.7	65.6	0	0	0	107.8	L54 I67 L97 I107 M109 T133 L134 S135	L54-L94 HydrophobicContact CB-CD1 3.45Å; L54-L94 VanDerWaalsContact CB-CD1 3.45Å; L54-L94 HydrophobicContact CD1-CD1 4.32Å; L54-L94 WeakPolarHBondContact O-CA 3.1Å; I67-L94 HydrophobicContact CG2-CD1 4.32Å; I67-L94 HydrophobicContact CG2-CD2 3.9Å; L94-L97 HydrophobicContact CD1-CD1 4.17Å; L94-L97 HydrophobicContact CD1-CD2 3.95Å; L94-L97 HydrophobicContact CD1-CG 4.41Å; L94-L97 HydrophobicContact CD2-CD1 3.78Å; L94-L97 HydrophobicContact CG-CD1 3.91Å; L94-L97 HydrophobicContact CG-CD2 4.42Å; L94-L97 HydrophobicContact CG-CG 4.35Å; L94-I107 HydrophobicContact CD2-CD1 4.47Å; L94-I107 HydrophobicContact CD2-CG1 4.46Å; L94-I107 HydrophobicContact CD2-CG2 3.6Å; L94-M109 HydrophobicContact CB-CE 3.94Å; L94-M109 HydrophobicContact CB-SD 3.32Å; L94-M109 WeakPolarHBondContact CB-SD 3.14Å; L94-M109 HydrophobicContact CD2-CE 4.47Å; L94-M109 HydrophobicContact CD2-CG 4.28Å; L94-M109 HydrophobicContact CD2-SD 3.75Å; L94-M109 HydrophobicContact CG-SD 4.21Å; L94-T133 PolarHBondContact N-O 3.07Å; L94-L134 HydrophobicContact CB-CD1 3.62Å; L94-L134 HydrophobicContact CD2-CD1 3.6Å; L94-L134 HydrophobicContact CG-CD1 3.65Å; L94-L134 CarbonylContact O-C 3.59Å; L94-L134 WeakPolarHBondContact O-CA 2.93Å; L94-S135 PolarHBondContact O-N 3.2Å
95	S	63.4	Low	52.1	Low	24 Å²	24	46.9 Å²	46.9	17%	0.168	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.1	178.9	64.3	0	0	0	0	115.8	L54 K55 G56 S135	L54-S95 PolarHBondContact O-N 3.03Å; K55-S95 WeakPolarHBondContact CA-O 3.23Å; K55-S95 WeakPolarHBondContact CG-OG 3.35Å; G56-S95 PolarHBondContact N-O 2.89Å; G56-S95 VanDerWaalsContact N-O 3.14Å; S95-S135 CarbonylContact C-O 3.59Å; S95-S135 WeakPolarHBondContact CA-O 3.12Å; S95-S135 WeakPolarHBondContact CB-O 3.15Å
96	G	50.4	Low	53.3	Low	37 Å²	37	47 Å²	47	38%	0.381	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.7	57	175.7	0	0	0	0	0	111.1	G56 L57 S135 G136	G56-G96 CarbonylContact C-O 3.6Å; G56-G96 WeakPolarHBondContact CA-O 3.36Å; G56-G96 PolarHBondContact N-O 3.29Å; L57-G96 PolarHBondContact N-O 3.04Å; G96-S135 PolarHBondContact N-O 2.85Å; G96-G136 CarbonylContact C-O 3.58Å; G96-G136 WeakPolarHBondContact CA-O 3.22Å; G96-G136 PolarHBondContact N-O 3.17Å; G96-G136 VanDerWaalsContact N-O 3.09Å
97	L	60.7	Low	54.4	Low	5 Å²	5	44.1 Å²	44.1	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.2	168.1	-44.2	178	0	0	0	108.6	L57 I67 L94 I107 G136 L137 S138	L57-L97 HydrophobicContact CB-CD2 3.52Å; L57-L97 HydrophobicContact CD1-CD2 3.78Å; L57-L97 HydrophobicContact CG-CD2 3.79Å; L57-L97 VanDerWaalsContact O-CA 3.26Å; L57-L97 WeakPolarHBondContact O-CA 3.28Å; I67-L97 HydrophobicContact CD1-CD1 3.45Å; I67-L97 VanDerWaalsContact CD1-CD1 3.45Å; I67-L97 HydrophobicContact CD1-CD2 4.01Å; I67-L97 HydrophobicContact CD1-CG 4.42Å; L94-L97 HydrophobicContact CD1-CD1 4.17Å; L94-L97 HydrophobicContact CD1-CD2 3.95Å; L94-L97 HydrophobicContact CD1-CG 4.41Å; L94-L97 HydrophobicContact CD2-CD1 3.78Å; L94-L97 HydrophobicContact CG-CD1 3.91Å; L94-L97 HydrophobicContact CG-CD2 4.42Å; L94-L97 HydrophobicContact CG-CG 4.35Å; L97-I107 HydrophobicContact CD1-CD1 3.58Å; L97-I107 HydrophobicContact CD1-CG1 4.28Å; L97-G136 PolarHBondContact N-O 2.91Å; L97-L137 HydrophobicContact CB-CD2 3.39Å; L97-L137 HydrophobicContact CD1-CD2 3.38Å; L97-L137 HydrophobicContact CG-CD2 3.38Å; L97-L137 VanDerWaalsContact O-CA 3.3Å; L97-L137 WeakPolarHBondContact O-CA 3.17Å; L97-S138 PolarHBondContact O-N 2.97Å
98	S	55.4	Low	55.5	Low	51 Å²	51	42 Å²	42	36%	0.357	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.2	171.2	55.8	0	0	0	0	109.1	L57 S58 G59 S138	L57-S98 PolarHBondContact O-N 2.9Å; S58-S98 WeakPolarHBondContact CA-O 3.25Å; G59-S98 PolarHBondContact N-O 2.91Å; S98-S138 WeakPolarHBondContact CA-O 3.46Å
99	G	54.4	Low	56.4	Low	3 Å²	3	40.1 Å²	40.1	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.1	169.2	0	0	0	0	0	109.7	S138 Q143	G99-S138 PolarHBondContact N-O 3.12Å; G99-S138 VanDerWaalsContact N-O 3.07Å; G99-Q143 PolarHBondContact O-NE2 2.98Å
100	E	53.1	Low	56.7	Low	85 Å²	85	31.8 Å²	31.8	40%	0.397	19%	0.194	S	C	.	.			trans	-100.9	175.7	167.1	-67.3	-178.3	-171.3	0	0	111.1	G59 Q103 Q143	G59-E100 PolarHBondContact O-N 2.91Å; E100-Q103 WeakPolarHBondContact O-CG 3.47Å; E100-Q103 PolarHBondContact O-NE2 2.9Å; E100-Q103 VanDerWaalsContact O-NE2 3.13Å; E100-Q143 VanDerWaalsContact C-NE2 3.32Å; E100-Q143 PolarHBondContact O-NE2 3.03Å
101	N	55.6	Low	56.7	Low	67 Å²	67	30.5 Å²	30.5	36%	0.358	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-35.1	133.4	-165.2	-58.7	-53.7	0	0	0	117.4	N61 Q103 N141	N61-N101 WeakPolarHBondContact OD1-CB 3.22Å; N61-N101 PolarHBondContact OD1-N 3.39Å; N101-Q103 VanDerWaalsContact C-N 3.32Å; N101-Q103 PolarHBondContact O-N 2.85Å; N101-N141 WeakPolarHBondContact CA-O 3.22Å; N101-N141 VanDerWaalsContact OD1-CB 3.29Å; N101-N141 WeakPolarHBondContact OD1-CB 3.34Å; N101-N141 PolarHBondContact OD1-ND2 2.83Å
102	G	49.2	Very low	56.4	Low	51 Å²	51	27.5 Å²	27.5	53%	0.526	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	10.8	162.4	0	0	0	0	0	117.1	N141	G102-N141 PolarHBondContact N-O 2.95Å
103	Q	59.4	Low	55.9	Low	2 Å²	2	28.2 Å²	28.2	1%	0.009	18%	0.183	C	C	.	.			trans	-79.5	144.9	-179.1	-64.7	173	29.2	0	0	112.9	G59 E60 E100 N101 I105 Q143 V144	G59-Q103 PolarHBondContact O-NE2 3.08Å; E60-Q103 PolarHBondContact O-NE2 2.92Å; E60-Q103 VanDerWaalsContact O-NE2 3.13Å; E100-Q103 WeakPolarHBondContact O-CG 3.47Å; E100-Q103 PolarHBondContact O-NE2 2.9Å; E100-Q103 VanDerWaalsContact O-NE2 3.13Å; N101-Q103 VanDerWaalsContact C-N 3.32Å; N101-Q103 PolarHBondContact O-N 2.85Å; Q103-I105 HydrophobicContact CB-CG1 4.4Å; Q103-Q143 HydrophobicContact CB-CG 4.35Å; Q103-Q143 VanDerWaalsContact O-CA 3.29Å; Q103-Q143 WeakPolarHBondContact O-CA 3.46Å; Q103-Q143 WeakPolarHBondContact O-CB 3.41Å; Q103-V144 PolarHBondContact O-N 2.97Å
104	V	55.4	Low	54.8	Low	49 Å²	49	28 Å²	28	30%	0.297	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.7	166	-172.3	0	0	0	0	108.6	G64 M65 Y106 V144 Y146	G64-V104 CarbonylContact C-O 3.55Å; G64-V104 VanDerWaalsContact CA-O 3.29Å; G64-V104 WeakPolarHBondContact CA-O 3.15Å; M65-V104 PolarHBondContact N-O 2.83Å; V104-Y106 HydrophobicContact CB-CE2 4.19Å; V104-Y106 HydrophobicContact CG1-CD2 3.93Å; V104-Y106 HydrophobicContact CG1-CE2 3.24Å; V104-V144 WeakPolarHBondContact CA-O 3.33Å; V104-V144 HydrophobicContact CG1-CB 4.37Å; V104-V144 HydrophobicContact CG2-CB 4.49Å; V104-Y146 HydrophobicContact CG1-CD2 4.17Å; V104-Y146 HydrophobicContact CG1-CE2 4.05Å
105	I	55.2	Low	53.9	Low	10 Å²	10	31.7 Å²	31.7	5%	0.051	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.9	-175.3	-55	178.2	0	0	0	109.1	M65 Q103 I107 V144 I145 Y146	M65-I105 HydrophobicContact CB-CG1 4.35Å; M65-I105 HydrophobicContact CB-CG2 4.39Å; M65-I105 WeakPolarHBondContact O-CA 3.18Å; Q103-I105 HydrophobicContact CB-CG1 4.4Å; I105-I107 HydrophobicContact CG2-CD1 3.93Å; I105-I107 HydrophobicContact CG2-CG1 3.89Å; I105-V144 PolarHBondContact N-O 2.88Å; I105-I145 HydrophobicContact CB-CG1 4.4Å; I105-I145 HydrophobicContact CB-CG2 4.44Å; I105-I145 HydrophobicContact CD1-CG1 4.41Å; I105-Y146 PolarHBondContact O-N 2.95Å
106	Y	57.6	Low	52.3	Low	81 Å²	81	32.1 Å²	32.1	32%	0.318	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.9	174.4	-67.1	-85.4	0	0	0	110.2	M65 Y66 I67 V104 Y146	M65-Y106 PolarHBondContact O-N 3.07Å; Y66-Y106 AromaticContact CD1-CD2 3.65Å; Y66-Y106 HydrophobicContact CD1-CD2 3.65Å; Y66-Y106 AromaticContact CD1-CG 3.93Å; Y66-Y106 HydrophobicContact CD1-CG 3.93Å; Y66-Y106 AromaticContact CE1-CD2 3.15Å; Y66-Y106 HydrophobicContact CE1-CD2 3.15Å; Y66-Y106 AromaticContact CE1-CE2 3.65Å; Y66-Y106 HydrophobicContact CE1-CE2 3.65Å; Y66-Y106 AromaticContact CE1-CG 3.76Å; Y66-Y106 HydrophobicContact CE1-CG 3.76Å; Y66-Y106 HydrophobicContact CE2-CD2 4.45Å; Y66-Y106 HydrophobicContact CG-CD2 4.47Å; Y66-Y106 AromaticContact CZ-CD2 3.63Å; Y66-Y106 AromaticContact CZ-CE2 3.82Å; I67-Y106 PolarHBondContact N-O 3.2Å; V104-Y106 HydrophobicContact CB-CE2 4.19Å; V104-Y106 HydrophobicContact CG1-CD2 3.93Å; V104-Y106 HydrophobicContact CG1-CE2 3.24Å; Y106-Y146 AromaticContact CD1-CD2 3.67Å; Y106-Y146 HydrophobicContact CD1-CD2 3.67Å; Y106-Y146 AromaticContact CD1-CG 3.87Å; Y106-Y146 HydrophobicContact CD1-CG 3.87Å; Y106-Y146 HydrophobicContact CE1-CD1 4.48Å; Y106-Y146 AromaticContact CE1-CD2 3.2Å; Y106-Y146 HydrophobicContact CE1-CD2 3.2Å; Y106-Y146 AromaticContact CE1-CE2 3.7Å; Y106-Y146 HydrophobicContact CE1-CE2 3.7Å; Y106-Y146 AromaticContact CE1-CG 3.66Å; Y106-Y146 HydrophobicContact CE1-CG 3.66Å; Y106-Y146 HydrophobicContact CG-CD2 4.47Å; Y106-Y146 AromaticContact CZ-CD2 3.7Å; Y106-Y146 AromaticContact CZ-CE2 3.85Å
107	I	57.1	Low	51.2	Low	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.7	176.7	-63.6	164.6	0	0	0	108.9	I67 L94 L97 I105 M109 L137 Y146 I147 T148	I67-I107 HydrophobicContact CB-CG1 4.33Å; I67-I107 HydrophobicContact CD1-CG1 4.33Å; I67-I107 WeakPolarHBondContact O-CA 3.16Å; L94-I107 HydrophobicContact CD2-CD1 4.47Å; L94-I107 HydrophobicContact CD2-CG1 4.46Å; L94-I107 HydrophobicContact CD2-CG2 3.6Å; L97-I107 HydrophobicContact CD1-CD1 3.58Å; L97-I107 HydrophobicContact CD1-CG1 4.28Å; I105-I107 HydrophobicContact CG2-CD1 3.93Å; I105-I107 HydrophobicContact CG2-CG1 3.89Å; I107-M109 HydrophobicContact CG2-CG 3.87Å; I107-L137 HydrophobicContact CD1-CD1 3.68Å; I107-L137 HydrophobicContact CD1-CD2 4.24Å; I107-Y146 PolarHBondContact N-O 3.09Å; I107-I147 HydrophobicContact CB-CG1 4.36Å; I107-I147 HydrophobicContact CD1-CG1 4.26Å; I107-T148 PolarHBondContact O-N 3.42Å
108	T	59	Low	49.4	Very low	41 Å²	41	41.9 Å²	41.9	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	110.7	173.2	-61.3	0	0	0	0	109.9	I67 T68 L69 T71 S111 T148	I67-T108 PolarHBondContact O-N 2.83Å; T68-T108 WeakPolarHBondContact CA-O 3.07Å; L69-T108 PolarHBondContact N-O 3.29Å; T71-T108 HydrophobicContact CG2-CG2 3.64Å; T108-S111 VanDerWaalsContact CG2-CB 3.49Å; T108-T148 WeakPolarHBondContact CA-O 2.95Å
109	M	59.6	Low	48.2	Very low	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.9	-179.4	-66.9	-151.2	-66.5	0	0	113	L69 L94 I107 S111 L134 T148 M149 N150	L69-M109 HydrophobicContact CB-CG 4.14Å; L69-M109 HydrophobicContact CB-SD 4.48Å; L69-M109 HydrophobicContact CD2-SD 3.88Å; L69-M109 WeakPolarHBondContact O-CA 2.95Å; L94-M109 HydrophobicContact CB-CE 3.94Å; L94-M109 HydrophobicContact CB-SD 3.32Å; L94-M109 WeakPolarHBondContact CB-SD 3.14Å; L94-M109 HydrophobicContact CD2-CE 4.47Å; L94-M109 HydrophobicContact CD2-CG 4.28Å; L94-M109 HydrophobicContact CD2-SD 3.75Å; L94-M109 HydrophobicContact CG-SD 4.21Å; I107-M109 HydrophobicContact CG2-CG 3.87Å; M109-S111 PolarHBondContact O-N 3.11Å; M109-S111 PolarHBondContact O-OG 2.85Å; M109-L134 HydrophobicContact CE-CB 3.58Å; M109-L134 HydrophobicContact CE-CD1 3.75Å; M109-L134 HydrophobicContact CE-CD2 4.42Å; M109-L134 HydrophobicContact CE-CG 4.13Å; M109-T148 PolarHBondContact N-O 3.38Å; M109-M149 HydrophobicContact CB-CG 4.29Å; M109-M149 HydrophobicContact CE-CG 4.01Å; M109-M149 HydrophobicContact CE-SD 3.22Å; M109-M149 WeakPolarHBondContact CE-SD 3.24Å; M109-M149 WeakPolarHBondContact O-CA 3.29Å; M109-N150 PolarHBondContact O-N 3.46Å
110	N	58.1	Low	47.1	Very low	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	52.7	27.5	176.4	-63.6	-34.4	0	0	0	113.2	L69 N70 R130 N131 G132 N150	L69-N110 PolarHBondContact O-N 2.95Å; N70-N110 WeakPolarHBondContact CB-OD1 3.41Å; N70-N110 PolarHBondContact ND2-OD1 3.48Å; N70-N110 VanDerWaalsContact ND2-OD1 3.07Å; N110-R130 HydrophobicContact CB-CB 4.47Å; N110-R130 VanDerWaalsContact O-CD 3.29Å; N110-R130 WeakPolarHBondContact O-CD 3.3Å; N110-R130 PolarHBondContact O-NH1 3.45Å; N110-N131 PolarHBondContact ND2-O 3.13Å; N110-G132 WeakPolarHBondContact ND2-CA 3.22Å; N110-N150 WeakPolarHBondContact CB-OD1 3.05Å; N110-N150 PolarHBondContact ND2-OD1 3.14Å
111	S	54.7	Low	46.2	Very low	12 Å²	12	51.7 Å²	51.7	8%	0.084	29%	0.289	C	S	.	.			trans	-93.3	154.6	-178.1	-64.7	0	0	0	0	111	T71 R90 T108 M109 T148 S151	T71-S111 WeakPolarHBondContact CA-O 3.5Å; R90-S111 PolarHBondContact NH1-O 3.25Å; T108-S111 VanDerWaalsContact CG2-CB 3.49Å; M109-S111 PolarHBondContact O-N 3.11Å; M109-S111 PolarHBondContact O-OG 2.85Å; S111-T148 PolarHBondContact OG-O 3.22Å; S111-S151 WeakPolarHBondContact CA-O 3.43Å; S111-S151 WeakPolarHBondContact CB-O 3.17Å; S111-S151 PolarHBondContact OG-N 2.49Å
112	S	49.8	Very low	45.1	Very low	7 Å²	7	51.7 Å²	51.7	5%	0.049	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-151.1	131.8	179.9	64.8	0	0	0	0	110.7	L126 R130 S151 S152	S112-L126 VanDerWaalsContact OG-CD1 3.27Å; S112-L126 WeakPolarHBondContact OG-CD1 3.46Å; S112-R130 VanDerWaalsContact OG-CZ 3.26Å; S112-R130 PolarHBondContact OG-NH1 3.31Å; S112-R130 PolarHBondContact OG-NH2 3.2Å; S112-S151 PolarHBondContact N-O 3.06Å; S112-S152 VanDerWaalsContact O-CA 3.22Å; S112-S152 WeakPolarHBondContact O-CA 3.19Å; S112-S152 WeakPolarHBondContact O-CB 3.38Å
113	G	48.8	Very low	44.5	Very low	22 Å²	22	50.7 Å²	50.7	23%	0.227	28%	0.278	C	S	.	.			trans	-167.5	133.9	169.4	0	0	0	0	0	107.9	N115	G113-N115 PolarHBondContact O-N 3.45Å
114	P	38.2	Very low	43.2	Very low	38 Å²	38	51.7 Å²	51.7	25%	0.247	29%	0.285	C	S	.	.			trans	-67.7	129.3	167.2	27.4	-30.1	0	0	0	108.9	S116 P123 P154	P114-S116 VanDerWaalsContact C-N 3.29Å; P114-S116 PolarHBondContact O-N 2.81Å; P114-P123 HydrophobicContact CG-CB 4.38Å; P114-P154 HydrophobicContact CG-CB 4.22Å
115	N	36.7	Very low	42.2	Very low	80 Å²	80	52.1 Å²	52.1	43%	0.428	29%	0.289	S	S	.	.			trans	-88.7	71.9	157.4	-74.8	-17.4	0	0	0	106.6	G113 H117	G113-N115 PolarHBondContact O-N 3.45Å; N115-H117 PolarHBondContact O-N 3.35Å
116	S	29.3	Very low	41.4	Very low	32 Å²	32	52.4 Å²	52.4	22%	0.224	29%	0.29	C	S	.	.			trans	-89.7	109.3	179.6	57.8	0	0	0	0	110.3	P114	P114-S116 VanDerWaalsContact C-N 3.29Å; P114-S116 PolarHBondContact O-N 2.81Å
117	H	27.1	Very low	40.5	Very low	124 Å²	124	50.6 Å²	50.6	57%	0.574	29%	0.29	S	S	*	.			trans	-80.3	138.6	152.3	-62.3	-91.4	0	0	0	106.9	N115	N115-H117 PolarHBondContact O-N 3.35Å
118	H	24.5	Very low	40	Very low	123 Å²	123	51.8 Å²	51.8	57%	0.569	30%	0.302	S	S	*	.	S	Bend	trans	90	120	176	-54.2	-87.4	0	0	0	118.9	F121 Y161	H118-F121 WeakPolarHBondContact O-CD2 3.21Å; H118-F121 WeakPolarHBondContact O-CE2 3.29Å; H118-Y161 PolarHBondContact O-OH 2.99Å
119	L	29	Very low	39.7	Very low	133 Å²	133	54.3 Å²	54.3	70%	0.696	31%	0.307	S	S	*	.	S	Bend	trans	59.1	159.8	149.5	-71.6	167.2	0	0	0	118.7	F121 Y161	L119-F121 WeakPolarHBondContact O-CD2 3.21Å; L119-F121 PolarHBondContact O-N 3.09Å; L119-Y161 PolarHBondContact O-OH 2.83Å
120	P	31.9	Very low	39.6	Very low	103 Å²	103	55.1 Å²	55.1	67%	0.669	31%	0.31	S	S	*	.			trans	-78.8	91	-154.5	31	-32.8	0	0	0	111.8
121	F	34.1	Very low	39.5	Very low	110 Å²	110	56.9 Å²	56.9	48%	0.482	32%	0.319	S	S	.	.			trans	-99.8	141.2	177	-71.8	-78.3	0	0	0	112.1	H118 L119 P123 Y161	H118-F121 WeakPolarHBondContact O-CD2 3.21Å; H118-F121 WeakPolarHBondContact O-CE2 3.29Å; L119-F121 WeakPolarHBondContact O-CD2 3.21Å; L119-F121 PolarHBondContact O-N 3.09Å; F121-P123 WeakPolarHBondContact O-CD 3.48Å; F121-Y161 HydrophobicContact CB-CE1 4.46Å; F121-Y161 WeakPolarHBondContact O-CD1 3.43Å
122	S	32.7	Very low	39.7	Very low	67 Å²	67	56.3 Å²	56.3	47%	0.469	32%	0.316	S	S	.	.			trans	-90.2	99.4	160	-68.3	0	0	0	0	108.2
123	P	37.3	Very low	40.1	Very low	30 Å²	30	58.9 Å²	58.9	20%	0.195	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.4	141.6	175.1	22.3	-34.8	0	0	0	111.4	P114 F121 F162 T164	P114-P123 HydrophobicContact CG-CB 4.38Å; F121-P123 WeakPolarHBondContact O-CD 3.48Å; P123-F162 WeakPolarHBondContact CD-O 3.48Å; P123-T164 WeakPolarHBondContact CB-OG1 3.3Å; P123-T164 WeakPolarHBondContact CG-OG1 3.35Å
124	P	31	Very low	40.5	Very low	22 Å²	22	57.9 Å²	57.9	14%	0.143	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-68.1	142.3	-172.5	27	-30.1	0	0	0	110.7	P83 P84 L126 T164	P83-P124 HydrophobicContact CB-CG 4.14Å; P83-P124 HydrophobicContact CG-CB 4.35Å; P83-P124 HydrophobicContact CG-CG 3.74Å; P83-P124 WeakPolarHBondContact O-CB 3.38Å; P84-P124 WeakPolarHBondContact O-CB 3.09Å; P124-L126 PolarHBondContact O-N 2.8Å; P124-L126 VanDerWaalsContact O-N 3.08Å; P124-T164 WeakPolarHBondContact O-CG2 3.23Å
125	P	35.4	Very low	41.7	Very low	59 Å²	59	57.9 Å²	57.9	38%	0.383	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-55.9	118.6	178.9	22.3	-31	0	0	0	110.4	P85 S127 R165	P85-P125 HydrophobicContact CB-CG 4.48Å; P125-S127 PolarHBondContact O-N 2.81Å; P125-R165 WeakPolarHBondContact CA-O 3.21Å; P125-R165 HydrophobicContact CB-CB 4.32Å
126	L	36.8	Very low	42.4	Very low	16 Å²	16	55.8 Å²	55.8	8%	0.084	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	100.7	173.7	-54.5	177.2	0	0	0	107.5	L86 S112 P124 T164 R165 L166 S167	L86-L126 HydrophobicContact CB-CD2 3.66Å; L86-L126 HydrophobicContact CD1-CD2 3.79Å; L86-L126 HydrophobicContact CG-CD2 4.17Å; S112-L126 VanDerWaalsContact OG-CD1 3.27Å; S112-L126 WeakPolarHBondContact OG-CD1 3.46Å; P124-L126 PolarHBondContact O-N 2.8Å; P124-L126 VanDerWaalsContact O-N 3.08Å; L126-T164 HydrophobicContact CG-CG2 3.97Å; L126-R165 PolarHBondContact N-O 2.91Å; L126-L166 HydrophobicContact CB-CD2 3.64Å; L126-L166 HydrophobicContact CD1-CD2 3.72Å; L126-L166 HydrophobicContact CG-CD2 3.92Å; L126-S167 PolarHBondContact O-N 2.82Å
127	S	40.5	Very low	44	Very low	43 Å²	43	54.8 Å²	54.8	30%	0.301	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.9	175.8	64.9	0	0	0	0	110.8	S87 P125 S167	S87-S127 VanDerWaalsContact CA-O 3.26Å; S87-S127 WeakPolarHBondContact CA-O 3.08Å; P125-S127 PolarHBondContact O-N 2.81Å; S127-S167 VanDerWaalsContact CA-O 3.23Å; S127-S167 WeakPolarHBondContact CA-O 3.18Å; S127-S167 WeakPolarHBondContact CB-OG 3.44Å
128	G	46	Very low	45.5	Very low	26 Å²	26	51.3 Å²	51.3	27%	0.268	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	169.2	179.7	0	0	0	0	0	116.4	G88 S167 G168 R169	G88-G128 WeakPolarHBondContact O-CA 3.42Å; G128-S167 PolarHBondContact N-O 3.37Å; G128-G168 VanDerWaalsContact O-CA 3.29Å; G128-G168 WeakPolarHBondContact O-CA 3.4Å; G128-R169 PolarHBondContact O-N 2.81Å
129	R	53.1	Low	47.1	Very low	93 Å²	93	45.7 Å²	45.7	35%	0.351	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.1	171.2	-173.2	177	178.1	-175.6	-0.8	108.3	G88 R89 R90 N131 R169	G88-R129 PolarHBondContact O-N 3.34Å; R89-R129 WeakPolarHBondContact CA-O 3.49Å; R89-R129 HydrophobicContact CG-CB 4.41Å; R90-R129 PolarHBondContact N-O 3.27Å; R129-N131 PolarHBondContact NE-ND2 3.2Å; R129-N131 PolarHBondContact NE-OD1 3.31Å; R129-R169 VanDerWaalsContact CA-O 3.3Å; R129-R169 WeakPolarHBondContact CA-O 3.5Å; R129-R169 HydrophobicContact CG-CB 4.41Å
130	R	55.8	Low	48.5	Very low	17 Å²	17	43 Å²	43	6%	0.064	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.7	175.8	-55.3	-175	-171.9	-173.2	3.5	108.4	R90 N110 S112 N150 S151 R169 R170 N171	R90-R130 WeakPolarHBondContact O-CA 2.91Å; N110-R130 HydrophobicContact CB-CB 4.47Å; N110-R130 VanDerWaalsContact O-CD 3.29Å; N110-R130 WeakPolarHBondContact O-CD 3.3Å; N110-R130 PolarHBondContact O-NH1 3.45Å; S112-R130 VanDerWaalsContact OG-CZ 3.26Å; S112-R130 PolarHBondContact OG-NH1 3.31Å; S112-R130 PolarHBondContact OG-NH2 3.2Å; R130-N150 HydrophobicContact CB-CB 4.45Å; R130-N150 WeakPolarHBondContact CB-OD1 3.33Å; R130-S151 PolarHBondContact NH1-O 3.18Å; R130-R169 PolarHBondContact N-O 2.92Å; R130-R170 WeakPolarHBondContact O-CA 3.47Å; R130-N171 PolarHBondContact O-N 2.71Å
131	N	56.5	Low	49.8	Very low	37 Å²	37	40.8 Å²	40.8	20%	0.198	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.3	171.4	-48.9	-56.4	0	0	0	107.5	R90 N91 G92 N110 R129 N171	R90-N131 PolarHBondContact O-N 3.25Å; N91-N131 WeakPolarHBondContact CA-O 3.46Å; N91-N131 WeakPolarHBondContact OD1-CB 3.4Å; N91-N131 PolarHBondContact OD1-ND2 3.01Å; G92-N131 PolarHBondContact N-O 3.39Å; G92-N131 VanDerWaalsContact N-O 3.08Å; N110-N131 PolarHBondContact ND2-O 3.13Å; R129-N131 PolarHBondContact NE-ND2 3.2Å; R129-N131 PolarHBondContact NE-OD1 3.31Å; N131-N171 VanDerWaalsContact CA-O 3.25Å; N131-N171 WeakPolarHBondContact CA-O 3.38Å; N131-N171 PolarHBondContact OD1-ND2 3.26Å
132	G	59.7	Low	50.6	Low	1 Å²	1	37.7 Å²	37.7	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.2	178.8	0	0	0	0	0	109.6	G92 N110 N171 G172 T173	G92-G132 WeakPolarHBondContact O-CA 3.46Å; N110-G132 WeakPolarHBondContact ND2-CA 3.22Å; G132-N171 PolarHBondContact N-O 3.43Å; G132-G172 CarbonylContact O-C 3.54Å; G132-G172 WeakPolarHBondContact O-CA 3.25Å; G132-T173 PolarHBondContact O-N 3.44Å
133	T	58.7	Low	51.9	Low	61 Å²	61	34.5 Å²	34.5	37%	0.374	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123	170.4	-53.1	0	0	0	0	108.5	G92 S93 L94 T173	G92-T133 PolarHBondContact O-N 2.9Å; S93-T133 CarbonylContact C-O 3.54Å; S93-T133 VanDerWaalsContact CA-O 3.26Å; S93-T133 WeakPolarHBondContact CA-O 3.42Å; L94-T133 PolarHBondContact N-O 3.07Å; T133-T173 CarbonylContact C-O 3.5Å; T133-T173 VanDerWaalsContact CA-O 3.27Å; T133-T173 WeakPolarHBondContact CA-O 3.12Å
134	L	55.9	Low	52.8	Low	0 Å²	0	35 Å²	35	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.9	170.6	-174.6	63.1	0	0	0	108.5	L94 M109 L137 I147 M149 T173 L174 S175	L94-L134 HydrophobicContact CB-CD1 3.62Å; L94-L134 HydrophobicContact CD2-CD1 3.6Å; L94-L134 HydrophobicContact CG-CD1 3.65Å; L94-L134 CarbonylContact O-C 3.59Å; L94-L134 WeakPolarHBondContact O-CA 2.93Å; M109-L134 HydrophobicContact CE-CB 3.58Å; M109-L134 HydrophobicContact CE-CD1 3.75Å; M109-L134 HydrophobicContact CE-CD2 4.42Å; M109-L134 HydrophobicContact CE-CG 4.13Å; L134-L137 HydrophobicContact CD1-CD1 4.19Å; L134-L137 HydrophobicContact CD1-CD2 4.12Å; L134-L137 HydrophobicContact CD1-CG 4.39Å; L134-L137 HydrophobicContact CD2-CD1 3.62Å; L134-L137 HydrophobicContact CD2-CG 4.45Å; L134-L137 HydrophobicContact CG-CD1 3.99Å; L134-L137 HydrophobicContact CG-CG 4.3Å; L134-I147 HydrophobicContact CD2-CB 4.5Å; L134-I147 HydrophobicContact CD2-CD1 3.9Å; L134-I147 HydrophobicContact CD2-CG1 4.15Å; L134-I147 HydrophobicContact CD2-CG2 3.53Å; L134-M149 HydrophobicContact CB-CE 4.08Å; L134-M149 HydrophobicContact CB-SD 3.49Å; L134-M149 WeakPolarHBondContact CB-SD 2.79Å; L134-M149 HydrophobicContact CD2-SD 4.15Å; L134-M149 HydrophobicContact CG-SD 4.45Å; L134-T173 PolarHBondContact N-O 2.98Å; L134-L174 HydrophobicContact CB-CD1 4.37Å; L134-L174 HydrophobicContact CB-CG 4.32Å; L134-L174 HydrophobicContact CD2-CD1 3.72Å; L134-L174 HydrophobicContact CD2-CG 4.34Å; L134-L174 CarbonylContact O-C 3.44Å; L134-L174 WeakPolarHBondContact O-CA 3.25Å; L134-S175 PolarHBondContact O-N 2.78Å
135	S	64.6	Low	54	Low	38 Å²	38	34.5 Å²	34.5	27%	0.266	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	148.4	175.6	61.1	0	0	0	0	117.2	L94 S95 G96 S175	L94-S135 PolarHBondContact O-N 3.2Å; S95-S135 CarbonylContact C-O 3.59Å; S95-S135 WeakPolarHBondContact CA-O 3.12Å; S95-S135 WeakPolarHBondContact CB-O 3.15Å; G96-S135 PolarHBondContact N-O 2.85Å; S135-S175 CarbonylContact C-O 3.57Å; S135-S175 WeakPolarHBondContact CA-O 3.36Å; S135-S175 WeakPolarHBondContact CB-O 3.29Å
136	G	51.5	Low	55.1	Low	36 Å²	36	35.4 Å²	35.4	37%	0.371	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.2	60	177	0	0	0	0	0	111.2	G96 L97 S175 G176	G96-G136 CarbonylContact C-O 3.58Å; G96-G136 WeakPolarHBondContact CA-O 3.22Å; G96-G136 PolarHBondContact N-O 3.17Å; G96-G136 VanDerWaalsContact N-O 3.09Å; L97-G136 PolarHBondContact N-O 2.91Å; G136-S175 PolarHBondContact N-O 3.46Å; G136-S175 VanDerWaalsContact N-O 3.15Å; G136-G176 CarbonylContact C-O 3.6Å; G136-G176 WeakPolarHBondContact CA-O 3.28Å; G136-G176 PolarHBondContact N-O 2.93Å
137	L	62.9	Low	56.1	Low	11 Å²	11	34.7 Å²	34.7	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.4	165.1	-51.2	-176.2	0	0	0	107.8	L97 I107 L134 I147 G176 L177 S178	L97-L137 HydrophobicContact CB-CD2 3.39Å; L97-L137 HydrophobicContact CD1-CD2 3.38Å; L97-L137 HydrophobicContact CG-CD2 3.38Å; L97-L137 VanDerWaalsContact O-CA 3.3Å; L97-L137 WeakPolarHBondContact O-CA 3.17Å; I107-L137 HydrophobicContact CD1-CD1 3.68Å; I107-L137 HydrophobicContact CD1-CD2 4.24Å; L134-L137 HydrophobicContact CD1-CD1 4.19Å; L134-L137 HydrophobicContact CD1-CD2 4.12Å; L134-L137 HydrophobicContact CD1-CG 4.39Å; L134-L137 HydrophobicContact CD2-CD1 3.62Å; L134-L137 HydrophobicContact CD2-CG 4.45Å; L134-L137 HydrophobicContact CG-CD1 3.99Å; L134-L137 HydrophobicContact CG-CG 4.3Å; L137-I147 HydrophobicContact CD1-CD1 3.54Å; L137-I147 HydrophobicContact CD1-CG1 4.27Å; L137-G176 PolarHBondContact N-O 2.73Å; L137-L177 HydrophobicContact CB-CD2 3.48Å; L137-L177 VanDerWaalsContact CB-CD2 3.48Å; L137-L177 HydrophobicContact CD1-CD2 3.4Å; L137-L177 HydrophobicContact CG-CD2 3.38Å; L137-L177 CarbonylContact O-C 3.53Å; L137-L177 VanDerWaalsContact O-CA 3.26Å; L137-L177 WeakPolarHBondContact O-CA 3.28Å; L137-S178 PolarHBondContact O-N 3.07Å
138	S	57.8	Low	57	Low	52 Å²	52	34.8 Å²	34.8	36%	0.364	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	173.9	59.9	0	0	0	0	110.1	L97 S98 G99 S178	L97-S138 PolarHBondContact O-N 2.97Å; S98-S138 WeakPolarHBondContact CA-O 3.46Å; G99-S138 PolarHBondContact N-O 3.12Å; G99-S138 VanDerWaalsContact N-O 3.07Å; S138-S178 VanDerWaalsContact CA-O 3.3Å; S138-S178 WeakPolarHBondContact CA-O 3.25Å; S138-S178 WeakPolarHBondContact CB-OG 2.94Å
139	G	57.9	Low	57.6	Low	5 Å²	5	33.5 Å²	33.5	5%	0.052	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.2	169.7	0	0	0	0	0	110.5	S178 G179 E180 Q183	G139-S178 PolarHBondContact N-O 2.8Å; G139-G179 WeakPolarHBondContact O-CA 3.49Å; G139-E180 PolarHBondContact O-N 3.08Å; G139-E180 VanDerWaalsContact O-N 3.16Å; G139-Q183 PolarHBondContact O-NE2 3.22Å
140	E	57.5	Low	57.9	Low	77 Å²	77	29.1 Å²	29.1	36%	0.36	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-83.5	176.9	-63	178.5	174.4	0	0	109.7	E180 N181 Q183	E140-E180 WeakPolarHBondContact O-CB 3.23Å; E140-N181 PolarHBondContact O-N 2.91Å; E140-Q183 PolarHBondContact O-NE2 3.44Å
141	N	60.1	Low	58	Low	56 Å²	56	28.8 Å²	28.8	30%	0.299	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.2	-171.4	-52.3	-60.7	0	0	0	116.1	N101 G102 Q143 N181	N101-N141 WeakPolarHBondContact CA-O 3.22Å; N101-N141 VanDerWaalsContact OD1-CB 3.29Å; N101-N141 WeakPolarHBondContact OD1-CB 3.34Å; N101-N141 PolarHBondContact OD1-ND2 2.83Å; G102-N141 PolarHBondContact N-O 2.95Å; N141-Q143 VanDerWaalsContact C-N 3.28Å; N141-Q143 PolarHBondContact O-N 2.9Å; N141-N181 WeakPolarHBondContact CA-O 3.46Å; N141-N181 WeakPolarHBondContact OD1-CB 3.44Å; N141-N181 PolarHBondContact OD1-ND2 2.79Å
142	G	50.8	Low	57.7	Low	44 Å²	44	27.4 Å²	27.4	45%	0.454	17%	0.172	S	C	.	.	S	Bend	trans	67.4	18.5	161	0	0	0	0	0	116.2	N181	G142-N181 PolarHBondContact N-O 3.04Å
143	Q	59.8	Low	57.2	Low	1 Å²	1	28.3 Å²	28.3	1%	0.005	18%	0.182	C	C	.	.			trans	-81.2	146.2	-178.3	-68.5	169.9	15.5	0	0	112.4	G99 E100 Q103 N141 I145 Q183 V184	G99-Q143 PolarHBondContact O-NE2 2.98Å; E100-Q143 VanDerWaalsContact C-NE2 3.32Å; E100-Q143 PolarHBondContact O-NE2 3.03Å; Q103-Q143 HydrophobicContact CB-CG 4.35Å; Q103-Q143 VanDerWaalsContact O-CA 3.29Å; Q103-Q143 WeakPolarHBondContact O-CA 3.46Å; Q103-Q143 WeakPolarHBondContact O-CB 3.41Å; N141-Q143 VanDerWaalsContact C-N 3.28Å; N141-Q143 PolarHBondContact O-N 2.9Å; Q143-I145 HydrophobicContact CB-CG1 4.21Å; Q143-Q183 HydrophobicContact CB-CG 4.31Å; Q143-Q183 VanDerWaalsContact O-CA 3.3Å; Q143-Q183 WeakPolarHBondContact O-CA 3.47Å; Q143-V184 PolarHBondContact O-N 2.95Å
144	V	57	Low	56.3	Low	39 Å²	39	26.4 Å²	26.4	24%	0.236	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.5	167.6	-172.5	0	0	0	0	108.8	Q103 V104 I105 Y146 V184 Y186	Q103-V144 PolarHBondContact O-N 2.97Å; V104-V144 WeakPolarHBondContact CA-O 3.33Å; V104-V144 HydrophobicContact CG1-CB 4.37Å; V104-V144 HydrophobicContact CG2-CB 4.49Å; I105-V144 PolarHBondContact N-O 2.88Å; V144-Y146 HydrophobicContact CB-CE2 4.29Å; V144-Y146 HydrophobicContact CG1-CD2 4.07Å; V144-Y146 HydrophobicContact CG1-CE2 3.3Å; V144-V184 CarbonylContact C-O 3.55Å; V144-V184 WeakPolarHBondContact CA-O 3.12Å; V144-V184 HydrophobicContact CG1-CB 4.37Å; V144-V184 HydrophobicContact CG2-CB 4.47Å; V144-Y186 HydrophobicContact CG1-CD2 4.33Å; V144-Y186 HydrophobicContact CG1-CE2 4.12Å
145	I	56.7	Low	55.5	Low	12 Å²	12	30.1 Å²	30.1	6%	0.062	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.2	-172.4	-55.5	177.4	0	0	0	109.5	I105 Q143 I147 V184 I185 Y186	I105-I145 HydrophobicContact CB-CG1 4.4Å; I105-I145 HydrophobicContact CB-CG2 4.44Å; I105-I145 HydrophobicContact CD1-CG1 4.41Å; Q143-I145 HydrophobicContact CB-CG1 4.21Å; I145-I147 HydrophobicContact CG2-CD1 3.91Å; I145-I147 HydrophobicContact CG2-CG1 3.84Å; I145-V184 PolarHBondContact N-O 2.77Å; I145-I185 HydrophobicContact CB-CG1 4.41Å; I145-I185 HydrophobicContact CB-CG2 4.41Å; I145-I185 HydrophobicContact CD1-CG1 4.44Å; I145-I185 CarbonylContact O-C 3.55Å; I145-Y186 PolarHBondContact O-N 3.16Å
146	Y	57.5	Low	53.8	Low	79 Å²	79	28.8 Å²	28.8	31%	0.31	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.9	175.4	-64.2	-87	0	0	0	110.4	V104 I105 Y106 I107 V144 Y186	V104-Y146 HydrophobicContact CG1-CD2 4.17Å; V104-Y146 HydrophobicContact CG1-CE2 4.05Å; I105-Y146 PolarHBondContact O-N 2.95Å; Y106-Y146 AromaticContact CD1-CD2 3.67Å; Y106-Y146 HydrophobicContact CD1-CD2 3.67Å; Y106-Y146 AromaticContact CD1-CG 3.87Å; Y106-Y146 HydrophobicContact CD1-CG 3.87Å; Y106-Y146 HydrophobicContact CE1-CD1 4.48Å; Y106-Y146 AromaticContact CE1-CD2 3.2Å; Y106-Y146 HydrophobicContact CE1-CD2 3.2Å; Y106-Y146 AromaticContact CE1-CE2 3.7Å; Y106-Y146 HydrophobicContact CE1-CE2 3.7Å; Y106-Y146 AromaticContact CE1-CG 3.66Å; Y106-Y146 HydrophobicContact CE1-CG 3.66Å; Y106-Y146 HydrophobicContact CG-CD2 4.47Å; Y106-Y146 AromaticContact CZ-CD2 3.7Å; Y106-Y146 AromaticContact CZ-CE2 3.85Å; I107-Y146 PolarHBondContact N-O 3.09Å; V144-Y146 HydrophobicContact CB-CE2 4.29Å; V144-Y146 HydrophobicContact CG1-CD2 4.07Å; V144-Y146 HydrophobicContact CG1-CE2 3.3Å; Y146-Y186 AromaticContact CD1-CD2 3.61Å; Y146-Y186 HydrophobicContact CD1-CD2 3.61Å; Y146-Y186 HydrophobicContact CD1-CE2 4.46Å; Y146-Y186 AromaticContact CD1-CG 3.84Å; Y146-Y186 HydrophobicContact CD1-CG 3.84Å; Y146-Y186 AromaticContact CE1-CD2 3.22Å; Y146-Y186 HydrophobicContact CE1-CD2 3.22Å; Y146-Y186 AromaticContact CE1-CE2 3.64Å; Y146-Y186 HydrophobicContact CE1-CE2 3.64Å; Y146-Y186 AromaticContact CE1-CG 3.73Å; Y146-Y186 HydrophobicContact CE1-CG 3.73Å; Y146-Y186 HydrophobicContact CG-CD2 4.41Å; Y146-Y186 AromaticContact CZ-CD2 3.77Å; Y146-Y186 AromaticContact CZ-CE2 3.87Å
147	I	57.1	Low	52.7	Low	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.1	178.6	-62.1	163.1	0	0	0	109.5	I107 L134 L137 I145 M149 L174 L177 Y186 I187 T188	I107-I147 HydrophobicContact CB-CG1 4.36Å; I107-I147 HydrophobicContact CD1-CG1 4.26Å; L134-I147 HydrophobicContact CD2-CB 4.5Å; L134-I147 HydrophobicContact CD2-CD1 3.9Å; L134-I147 HydrophobicContact CD2-CG1 4.15Å; L134-I147 HydrophobicContact CD2-CG2 3.53Å; L137-I147 HydrophobicContact CD1-CD1 3.54Å; L137-I147 HydrophobicContact CD1-CG1 4.27Å; I145-I147 HydrophobicContact CG2-CD1 3.91Å; I145-I147 HydrophobicContact CG2-CG1 3.84Å; I147-M149 HydrophobicContact CG2-CG 3.77Å; I147-L174 HydrophobicContact CD1-CD1 4.29Å; I147-L174 HydrophobicContact CG2-CD1 3.87Å; I147-L177 HydrophobicContact CD1-CD1 3.7Å; I147-L177 HydrophobicContact CD1-CD2 4.33Å; I147-Y186 PolarHBondContact N-O 2.77Å; I147-I187 HydrophobicContact CD1-CG1 4.37Å; I147-T188 PolarHBondContact O-N 3.25Å
148	T	60	Low	50.9	Low	44 Å²	44	37.9 Å²	37.9	27%	0.27	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	105.1	174.5	-63.5	0	0	0	0	110.4	I107 T108 M109 S111 S151 T188	I107-T148 PolarHBondContact O-N 3.42Å; T108-T148 WeakPolarHBondContact CA-O 2.95Å; M109-T148 PolarHBondContact N-O 3.38Å; S111-T148 PolarHBondContact OG-O 3.22Å; T148-S151 VanDerWaalsContact CG2-CB 3.47Å; T148-T188 WeakPolarHBondContact CA-O 3.46Å
149	M	59.7	Low	49.7	Very low	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.4	-178	-65.8	-151.7	-59.7	0	0	113.4	M109 L134 I147 S151 L174 T188 M189 N190	M109-M149 HydrophobicContact CB-CG 4.29Å; M109-M149 HydrophobicContact CE-CG 4.01Å; M109-M149 HydrophobicContact CE-SD 3.22Å; M109-M149 WeakPolarHBondContact CE-SD 3.24Å; M109-M149 WeakPolarHBondContact O-CA 3.29Å; L134-M149 HydrophobicContact CB-CE 4.08Å; L134-M149 HydrophobicContact CB-SD 3.49Å; L134-M149 WeakPolarHBondContact CB-SD 2.79Å; L134-M149 HydrophobicContact CD2-SD 4.15Å; L134-M149 HydrophobicContact CG-SD 4.45Å; I147-M149 HydrophobicContact CG2-CG 3.77Å; M149-S151 PolarHBondContact O-N 2.83Å; M149-S151 PolarHBondContact O-OG 2.97Å; M149-L174 HydrophobicContact CE-CB 3.59Å; M149-L174 HydrophobicContact CE-CD1 3.71Å; M149-L174 HydrophobicContact CE-CG 4.16Å; M149-T188 PolarHBondContact N-O 3.19Å; M149-M189 HydrophobicContact CB-CG 4.29Å; M149-M189 HydrophobicContact CE-CG 3.85Å; M149-M189 HydrophobicContact CE-SD 3.15Å; M149-M189 WeakPolarHBondContact CE-SD 3.46Å; M149-M189 WeakPolarHBondContact O-CA 3.37Å; M149-N190 PolarHBondContact O-N 2.58Å
150	N	59.3	Low	48.3	Very low	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	52.4	28.9	176.8	-62.2	-36.6	0	0	0	112.7	M109 N110 R130 R170 N171 G172 N190	M109-N150 PolarHBondContact O-N 3.46Å; N110-N150 WeakPolarHBondContact CB-OD1 3.05Å; N110-N150 PolarHBondContact ND2-OD1 3.14Å; R130-N150 HydrophobicContact CB-CB 4.45Å; R130-N150 WeakPolarHBondContact CB-OD1 3.33Å; N150-R170 HydrophobicContact CB-CB 4.4Å; N150-R170 WeakPolarHBondContact O-CD 3.46Å; N150-R170 PolarHBondContact O-NH1 3.46Å; N150-N171 PolarHBondContact ND2-O 3.24Å; N150-G172 WeakPolarHBondContact ND2-CA 3.31Å; N150-N190 WeakPolarHBondContact CB-OD1 3.07Å; N150-N190 PolarHBondContact ND2-OD1 3.42Å; N150-N190 VanDerWaalsContact ND2-OD1 3.16Å
151	S	56.1	Low	47.2	Very low	11 Å²	11	46.3 Å²	46.3	8%	0.077	24%	0.236	C	C	.	.			trans	-94.3	156.4	-175.4	-67.7	0	0	0	0	110.9	S111 S112 R130 T148 M149 T188 S191	S111-S151 WeakPolarHBondContact CA-O 3.43Å; S111-S151 WeakPolarHBondContact CB-O 3.17Å; S111-S151 PolarHBondContact OG-N 2.49Å; S112-S151 PolarHBondContact N-O 3.06Å; R130-S151 PolarHBondContact NH1-O 3.18Å; T148-S151 VanDerWaalsContact CG2-CB 3.47Å; M149-S151 PolarHBondContact O-N 2.83Å; M149-S151 PolarHBondContact O-OG 2.97Å; S151-T188 PolarHBondContact OG-O 2.82Å; S151-S191 VanDerWaalsContact CA-O 3.23Å; S151-S191 WeakPolarHBondContact CA-O 3.15Å; S151-S191 WeakPolarHBondContact CB-O 3.24Å; S151-S191 PolarHBondContact OG-N 3.03Å
152	S	51.1	Low	45.8	Very low	7 Å²	7	49.7 Å²	49.7	5%	0.049	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-153.1	129.4	178.7	64	0	0	0	0	111.4	S112 L166 R170 S191 S192 G193	S112-S152 VanDerWaalsContact O-CA 3.22Å; S112-S152 WeakPolarHBondContact O-CA 3.19Å; S112-S152 WeakPolarHBondContact O-CB 3.38Å; S152-L166 WeakPolarHBondContact OG-CD1 3.31Å; S152-R170 VanDerWaalsContact OG-CZ 3.26Å; S152-R170 PolarHBondContact OG-NH1 3Å; S152-R170 PolarHBondContact OG-NH2 3.16Å; S152-S191 PolarHBondContact N-O 3.01Å; S152-S192 WeakPolarHBondContact O-CA 3.22Å; S152-S192 WeakPolarHBondContact O-CB 3.27Å; S152-G193 PolarHBondContact O-N 3.11Å
153	G	49.7	Very low	45.1	Very low	21 Å²	21	49.2 Å²	49.2	22%	0.216	24%	0.237	C	C	.	.			trans	-172.5	136.3	173.9	0	0	0	0	0	108.3	G193	G153-G193 WeakPolarHBondContact CA-O 3.48Å
154	P	40.2	Very low	43.9	Very low	21 Å²	21	49.4 Å²	49.4	14%	0.136	24%	0.238	C	C	.	.			trans	-70.4	137.4	166.5	29.6	-31	0	0	0	109.3	P114 P194 N195	P114-P154 HydrophobicContact CG-CB 4.22Å; P154-P194 HydrophobicContact CG-CB 4.05Å; P154-P194 WeakPolarHBondContact O-CA 3.15Å; P154-N195 PolarHBondContact O-N 3.03Å
155	N	37.5	Very low	42.8	Very low	77 Å²	77	55.3 Å²	55.3	41%	0.412	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.4	156.6	-72.3	-22.9	0	0	0	105.3
156	S	29.7	Very low	42	Very low	11 Å²	11	55.1 Å²	55.1	8%	0.077	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	132.8	-178.3	-51.7	0	0	0	0	111.4	N195	S156-N195 PolarHBondContact N-O 3.38Å
157	Y	27.4	Very low	41.2	Very low	119 Å²	119	53.5 Å²	53.5	47%	0.467	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.8	165.8	-54.9	-86.9	0	0	0	106.5	Y197	Y157-Y197 AromaticContact CD1-CD2 3.86Å; Y157-Y197 HydrophobicContact CD1-CD2 3.86Å; Y157-Y197 AromaticContact CE1-CD2 3.45Å; Y157-Y197 HydrophobicContact CE1-CD2 3.45Å; Y157-Y197 VanDerWaalsContact CE1-CD2 3.45Å; Y157-Y197 AromaticContact CE1-CE2 3.85Å; Y157-Y197 HydrophobicContact CE1-CE2 3.85Å; Y157-Y197 HydrophobicContact CE1-CG 4.37Å
158	H	25.4	Very low	40.7	Very low	119 Å²	119	54.8 Å²	54.8	55%	0.551	27%	0.269	S	S	*	.	S	Bend	trans	100.5	175.9	170.3	-52.3	-75.8	0	0	0	120.2	R160 Y201	H158-R160 PolarHBondContact O-N 2.9Å; H158-Y201 PolarHBondContact O-OH 2.93Å
159	N	32.9	Very low	40.4	Very low	94 Å²	94	57.3 Å²	57.3	50%	0.503	27%	0.273	S	S	.	.	S	Bend		-95.8	-3.3	-111.9	-123.5	-19.6	0	0	0	115.6	N199	N159-N199 VanDerWaalsContact OD1-CB 3.23Å; N159-N199 WeakPolarHBondContact OD1-CB 3.48Å; N159-N199 PolarHBondContact OD1-ND2 3.05Å; N159-N199 VanDerWaalsContact OD1-ND2 3.1Å
160	R	29.7	Very low	40.3	Very low	195 Å²	195	58 Å²	58	74%	0.736	28%	0.276	S	S	*	.			trans	-173.1	101	-178.3	-108.5	178.3	-84.4	-174.6	-1.8	110.5	H158	H158-R160 PolarHBondContact O-N 2.9Å
161	Y	32.9	Very low	40.2	Very low	21 Å²	21	59.4 Å²	59.4	8%	0.082	28%	0.283	C	S	.	.			trans	-126	135.5	174.6	-78.7	-81.9	0	0	0	112.4	H118 L119 F121 Y201	H118-Y161 PolarHBondContact O-OH 2.99Å; L119-Y161 PolarHBondContact O-OH 2.83Å; F121-Y161 HydrophobicContact CB-CE1 4.46Å; F121-Y161 WeakPolarHBondContact O-CD1 3.43Å; Y161-Y201 HydrophobicContact CD2-CE1 4.18Å
162	F	30.8	Very low	40.3	Very low	127 Å²	127	58.9 Å²	58.9	56%	0.557	28%	0.28	S	S	*	.			trans	-87.9	114.3	163.9	-68.1	-80.7	0	0	0	108.2	P123 F202	P123-F162 WeakPolarHBondContact CD-O 3.48Å; F162-F202 AromaticContact CD1-CD2 3.92Å; F162-F202 HydrophobicContact CD1-CD2 3.92Å; F162-F202 AromaticContact CE1-CD2 3.73Å; F162-F202 HydrophobicContact CE1-CD2 3.73Å; F162-F202 AromaticContact CE1-CE2 3.89Å; F162-F202 HydrophobicContact CE1-CE2 3.89Å; F162-F202 HydrophobicContact CZ-CE2 4.48Å
163	P	36.2	Very low	40.7	Very low	35 Å²	35	61.2 Å²	61.2	23%	0.227	29%	0.294	C	S	.	.			trans	-78.1	150.3	-170.1	29.6	-37.1	0	0	0	113.4	R165 F202 P203 T204	P163-R165 PolarHBondContact O-N 3.1Å; P163-F202 WeakPolarHBondContact CD-O 3.26Å; P163-F202 WeakPolarHBondContact CG-O 3.49Å; P163-P203 WeakPolarHBondContact CG-O 3.32Å; P163-T204 WeakPolarHBondContact CB-OG1 3.19Å
164	T	34.4	Very low	41	Very low	5 Å²	5	60.2 Å²	60.2	3%	0.031	28%	0.284	C	S	.	.			trans	-52	130.8	174.4	-38.2	0	0	0	0	112.3	P123 P124 L126 L166 T204	P123-T164 WeakPolarHBondContact CB-OG1 3.3Å; P123-T164 WeakPolarHBondContact CG-OG1 3.35Å; P124-T164 WeakPolarHBondContact O-CG2 3.23Å; L126-T164 HydrophobicContact CG-CG2 3.97Å; T164-L166 HydrophobicContact CG2-CD2 3.81Å; T164-L166 PolarHBondContact O-N 2.99Å; T164-T204 WeakPolarHBondContact O-CG2 3.25Å
165	R	35.3	Very low	42.2	Very low	162 Å²	162	60.8 Å²	60.8	61%	0.611	29%	0.288	S	S	*	.			trans	-74.7	114	163.1	-70.1	-176.6	-176.6	-179.8	4.1	108	P125 L126 P163	P125-R165 WeakPolarHBondContact CA-O 3.21Å; P125-R165 HydrophobicContact CB-CB 4.32Å; L126-R165 PolarHBondContact N-O 2.91Å; P163-R165 PolarHBondContact O-N 3.1Å
166	L	38.3	Very low	42.8	Very low	9 Å²	9	58.8 Å²	58.8	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	105.1	173.4	-52.6	170.7	0	0	0	107.7	L126 S152 T164 T204 R205 L206 S207	L126-L166 HydrophobicContact CB-CD2 3.64Å; L126-L166 HydrophobicContact CD1-CD2 3.72Å; L126-L166 HydrophobicContact CG-CD2 3.92Å; S152-L166 WeakPolarHBondContact OG-CD1 3.31Å; T164-L166 HydrophobicContact CG2-CD2 3.81Å; T164-L166 PolarHBondContact O-N 2.99Å; L166-T204 HydrophobicContact CD1-CG2 4.02Å; L166-T204 HydrophobicContact CG-CG2 4.04Å; L166-R205 PolarHBondContact N-O 3.2Å; L166-L206 HydrophobicContact CB-CD2 3.64Å; L166-L206 HydrophobicContact CD1-CD2 3.43Å; L166-L206 VanDerWaalsContact CD1-CD2 3.43Å; L166-L206 HydrophobicContact CG-CD2 3.92Å; L166-S207 PolarHBondContact O-N 3.21Å; L166-S207 VanDerWaalsContact O-N 3.12Å
167	S	42.3	Very low	44.4	Very low	45 Å²	45	58.7 Å²	58.7	32%	0.315	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.8	176.4	63.1	0	0	0	0	110.3	L126 S127 G128 S207	L126-S167 PolarHBondContact O-N 2.82Å; S127-S167 VanDerWaalsContact CA-O 3.23Å; S127-S167 WeakPolarHBondContact CA-O 3.18Å; S127-S167 WeakPolarHBondContact CB-OG 3.44Å; G128-S167 PolarHBondContact N-O 3.37Å; S167-S207 VanDerWaalsContact CA-O 3.22Å; S167-S207 WeakPolarHBondContact CA-O 3.23Å
168	G	46.8	Very low	45.9	Very low	27 Å²	27	55.5 Å²	55.5	28%	0.278	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.7	178.8	174.3	0	0	0	0	0	117.5	G128 S207 G208 R209	G128-G168 VanDerWaalsContact O-CA 3.29Å; G128-G168 WeakPolarHBondContact O-CA 3.4Å; G168-S207 PolarHBondContact N-O 2.94Å; G168-G208 WeakPolarHBondContact O-CA 3.45Å; G168-R209 PolarHBondContact O-N 2.91Å; G168-R209 VanDerWaalsContact O-N 3.12Å
169	R	53.2	Low	47.5	Very low	97 Å²	97	50 Å²	50	37%	0.366	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.6	176	-173.7	176.2	178.9	-175.1	1.1	109.3	G128 R129 R130 N171 R209	G128-R169 PolarHBondContact O-N 2.81Å; R129-R169 VanDerWaalsContact CA-O 3.3Å; R129-R169 WeakPolarHBondContact CA-O 3.5Å; R129-R169 HydrophobicContact CG-CB 4.41Å; R130-R169 PolarHBondContact N-O 2.92Å; R169-N171 PolarHBondContact NE-ND2 2.92Å; R169-N171 PolarHBondContact NE-OD1 3.28Å; R169-R209 CarbonylContact C-O 3.56Å; R169-R209 VanDerWaalsContact CA-O 3.29Å; R169-R209 WeakPolarHBondContact CA-O 3.46Å; R169-R209 HydrophobicContact CG-CB 4.38Å
170	R	56.6	Low	48.7	Very low	16 Å²	16	49.1 Å²	49.1	6%	0.06	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.5	175.9	-55.9	179.4	-171.3	-166.6	4.2	108	R130 N150 S152 N190 S191 R209 R210 N211	R130-R170 WeakPolarHBondContact O-CA 3.47Å; N150-R170 HydrophobicContact CB-CB 4.4Å; N150-R170 WeakPolarHBondContact O-CD 3.46Å; N150-R170 PolarHBondContact O-NH1 3.46Å; S152-R170 VanDerWaalsContact OG-CZ 3.26Å; S152-R170 PolarHBondContact OG-NH1 3Å; S152-R170 PolarHBondContact OG-NH2 3.16Å; R170-N190 HydrophobicContact CB-CB 4.42Å; R170-N190 WeakPolarHBondContact CB-OD1 3.42Å; R170-S191 PolarHBondContact NH1-O 3.02Å; R170-R209 PolarHBondContact N-O 3.41Å; R170-R210 WeakPolarHBondContact O-CA 3.33Å; R170-N211 PolarHBondContact O-N 2.85Å
171	N	56.8	Low	50.2	Low	28 Å²	28	42.5 Å²	42.5	15%	0.15	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.6	170.8	-49.8	-55.8	0	0	0	107	R130 N131 G132 N150 R169 N211	R130-N171 PolarHBondContact O-N 2.71Å; N131-N171 VanDerWaalsContact CA-O 3.25Å; N131-N171 WeakPolarHBondContact CA-O 3.38Å; N131-N171 PolarHBondContact OD1-ND2 3.26Å; G132-N171 PolarHBondContact N-O 3.43Å; N150-N171 PolarHBondContact ND2-O 3.24Å; R169-N171 PolarHBondContact NE-ND2 2.92Å; R169-N171 PolarHBondContact NE-OD1 3.28Å; N171-N211 CarbonylContact C-O 3.59Å; N171-N211 VanDerWaalsContact CA-O 3.22Å; N171-N211 WeakPolarHBondContact CA-O 3.38Å; N171-N211 PolarHBondContact OD1-ND2 3.22Å
172	G	59.2	Low	51.2	Low	1 Å²	1	43.5 Å²	43.5	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.3	177.1	0	0	0	0	0	108.8	G132 N150 N211 G212 T213	G132-G172 CarbonylContact O-C 3.54Å; G132-G172 WeakPolarHBondContact O-CA 3.25Å; N150-G172 WeakPolarHBondContact ND2-CA 3.31Å; G172-N211 PolarHBondContact N-O 3.45Å; G172-G212 CarbonylContact O-C 3.58Å; G172-G212 WeakPolarHBondContact O-CA 3.2Å; G172-T213 PolarHBondContact O-N 3.04Å
173	T	59.1	Low	52.7	Low	55 Å²	55	37.5 Å²	37.5	34%	0.337	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	168.6	-54.7	0	0	0	0	107.5	G132 T133 L134 T213	G132-T173 PolarHBondContact O-N 3.44Å; T133-T173 CarbonylContact C-O 3.5Å; T133-T173 VanDerWaalsContact CA-O 3.27Å; T133-T173 WeakPolarHBondContact CA-O 3.12Å; L134-T173 PolarHBondContact N-O 2.98Å; T173-T213 CarbonylContact C-O 3.6Å; T173-T213 VanDerWaalsContact CA-O 3.27Å; T173-T213 WeakPolarHBondContact CA-O 3.37Å
174	L	57	Low	53.7	Low	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.3	171.8	-174.6	143.7	0	0	0	108.2	L134 I147 M149 L177 I187 M189 T213 L214 S215 L217	L134-L174 HydrophobicContact CB-CD1 4.37Å; L134-L174 HydrophobicContact CB-CG 4.32Å; L134-L174 HydrophobicContact CD2-CD1 3.72Å; L134-L174 HydrophobicContact CD2-CG 4.34Å; L134-L174 CarbonylContact O-C 3.44Å; L134-L174 WeakPolarHBondContact O-CA 3.25Å; I147-L174 HydrophobicContact CD1-CD1 4.29Å; I147-L174 HydrophobicContact CG2-CD1 3.87Å; M149-L174 HydrophobicContact CE-CB 3.59Å; M149-L174 HydrophobicContact CE-CD1 3.71Å; M149-L174 HydrophobicContact CE-CG 4.16Å; L174-L177 HydrophobicContact CD1-CD1 4.45Å; L174-L177 HydrophobicContact CD2-CD1 3.71Å; L174-L177 HydrophobicContact CD2-CD2 4.14Å; L174-L177 HydrophobicContact CD2-CG 3.74Å; L174-L177 HydrophobicContact CG-CD2 4.47Å; L174-I187 HydrophobicContact CD1-CG2 3.9Å; L174-I187 HydrophobicContact CD2-CD1 4.22Å; L174-M189 HydrophobicContact CB-CE 4.17Å; L174-M189 HydrophobicContact CB-SD 3.42Å; L174-M189 WeakPolarHBondContact CB-SD 2.84Å; L174-M189 HydrophobicContact CD1-SD 4.08Å; L174-M189 HydrophobicContact CG-SD 4.37Å; L174-T213 PolarHBondContact N-O 2.94Å; L174-L214 HydrophobicContact CB-CD1 4.37Å; L174-L214 HydrophobicContact CB-CG 4.18Å; L174-L214 HydrophobicContact CD2-CD1 3.76Å; L174-L214 HydrophobicContact CD2-CD2 4.22Å; L174-L214 HydrophobicContact CD2-CG 3.66Å; L174-L214 CarbonylContact O-C 3.58Å; L174-L214 VanDerWaalsContact O-CA 3.29Å; L174-L214 WeakPolarHBondContact O-CA 3.22Å; L174-S215 PolarHBondContact O-N 3.32Å; L174-L217 HydrophobicContact CD2-CD2 3.81Å
175	S	63.9	Low	54.9	Low	34 Å²	34	37.8 Å²	37.8	24%	0.238	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	149.2	179.1	59	0	0	0	0	117.2	L134 S135 G136 S215	L134-S175 PolarHBondContact O-N 2.78Å; S135-S175 CarbonylContact C-O 3.57Å; S135-S175 WeakPolarHBondContact CA-O 3.36Å; S135-S175 WeakPolarHBondContact CB-O 3.29Å; G136-S175 PolarHBondContact N-O 3.46Å; G136-S175 VanDerWaalsContact N-O 3.15Å; S175-S215 CarbonylContact C-O 3.51Å; S175-S215 WeakPolarHBondContact CA-O 3.27Å; S175-S215 WeakPolarHBondContact CB-O 3.33Å
176	G	51.3	Low	56	Low	34 Å²	34	33.8 Å²	33.8	35%	0.351	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69.1	57.1	178.2	0	0	0	0	0	111.2	G136 L137 S215 G216	G136-G176 CarbonylContact C-O 3.6Å; G136-G176 WeakPolarHBondContact CA-O 3.28Å; G136-G176 PolarHBondContact N-O 2.93Å; L137-G176 PolarHBondContact N-O 2.73Å; G176-S215 PolarHBondContact N-O 3.13Å; G176-S215 VanDerWaalsContact N-O 3.15Å; G176-G216 CarbonylContact C-O 3.54Å; G176-G216 WeakPolarHBondContact CA-O 3.17Å; G176-G216 PolarHBondContact N-O 3.05Å
177	L	63.7	Low	56.9	Low	9 Å²	9	33.4 Å²	33.4	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.1	159.9	-42.7	-175	0	0	0	107.1	L137 I147 L174 I185 I187 G216 L217 S218	L137-L177 HydrophobicContact CB-CD2 3.48Å; L137-L177 VanDerWaalsContact CB-CD2 3.48Å; L137-L177 HydrophobicContact CD1-CD2 3.4Å; L137-L177 HydrophobicContact CG-CD2 3.38Å; L137-L177 CarbonylContact O-C 3.53Å; L137-L177 VanDerWaalsContact O-CA 3.26Å; L137-L177 WeakPolarHBondContact O-CA 3.28Å; I147-L177 HydrophobicContact CD1-CD1 3.7Å; I147-L177 HydrophobicContact CD1-CD2 4.33Å; L174-L177 HydrophobicContact CD1-CD1 4.45Å; L174-L177 HydrophobicContact CD2-CD1 3.71Å; L174-L177 HydrophobicContact CD2-CD2 4.14Å; L174-L177 HydrophobicContact CD2-CG 3.74Å; L174-L177 HydrophobicContact CG-CD2 4.47Å; L177-I185 HydrophobicContact CD1-CG2 4.44Å; L177-I187 HydrophobicContact CD1-CD1 3.56Å; L177-I187 HydrophobicContact CD1-CG1 4.38Å; L177-G216 PolarHBondContact N-O 2.98Å; L177-L217 HydrophobicContact CB-CD2 3.49Å; L177-L217 VanDerWaalsContact CB-CD2 3.49Å; L177-L217 HydrophobicContact CD1-CD2 3.46Å; L177-L217 VanDerWaalsContact CD1-CD2 3.46Å; L177-L217 HydrophobicContact CG-CD2 3.3Å; L177-L217 CarbonylContact O-C 3.55Å; L177-L217 VanDerWaalsContact O-CA 3.28Å; L177-L217 WeakPolarHBondContact O-CA 3.29Å; L177-S218 PolarHBondContact O-N 3.05Å
178	S	58.3	Low	57.7	Low	52 Å²	52	33.4 Å²	33.4	36%	0.364	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.7	172.2	58.3	0	0	0	0	109.5	L137 S138 G139 S218	L137-S178 PolarHBondContact O-N 3.07Å; S138-S178 VanDerWaalsContact CA-O 3.3Å; S138-S178 WeakPolarHBondContact CA-O 3.25Å; S138-S178 WeakPolarHBondContact CB-OG 2.94Å; G139-S178 PolarHBondContact N-O 2.8Å; S178-S218 VanDerWaalsContact CA-O 3.28Å; S178-S218 WeakPolarHBondContact CA-O 3.11Å; S178-S218 WeakPolarHBondContact CB-OG 3.44Å
179	G	58.1	Low	58.4	Low	5 Å²	5	32.1 Å²	32.1	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.6	169.2	0	0	0	0	0	110.5	G139 Q183 S218 G219 E220 Q223	G139-G179 WeakPolarHBondContact O-CA 3.49Å; G179-Q183 VanDerWaalsContact CA-NE2 3.35Å; G179-S218 PolarHBondContact N-O 2.92Å; G179-G219 VanDerWaalsContact O-CA 3.32Å; G179-G219 WeakPolarHBondContact O-CA 3Å; G179-E220 PolarHBondContact O-N 2.81Å; G179-Q223 PolarHBondContact O-NE2 3.14Å
180	E	58.7	Low	58.7	Low	75 Å²	75	27.5 Å²	27.5	35%	0.35	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-82.6	172.5	-59.9	175.8	175.8	0	0	109.5	G139 E140 E220 N221 Q223	G139-E180 PolarHBondContact O-N 3.08Å; G139-E180 VanDerWaalsContact O-N 3.16Å; E140-E180 WeakPolarHBondContact O-CB 3.23Å; E180-E220 WeakPolarHBondContact O-CB 3.33Å; E180-E220 PolarHBondContact O-N 3.28Å; E180-N221 PolarHBondContact O-N 2.86Å; E180-Q223 PolarHBondContact O-NE2 2.76Å
181	N	62.1	Low	58.7	Low	55 Å²	55	27.2 Å²	27.2	29%	0.294	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.5	-167.2	-54.3	-59.9	0	0	0	115.1	E140 N141 G142 Q183 N221	E140-N181 PolarHBondContact O-N 2.91Å; N141-N181 WeakPolarHBondContact CA-O 3.46Å; N141-N181 WeakPolarHBondContact OD1-CB 3.44Å; N141-N181 PolarHBondContact OD1-ND2 2.79Å; G142-N181 PolarHBondContact N-O 3.04Å; N181-Q183 VanDerWaalsContact C-N 3.31Å; N181-Q183 PolarHBondContact O-N 3.02Å; N181-N221 WeakPolarHBondContact CA-O 3.48Å; N181-N221 WeakPolarHBondContact OD1-CB 3.08Å; N181-N221 PolarHBondContact OD1-ND2 2.77Å
182	G	52.7	Low	58.5	Low	43 Å²	43	26.3 Å²	26.3	44%	0.443	17%	0.165	S	C	.	.	S	Bend	trans	67	22.6	161.8	0	0	0	0	0	115.9	N221	G182-N221 PolarHBondContact N-O 2.79Å
183	Q	62.4	Low	58	Low	1 Å²	1	27.3 Å²	27.3	1%	0.005	18%	0.176	C	C	.	.			trans	-81.8	143.5	-178.1	-61.6	176.6	19.5	0	0	112.2	G139 E140 Q143 G179 N181 I185 Q223 V224	G139-Q183 PolarHBondContact O-NE2 3.22Å; E140-Q183 PolarHBondContact O-NE2 3.44Å; Q143-Q183 HydrophobicContact CB-CG 4.31Å; Q143-Q183 VanDerWaalsContact O-CA 3.3Å; Q143-Q183 WeakPolarHBondContact O-CA 3.47Å; G179-Q183 VanDerWaalsContact CA-NE2 3.35Å; N181-Q183 VanDerWaalsContact C-N 3.31Å; N181-Q183 PolarHBondContact O-N 3.02Å; Q183-I185 HydrophobicContact CB-CG1 4.27Å; Q183-Q223 HydrophobicContact CB-CG 4.23Å; Q183-Q223 VanDerWaalsContact O-CA 3.3Å; Q183-Q223 WeakPolarHBondContact O-CA 3.47Å; Q183-V224 PolarHBondContact O-N 3.24Å
184	V	58.4	Low	57.1	Low	38 Å²	38	26 Å²	26	23%	0.23	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.2	169.9	-172.5	0	0	0	0	109.2	Q143 V144 I145 Y186 V224 Y226	Q143-V184 PolarHBondContact O-N 2.95Å; V144-V184 CarbonylContact C-O 3.55Å; V144-V184 WeakPolarHBondContact CA-O 3.12Å; V144-V184 HydrophobicContact CG1-CB 4.37Å; V144-V184 HydrophobicContact CG2-CB 4.47Å; I145-V184 PolarHBondContact N-O 2.77Å; V184-Y186 HydrophobicContact CB-CE2 4.35Å; V184-Y186 HydrophobicContact CG1-CD2 4.1Å; V184-Y186 HydrophobicContact CG1-CE2 3.32Å; V184-V224 CarbonylContact C-O 3.53Å; V184-V224 WeakPolarHBondContact CA-O 3.27Å; V184-V224 HydrophobicContact CG1-CB 4.38Å; V184-V224 HydrophobicContact CG2-CB 4.47Å; V184-Y226 HydrophobicContact CG1-CD2 4.43Å; V184-Y226 HydrophobicContact CG1-CE2 4.2Å
185	I	59	Low	56.2	Low	7 Å²	7	29.3 Å²	29.3	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.7	-172.1	-54.4	174.3	0	0	0	109.8	I145 L177 Q183 I187 V224 I225 Y226	I145-I185 HydrophobicContact CB-CG1 4.41Å; I145-I185 HydrophobicContact CB-CG2 4.41Å; I145-I185 HydrophobicContact CD1-CG1 4.44Å; I145-I185 CarbonylContact O-C 3.55Å; L177-I185 HydrophobicContact CD1-CG2 4.44Å; Q183-I185 HydrophobicContact CB-CG1 4.27Å; I185-I187 HydrophobicContact CG2-CD1 4.03Å; I185-I187 HydrophobicContact CG2-CG1 3.73Å; I185-V224 PolarHBondContact N-O 2.78Å; I185-I225 HydrophobicContact CB-CG2 4.34Å; I185-I225 CarbonylContact O-C 3.51Å; I185-I225 WeakPolarHBondContact O-CA 3.49Å; I185-Y226 PolarHBondContact O-N 2.82Å
186	Y	57.6	Low	54.6	Low	79 Å²	79	28.2 Å²	28.2	31%	0.31	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.4	175.1	-63.4	-87.6	0	0	0	110.5	V144 I145 Y146 I147 V184 Y226	V144-Y186 HydrophobicContact CG1-CD2 4.33Å; V144-Y186 HydrophobicContact CG1-CE2 4.12Å; I145-Y186 PolarHBondContact O-N 3.16Å; Y146-Y186 AromaticContact CD1-CD2 3.61Å; Y146-Y186 HydrophobicContact CD1-CD2 3.61Å; Y146-Y186 HydrophobicContact CD1-CE2 4.46Å; Y146-Y186 AromaticContact CD1-CG 3.84Å; Y146-Y186 HydrophobicContact CD1-CG 3.84Å; Y146-Y186 AromaticContact CE1-CD2 3.22Å; Y146-Y186 HydrophobicContact CE1-CD2 3.22Å; Y146-Y186 AromaticContact CE1-CE2 3.64Å; Y146-Y186 HydrophobicContact CE1-CE2 3.64Å; Y146-Y186 AromaticContact CE1-CG 3.73Å; Y146-Y186 HydrophobicContact CE1-CG 3.73Å; Y146-Y186 HydrophobicContact CG-CD2 4.41Å; Y146-Y186 AromaticContact CZ-CD2 3.77Å; Y146-Y186 AromaticContact CZ-CE2 3.87Å; I147-Y186 PolarHBondContact N-O 2.77Å; V184-Y186 HydrophobicContact CB-CE2 4.35Å; V184-Y186 HydrophobicContact CG1-CD2 4.1Å; V184-Y186 HydrophobicContact CG1-CE2 3.32Å; Y186-Y226 AromaticContact CD1-CD2 3.59Å; Y186-Y226 HydrophobicContact CD1-CD2 3.59Å; Y186-Y226 HydrophobicContact CD1-CE2 4.43Å; Y186-Y226 AromaticContact CD1-CG 3.85Å; Y186-Y226 HydrophobicContact CD1-CG 3.85Å; Y186-Y226 AromaticContact CE1-CD2 3.21Å; Y186-Y226 HydrophobicContact CE1-CD2 3.21Å; Y186-Y226 AromaticContact CE1-CE2 3.63Å; Y186-Y226 HydrophobicContact CE1-CE2 3.63Å; Y186-Y226 AromaticContact CE1-CG 3.75Å; Y186-Y226 HydrophobicContact CE1-CG 3.75Å; Y186-Y226 HydrophobicContact CG-CD2 4.4Å; Y186-Y226 AromaticContact CZ-CD2 3.79Å; Y186-Y226 AromaticContact CZ-CE2 3.87Å
187	I	57.2	Low	53.5	Low	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.6	179.5	-52.9	178.2	0	0	0	110	I147 L174 L177 I185 M189 L214 L217 Y226 I227 T228	I147-I187 HydrophobicContact CD1-CG1 4.37Å; L174-I187 HydrophobicContact CD1-CG2 3.9Å; L174-I187 HydrophobicContact CD2-CD1 4.22Å; L177-I187 HydrophobicContact CD1-CD1 3.56Å; L177-I187 HydrophobicContact CD1-CG1 4.38Å; I185-I187 HydrophobicContact CG2-CD1 4.03Å; I185-I187 HydrophobicContact CG2-CG1 3.73Å; I187-M189 HydrophobicContact CG2-CG 3.74Å; I187-L214 HydrophobicContact CD1-CD1 4.04Å; I187-L214 HydrophobicContact CG2-CD1 3.86Å; I187-L217 HydrophobicContact CD1-CD1 3.78Å; I187-L217 HydrophobicContact CD1-CD2 4.24Å; I187-Y226 PolarHBondContact N-O 2.94Å; I187-I227 HydrophobicContact CD1-CG1 4.38Å; I187-T228 PolarHBondContact O-N 2.92Å
188	T	59.7	Low	51.6	Low	45 Å²	45	36.5 Å²	36.5	28%	0.276	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	103.5	173.9	-63.5	0	0	0	0	110.1	I147 T148 M149 S151 T228	I147-T188 PolarHBondContact O-N 3.25Å; T148-T188 WeakPolarHBondContact CA-O 3.46Å; M149-T188 PolarHBondContact N-O 3.19Å; S151-T188 PolarHBondContact OG-O 2.82Å; T188-T228 WeakPolarHBondContact CA-O 3.49Å
189	M	60.6	Low	50.2	Low	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134	-178.9	-65.3	-155	-56.8	0	0	113.4	M149 L174 I187 S191 L214 T228 M229 N230	M149-M189 HydrophobicContact CB-CG 4.29Å; M149-M189 HydrophobicContact CE-CG 3.85Å; M149-M189 HydrophobicContact CE-SD 3.15Å; M149-M189 WeakPolarHBondContact CE-SD 3.46Å; M149-M189 WeakPolarHBondContact O-CA 3.37Å; L174-M189 HydrophobicContact CB-CE 4.17Å; L174-M189 HydrophobicContact CB-SD 3.42Å; L174-M189 WeakPolarHBondContact CB-SD 2.84Å; L174-M189 HydrophobicContact CD1-SD 4.08Å; L174-M189 HydrophobicContact CG-SD 4.37Å; I187-M189 HydrophobicContact CG2-CG 3.74Å; M189-S191 PolarHBondContact O-N 2.99Å; M189-S191 PolarHBondContact O-OG 3.35Å; M189-L214 HydrophobicContact CE-CB 3.57Å; M189-L214 HydrophobicContact CE-CD1 3.67Å; M189-L214 HydrophobicContact CE-CG 4.05Å; M189-L214 HydrophobicContact SD-CD1 4.4Å; M189-T228 PolarHBondContact N-O 3.14Å; M189-M229 HydrophobicContact CB-CG 4.26Å; M189-M229 HydrophobicContact CE-CG 3.73Å; M189-M229 HydrophobicContact CE-SD 3.2Å; M189-M229 WeakPolarHBondContact CE-SD 3.28Å; M189-N230 PolarHBondContact O-N 2.8Å
190	N	60.7	Low	48.8	Very low	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	52.1	28.9	176.7	-61.9	-35.8	0	0	0	112.4	M149 N150 R170 R210 N211 G212 N230	M149-N190 PolarHBondContact O-N 2.58Å; N150-N190 WeakPolarHBondContact CB-OD1 3.07Å; N150-N190 PolarHBondContact ND2-OD1 3.42Å; N150-N190 VanDerWaalsContact ND2-OD1 3.16Å; R170-N190 HydrophobicContact CB-CB 4.42Å; R170-N190 WeakPolarHBondContact CB-OD1 3.42Å; N190-R210 HydrophobicContact CB-CB 4.39Å; N190-R210 VanDerWaalsContact O-CD 3.31Å; N190-R210 WeakPolarHBondContact O-CD 3.36Å; N190-R210 PolarHBondContact O-NH1 3.2Å; N190-N211 PolarHBondContact ND2-O 3.36Å; N190-G212 WeakPolarHBondContact ND2-CA 3.34Å; N190-N230 WeakPolarHBondContact CB-OD1 3.11Å; N190-N230 PolarHBondContact ND2-OD1 3.26Å
191	S	56.2	Low	47.6	Very low	10 Å²	10	43.6 Å²	43.6	7%	0.07	22%	0.223	C	C	.	.			trans	-97.2	156.9	-175.4	-68.3	0	0	0	0	110.6	S151 S152 R170 M189 T228 S231	S151-S191 VanDerWaalsContact CA-O 3.23Å; S151-S191 WeakPolarHBondContact CA-O 3.15Å; S151-S191 WeakPolarHBondContact CB-O 3.24Å; S151-S191 PolarHBondContact OG-N 3.03Å; S152-S191 PolarHBondContact N-O 3.01Å; R170-S191 PolarHBondContact NH1-O 3.02Å; M189-S191 PolarHBondContact O-N 2.99Å; M189-S191 PolarHBondContact O-OG 3.35Å; S191-T228 PolarHBondContact OG-O 3.15Å; S191-S231 VanDerWaalsContact CA-O 3.22Å; S191-S231 WeakPolarHBondContact CA-O 3.49Å; S191-S231 WeakPolarHBondContact CB-O 3.06Å; S191-S231 PolarHBondContact OG-N 3.3Å
192	S	51.8	Low	46.1	Very low	8 Å²	8	47.4 Å²	47.4	6%	0.056	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-154.4	129.4	-179.8	62.5	0	0	0	0	111.7	S152 L206 R210 S231 S232 G233	S152-S192 WeakPolarHBondContact O-CA 3.22Å; S152-S192 WeakPolarHBondContact O-CB 3.27Å; S192-L206 WeakPolarHBondContact OG-CD1 3.21Å; S192-R210 VanDerWaalsContact OG-CZ 3.32Å; S192-R210 PolarHBondContact OG-NH1 2.73Å; S192-R210 VanDerWaalsContact OG-NH1 3.13Å; S192-R210 PolarHBondContact OG-NH2 2.75Å; S192-S231 PolarHBondContact N-O 3.46Å; S192-S231 VanDerWaalsContact N-O 3.1Å; S192-S232 WeakPolarHBondContact O-CA 3.31Å; S192-S232 WeakPolarHBondContact O-CB 3.18Å; S192-G233 PolarHBondContact O-N 2.75Å
193	G	49.5	Very low	45.2	Very low	22 Å²	22	47.2 Å²	47.2	23%	0.227	23%	0.228	C	C	.	.			trans	-174.1	139.9	174.7	0	0	0	0	0	108.8	S152 G153 G233	S152-G193 PolarHBondContact O-N 3.11Å; G153-G193 WeakPolarHBondContact CA-O 3.48Å; G193-G233 WeakPolarHBondContact CA-O 3.36Å
194	P	40.7	Very low	43.9	Very low	27 Å²	27	47.7 Å²	47.7	18%	0.175	23%	0.231	C	C	.	.			trans	-71.6	140.6	167.1	29.8	-31.1	0	0	0	109.9	P154 P234 N235	P154-P194 HydrophobicContact CG-CB 4.05Å; P154-P194 WeakPolarHBondContact O-CA 3.15Å; P194-P234 HydrophobicContact CG-CB 3.97Å; P194-P234 WeakPolarHBondContact O-CA 3.39Å; P194-N235 PolarHBondContact O-N 3.13Å
195	N	37.7	Very low	42.8	Very low	71 Å²	71	52.9 Å²	52.9	38%	0.38	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.7	156.2	-69.9	-28.7	0	0	0	105.5	P154 S156 N235	P154-N195 PolarHBondContact O-N 3.03Å; S156-N195 PolarHBondContact N-O 3.38Å; N195-N235 WeakPolarHBondContact OD1-CB 3.35Å; N195-N235 PolarHBondContact OD1-ND2 3Å
196	S	29.8	Very low	41.8	Very low	10 Å²	10	53.2 Å²	53.2	7%	0.07	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.6	-177.3	53.6	0	0	0	0	111.7	N235	S196-N235 PolarHBondContact N-O 2.91Å
197	Y	28.1	Very low	41.1	Very low	116 Å²	116	51.9 Å²	51.9	46%	0.455	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.2	172.6	-57.3	-89.1	0	0	0	108	Y157	Y157-Y197 AromaticContact CD1-CD2 3.86Å; Y157-Y197 HydrophobicContact CD1-CD2 3.86Å; Y157-Y197 AromaticContact CE1-CD2 3.45Å; Y157-Y197 HydrophobicContact CE1-CD2 3.45Å; Y157-Y197 VanDerWaalsContact CE1-CD2 3.45Å; Y157-Y197 AromaticContact CE1-CE2 3.85Å; Y157-Y197 HydrophobicContact CE1-CE2 3.85Å; Y157-Y197 HydrophobicContact CE1-CG 4.37Å
198	H	25.4	Very low	40.7	Very low	102 Å²	102	53.2 Å²	53.2	47%	0.472	26%	0.264	S	S	.	.	S	Bend	trans	88.4	134.6	166.5	-55.1	-76.9	0	0	0	122.8	Y201	H198-Y201 WeakPolarHBondContact O-CE2 3.22Å; H198-Y201 PolarHBondContact O-OH 3.32Å
199	N	27.8	Very low	40.4	Very low	67 Å²	67	55.9 Å²	55.9	36%	0.358	27%	0.269	S	S	.	.	S	Bend	trans	55.5	108.4	156.5	-90.6	-23.5	0	0	0	120.7	N159	N159-N199 VanDerWaalsContact OD1-CB 3.23Å; N159-N199 WeakPolarHBondContact OD1-CB 3.48Å; N159-N199 PolarHBondContact OD1-ND2 3.05Å; N159-N199 VanDerWaalsContact OD1-ND2 3.1Å
200	R	29.2	Very low	40.2	Very low	186 Å²	186	56.7 Å²	56.7	70%	0.702	27%	0.272	S	S	*	.			trans	45.6	84.8	157.7	-81.2	-169.7	-94.2	-173.6	-6.7	115.2
201	Y	32.3	Very low	40	Very low	28 Å²	28	58 Å²	58	11%	0.11	28%	0.279	C	S	.	.			trans	-110.4	133.5	173.7	-61.8	-86.1	0	0	0	112.4	H158 Y161 H198 F241	H158-Y201 PolarHBondContact O-OH 2.93Å; Y161-Y201 HydrophobicContact CD2-CE1 4.18Å; H198-Y201 WeakPolarHBondContact O-CE2 3.22Å; H198-Y201 PolarHBondContact O-OH 3.32Å; Y201-F241 HydrophobicContact CD2-CD1 4.4Å; Y201-F241 AromaticContact CD2-CE1 3.3Å; Y201-F241 HydrophobicContact CD2-CE1 3.3Å; Y201-F241 AromaticContact CD2-CZ 3.62Å; Y201-F241 HydrophobicContact CD2-CZ 3.62Å; Y201-F241 HydrophobicContact CE2-CE1 4.25Å; Y201-F241 HydrophobicContact CE2-CZ 4.21Å; Y201-F241 AromaticContact CG-CE1 3.91Å; Y201-F241 HydrophobicContact CG-CE1 3.91Å
202	F	30.5	Very low	40.2	Very low	135 Å²	135	57.5 Å²	57.5	59%	0.592	28%	0.276	S	S	*	.			trans	-73.4	148.1	154.1	-64	-79.5	0	0	0	107.7	F162 P163	F162-F202 AromaticContact CD1-CD2 3.92Å; F162-F202 HydrophobicContact CD1-CD2 3.92Å; F162-F202 AromaticContact CE1-CD2 3.73Å; F162-F202 HydrophobicContact CE1-CD2 3.73Å; F162-F202 AromaticContact CE1-CE2 3.89Å; F162-F202 HydrophobicContact CE1-CE2 3.89Å; F162-F202 HydrophobicContact CZ-CE2 4.48Å; P163-F202 WeakPolarHBondContact CD-O 3.26Å; P163-F202 WeakPolarHBondContact CG-O 3.49Å
203	P	35	Very low	40.6	Very low	39 Å²	39	59.6 Å²	59.6	25%	0.253	29%	0.289	S	S	.	.			trans	-99.6	149.4	-170.4	41.9	-46.6	0	0	0	115.4	P163 R205 S242 P244	P163-P203 WeakPolarHBondContact CG-O 3.32Å; P203-R205 PolarHBondContact O-N 2.9Å; P203-R205 VanDerWaalsContact O-N 3.17Å; P203-S242 WeakPolarHBondContact CB-O 3.21Å; P203-S242 WeakPolarHBondContact CD-O 3.42Å; P203-S242 WeakPolarHBondContact CG-O 3.36Å; P203-P244 HydrophobicContact CB-CB 3.52Å; P203-P244 HydrophobicContact CB-CG 3.62Å; P203-P244 VanDerWaalsContact CG-CA 3.42Å; P203-P244 HydrophobicContact CG-CB 3.67Å; P203-P244 HydrophobicContact CG-CG 4.32Å
204	T	34.8	Very low	41.1	Very low	11 Å²	11	58.6 Å²	58.6	7%	0.067	28%	0.278	C	S	.	.			trans	-63.3	106.2	-178.8	-46.1	0	0	0	0	111.4	P163 T164 L166 L206 P244	P163-T204 WeakPolarHBondContact CB-OG1 3.19Å; T164-T204 WeakPolarHBondContact O-CG2 3.25Å; L166-T204 HydrophobicContact CD1-CG2 4.02Å; L166-T204 HydrophobicContact CG-CG2 4.04Å; T204-L206 HydrophobicContact CG2-CD2 3.7Å; T204-L206 HydrophobicContact CG2-CG 4.18Å; T204-L206 PolarHBondContact O-N 2.87Å; T204-P244 VanDerWaalsContact C-CB 3.43Å; T204-P244 WeakPolarHBondContact O-CB 2.77Å; T204-P244 WeakPolarHBondContact O-CG 3.27Å
205	R	34.5	Very low	42.2	Very low	146 Å²	146	58.9 Å²	58.9	55%	0.551	28%	0.281	S	S	*	.			trans	-65.2	106	170.9	-74.7	-172.1	-174.8	-174.5	3.1	109.3	L166 P203 P245	L166-R205 PolarHBondContact N-O 3.2Å; P203-R205 PolarHBondContact O-N 2.9Å; P203-R205 VanDerWaalsContact O-N 3.17Å; R205-P245 HydrophobicContact CG-CG 4.32Å
206	L	39.3	Very low	42.9	Very low	14 Å²	14	57 Å²	57	7%	0.073	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	108.2	174.7	-61.5	172.1	0	0	0	108.5	L166 S192 T204 L246 S247	L166-L206 HydrophobicContact CB-CD2 3.64Å; L166-L206 HydrophobicContact CD1-CD2 3.43Å; L166-L206 VanDerWaalsContact CD1-CD2 3.43Å; L166-L206 HydrophobicContact CG-CD2 3.92Å; S192-L206 WeakPolarHBondContact OG-CD1 3.21Å; T204-L206 HydrophobicContact CG2-CD2 3.7Å; T204-L206 HydrophobicContact CG2-CG 4.18Å; T204-L206 PolarHBondContact O-N 2.87Å; L206-L246 HydrophobicContact CB-CD2 3.66Å; L206-L246 HydrophobicContact CD1-CD2 3.47Å; L206-L246 VanDerWaalsContact CD1-CD2 3.47Å; L206-L246 HydrophobicContact CG-CD2 3.9Å; L206-S247 PolarHBondContact O-N 2.9Å
207	S	42.9	Very low	44.5	Very low	51 Å²	51	56.9 Å²	56.9	36%	0.357	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.6	174.8	65.1	0	0	0	0	111.6	L166 S167 G168 S247	L166-S207 PolarHBondContact O-N 3.21Å; L166-S207 VanDerWaalsContact O-N 3.12Å; S167-S207 VanDerWaalsContact CA-O 3.22Å; S167-S207 WeakPolarHBondContact CA-O 3.23Å; G168-S207 PolarHBondContact N-O 2.94Å; S207-S247 VanDerWaalsContact CA-O 3.22Å; S207-S247 WeakPolarHBondContact CA-O 3.1Å
208	G	47.8	Very low	46	Very low	29 Å²	29	53.7 Å²	53.7	30%	0.299	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	156	179.5	176.9	0	0	0	0	0	117.3	G168 S247 G248 R249	G168-G208 WeakPolarHBondContact O-CA 3.45Å; G208-S247 PolarHBondContact N-O 3.07Å; G208-G248 WeakPolarHBondContact O-CA 3.24Å; G208-R249 PolarHBondContact O-N 2.77Å; G208-R249 VanDerWaalsContact O-N 3.09Å
209	R	53.9	Low	47.5	Very low	102 Å²	102	49.1 Å²	49.1	39%	0.385	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.6	176.2	-174.3	175.4	-178.9	-176.2	1.6	109.4	G168 R169 R170 N211 R249	G168-R209 PolarHBondContact O-N 2.91Å; G168-R209 VanDerWaalsContact O-N 3.12Å; R169-R209 CarbonylContact C-O 3.56Å; R169-R209 VanDerWaalsContact CA-O 3.29Å; R169-R209 WeakPolarHBondContact CA-O 3.46Å; R169-R209 HydrophobicContact CG-CB 4.38Å; R170-R209 PolarHBondContact N-O 3.41Å; R209-N211 PolarHBondContact NE-ND2 3.16Å; R209-N211 PolarHBondContact NE-OD1 2.96Å; R209-R249 CarbonylContact C-O 3.59Å; R209-R249 VanDerWaalsContact CA-O 3.28Å; R209-R249 WeakPolarHBondContact CA-O 3.49Å; R209-R249 HydrophobicContact CG-CB 4.26Å
210	R	56.4	Low	49.1	Very low	17 Å²	17	49.4 Å²	49.4	6%	0.064	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.9	175.5	-56.4	179.8	-173.1	-167.2	4.5	108.1	R170 N190 S192 N230 S231 R249 R250 N251	R170-R210 WeakPolarHBondContact O-CA 3.33Å; N190-R210 HydrophobicContact CB-CB 4.39Å; N190-R210 VanDerWaalsContact O-CD 3.31Å; N190-R210 WeakPolarHBondContact O-CD 3.36Å; N190-R210 PolarHBondContact O-NH1 3.2Å; S192-R210 VanDerWaalsContact OG-CZ 3.32Å; S192-R210 PolarHBondContact OG-NH1 2.73Å; S192-R210 VanDerWaalsContact OG-NH1 3.13Å; S192-R210 PolarHBondContact OG-NH2 2.75Å; R210-N230 HydrophobicContact CB-CB 4.41Å; R210-N230 WeakPolarHBondContact CB-OD1 3.37Å; R210-S231 PolarHBondContact NH1-O 2.68Å; R210-S231 VanDerWaalsContact NH1-O 3.14Å; R210-R249 PolarHBondContact N-O 3.07Å; R210-R250 CarbonylContact O-C 3.59Å; R210-R250 WeakPolarHBondContact O-CA 3.39Å; R210-N251 PolarHBondContact O-N 2.96Å
211	N	57.4	Low	50.7	Low	26 Å²	26	43.2 Å²	43.2	14%	0.139	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.2	171.6	-52.2	-45.2	0	0	0	106.9	R170 N171 G172 N190 R209 N251	R170-N211 PolarHBondContact O-N 2.85Å; N171-N211 CarbonylContact C-O 3.59Å; N171-N211 VanDerWaalsContact CA-O 3.22Å; N171-N211 WeakPolarHBondContact CA-O 3.38Å; N171-N211 PolarHBondContact OD1-ND2 3.22Å; G172-N211 PolarHBondContact N-O 3.45Å; N190-N211 PolarHBondContact ND2-O 3.36Å; R209-N211 PolarHBondContact NE-ND2 3.16Å; R209-N211 PolarHBondContact NE-OD1 2.96Å; N211-N251 CarbonylContact C-O 3.55Å; N211-N251 WeakPolarHBondContact CA-O 2.91Å; N211-N251 WeakPolarHBondContact OD1-CB 3.43Å
212	G	59.7	Low	51.8	Low	1 Å²	1	43.9 Å²	43.9	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.5	177.4	0	0	0	0	0	109	G172 N190 N251 G252 S253	G172-G212 CarbonylContact O-C 3.58Å; G172-G212 WeakPolarHBondContact O-CA 3.2Å; N190-G212 WeakPolarHBondContact ND2-CA 3.34Å; G212-N251 PolarHBondContact N-O 2.87Å; G212-G252 CarbonylContact O-C 3.56Å; G212-G252 WeakPolarHBondContact O-CA 3.35Å; G212-S253 PolarHBondContact O-N 2.95Å
213	T	60.3	Low	53.4	Low	52 Å²	52	37.5 Å²	37.5	32%	0.319	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.2	167.9	-55.1	0	0	0	0	107.3	G172 T173 L174 S253	G172-T213 PolarHBondContact O-N 3.04Å; T173-T213 CarbonylContact C-O 3.6Å; T173-T213 VanDerWaalsContact CA-O 3.27Å; T173-T213 WeakPolarHBondContact CA-O 3.37Å; L174-T213 PolarHBondContact N-O 2.94Å; T213-S253 CarbonylContact C-O 3.57Å; T213-S253 VanDerWaalsContact CA-O 3.31Å; T213-S253 WeakPolarHBondContact CA-O 3.4Å; T213-S253 PolarHBondContact OG1-OG 2.86Å
214	L	58.8	Low	54.5	Low	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.8	170.2	-168.2	150.6	0	0	0	107.8	L174 I187 M189 L217 I227 M229 S253 L254 S255 L257	L174-L214 HydrophobicContact CB-CD1 4.37Å; L174-L214 HydrophobicContact CB-CG 4.18Å; L174-L214 HydrophobicContact CD2-CD1 3.76Å; L174-L214 HydrophobicContact CD2-CD2 4.22Å; L174-L214 HydrophobicContact CD2-CG 3.66Å; L174-L214 CarbonylContact O-C 3.58Å; L174-L214 VanDerWaalsContact O-CA 3.29Å; L174-L214 WeakPolarHBondContact O-CA 3.22Å; I187-L214 HydrophobicContact CD1-CD1 4.04Å; I187-L214 HydrophobicContact CG2-CD1 3.86Å; M189-L214 HydrophobicContact CE-CB 3.57Å; M189-L214 HydrophobicContact CE-CD1 3.67Å; M189-L214 HydrophobicContact CE-CG 4.05Å; M189-L214 HydrophobicContact SD-CD1 4.4Å; L214-L217 HydrophobicContact CD2-CD1 3.53Å; L214-L217 HydrophobicContact CD2-CD2 3.92Å; L214-L217 HydrophobicContact CD2-CG 3.53Å; L214-I227 HydrophobicContact CD1-CG2 3.92Å; L214-I227 HydrophobicContact CD2-CD1 4.43Å; L214-M229 HydrophobicContact CB-CE 4.06Å; L214-M229 HydrophobicContact CB-SD 3.54Å; L214-M229 VanDerWaalsContact CB-SD 3.54Å; L214-M229 HydrophobicContact CD1-SD 4.22Å; L214-S253 PolarHBondContact N-O 3.09Å; L214-L254 HydrophobicContact CB-CD1 3.54Å; L214-L254 HydrophobicContact CD1-CD1 4.34Å; L214-L254 HydrophobicContact CD2-CD1 3.2Å; L214-L254 HydrophobicContact CG-CD1 3.82Å; L214-L254 CarbonylContact O-C 3.55Å; L214-L254 WeakPolarHBondContact O-CA 3.2Å; L214-S255 PolarHBondContact O-N 3.35Å; L214-L257 HydrophobicContact CD2-CD2 3.99Å
215	S	64.5	Low	55.6	Low	34 Å²	34	37.2 Å²	37.2	24%	0.238	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	147.9	179.1	58.9	0	0	0	0	117.4	L174 S175 G176 S255	L174-S215 PolarHBondContact O-N 3.32Å; S175-S215 CarbonylContact C-O 3.51Å; S175-S215 WeakPolarHBondContact CA-O 3.27Å; S175-S215 WeakPolarHBondContact CB-O 3.33Å; G176-S215 PolarHBondContact N-O 3.13Å; G176-S215 VanDerWaalsContact N-O 3.15Å; S215-S255 CarbonylContact C-O 3.53Å; S215-S255 WeakPolarHBondContact CA-O 3.39Å; S215-S255 WeakPolarHBondContact CB-O 3.35Å
216	G	51.7	Low	56.7	Low	31 Å²	31	34 Å²	34	32%	0.32	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.5	57.2	178.6	0	0	0	0	0	111.1	G176 L177 S255 G256	G176-G216 CarbonylContact C-O 3.54Å; G176-G216 WeakPolarHBondContact CA-O 3.17Å; G176-G216 PolarHBondContact N-O 3.05Å; L177-G216 PolarHBondContact N-O 2.98Å; G216-S255 PolarHBondContact N-O 3.2Å; G216-S255 VanDerWaalsContact N-O 3.11Å; G216-G256 CarbonylContact C-O 3.55Å; G216-G256 WeakPolarHBondContact CA-O 3.33Å; G216-G256 PolarHBondContact N-O 2.96Å
217	L	63.9	Low	57.6	Low	7 Å²	7	33.3 Å²	33.3	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.4	158.9	-48.5	-176.1	0	0	0	106.5	L174 L177 I187 L214 I225 I227 G256 L257 S258	L174-L217 HydrophobicContact CD2-CD2 3.81Å; L177-L217 HydrophobicContact CB-CD2 3.49Å; L177-L217 VanDerWaalsContact CB-CD2 3.49Å; L177-L217 HydrophobicContact CD1-CD2 3.46Å; L177-L217 VanDerWaalsContact CD1-CD2 3.46Å; L177-L217 HydrophobicContact CG-CD2 3.3Å; L177-L217 CarbonylContact O-C 3.55Å; L177-L217 VanDerWaalsContact O-CA 3.28Å; L177-L217 WeakPolarHBondContact O-CA 3.29Å; I187-L217 HydrophobicContact CD1-CD1 3.78Å; I187-L217 HydrophobicContact CD1-CD2 4.24Å; L214-L217 HydrophobicContact CD2-CD1 3.53Å; L214-L217 HydrophobicContact CD2-CD2 3.92Å; L214-L217 HydrophobicContact CD2-CG 3.53Å; L217-I225 HydrophobicContact CD1-CG2 4.25Å; L217-I227 HydrophobicContact CD1-CD1 3.49Å; L217-I227 VanDerWaalsContact CD1-CD1 3.49Å; L217-I227 HydrophobicContact CD1-CG1 4.39Å; L217-G256 PolarHBondContact N-O 3.4Å; L217-L257 HydrophobicContact CB-CD2 3.49Å; L217-L257 VanDerWaalsContact CB-CD2 3.49Å; L217-L257 HydrophobicContact CD1-CD2 3.47Å; L217-L257 VanDerWaalsContact CD1-CD2 3.47Å; L217-L257 HydrophobicContact CG-CD2 3.36Å; L217-L257 CarbonylContact O-C 3.54Å; L217-L257 VanDerWaalsContact O-CA 3.29Å; L217-L257 WeakPolarHBondContact O-CA 3.15Å; L217-S258 PolarHBondContact O-N 3.25Å
218	S	59.4	Low	58.4	Low	50 Å²	50	33.1 Å²	33.1	35%	0.35	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.8	171.6	58.5	0	0	0	0	109.2	L177 S178 G179 S258	L177-S218 PolarHBondContact O-N 3.05Å; S178-S218 VanDerWaalsContact CA-O 3.28Å; S178-S218 WeakPolarHBondContact CA-O 3.11Å; S178-S218 WeakPolarHBondContact CB-OG 3.44Å; G179-S218 PolarHBondContact N-O 2.92Å; S218-S258 CarbonylContact C-O 3.5Å; S218-S258 VanDerWaalsContact CA-O 3.27Å; S218-S258 WeakPolarHBondContact CA-O 3.33Å; S218-S258 WeakPolarHBondContact CB-OG 3.3Å
219	G	57.9	Low	59	Low	5 Å²	5	31.7 Å²	31.7	5%	0.052	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.5	169.2	0	0	0	0	0	110.7	G179 Q223 S258 G259 E260 Q263	G179-G219 VanDerWaalsContact O-CA 3.32Å; G179-G219 WeakPolarHBondContact O-CA 3Å; G219-Q223 VanDerWaalsContact CA-NE2 3.26Å; G219-S258 PolarHBondContact N-O 3.01Å; G219-G259 VanDerWaalsContact O-CA 3.3Å; G219-G259 WeakPolarHBondContact O-CA 3.49Å; G219-E260 PolarHBondContact O-N 2.85Å; G219-Q263 VanDerWaalsContact CA-NE2 3.33Å; G219-Q263 PolarHBondContact O-NE2 3.28Å
220	E	61.2	Low	59.3	Low	73 Å²	73	26.9 Å²	26.9	34%	0.341	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-83.2	171	-61.5	178	177.9	0	0	109.7	G179 E180 E260 N261 Q263	G179-E220 PolarHBondContact O-N 2.81Å; E180-E220 WeakPolarHBondContact O-CB 3.33Å; E180-E220 PolarHBondContact O-N 3.28Å; E220-E260 PolarHBondContact O-N 3.43Å; E220-N261 PolarHBondContact O-N 2.92Å; E220-Q263 PolarHBondContact O-NE2 2.92Å
221	N	63.5	Low	59.3	Low	57 Å²	57	26.5 Å²	26.5	31%	0.305	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131	-167.4	-56.1	-54.7	0	0	0	114.6	E180 N181 G182 Q223 N261	E180-N221 PolarHBondContact O-N 2.86Å; N181-N221 WeakPolarHBondContact CA-O 3.48Å; N181-N221 WeakPolarHBondContact OD1-CB 3.08Å; N181-N221 PolarHBondContact OD1-ND2 2.77Å; G182-N221 PolarHBondContact N-O 2.79Å; N221-Q223 VanDerWaalsContact C-N 3.31Å; N221-Q223 PolarHBondContact O-N 3.47Å; N221-N261 WeakPolarHBondContact CA-O 3.38Å; N221-N261 VanDerWaalsContact OD1-CB 3.3Å; N221-N261 WeakPolarHBondContact OD1-CB 3.49Å; N221-N261 PolarHBondContact OD1-ND2 3.18Å
222	G	53.8	Low	59.1	Low	41 Å²	41	25.6 Å²	25.6	42%	0.423	16%	0.16	S	C	.	.	S	Bend	trans	67.6	22.1	161.5	0	0	0	0	0	116	N261	G222-N261 PolarHBondContact N-O 3.27Å
223	Q	63.8	Low	58.7	Low	1 Å²	1	26.7 Å²	26.7	1%	0.005	17%	0.171	C	C	.	.			trans	-80	143.5	-178.6	-62.1	178	17.9	0	0	112.4	G179 E180 Q183 G219 N221 I225 Q263 V264	G179-Q223 PolarHBondContact O-NE2 3.14Å; E180-Q223 PolarHBondContact O-NE2 2.76Å; Q183-Q223 HydrophobicContact CB-CG 4.23Å; Q183-Q223 VanDerWaalsContact O-CA 3.3Å; Q183-Q223 WeakPolarHBondContact O-CA 3.47Å; G219-Q223 VanDerWaalsContact CA-NE2 3.26Å; N221-Q223 VanDerWaalsContact C-N 3.31Å; N221-Q223 PolarHBondContact O-N 3.47Å; Q223-I225 HydrophobicContact CB-CG1 4.38Å; Q223-Q263 HydrophobicContact CB-CG 4.19Å; Q223-Q263 VanDerWaalsContact O-CA 3.3Å; Q223-Q263 WeakPolarHBondContact O-CA 3.27Å; Q223-V264 PolarHBondContact O-N 2.9Å
224	V	59.4	Low	57.9	Low	38 Å²	38	25.5 Å²	25.5	23%	0.23	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.9	171.4	-171.8	0	0	0	0	109.4	Q183 V184 I185 Y226 V264 Y266	Q183-V224 PolarHBondContact O-N 3.24Å; V184-V224 CarbonylContact C-O 3.53Å; V184-V224 WeakPolarHBondContact CA-O 3.27Å; V184-V224 HydrophobicContact CG1-CB 4.38Å; V184-V224 HydrophobicContact CG2-CB 4.47Å; I185-V224 PolarHBondContact N-O 2.78Å; V224-Y226 HydrophobicContact CB-CE2 4.35Å; V224-Y226 HydrophobicContact CG1-CD2 4.11Å; V224-Y226 HydrophobicContact CG1-CE2 3.33Å; V224-V264 CarbonylContact C-O 3.56Å; V224-V264 WeakPolarHBondContact CA-O 3.33Å; V224-V264 HydrophobicContact CG1-CB 4.44Å; V224-Y266 HydrophobicContact CG1-CD2 4.44Å; V224-Y266 HydrophobicContact CG1-CE2 4.22Å
225	I	58.5	Low	56.9	Low	6 Å²	6	28.9 Å²	28.9	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.6	-173.5	-49.9	179	0	0	0	110.2	I185 L217 Q223 I227 V264 I265 Y266	I185-I225 HydrophobicContact CB-CG2 4.34Å; I185-I225 CarbonylContact O-C 3.51Å; I185-I225 WeakPolarHBondContact O-CA 3.49Å; L217-I225 HydrophobicContact CD1-CG2 4.25Å; Q223-I225 HydrophobicContact CB-CG1 4.38Å; I225-I227 HydrophobicContact CG2-CD1 3.98Å; I225-I227 HydrophobicContact CG2-CG1 3.66Å; I225-V264 PolarHBondContact N-O 2.88Å; I225-I265 HydrophobicContact CB-CG1 4.38Å; I225-I265 HydrophobicContact CB-CG2 4.49Å; I225-I265 HydrophobicContact CD1-CG1 4.42Å; I225-I265 CarbonylContact O-C 3.57Å; I225-I265 WeakPolarHBondContact O-CA 3.2Å; I225-Y266 PolarHBondContact O-N 3.49Å
226	Y	57.6	Low	55.3	Low	78 Å²	78	27.4 Å²	27.4	31%	0.306	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	108.8	174.6	-62.9	-87.5	0	0	0	110.4	V184 I185 Y186 I187 V224 Y266	V184-Y226 HydrophobicContact CG1-CD2 4.43Å; V184-Y226 HydrophobicContact CG1-CE2 4.2Å; I185-Y226 PolarHBondContact O-N 2.82Å; Y186-Y226 AromaticContact CD1-CD2 3.59Å; Y186-Y226 HydrophobicContact CD1-CD2 3.59Å; Y186-Y226 HydrophobicContact CD1-CE2 4.43Å; Y186-Y226 AromaticContact CD1-CG 3.85Å; Y186-Y226 HydrophobicContact CD1-CG 3.85Å; Y186-Y226 AromaticContact CE1-CD2 3.21Å; Y186-Y226 HydrophobicContact CE1-CD2 3.21Å; Y186-Y226 AromaticContact CE1-CE2 3.63Å; Y186-Y226 HydrophobicContact CE1-CE2 3.63Å; Y186-Y226 AromaticContact CE1-CG 3.75Å; Y186-Y226 HydrophobicContact CE1-CG 3.75Å; Y186-Y226 HydrophobicContact CG-CD2 4.4Å; Y186-Y226 AromaticContact CZ-CD2 3.79Å; Y186-Y226 AromaticContact CZ-CE2 3.87Å; I187-Y226 PolarHBondContact N-O 2.94Å; V224-Y226 HydrophobicContact CB-CE2 4.35Å; V224-Y226 HydrophobicContact CG1-CD2 4.11Å; V224-Y226 HydrophobicContact CG1-CE2 3.33Å; Y226-Y266 AromaticContact CD1-CD2 3.6Å; Y226-Y266 HydrophobicContact CD1-CD2 3.6Å; Y226-Y266 HydrophobicContact CD1-CE2 4.45Å; Y226-Y266 AromaticContact CD1-CG 3.85Å; Y226-Y266 HydrophobicContact CD1-CG 3.85Å; Y226-Y266 AromaticContact CE1-CD2 3.21Å; Y226-Y266 HydrophobicContact CE1-CD2 3.21Å; Y226-Y266 AromaticContact CE1-CE2 3.63Å; Y226-Y266 HydrophobicContact CE1-CE2 3.63Å; Y226-Y266 AromaticContact CE1-CG 3.74Å; Y226-Y266 HydrophobicContact CE1-CG 3.74Å; Y226-Y266 HydrophobicContact CG-CD2 4.42Å; Y226-Y266 AromaticContact CZ-CD2 3.79Å; Y226-Y266 AromaticContact CZ-CE2 3.89Å
227	I	57.1	Low	54.1	Low	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113	-178.8	-52.2	-178.8	0	0	0	110.1	I187 L214 L217 I225 M229 L254 L257 Y266 I267 T268	I187-I227 HydrophobicContact CD1-CG1 4.38Å; L214-I227 HydrophobicContact CD1-CG2 3.92Å; L214-I227 HydrophobicContact CD2-CD1 4.43Å; L217-I227 HydrophobicContact CD1-CD1 3.49Å; L217-I227 VanDerWaalsContact CD1-CD1 3.49Å; L217-I227 HydrophobicContact CD1-CG1 4.39Å; I225-I227 HydrophobicContact CG2-CD1 3.98Å; I225-I227 HydrophobicContact CG2-CG1 3.66Å; I227-M229 HydrophobicContact CG2-CE 4.41Å; I227-M229 HydrophobicContact CG2-CG 3.79Å; I227-L254 HydrophobicContact CD1-CD1 4.36Å; I227-L257 HydrophobicContact CD1-CD1 4.01Å; I227-L257 HydrophobicContact CD1-CD2 4.37Å; I227-Y266 PolarHBondContact N-O 2.94Å; I227-I267 HydrophobicContact CB-CG1 4.23Å; I227-I267 HydrophobicContact CD1-CG1 4.14Å; I227-I267 HydrophobicContact CG1-CG1 4.48Å; I227-T268 PolarHBondContact O-N 3.15Å
228	T	59.7	Low	52.2	Low	46 Å²	46	33.8 Å²	33.8	28%	0.282	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	102.6	173.6	-63	0	0	0	0	110.4	I187 T188 M189 S191 T268	I187-T228 PolarHBondContact O-N 2.92Å; T188-T228 WeakPolarHBondContact CA-O 3.49Å; M189-T228 PolarHBondContact N-O 3.14Å; S191-T228 PolarHBondContact OG-O 3.15Å; T228-T268 WeakPolarHBondContact CA-O 3.37Å
229	M	60.3	Low	50.8	Low	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.2	-177.3	-74.3	-156.3	-70.6	0	0	113.5	M189 L214 I227 S231 L254 T268 M269 N270	M189-M229 HydrophobicContact CB-CG 4.26Å; M189-M229 HydrophobicContact CE-CG 3.73Å; M189-M229 HydrophobicContact CE-SD 3.2Å; M189-M229 WeakPolarHBondContact CE-SD 3.28Å; L214-M229 HydrophobicContact CB-CE 4.06Å; L214-M229 HydrophobicContact CB-SD 3.54Å; L214-M229 VanDerWaalsContact CB-SD 3.54Å; L214-M229 HydrophobicContact CD1-SD 4.22Å; I227-M229 HydrophobicContact CG2-CE 4.41Å; I227-M229 HydrophobicContact CG2-CG 3.79Å; M229-S231 PolarHBondContact O-N 2.9Å; M229-S231 VanDerWaalsContact O-N 3.08Å; M229-S231 PolarHBondContact O-OG 3.21Å; M229-L254 HydrophobicContact CE-CB 3.61Å; M229-L254 HydrophobicContact CE-CD1 3.73Å; M229-L254 HydrophobicContact CE-CD2 4.31Å; M229-L254 HydrophobicContact CE-CG 4.1Å; M229-T268 PolarHBondContact N-O 3.19Å; M229-M269 HydrophobicContact CB-CG 4.28Å; M229-M269 HydrophobicContact CE-CE 3.55Å; M229-M269 HydrophobicContact CE-CG 4.28Å; M229-M269 WeakPolarHBondContact O-CA 3.31Å; M229-N270 PolarHBondContact O-N 2.87Å
230	N	61	Low	49.6	Very low	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	52.9	31	175.8	-62	-35.8	0	0	0	112.4	M189 N190 R210 R250 N251 G252 N270	M189-N230 PolarHBondContact O-N 2.8Å; N190-N230 WeakPolarHBondContact CB-OD1 3.11Å; N190-N230 PolarHBondContact ND2-OD1 3.26Å; R210-N230 HydrophobicContact CB-CB 4.41Å; R210-N230 WeakPolarHBondContact CB-OD1 3.37Å; N230-R250 HydrophobicContact CB-CB 4.41Å; N230-R250 VanDerWaalsContact O-CD 3.27Å; N230-R250 WeakPolarHBondContact O-CD 3.32Å; N230-R250 PolarHBondContact O-NH1 2.78Å; N230-N251 PolarHBondContact ND2-O 3.39Å; N230-G252 WeakPolarHBondContact ND2-CA 3.46Å; N230-N270 WeakPolarHBondContact CB-OD1 3.3Å; N230-N270 PolarHBondContact ND2-OD1 2.76Å
231	S	56.6	Low	48.2	Very low	10 Å²	10	35.1 Å²	35.1	7%	0.07	20%	0.2	C	C	.	.			trans	-99	157.3	-174.4	-68.5	0	0	0	0	111.1	S191 S192 R210 M229 T268 S271	S191-S231 VanDerWaalsContact CA-O 3.22Å; S191-S231 WeakPolarHBondContact CA-O 3.49Å; S191-S231 WeakPolarHBondContact CB-O 3.06Å; S191-S231 PolarHBondContact OG-N 3.3Å; S192-S231 PolarHBondContact N-O 3.46Å; S192-S231 VanDerWaalsContact N-O 3.1Å; R210-S231 PolarHBondContact NH1-O 2.68Å; R210-S231 VanDerWaalsContact NH1-O 3.14Å; M229-S231 PolarHBondContact O-N 2.9Å; M229-S231 VanDerWaalsContact O-N 3.08Å; M229-S231 PolarHBondContact O-OG 3.21Å; S231-T268 PolarHBondContact OG-O 2.95Å; S231-S271 VanDerWaalsContact CA-O 3.24Å; S231-S271 WeakPolarHBondContact CA-O 3.24Å; S231-S271 PolarHBondContact OG-N 2.99Å
232	S	52.6	Low	46.6	Very low	6 Å²	6	35.3 Å²	35.3	4%	0.042	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-154.1	129.6	177	64.4	0	0	0	0	112.5	S192 L246 R250 S271 S272 G273	S192-S232 WeakPolarHBondContact O-CA 3.31Å; S192-S232 WeakPolarHBondContact O-CB 3.18Å; S232-L246 WeakPolarHBondContact OG-CD1 3.44Å; S232-R250 PolarHBondContact OG-NH1 3.01Å; S232-R250 PolarHBondContact OG-NH2 2.77Å; S232-S271 PolarHBondContact N-O 3.11Å; S232-S271 VanDerWaalsContact N-O 3.12Å; S232-S272 WeakPolarHBondContact O-CA 3.2Å; S232-S272 VanDerWaalsContact O-CB 3.27Å; S232-S272 WeakPolarHBondContact O-CB 3.2Å; S232-G273 PolarHBondContact O-N 2.88Å
233	G	50.3	Low	45.8	Very low	24 Å²	24	34.3 Å²	34.3	25%	0.247	19%	0.192	C	C	.	.			trans	-174.1	143.1	174.8	0	0	0	0	0	109.1	S192 G193 G273	S192-G233 PolarHBondContact O-N 2.75Å; G193-G233 WeakPolarHBondContact CA-O 3.36Å; G233-G273 WeakPolarHBondContact CA-O 3.39Å
234	P	43.5	Very low	44.3	Very low	27 Å²	27	34.9 Å²	34.9	18%	0.175	20%	0.196	C	C	.	.			trans	-72.3	141.2	167.6	30.5	-31	0	0	0	109.8	P194 P274 N275	P194-P234 HydrophobicContact CG-CB 3.97Å; P194-P234 WeakPolarHBondContact O-CA 3.39Å; P234-P274 HydrophobicContact CG-CB 3.94Å; P234-P274 VanDerWaalsContact O-CA 3.3Å; P234-P274 WeakPolarHBondContact O-CA 3.29Å; P234-N275 PolarHBondContact O-N 2.89Å
235	N	39.8	Very low	43.1	Very low	72 Å²	72	35.5 Å²	35.5	39%	0.385	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.7	157	-67.8	-34.3	0	0	0	105.4	P194 N195 S196 N275	P194-N235 PolarHBondContact O-N 3.13Å; N195-N235 WeakPolarHBondContact OD1-CB 3.35Å; N195-N235 PolarHBondContact OD1-ND2 3Å; S196-N235 PolarHBondContact N-O 2.91Å; N235-N275 WeakPolarHBondContact OD1-CB 3.34Å; N235-N275 PolarHBondContact OD1-ND2 3.34Å; N235-N275 VanDerWaalsContact OD1-ND2 3.09Å
236	S	29.4	Very low	42.1	Very low	3 Å²	3	35.8 Å²	35.8	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	129.1	-177.8	59.7	0	0	0	0	111.6	N275 S276	S236-N275 PolarHBondContact N-O 2.82Å; S236-S276 WeakPolarHBondContact O-CA 3.36Å; S236-S276 WeakPolarHBondContact O-CB 3.42Å
237	H	27.2	Very low	41.3	Very low	77 Å²	77	34.4 Å²	34.4	36%	0.356	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.7	168	-60.7	-90.9	0	0	0	108.4	Y277	H237-Y277 AromaticContact CE1-CD2 3.65Å; H237-Y277 AromaticContact ND1-CD2 3.95Å
238	H	24.7	Very low	40.9	Very low	95 Å²	95	35.7 Å²	35.7	44%	0.44	22%	0.217	S	C	.	.	S	Bend	trans	84.3	120	169.6	-54.9	-86.4	0	0	0	121.8	F241	H238-F241 WeakPolarHBondContact O-CE2 3.49Å
239	L	29.5	Very low	40.6	Very low	73 Å²	73	40.3 Å²	40.3	38%	0.382	23%	0.229	S	C	.	.	S	Bend	trans	59.1	150.3	146.3	-75.7	169.5	0	0	0	120.4	F241 N279	L239-F241 WeakPolarHBondContact O-CD2 2.88Å; L239-F241 WeakPolarHBondContact O-CE2 3.16Å; L239-N279 HydrophobicContact CD2-CB 3.97Å
240	P	32.2	Very low	40.4	Very low	64 Å²	64	41 Å²	41	42%	0.416	23%	0.232	S	C	.	.				-65.6	128.1	-116.8	34.8	-31.3	0	0	0	114	R280	P240-R280 VanDerWaalsContact CA-O 3.25Å; P240-R280 WeakPolarHBondContact CA-O 3.26Å; P240-R280 HydrophobicContact CB-CB 4.31Å; P240-R280 VanDerWaalsContact CB-O 3.28Å; P240-R280 WeakPolarHBondContact CB-O 3.32Å
241	F	32.6	Very low	40.3	Very low	19 Å²	19	43.1 Å²	43.1	8%	0.083	24%	0.244	C	C	.	.			trans	-115.4	139.6	179.3	-69.7	-95.4	0	0	0	111.6	Y201 H238 L239 P243 Y281 F282	Y201-F241 HydrophobicContact CD2-CD1 4.4Å; Y201-F241 AromaticContact CD2-CE1 3.3Å; Y201-F241 HydrophobicContact CD2-CE1 3.3Å; Y201-F241 AromaticContact CD2-CZ 3.62Å; Y201-F241 HydrophobicContact CD2-CZ 3.62Å; Y201-F241 HydrophobicContact CE2-CE1 4.25Å; Y201-F241 HydrophobicContact CE2-CZ 4.21Å; Y201-F241 AromaticContact CG-CE1 3.91Å; Y201-F241 HydrophobicContact CG-CE1 3.91Å; H238-F241 WeakPolarHBondContact O-CE2 3.49Å; L239-F241 WeakPolarHBondContact O-CD2 2.88Å; L239-F241 WeakPolarHBondContact O-CE2 3.16Å; F241-P243 WeakPolarHBondContact O-CD 2.88Å; F241-Y281 HydrophobicContact CB-CD1 4.15Å; F241-Y281 HydrophobicContact CB-CE1 4.36Å; F241-Y281 AromaticContact CD2-CE1 3.91Å; F241-Y281 HydrophobicContact CD2-CE1 3.91Å; F241-F282 PolarHBondContact O-N 3.13Å
242	S	30.1	Very low	40.5	Very low	60 Å²	60	42.9 Å²	42.9	42%	0.42	24%	0.242	S	C	.	.			trans	-98.5	103.9	150.9	-64.5	0	0	0	0	106.7	P203	P203-S242 WeakPolarHBondContact CB-O 3.21Å; P203-S242 WeakPolarHBondContact CD-O 3.42Å; P203-S242 WeakPolarHBondContact CG-O 3.36Å
243	P	35.5	Very low	40.9	Very low	20 Å²	20	44.2 Å²	44.2	13%	0.13	25%	0.251	C	S	.	.			trans	-61	152.5	167.9	19.5	-37.9	0	0	0	113.1	F241 F282 T284	F241-P243 WeakPolarHBondContact O-CD 2.88Å; P243-F282 WeakPolarHBondContact CD-O 3.36Å; P243-F282 WeakPolarHBondContact CG-O 3.36Å; P243-T284 HydrophobicContact CB-CG2 3.91Å; P243-T284 WeakPolarHBondContact CB-OG1 3.19Å; P243-T284 HydrophobicContact CG-CG2 4.39Å; P243-T284 WeakPolarHBondContact CG-OG1 3.29Å
244	P	32	Very low	41.3	Very low	13 Å²	13	43 Å²	43	8%	0.084	24%	0.24	C	C	.	.			trans	-78	147.9	-164.5	23.8	-18	0	0	0	111	P203 T204 L246 T284	P203-P244 HydrophobicContact CB-CB 3.52Å; P203-P244 HydrophobicContact CB-CG 3.62Å; P203-P244 VanDerWaalsContact CG-CA 3.42Å; P203-P244 HydrophobicContact CG-CB 3.67Å; P203-P244 HydrophobicContact CG-CG 4.32Å; T204-P244 VanDerWaalsContact C-CB 3.43Å; T204-P244 WeakPolarHBondContact O-CB 2.77Å; T204-P244 WeakPolarHBondContact O-CG 3.27Å; P244-L246 HydrophobicContact CG-CD2 4.2Å; P244-L246 PolarHBondContact O-N 3.19Å; P244-T284 WeakPolarHBondContact O-CG2 2.92Å
245	P	35.6	Very low	42.3	Very low	51 Å²	51	43.7 Å²	43.7	33%	0.331	25%	0.245	S	C	.	.			trans	-59.5	113.8	168.1	23.3	-29.8	0	0	0	109.4	R205 S247 R285	R205-P245 HydrophobicContact CG-CG 4.32Å; P245-S247 PolarHBondContact O-N 3.41Å; P245-R285 WeakPolarHBondContact CA-O 3.39Å; P245-R285 HydrophobicContact CB-CB 4.38Å
246	L	36.8	Very low	43	Very low	13 Å²	13	41.8 Å²	41.8	7%	0.068	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	108.4	175.6	-57.9	175.4	0	0	0	107.1	L206 S232 P244 T284 R285 L286 S287	L206-L246 HydrophobicContact CB-CD2 3.66Å; L206-L246 HydrophobicContact CD1-CD2 3.47Å; L206-L246 VanDerWaalsContact CD1-CD2 3.47Å; L206-L246 HydrophobicContact CG-CD2 3.9Å; S232-L246 WeakPolarHBondContact OG-CD1 3.44Å; P244-L246 HydrophobicContact CG-CD2 4.2Å; P244-L246 PolarHBondContact O-N 3.19Å; L246-T284 HydrophobicContact CD1-CG2 4.32Å; L246-T284 HydrophobicContact CG-CG2 4.16Å; L246-R285 PolarHBondContact N-O 2.78Å; L246-L286 HydrophobicContact CB-CD2 3.58Å; L246-L286 HydrophobicContact CD1-CD2 3.4Å; L246-L286 HydrophobicContact CG-CD2 3.71Å; L246-S287 PolarHBondContact O-N 3.47Å; L246-S287 VanDerWaalsContact O-O 3.14Å
247	S	41.6	Very low	44.6	Very low	49 Å²	49	42 Å²	42	34%	0.343	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.9	-177.7	64.4	0	0	0	0	111.7	L206 S207 G208 P245 S287	L206-S247 PolarHBondContact O-N 2.9Å; S207-S247 VanDerWaalsContact CA-O 3.22Å; S207-S247 WeakPolarHBondContact CA-O 3.1Å; G208-S247 PolarHBondContact N-O 3.07Å; P245-S247 PolarHBondContact O-N 3.41Å; S247-S287 WeakPolarHBondContact CA-O 3.3Å; S247-S287 WeakPolarHBondContact CB-OG 2.97Å
248	G	48	Very low	46.2	Very low	28 Å²	28	40.6 Å²	40.6	29%	0.289	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	172.7	179.9	0	0	0	0	0	116.6	G208 S287 G288 R289	G208-G248 WeakPolarHBondContact O-CA 3.24Å; G248-S287 PolarHBondContact N-O 3.06Å; G248-G288 VanDerWaalsContact O-CA 3.29Å; G248-G288 WeakPolarHBondContact O-CA 3.36Å; G248-R289 PolarHBondContact O-N 2.69Å
249	R	52.7	Low	47.8	Very low	142 Å²	142	36.4 Å²	36.4	54%	0.536	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.7	170.6	-66	-168.4	-178.4	-165.2	3.3	109	G208 R209 R210 R289	G208-R249 PolarHBondContact O-N 2.77Å; G208-R249 VanDerWaalsContact O-N 3.09Å; R209-R249 CarbonylContact C-O 3.59Å; R209-R249 VanDerWaalsContact CA-O 3.28Å; R209-R249 WeakPolarHBondContact CA-O 3.49Å; R209-R249 HydrophobicContact CG-CB 4.26Å; R210-R249 PolarHBondContact N-O 3.07Å; R249-R289 CarbonylContact C-O 3.58Å; R249-R289 VanDerWaalsContact CA-O 3.28Å; R249-R289 WeakPolarHBondContact CA-O 3.17Å; R249-R289 HydrophobicContact CG-CB 4.22Å
250	R	57.1	Low	49.3	Very low	16 Å²	16	36.5 Å²	36.5	6%	0.06	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.8	175.1	-58.5	-178.2	-176.6	-173	8.1	108.4	R210 N230 S232 N270 S271 R289 R290 N291	R210-R250 CarbonylContact O-C 3.59Å; R210-R250 WeakPolarHBondContact O-CA 3.39Å; N230-R250 HydrophobicContact CB-CB 4.41Å; N230-R250 VanDerWaalsContact O-CD 3.27Å; N230-R250 WeakPolarHBondContact O-CD 3.32Å; N230-R250 PolarHBondContact O-NH1 2.78Å; S232-R250 PolarHBondContact OG-NH1 3.01Å; S232-R250 PolarHBondContact OG-NH2 2.77Å; R250-N270 WeakPolarHBondContact CB-OD1 3.28Å; R250-S271 PolarHBondContact NH1-O 2.97Å; R250-R289 PolarHBondContact N-O 3.38Å; R250-R290 HydrophobicContact CB-CG 4.49Å; R250-R290 CarbonylContact O-C 3.57Å; R250-R290 WeakPolarHBondContact O-CA 3.26Å; R250-N291 PolarHBondContact O-N 2.77Å
251	N	58.4	Low	50.8	Low	44 Å²	44	36.1 Å²	36.1	24%	0.235	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.5	172.8	-65	-3.6	0	0	0	107.2	R210 N211 G212 N230 N291	R210-N251 PolarHBondContact O-N 2.96Å; N211-N251 CarbonylContact C-O 3.55Å; N211-N251 WeakPolarHBondContact CA-O 2.91Å; N211-N251 WeakPolarHBondContact OD1-CB 3.43Å; G212-N251 PolarHBondContact N-O 2.87Å; N230-N251 PolarHBondContact ND2-O 3.39Å; N251-N291 CarbonylContact C-O 3.6Å; N251-N291 WeakPolarHBondContact CA-O 3.18Å
252	G	60.2	Low	51.9	Low	4 Å²	4	37.1 Å²	37.1	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.9	175.6	0	0	0	0	0	109.1	G212 N230 N291 G292 S293	G212-G252 CarbonylContact O-C 3.56Å; G212-G252 WeakPolarHBondContact O-CA 3.35Å; N230-G252 WeakPolarHBondContact ND2-CA 3.46Å; G252-N291 PolarHBondContact N-O 2.95Å; G252-G292 CarbonylContact O-C 3.56Å; G252-G292 WeakPolarHBondContact O-CA 3.46Å; G252-S293 PolarHBondContact O-N 2.84Å
253	S	61.3	Low	53.5	Low	34 Å²	34	34.3 Å²	34.3	24%	0.238	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122	165.8	50	0	0	0	0	108.6	G212 T213 L214 S293	G212-S253 PolarHBondContact O-N 2.95Å; T213-S253 CarbonylContact C-O 3.57Å; T213-S253 VanDerWaalsContact CA-O 3.31Å; T213-S253 WeakPolarHBondContact CA-O 3.4Å; T213-S253 PolarHBondContact OG1-OG 2.86Å; L214-S253 PolarHBondContact N-O 3.09Å; S253-S293 CarbonylContact C-O 3.52Å; S253-S293 VanDerWaalsContact CA-O 3.25Å; S253-S293 WeakPolarHBondContact CA-O 3.43Å; S253-S293 WeakPolarHBondContact CB-OG 3.26Å
254	L	59.1	Low	54.7	Low	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.8	170.2	-175.6	62.8	0	0	0	107.9	L214 I227 M229 L257 I267 M269 S293 L294 S295	L214-L254 HydrophobicContact CB-CD1 3.54Å; L214-L254 HydrophobicContact CD1-CD1 4.34Å; L214-L254 HydrophobicContact CD2-CD1 3.2Å; L214-L254 HydrophobicContact CG-CD1 3.82Å; L214-L254 CarbonylContact O-C 3.55Å; L214-L254 WeakPolarHBondContact O-CA 3.2Å; I227-L254 HydrophobicContact CD1-CD1 4.36Å; M229-L254 HydrophobicContact CE-CB 3.61Å; M229-L254 HydrophobicContact CE-CD1 3.73Å; M229-L254 HydrophobicContact CE-CD2 4.31Å; M229-L254 HydrophobicContact CE-CG 4.1Å; L254-L257 HydrophobicContact CD1-CD1 4.28Å; L254-L257 HydrophobicContact CD1-CD2 4.08Å; L254-L257 HydrophobicContact CD1-CG 4.38Å; L254-L257 HydrophobicContact CD2-CD1 3.75Å; L254-L257 HydrophobicContact CD2-CG 4.48Å; L254-L257 HydrophobicContact CG-CD1 4.14Å; L254-L257 HydrophobicContact CG-CG 4.34Å; L254-I267 HydrophobicContact CD2-CB 4.42Å; L254-I267 HydrophobicContact CD2-CD1 3.66Å; L254-I267 HydrophobicContact CD2-CG1 3.82Å; L254-I267 HydrophobicContact CD2-CG2 3.69Å; L254-M269 HydrophobicContact CB-CE 3.41Å; L254-M269 VanDerWaalsContact CB-CE 3.41Å; L254-S293 PolarHBondContact N-O 2.78Å; L254-L294 HydrophobicContact CB-CB 4.46Å; L254-L294 HydrophobicContact CB-CD1 3.91Å; L254-L294 HydrophobicContact CB-CG 3.96Å; L254-L294 HydrophobicContact CD2-CD1 3.34Å; L254-L294 HydrophobicContact CD2-CG 3.97Å; L254-L294 HydrophobicContact CG-CD1 4.13Å; L254-L294 HydrophobicContact CG-CG 4.31Å; L254-L294 CarbonylContact O-C 3.54Å; L254-L294 VanDerWaalsContact O-CA 3.3Å; L254-L294 WeakPolarHBondContact O-CA 3.3Å; L254-S295 PolarHBondContact O-N 2.75Å
255	S	65	Low	56	Low	40 Å²	40	34.6 Å²	34.6	28%	0.28	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151	175.4	58.9	0	0	0	0	117.3	L214 S215 G216 S295	L214-S255 PolarHBondContact O-N 3.35Å; S215-S255 CarbonylContact C-O 3.53Å; S215-S255 WeakPolarHBondContact CA-O 3.39Å; S215-S255 WeakPolarHBondContact CB-O 3.35Å; G216-S255 PolarHBondContact N-O 3.2Å; G216-S255 VanDerWaalsContact N-O 3.11Å; S255-S295 CarbonylContact C-O 3.55Å; S255-S295 WeakPolarHBondContact CA-O 3Å; S255-S295 WeakPolarHBondContact CB-O 3.45Å
256	G	53.3	Low	57	Low	33 Å²	33	36.1 Å²	36.1	34%	0.34	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	55.1	178.7	0	0	0	0	0	111.1	G216 L217 S295 G296	G216-G256 CarbonylContact C-O 3.55Å; G216-G256 WeakPolarHBondContact CA-O 3.33Å; G216-G256 PolarHBondContact N-O 2.96Å; L217-G256 PolarHBondContact N-O 3.4Å; G256-S295 PolarHBondContact N-O 3.02Å; G256-G296 CarbonylContact C-O 3.39Å; G256-G296 WeakPolarHBondContact CA-O 3.42Å; G256-G296 PolarHBondContact N-O 2.76Å
257	L	64.4	Low	58	Low	6 Å²	6	35.5 Å²	35.5	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.4	160.6	-49.7	-176.1	0	0	0	106	L214 L217 I227 L254 I265 I267 G296 L297 S298	L214-L257 HydrophobicContact CD2-CD2 3.99Å; L217-L257 HydrophobicContact CB-CD2 3.49Å; L217-L257 VanDerWaalsContact CB-CD2 3.49Å; L217-L257 HydrophobicContact CD1-CD2 3.47Å; L217-L257 VanDerWaalsContact CD1-CD2 3.47Å; L217-L257 HydrophobicContact CG-CD2 3.36Å; L217-L257 CarbonylContact O-C 3.54Å; L217-L257 VanDerWaalsContact O-CA 3.29Å; L217-L257 WeakPolarHBondContact O-CA 3.15Å; I227-L257 HydrophobicContact CD1-CD1 4.01Å; I227-L257 HydrophobicContact CD1-CD2 4.37Å; L254-L257 HydrophobicContact CD1-CD1 4.28Å; L254-L257 HydrophobicContact CD1-CD2 4.08Å; L254-L257 HydrophobicContact CD1-CG 4.38Å; L254-L257 HydrophobicContact CD2-CD1 3.75Å; L254-L257 HydrophobicContact CD2-CG 4.48Å; L254-L257 HydrophobicContact CG-CD1 4.14Å; L254-L257 HydrophobicContact CG-CG 4.34Å; L257-I265 HydrophobicContact CD1-CG2 4.3Å; L257-I267 HydrophobicContact CD1-CD1 3.72Å; L257-I267 HydrophobicContact CD1-CG1 4.41Å; L257-G296 PolarHBondContact N-O 3.5Å; L257-L297 HydrophobicContact CB-CD2 3.45Å; L257-L297 VanDerWaalsContact CB-CD2 3.45Å; L257-L297 HydrophobicContact CD1-CD2 3.31Å; L257-L297 HydrophobicContact CG-CD2 3.33Å; L257-L297 CarbonylContact O-C 3.57Å; L257-L297 WeakPolarHBondContact O-CA 2.97Å; L257-S298 PolarHBondContact O-N 2.9Å
258	S	60.1	Low	58.9	Low	49 Å²	49	35.4 Å²	35.4	34%	0.343	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.3	174.4	58.9	0	0	0	0	109.3	L217 S218 G219 S298	L217-S258 PolarHBondContact O-N 3.25Å; S218-S258 CarbonylContact C-O 3.5Å; S218-S258 VanDerWaalsContact CA-O 3.27Å; S218-S258 WeakPolarHBondContact CA-O 3.33Å; S218-S258 WeakPolarHBondContact CB-OG 3.3Å; G219-S258 PolarHBondContact N-O 3.01Å; S258-S298 CarbonylContact C-O 3.55Å; S258-S298 VanDerWaalsContact CA-O 3.26Å; S258-S298 WeakPolarHBondContact CA-O 3.31Å; S258-S298 WeakPolarHBondContact CB-OG 2.98Å
259	G	58	Low	59.4	Low	6 Å²	6	34.1 Å²	34.1	6%	0.062	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.1	169.4	0	0	0	0	0	111.2	G219 S298 G299 E300 Q303	G219-G259 VanDerWaalsContact O-CA 3.3Å; G219-G259 WeakPolarHBondContact O-CA 3.49Å; G259-S298 PolarHBondContact N-O 3.04Å; G259-G299 WeakPolarHBondContact O-CA 2.95Å; G259-E300 PolarHBondContact O-N 2.76Å; G259-Q303 VanDerWaalsContact CA-NE2 3.26Å; G259-Q303 PolarHBondContact O-NE2 3.04Å
260	E	61.6	Low	59.8	Low	76 Å²	76	27.3 Å²	27.3	36%	0.355	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-81.7	169.7	-62.6	179.9	177.4	0	0	109.8	G219 E220 N301 Q303	G219-E260 PolarHBondContact O-N 2.85Å; E220-E260 PolarHBondContact O-N 3.43Å; E260-N301 PolarHBondContact O-N 3.26Å; E260-Q303 PolarHBondContact O-NE2 3.37Å
261	N	64.2	Low	59.8	Low	56 Å²	56	27.1 Å²	27.1	30%	0.299	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.4	-168.6	-54.4	-56.6	0	0	0	114.7	E220 N221 G222 Q263 N301	E220-N261 PolarHBondContact O-N 2.92Å; N221-N261 WeakPolarHBondContact CA-O 3.38Å; N221-N261 VanDerWaalsContact OD1-CB 3.3Å; N221-N261 WeakPolarHBondContact OD1-CB 3.49Å; N221-N261 PolarHBondContact OD1-ND2 3.18Å; G222-N261 PolarHBondContact N-O 3.27Å; N261-Q263 VanDerWaalsContact C-N 3.33Å; N261-Q263 PolarHBondContact O-N 3.07Å; N261-N301 WeakPolarHBondContact CA-O 3.48Å; N261-N301 WeakPolarHBondContact OD1-CB 3.23Å; N261-N301 PolarHBondContact OD1-ND2 3Å; N261-N301 VanDerWaalsContact OD1-ND2 3.13Å
262	G	54.5	Low	59.5	Low	39 Å²	39	25.3 Å²	25.3	40%	0.402	16%	0.16	S	C	.	.	S	Bend	trans	68.2	21.4	160.8	0	0	0	0	0	116.3	N301	G262-N301 PolarHBondContact N-O 2.79Å
263	Q	63.6	Low	59	Low	1 Å²	1	26.3 Å²	26.3	1%	0.005	17%	0.171	C	C	.	.			trans	-79	142.5	-178.4	-61.6	176.9	16.7	0	0	112.6	G219 E220 Q223 N261 I265 Q303 V304	G219-Q263 VanDerWaalsContact CA-NE2 3.33Å; G219-Q263 PolarHBondContact O-NE2 3.28Å; E220-Q263 PolarHBondContact O-NE2 2.92Å; Q223-Q263 HydrophobicContact CB-CG 4.19Å; Q223-Q263 VanDerWaalsContact O-CA 3.3Å; Q223-Q263 WeakPolarHBondContact O-CA 3.27Å; N261-Q263 VanDerWaalsContact C-N 3.33Å; N261-Q263 PolarHBondContact O-N 3.07Å; Q263-I265 HydrophobicContact CB-CG1 4.48Å; Q263-Q303 HydrophobicContact CB-CG 4.12Å; Q263-Q303 CarbonylContact O-C 3.59Å; Q263-Q303 VanDerWaalsContact O-CA 3.28Å; Q263-Q303 WeakPolarHBondContact O-CA 3.4Å; Q263-V304 PolarHBondContact O-N 3.21Å
264	V	60.5	Low	58.1	Low	37 Å²	37	25.5 Å²	25.5	22%	0.224	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.8	172.7	-171.3	0	0	0	0	109.8	Q223 V224 I225 Y266 V304 Y306	Q223-V264 PolarHBondContact O-N 2.9Å; V224-V264 CarbonylContact C-O 3.56Å; V224-V264 WeakPolarHBondContact CA-O 3.33Å; V224-V264 HydrophobicContact CG1-CB 4.44Å; I225-V264 PolarHBondContact N-O 2.88Å; V264-Y266 HydrophobicContact CB-CE2 4.35Å; V264-Y266 HydrophobicContact CG1-CD2 4.12Å; V264-Y266 HydrophobicContact CG1-CE2 3.33Å; V264-V304 CarbonylContact C-O 3.48Å; V264-V304 WeakPolarHBondContact CA-O 3.41Å; V264-V304 HydrophobicContact CG1-CB 4.46Å; V264-Y306 HydrophobicContact CG1-CD2 4.43Å; V264-Y306 HydrophobicContact CG1-CE2 4.22Å
265	I	59.2	Low	57	Low	3 Å²	3	29.1 Å²	29.1	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120	-173.2	-56.8	174.3	0	0	0	110	I225 L257 Q263 I267 V304 I305 Y306	I225-I265 HydrophobicContact CB-CG1 4.38Å; I225-I265 HydrophobicContact CB-CG2 4.49Å; I225-I265 HydrophobicContact CD1-CG1 4.42Å; I225-I265 CarbonylContact O-C 3.57Å; I225-I265 WeakPolarHBondContact O-CA 3.2Å; L257-I265 HydrophobicContact CD1-CG2 4.3Å; Q263-I265 HydrophobicContact CB-CG1 4.48Å; I265-I267 HydrophobicContact CG2-CD1 3.65Å; I265-I267 HydrophobicContact CG2-CG1 3.76Å; I265-V304 PolarHBondContact N-O 2.97Å; I265-I305 HydrophobicContact CB-CG1 4.34Å; I265-I305 HydrophobicContact CB-CG2 4.36Å; I265-I305 HydrophobicContact CD1-CG1 4.46Å; I265-I305 CarbonylContact O-C 3.11Å; I265-I305 WeakPolarHBondContact O-CA 3.37Å; I265-Y306 PolarHBondContact O-N 2.94Å
266	Y	58.3	Low	55.3	Low	82 Å²	82	27.3 Å²	27.3	32%	0.322	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	108.9	175.3	-62.7	-88.2	0	0	0	110.4	V224 I225 Y226 I227 V264 Y306	V224-Y266 HydrophobicContact CG1-CD2 4.44Å; V224-Y266 HydrophobicContact CG1-CE2 4.22Å; I225-Y266 PolarHBondContact O-N 3.49Å; Y226-Y266 AromaticContact CD1-CD2 3.6Å; Y226-Y266 HydrophobicContact CD1-CD2 3.6Å; Y226-Y266 HydrophobicContact CD1-CE2 4.45Å; Y226-Y266 AromaticContact CD1-CG 3.85Å; Y226-Y266 HydrophobicContact CD1-CG 3.85Å; Y226-Y266 AromaticContact CE1-CD2 3.21Å; Y226-Y266 HydrophobicContact CE1-CD2 3.21Å; Y226-Y266 AromaticContact CE1-CE2 3.63Å; Y226-Y266 HydrophobicContact CE1-CE2 3.63Å; Y226-Y266 AromaticContact CE1-CG 3.74Å; Y226-Y266 HydrophobicContact CE1-CG 3.74Å; Y226-Y266 HydrophobicContact CG-CD2 4.42Å; Y226-Y266 AromaticContact CZ-CD2 3.79Å; Y226-Y266 AromaticContact CZ-CE2 3.89Å; I227-Y266 PolarHBondContact N-O 2.94Å; V264-Y266 HydrophobicContact CB-CE2 4.35Å; V264-Y266 HydrophobicContact CG1-CD2 4.12Å; V264-Y266 HydrophobicContact CG1-CE2 3.33Å; Y266-Y306 AromaticContact CD1-CD2 3.62Å; Y266-Y306 HydrophobicContact CD1-CD2 3.62Å; Y266-Y306 HydrophobicContact CD1-CE2 4.48Å; Y266-Y306 AromaticContact CD1-CG 3.9Å; Y266-Y306 HydrophobicContact CD1-CG 3.9Å; Y266-Y306 AromaticContact CE1-CD2 3.24Å; Y266-Y306 HydrophobicContact CE1-CD2 3.24Å; Y266-Y306 AromaticContact CE1-CE2 3.68Å; Y266-Y306 HydrophobicContact CE1-CE2 3.68Å; Y266-Y306 AromaticContact CE1-CG 3.8Å; Y266-Y306 HydrophobicContact CE1-CG 3.8Å; Y266-Y306 HydrophobicContact CG-CD2 4.44Å; Y266-Y306 AromaticContact CZ-CD2 3.82Å; Y266-Y306 AromaticContact CZ-CE2 3.94Å
267	I	57.3	Low	54	Low	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.5	-180	-64.4	148.4	0	0	0	110.3	I227 L254 L257 I265 M269 L294 L297 I305 Y306 I307 T308	I227-I267 HydrophobicContact CB-CG1 4.23Å; I227-I267 HydrophobicContact CD1-CG1 4.14Å; I227-I267 HydrophobicContact CG1-CG1 4.48Å; L254-I267 HydrophobicContact CD2-CB 4.42Å; L254-I267 HydrophobicContact CD2-CD1 3.66Å; L254-I267 HydrophobicContact CD2-CG1 3.82Å; L254-I267 HydrophobicContact CD2-CG2 3.69Å; L257-I267 HydrophobicContact CD1-CD1 3.72Å; L257-I267 HydrophobicContact CD1-CG1 4.41Å; I265-I267 HydrophobicContact CG2-CD1 3.65Å; I265-I267 HydrophobicContact CG2-CG1 3.76Å; I267-M269 HydrophobicContact CG2-CB 4.48Å; I267-L294 HydrophobicContact CD1-CD1 4.35Å; I267-L294 HydrophobicContact CG2-CD1 3.86Å; I267-L297 HydrophobicContact CD1-CD1 4.22Å; I267-I305 HydrophobicContact CD1-CG2 4.25Å; I267-Y306 PolarHBondContact N-O 3.15Å; I267-I307 HydrophobicContact CB-CG1 4.26Å; I267-I307 HydrophobicContact CD1-CG1 3.95Å; I267-T308 PolarHBondContact O-N 2.99Å
268	T	59.2	Low	52	Low	47 Å²	47	36.6 Å²	36.6	29%	0.288	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	102.2	170.5	-63.7	0	0	0	0	110	I227 T228 M229 S231 S271 T308	I227-T268 PolarHBondContact O-N 3.15Å; T228-T268 WeakPolarHBondContact CA-O 3.37Å; M229-T268 PolarHBondContact N-O 3.19Å; S231-T268 PolarHBondContact OG-O 2.95Å; T268-S271 VanDerWaalsContact CG2-CB 3.5Å; T268-T308 WeakPolarHBondContact CA-O 3.27Å
269	M	60.2	Low	50.4	Low	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.9	-177.8	-168.5	-160.2	-71.7	0	0	112.2	M229 L254 I267 S271 L294 T308 M309 N310	M229-M269 HydrophobicContact CB-CG 4.28Å; M229-M269 HydrophobicContact CE-CE 3.55Å; M229-M269 HydrophobicContact CE-CG 4.28Å; M229-M269 WeakPolarHBondContact O-CA 3.31Å; L254-M269 HydrophobicContact CB-CE 3.41Å; L254-M269 VanDerWaalsContact CB-CE 3.41Å; I267-M269 HydrophobicContact CG2-CB 4.48Å; M269-S271 PolarHBondContact O-N 3.31Å; M269-S271 VanDerWaalsContact O-N 3.11Å; M269-S271 PolarHBondContact O-OG 2.88Å; M269-L294 HydrophobicContact CE-CB 4.26Å; M269-L294 HydrophobicContact CE-CD1 3.97Å; M269-T308 PolarHBondContact N-O 2.92Å; M269-M309 HydrophobicContact CB-CG 4.02Å; M269-M309 HydrophobicContact CB-SD 4.31Å; M269-M309 HydrophobicContact CE-SD 4.19Å; M269-M309 WeakPolarHBondContact O-CA 3.3Å; M269-M309 HydrophobicContact SD-SD 3.86Å; M269-N310 PolarHBondContact O-N 2.85Å
270	N	60.8	Low	48.9	Very low	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	55.9	29.2	174.7	-62.9	-35.3	0	0	0	112.9	M229 N230 R250 R290 N291 G292 N310	M229-N270 PolarHBondContact O-N 2.87Å; N230-N270 WeakPolarHBondContact CB-OD1 3.3Å; N230-N270 PolarHBondContact ND2-OD1 2.76Å; R250-N270 WeakPolarHBondContact CB-OD1 3.28Å; N270-R290 HydrophobicContact CB-CB 4.45Å; N270-R290 WeakPolarHBondContact O-CD 3.34Å; N270-R290 PolarHBondContact O-NH1 3.19Å; N270-N291 PolarHBondContact ND2-O 2.77Å; N270-N291 VanDerWaalsContact ND2-O 3.16Å; N270-G292 WeakPolarHBondContact ND2-CA 3.21Å; N270-N310 VanDerWaalsContact CB-OD1 3.23Å; N270-N310 WeakPolarHBondContact CB-OD1 3.45Å; N270-N310 PolarHBondContact ND2-OD1 3.13Å
271	S	56.7	Low	47.5	Very low	11 Å²	11	44 Å²	44	8%	0.077	22%	0.222	C	C	.	.			trans	-95.6	156.5	-175.9	-66.7	0	0	0	0	111.4	S231 S232 R250 T268 M269 T308 S311	S231-S271 VanDerWaalsContact CA-O 3.24Å; S231-S271 WeakPolarHBondContact CA-O 3.24Å; S231-S271 PolarHBondContact OG-N 2.99Å; S232-S271 PolarHBondContact N-O 3.11Å; S232-S271 VanDerWaalsContact N-O 3.12Å; R250-S271 PolarHBondContact NH1-O 2.97Å; T268-S271 VanDerWaalsContact CG2-CB 3.5Å; M269-S271 PolarHBondContact O-N 3.31Å; M269-S271 VanDerWaalsContact O-N 3.11Å; M269-S271 PolarHBondContact O-OG 2.88Å; S271-T308 PolarHBondContact OG-O 2.92Å; S271-S311 VanDerWaalsContact CA-O 3.28Å; S271-S311 WeakPolarHBondContact CA-O 3.16Å
272	S	52.8	Low	45.9	Very low	6 Å²	6	48.3 Å²	48.3	4%	0.042	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-154.5	126.8	176.2	61.2	0	0	0	0	112.5	S232 L286 R290 S311 S312 G313	S232-S272 WeakPolarHBondContact O-CA 3.2Å; S232-S272 VanDerWaalsContact O-CB 3.27Å; S232-S272 WeakPolarHBondContact O-CB 3.2Å; S272-L286 WeakPolarHBondContact OG-CD1 3.39Å; S272-R290 PolarHBondContact OG-NH1 2.98Å; S272-R290 PolarHBondContact OG-NH2 2.85Å; S272-S311 PolarHBondContact N-O 2.96Å; S272-S311 VanDerWaalsContact N-O 3.07Å; S272-S312 WeakPolarHBondContact O-CA 3.33Å; S272-S312 WeakPolarHBondContact O-CB 2.93Å; S272-G313 PolarHBondContact O-N 2.94Å
273	G	49.3	Very low	44.9	Very low	25 Å²	25	48.7 Å²	48.7	26%	0.258	23%	0.233	S	C	.	.			trans	177.6	149.3	177	0	0	0	0	0	109.4	S232 G233 G313	S232-G273 PolarHBondContact O-N 2.88Å; G233-G273 WeakPolarHBondContact CA-O 3.39Å; G273-G313 WeakPolarHBondContact CA-O 3.29Å
274	P	41.4	Very low	43.5	Very low	18 Å²	18	49.3 Å²	49.3	12%	0.117	24%	0.237	C	C	.	.			trans	-73.9	142.7	171.7	31.1	-31.8	0	0	0	110.7	P234 P314 N315	P234-P274 HydrophobicContact CG-CB 3.94Å; P234-P274 VanDerWaalsContact O-CA 3.3Å; P234-P274 WeakPolarHBondContact O-CA 3.29Å; P274-P314 HydrophobicContact CG-CB 4.01Å; P274-P314 WeakPolarHBondContact O-CA 3.11Å; P274-N315 PolarHBondContact O-N 2.77Å
275	N	37.4	Very low	42.3	Very low	76 Å²	76	55.8 Å²	55.8	41%	0.406	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-91.1	109.8	157.2	-69.1	-32.1	0	0	0	105.2	P234 N235 S236 N315	P234-N275 PolarHBondContact O-N 2.89Å; N235-N275 WeakPolarHBondContact OD1-CB 3.34Å; N235-N275 PolarHBondContact OD1-ND2 3.34Å; N235-N275 VanDerWaalsContact OD1-ND2 3.09Å; S236-N275 PolarHBondContact N-O 2.82Å; N275-N315 PolarHBondContact OD1-ND2 2.96Å
276	S	28.7	Very low	41.2	Very low	2 Å²	2	56 Å²	56	1%	0.014	26%	0.259	C	S	.	.			trans	-149.8	126.4	-175.4	46	0	0	0	0	111.7	S236 Y281 S316	S236-S276 WeakPolarHBondContact O-CA 3.36Å; S236-S276 WeakPolarHBondContact O-CB 3.42Å; S276-Y281 WeakPolarHBondContact CB-OH 3.47Å; S276-S316 WeakPolarHBondContact O-CB 3.34Å
277	Y	25.2	Very low	40.4	Very low	134 Å²	134	54.3 Å²	54.3	53%	0.525	26%	0.259	S	S	.	.			trans	-92.6	127.1	169.8	-64.9	-92.5	0	0	0	108.5	H237	H237-Y277 AromaticContact CE1-CD2 3.65Å; H237-Y277 AromaticContact ND1-CD2 3.95Å
278	H	23.1	Very low	39.9	Very low	99 Å²	99	55.7 Å²	55.7	46%	0.458	27%	0.273	S	S	.	.	S	Bend	trans	72.9	129	168.2	-61	-80.4	0	0	0	121.7	Y281	H278-Y281 PolarHBondContact O-OH 3.23Å
279	N	26.8	Very low	39.6	Very low	73 Å²	73	57.9 Å²	57.9	39%	0.39	28%	0.276	S	S	.	.	S	Bend	trans	80.7	135.1	153.4	-100.6	-29.4	0	0	0	121.3	L239 Y281	L239-N279 HydrophobicContact CD2-CB 3.97Å; N279-Y281 WeakPolarHBondContact O-CD2 3.31Å; N279-Y281 WeakPolarHBondContact O-CE2 3.28Å; N279-Y281 PolarHBondContact O-N 2.81Å
280	R	26.7	Very low	39.3	Very low	183 Å²	183	58.6 Å²	58.6	69%	0.691	28%	0.279	S	S	*	.			trans	22.2	80.4	168.4	-78.7	-167.9	-93.7	-176.4	-4.1	118.1	P240 F321	P240-R280 VanDerWaalsContact CA-O 3.25Å; P240-R280 WeakPolarHBondContact CA-O 3.26Å; P240-R280 HydrophobicContact CB-CB 4.31Å; P240-R280 VanDerWaalsContact CB-O 3.28Å; P240-R280 WeakPolarHBondContact CB-O 3.32Å; R280-F321 VanDerWaalsContact CA-CE1 3.44Å; R280-F321 HydrophobicContact CB-CE1 4.41Å; R280-F321 HydrophobicContact CB-CZ 4.25Å; R280-F321 HydrophobicContact CG-CE1 4.32Å; R280-F321 HydrophobicContact CG-CZ 4.14Å
281	Y	32.8	Very low	39.1	Very low	32 Å²	32	60.4 Å²	60.4	13%	0.125	29%	0.289	C	S	.	.			trans	-106.9	126.7	177.2	-63.1	-71.8	0	0	0	114.1	F241 S276 H278 N279 F321	F241-Y281 HydrophobicContact CB-CD1 4.15Å; F241-Y281 HydrophobicContact CB-CE1 4.36Å; F241-Y281 AromaticContact CD2-CE1 3.91Å; F241-Y281 HydrophobicContact CD2-CE1 3.91Å; S276-Y281 WeakPolarHBondContact CB-OH 3.47Å; H278-Y281 PolarHBondContact O-OH 3.23Å; N279-Y281 WeakPolarHBondContact O-CD2 3.31Å; N279-Y281 WeakPolarHBondContact O-CE2 3.28Å; N279-Y281 PolarHBondContact O-N 2.81Å; Y281-F321 HydrophobicContact CD2-CD2 4.28Å; Y281-F321 HydrophobicContact CD2-CE2 4.09Å; Y281-F321 WeakPolarHBondContact O-CD1 3.25Å; Y281-F321 WeakPolarHBondContact O-CE1 3.3Å
282	F	29.5	Very low	39.2	Very low	146 Å²	146	60 Å²	60	64%	0.64	29%	0.287	S	S	*	.			trans	-86.1	126.2	163.7	-70.6	-82.3	0	0	0	109	F241 P243	F241-F282 PolarHBondContact O-N 3.13Å; P243-F282 WeakPolarHBondContact CD-O 3.36Å; P243-F282 WeakPolarHBondContact CG-O 3.36Å
283	P	33.4	Very low	39.7	Very low	46 Å²	46	61.8 Å²	61.8	30%	0.299	30%	0.299	S	S	.	.			trans	-78.2	146.7	-165.2	37.8	-46.7	0	0	0	114.4	R285 S322 P324	P283-R285 PolarHBondContact O-N 2.86Å; P283-S322 WeakPolarHBondContact CB-O 3.37Å; P283-S322 WeakPolarHBondContact CG-O 3.32Å; P283-P324 VanDerWaalsContact CB-CA 3.41Å; P283-P324 HydrophobicContact CB-CB 3.55Å; P283-P324 VanDerWaalsContact CB-CD 3.45Å; P283-P324 HydrophobicContact CB-CG 3.63Å; P283-P324 HydrophobicContact CG-CB 4.1Å
284	T	34.7	Very low	40.1	Very low	14 Å²	14	60.6 Å²	60.6	9%	0.086	29%	0.287	C	S	.	.			trans	-62.5	104.9	-177.4	-35.6	0	0	0	0	115.3	P243 P244 L246 L286 P324	P243-T284 HydrophobicContact CB-CG2 3.91Å; P243-T284 WeakPolarHBondContact CB-OG1 3.19Å; P243-T284 HydrophobicContact CG-CG2 4.39Å; P243-T284 WeakPolarHBondContact CG-OG1 3.29Å; P244-T284 WeakPolarHBondContact O-CG2 2.92Å; L246-T284 HydrophobicContact CD1-CG2 4.32Å; L246-T284 HydrophobicContact CG-CG2 4.16Å; T284-L286 HydrophobicContact CG2-CD2 3.71Å; T284-L286 HydrophobicContact CG2-CG 4.45Å; T284-L286 WeakPolarHBondContact O-CG 3.3Å; T284-L286 PolarHBondContact O-N 3.24Å; T284-P324 WeakPolarHBondContact O-CB 3.27Å; T284-P324 VanDerWaalsContact O-CG 3.24Å; T284-P324 WeakPolarHBondContact O-CG 3.39Å
285	R	34.5	Very low	41.1	Very low	173 Å²	173	61.6 Å²	61.6	65%	0.653	29%	0.294	S	S	*	.			trans	-61.6	108.2	172.6	-79	-174.4	-175.8	-169.8	2.8	111.1	P245 L246 P283 P325	P245-R285 WeakPolarHBondContact CA-O 3.39Å; P245-R285 HydrophobicContact CB-CB 4.38Å; L246-R285 PolarHBondContact N-O 2.78Å; P283-R285 PolarHBondContact O-N 2.86Å; R285-P325 HydrophobicContact CG-CB 4.5Å; R285-P325 HydrophobicContact CG-CG 4.21Å
286	L	36.3	Very low	41.8	Very low	8 Å²	8	59.5 Å²	59.5	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.5	177.4	-55.4	173.4	0	0	0	108.9	L246 S272 T284 P325 L326 S327	L246-L286 HydrophobicContact CB-CD2 3.58Å; L246-L286 HydrophobicContact CD1-CD2 3.4Å; L246-L286 HydrophobicContact CG-CD2 3.71Å; S272-L286 WeakPolarHBondContact OG-CD1 3.39Å; T284-L286 HydrophobicContact CG2-CD2 3.71Å; T284-L286 HydrophobicContact CG2-CG 4.45Å; T284-L286 WeakPolarHBondContact O-CG 3.3Å; T284-L286 PolarHBondContact O-N 3.24Å; L286-P325 PolarHBondContact N-O 2.99Å; L286-L326 HydrophobicContact CB-CD2 3.59Å; L286-L326 HydrophobicContact CD1-CD2 3.44Å; L286-L326 VanDerWaalsContact CD1-CD2 3.44Å; L286-L326 HydrophobicContact CG-CD2 3.7Å; L286-S327 PolarHBondContact O-N 2.97Å
287	S	41.6	Very low	43.4	Very low	46 Å²	46	59.6 Å²	59.6	32%	0.322	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.8	178.5	61.2	0	0	0	0	110.6	L246 S247 G248 S327	L246-S287 PolarHBondContact O-N 3.47Å; L246-S287 VanDerWaalsContact O-O 3.14Å; S247-S287 WeakPolarHBondContact CA-O 3.3Å; S247-S287 WeakPolarHBondContact CB-OG 2.97Å; G248-S287 PolarHBondContact N-O 3.06Å; S287-S327 CarbonylContact C-O 3.46Å; S287-S327 VanDerWaalsContact CA-O 3.23Å; S287-S327 WeakPolarHBondContact CA-O 3.34Å; S287-S327 VanDerWaalsContact CB-OG 3.31Å; S287-S327 WeakPolarHBondContact CB-OG 3.48Å
288	G	46.9	Very low	45	Very low	30 Å²	30	55.5 Å²	55.5	31%	0.309	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	163.2	179.3	176.1	0	0	0	0	0	117.1	G248 S327 G328 R329	G248-G288 VanDerWaalsContact O-CA 3.29Å; G248-G288 WeakPolarHBondContact O-CA 3.36Å; G288-S327 PolarHBondContact N-O 3Å; G288-S327 VanDerWaalsContact N-O 3.07Å; G288-G328 CarbonylContact O-C 3.46Å; G288-G328 VanDerWaalsContact O-CA 3.32Å; G288-G328 WeakPolarHBondContact O-CA 3.45Å; G288-R329 PolarHBondContact O-N 3.2Å
289	R	52.8	Low	46.6	Very low	93 Å²	93	51.1 Å²	51.1	35%	0.351	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.9	175.2	-169.8	174.4	-176.3	-167.8	1.1	109.3	G248 R249 R250 N291 R329	G248-R289 PolarHBondContact O-N 2.69Å; R249-R289 CarbonylContact C-O 3.58Å; R249-R289 VanDerWaalsContact CA-O 3.28Å; R249-R289 WeakPolarHBondContact CA-O 3.17Å; R249-R289 HydrophobicContact CG-CB 4.22Å; R250-R289 PolarHBondContact N-O 3.38Å; R289-N291 PolarHBondContact NE-ND2 3.23Å; R289-N291 PolarHBondContact NE-OD1 2.91Å; R289-R329 CarbonylContact C-O 3.56Å; R289-R329 VanDerWaalsContact CA-O 3.28Å; R289-R329 WeakPolarHBondContact CA-O 3.47Å; R289-R329 HydrophobicContact CG-CB 4.26Å
290	R	54.4	Low	48.2	Very low	15 Å²	15	51.2 Å²	51.2	6%	0.057	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.8	174	-56.3	-176.7	-174.6	-172.2	3.2	108.3	R250 N270 S272 N310 S311 R329 R330 N331	R250-R290 HydrophobicContact CB-CG 4.49Å; R250-R290 CarbonylContact O-C 3.57Å; R250-R290 WeakPolarHBondContact O-CA 3.26Å; N270-R290 HydrophobicContact CB-CB 4.45Å; N270-R290 WeakPolarHBondContact O-CD 3.34Å; N270-R290 PolarHBondContact O-NH1 3.19Å; S272-R290 PolarHBondContact OG-NH1 2.98Å; S272-R290 PolarHBondContact OG-NH2 2.85Å; R290-N310 WeakPolarHBondContact CB-OD1 3.25Å; R290-S311 PolarHBondContact NH1-O 3.03Å; R290-R329 PolarHBondContact N-O 2.9Å; R290-R330 HydrophobicContact CB-CG 4.37Å; R290-R330 CarbonylContact O-C 3.54Å; R290-R330 WeakPolarHBondContact O-CA 3.29Å; R290-N331 PolarHBondContact O-N 2.96Å
291	N	56.9	Low	49.9	Very low	38 Å²	38	45.3 Å²	45.3	20%	0.203	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.2	172.9	-63.7	-14.3	0	0	0	107.1	R250 N251 G252 N270 R289 N331	R250-N291 PolarHBondContact O-N 2.77Å; N251-N291 CarbonylContact C-O 3.6Å; N251-N291 WeakPolarHBondContact CA-O 3.18Å; G252-N291 PolarHBondContact N-O 2.95Å; N270-N291 PolarHBondContact ND2-O 2.77Å; N270-N291 VanDerWaalsContact ND2-O 3.16Å; R289-N291 PolarHBondContact NE-ND2 3.23Å; R289-N291 PolarHBondContact NE-OD1 2.91Å; N291-N331 CarbonylContact C-O 3.47Å; N291-N331 VanDerWaalsContact CA-O 3.24Å; N291-N331 WeakPolarHBondContact CA-O 3.1Å
292	G	59	Low	50.9	Low	3 Å²	3	45.5 Å²	45.5	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.8	174.1	0	0	0	0	0	109.2	G252 N270 N331 G332 S333	G252-G292 CarbonylContact O-C 3.56Å; G252-G292 WeakPolarHBondContact O-CA 3.46Å; N270-G292 WeakPolarHBondContact ND2-CA 3.21Å; G292-N331 PolarHBondContact N-O 2.92Å; G292-G332 CarbonylContact O-C 3.43Å; G292-G332 VanDerWaalsContact O-CA 3.3Å; G292-G332 WeakPolarHBondContact O-CA 3.48Å; G292-S333 PolarHBondContact O-N 3.42Å
293	S	61.3	Low	52.5	Low	44 Å²	44	38.7 Å²	38.7	31%	0.308	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132	165.6	57.9	0	0	0	0	108.5	G252 S253 L254 S333	G252-S293 PolarHBondContact O-N 2.84Å; S253-S293 CarbonylContact C-O 3.52Å; S253-S293 VanDerWaalsContact CA-O 3.25Å; S253-S293 WeakPolarHBondContact CA-O 3.43Å; S253-S293 WeakPolarHBondContact CB-OG 3.26Å; L254-S293 PolarHBondContact N-O 2.78Å; S293-S333 CarbonylContact C-O 3.56Å; S293-S333 WeakPolarHBondContact CA-O 3.29Å; S293-S333 WeakPolarHBondContact CB-OG 3.45Å
294	L	58.2	Low	53.7	Low	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121.7	176.6	-172.2	142.5	0	0	0	108.1	L254 I267 M269 L297 I307 M309 S333 L334 S335 L337	L254-L294 HydrophobicContact CB-CB 4.46Å; L254-L294 HydrophobicContact CB-CD1 3.91Å; L254-L294 HydrophobicContact CB-CG 3.96Å; L254-L294 HydrophobicContact CD2-CD1 3.34Å; L254-L294 HydrophobicContact CD2-CG 3.97Å; L254-L294 HydrophobicContact CG-CD1 4.13Å; L254-L294 HydrophobicContact CG-CG 4.31Å; L254-L294 CarbonylContact O-C 3.54Å; L254-L294 VanDerWaalsContact O-CA 3.3Å; L254-L294 WeakPolarHBondContact O-CA 3.3Å; I267-L294 HydrophobicContact CD1-CD1 4.35Å; I267-L294 HydrophobicContact CG2-CD1 3.86Å; M269-L294 HydrophobicContact CE-CB 4.26Å; M269-L294 HydrophobicContact CE-CD1 3.97Å; L294-L297 HydrophobicContact CD2-CD1 3.49Å; L294-L297 VanDerWaalsContact CD2-CD1 3.49Å; L294-L297 HydrophobicContact CD2-CD2 4.15Å; L294-L297 HydrophobicContact CD2-CG 3.72Å; L294-I307 HydrophobicContact CD1-CG2 4.3Å; L294-I307 HydrophobicContact CD2-CD1 4.09Å; L294-M309 HydrophobicContact CB-CE 3.91Å; L294-M309 HydrophobicContact CB-SD 3.89Å; L294-M309 HydrophobicContact CD1-SD 4.11Å; L294-S333 PolarHBondContact N-O 2.96Å; L294-L334 HydrophobicContact CB-CD2 3.74Å; L294-L334 HydrophobicContact CB-CG 4.49Å; L294-L334 HydrophobicContact CD2-CD2 3.3Å; L294-L334 HydrophobicContact CG-CD2 4.04Å; L294-L334 VanDerWaalsContact O-CA 3.32Å; L294-L334 WeakPolarHBondContact O-CA 3.18Å; L294-S335 PolarHBondContact O-N 2.93Å; L294-L337 HydrophobicContact CD2-CD2 3.94Å
295	S	62.1	Low	54.8	Low	38 Å²	38	37.6 Å²	37.6	27%	0.266	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149.2	-171.7	59.5	0	0	0	0	116.4	L254 S255 G256 S335	L254-S295 PolarHBondContact O-N 2.75Å; S255-S295 CarbonylContact C-O 3.55Å; S255-S295 WeakPolarHBondContact CA-O 3Å; S255-S295 WeakPolarHBondContact CB-O 3.45Å; G256-S295 PolarHBondContact N-O 3.02Å; S295-S335 CarbonylContact C-O 3.57Å; S295-S335 WeakPolarHBondContact CA-O 3.38Å; S295-S335 WeakPolarHBondContact CB-O 3.19Å; S295-S335 WeakPolarHBondContact CB-OG 3.22Å
296	G	53	Low	56	Low	32 Å²	32	33.4 Å²	33.4	33%	0.33	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67.9	52.7	-179.4	0	0	0	0	0	110.8	G256 L257 S335 G336	G256-G296 CarbonylContact C-O 3.39Å; G256-G296 WeakPolarHBondContact CA-O 3.42Å; G256-G296 PolarHBondContact N-O 2.76Å; L257-G296 PolarHBondContact N-O 3.5Å; G296-S335 PolarHBondContact N-O 3.16Å; G296-G336 CarbonylContact C-O 3.58Å; G296-G336 WeakPolarHBondContact CA-O 3.44Å; G296-G336 PolarHBondContact N-O 3.03Å
297	L	62.7	Low	57	Low	4 Å²	4	33 Å²	33	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.6	159.7	-52.6	-172.3	0	0	0	106.1	L257 I267 L294 I305 I307 G336 L337 S338	L257-L297 HydrophobicContact CB-CD2 3.45Å; L257-L297 VanDerWaalsContact CB-CD2 3.45Å; L257-L297 HydrophobicContact CD1-CD2 3.31Å; L257-L297 HydrophobicContact CG-CD2 3.33Å; L257-L297 CarbonylContact O-C 3.57Å; L257-L297 WeakPolarHBondContact O-CA 2.97Å; I267-L297 HydrophobicContact CD1-CD1 4.22Å; L294-L297 HydrophobicContact CD2-CD1 3.49Å; L294-L297 VanDerWaalsContact CD2-CD1 3.49Å; L294-L297 HydrophobicContact CD2-CD2 4.15Å; L294-L297 HydrophobicContact CD2-CG 3.72Å; L297-I305 HydrophobicContact CD1-CD1 4.32Å; L297-I305 HydrophobicContact CD1-CG2 4.07Å; L297-I307 HydrophobicContact CD1-CD1 3.72Å; L297-G336 PolarHBondContact N-O 3.43Å; L297-L337 HydrophobicContact CB-CD2 3.63Å; L297-L337 HydrophobicContact CD1-CD2 3.6Å; L297-L337 HydrophobicContact CG-CD2 3.46Å; L297-L337 VanDerWaalsContact CG-CD2 3.46Å; L297-L337 CarbonylContact O-C 3.53Å; L297-L337 VanDerWaalsContact O-CA 3.3Å; L297-L337 WeakPolarHBondContact O-CA 3.28Å; L297-S338 PolarHBondContact O-N 3.07Å
298	S	58.8	Low	57.8	Low	48 Å²	48	33 Å²	33	34%	0.336	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.9	175.2	57.9	0	0	0	0	109.5	L257 S258 G259 S338	L257-S298 PolarHBondContact O-N 2.9Å; S258-S298 CarbonylContact C-O 3.55Å; S258-S298 VanDerWaalsContact CA-O 3.26Å; S258-S298 WeakPolarHBondContact CA-O 3.31Å; S258-S298 WeakPolarHBondContact CB-OG 2.98Å; G259-S298 PolarHBondContact N-O 3.04Å; S298-S338 VanDerWaalsContact CA-O 3.27Å; S298-S338 WeakPolarHBondContact CA-O 3.28Å; S298-S338 WeakPolarHBondContact CB-OG 3.47Å
299	G	56.4	Low	58.3	Low	7 Å²	7	31.6 Å²	31.6	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	163	169.5	0	0	0	0	0	111.5	G259 Q303 S338 G339 E340 Q343	G259-G299 WeakPolarHBondContact O-CA 2.95Å; G299-Q303 VanDerWaalsContact CA-CD 3.5Å; G299-S338 PolarHBondContact N-O 2.81Å; G299-G339 WeakPolarHBondContact O-CA 3.3Å; G299-E340 PolarHBondContact O-N 3.44Å; G299-Q343 VanDerWaalsContact CA-NE2 3.28Å; G299-Q343 PolarHBondContact O-NE2 3.46Å
300	E	60.5	Low	58.6	Low	75 Å²	75	27.2 Å²	27.2	35%	0.35	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-84.2	168.6	-61.8	179.9	176.6	0	0	110.3	G259 N341 Q343	G259-E300 PolarHBondContact O-N 2.76Å; E300-N341 PolarHBondContact O-N 3.4Å; E300-Q343 PolarHBondContact O-NE2 2.81Å
301	N	61.8	Low	58.6	Low	59 Å²	59	26.9 Å²	26.9	32%	0.316	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.7	-168.6	-59	-52.2	0	0	0	114.3	E260 N261 G262 Q303 N341	E260-N301 PolarHBondContact O-N 3.26Å; N261-N301 WeakPolarHBondContact CA-O 3.48Å; N261-N301 WeakPolarHBondContact OD1-CB 3.23Å; N261-N301 PolarHBondContact OD1-ND2 3Å; N261-N301 VanDerWaalsContact OD1-ND2 3.13Å; G262-N301 PolarHBondContact N-O 2.79Å; N301-Q303 VanDerWaalsContact C-N 3.31Å; N301-Q303 PolarHBondContact O-N 3.03Å; N301-N341 CarbonylContact C-O 3.55Å; N301-N341 WeakPolarHBondContact CA-O 3.35Å; N301-N341 WeakPolarHBondContact OD1-CB 3.12Å; N301-N341 PolarHBondContact OD1-ND2 2.88Å
302	G	54.6	Low	58.3	Low	37 Å²	37	25.4 Å²	25.4	38%	0.381	16%	0.161	S	C	.	.	S	Bend	trans	68.8	18.1	162.6	0	0	0	0	0	116.3	N341	G302-N341 PolarHBondContact N-O 2.83Å
303	Q	61.6	Low	57.7	Low	2 Å²	2	26.4 Å²	26.4	1%	0.009	17%	0.17	C	C	.	.			trans	-77.3	138.8	-179.1	-60.8	175.2	20	0	0	112.6	G259 E260 Q263 G299 N301 Q343 V344	G259-Q303 VanDerWaalsContact CA-NE2 3.26Å; G259-Q303 PolarHBondContact O-NE2 3.04Å; E260-Q303 PolarHBondContact O-NE2 3.37Å; Q263-Q303 HydrophobicContact CB-CG 4.12Å; Q263-Q303 CarbonylContact O-C 3.59Å; Q263-Q303 VanDerWaalsContact O-CA 3.28Å; Q263-Q303 WeakPolarHBondContact O-CA 3.4Å; G299-Q303 VanDerWaalsContact CA-CD 3.5Å; N301-Q303 VanDerWaalsContact C-N 3.31Å; N301-Q303 PolarHBondContact O-N 3.03Å; Q303-Q343 HydrophobicContact CB-CG 4.09Å; Q303-Q343 WeakPolarHBondContact O-CA 3.45Å; Q303-V344 PolarHBondContact O-N 2.99Å
304	V	59.9	Low	56.7	Low	34 Å²	34	25.8 Å²	25.8	21%	0.206	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.5	175.5	-171.5	0	0	0	0	109.7	Q263 V264 I265 Y306 V344 Y346	Q263-V304 PolarHBondContact O-N 3.21Å; V264-V304 CarbonylContact C-O 3.48Å; V264-V304 WeakPolarHBondContact CA-O 3.41Å; V264-V304 HydrophobicContact CG1-CB 4.46Å; I265-V304 PolarHBondContact N-O 2.97Å; V304-Y306 HydrophobicContact CB-CE2 4.35Å; V304-Y306 HydrophobicContact CG1-CD2 4.11Å; V304-Y306 HydrophobicContact CG1-CE2 3.33Å; V304-V344 WeakPolarHBondContact CA-O 3.09Å; V304-Y346 HydrophobicContact CG1-CD2 4.33Å; V304-Y346 HydrophobicContact CG1-CE2 4.18Å
305	I	58.4	Low	55.6	Low	3 Å²	3	29.9 Å²	29.9	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.6	-173.6	-53.9	178.8	0	0	0	110.1	I265 I267 L297 I307 V344 I345 Y346	I265-I305 HydrophobicContact CB-CG1 4.34Å; I265-I305 HydrophobicContact CB-CG2 4.36Å; I265-I305 HydrophobicContact CD1-CG1 4.46Å; I265-I305 CarbonylContact O-C 3.11Å; I265-I305 WeakPolarHBondContact O-CA 3.37Å; I267-I305 HydrophobicContact CD1-CG2 4.25Å; L297-I305 HydrophobicContact CD1-CD1 4.32Å; L297-I305 HydrophobicContact CD1-CG2 4.07Å; I305-I307 HydrophobicContact CG2-CD1 3.77Å; I305-I307 HydrophobicContact CG2-CG1 3.79Å; I305-V344 PolarHBondContact N-O 2.81Å; I305-I345 HydrophobicContact CB-CG1 4.36Å; I305-I345 HydrophobicContact CB-CG2 4.27Å; I305-I345 HydrophobicContact CD1-CG1 4.49Å; I305-I345 HydrophobicContact CG2-CG2 4.49Å; I305-I345 CarbonylContact O-C 3.59Å; I305-I345 WeakPolarHBondContact O-CA 3.37Å; I305-Y346 PolarHBondContact O-N 3.06Å
306	Y	58.5	Low	54	Low	85 Å²	85	29.3 Å²	29.3	33%	0.333	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.6	175.6	-62.4	-87.1	0	0	0	110.4	V264 I265 Y266 I267 V304 Y346	V264-Y306 HydrophobicContact CG1-CD2 4.43Å; V264-Y306 HydrophobicContact CG1-CE2 4.22Å; I265-Y306 PolarHBondContact O-N 2.94Å; Y266-Y306 AromaticContact CD1-CD2 3.62Å; Y266-Y306 HydrophobicContact CD1-CD2 3.62Å; Y266-Y306 HydrophobicContact CD1-CE2 4.48Å; Y266-Y306 AromaticContact CD1-CG 3.9Å; Y266-Y306 HydrophobicContact CD1-CG 3.9Å; Y266-Y306 AromaticContact CE1-CD2 3.24Å; Y266-Y306 HydrophobicContact CE1-CD2 3.24Å; Y266-Y306 AromaticContact CE1-CE2 3.68Å; Y266-Y306 HydrophobicContact CE1-CE2 3.68Å; Y266-Y306 AromaticContact CE1-CG 3.8Å; Y266-Y306 HydrophobicContact CE1-CG 3.8Å; Y266-Y306 HydrophobicContact CG-CD2 4.44Å; Y266-Y306 AromaticContact CZ-CD2 3.82Å; Y266-Y306 AromaticContact CZ-CE2 3.94Å; I267-Y306 PolarHBondContact N-O 3.15Å; V304-Y306 HydrophobicContact CB-CE2 4.35Å; V304-Y306 HydrophobicContact CG1-CD2 4.11Å; V304-Y306 HydrophobicContact CG1-CE2 3.33Å; Y306-Y346 AromaticContact CD1-CD2 3.68Å; Y306-Y346 HydrophobicContact CD1-CD2 3.68Å; Y306-Y346 AromaticContact CD1-CG 3.94Å; Y306-Y346 HydrophobicContact CD1-CG 3.94Å; Y306-Y346 AromaticContact CE1-CD2 3.26Å; Y306-Y346 HydrophobicContact CE1-CD2 3.26Å; Y306-Y346 AromaticContact CE1-CE2 3.76Å; Y306-Y346 HydrophobicContact CE1-CE2 3.76Å; Y306-Y346 AromaticContact CE1-CG 3.8Å; Y306-Y346 HydrophobicContact CE1-CG 3.8Å; Y306-Y346 AromaticContact CZ-CD2 3.83Å
307	I	56.9	Low	52.6	Low	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116	-178.7	-65.4	153	0	0	0	110.3	I267 L294 L297 I305 M309 L334 L337 I345 Y346 I347 T348	I267-I307 HydrophobicContact CB-CG1 4.26Å; I267-I307 HydrophobicContact CD1-CG1 3.95Å; L294-I307 HydrophobicContact CD1-CG2 4.3Å; L294-I307 HydrophobicContact CD2-CD1 4.09Å; L297-I307 HydrophobicContact CD1-CD1 3.72Å; I305-I307 HydrophobicContact CG2-CD1 3.77Å; I305-I307 HydrophobicContact CG2-CG1 3.79Å; I307-M309 HydrophobicContact CG2-CB 4.48Å; I307-M309 HydrophobicContact CG2-CE 4.18Å; I307-M309 HydrophobicContact CG2-CG 3.61Å; I307-M309 HydrophobicContact CG2-SD 4.47Å; I307-L334 HydrophobicContact CD1-CD2 4.44Å; I307-L337 HydrophobicContact CD1-CD1 4.42Å; I307-I345 HydrophobicContact CD1-CG2 4.01Å; I307-Y346 PolarHBondContact N-O 2.97Å; I307-I347 HydrophobicContact CD1-CG1 4.3Å; I307-I347 HydrophobicContact CG2-CG2 4.48Å; I307-T348 PolarHBondContact O-N 2.93Å
308	T	58.3	Low	50.7	Low	46 Å²	46	39.9 Å²	39.9	28%	0.282	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108	169.8	-63.1	0	0	0	0	109.8	I267 T268 M269 S271 S311 T348	I267-T308 PolarHBondContact O-N 2.99Å; T268-T308 WeakPolarHBondContact CA-O 3.27Å; M269-T308 PolarHBondContact N-O 2.92Å; S271-T308 PolarHBondContact OG-O 2.92Å; T308-S311 VanDerWaalsContact CG2-CB 3.49Å; T308-S311 VanDerWaalsContact CG2-OG 3.29Å; T308-S311 WeakPolarHBondContact CG2-OG 3.21Å; T308-T348 WeakPolarHBondContact CA-O 3.41Å
309	M	58.5	Low	49.2	Very low	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.9	-176.7	-76.9	-147.1	-70.9	0	0	114.2	M269 L294 I307 S311 L334 T348 M349 N350	M269-M309 HydrophobicContact CB-CG 4.02Å; M269-M309 HydrophobicContact CB-SD 4.31Å; M269-M309 HydrophobicContact CE-SD 4.19Å; M269-M309 WeakPolarHBondContact O-CA 3.3Å; M269-M309 HydrophobicContact SD-SD 3.86Å; L294-M309 HydrophobicContact CB-CE 3.91Å; L294-M309 HydrophobicContact CB-SD 3.89Å; L294-M309 HydrophobicContact CD1-SD 4.11Å; I307-M309 HydrophobicContact CG2-CB 4.48Å; I307-M309 HydrophobicContact CG2-CE 4.18Å; I307-M309 HydrophobicContact CG2-CG 3.61Å; I307-M309 HydrophobicContact CG2-SD 4.47Å; M309-S311 PolarHBondContact O-N 2.77Å; M309-S311 VanDerWaalsContact O-N 3.15Å; M309-S311 PolarHBondContact O-OG 3.22Å; M309-L334 HydrophobicContact CE-CD1 3.47Å; M309-L334 VanDerWaalsContact CE-CD1 3.47Å; M309-L334 HydrophobicContact CE-CD2 3.49Å; M309-L334 VanDerWaalsContact CE-CD2 3.49Å; M309-L334 HydrophobicContact CE-CG 3.2Å; M309-T348 PolarHBondContact N-O 3.23Å; M309-M349 HydrophobicContact CB-CG 4.41Å; M309-M349 HydrophobicContact CE-CG 4.42Å; M309-N350 PolarHBondContact O-N 2.93Å
310	N	58.1	Low	47.9	Very low	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	54.7	31.3	176.6	-66	-37.1	0	0	0	112.4	M269 N270 R290 R330 N331 N350	M269-N310 PolarHBondContact O-N 2.85Å; N270-N310 VanDerWaalsContact CB-OD1 3.23Å; N270-N310 WeakPolarHBondContact CB-OD1 3.45Å; N270-N310 PolarHBondContact ND2-OD1 3.13Å; R290-N310 WeakPolarHBondContact CB-OD1 3.25Å; N310-R330 HydrophobicContact CB-CB 4.47Å; N310-R330 WeakPolarHBondContact O-CD 3.34Å; N310-R330 PolarHBondContact O-NH1 3.11Å; N310-N331 PolarHBondContact ND2-O 2.93Å; N310-N350 VanDerWaalsContact CB-OD1 3.27Å; N310-N350 WeakPolarHBondContact CB-OD1 3.05Å
311	S	54.3	Low	46.5	Very low	8 Å²	8	44.6 Å²	44.6	6%	0.056	25%	0.246	C	C	.	.			trans	-91.7	152.3	-175.2	-58.4	0	0	0	0	111	S271 S272 R290 T308 M309 S351	S271-S311 VanDerWaalsContact CA-O 3.28Å; S271-S311 WeakPolarHBondContact CA-O 3.16Å; S272-S311 PolarHBondContact N-O 2.96Å; S272-S311 VanDerWaalsContact N-O 3.07Å; R290-S311 PolarHBondContact NH1-O 3.03Å; T308-S311 VanDerWaalsContact CG2-CB 3.49Å; T308-S311 VanDerWaalsContact CG2-OG 3.29Å; T308-S311 WeakPolarHBondContact CG2-OG 3.21Å; M309-S311 PolarHBondContact O-N 2.77Å; M309-S311 VanDerWaalsContact O-N 3.15Å; M309-S311 PolarHBondContact O-OG 3.22Å; S311-S351 WeakPolarHBondContact CA-O 3.08Å; S311-S351 VanDerWaalsContact CB-OG 3.26Å; S311-S351 WeakPolarHBondContact CB-OG 3.33Å; S311-S351 PolarHBondContact OG-OG 2.73Å
312	S	51	Low	45	Very low	8 Å²	8	45.1 Å²	45.1	6%	0.056	26%	0.255	C	S	.	.			trans	-153	117.8	173.1	59.3	0	0	0	0	113.7	S272 L326 R330 S351 S352 G353	S272-S312 WeakPolarHBondContact O-CA 3.33Å; S272-S312 WeakPolarHBondContact O-CB 2.93Å; S312-L326 WeakPolarHBondContact OG-CD1 3.14Å; S312-R330 PolarHBondContact OG-NH1 2.77Å; S312-R330 PolarHBondContact OG-NH2 2.98Å; S312-S351 PolarHBondContact N-O 2.92Å; S312-S352 WeakPolarHBondContact O-CA 3.32Å; S312-G353 PolarHBondContact O-N 3.06Å
313	G	47.8	Very low	44.1	Very low	23 Å²	23	44.3 Å²	44.3	24%	0.237	24%	0.243	C	C	.	.			trans	176.6	156.2	176.8	0	0	0	0	0	109.5	S272 G273	S272-G313 PolarHBondContact O-N 2.94Å; G273-G313 WeakPolarHBondContact CA-O 3.29Å
314	P	39.5	Very low	42.8	Very low	31 Å²	31	45 Å²	45	20%	0.201	25%	0.247	C	C	.	.			trans	-71.7	140.8	171.5	30	-31.7	0	0	0	110.8	P274 P354	P274-P314 HydrophobicContact CG-CB 4.01Å; P274-P314 WeakPolarHBondContact O-CA 3.11Å; P314-P354 HydrophobicContact CG-CB 4.3Å; P314-P354 WeakPolarHBondContact O-CA 2.93Å
315	N	35.6	Very low	41.6	Very low	86 Å²	86	45.4 Å²	45.4	46%	0.46	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-87.1	99	158.7	-73	-25.2	0	0	0	105.8	P274 N275	P274-N315 PolarHBondContact O-N 2.77Å; N275-N315 PolarHBondContact OD1-ND2 2.96Å
316	S	27.9	Very low	40.5	Very low	26 Å²	26	45.6 Å²	45.6	18%	0.182	25%	0.252	C	S	.	.			trans	-156.7	125.2	180	62.8	0	0	0	0	112.3	S276 S356	S276-S316 WeakPolarHBondContact O-CB 3.34Å; S316-S356 PolarHBondContact O-OG 2.87Å; S316-S356 VanDerWaalsContact O-OG 3.05Å
317	H	23.5	Very low	39.6	Very low	119 Å²	119	44.1 Å²	44.1	55%	0.551	25%	0.254	S	S	*	.			trans	-78	147.7	164.7	-70.7	-94.7	0	0	0	110.3
318	H	22.4	Very low	39.1	Very low	140 Å²	140	45.3 Å²	45.3	65%	0.648	27%	0.267	S	S	*	.	S	Bend	trans	75.8	122.3	171.2	-81	-95.5	0	0	0	120.3
319	L	27.7	Very low	38.8	Very low	101 Å²	101	49.6 Å²	49.6	53%	0.529	28%	0.278	S	S	.	.	S	Bend	trans	82	159.7	151	-67.4	169.1	0	0	0	118.1	F321	L319-F321 VanDerWaalsContact O-CD2 3.25Å; L319-F321 WeakPolarHBondContact O-CD2 3.26Å; L319-F321 WeakPolarHBondContact O-CE2 3.17Å; L319-F321 PolarHBondContact O-N 3.02Å
320	P	28.9	Very low	38.5	Very low	69 Å²	69	50.3 Å²	50.3	45%	0.448	28%	0.28	S	S	.	.			trans	-86.1	111	-131.6	34.3	-36.6	0	0	0	113.8	F361	P320-F361 VanDerWaalsContact CA-CZ 3.44Å; P320-F361 HydrophobicContact CB-CD1 4.3Å; P320-F361 HydrophobicContact CB-CE1 3.32Å; P320-F361 HydrophobicContact CB-CE2 3.79Å; P320-F361 HydrophobicContact CB-CZ 3.04Å; P320-F361 HydrophobicContact CG-CZ 4.49Å
321	F	31.6	Very low	38.4	Very low	58 Å²	58	52.5 Å²	52.5	25%	0.254	29%	0.292	S	S	.	.			trans	-135.8	139.2	176.9	-65.1	-63.5	0	0	0	115.2	R280 Y281 L319	R280-F321 VanDerWaalsContact CA-CE1 3.44Å; R280-F321 HydrophobicContact CB-CE1 4.41Å; R280-F321 HydrophobicContact CB-CZ 4.25Å; R280-F321 HydrophobicContact CG-CE1 4.32Å; R280-F321 HydrophobicContact CG-CZ 4.14Å; Y281-F321 HydrophobicContact CD2-CD2 4.28Å; Y281-F321 HydrophobicContact CD2-CE2 4.09Å; Y281-F321 WeakPolarHBondContact O-CD1 3.25Å; Y281-F321 WeakPolarHBondContact O-CE1 3.3Å; L319-F321 VanDerWaalsContact O-CD2 3.25Å; L319-F321 WeakPolarHBondContact O-CD2 3.26Å; L319-F321 WeakPolarHBondContact O-CE2 3.17Å; L319-F321 PolarHBondContact O-N 3.02Å
322	S	30.4	Very low	38.5	Very low	70 Å²	70	52.3 Å²	52.3	49%	0.49	29%	0.292	S	S	.	.			trans	-76.7	126.6	159.6	-59.4	0	0	0	0	108.1	P283	P283-S322 WeakPolarHBondContact CB-O 3.37Å; P283-S322 WeakPolarHBondContact CG-O 3.32Å
323	P	35.2	Very low	38.8	Very low	21 Å²	21	53.9 Å²	53.9	14%	0.136	30%	0.303	C	S	.	.			trans	-72.5	174.9	177.5	-13.3	29.2	0	0	0	111.5	S362 P364	P323-S362 WeakPolarHBondContact CD-O 2.95Å; P323-P364 VanDerWaalsContact C-CB 3.48Å; P323-P364 HydrophobicContact CB-CB 3.97Å; P323-P364 HydrophobicContact CB-CG 3.72Å; P323-P364 HydrophobicContact CG-CG 4.36Å; P323-P364 WeakPolarHBondContact O-CB 3.4Å
324	P	33.5	Very low	39.3	Very low	15 Å²	15	52.8 Å²	52.8	10%	0.097	29%	0.291	C	S	.	.			trans	-83.9	141.9	-168.2	8.8	-3.5	0	0	0	114.8	P283 T284 L326 P364	P283-P324 VanDerWaalsContact CB-CA 3.41Å; P283-P324 HydrophobicContact CB-CB 3.55Å; P283-P324 VanDerWaalsContact CB-CD 3.45Å; P283-P324 HydrophobicContact CB-CG 3.63Å; P283-P324 HydrophobicContact CG-CB 4.1Å; T284-P324 WeakPolarHBondContact O-CB 3.27Å; T284-P324 VanDerWaalsContact O-CG 3.24Å; T284-P324 WeakPolarHBondContact O-CG 3.39Å; P324-L326 HydrophobicContact CG-CD2 4.43Å; P324-L326 WeakPolarHBondContact O-CG 3.37Å; P324-L326 PolarHBondContact O-N 3.02Å; P324-P364 WeakPolarHBondContact O-CB 3.39Å
325	P	35.6	Very low	40.2	Very low	43 Å²	43	53.4 Å²	53.4	28%	0.279	30%	0.296	S	S	.	.			trans	-53.4	120.2	168.9	-16.5	26.1	0	0	0	110.4	R285 L286 P365	R285-P325 HydrophobicContact CG-CB 4.5Å; R285-P325 HydrophobicContact CG-CG 4.21Å; L286-P325 PolarHBondContact N-O 2.99Å; P325-P365 VanDerWaalsContact CA-O 3.23Å; P325-P365 WeakPolarHBondContact CA-O 3.39Å; P325-P365 HydrophobicContact CB-CG 3.99Å; P325-P365 HydrophobicContact CG-CG 4.03Å
326	L	35.5	Very low	41	Very low	7 Å²	7	50.7 Å²	50.7	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.8	177.5	-54.1	179.5	0	0	0	108.3	L286 S312 P324 P365 L366 S367	L286-L326 HydrophobicContact CB-CD2 3.59Å; L286-L326 HydrophobicContact CD1-CD2 3.44Å; L286-L326 VanDerWaalsContact CD1-CD2 3.44Å; L286-L326 HydrophobicContact CG-CD2 3.7Å; S312-L326 WeakPolarHBondContact OG-CD1 3.14Å; P324-L326 HydrophobicContact CG-CD2 4.43Å; P324-L326 WeakPolarHBondContact O-CG 3.37Å; P324-L326 PolarHBondContact O-N 3.02Å; L326-P365 PolarHBondContact N-O 3.22Å; L326-P365 VanDerWaalsContact N-O 3.14Å; L326-L366 HydrophobicContact CB-CD2 3.58Å; L326-L366 HydrophobicContact CD1-CD2 3.46Å; L326-L366 VanDerWaalsContact CD1-CD2 3.46Å; L326-L366 HydrophobicContact CG-CD2 3.65Å; L326-L366 WeakPolarHBondContact O-CA 3.12Å; L326-S367 PolarHBondContact O-N 2.9Å
327	S	40.3	Very low	42.5	Very low	54 Å²	54	49.6 Å²	49.6	38%	0.378	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.9	176.2	63.7	0	0	0	0	111.4	L286 S287 G288 S367	L286-S327 PolarHBondContact O-N 2.97Å; S287-S327 CarbonylContact C-O 3.46Å; S287-S327 VanDerWaalsContact CA-O 3.23Å; S287-S327 WeakPolarHBondContact CA-O 3.34Å; S287-S327 VanDerWaalsContact CB-OG 3.31Å; S287-S327 WeakPolarHBondContact CB-OG 3.48Å; G288-S327 PolarHBondContact N-O 3Å; G288-S327 VanDerWaalsContact N-O 3.07Å; S327-S367 CarbonylContact C-O 3.57Å; S327-S367 VanDerWaalsContact CA-O 3.25Å; S327-S367 WeakPolarHBondContact CA-O 3.31Å; S327-S367 VanDerWaalsContact CB-OG 3.31Å; S327-S367 WeakPolarHBondContact CB-OG 3.25Å
328	G	44.6	Very low	44.1	Very low	27 Å²	27	46.1 Å²	46.1	28%	0.278	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	132.4	-175	169.1	0	0	0	0	0	116.4	G288 S367 G368	G288-G328 CarbonylContact O-C 3.46Å; G288-G328 VanDerWaalsContact O-CA 3.32Å; G288-G328 WeakPolarHBondContact O-CA 3.45Å; G328-S367 PolarHBondContact N-O 2.86Å; G328-G368 WeakPolarHBondContact O-CA 3.37Å
329	R	52.4	Low	45.6	Very low	136 Å²	136	40 Å²	40	51%	0.513	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.2	-176.7	-67.8	-170.6	-175.3	-154.6	5.9	110.5	G288 R289 R290 R369	G288-R329 PolarHBondContact O-N 3.2Å; R289-R329 CarbonylContact C-O 3.56Å; R289-R329 VanDerWaalsContact CA-O 3.28Å; R289-R329 WeakPolarHBondContact CA-O 3.47Å; R289-R329 HydrophobicContact CG-CB 4.26Å; R290-R329 PolarHBondContact N-O 2.9Å; R329-R369 VanDerWaalsContact CA-O 3.3Å; R329-R369 WeakPolarHBondContact CA-O 3.49Å; R329-R369 HydrophobicContact CG-CB 4.38Å
330	R	52.4	Low	47.1	Very low	14 Å²	14	39 Å²	39	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.1	172.6	-59.5	-175	-177.5	-173	2.1	108.7	R290 N310 S312 N350 S351 R369 R370 N371	R290-R330 HydrophobicContact CB-CG 4.37Å; R290-R330 CarbonylContact O-C 3.54Å; R290-R330 WeakPolarHBondContact O-CA 3.29Å; N310-R330 HydrophobicContact CB-CB 4.47Å; N310-R330 WeakPolarHBondContact O-CD 3.34Å; N310-R330 PolarHBondContact O-NH1 3.11Å; S312-R330 PolarHBondContact OG-NH1 2.77Å; S312-R330 PolarHBondContact OG-NH2 2.98Å; R330-N350 WeakPolarHBondContact CB-OD1 3.29Å; R330-S351 PolarHBondContact NH1-O 2.93Å; R330-R369 PolarHBondContact N-O 3Å; R330-R370 HydrophobicContact CB-CG 4.28Å; R330-R370 CarbonylContact O-C 3.56Å; R330-R370 VanDerWaalsContact O-CA 3.3Å; R330-R370 WeakPolarHBondContact O-CA 3.5Å; R330-N371 PolarHBondContact O-N 2.95Å
331	N	55.7	Low	48.5	Very low	46 Å²	46	38.7 Å²	38.7	25%	0.246	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120	174.1	-66.8	-1.4	0	0	0	107.7	R290 N291 G292 N310 N371	R290-N331 PolarHBondContact O-N 2.96Å; N291-N331 CarbonylContact C-O 3.47Å; N291-N331 VanDerWaalsContact CA-O 3.24Å; N291-N331 WeakPolarHBondContact CA-O 3.1Å; G292-N331 PolarHBondContact N-O 2.92Å; N310-N331 PolarHBondContact ND2-O 2.93Å; N331-N371 CarbonylContact C-O 3.55Å; N331-N371 VanDerWaalsContact CA-O 3.26Å; N331-N371 WeakPolarHBondContact CA-O 3.33Å
332	G	56.7	Low	49.5	Very low	5 Å²	5	38.2 Å²	38.2	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132	172	0	0	0	0	0	109.4	G292 N371 G372 S373	G292-G332 CarbonylContact O-C 3.43Å; G292-G332 VanDerWaalsContact O-CA 3.3Å; G292-G332 WeakPolarHBondContact O-CA 3.48Å; G332-N371 PolarHBondContact N-O 3.19Å; G332-G372 CarbonylContact O-C 3.5Å; G332-G372 VanDerWaalsContact O-CA 3.25Å; G332-G372 WeakPolarHBondContact O-CA 3.3Å; G332-S373 PolarHBondContact O-N 2.94Å
333	S	58.5	Low	50.8	Low	41 Å²	41	35.5 Å²	35.5	29%	0.287	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.9	166.7	58.5	0	0	0	0	109	G292 S293 L294 S373	G292-S333 PolarHBondContact O-N 3.42Å; S293-S333 CarbonylContact C-O 3.56Å; S293-S333 WeakPolarHBondContact CA-O 3.29Å; S293-S333 WeakPolarHBondContact CB-OG 3.45Å; L294-S333 PolarHBondContact N-O 2.96Å; S333-S373 WeakPolarHBondContact CA-O 3.29Å; S333-S373 WeakPolarHBondContact CB-OG 3.34Å
334	L	56.3	Low	51.8	Low	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.4	170.4	-85.2	155.6	0	0	0	107.8	L294 I307 M309 L337 I347 M349 S373 L374 S375	L294-L334 HydrophobicContact CB-CD2 3.74Å; L294-L334 HydrophobicContact CB-CG 4.49Å; L294-L334 HydrophobicContact CD2-CD2 3.3Å; L294-L334 HydrophobicContact CG-CD2 4.04Å; L294-L334 VanDerWaalsContact O-CA 3.32Å; L294-L334 WeakPolarHBondContact O-CA 3.18Å; I307-L334 HydrophobicContact CD1-CD2 4.44Å; M309-L334 HydrophobicContact CE-CD1 3.47Å; M309-L334 VanDerWaalsContact CE-CD1 3.47Å; M309-L334 HydrophobicContact CE-CD2 3.49Å; M309-L334 VanDerWaalsContact CE-CD2 3.49Å; M309-L334 HydrophobicContact CE-CG 3.2Å; L334-L337 HydrophobicContact CD2-CD1 4.34Å; L334-L337 HydrophobicContact CD2-CD2 4.47Å; L334-I347 HydrophobicContact CD1-CD1 4.15Å; L334-I347 HydrophobicContact CD1-CG2 3.49Å; L334-I347 VanDerWaalsContact CD1-CG2 3.49Å; L334-M349 HydrophobicContact CD1-CE 3.62Å; L334-M349 HydrophobicContact CD1-CG 3.75Å; L334-M349 HydrophobicContact CD1-SD 3.42Å; L334-M349 WeakPolarHBondContact CD1-SD 3.48Å; L334-M349 HydrophobicContact CG-SD 4.34Å; L334-S373 PolarHBondContact N-O 3.22Å; L334-L374 HydrophobicContact CB-CD1 3.24Å; L334-L374 HydrophobicContact CD1-CD1 3.69Å; L334-L374 HydrophobicContact CG-CD1 4.07Å; L334-L374 WeakPolarHBondContact O-CA 3.49Å; L334-S375 PolarHBondContact O-N 2.72Å
335	S	58.9	Low	53	Low	43 Å²	43	35.7 Å²	35.7	30%	0.301	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.8	-178.6	57.2	0	0	0	0	114.1	L294 S295 G296 S375	L294-S335 PolarHBondContact O-N 2.93Å; S295-S335 CarbonylContact C-O 3.57Å; S295-S335 WeakPolarHBondContact CA-O 3.38Å; S295-S335 WeakPolarHBondContact CB-O 3.19Å; S295-S335 WeakPolarHBondContact CB-OG 3.22Å; G296-S335 PolarHBondContact N-O 3.16Å; S335-S375 WeakPolarHBondContact CA-O 3.47Å
336	G	52.1	Low	53.9	Low	30 Å²	30	37.8 Å²	37.8	31%	0.309	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.3	54.4	175.8	0	0	0	0	0	111.4	G296 L297 S375 G376	G296-G336 CarbonylContact C-O 3.58Å; G296-G336 WeakPolarHBondContact CA-O 3.44Å; G296-G336 PolarHBondContact N-O 3.03Å; L297-G336 PolarHBondContact N-O 3.43Å; G336-S375 PolarHBondContact N-O 3.18Å; G336-G376 CarbonylContact C-O 3.4Å; G336-G376 WeakPolarHBondContact CA-O 3.34Å; G336-G376 PolarHBondContact N-O 2.99Å
337	L	59.2	Low	54.8	Low	2 Å²	2	37.6 Å²	37.6	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	109.4	162.2	-43.5	-176.1	0	0	0	105.6	L294 L297 I307 L334 I345 I347 G376 L377 S378	L294-L337 HydrophobicContact CD2-CD2 3.94Å; L297-L337 HydrophobicContact CB-CD2 3.63Å; L297-L337 HydrophobicContact CD1-CD2 3.6Å; L297-L337 HydrophobicContact CG-CD2 3.46Å; L297-L337 VanDerWaalsContact CG-CD2 3.46Å; L297-L337 CarbonylContact O-C 3.53Å; L297-L337 VanDerWaalsContact O-CA 3.3Å; L297-L337 WeakPolarHBondContact O-CA 3.28Å; I307-L337 HydrophobicContact CD1-CD1 4.42Å; L334-L337 HydrophobicContact CD2-CD1 4.34Å; L334-L337 HydrophobicContact CD2-CD2 4.47Å; L337-I345 HydrophobicContact CB-CD1 3.98Å; L337-I345 HydrophobicContact CD1-CD1 4.12Å; L337-I345 HydrophobicContact CD1-CG2 4.16Å; L337-I347 HydrophobicContact CD1-CD1 3.71Å; L337-G376 PolarHBondContact N-O 2.69Å; L337-L377 HydrophobicContact CB-CD2 3.52Å; L337-L377 HydrophobicContact CD1-CD2 3.43Å; L337-L377 VanDerWaalsContact CD1-CD2 3.43Å; L337-L377 HydrophobicContact CG-CD2 3.3Å; L337-L377 CarbonylContact O-C 3.44Å; L337-L377 WeakPolarHBondContact O-CA 3.38Å; L337-S378 PolarHBondContact O-N 3.45Å
338	S	57.2	Low	55.6	Low	47 Å²	47	36.6 Å²	36.6	33%	0.329	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.7	179.7	56.5	0	0	0	0	109.6	L297 S298 G299 S378	L297-S338 PolarHBondContact O-N 3.07Å; S298-S338 VanDerWaalsContact CA-O 3.27Å; S298-S338 WeakPolarHBondContact CA-O 3.28Å; S298-S338 WeakPolarHBondContact CB-OG 3.47Å; G299-S338 PolarHBondContact N-O 2.81Å; S338-S378 CarbonylContact C-O 3.4Å; S338-S378 VanDerWaalsContact CA-O 3.25Å; S338-S378 WeakPolarHBondContact CA-O 3.28Å
339	G	54.1	Low	56.1	Low	11 Å²	11	35.7 Å²	35.7	11%	0.113	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	137.1	179	0	0	0	0	0	114.3	G299 S378 G379 E380	G299-G339 WeakPolarHBondContact O-CA 3.3Å; G339-S378 PolarHBondContact N-O 2.79Å; G339-G379 CarbonylContact O-C 3.47Å; G339-G379 WeakPolarHBondContact O-CA 3.4Å; G339-E380 PolarHBondContact O-N 2.72Å
340	E	60.6	Low	56.2	Low	81 Å²	81	30 Å²	30	38%	0.379	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-94.9	178.3	-60.9	-176.3	174.2	0	0	111.7	G299 Q343 N381	G299-E340 PolarHBondContact O-N 3.44Å; E340-Q343 VanDerWaalsContact N-NE2 3.15Å; E340-N381 CarbonylContact O-C 3.57Å; E340-N381 PolarHBondContact O-N 3.14Å
341	N	58.1	Low	56.1	Low	62 Å²	62	29.7 Å²	29.7	33%	0.332	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.7	-168.1	-59.6	-44.2	0	0	0	113.1	E300 N301 G302 Q343 N381	E300-N341 PolarHBondContact O-N 3.4Å; N301-N341 CarbonylContact C-O 3.55Å; N301-N341 WeakPolarHBondContact CA-O 3.35Å; N301-N341 WeakPolarHBondContact OD1-CB 3.12Å; N301-N341 PolarHBondContact OD1-ND2 2.88Å; G302-N341 PolarHBondContact N-O 2.83Å; N341-Q343 PolarHBondContact O-N 3.42Å; N341-N381 CarbonylContact C-O 3.57Å; N341-N381 VanDerWaalsContact CA-O 3.24Å; N341-N381 WeakPolarHBondContact CA-O 3.31Å; N341-N381 WeakPolarHBondContact OD1-CB 3.49Å; N341-N381 PolarHBondContact OD1-ND2 2.88Å
342	G	51.4	Low	55.7	Low	47 Å²	47	27.5 Å²	27.5	49%	0.485	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.3	10.2	168.9	0	0	0	0	0	115.5	N381	G342-N381 PolarHBondContact N-O 3.15Å
343	Q	57.9	Low	55.2	Low	13 Å²	13	27.7 Å²	27.7	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.7	-179.2	-73.8	178.7	39.5	0	0	112.9	G299 E300 Q303 E340 N341 Q383	G299-Q343 VanDerWaalsContact CA-NE2 3.28Å; G299-Q343 PolarHBondContact O-NE2 3.46Å; E300-Q343 PolarHBondContact O-NE2 2.81Å; Q303-Q343 HydrophobicContact CB-CG 4.09Å; Q303-Q343 WeakPolarHBondContact O-CA 3.45Å; E340-Q343 VanDerWaalsContact N-NE2 3.15Å; N341-Q343 PolarHBondContact O-N 3.42Å; Q343-Q383 PolarHBondContact O-N 3.21Å
344	V	57.7	Low	54.1	Low	27 Å²	27	28.4 Å²	28.4	16%	0.164	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.5	176.9	-168.6	0	0	0	0	110	Q303 V304 I305 Y346 Q383	Q303-V344 PolarHBondContact O-N 2.99Å; V304-V344 WeakPolarHBondContact CA-O 3.09Å; I305-V344 PolarHBondContact N-O 2.81Å; V344-Y346 HydrophobicContact CB-CE2 4.21Å; V344-Y346 HydrophobicContact CG1-CD2 3.97Å; V344-Y346 HydrophobicContact CG1-CE1 4.38Å; V344-Y346 HydrophobicContact CG1-CE2 3.27Å; V344-Q383 WeakPolarHBondContact CA-O 3.42Å
345	I	56.6	Low	53	Low	14 Å²	14	33 Å²	33	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.9	179.8	-50.1	178.5	0	0	0	109.1	I305 I307 L337 I347 L384 H385	I305-I345 HydrophobicContact CB-CG1 4.36Å; I305-I345 HydrophobicContact CB-CG2 4.27Å; I305-I345 HydrophobicContact CD1-CG1 4.49Å; I305-I345 HydrophobicContact CG2-CG2 4.49Å; I305-I345 CarbonylContact O-C 3.59Å; I305-I345 WeakPolarHBondContact O-CA 3.37Å; I307-I345 HydrophobicContact CD1-CG2 4.01Å; L337-I345 HydrophobicContact CB-CD1 3.98Å; L337-I345 HydrophobicContact CD1-CD1 4.12Å; L337-I345 HydrophobicContact CD1-CG2 4.16Å; I345-I347 HydrophobicContact CG2-CD1 3.94Å; I345-I347 HydrophobicContact CG2-CG1 3.62Å; I345-L384 HydrophobicContact CB-CD1 3.93Å; I345-L384 HydrophobicContact CD1-CD1 4.43Å; I345-H385 CarbonylContact O-C 3.52Å; I345-H385 PolarHBondContact O-N 2.93Å
346	Y	56.5	Low	51.4	Low	87 Å²	87	33 Å²	33	34%	0.341	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.4	173.5	-65	-84.3	0	0	0	110.3	V304 I305 Y306 I307 V344 H385	V304-Y346 HydrophobicContact CG1-CD2 4.33Å; V304-Y346 HydrophobicContact CG1-CE2 4.18Å; I305-Y346 PolarHBondContact O-N 3.06Å; Y306-Y346 AromaticContact CD1-CD2 3.68Å; Y306-Y346 HydrophobicContact CD1-CD2 3.68Å; Y306-Y346 AromaticContact CD1-CG 3.94Å; Y306-Y346 HydrophobicContact CD1-CG 3.94Å; Y306-Y346 AromaticContact CE1-CD2 3.26Å; Y306-Y346 HydrophobicContact CE1-CD2 3.26Å; Y306-Y346 AromaticContact CE1-CE2 3.76Å; Y306-Y346 HydrophobicContact CE1-CE2 3.76Å; Y306-Y346 AromaticContact CE1-CG 3.8Å; Y306-Y346 HydrophobicContact CE1-CG 3.8Å; Y306-Y346 AromaticContact CZ-CD2 3.83Å; I307-Y346 PolarHBondContact N-O 2.97Å; V344-Y346 HydrophobicContact CB-CE2 4.21Å; V344-Y346 HydrophobicContact CG1-CD2 3.97Å; V344-Y346 HydrophobicContact CG1-CE1 4.38Å; V344-Y346 HydrophobicContact CG1-CE2 3.27Å; Y346-H385 WeakPolarHBondContact CA-O 3.46Å; Y346-H385 HydrophobicContact CD1-CB 4.07Å; Y346-H385 AromaticContact CD1-ND1 3.67Å; Y346-H385 HydrophobicContact CE1-CB 4.05Å; Y346-H385 AromaticContact CE1-ND1 3.45Å; Y346-H385 WeakPolarHBondContact CE1-ND1 3.32Å
347	I	54	Low	50.1	Low	2 Å²	2	39.9 Å²	39.9	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.5	-177.2	-51.2	-179.4	0	0	0	110.1	I307 L334 L337 I345 M349 L374 H385 I386 T387	I307-I347 HydrophobicContact CD1-CG1 4.3Å; I307-I347 HydrophobicContact CG2-CG2 4.48Å; L334-I347 HydrophobicContact CD1-CD1 4.15Å; L334-I347 HydrophobicContact CD1-CG2 3.49Å; L334-I347 VanDerWaalsContact CD1-CG2 3.49Å; L337-I347 HydrophobicContact CD1-CD1 3.71Å; I345-I347 HydrophobicContact CG2-CD1 3.94Å; I345-I347 HydrophobicContact CG2-CG1 3.62Å; I347-M349 HydrophobicContact CG2-CE 4.28Å; I347-M349 HydrophobicContact CG2-CG 3.84Å; I347-L374 HydrophobicContact CD1-CD1 4.24Å; I347-H385 PolarHBondContact N-O 2.9Å; I347-I386 HydrophobicContact CD1-CG1 4.4Å; I347-T387 CarbonylContact O-C 3.44Å; I347-T387 PolarHBondContact O-N 2.92Å
348	T	55.6	Low	48.3	Very low	34 Å²	34	48.4 Å²	48.4	21%	0.209	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	107.5	166	-63.3	0	0	0	0	109.9	I307 T308 M309 S351	I307-T348 PolarHBondContact O-N 2.93Å; T308-T348 WeakPolarHBondContact CA-O 3.41Å; M309-T348 PolarHBondContact N-O 3.23Å; T348-S351 VanDerWaalsContact CG2-OG 3.31Å; T348-S351 WeakPolarHBondContact CG2-OG 3.42Å
349	M	56.1	Low	46.7	Very low	7 Å²	7	52.1 Å²	52.1	3%	0.034	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.1	179.6	-89.8	-161.7	-75.3	0	0	113	M309 L334 I347 S351 L374	M309-M349 HydrophobicContact CB-CG 4.41Å; M309-M349 HydrophobicContact CE-CG 4.42Å; L334-M349 HydrophobicContact CD1-CE 3.62Å; L334-M349 HydrophobicContact CD1-CG 3.75Å; L334-M349 HydrophobicContact CD1-SD 3.42Å; L334-M349 WeakPolarHBondContact CD1-SD 3.48Å; L334-M349 HydrophobicContact CG-SD 4.34Å; I347-M349 HydrophobicContact CG2-CE 4.28Å; I347-M349 HydrophobicContact CG2-CG 3.84Å; M349-S351 PolarHBondContact O-N 3.23Å; M349-L374 HydrophobicContact CE-CB 4.29Å; M349-L374 HydrophobicContact CE-CD1 4.19Å; M349-L374 HydrophobicContact CE-CD2 4.44Å
350	N	54.8	Low	45.4	Very low	16 Å²	16	57.1 Å²	57.1	9%	0.086	31%	0.312	C	S	.	.	S	Bend	trans	53.9	31.9	168.2	-69.9	-45.4	0	0	0	112.8	M309 N310 R330 R370	M309-N350 PolarHBondContact O-N 2.93Å; N310-N350 VanDerWaalsContact CB-OD1 3.27Å; N310-N350 WeakPolarHBondContact CB-OD1 3.05Å; R330-N350 WeakPolarHBondContact CB-OD1 3.29Å; N350-R370 PolarHBondContact O-NH1 2.8Å
351	S	50.1	Low	43.9	Very low	9 Å²	9	57.9 Å²	57.9	6%	0.063	32%	0.315	C	S	.	.			trans	-80.7	152.4	-178.9	68.9	0	0	0	0	111.2	S311 S312 R330 T348 M349 N389	S311-S351 WeakPolarHBondContact CA-O 3.08Å; S311-S351 VanDerWaalsContact CB-OG 3.26Å; S311-S351 WeakPolarHBondContact CB-OG 3.33Å; S311-S351 PolarHBondContact OG-OG 2.73Å; S312-S351 PolarHBondContact N-O 2.92Å; R330-S351 PolarHBondContact NH1-O 2.93Å; T348-S351 VanDerWaalsContact CG2-OG 3.31Å; T348-S351 WeakPolarHBondContact CG2-OG 3.42Å; M349-S351 PolarHBondContact O-N 3.23Å; S351-N389 WeakPolarHBondContact CA-O 3.39Å
352	S	48.1	Very low	42.6	Very low	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.316	C	S	.	.			trans	-153.7	103.2	171.8	52.2	0	0	0	0	112.7	S312 R370 F391	S312-S352 WeakPolarHBondContact O-CA 3.32Å; S352-R370 PolarHBondContact OG-NH1 3Å; S352-R370 PolarHBondContact OG-NH2 3.46Å; S352-F391 VanDerWaalsContact O-CB 3.24Å; S352-F391 WeakPolarHBondContact O-CB 3.3Å; S352-F391 WeakPolarHBondContact O-CD2 2.94Å; S352-F391 WeakPolarHBondContact O-CG 3.13Å
353	G	45	Very low	41.7	Very low	9 Å²	9	56.7 Å²	56.7	9%	0.093	30%	0.303	C	S	.	.	S	Bend	trans	167.6	159.7	-178.7	0	0	0	0	0	109.2	S312	S312-G353 PolarHBondContact O-N 3.06Å
354	P	36.4	Very low	40.5	Very low	56 Å²	56	56.2 Å²	56.2	36%	0.364	30%	0.301	S	S	.	.			trans	-64.7	135.7	169.9	27.1	-31	0	0	0	110.2	P314 S356	P314-P354 HydrophobicContact CG-CB 4.3Å; P314-P354 WeakPolarHBondContact O-CA 2.93Å; P354-S356 VanDerWaalsContact C-N 3.33Å; P354-S356 PolarHBondContact O-N 3.44Å
355	N	33	Very low	39.4	Very low	97 Å²	97	57.4 Å²	57.4	52%	0.519	31%	0.309	S	S	.	.	S	Bend	trans	-80.7	83.5	165	-74.6	-18.4	0	0	0	107.2
356	S	25.8	Very low	38.3	Very low	42 Å²	42	56.9 Å²	56.9	29%	0.294	31%	0.307	S	S	.	.			trans	-172.8	145.2	157.2	35.8	0	0	0	0	112.2	S316 P354	S316-S356 PolarHBondContact O-OG 2.87Å; S316-S356 VanDerWaalsContact O-OG 3.05Å; P354-S356 VanDerWaalsContact C-N 3.33Å; P354-S356 PolarHBondContact O-N 3.44Å
357	H	22.9	Very low	37.4	Very low	175 Å²	175	55.8 Å²	55.8	81%	0.81	31%	0.311	S	S	*	.			trans	-67.6	158.3	-178.5	-65.3	-94.7	0	0	0	112.5
358	H	21.9	Very low	36.6	Very low	180 Å²	180	56.9 Å²	56.9	83%	0.833	32%	0.323	S	S	*	.			trans	67.3	97	170.7	-83.7	-98.6	0	0	0	116.4
359	L	24.9	Very low	36.2	Very low	125 Å²	125	59.8 Å²	59.8	65%	0.654	33%	0.33	S	S	*	.				155.5	148.9	128.8	-79.5	161.6	0	0	0	111.2	F361	L359-F361 HydrophobicContact CB-CD2 4.33Å; L359-F361 HydrophobicContact CB-CE2 3.97Å; L359-F361 PolarHBondContact O-N 3.21Å
360	P	25.8	Very low	35.9	Very low	116 Å²	116	60.4 Å²	60.4	75%	0.753	33%	0.332	S	S	*	.			trans	-81.4	93.3	-164.6	33	-33.5	0	0	0	111.4
361	F	29.8	Very low	35.5	Very low	98 Å²	98	62 Å²	62	43%	0.43	34%	0.341	S	S	.	.			trans	-119.6	156.8	172.7	-72.1	-71.2	0	0	0	112.4	P320 L359 P363	P320-F361 VanDerWaalsContact CA-CZ 3.44Å; P320-F361 HydrophobicContact CB-CD1 4.3Å; P320-F361 HydrophobicContact CB-CE1 3.32Å; P320-F361 HydrophobicContact CB-CE2 3.79Å; P320-F361 HydrophobicContact CB-CZ 3.04Å; P320-F361 HydrophobicContact CG-CZ 4.49Å; L359-F361 HydrophobicContact CB-CD2 4.33Å; L359-F361 HydrophobicContact CB-CE2 3.97Å; L359-F361 PolarHBondContact O-N 3.21Å; F361-P363 WeakPolarHBondContact O-CD 3.05Å
362	S	29.4	Very low	35.5	Very low	52 Å²	52	62.4 Å²	62.4	36%	0.364	35%	0.346	S	S	.	.			trans	-79.3	111.6	175.6	-61.5	0	0	0	0	110.7	P323	P323-S362 WeakPolarHBondContact CD-O 2.95Å
363	P	33.8	Very low	35.6	Very low	32 Å²	32	64.6 Å²	64.6	21%	0.208	36%	0.362	C	S	.	.			trans	-50.2	162.6	166	-19.8	4.2	0	0	0	114.6	F361 T393 S423	F361-P363 WeakPolarHBondContact O-CD 3.05Å; P363-T393 HydrophobicContact CB-CG2 3.6Å; P363-T393 HydrophobicContact CG-CG2 4.28Å; P363-T393 WeakPolarHBondContact O-CG2 3.13Å; P363-S423 VanDerWaalsContact CB-OG 3.27Å; P363-S423 WeakPolarHBondContact CB-OG 3.24Å; P363-S423 WeakPolarHBondContact CD-OG 3.37Å; P363-S423 WeakPolarHBondContact CG-OG 3.3Å
364	P	32.8	Very low	35.9	Very low	2 Å²	2	64.2 Å²	64.2	1%	0.013	36%	0.358	C	S	.	.			trans	-74.1	142.8	-170.9	23.4	-24	0	0	0	112.7	P323 P324 L366 T393	P323-P364 VanDerWaalsContact C-CB 3.48Å; P323-P364 HydrophobicContact CB-CB 3.97Å; P323-P364 HydrophobicContact CB-CG 3.72Å; P323-P364 HydrophobicContact CG-CG 4.36Å; P323-P364 WeakPolarHBondContact O-CB 3.4Å; P324-P364 WeakPolarHBondContact O-CB 3.39Å; P364-L366 HydrophobicContact CB-CD2 4.47Å; P364-L366 HydrophobicContact CG-CD2 3.9Å; P364-L366 WeakPolarHBondContact O-CG 3.4Å; P364-L366 PolarHBondContact O-N 3.2Å; P364-T393 WeakPolarHBondContact O-CB 3.39Å; P364-T393 PolarHBondContact O-OG1 2.86Å
365	P	34.6	Very low	36.6	Very low	53 Å²	53	63.2 Å²	63.2	34%	0.344	35%	0.352	S	S	.	.			trans	-57.5	113.9	169.5	16	-18.6	0	0	0	111	P325 L326 R394	P325-P365 VanDerWaalsContact CA-O 3.23Å; P325-P365 WeakPolarHBondContact CA-O 3.39Å; P325-P365 HydrophobicContact CB-CG 3.99Å; P325-P365 HydrophobicContact CG-CG 4.03Å; L326-P365 PolarHBondContact N-O 3.22Å; L326-P365 VanDerWaalsContact N-O 3.14Å; P365-R394 HydrophobicContact CB-CB 4.35Å
366	L	32.6	Very low	37.2	Very low	3 Å²	3	60.1 Å²	60.1	2%	0.016	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.8	176.8	-56.6	179.4	0	0	0	108.2	L326 P364 F391 T393 R394 L395 R399	L326-L366 HydrophobicContact CB-CD2 3.58Å; L326-L366 HydrophobicContact CD1-CD2 3.46Å; L326-L366 VanDerWaalsContact CD1-CD2 3.46Å; L326-L366 HydrophobicContact CG-CD2 3.65Å; L326-L366 WeakPolarHBondContact O-CA 3.12Å; P364-L366 HydrophobicContact CB-CD2 4.47Å; P364-L366 HydrophobicContact CG-CD2 3.9Å; P364-L366 WeakPolarHBondContact O-CG 3.4Å; P364-L366 PolarHBondContact O-N 3.2Å; L366-F391 WeakPolarHBondContact CD1-O 3.39Å; L366-T393 WeakPolarHBondContact CB-O 3.42Å; L366-T393 WeakPolarHBondContact CG-OG1 3.33Å; L366-T393 PolarHBondContact N-O 3.02Å; L366-R394 VanDerWaalsContact O-O 3.12Å; L366-L395 HydrophobicContact CB-CD1 4.22Å; L366-L395 HydrophobicContact CB-CD2 4.14Å; L366-L395 HydrophobicContact CB-CG 4Å; L366-L395 WeakPolarHBondContact O-CD2 3.28Å; L366-L395 WeakPolarHBondContact O-CG 3.05Å; L366-R399 VanDerWaalsContact CD1-NH2 3.28Å
367	S	37.7	Very low	38.7	Very low	63 Å²	63	58.2 Å²	58.2	44%	0.441	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.9	171.2	62.9	0	0	0	0	110.3	L326 S327 G328	L326-S367 PolarHBondContact O-N 2.9Å; S327-S367 CarbonylContact C-O 3.57Å; S327-S367 VanDerWaalsContact CA-O 3.25Å; S327-S367 WeakPolarHBondContact CA-O 3.31Å; S327-S367 VanDerWaalsContact CB-OG 3.31Å; S327-S367 WeakPolarHBondContact CB-OG 3.25Å; G328-S367 PolarHBondContact N-O 2.86Å
368	G	38.5	Very low	40.1	Very low	25 Å²	25	52.5 Å²	52.5	26%	0.258	31%	0.309	S	S	.	.	S	Bend	trans	125.6	179.2	177.2	0	0	0	0	0	115.5	G328	G328-G368 WeakPolarHBondContact O-CA 3.37Å
369	R	47	Very low	41.7	Very low	95 Å²	95	44.3 Å²	44.3	36%	0.358	27%	0.273	S	S	.	.			trans	-100.5	127.6	-177.4	-67.5	-174.1	-178.5	-141.2	6.1	109.7	R329 R330	R329-R369 VanDerWaalsContact CA-O 3.3Å; R329-R369 WeakPolarHBondContact CA-O 3.49Å; R329-R369 HydrophobicContact CG-CB 4.38Å; R330-R369 PolarHBondContact N-O 3Å
370	R	48.2	Very low	43	Very low	20 Å²	20	42.6 Å²	42.6	8%	0.075	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.5	170.8	-59.2	-168	-176.3	-167.1	4.9	107.8	R330 N350 S352 R399 Y400	R330-R370 HydrophobicContact CB-CG 4.28Å; R330-R370 CarbonylContact O-C 3.56Å; R330-R370 VanDerWaalsContact O-CA 3.3Å; R330-R370 WeakPolarHBondContact O-CA 3.5Å; N350-R370 PolarHBondContact O-NH1 2.8Å; S352-R370 PolarHBondContact OG-NH1 3Å; S352-R370 PolarHBondContact OG-NH2 3.46Å; R370-R399 HydrophobicContact CB-CG 4.32Å; R370-R399 WeakPolarHBondContact O-CA 3.38Å; R370-Y400 PolarHBondContact O-N 2.62Å
371	N	48.2	Very low	44.4	Very low	49 Å²	49	40.2 Å²	40.2	26%	0.262	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.2	175.1	-66.2	-1.6	0	0	0	109	R330 N331 G332 Y400	R330-N371 PolarHBondContact O-N 2.95Å; N331-N371 CarbonylContact C-O 3.55Å; N331-N371 VanDerWaalsContact CA-O 3.26Å; N331-N371 WeakPolarHBondContact CA-O 3.33Å; G332-N371 PolarHBondContact N-O 3.19Å; N371-Y400 WeakPolarHBondContact CA-O 3.11Å
372	G	49.7	Very low	45.5	Very low	18 Å²	18	36.2 Å²	36.2	19%	0.186	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117.5	177.6	0	0	0	0	0	109.7	G332 Y400 G401	G332-G372 CarbonylContact O-C 3.5Å; G332-G372 VanDerWaalsContact O-CA 3.25Å; G332-G372 WeakPolarHBondContact O-CA 3.3Å; G372-Y400 PolarHBondContact N-O 2.8Å; G372-Y400 VanDerWaalsContact N-O 3.11Å; G372-G401 WeakPolarHBondContact O-CA 3.26Å
373	S	50	Low	46.7	Very low	46 Å²	46	38.5 Å²	38.5	32%	0.322	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.2	169.3	57.2	0	0	0	0	109.5	G332 S333 L334 S402	G332-S373 PolarHBondContact O-N 2.94Å; S333-S373 WeakPolarHBondContact CA-O 3.29Å; S333-S373 WeakPolarHBondContact CB-OG 3.34Å; L334-S373 PolarHBondContact N-O 3.22Å; S373-S402 WeakPolarHBondContact CA-O 3.41Å
374	L	50.2	Low	47.7	Very low	1 Å²	1	37.4 Å²	37.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.7	175.1	-173.4	66.3	0	0	0	106.4	L334 I347 M349 L377 I386 S402 K403 S404	L334-L374 HydrophobicContact CB-CD1 3.24Å; L334-L374 HydrophobicContact CD1-CD1 3.69Å; L334-L374 HydrophobicContact CG-CD1 4.07Å; L334-L374 WeakPolarHBondContact O-CA 3.49Å; I347-L374 HydrophobicContact CD1-CD1 4.24Å; M349-L374 HydrophobicContact CE-CB 4.29Å; M349-L374 HydrophobicContact CE-CD1 4.19Å; M349-L374 HydrophobicContact CE-CD2 4.44Å; L374-L377 HydrophobicContact CD1-CD1 3.83Å; L374-L377 HydrophobicContact CD1-CD2 4.05Å; L374-L377 HydrophobicContact CD1-CG 4.25Å; L374-L377 HydrophobicContact CD2-CD1 3.68Å; L374-L377 HydrophobicContact CG-CD1 3.67Å; L374-L377 HydrophobicContact CG-CD2 4.48Å; L374-L377 HydrophobicContact CG-CG 4.16Å; L374-I386 HydrophobicContact CD2-CD1 3.74Å; L374-I386 HydrophobicContact CD2-CG1 4.28Å; L374-I386 HydrophobicContact CD2-CG2 3.96Å; L374-S402 PolarHBondContact N-O 2.91Å; L374-K403 HydrophobicContact CB-CG 4.14Å; L374-K403 HydrophobicContact CD2-CD 4.43Å; L374-K403 VanDerWaalsContact O-CA 3.27Å; L374-K403 WeakPolarHBondContact O-CA 3.5Å; L374-S404 PolarHBondContact O-N 2.75Å; L374-S404 VanDerWaalsContact O-N 3.07Å
375	S	51.6	Low	48.5	Very low	35 Å²	35	39.8 Å²	39.8	25%	0.245	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.3	-178.5	57	0	0	0	0	112.6	L334 S335 G336 L377 S404	L334-S375 PolarHBondContact O-N 2.72Å; S335-S375 WeakPolarHBondContact CA-O 3.47Å; G336-S375 PolarHBondContact N-O 3.18Å; S375-L377 VanDerWaalsContact C-N 3.34Å; S375-L377 PolarHBondContact O-N 3.19Å; S375-S404 WeakPolarHBondContact CA-O 3.49Å; S375-S404 WeakPolarHBondContact CB-O 3.33Å
376	G	46.9	Very low	49.3	Very low	32 Å²	32	37.2 Å²	37.2	33%	0.33	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.1	48.2	175.1	0	0	0	0	0	112.7	G336 L337 G405	G336-G376 CarbonylContact C-O 3.4Å; G336-G376 WeakPolarHBondContact CA-O 3.34Å; G336-G376 PolarHBondContact N-O 2.99Å; L337-G376 PolarHBondContact N-O 2.69Å; G376-G405 VanDerWaalsContact CA-O 3.31Å; G376-G405 WeakPolarHBondContact CA-O 3.42Å; G376-G405 PolarHBondContact N-O 3.43Å
377	L	55.8	Low	50	Low	3 Å²	3	38.5 Å²	38.5	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112.9	166.9	-51.3	-171.1	0	0	0	106.1	L337 L374 S375 L384 I386 G405 L406 S407	L337-L377 HydrophobicContact CB-CD2 3.52Å; L337-L377 HydrophobicContact CD1-CD2 3.43Å; L337-L377 VanDerWaalsContact CD1-CD2 3.43Å; L337-L377 HydrophobicContact CG-CD2 3.3Å; L337-L377 CarbonylContact O-C 3.44Å; L337-L377 WeakPolarHBondContact O-CA 3.38Å; L374-L377 HydrophobicContact CD1-CD1 3.83Å; L374-L377 HydrophobicContact CD1-CD2 4.05Å; L374-L377 HydrophobicContact CD1-CG 4.25Å; L374-L377 HydrophobicContact CD2-CD1 3.68Å; L374-L377 HydrophobicContact CG-CD1 3.67Å; L374-L377 HydrophobicContact CG-CD2 4.48Å; L374-L377 HydrophobicContact CG-CG 4.16Å; S375-L377 VanDerWaalsContact C-N 3.34Å; S375-L377 PolarHBondContact O-N 3.19Å; L377-L384 HydrophobicContact CB-CD2 3.94Å; L377-L384 HydrophobicContact CD1-CD1 4.28Å; L377-L384 HydrophobicContact CD1-CD2 3.72Å; L377-L384 HydrophobicContact CD1-CG 4.5Å; L377-L384 HydrophobicContact CG-CD2 4.48Å; L377-I386 HydrophobicContact CD1-CD1 3.73Å; L377-I386 HydrophobicContact CD1-CG1 4.45Å; L377-G405 PolarHBondContact N-O 3.33Å; L377-L406 HydrophobicContact CB-CD2 3.57Å; L377-L406 HydrophobicContact CD1-CD2 3.56Å; L377-L406 HydrophobicContact CG-CD2 3.53Å; L377-L406 CarbonylContact O-C 3.58Å; L377-L406 VanDerWaalsContact O-CA 3.29Å; L377-L406 WeakPolarHBondContact O-CA 3.35Å; L377-S407 PolarHBondContact O-N 3.01Å
378	S	53.6	Low	50.4	Low	55 Å²	55	36.6 Å²	36.6	39%	0.385	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.4	178	58.7	0	0	0	0	111.8	L337 S338 G339 S407	L337-S378 PolarHBondContact O-N 3.45Å; S338-S378 CarbonylContact C-O 3.4Å; S338-S378 VanDerWaalsContact CA-O 3.25Å; S338-S378 WeakPolarHBondContact CA-O 3.28Å; G339-S378 PolarHBondContact N-O 2.79Å; S378-S407 WeakPolarHBondContact CA-O 2.95Å; S378-S407 VanDerWaalsContact CB-O 3.29Å; S378-S407 WeakPolarHBondContact CB-O 3.3Å
379	G	53.7	Low	50.5	Low	7 Å²	7	36.3 Å²	36.3	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	155.5	166	0	0	0	0	0	114.9	G339 S407 G408 K409	G339-G379 CarbonylContact O-C 3.47Å; G339-G379 WeakPolarHBondContact O-CA 3.4Å; G379-S407 PolarHBondContact N-O 3.01Å; G379-G408 CarbonylContact O-C 3.57Å; G379-G408 WeakPolarHBondContact O-CA 3.15Å; G379-K409 PolarHBondContact O-N 3.3Å
380	E	53.7	Low	50.3	Low	89 Å²	89	33.7 Å²	33.7	42%	0.416	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-37.2	-170.9	-62.7	-156.7	148.9	0	0	112.8	G339 K409 N410	G339-E380 PolarHBondContact O-N 2.72Å; E380-K409 CarbonylContact O-C 3.52Å; E380-N410 WeakPolarHBondContact O-CB 3.3Å
381	N	55	Low	49.5	Very low	66 Å²	66	33.8 Å²	33.8	35%	0.353	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	105.8	173.7	-63.2	-67.6	0	0	0	110.7	E340 N341 G342 N410	E340-N381 CarbonylContact O-C 3.57Å; E340-N381 PolarHBondContact O-N 3.14Å; N341-N381 CarbonylContact C-O 3.57Å; N341-N381 VanDerWaalsContact CA-O 3.24Å; N341-N381 WeakPolarHBondContact CA-O 3.31Å; N341-N381 WeakPolarHBondContact OD1-CB 3.49Å; N341-N381 PolarHBondContact OD1-ND2 2.88Å; G342-N381 PolarHBondContact N-O 3.15Å; N381-N410 WeakPolarHBondContact OD1-CB 3.45Å; N381-N410 PolarHBondContact OD1-O 2.65Å; N381-N410 VanDerWaalsContact OD1-O 3.11Å
382	G	51.6	Low	48.7	Very low	15 Å²	15	32.8 Å²	32.8	16%	0.155	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-178.8	-179.8	0	0	0	0	0	117.1	Q412 R413	G382-Q412 WeakPolarHBondContact O-CA 3.45Å; G382-Q412 VanDerWaalsContact O-CG 3.23Å; G382-Q412 WeakPolarHBondContact O-CG 3.47Å; G382-R413 PolarHBondContact O-N 2.88Å
383	Q	56.3	Low	47.7	Very low	100 Å²	100	32.1 Å²	32.1	47%	0.467	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112	175.3	-65.5	-171.3	15.7	0	0	110.3	Q343 V344	Q343-Q383 PolarHBondContact O-N 3.21Å; V344-Q383 WeakPolarHBondContact CA-O 3.42Å
384	L	53.5	Low	46.7	Very low	8 Å²	8	34 Å²	34	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109.6	178.3	177.1	59.6	0	0	0	109.6	I345 L377 I386 R413 I414 Y415	I345-L384 HydrophobicContact CB-CD1 3.93Å; I345-L384 HydrophobicContact CD1-CD1 4.43Å; L377-L384 HydrophobicContact CB-CD2 3.94Å; L377-L384 HydrophobicContact CD1-CD1 4.28Å; L377-L384 HydrophobicContact CD1-CD2 3.72Å; L377-L384 HydrophobicContact CD1-CG 4.5Å; L377-L384 HydrophobicContact CG-CD2 4.48Å; L384-I386 HydrophobicContact CD1-CD1 4.28Å; L384-I386 HydrophobicContact CD1-CG1 4.04Å; L384-I386 HydrophobicContact CD2-CD1 3.88Å; L384-I386 HydrophobicContact CG-CD1 3.84Å; L384-I386 HydrophobicContact CG-CG1 3.98Å; L384-R413 PolarHBondContact N-O 2.81Å; L384-I414 HydrophobicContact CB-CG1 4.5Å; L384-I414 HydrophobicContact CD2-CG1 4.48Å; L384-I414 HydrophobicContact CD2-CG2 4.32Å; L384-Y415 PolarHBondContact O-N 2.95Å
385	H	50.5	Low	45.7	Very low	52 Å²	52	34.9 Å²	34.9	24%	0.241	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	101.8	179.9	-170.1	-160	0	0	0	112.8	I345 Y346 I347 T387 Y415	I345-H385 CarbonylContact O-C 3.52Å; I345-H385 PolarHBondContact O-N 2.93Å; Y346-H385 WeakPolarHBondContact CA-O 3.46Å; Y346-H385 HydrophobicContact CD1-CB 4.07Å; Y346-H385 AromaticContact CD1-ND1 3.67Å; Y346-H385 HydrophobicContact CE1-CB 4.05Å; Y346-H385 AromaticContact CE1-ND1 3.45Å; Y346-H385 WeakPolarHBondContact CE1-ND1 3.32Å; I347-H385 PolarHBondContact N-O 2.9Å; H385-T387 PolarHBondContact NE2-OG1 2.76Å; H385-Y415 VanDerWaalsContact CD2-CB 3.45Å; H385-Y415 WeakPolarHBondContact CD2-CB 3.3Å
386	I	50.6	Low	44.6	Very low	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	106.4	-178.8	-57.1	155.1	0	0	0	109.5	I347 L374 L377 L384 I388 Y415 I416 T417	I347-I386 HydrophobicContact CD1-CG1 4.4Å; L374-I386 HydrophobicContact CD2-CD1 3.74Å; L374-I386 HydrophobicContact CD2-CG1 4.28Å; L374-I386 HydrophobicContact CD2-CG2 3.96Å; L377-I386 HydrophobicContact CD1-CD1 3.73Å; L377-I386 HydrophobicContact CD1-CG1 4.45Å; L384-I386 HydrophobicContact CD1-CD1 4.28Å; L384-I386 HydrophobicContact CD1-CG1 4.04Å; L384-I386 HydrophobicContact CD2-CD1 3.88Å; L384-I386 HydrophobicContact CG-CD1 3.84Å; L384-I386 HydrophobicContact CG-CG1 3.98Å; I386-I388 HydrophobicContact CG2-CD1 4.26Å; I386-I388 HydrophobicContact CG2-CG1 3.99Å; I386-Y415 PolarHBondContact N-O 2.77Å; I386-I416 HydrophobicContact CD1-CG1 4.5Å; I386-I416 WeakPolarHBondContact O-CA 3.26Å; I386-T417 PolarHBondContact O-N 3.38Å
387	T	46.9	Very low	43.9	Very low	29 Å²	29	37.1 Å²	37.1	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113	175.4	-68.7	0	0	0	0	111.6	I347 H385	I347-T387 CarbonylContact O-C 3.44Å; I347-T387 PolarHBondContact O-N 2.92Å; H385-T387 PolarHBondContact NE2-OG1 2.76Å
388	I	46.5	Very low	42.9	Very low	23 Å²	23	41.2 Å²	41.2	12%	0.118	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	101	178.5	-48.8	-176.4	0	0	0	109.9	I386 I390 T417 V418 N419	I386-I388 HydrophobicContact CG2-CD1 4.26Å; I386-I388 HydrophobicContact CG2-CG1 3.99Å; I388-I390 HydrophobicContact CB-CG1 4.48Å; I388-I390 HydrophobicContact CG2-CD1 3.9Å; I388-I390 HydrophobicContact CG2-CG1 3.54Å; I388-I390 PolarHBondContact O-N 2.78Å; I388-T417 PolarHBondContact N-O 2.99Å; I388-V418 WeakPolarHBondContact O-CA 3.46Å; I388-N419 PolarHBondContact O-N 3.48Å; I388-N419 VanDerWaalsContact O-N 3.13Å
389	N	41.7	Very low	42.3	Very low	20 Å²	20	39.5 Å²	39.5	11%	0.107	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	98.9	174.9	-66.8	-26.9	0	0	0	110.8	S351 F391 N419	S351-N389 WeakPolarHBondContact CA-O 3.39Å; N389-F391 HydrophobicContact CB-CD2 4.08Å; N389-F391 HydrophobicContact CB-CE2 3.51Å; N389-F391 HydrophobicContact CB-CZ 4.06Å; N389-F391 PolarHBondContact O-N 2.88Å; N389-N419 PolarHBondContact OD1-ND2 3.31Å
390	I	41.8	Very low	41.3	Very low	39 Å²	39	42.7 Å²	42.7	20%	0.2	22%	0.217	C	C	.	.			trans	-101.8	65.8	-178.9	-53.2	-176.3	0	0	0	108.8	I388 P392 V418 N419	I388-I390 HydrophobicContact CB-CG1 4.48Å; I388-I390 HydrophobicContact CG2-CD1 3.9Å; I388-I390 HydrophobicContact CG2-CG1 3.54Å; I388-I390 PolarHBondContact O-N 2.78Å; I390-P392 WeakPolarHBondContact O-CD 3.41Å; I390-V418 HydrophobicContact CD1-CG1 3.91Å; I390-V418 HydrophobicContact CG1-CG1 4.4Å; I390-N419 CarbonylContact C-O 3.54Å; I390-N419 WeakPolarHBondContact CA-O 3.19Å; I390-N419 PolarHBondContact N-O 3.46Å
391	F	32.1	Very low	40.6	Very low	22 Å²	22	39.6 Å²	39.6	10%	0.096	21%	0.209	C	C	.	.			trans	-57.6	118.2	175.9	-58.3	-86.7	0	0	0	111	S352 L366 N389 R399 D421	S352-F391 VanDerWaalsContact O-CB 3.24Å; S352-F391 WeakPolarHBondContact O-CB 3.3Å; S352-F391 WeakPolarHBondContact O-CD2 2.94Å; S352-F391 WeakPolarHBondContact O-CG 3.13Å; L366-F391 WeakPolarHBondContact CD1-O 3.39Å; N389-F391 HydrophobicContact CB-CD2 4.08Å; N389-F391 HydrophobicContact CB-CE2 3.51Å; N389-F391 HydrophobicContact CB-CZ 4.06Å; N389-F391 PolarHBondContact O-N 2.88Å; F391-R399 PolarHBondContact O-NH2 3.3Å; F391-D421 HydrophobicContact CD1-CB 4.27Å; F391-D421 WeakPolarHBondContact CD1-OD2 2.84Å; F391-D421 WeakPolarHBondContact CE1-OD2 3.17Å
392	P	30.3	Very low	39.8	Very low	29 Å²	29	39.3 Å²	39.3	19%	0.188	21%	0.212	C	C	.	.			trans	-95.9	125.9	173.3	34.8	-33.1	0	0	0	113.2	I390 D421	I390-P392 WeakPolarHBondContact O-CD 3.41Å; P392-D421 VanDerWaalsContact CD-N 3.29Å; P392-D421 WeakPolarHBondContact CD-O 3.1Å; P392-D421 WeakPolarHBondContact CG-O 3.2Å; P392-D421 VanDerWaalsContact O-O 3.12Å
393	T	29.1	Very low	39.6	Very low	4 Å²	4	39.3 Å²	39.3	3%	0.025	21%	0.208	C	C	.	.			trans	-145	126.2	164.9	10.7	0	0	0	0	111.4	P363 P364 L366 L395 S423	P363-T393 HydrophobicContact CB-CG2 3.6Å; P363-T393 HydrophobicContact CG-CG2 4.28Å; P363-T393 WeakPolarHBondContact O-CG2 3.13Å; P364-T393 WeakPolarHBondContact O-CB 3.39Å; P364-T393 PolarHBondContact O-OG1 2.86Å; L366-T393 WeakPolarHBondContact CB-O 3.42Å; L366-T393 WeakPolarHBondContact CG-OG1 3.33Å; L366-T393 PolarHBondContact N-O 3.02Å; T393-L395 VanDerWaalsContact C-N 3.35Å; T393-L395 PolarHBondContact O-N 2.98Å; T393-L395 VanDerWaalsContact O-N 3.16Å; T393-S423 WeakPolarHBondContact CG2-O 3.31Å; T393-S423 WeakPolarHBondContact CG2-OG 3.5Å
394	R	28.6	Very low	38.9	Very low	84 Å²	84	37 Å²	37	32%	0.317	20%	0.203	S	C	.	.	S	Bend	trans	34.2	58.9	179.4	-75	-171.1	170.4	-161.5	-0.3	114.3	P365 L366 Y426 T433 F435	P365-R394 HydrophobicContact CB-CB 4.35Å; L366-R394 VanDerWaalsContact O-O 3.12Å; R394-Y426 PolarHBondContact NH1-OH 3.02Å; R394-Y426 VanDerWaalsContact NH2-CD1 3.31Å; R394-Y426 VanDerWaalsContact NH2-CG 3.27Å; R394-T433 HydrophobicContact CG-CG2 4.48Å; R394-T433 VanDerWaalsContact NE-CG2 3.33Å; R394-T433 VanDerWaalsContact NH2-CG2 3.29Å; R394-F435 HydrophobicContact CB-CE1 4.42Å; R394-F435 HydrophobicContact CG-CD1 4.39Å; R394-F435 HydrophobicContact CG-CE1 3.76Å; R394-F435 HydrophobicContact CG-CZ 4.25Å
395	L	28.9	Very low	38.3	Very low	21 Å²	21	38.1 Å²	38.1	11%	0.11	22%	0.216	C	C	.	.			trans	-94.2	116.4	175.9	-85.4	163.4	0	0	0	111.2	L366 T393 S436	L366-L395 HydrophobicContact CB-CD1 4.22Å; L366-L395 HydrophobicContact CB-CD2 4.14Å; L366-L395 HydrophobicContact CB-CG 4Å; L366-L395 WeakPolarHBondContact O-CD2 3.28Å; L366-L395 WeakPolarHBondContact O-CG 3.05Å; T393-L395 VanDerWaalsContact C-N 3.35Å; T393-L395 PolarHBondContact O-N 2.98Å; T393-L395 VanDerWaalsContact O-N 3.16Å; L395-S436 CarbonylContact O-C 3.54Å
396	S	30.3	Very low	38.3	Very low	98 Å²	98	35.7 Å²	35.7	69%	0.685	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	88.3	139	65.7	0	0	0	0	107.2
397	G	32.2	Very low	38.2	Very low	16 Å²	16	37.9 Å²	37.9	17%	0.165	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	146.3	-175.1	0	0	0	0	0	113.3	R438	G397-R438 PolarHBondContact O-N 2.94Å
398	R	34	Very low	38.2	Very low	88 Å²	88	36.6 Å²	36.6	33%	0.332	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.8	174	-52.9	-167.9	-173.4	-166	4.3	108.5	Y400 R438	R398-Y400 HydrophobicContact CB-CD2 4.13Å; R398-Y400 HydrophobicContact CB-CE2 3.4Å; R398-Y400 VanDerWaalsContact CB-CE2 3.4Å; R398-Y400 WeakPolarHBondContact CD-OH 3.37Å; R398-Y400 HydrophobicContact CG-CE2 4.32Å; R398-Y400 PolarHBondContact NH1-OH 2.89Å; R398-R438 CarbonylContact C-O 3.56Å; R398-R438 WeakPolarHBondContact CA-O 3.43Å; R398-R438 HydrophobicContact CG-CB 4.31Å
399	R	41.8	Very low	38.3	Very low	20 Å²	20	39.5 Å²	39.5	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.1	170	-64.6	-168.5	-171.3	-160.5	10	108.1	L366 R370 F391 R438 K439 Y440	L366-R399 VanDerWaalsContact CD1-NH2 3.28Å; R370-R399 HydrophobicContact CB-CG 4.32Å; R370-R399 WeakPolarHBondContact O-CA 3.38Å; F391-R399 PolarHBondContact O-NH2 3.3Å; R399-R438 PolarHBondContact N-O 3.16Å; R399-K439 CarbonylContact O-C 3.58Å; R399-Y440 PolarHBondContact O-N 3.21Å
400	Y	32.7	Very low	38.8	Very low	73 Å²	73	41.7 Å²	41.7	29%	0.286	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.1	178.6	-65.1	-90.9	0	0	0	108.9	R370 N371 G372 R398 Y440	R370-Y400 PolarHBondContact O-N 2.62Å; N371-Y400 WeakPolarHBondContact CA-O 3.11Å; G372-Y400 PolarHBondContact N-O 2.8Å; G372-Y400 VanDerWaalsContact N-O 3.11Å; R398-Y400 HydrophobicContact CB-CD2 4.13Å; R398-Y400 HydrophobicContact CB-CE2 3.4Å; R398-Y400 VanDerWaalsContact CB-CE2 3.4Å; R398-Y400 WeakPolarHBondContact CD-OH 3.37Å; R398-Y400 HydrophobicContact CG-CE2 4.32Å; R398-Y400 PolarHBondContact NH1-OH 2.89Å; Y400-Y440 CarbonylContact C-O 3.59Å; Y400-Y440 WeakPolarHBondContact CA-O 3.38Å; Y400-Y440 HydrophobicContact CD1-CD1 4.37Å; Y400-Y440 AromaticContact CD1-CD2 3.54Å; Y400-Y440 HydrophobicContact CD1-CD2 3.54Å; Y400-Y440 HydrophobicContact CD1-CE2 4.31Å; Y400-Y440 AromaticContact CD1-CG 3.59Å; Y400-Y440 HydrophobicContact CD1-CG 3.59Å; Y400-Y440 HydrophobicContact CE1-CD1 4.01Å; Y400-Y440 AromaticContact CE1-CD2 3.22Å; Y400-Y440 HydrophobicContact CE1-CD2 3.22Å; Y400-Y440 HydrophobicContact CE1-CE1 4.29Å; Y400-Y440 AromaticContact CE1-CE2 3.55Å; Y400-Y440 HydrophobicContact CE1-CE2 3.55Å; Y400-Y440 AromaticContact CE1-CG 3.5Å; Y400-Y440 HydrophobicContact CE1-CG 3.5Å; Y400-Y440 HydrophobicContact CE2-CD2 4.32Å; Y400-Y440 HydrophobicContact CE2-CE2 4.46Å; Y400-Y440 HydrophobicContact CG-CD2 4.19Å; Y400-Y440 AromaticContact CZ-CD2 3.67Å; Y400-Y440 AromaticContact CZ-CE2 3.63Å
401	G	38.7	Very low	39.2	Very low	24 Å²	24	42.2 Å²	42.2	25%	0.247	25%	0.251	C	S	.	.			trans	-136	99.6	169.2	0	0	0	0	0	111.6	G372 Y440 G441 S442	G372-G401 WeakPolarHBondContact O-CA 3.26Å; G401-Y440 PolarHBondContact N-O 3.21Å; G401-G441 CarbonylContact O-C 3.52Å; G401-G441 WeakPolarHBondContact O-CA 3.27Å; G401-S442 PolarHBondContact O-N 2.76Å
402	S	37	Very low	40.4	Very low	60 Å²	60	41.8 Å²	41.8	42%	0.42	25%	0.249	S	C	.	.			trans	-86.6	123.4	170.1	46.4	0	0	0	0	108.7	S373 L374 S442	S373-S402 WeakPolarHBondContact CA-O 3.41Å; L374-S402 PolarHBondContact N-O 2.91Å; S402-S442 CarbonylContact C-O 3.59Å
403	K	48.4	Very low	41.8	Very low	16 Å²	16	46 Å²	46	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.8	169.3	-62.3	-176.2	164.5	-170.4	0	107.4	L374 I416 S442 L443 S444	L374-K403 HydrophobicContact CB-CG 4.14Å; L374-K403 HydrophobicContact CD2-CD 4.43Å; L374-K403 VanDerWaalsContact O-CA 3.27Å; L374-K403 WeakPolarHBondContact O-CA 3.5Å; K403-I416 VanDerWaalsContact NZ-CG2 3.25Å; K403-S442 PolarHBondContact N-O 3.42Å; K403-L443 HydrophobicContact CB-CD2 3.79Å; K403-L443 HydrophobicContact CB-CG 4.06Å; K403-L443 HydrophobicContact CD-CD2 3.4Å; K403-L443 HydrophobicContact CD-CG 3.85Å; K403-L443 HydrophobicContact CG-CD2 4.2Å; K403-L443 HydrophobicContact CG-CG 4.4Å; K403-L443 CarbonylContact O-C 3.5Å; K403-L443 WeakPolarHBondContact O-CA 3.41Å; K403-S444 PolarHBondContact O-N 2.99Å; K403-S444 PolarHBondContact O-OG 3.49Å
404	S	41.9	Very low	43.1	Very low	51 Å²	51	45.8 Å²	45.8	36%	0.357	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130.2	-177.3	54.9	0	0	0	0	111.5	L374 S375 S444	L374-S404 PolarHBondContact O-N 2.75Å; L374-S404 VanDerWaalsContact O-N 3.07Å; S375-S404 WeakPolarHBondContact CA-O 3.49Å; S375-S404 WeakPolarHBondContact CB-O 3.33Å; S404-S444 CarbonylContact C-O 3.59Å; S404-S444 WeakPolarHBondContact CA-O 3.44Å
405	G	40.2	Very low	44.4	Very low	31 Å²	31	44.6 Å²	44.6	32%	0.32	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.6	61.6	173.5	0	0	0	0	0	112.9	G376 L377 S444 G445	G376-G405 VanDerWaalsContact CA-O 3.31Å; G376-G405 WeakPolarHBondContact CA-O 3.42Å; G376-G405 PolarHBondContact N-O 3.43Å; L377-G405 PolarHBondContact N-O 3.33Å; G405-S444 PolarHBondContact N-O 3.07Å; G405-G445 CarbonylContact C-O 3.52Å; G405-G445 VanDerWaalsContact CA-O 3.26Å; G405-G445 WeakPolarHBondContact CA-O 3.32Å; G405-G445 PolarHBondContact N-O 2.91Å
406	L	50.2	Low	45.5	Very low	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108	161.5	-42.9	176.3	0	0	0	105.5	L377 I414 I416 G445 L446 S447	L377-L406 HydrophobicContact CB-CD2 3.57Å; L377-L406 HydrophobicContact CD1-CD2 3.56Å; L377-L406 HydrophobicContact CG-CD2 3.53Å; L377-L406 CarbonylContact O-C 3.58Å; L377-L406 VanDerWaalsContact O-CA 3.29Å; L377-L406 WeakPolarHBondContact O-CA 3.35Å; L406-I414 HydrophobicContact CB-CD1 4.13Å; L406-I414 HydrophobicContact CD1-CD1 4.45Å; L406-I414 HydrophobicContact CD1-CG2 4.26Å; L406-I416 HydrophobicContact CD1-CD1 4.33Å; L406-G445 PolarHBondContact N-O 3.33Å; L406-G445 VanDerWaalsContact O-O 3.1Å; L406-L446 HydrophobicContact CB-CD2 3.45Å; L406-L446 VanDerWaalsContact CB-CD2 3.45Å; L406-L446 HydrophobicContact CD1-CD2 3.37Å; L406-L446 HydrophobicContact CG-CD2 3.46Å; L406-L446 VanDerWaalsContact CG-CD2 3.46Å; L406-L446 VanDerWaalsContact O-CA 3.26Å; L406-L446 WeakPolarHBondContact O-CA 3.44Å; L406-S447 PolarHBondContact O-N 3.22Å
407	S	49	Very low	46.6	Very low	46 Å²	46	40.1 Å²	40.1	32%	0.322	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.2	-179.2	-169.9	0	0	0	0	109.1	L377 S378 G379 S447	L377-S407 PolarHBondContact O-N 3.01Å; S378-S407 WeakPolarHBondContact CA-O 2.95Å; S378-S407 VanDerWaalsContact CB-O 3.29Å; S378-S407 WeakPolarHBondContact CB-O 3.3Å; G379-S407 PolarHBondContact N-O 3.01Å; S407-S447 VanDerWaalsContact CA-O 3.3Å; S407-S447 WeakPolarHBondContact CA-O 3.29Å; S407-S447 WeakPolarHBondContact CB-OG 3.35Å; S407-S447 PolarHBondContact OG-O 2.87Å; S407-S447 PolarHBondContact OG-OG 2.95Å
408	G	46.8	Very low	47.4	Very low	1 Å²	1	41 Å²	41	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	155.2	172	0	0	0	0	0	110.4	G379 S447 G448 Q452	G379-G408 CarbonylContact O-C 3.57Å; G379-G408 WeakPolarHBondContact O-CA 3.15Å; G408-S447 PolarHBondContact N-O 2.79Å; G408-S447 VanDerWaalsContact N-O 3.1Å; G408-G448 VanDerWaalsContact O-CA 3.29Å; G408-G448 WeakPolarHBondContact O-CA 2.92Å; G408-Q452 PolarHBondContact O-NE2 2.81Å
409	K	48.7	Very low	48	Very low	84 Å²	84	38.5 Å²	38.5	37%	0.365	22%	0.221	S	C	.	.			trans	-105.2	165.7	150	-63.2	-178.7	176.1	178.3	0	108.3	G379 E380 E449	G379-K409 PolarHBondContact O-N 3.3Å; E380-K409 CarbonylContact O-C 3.52Å; K409-E449 WeakPolarHBondContact CE-OE1 3.27Å
410	N	52.7	Low	48.1	Very low	67 Å²	67	38 Å²	38	36%	0.358	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	32.8	97.6	168.1	-59.9	-21.8	0	0	0	118.2	E380 N381 Q412 N450	E380-N410 WeakPolarHBondContact O-CB 3.3Å; N381-N410 WeakPolarHBondContact OD1-CB 3.45Å; N381-N410 PolarHBondContact OD1-O 2.65Å; N381-N410 VanDerWaalsContact OD1-O 3.11Å; N410-Q412 PolarHBondContact O-N 2.94Å; N410-N450 WeakPolarHBondContact OD1-CB 3.09Å; N410-N450 PolarHBondContact OD1-ND2 2.64Å
411	G	50	Low	48.4	Very low	49 Å²	49	36.4 Å²	36.4	51%	0.505	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	6.7	160.6	0	0	0	0	0	116.7	R413 N450	G411-R413 PolarHBondContact O-N 3.49Å; G411-N450 PolarHBondContact N-O 3.29Å; G411-N450 VanDerWaalsContact N-O 3.15Å
412	Q	57.6	Low	48.3	Very low	14 Å²	14	36.1 Å²	36.1	7%	0.065	21%	0.214	C	C	.	.			trans	-59.2	131.8	-179.9	-156.4	178.5	40.6	0	0	111.8	G382 N410 Q452 S453	G382-Q412 WeakPolarHBondContact O-CA 3.45Å; G382-Q412 VanDerWaalsContact O-CG 3.23Å; G382-Q412 WeakPolarHBondContact O-CG 3.47Å; N410-Q412 PolarHBondContact O-N 2.94Å; Q412-Q452 HydrophobicContact CB-CG 4.48Å; Q412-S453 PolarHBondContact O-N 2.97Å
413	R	59.3	Low	47.9	Very low	116 Å²	116	33.7 Å²	33.7	44%	0.438	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.8	173.2	-63.6	-173.8	-177.2	176.3	3.4	110	G382 L384 G411 Y415 S453	G382-R413 PolarHBondContact O-N 2.88Å; L384-R413 PolarHBondContact N-O 2.81Å; G411-R413 PolarHBondContact O-N 3.49Å; R413-Y415 HydrophobicContact CB-CD2 4.45Å; R413-Y415 HydrophobicContact CB-CE2 3.7Å; R413-Y415 WeakPolarHBondContact CD-OH 3.05Å; R413-S453 WeakPolarHBondContact CA-O 3.41Å
414	I	55.8	Low	47	Very low	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.7	180	-55.7	176	0	0	0	108.6	L384 L406 I416 S453 I454 Y455	L384-I414 HydrophobicContact CB-CG1 4.5Å; L384-I414 HydrophobicContact CD2-CG1 4.48Å; L384-I414 HydrophobicContact CD2-CG2 4.32Å; L406-I414 HydrophobicContact CB-CD1 4.13Å; L406-I414 HydrophobicContact CD1-CD1 4.45Å; L406-I414 HydrophobicContact CD1-CG2 4.26Å; I414-I416 HydrophobicContact CG2-CD1 4.21Å; I414-I416 HydrophobicContact CG2-CG1 4.01Å; I414-S453 PolarHBondContact N-O 3.28Å; I414-S453 VanDerWaalsContact N-O 3.13Å; I414-I454 HydrophobicContact CB-CG2 4.46Å; I414-Y455 PolarHBondContact O-N 3.26Å
415	Y	55.6	Low	46.7	Very low	59 Å²	59	32.7 Å²	32.7	23%	0.231	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.9	175.9	-60.2	-90.3	0	0	0	109.9	L384 H385 I386 R413 Y455	L384-Y415 PolarHBondContact O-N 2.95Å; H385-Y415 VanDerWaalsContact CD2-CB 3.45Å; H385-Y415 WeakPolarHBondContact CD2-CB 3.3Å; I386-Y415 PolarHBondContact N-O 2.77Å; R413-Y415 HydrophobicContact CB-CD2 4.45Å; R413-Y415 HydrophobicContact CB-CE2 3.7Å; R413-Y415 WeakPolarHBondContact CD-OH 3.05Å; Y415-Y455 CarbonylContact C-O 3.55Å; Y415-Y455 WeakPolarHBondContact CA-O 3.27Å; Y415-Y455 AromaticContact CD1-CD2 3.74Å; Y415-Y455 HydrophobicContact CD1-CD2 3.74Å; Y415-Y455 AromaticContact CD1-CG 3.77Å; Y415-Y455 HydrophobicContact CD1-CG 3.77Å; Y415-Y455 HydrophobicContact CE1-CD1 4.34Å; Y415-Y455 AromaticContact CE1-CD2 3.37Å; Y415-Y455 HydrophobicContact CE1-CD2 3.37Å; Y415-Y455 AromaticContact CE1-CE2 3.89Å; Y415-Y455 HydrophobicContact CE1-CE2 3.89Å; Y415-Y455 AromaticContact CE1-CG 3.64Å; Y415-Y455 HydrophobicContact CE1-CG 3.64Å; Y415-Y455 HydrophobicContact CG-CD2 4.49Å; Y415-Y455 AromaticContact CZ-CD2 3.9Å
416	I	53.6	Low	46.2	Very low	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	106.2	179	-58.1	176.1	0	0	0	108.4	I386 K403 L406 I414 V418 L443 Y455 I456 T457	I386-I416 HydrophobicContact CD1-CG1 4.5Å; I386-I416 WeakPolarHBondContact O-CA 3.26Å; K403-I416 VanDerWaalsContact NZ-CG2 3.25Å; L406-I416 HydrophobicContact CD1-CD1 4.33Å; I414-I416 HydrophobicContact CG2-CD1 4.21Å; I414-I416 HydrophobicContact CG2-CG1 4.01Å; I416-V418 HydrophobicContact CG2-CG2 4.24Å; I416-L443 HydrophobicContact CD1-CD2 3.6Å; I416-Y455 PolarHBondContact N-O 2.95Å; I416-I456 HydrophobicContact CB-CG1 4.41Å; I416-I456 HydrophobicContact CD1-CG1 4.49Å; I416-I456 CarbonylContact O-C 3.58Å; I416-I456 WeakPolarHBondContact O-CA 3.4Å; I416-T457 PolarHBondContact O-N 3.41Å
417	T	51.4	Low	45	Very low	24 Å²	24	47.6 Å²	47.6	15%	0.147	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.4	176.1	-57.7	0	0	0	0	110	I386 I388 N419 T457	I386-T417 PolarHBondContact O-N 3.38Å; I388-T417 PolarHBondContact N-O 2.99Å; T417-N419 WeakPolarHBondContact CG2-OD1 3.11Å; T417-T457 CarbonylContact C-O 3.49Å; T417-T457 WeakPolarHBondContact CA-O 3.42Å
418	V	50.8	Low	43.8	Very low	35 Å²	35	51.4 Å²	51.4	21%	0.212	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	103.9	177.6	-175.8	0	0	0	0	109.2	I388 I390 I416 T457 V458 N459	I388-V418 WeakPolarHBondContact O-CA 3.46Å; I390-V418 HydrophobicContact CD1-CG1 3.91Å; I390-V418 HydrophobicContact CG1-CG1 4.4Å; I416-V418 HydrophobicContact CG2-CG2 4.24Å; V418-T457 PolarHBondContact N-O 3.17Å; V418-V458 HydrophobicContact CB-CG2 4.4Å; V418-V458 CarbonylContact O-C 3.51Å; V418-V458 WeakPolarHBondContact O-CA 3.34Å; V418-N459 PolarHBondContact O-N 3.11Å
419	N	45.2	Very low	42.8	Very low	34 Å²	34	61.3 Å²	61.3	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.5	-180	-63	-36.8	0	0	0	111.2	I388 N389 I390 T417 N459	I388-N419 PolarHBondContact O-N 3.48Å; I388-N419 VanDerWaalsContact O-N 3.13Å; N389-N419 PolarHBondContact OD1-ND2 3.31Å; I390-N419 CarbonylContact C-O 3.54Å; I390-N419 WeakPolarHBondContact CA-O 3.19Å; I390-N419 PolarHBondContact N-O 3.46Å; T417-N419 WeakPolarHBondContact CG2-OD1 3.11Å; N419-N459 WeakPolarHBondContact OD1-CB 3.03Å; N419-N459 PolarHBondContact OD1-ND2 2.77Å
420	S	44.7	Very low	41.6	Very low	9 Å²	9	66.2 Å²	66.2	6%	0.063	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	92.2	178.8	59.9	0	0	0	0	114.5	G422 K439 N459 S460 D461	S420-G422 PolarHBondContact O-N 2.94Å; S420-K439 VanDerWaalsContact CB-NZ 3.29Å; S420-N459 PolarHBondContact N-O 2.89Å; S420-N459 PolarHBondContact OG-O 2.78Å; S420-S460 WeakPolarHBondContact O-CA 2.94Å; S420-D461 PolarHBondContact O-N 2.8Å
421	D	38.7	Very low	40.1	Very low	41 Å²	41	72 Å²	72	22%	0.219	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	105.1	-176.7	-46.9	-1.6	0	0	0	111.9	F391 P392 S423	F391-D421 HydrophobicContact CD1-CB 4.27Å; F391-D421 WeakPolarHBondContact CD1-OD2 2.84Å; F391-D421 WeakPolarHBondContact CE1-OD2 3.17Å; P392-D421 VanDerWaalsContact CD-N 3.29Å; P392-D421 WeakPolarHBondContact CD-O 3.1Å; P392-D421 WeakPolarHBondContact CG-O 3.2Å; P392-D421 VanDerWaalsContact O-O 3.12Å; D421-S423 PolarHBondContact O-N 3.49Å
422	G	37	Very low	38.9	Very low	18 Å²	18	73.7 Å²	73.7	19%	0.186	34%	0.336	C	S	.	.			trans	-65.7	129.1	170.8	0	0	0	0	0	109.8	S420 D461 S463	S420-G422 PolarHBondContact O-N 2.94Å; G422-D461 PolarHBondContact N-O 2.74Å; G422-S463 WeakPolarHBondContact O-CB 3.33Å; G422-S463 PolarHBondContact O-OG 2.84Å
423	S	27.8	Very low	37.4	Very low	8 Å²	8	74.2 Å²	74.2	6%	0.056	34%	0.341	C	S	.	.			trans	-134.9	141.4	159.8	74.5	0	0	0	0	115.2	P363 T393 D421 F435 S463	P363-S423 VanDerWaalsContact CB-OG 3.27Å; P363-S423 WeakPolarHBondContact CB-OG 3.24Å; P363-S423 WeakPolarHBondContact CD-OG 3.37Å; P363-S423 WeakPolarHBondContact CG-OG 3.3Å; T393-S423 WeakPolarHBondContact CG2-O 3.31Å; T393-S423 WeakPolarHBondContact CG2-OG 3.5Å; D421-S423 PolarHBondContact O-N 3.49Å; S423-F435 WeakPolarHBondContact O-CE1 3.3Å; S423-F435 VanDerWaalsContact O-CZ 3.3Å; S423-F435 WeakPolarHBondContact O-CZ 3.5Å; S423-S463 WeakPolarHBondContact CA-OG 3.48Å
424	G	30.9	Very low	35.7	Very low	11 Å²	11	78.7 Å²	78.7	11%	0.113	36%	0.358	C	S	.	.			trans	148.9	128.5	161.7	0	0	0	0	0	111.2
425	S	35.6	Very low	34.3	Very low	36 Å²	36	79.7 Å²	79.7	25%	0.252	36%	0.362	S	S	.	.				-165.5	130.9	80.4	41.5	0	0	0	0	110.6
426	Y	28.3	Very low	32.9	Very low	115 Å²	115	79.6 Å²	79.6	45%	0.451	37%	0.37	S	S	.	.				85.7	100.6	75.3	-98	-105.5	0	0	0	116.3	R394 N428	R394-Y426 PolarHBondContact NH1-OH 3.02Å; R394-Y426 VanDerWaalsContact NH2-CD1 3.31Å; R394-Y426 VanDerWaalsContact NH2-CG 3.27Å; Y426-N428 HydrophobicContact CD1-CB 4.28Å; Y426-N428 PolarHBondContact O-N 3.31Å
427	R	24.9	Very low	31.8	Very low	231 Å²	231	80.7 Å²	80.7	87%	0.872	38%	0.381	S	S	*	.	S	Bend	trans	-77.9	88.1	147.3	-93.7	-168.3	177.9	-160.5	1.2	107.7
428	N	25	Very low	30.7	Very low	125 Å²	125	83.3 Å²	83.3	67%	0.668	39%	0.389	S	S	*	.			trans	-159.8	124.4	151	-128.7	-26.8	0	0	0	111.4	Y426 Y430	Y426-N428 HydrophobicContact CD1-CB 4.28Å; Y426-N428 PolarHBondContact O-N 3.31Å; N428-Y430 VanDerWaalsContact C-N 3.26Å; N428-Y430 PolarHBondContact O-N 2.99Å
429	R	24.8	Very low	30.1	Very low	210 Å²	210	84.1 Å²	84.1	79%	0.792	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	6.3	-156.7	-85.2	-177.9	-96	-175.9	-5.4	117.2
430	Y	23.5	Very low	29.5	Very low	187 Å²	187	85 Å²	85	73%	0.733	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.6	2.4	-162.6	-68.1	-75.1	0	0	0	120.3	N428	N428-Y430 VanDerWaalsContact C-N 3.26Å; N428-Y430 PolarHBondContact O-N 2.99Å
431	F	22.7	Very low	29.2	Very low	187 Å²	187	85.9 Å²	85.9	82%	0.82	40%	0.401	S	S	*	.			trans	-146.1	138.4	175.1	-68.3	-77.7	0	0	0	116
432	P	23.8	Very low	29.2	Very low	85 Å²	85	85.8 Å²	85.8	55%	0.552	40%	0.404	S	S	*	.			trans	-68	129.6	-180	25.9	-32.9	0	0	0	112.9	R434	P432-R434 PolarHBondContact O-N 3.05Å; P432-R434 VanDerWaalsContact O-N 3.1Å
433	T	25.7	Very low	29.5	Very low	26 Å²	26	86.1 Å²	86.1	16%	0.16	40%	0.401	C	S	.	.			trans	-76.4	93	175.8	-19.2	0	0	0	0	111.3	R394 F435	R394-T433 HydrophobicContact CG-CG2 4.48Å; R394-T433 VanDerWaalsContact NE-CG2 3.33Å; R394-T433 VanDerWaalsContact NH2-CG2 3.29Å; T433-F435 HydrophobicContact CG2-CE2 3.9Å; T433-F435 HydrophobicContact CG2-CZ 4.09Å
434	R	24.7	Very low	30.1	Very low	209 Å²	209	87.3 Å²	87.3	79%	0.789	41%	0.409	S	S	*	.			trans	-87.2	115.5	169.3	-69.2	-177.6	-176.4	175.7	2.6	110.1	P432	P432-R434 PolarHBondContact O-N 3.05Å; P432-R434 VanDerWaalsContact O-N 3.1Å
435	F	24.6	Very low	30.7	Very low	22 Å²	22	88.1 Å²	88.1	10%	0.096	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.4	166	-66.6	-86	0	0	0	109.1	R394 S423 T433 F475 S476	R394-F435 HydrophobicContact CB-CE1 4.42Å; R394-F435 HydrophobicContact CG-CD1 4.39Å; R394-F435 HydrophobicContact CG-CE1 3.76Å; R394-F435 HydrophobicContact CG-CZ 4.25Å; S423-F435 WeakPolarHBondContact O-CE1 3.3Å; S423-F435 VanDerWaalsContact O-CZ 3.3Å; S423-F435 WeakPolarHBondContact O-CZ 3.5Å; T433-F435 HydrophobicContact CG2-CE2 3.9Å; T433-F435 HydrophobicContact CG2-CZ 4.09Å; F435-F475 HydrophobicContact CD2-CE1 4.29Å; F435-S476 PolarHBondContact O-N 2.77Å; F435-S476 PolarHBondContact O-OG 3.36Å
436	S	27.8	Very low	31.4	Very low	58 Å²	58	86.5 Å²	86.5	41%	0.406	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	82.3	-177.9	69.6	0	0	0	0	112.5	L395 S476	L395-S436 CarbonylContact O-C 3.54Å; S436-S476 WeakPolarHBondContact CA-O 3.34Å
437	G	29.1	Very low	32.5	Very low	23 Å²	23	82.9 Å²	82.9	24%	0.237	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.9	177.7	0	0	0	0	0	113.3	G477 R478	G437-G477 CarbonylContact O-C 3.6Å; G437-G477 VanDerWaalsContact O-CA 3.27Å; G437-G477 WeakPolarHBondContact O-CA 3.39Å; G437-R478 PolarHBondContact O-N 3.3Å
438	R	29.6	Very low	33.7	Very low	80 Å²	80	72.3 Å²	72.3	30%	0.302	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.2	162.8	-54.2	-173.3	-170.6	-175	1.8	107.9	G397 R398 R399 Y440 R478	G397-R438 PolarHBondContact O-N 2.94Å; R398-R438 CarbonylContact C-O 3.56Å; R398-R438 WeakPolarHBondContact CA-O 3.43Å; R398-R438 HydrophobicContact CG-CB 4.31Å; R399-R438 PolarHBondContact N-O 3.16Å; R438-Y440 HydrophobicContact CB-CD2 4.23Å; R438-Y440 HydrophobicContact CB-CE2 3.47Å; R438-Y440 VanDerWaalsContact CB-CE2 3.47Å; R438-Y440 WeakPolarHBondContact CD-OH 3.3Å; R438-Y440 HydrophobicContact CG-CE2 4.46Å; R438-R478 CarbonylContact C-O 3.47Å; R438-R478 WeakPolarHBondContact CA-O 3.41Å; R438-R478 HydrophobicContact CG-CB 4.34Å
439	K	38.4	Very low	35.2	Very low	51 Å²	51	69.9 Å²	69.9	22%	0.222	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.2	173.6	-66.4	-175.3	179.3	-171.9	0	106.9	R399 S420 R478 K479 Y480	R399-K439 CarbonylContact O-C 3.58Å; S420-K439 VanDerWaalsContact CB-NZ 3.29Å; K439-R478 PolarHBondContact N-O 3.31Å; K439-K479 CarbonylContact O-C 3.4Å; K439-Y480 PolarHBondContact O-N 2.85Å
440	Y	32.1	Very low	36.6	Very low	52 Å²	52	62.6 Å²	62.6	20%	0.204	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.9	174.1	-59.9	-99.2	0	0	0	107.9	R399 Y400 G401 R438 Y480	R399-Y440 PolarHBondContact O-N 3.21Å; Y400-Y440 CarbonylContact C-O 3.59Å; Y400-Y440 WeakPolarHBondContact CA-O 3.38Å; Y400-Y440 HydrophobicContact CD1-CD1 4.37Å; Y400-Y440 AromaticContact CD1-CD2 3.54Å; Y400-Y440 HydrophobicContact CD1-CD2 3.54Å; Y400-Y440 HydrophobicContact CD1-CE2 4.31Å; Y400-Y440 AromaticContact CD1-CG 3.59Å; Y400-Y440 HydrophobicContact CD1-CG 3.59Å; Y400-Y440 HydrophobicContact CE1-CD1 4.01Å; Y400-Y440 AromaticContact CE1-CD2 3.22Å; Y400-Y440 HydrophobicContact CE1-CD2 3.22Å; Y400-Y440 HydrophobicContact CE1-CE1 4.29Å; Y400-Y440 AromaticContact CE1-CE2 3.55Å; Y400-Y440 HydrophobicContact CE1-CE2 3.55Å; Y400-Y440 AromaticContact CE1-CG 3.5Å; Y400-Y440 HydrophobicContact CE1-CG 3.5Å; Y400-Y440 HydrophobicContact CE2-CD2 4.32Å; Y400-Y440 HydrophobicContact CE2-CE2 4.46Å; Y400-Y440 HydrophobicContact CG-CD2 4.19Å; Y400-Y440 AromaticContact CZ-CD2 3.67Å; Y400-Y440 AromaticContact CZ-CE2 3.63Å; G401-Y440 PolarHBondContact N-O 3.21Å; R438-Y440 HydrophobicContact CB-CD2 4.23Å; R438-Y440 HydrophobicContact CB-CE2 3.47Å; R438-Y440 VanDerWaalsContact CB-CE2 3.47Å; R438-Y440 WeakPolarHBondContact CD-OH 3.3Å; R438-Y440 HydrophobicContact CG-CE2 4.46Å; Y440-Y480 CarbonylContact C-O 3.56Å; Y440-Y480 VanDerWaalsContact CA-O 3.25Å; Y440-Y480 WeakPolarHBondContact CA-O 3.29Å; Y440-Y480 AromaticContact CD1-CD1 3.91Å; Y440-Y480 HydrophobicContact CD1-CD1 3.91Å; Y440-Y480 AromaticContact CD1-CD2 3.37Å; Y440-Y480 HydrophobicContact CD1-CD2 3.37Å; Y440-Y480 HydrophobicContact CD1-CE2 4.09Å; Y440-Y480 AromaticContact CD1-CG 3.29Å; Y440-Y480 HydrophobicContact CD1-CG 3.29Å; Y440-Y480 HydrophobicContact CD2-CD2 4.24Å; Y440-Y480 AromaticContact CE1-CD1 3.6Å; Y440-Y480 HydrophobicContact CE1-CD1 3.6Å; Y440-Y480 AromaticContact CE1-CD2 3.1Å; Y440-Y480 HydrophobicContact CE1-CD2 3.1Å; Y440-Y480 AromaticContact CE1-CE1 3.83Å; Y440-Y480 HydrophobicContact CE1-CE1 3.83Å; Y440-Y480 AromaticContact CE1-CE2 3.32Å; Y440-Y480 HydrophobicContact CE1-CE2 3.32Å; Y440-Y480 AromaticContact CE1-CG 3.28Å; Y440-Y480 HydrophobicContact CE1-CG 3.28Å; Y440-Y480 AromaticContact CE1-CZ 3.73Å; Y440-Y480 HydrophobicContact CE2-CD2 4.04Å; Y440-Y480 HydrophobicContact CE2-CE2 4.14Å; Y440-Y480 AromaticContact CG-CD2 3.92Å; Y440-Y480 HydrophobicContact CG-CD2 3.92Å; Y440-Y480 HydrophobicContact CG-CG 4.13Å; Y440-Y480 AromaticContact CZ-CD2 3.46Å; Y440-Y480 VanDerWaalsContact CZ-CD2 3.46Å; Y440-Y480 AromaticContact CZ-CE2 3.33Å; Y440-Y480 AromaticContact CZ-CZ 3.96Å; Y440-Y480 WeakPolarHBondContact OH-CE2 3.01Å
441	G	38.4	Very low	38.1	Very low	29 Å²	29	63.6 Å²	63.6	30%	0.299	32%	0.324	S	S	.	.			trans	-154.4	115.9	163.1	0	0	0	0	0	113.8	G401 Y480 G481	G401-G441 CarbonylContact O-C 3.52Å; G401-G441 WeakPolarHBondContact O-CA 3.27Å; G441-Y480 PolarHBondContact N-O 2.87Å; G441-G481 CarbonylContact O-C 3.47Å; G441-G481 WeakPolarHBondContact O-CA 3.42Å
442	S	38.1	Very low	39.8	Very low	38 Å²	38	54.8 Å²	54.8	27%	0.266	29%	0.286	S	S	.	.			trans	-89.3	138.4	170.6	46.6	0	0	0	0	109.3	G401 S402 K403 S482	G401-S442 PolarHBondContact O-N 2.76Å; S402-S442 CarbonylContact C-O 3.59Å; K403-S442 PolarHBondContact N-O 3.42Å; S442-S482 CarbonylContact C-O 3.55Å; S442-S482 WeakPolarHBondContact CA-O 3.4Å
443	L	43.2	Very low	41.6	Very low	25 Å²	25	51.6 Å²	51.6	13%	0.131	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.9	169.1	-92.5	143.6	0	0	0	106.1	K403 I416 I456 S482 L483 S484	K403-L443 HydrophobicContact CB-CD2 3.79Å; K403-L443 HydrophobicContact CB-CG 4.06Å; K403-L443 HydrophobicContact CD-CD2 3.4Å; K403-L443 HydrophobicContact CD-CG 3.85Å; K403-L443 HydrophobicContact CG-CD2 4.2Å; K403-L443 HydrophobicContact CG-CG 4.4Å; K403-L443 CarbonylContact O-C 3.5Å; K403-L443 WeakPolarHBondContact O-CA 3.41Å; I416-L443 HydrophobicContact CD1-CD2 3.6Å; L443-I456 HydrophobicContact CD1-CD1 4.49Å; L443-S482 PolarHBondContact N-O 3.18Å; L443-L483 HydrophobicContact CB-CD2 3.57Å; L443-L483 HydrophobicContact CB-CG 4.1Å; L443-L483 HydrophobicContact CD1-CD2 4.07Å; L443-L483 HydrophobicContact CG-CD2 4.37Å; L443-L483 CarbonylContact O-C 3.6Å; L443-L483 VanDerWaalsContact O-CA 3.22Å; L443-L483 WeakPolarHBondContact O-CA 3.31Å; L443-S484 PolarHBondContact O-N 2.96Å
444	S	41	Very low	43.1	Very low	33 Å²	33	50.4 Å²	50.4	23%	0.231	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.8	-177.9	64	0	0	0	0	115	K403 S404 G405 S484	K403-S444 PolarHBondContact O-N 2.99Å; K403-S444 PolarHBondContact O-OG 3.49Å; S404-S444 CarbonylContact C-O 3.59Å; S404-S444 WeakPolarHBondContact CA-O 3.44Å; G405-S444 PolarHBondContact N-O 3.07Å; S444-S484 CarbonylContact C-O 3.58Å; S444-S484 WeakPolarHBondContact CA-O 3.43Å; S444-S484 VanDerWaalsContact CB-O 3.28Å; S444-S484 WeakPolarHBondContact CB-O 3.38Å; S444-S484 WeakPolarHBondContact CB-OG 3.14Å
445	G	42.5	Very low	44.6	Very low	28 Å²	28	43.1 Å²	43.1	29%	0.289	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	64.7	55.5	176.1	0	0	0	0	0	112	G405 L406 S484 G485	G405-G445 CarbonylContact C-O 3.52Å; G405-G445 VanDerWaalsContact CA-O 3.26Å; G405-G445 WeakPolarHBondContact CA-O 3.32Å; G405-G445 PolarHBondContact N-O 2.91Å; L406-G445 PolarHBondContact N-O 3.33Å; L406-G445 VanDerWaalsContact O-O 3.1Å; G445-S484 PolarHBondContact N-O 2.94Å; G445-G485 CarbonylContact C-O 3.51Å; G445-G485 VanDerWaalsContact CA-O 3.26Å; G445-G485 WeakPolarHBondContact CA-O 3.39Å; G445-G485 PolarHBondContact N-O 2.99Å
446	L	52.2	Low	45.9	Very low	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	96.3	166.9	-47.4	-177.5	0	0	0	106.2	L406 I454 G485 L486 S487	L406-L446 HydrophobicContact CB-CD2 3.45Å; L406-L446 VanDerWaalsContact CB-CD2 3.45Å; L406-L446 HydrophobicContact CD1-CD2 3.37Å; L406-L446 HydrophobicContact CG-CD2 3.46Å; L406-L446 VanDerWaalsContact CG-CD2 3.46Å; L406-L446 VanDerWaalsContact O-CA 3.26Å; L406-L446 WeakPolarHBondContact O-CA 3.44Å; L446-I454 HydrophobicContact CB-CD1 3.85Å; L446-I454 HydrophobicContact CD1-CD1 3.52Å; L446-I454 HydrophobicContact CD1-CG2 4.24Å; L446-I454 HydrophobicContact CG-CD1 4.23Å; L446-G485 PolarHBondContact N-O 2.94Å; L446-L486 HydrophobicContact CB-CD2 3.52Å; L446-L486 HydrophobicContact CD1-CD2 3.4Å; L446-L486 HydrophobicContact CG-CD2 3.37Å; L446-L486 CarbonylContact O-C 3.54Å; L446-L486 VanDerWaalsContact O-CA 3.31Å; L446-L486 WeakPolarHBondContact O-CA 2.84Å; L446-S487 PolarHBondContact O-N 3.32Å
447	S	49.8	Very low	47	Very low	40 Å²	40	41.5 Å²	41.5	28%	0.28	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.5	-179.7	54.3	0	0	0	0	110.6	L406 S407 G408 S487	L406-S447 PolarHBondContact O-N 3.22Å; S407-S447 VanDerWaalsContact CA-O 3.3Å; S407-S447 WeakPolarHBondContact CA-O 3.29Å; S407-S447 WeakPolarHBondContact CB-OG 3.35Å; S407-S447 PolarHBondContact OG-O 2.87Å; S407-S447 PolarHBondContact OG-OG 2.95Å; G408-S447 PolarHBondContact N-O 2.79Å; G408-S447 VanDerWaalsContact N-O 3.1Å; S447-S487 VanDerWaalsContact CA-O 3.26Å; S447-S487 WeakPolarHBondContact CA-O 3.1Å
448	G	50.9	Low	48.1	Very low	8 Å²	8	42.1 Å²	42.1	8%	0.082	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	136.1	175.2	0	0	0	0	0	114	G408 S487 G488 Q492	G408-G448 VanDerWaalsContact O-CA 3.29Å; G408-G448 WeakPolarHBondContact O-CA 2.92Å; G448-S487 PolarHBondContact N-O 2.91Å; G448-S487 VanDerWaalsContact N-O 3.11Å; G448-G488 WeakPolarHBondContact O-CA 3.34Å; G448-Q492 PolarHBondContact O-NE2 3.36Å
449	E	55.5	Low	48.8	Very low	75 Å²	75	40 Å²	40	35%	0.35	21%	0.214	S	C	.	.	S	Bend	trans	-69.9	-42.2	-176.8	-66.8	164.8	-168.4	0	0	111.1	K409 N490	K409-E449 WeakPolarHBondContact CE-OE1 3.27Å; E449-N490 WeakPolarHBondContact O-CB 3.33Å; E449-N490 PolarHBondContact O-N 2.98Å; E449-N490 VanDerWaalsContact O-N 3.11Å; E449-N490 PolarHBondContact O-ND2 2.88Å
450	N	54.9	Low	49.2	Very low	57 Å²	57	38.8 Å²	38.8	31%	0.305	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-128.8	110.7	-165.1	-83.7	-39.8	0	0	0	116.1	N410 G411 Q452 N490	N410-N450 WeakPolarHBondContact OD1-CB 3.09Å; N410-N450 PolarHBondContact OD1-ND2 2.64Å; G411-N450 PolarHBondContact N-O 3.29Å; G411-N450 VanDerWaalsContact N-O 3.15Å; N450-Q452 PolarHBondContact O-N 2.87Å; N450-N490 PolarHBondContact OD1-ND2 2.6Å
451	R	55	Low	49.6	Very low	207 Å²	207	39.9 Å²	39.9	78%	0.781	22%	0.221	S	C	*	.			trans	37.2	44.5	163	-68.6	-174.6	177.6	167.6	1.5	115.8	N490	R451-N490 WeakPolarHBondContact CA-O 3.5Å; R451-N490 WeakPolarHBondContact CG-O 3.44Å; R451-N490 PolarHBondContact N-O 3.27Å
452	Q	59.2	Low	49.6	Very low	2 Å²	2	40.1 Å²	40.1	1%	0.009	22%	0.224	C	C	.	.			trans	-72.3	142.9	-179.9	-73.1	172	5.2	0	0	111.6	G408 Q412 N450 R493	G408-Q452 PolarHBondContact O-NE2 2.81Å; Q412-Q452 HydrophobicContact CB-CG 4.48Å; N450-Q452 PolarHBondContact O-N 2.87Å; Q452-R493 PolarHBondContact O-N 2.9Å
453	S	60.9	Low	49.3	Very low	18 Å²	18	40.2 Å²	40.2	13%	0.126	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.8	174	-64.9	0	0	0	0	110.6	Q412 R413 I414 R493	Q412-S453 PolarHBondContact O-N 2.97Å; R413-S453 WeakPolarHBondContact CA-O 3.41Å; I414-S453 PolarHBondContact N-O 3.28Å; I414-S453 VanDerWaalsContact N-O 3.13Å; S453-R493 CarbonylContact C-O 3.55Å; S453-R493 VanDerWaalsContact CA-O 3.25Å; S453-R493 WeakPolarHBondContact CA-O 3.48Å
454	I	57	Low	48.8	Very low	1 Å²	1	42 Å²	42	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.4	-178.5	-53.6	179.4	0	0	0	108.3	I414 L446 I456 R493 I494 Y495	I414-I454 HydrophobicContact CB-CG2 4.46Å; L446-I454 HydrophobicContact CB-CD1 3.85Å; L446-I454 HydrophobicContact CD1-CD1 3.52Å; L446-I454 HydrophobicContact CD1-CG2 4.24Å; L446-I454 HydrophobicContact CG-CD1 4.23Å; I454-I456 HydrophobicContact CG2-CD1 4.45Å; I454-I456 HydrophobicContact CG2-CG1 4.15Å; I454-R493 PolarHBondContact N-O 2.94Å; I454-I494 HydrophobicContact CB-CG1 4.49Å; I454-I494 CarbonylContact O-C 3.48Å; I454-I494 WeakPolarHBondContact O-CA 3.27Å; I454-Y495 PolarHBondContact O-N 2.71Å
455	Y	56.5	Low	48.1	Very low	56 Å²	56	42.9 Å²	42.9	22%	0.22	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.5	180	-60.9	-93.2	0	0	0	109.5	I414 Y415 I416 Y495	I414-Y455 PolarHBondContact O-N 3.26Å; Y415-Y455 CarbonylContact C-O 3.55Å; Y415-Y455 WeakPolarHBondContact CA-O 3.27Å; Y415-Y455 AromaticContact CD1-CD2 3.74Å; Y415-Y455 HydrophobicContact CD1-CD2 3.74Å; Y415-Y455 AromaticContact CD1-CG 3.77Å; Y415-Y455 HydrophobicContact CD1-CG 3.77Å; Y415-Y455 HydrophobicContact CE1-CD1 4.34Å; Y415-Y455 AromaticContact CE1-CD2 3.37Å; Y415-Y455 HydrophobicContact CE1-CD2 3.37Å; Y415-Y455 AromaticContact CE1-CE2 3.89Å; Y415-Y455 HydrophobicContact CE1-CE2 3.89Å; Y415-Y455 AromaticContact CE1-CG 3.64Å; Y415-Y455 HydrophobicContact CE1-CG 3.64Å; Y415-Y455 HydrophobicContact CG-CD2 4.49Å; Y415-Y455 AromaticContact CZ-CD2 3.9Å; I416-Y455 PolarHBondContact N-O 2.95Å; Y455-Y495 CarbonylContact C-O 3.51Å; Y455-Y495 WeakPolarHBondContact CA-O 3.22Å; Y455-Y495 AromaticContact CD1-CD2 3.65Å; Y455-Y495 HydrophobicContact CD1-CD2 3.65Å; Y455-Y495 AromaticContact CD1-CG 3.75Å; Y455-Y495 HydrophobicContact CD1-CG 3.75Å; Y455-Y495 HydrophobicContact CE1-CD1 4.29Å; Y455-Y495 AromaticContact CE1-CD2 3.28Å; Y455-Y495 HydrophobicContact CE1-CD2 3.28Å; Y455-Y495 AromaticContact CE1-CE2 3.72Å; Y455-Y495 HydrophobicContact CE1-CE2 3.72Å; Y455-Y495 AromaticContact CE1-CG 3.6Å; Y455-Y495 HydrophobicContact CE1-CG 3.6Å; Y455-Y495 HydrophobicContact CE2-CD2 4.32Å; Y455-Y495 HydrophobicContact CG-CD2 4.3Å; Y455-Y495 AromaticContact CZ-CD2 3.66Å; Y455-Y495 AromaticContact CZ-CE2 3.74Å
456	I	52.4	Low	47.2	Very low	11 Å²	11	51.8 Å²	51.8	6%	0.056	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.9	178.5	-54.5	177.5	0	0	0	107.8	I416 L443 I454 V458 L483 Y495 I496 T497	I416-I456 HydrophobicContact CB-CG1 4.41Å; I416-I456 HydrophobicContact CD1-CG1 4.49Å; I416-I456 CarbonylContact O-C 3.58Å; I416-I456 WeakPolarHBondContact O-CA 3.4Å; L443-I456 HydrophobicContact CD1-CD1 4.49Å; I454-I456 HydrophobicContact CG2-CD1 4.45Å; I454-I456 HydrophobicContact CG2-CG1 4.15Å; I456-V458 HydrophobicContact CG2-CG2 4.34Å; I456-L483 HydrophobicContact CD1-CD1 4.42Å; I456-L483 HydrophobicContact CD1-CD2 3.77Å; I456-Y495 PolarHBondContact N-O 3.27Å; I456-I496 HydrophobicContact CB-CG1 4.41Å; I456-I496 HydrophobicContact CD1-CG1 4.4Å; I456-I496 CarbonylContact O-C 3.58Å; I456-I496 WeakPolarHBondContact O-CA 3.33Å; I456-T497 PolarHBondContact O-N 2.8Å
457	T	51.5	Low	45.9	Very low	36 Å²	36	57.3 Å²	57.3	22%	0.221	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.2	175.5	-59.2	0	0	0	0	110.2	I416 T417 V418 N459 T497	I416-T457 PolarHBondContact O-N 3.41Å; T417-T457 CarbonylContact C-O 3.49Å; T417-T457 WeakPolarHBondContact CA-O 3.42Å; V418-T457 PolarHBondContact N-O 3.17Å; T457-N459 WeakPolarHBondContact CG2-OD1 3.27Å; T457-T497 CarbonylContact C-O 3.49Å; T457-T497 VanDerWaalsContact CA-O 3.27Å; T457-T497 WeakPolarHBondContact CA-O 3.28Å
458	V	50.4	Low	44.7	Very low	36 Å²	36	62.8 Å²	62.8	22%	0.218	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	110.3	176.8	-176.3	0	0	0	0	108.8	V418 I456 T497 V498 N499	V418-V458 HydrophobicContact CB-CG2 4.4Å; V418-V458 CarbonylContact O-C 3.51Å; V418-V458 WeakPolarHBondContact O-CA 3.34Å; I456-V458 HydrophobicContact CG2-CG2 4.34Å; V458-T497 PolarHBondContact N-O 2.98Å; V458-V498 HydrophobicContact CB-CG1 4.42Å; V458-V498 HydrophobicContact CB-CG2 4.33Å; V458-V498 CarbonylContact O-C 3.51Å; V458-V498 WeakPolarHBondContact O-CA 3.48Å; V458-N499 PolarHBondContact O-N 2.85Å
459	N	45.9	Very low	43.3	Very low	36 Å²	36	71.7 Å²	71.7	19%	0.193	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.9	178.5	-57.5	-41.2	0	0	0	110.5	V418 N419 S420 T457 N499	V418-N459 PolarHBondContact O-N 3.11Å; N419-N459 WeakPolarHBondContact OD1-CB 3.03Å; N419-N459 PolarHBondContact OD1-ND2 2.77Å; S420-N459 PolarHBondContact N-O 2.89Å; S420-N459 PolarHBondContact OG-O 2.78Å; T457-N459 WeakPolarHBondContact CG2-OD1 3.27Å; N459-N499 WeakPolarHBondContact OD1-CB 2.99Å; N459-N499 PolarHBondContact OD1-ND2 3.5Å
460	S	45.2	Very low	41.8	Very low	25 Å²	25	75.9 Å²	75.9	18%	0.175	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	119.3	173.7	51.5	0	0	0	0	112.2	S420 N499 S500 D501	S420-S460 WeakPolarHBondContact O-CA 2.94Å; S460-N499 PolarHBondContact N-O 2.8Å; S460-N499 PolarHBondContact OG-O 2.75Å; S460-S500 WeakPolarHBondContact O-CA 3.25Å; S460-D501 PolarHBondContact O-N 2.81Å
461	D	40.5	Very low	40.3	Very low	74 Å²	74	81 Å²	81	40%	0.396	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.5	-179.5	-57.8	-4.3	0	0	0	109.4	S420 G422	S420-D461 PolarHBondContact O-N 2.8Å; G422-D461 PolarHBondContact N-O 2.74Å
462	G	39.2	Very low	38.8	Very low	34 Å²	34	75 Å²	75	35%	0.351	38%	0.378	S	S	.	.			trans	-91	130.1	172.2	0	0	0	0	0	110.9	D501 S503	G462-D501 WeakPolarHBondContact CA-O 3.29Å; G462-D501 PolarHBondContact N-O 2.75Å; G462-S503 PolarHBondContact O-OG 3.31Å
463	S	31.5	Very low	37.2	Very low	40 Å²	40	77.3 Å²	77.3	28%	0.28	39%	0.392	S	S	.	.			trans	-107	151.7	177.4	43	0	0	0	0	112.8	G422 S423	G422-S463 WeakPolarHBondContact O-CB 3.33Å; G422-S463 PolarHBondContact O-OG 2.84Å; S423-S463 WeakPolarHBondContact CA-OG 3.48Å
464	S	32.3	Very low	35.5	Very low	64 Å²	64	84.7 Å²	84.7	45%	0.448	42%	0.417	S	S	.	.			trans	-85.5	162.1	-171	57.9	0	0	0	0	114.9
465	S	27.1	Very low	33.9	Very low	51 Å²	51	87.7 Å²	87.7	36%	0.357	43%	0.43	S	S	.	.			trans	-133	125	168.5	58.2	0	0	0	0	110.6
466	Y	24.1	Very low	32.5	Very low	215 Å²	215	87.5 Å²	87.5	84%	0.843	44%	0.437	S	S	*	.			trans	-102.1	107.8	159.5	-86.5	-88.9	0	0	0	107.4
467	H	24.8	Very low	31.2	Very low	117 Å²	117	88.2 Å²	88.2	54%	0.542	45%	0.448	S	S	.	.			trans	-155.7	132.6	157.2	-112.1	37.8	0	0	0	113
468	N	23.2	Very low	30.2	Very low	156 Å²	156	89.9 Å²	89.9	83%	0.834	45%	0.45	S	S	*	.	S	Bend	trans	-64.8	126.8	170.2	-104.9	-38.9	0	0	0	109.7
469	R	22.7	Very low	29.4	Very low	195 Å²	195	92.4 Å²	92.4	74%	0.736	46%	0.458	S	S	*	.	S	Bend	trans	95.9	112.3	171.3	-60.1	-176.1	-113	-163.2	-6.1	117.7	F471	R469-F471 VanDerWaalsContact O-CD2 3.25Å; R469-F471 WeakPolarHBondContact O-CD2 3.39Å; R469-F471 PolarHBondContact O-N 2.98Å
470	Y	24.5	Very low	28.8	Very low	163 Å²	163	93 Å²	93	64%	0.639	46%	0.458	S	S	*	.			trans	28.1	59.5	146.9	-52.4	-73.8	0	0	0	120.3	R509	Y470-R509 PolarHBondContact OH-NH2 3.4Å
471	F	22.3	Very low	28.4	Very low	163 Å²	163	93.4 Å²	93.4	72%	0.715	47%	0.466	S	S	*	.			trans	-142.7	130.1	163.4	-62.9	-73	0	0	0	113.8	R469	R469-F471 VanDerWaalsContact O-CD2 3.25Å; R469-F471 WeakPolarHBondContact O-CD2 3.39Å; R469-F471 PolarHBondContact O-N 2.98Å
472	S	24.2	Very low	28.3	Very low	83 Å²	83	91.9 Å²	91.9	58%	0.58	46%	0.461	S	S	*	.			trans	-75.6	120.5	-179.5	-48.6	0	0	0	0	113	R474	S472-R474 PolarHBondContact O-N 2.68Å
473	T	25.3	Very low	28.4	Very low	50 Å²	50	91.8 Å²	91.8	31%	0.307	45%	0.453	S	S	.	.			trans	-80.2	101.5	167.8	-43	0	0	0	0	109.7	F475	T473-F475 HydrophobicContact CG2-CE2 4.36Å
474	R	24.8	Very low	28.9	Very low	173 Å²	173	91.5 Å²	91.5	65%	0.653	45%	0.45	S	S	*	.			trans	-93.2	111.5	174.5	-78	-173.2	-168.6	178	5.4	111.2	S472 S476	S472-R474 PolarHBondContact O-N 2.68Å; R474-S476 PolarHBondContact O-N 2.96Å
475	F	23.7	Very low	29.4	Very low	63 Å²	63	89.9 Å²	89.9	28%	0.276	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	104.4	161.1	-75.5	-82.4	0	0	0	109.4	F435 T473 S516	F435-F475 HydrophobicContact CD2-CE1 4.29Å; T473-F475 HydrophobicContact CG2-CE2 4.36Å; F475-S516 PolarHBondContact O-OG 3.06Å
476	S	26.3	Very low	30.5	Very low	52 Å²	52	87.5 Å²	87.5	36%	0.364	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.2	172.8	76.5	0	0	0	0	109.8	F435 S436 R474	F435-S476 PolarHBondContact O-N 2.77Å; F435-S476 PolarHBondContact O-OG 3.36Å; S436-S476 WeakPolarHBondContact CA-O 3.34Å; R474-S476 PolarHBondContact O-N 2.96Å
477	G	27	Very low	31.7	Very low	27 Å²	27	79.5 Å²	79.5	28%	0.278	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	121.1	-178.3	0	0	0	0	0	111.4	G437 K479 G517 R518	G437-G477 CarbonylContact O-C 3.6Å; G437-G477 VanDerWaalsContact O-CA 3.27Å; G437-G477 WeakPolarHBondContact O-CA 3.39Å; G477-K479 PolarHBondContact O-N 2.97Å; G477-G517 WeakPolarHBondContact O-CA 3.4Å; G477-R518 PolarHBondContact O-N 2.97Å
478	R	29.5	Very low	33	Very low	70 Å²	70	74.3 Å²	74.3	26%	0.264	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.3	172.8	-52.6	-167.3	-174.8	-173.4	-0.6	107.8	G437 R438 K439 Y480 R518	G437-R478 PolarHBondContact O-N 3.3Å; R438-R478 CarbonylContact C-O 3.47Å; R438-R478 WeakPolarHBondContact CA-O 3.41Å; R438-R478 HydrophobicContact CG-CB 4.34Å; K439-R478 PolarHBondContact N-O 3.31Å; R478-Y480 HydrophobicContact CB-CD2 3.98Å; R478-Y480 HydrophobicContact CB-CE2 3.27Å; R478-Y480 WeakPolarHBondContact CD-OH 3.1Å; R478-Y480 HydrophobicContact CG-CE2 4.26Å; R478-Y480 PolarHBondContact NH1-OH 2.9Å; R478-R518 CarbonylContact C-O 3.53Å; R478-R518 VanDerWaalsContact CA-O 3.28Å; R478-R518 WeakPolarHBondContact CA-O 3.28Å; R478-R518 HydrophobicContact CB-CB 4.31Å; R478-R518 HydrophobicContact CG-CB 4Å; R478-R518 HydrophobicContact CG-CG 4.27Å
479	K	34.4	Very low	34.4	Very low	90 Å²	90	71.7 Å²	71.7	39%	0.391	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.5	175.6	-71	-175.2	-178.6	-176.2	0	107.2	K439 G477 R518 K519 Y520	K439-K479 CarbonylContact O-C 3.4Å; G477-K479 PolarHBondContact O-N 2.97Å; K479-R518 PolarHBondContact N-O 3.11Å; K479-K519 CarbonylContact O-C 3.47Å; K479-K519 WeakPolarHBondContact O-CA 3.31Å; K479-Y520 PolarHBondContact O-N 3.11Å
480	Y	32.2	Very low	36	Very low	48 Å²	48	64.9 Å²	64.9	19%	0.188	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.9	175.4	-59	-102.6	0	0	0	108.3	K439 Y440 G441 R478 Y520	K439-Y480 PolarHBondContact O-N 2.85Å; Y440-Y480 CarbonylContact C-O 3.56Å; Y440-Y480 VanDerWaalsContact CA-O 3.25Å; Y440-Y480 WeakPolarHBondContact CA-O 3.29Å; Y440-Y480 AromaticContact CD1-CD1 3.91Å; Y440-Y480 HydrophobicContact CD1-CD1 3.91Å; Y440-Y480 AromaticContact CD1-CD2 3.37Å; Y440-Y480 HydrophobicContact CD1-CD2 3.37Å; Y440-Y480 HydrophobicContact CD1-CE2 4.09Å; Y440-Y480 AromaticContact CD1-CG 3.29Å; Y440-Y480 HydrophobicContact CD1-CG 3.29Å; Y440-Y480 HydrophobicContact CD2-CD2 4.24Å; Y440-Y480 AromaticContact CE1-CD1 3.6Å; Y440-Y480 HydrophobicContact CE1-CD1 3.6Å; Y440-Y480 AromaticContact CE1-CD2 3.1Å; Y440-Y480 HydrophobicContact CE1-CD2 3.1Å; Y440-Y480 AromaticContact CE1-CE1 3.83Å; Y440-Y480 HydrophobicContact CE1-CE1 3.83Å; Y440-Y480 AromaticContact CE1-CE2 3.32Å; Y440-Y480 HydrophobicContact CE1-CE2 3.32Å; Y440-Y480 AromaticContact CE1-CG 3.28Å; Y440-Y480 HydrophobicContact CE1-CG 3.28Å; Y440-Y480 AromaticContact CE1-CZ 3.73Å; Y440-Y480 HydrophobicContact CE2-CD2 4.04Å; Y440-Y480 HydrophobicContact CE2-CE2 4.14Å; Y440-Y480 AromaticContact CG-CD2 3.92Å; Y440-Y480 HydrophobicContact CG-CD2 3.92Å; Y440-Y480 HydrophobicContact CG-CG 4.13Å; Y440-Y480 AromaticContact CZ-CD2 3.46Å; Y440-Y480 VanDerWaalsContact CZ-CD2 3.46Å; Y440-Y480 AromaticContact CZ-CE2 3.33Å; Y440-Y480 AromaticContact CZ-CZ 3.96Å; Y440-Y480 WeakPolarHBondContact OH-CE2 3.01Å; G441-Y480 PolarHBondContact N-O 2.87Å; R478-Y480 HydrophobicContact CB-CD2 3.98Å; R478-Y480 HydrophobicContact CB-CE2 3.27Å; R478-Y480 WeakPolarHBondContact CD-OH 3.1Å; R478-Y480 HydrophobicContact CG-CE2 4.26Å; R478-Y480 PolarHBondContact NH1-OH 2.9Å; Y480-Y520 CarbonylContact C-O 3.49Å; Y480-Y520 WeakPolarHBondContact CA-O 3.35Å; Y480-Y520 AromaticContact CD1-CD2 3.44Å; Y480-Y520 HydrophobicContact CD1-CD2 3.44Å; Y480-Y520 VanDerWaalsContact CD1-CD2 3.44Å; Y480-Y520 HydrophobicContact CD1-CE2 4.38Å; Y480-Y520 AromaticContact CD1-CG 3.57Å; Y480-Y520 HydrophobicContact CD1-CG 3.57Å; Y480-Y520 HydrophobicContact CE1-CD1 4.25Å; Y480-Y520 AromaticContact CE1-CD2 2.95Å; Y480-Y520 HydrophobicContact CE1-CD2 2.95Å; Y480-Y520 AromaticContact CE1-CE2 3.49Å; Y480-Y520 HydrophobicContact CE1-CE2 3.49Å; Y480-Y520 VanDerWaalsContact CE1-CE2 3.49Å; Y480-Y520 AromaticContact CE1-CG 3.4Å; Y480-Y520 HydrophobicContact CE1-CG 3.4Å; Y480-Y520 HydrophobicContact CE2-CD2 4.19Å; Y480-Y520 HydrophobicContact CG-CD2 4.17Å; Y480-Y520 HydrophobicContact CG-CG 4.5Å; Y480-Y520 AromaticContact CZ-CD2 3.38Å; Y480-Y520 AromaticContact CZ-CE2 3.58Å; Y480-Y520 WeakPolarHBondContact OH-CE2 3.13Å
481	G	36.9	Very low	37.5	Very low	34 Å²	34	58 Å²	58	35%	0.351	32%	0.32	S	S	.	.			trans	-168.1	122	165.2	0	0	0	0	0	113.2	G441 Y520 G521	G441-G481 CarbonylContact O-C 3.47Å; G441-G481 WeakPolarHBondContact O-CA 3.42Å; G481-Y520 PolarHBondContact N-O 3.16Å; G481-G521 WeakPolarHBondContact O-CA 3.4Å
482	S	37.8	Very low	39.3	Very low	42 Å²	42	50.2 Å²	50.2	29%	0.294	29%	0.286	S	S	.	.			trans	-103	133.5	177.4	33.1	0	0	0	0	109.7	S442 L443 S522	S442-S482 CarbonylContact C-O 3.55Å; S442-S482 WeakPolarHBondContact CA-O 3.4Å; L443-S482 PolarHBondContact N-O 3.18Å; S482-S522 CarbonylContact C-O 3.59Å; S482-S522 WeakPolarHBondContact CA-O 3.49Å; S482-S522 WeakPolarHBondContact CB-O 3.31Å
483	L	42.2	Very low	41.1	Very low	32 Å²	32	52.3 Å²	52.3	17%	0.168	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.1	171.8	-87.2	144.5	0	0	0	106.3	L443 I456 I496 S522 L523 S524	L443-L483 HydrophobicContact CB-CD2 3.57Å; L443-L483 HydrophobicContact CB-CG 4.1Å; L443-L483 HydrophobicContact CD1-CD2 4.07Å; L443-L483 HydrophobicContact CG-CD2 4.37Å; L443-L483 CarbonylContact O-C 3.6Å; L443-L483 VanDerWaalsContact O-CA 3.22Å; L443-L483 WeakPolarHBondContact O-CA 3.31Å; I456-L483 HydrophobicContact CD1-CD1 4.42Å; I456-L483 HydrophobicContact CD1-CD2 3.77Å; L483-I496 HydrophobicContact CD1-CD1 4.19Å; L483-S522 PolarHBondContact N-O 3.46Å; L483-L523 HydrophobicContact CB-CD1 3.37Å; L483-L523 HydrophobicContact CD1-CD1 4.34Å; L483-L523 HydrophobicContact CG-CD1 4.42Å; L483-L523 CarbonylContact O-C 3.53Å; L483-L523 VanDerWaalsContact O-CA 3.24Å; L483-L523 WeakPolarHBondContact O-CA 3.39Å; L483-S524 PolarHBondContact O-N 3.13Å
484	S	42.2	Very low	42.6	Very low	33 Å²	33	50.1 Å²	50.1	23%	0.231	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	146.7	-174.3	63	0	0	0	0	116.8	L443 S444 G445 S524	L443-S484 PolarHBondContact O-N 2.96Å; S444-S484 CarbonylContact C-O 3.58Å; S444-S484 WeakPolarHBondContact CA-O 3.43Å; S444-S484 VanDerWaalsContact CB-O 3.28Å; S444-S484 WeakPolarHBondContact CB-O 3.38Å; S444-S484 WeakPolarHBondContact CB-OG 3.14Å; G445-S484 PolarHBondContact N-O 2.94Å; S484-S524 CarbonylContact C-O 3.55Å; S484-S524 WeakPolarHBondContact CA-O 3.43Å; S484-S524 WeakPolarHBondContact CB-O 3.23Å; S484-S524 WeakPolarHBondContact CB-OG 3.26Å
485	G	42	Very low	44.1	Very low	30 Å²	30	44.4 Å²	44.4	31%	0.309	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.1	54.9	-179.4	0	0	0	0	0	111	G445 L446 S524 G525	G445-G485 CarbonylContact C-O 3.51Å; G445-G485 VanDerWaalsContact CA-O 3.26Å; G445-G485 WeakPolarHBondContact CA-O 3.39Å; G445-G485 PolarHBondContact N-O 2.99Å; L446-G485 PolarHBondContact N-O 2.94Å; G485-S524 PolarHBondContact N-O 2.86Å; G485-G525 CarbonylContact C-O 3.59Å; G485-G525 VanDerWaalsContact CA-O 3.27Å; G485-G525 WeakPolarHBondContact CA-O 3.3Å; G485-G525 PolarHBondContact N-O 3.17Å
486	L	50.5	Low	45.4	Very low	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	93.8	170.4	-39.7	-177.7	0	0	0	105.2	L446 I494 L523 G525 L526 S527 Q532	L446-L486 HydrophobicContact CB-CD2 3.52Å; L446-L486 HydrophobicContact CD1-CD2 3.4Å; L446-L486 HydrophobicContact CG-CD2 3.37Å; L446-L486 CarbonylContact O-C 3.54Å; L446-L486 VanDerWaalsContact O-CA 3.31Å; L446-L486 WeakPolarHBondContact O-CA 2.84Å; L486-I494 HydrophobicContact CB-CD1 4.25Å; L486-I494 HydrophobicContact CD1-CD1 3.35Å; L486-I494 HydrophobicContact CG-CD1 4.38Å; L486-L523 HydrophobicContact CD1-CD1 4.39Å; L486-G525 PolarHBondContact N-O 3.13Å; L486-L526 HydrophobicContact CB-CD2 3.44Å; L486-L526 VanDerWaalsContact CB-CD2 3.44Å; L486-L526 HydrophobicContact CD1-CD2 3.35Å; L486-L526 HydrophobicContact CG-CD2 3.39Å; L486-L526 WeakPolarHBondContact O-CA 3.24Å; L486-S527 PolarHBondContact O-N 3.44Å; L486-Q532 PolarHBondContact O-NE2 3.02Å
487	S	50	Low	46.6	Very low	47 Å²	47	41.8 Å²	41.8	33%	0.329	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128	-173.6	61	0	0	0	0	110.1	L446 S447 G448 Q492 S527	L446-S487 PolarHBondContact O-N 3.32Å; S447-S487 VanDerWaalsContact CA-O 3.26Å; S447-S487 WeakPolarHBondContact CA-O 3.1Å; G448-S487 PolarHBondContact N-O 2.91Å; G448-S487 VanDerWaalsContact N-O 3.11Å; S487-Q492 VanDerWaalsContact C-NE2 3.34Å; S487-Q492 PolarHBondContact O-NE2 2.79Å; S487-S527 VanDerWaalsContact CA-O 3.24Å; S487-S527 WeakPolarHBondContact CA-O 3.29Å
488	G	50.7	Low	47.7	Very low	8 Å²	8	42.5 Å²	42.5	8%	0.082	23%	0.231	C	C	.	.			trans	-154.8	140.3	174.6	0	0	0	0	0	112.2	G448 S527 G528	G448-G488 WeakPolarHBondContact O-CA 3.34Å; G488-S527 PolarHBondContact N-O 3.17Å; G488-G528 WeakPolarHBondContact O-CA 3.11Å
489	E	52.7	Low	48.5	Very low	101 Å²	101	41.2 Å²	41.2	47%	0.472	23%	0.229	S	C	.	.	S	Bend	trans	-66.1	-45.9	179.5	-67	169.1	-177.2	0	0	109.9	N530	E489-N530 WeakPolarHBondContact O-CB 3.4Å; E489-N530 PolarHBondContact O-N 3.19Å; E489-N530 PolarHBondContact O-ND2 2.77Å
490	N	57.9	Low	49	Very low	52 Å²	52	39 Å²	39	28%	0.278	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-110.7	64.1	-172.8	-60.6	-41.1	0	0	0	115.1	E449 N450 R451 N530	E449-N490 WeakPolarHBondContact O-CB 3.33Å; E449-N490 PolarHBondContact O-N 2.98Å; E449-N490 VanDerWaalsContact O-N 3.11Å; E449-N490 PolarHBondContact O-ND2 2.88Å; N450-N490 PolarHBondContact OD1-ND2 2.6Å; R451-N490 WeakPolarHBondContact CA-O 3.5Å; R451-N490 WeakPolarHBondContact CG-O 3.44Å; R451-N490 PolarHBondContact N-O 3.27Å; N490-N530 PolarHBondContact OD1-ND2 3.43Å
491	G	55.7	Low	49.5	Very low	18 Å²	18	40.4 Å²	40.4	19%	0.186	24%	0.236	C	C	.	.			trans	59.7	68.8	158	0	0	0	0	0	115.2	N530	G491-N530 VanDerWaalsContact CA-O 3.29Å; G491-N530 WeakPolarHBondContact CA-O 2.89Å; G491-N530 PolarHBondContact N-O 3.4Å
492	Q	58.7	Low	49.8	Very low	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.239	C	C	.	.			trans	-63.2	143.1	177.9	-64.1	-178.8	3.3	0	0	112	G448 S487 V533	G448-Q492 PolarHBondContact O-NE2 3.36Å; S487-Q492 VanDerWaalsContact C-NE2 3.34Å; S487-Q492 PolarHBondContact O-NE2 2.79Å; Q492-V533 PolarHBondContact O-N 2.84Å
493	R	62.3	Low	49.5	Very low	127 Å²	127	41.5 Å²	41.5	48%	0.479	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.8	172.5	-64.3	-172.7	-179.7	176.6	0.5	110.4	Q452 S453 I454 Y495 V533	Q452-R493 PolarHBondContact O-N 2.9Å; S453-R493 CarbonylContact C-O 3.55Å; S453-R493 VanDerWaalsContact CA-O 3.25Å; S453-R493 WeakPolarHBondContact CA-O 3.48Å; I454-R493 PolarHBondContact N-O 2.94Å; R493-Y495 HydrophobicContact CB-CE2 3.74Å; R493-Y495 WeakPolarHBondContact CD-OH 3.19Å; R493-V533 CarbonylContact C-O 3.56Å; R493-V533 VanDerWaalsContact CA-O 3.3Å; R493-V533 WeakPolarHBondContact CA-O 3.49Å; R493-V533 HydrophobicContact CG-CB 4.41Å
494	I	58	Low	49.1	Very low	4 Å²	4	42.3 Å²	42.3	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.6	-177.9	-57.2	164.2	0	0	0	108.8	I454 L486 I496 V533 I534 Y535	I454-I494 HydrophobicContact CB-CG1 4.49Å; I454-I494 CarbonylContact O-C 3.48Å; I454-I494 WeakPolarHBondContact O-CA 3.27Å; L486-I494 HydrophobicContact CB-CD1 4.25Å; L486-I494 HydrophobicContact CD1-CD1 3.35Å; L486-I494 HydrophobicContact CG-CD1 4.38Å; I494-I496 HydrophobicContact CG2-CD1 4.37Å; I494-I496 HydrophobicContact CG2-CG1 4.04Å; I494-V533 PolarHBondContact N-O 3.39Å; I494-I534 HydrophobicContact CB-CG1 4.44Å; I494-I534 HydrophobicContact CB-CG2 4.44Å; I494-I534 HydrophobicContact CD1-CG1 4.37Å; I494-I534 CarbonylContact O-C 3.52Å; I494-I534 WeakPolarHBondContact O-CA 3.47Å; I494-Y535 PolarHBondContact O-N 3.36Å
495	Y	56.3	Low	48.4	Very low	52 Å²	52	43.6 Å²	43.6	20%	0.204	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.9	177.6	-56.5	-93.3	0	0	0	109	I454 Y455 I456 R493 Y535	I454-Y495 PolarHBondContact O-N 2.71Å; Y455-Y495 CarbonylContact C-O 3.51Å; Y455-Y495 WeakPolarHBondContact CA-O 3.22Å; Y455-Y495 AromaticContact CD1-CD2 3.65Å; Y455-Y495 HydrophobicContact CD1-CD2 3.65Å; Y455-Y495 AromaticContact CD1-CG 3.75Å; Y455-Y495 HydrophobicContact CD1-CG 3.75Å; Y455-Y495 HydrophobicContact CE1-CD1 4.29Å; Y455-Y495 AromaticContact CE1-CD2 3.28Å; Y455-Y495 HydrophobicContact CE1-CD2 3.28Å; Y455-Y495 AromaticContact CE1-CE2 3.72Å; Y455-Y495 HydrophobicContact CE1-CE2 3.72Å; Y455-Y495 AromaticContact CE1-CG 3.6Å; Y455-Y495 HydrophobicContact CE1-CG 3.6Å; Y455-Y495 HydrophobicContact CE2-CD2 4.32Å; Y455-Y495 HydrophobicContact CG-CD2 4.3Å; Y455-Y495 AromaticContact CZ-CD2 3.66Å; Y455-Y495 AromaticContact CZ-CE2 3.74Å; I456-Y495 PolarHBondContact N-O 3.27Å; R493-Y495 HydrophobicContact CB-CE2 3.74Å; R493-Y495 WeakPolarHBondContact CD-OH 3.19Å; Y495-Y535 CarbonylContact C-O 3.47Å; Y495-Y535 WeakPolarHBondContact CA-O 3.4Å; Y495-Y535 AromaticContact CD1-CD2 3.55Å; Y495-Y535 HydrophobicContact CD1-CD2 3.55Å; Y495-Y535 HydrophobicContact CD1-CE2 4.41Å; Y495-Y535 AromaticContact CD1-CG 3.75Å; Y495-Y535 HydrophobicContact CD1-CG 3.75Å; Y495-Y535 HydrophobicContact CE1-CD1 4.49Å; Y495-Y535 AromaticContact CE1-CD2 3.21Å; Y495-Y535 HydrophobicContact CE1-CD2 3.21Å; Y495-Y535 AromaticContact CE1-CE2 3.63Å; Y495-Y535 HydrophobicContact CE1-CE2 3.63Å; Y495-Y535 AromaticContact CE1-CG 3.71Å; Y495-Y535 HydrophobicContact CE1-CG 3.71Å; Y495-Y535 HydrophobicContact CG-CD2 4.35Å; Y495-Y535 AromaticContact CZ-CD2 3.81Å; Y495-Y535 AromaticContact CZ-CE2 3.92Å
496	I	51.4	Low	47.5	Very low	25 Å²	25	51.9 Å²	51.9	13%	0.128	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.5	177.6	-54.7	178.5	0	0	0	107.7	I456 L483 I494 V498 Y535 I536 T537	I456-I496 HydrophobicContact CB-CG1 4.41Å; I456-I496 HydrophobicContact CD1-CG1 4.4Å; I456-I496 CarbonylContact O-C 3.58Å; I456-I496 WeakPolarHBondContact O-CA 3.33Å; L483-I496 HydrophobicContact CD1-CD1 4.19Å; I494-I496 HydrophobicContact CG2-CD1 4.37Å; I494-I496 HydrophobicContact CG2-CG1 4.04Å; I496-V498 HydrophobicContact CG2-CG2 4.34Å; I496-Y535 PolarHBondContact N-O 2.77Å; I496-I536 HydrophobicContact CB-CG1 4.42Å; I496-I536 HydrophobicContact CD1-CG1 4.41Å; I496-I536 CarbonylContact O-C 3.51Å; I496-I536 WeakPolarHBondContact O-CA 3.33Å; I496-T537 PolarHBondContact O-N 2.81Å
497	T	49.9	Very low	46.3	Very low	36 Å²	36	56.9 Å²	56.9	22%	0.221	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.2	175.5	-57.4	0	0	0	0	109.7	I456 T457 V458 N499 T537	I456-T497 PolarHBondContact O-N 2.8Å; T457-T497 CarbonylContact C-O 3.49Å; T457-T497 VanDerWaalsContact CA-O 3.27Å; T457-T497 WeakPolarHBondContact CA-O 3.28Å; V458-T497 PolarHBondContact N-O 2.98Å; T497-N499 WeakPolarHBondContact CG2-OD1 3Å; T497-T537 CarbonylContact C-O 3.53Å; T497-T537 VanDerWaalsContact CA-O 3.27Å; T497-T537 WeakPolarHBondContact CA-O 3.36Å
498	V	49.7	Very low	45.1	Very low	41 Å²	41	62.2 Å²	62.2	25%	0.248	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.3	175.4	-176.9	0	0	0	0	108.3	V458 I496 T537 M538 N539	V458-V498 HydrophobicContact CB-CG1 4.42Å; V458-V498 HydrophobicContact CB-CG2 4.33Å; V458-V498 CarbonylContact O-C 3.51Å; V458-V498 WeakPolarHBondContact O-CA 3.48Å; I496-V498 HydrophobicContact CG2-CG2 4.34Å; V498-T537 PolarHBondContact N-O 2.81Å; V498-M538 HydrophobicContact CB-CG 4.28Å; V498-M538 CarbonylContact O-C 3.49Å; V498-M538 WeakPolarHBondContact O-CA 3.49Å; V498-N539 PolarHBondContact O-N 2.78Å
499	N	46.4	Very low	43.8	Very low	43 Å²	43	69.6 Å²	69.6	23%	0.23	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.8	177.8	-56.3	-44.8	0	0	0	110.2	V458 N459 S460 T497 N539	V458-N499 PolarHBondContact O-N 2.85Å; N459-N499 WeakPolarHBondContact OD1-CB 2.99Å; N459-N499 PolarHBondContact OD1-ND2 3.5Å; S460-N499 PolarHBondContact N-O 2.8Å; S460-N499 PolarHBondContact OG-O 2.75Å; T497-N499 WeakPolarHBondContact CG2-OD1 3Å; N499-N539 CarbonylContact C-O 3.52Å; N499-N539 WeakPolarHBondContact CA-O 3.32Å; N499-N539 WeakPolarHBondContact OD1-CB 2.8Å; N499-N539 PolarHBondContact OD1-ND2 3.13Å
500	S	46.1	Very low	42.4	Very low	45 Å²	45	74.8 Å²	74.8	32%	0.315	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	119.9	176.7	50.6	0	0	0	0	111.6	S460 N539 S540 S541	S460-S500 WeakPolarHBondContact O-CA 3.25Å; S500-N539 PolarHBondContact N-O 2.74Å; S500-N539 PolarHBondContact OG-O 2.93Å; S500-S540 VanDerWaalsContact O-CA 3.26Å; S500-S540 WeakPolarHBondContact O-CA 3.29Å; S500-S541 PolarHBondContact O-N 3.02Å
501	D	42.2	Very low	40.7	Very low	77 Å²	77	80 Å²	80	41%	0.412	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.4	176	-69.3	-15.6	0	0	0	109.8	S460 G462 S541	S460-D501 PolarHBondContact O-N 2.81Å; G462-D501 WeakPolarHBondContact CA-O 3.29Å; G462-D501 PolarHBondContact N-O 2.75Å; D501-S541 CarbonylContact C-O 3.59Å; D501-S541 WeakPolarHBondContact CA-O 3.28Å; D501-S541 PolarHBondContact OD1-OG 3.06Å
502	G	42.5	Very low	39.2	Very low	40 Å²	40	82.1 Å²	82.1	41%	0.412	41%	0.407	S	S	.	.			trans	-109.9	117.9	-180	0	0	0	0	0	111.7	S541 G542	G502-S541 PolarHBondContact N-O 2.83Å; G502-G542 VanDerWaalsContact O-CA 3.22Å; G502-G542 WeakPolarHBondContact O-CA 3.13Å
503	S	31.4	Very low	37.6	Very low	59 Å²	59	86.2 Å²	86.2	41%	0.413	43%	0.432	S	S	.	.			trans	-96.7	143.1	168.7	53.5	0	0	0	0	112.3	G462	G462-S503 PolarHBondContact O-OG 3.31Å
504	S	33.8	Very low	35.7	Very low	48 Å²	48	88.9 Å²	88.9	34%	0.336	44%	0.442	S	S	.	.			trans	-63.3	155.8	-161.8	58.9	0	0	0	0	118
505	S	27.3	Very low	34.1	Very low	60 Å²	60	95.3 Å²	95.3	42%	0.42	48%	0.476	S	S	.	.			trans	-125.8	119.7	160.7	61.4	0	0	0	0	111.4
506	Y	24.1	Very low	32.6	Very low	205 Å²	205	95.7 Å²	95.7	80%	0.804	49%	0.486	S	S	*	.			trans	-82.2	116.4	163.4	-87.7	-88	0	0	0	109
507	H	25.1	Very low	31.3	Very low	106 Å²	106	96.2 Å²	96.2	49%	0.491	50%	0.497	S	S	.	.			trans	-140.4	115	164.6	-110.2	-60.3	0	0	0	109.7	R509	H507-R509 PolarHBondContact O-N 3.5Å
508	N	24.7	Very low	30.3	Very low	159 Å²	159	99 Å²	99	85%	0.85	50%	0.504	S	S	*	.	S	Bend	trans	-61.2	115.2	153.8	-97.3	-23.6	0	0	0	107
509	R	23.1	Very low	29.4	Very low	163 Å²	163	101.4 Å²	101.4	62%	0.615	51%	0.511	S	S	*	.	S	Bend	trans	92.7	79.9	-173.3	-56.4	-173.2	-90.5	-170.1	-6.2	115.6	Y470 H507 F511	Y470-R509 PolarHBondContact OH-NH2 3.4Å; H507-R509 PolarHBondContact O-N 3.5Å; R509-F511 VanDerWaalsContact O-CD2 3.3Å; R509-F511 WeakPolarHBondContact O-CD2 3.46Å; R509-F511 PolarHBondContact O-N 2.96Å
510	Y	23.9	Very low	28.6	Very low	209 Å²	209	101.4 Å²	101.4	82%	0.82	51%	0.508	S	S	*	.			trans	20.6	75.9	143.8	-53.3	-80.7	0	0	0	118.5
511	F	22.2	Very low	28	Very low	161 Å²	161	100.6 Å²	100.6	71%	0.706	51%	0.507	S	S	*	.			trans	-134.5	99.6	157.3	-70.9	-73.4	0	0	0	110.3	R509	R509-F511 VanDerWaalsContact O-CD2 3.3Å; R509-F511 WeakPolarHBondContact O-CD2 3.46Å; R509-F511 PolarHBondContact O-N 2.96Å
512	P	23.6	Very low	27.7	Very low	63 Å²	63	98.5 Å²	98.5	41%	0.409	50%	0.498	S	S	.	.			trans	-68.3	144.3	-176.2	26.5	-32.2	0	0	0	110.8	R514	P512-R514 VanDerWaalsContact C-N 3.26Å; P512-R514 PolarHBondContact O-N 3.44Å
513	T	24.9	Very low	27.6	Very low	88 Å²	88	97.7 Å²	97.7	54%	0.54	48%	0.484	S	S	.	.			trans	-57.8	86.6	168.5	-38.1	0	0	0	0	109	L515	T513-L515 PolarHBondContact O-N 2.91Å
514	R	23.6	Very low	28.1	Very low	182 Å²	182	96.4 Å²	96.4	69%	0.687	48%	0.475	S	S	*	.			trans	-67.9	107.1	177.7	-73	-174.7	-179.1	-173.5	1	108.7	P512 S516	P512-R514 VanDerWaalsContact C-N 3.26Å; P512-R514 PolarHBondContact O-N 3.44Å; R514-S516 PolarHBondContact O-N 2.95Å
515	L	23.7	Very low	28.4	Very low	140 Å²	140	95.5 Å²	95.5	73%	0.733	47%	0.474	S	S	*	.			trans	-65.7	66.1	157.9	-72	172.5	0	0	0	109.4	T513 G517	T513-L515 PolarHBondContact O-N 2.91Å; L515-G517 PolarHBondContact O-N 3.46Å
516	S	24.4	Very low	29.4	Very low	59 Å²	59	92.7 Å²	92.7	41%	0.413	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-83.3	66.2	179.7	70	0	0	0	0	110.6	F475 R514	F475-S516 PolarHBondContact O-OG 3.06Å; R514-S516 PolarHBondContact O-N 2.95Å
517	G	25	Very low	30.6	Very low	36 Å²	36	85.2 Å²	85.2	37%	0.371	43%	0.432	S	S	.	.			trans	-97.3	122.9	173	0	0	0	0	0	111.7	G477 L515 K519	G477-G517 WeakPolarHBondContact O-CA 3.4Å; L515-G517 PolarHBondContact O-N 3.46Å; G517-K519 VanDerWaalsContact C-N 3.3Å; G517-K519 PolarHBondContact O-N 3.38Å
518	R	27.8	Very low	31.7	Very low	95 Å²	95	80.7 Å²	80.7	36%	0.358	41%	0.414	S	S	.	.			trans	-73.8	91.8	163	-55.4	-170.4	-174	-168.9	-0.4	107	G477 R478 K479 Y520	G477-R518 PolarHBondContact O-N 2.97Å; R478-R518 CarbonylContact C-O 3.53Å; R478-R518 VanDerWaalsContact CA-O 3.28Å; R478-R518 WeakPolarHBondContact CA-O 3.28Å; R478-R518 HydrophobicContact CB-CB 4.31Å; R478-R518 HydrophobicContact CG-CB 4Å; R478-R518 HydrophobicContact CG-CG 4.27Å; K479-R518 PolarHBondContact N-O 3.11Å; R518-Y520 HydrophobicContact CB-CD2 4Å; R518-Y520 HydrophobicContact CB-CE2 3.42Å; R518-Y520 VanDerWaalsContact CB-CE2 3.42Å; R518-Y520 WeakPolarHBondContact CD-OH 3.38Å; R518-Y520 HydrophobicContact CG-CE2 4.34Å
519	K	31	Very low	33	Very low	92 Å²	92	78.2 Å²	78.2	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.4	167.1	-72.4	-178.4	179.9	-179.2	0	107.6	K479 G517 R559	K479-K519 CarbonylContact O-C 3.47Å; K479-K519 WeakPolarHBondContact O-CA 3.31Å; G517-K519 VanDerWaalsContact C-N 3.3Å; G517-K519 PolarHBondContact O-N 3.38Å; K519-R559 WeakPolarHBondContact O-CG 3.12Å
520	Y	29.8	Very low	34.7	Very low	43 Å²	43	73.5 Å²	73.5	17%	0.169	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	103.9	172.3	-71.1	-84.9	0	0	0	106.5	K479 Y480 G481 R518 R558 N560	K479-Y520 PolarHBondContact O-N 3.11Å; Y480-Y520 CarbonylContact C-O 3.49Å; Y480-Y520 WeakPolarHBondContact CA-O 3.35Å; Y480-Y520 AromaticContact CD1-CD2 3.44Å; Y480-Y520 HydrophobicContact CD1-CD2 3.44Å; Y480-Y520 VanDerWaalsContact CD1-CD2 3.44Å; Y480-Y520 HydrophobicContact CD1-CE2 4.38Å; Y480-Y520 AromaticContact CD1-CG 3.57Å; Y480-Y520 HydrophobicContact CD1-CG 3.57Å; Y480-Y520 HydrophobicContact CE1-CD1 4.25Å; Y480-Y520 AromaticContact CE1-CD2 2.95Å; Y480-Y520 HydrophobicContact CE1-CD2 2.95Å; Y480-Y520 AromaticContact CE1-CE2 3.49Å; Y480-Y520 HydrophobicContact CE1-CE2 3.49Å; Y480-Y520 VanDerWaalsContact CE1-CE2 3.49Å; Y480-Y520 AromaticContact CE1-CG 3.4Å; Y480-Y520 HydrophobicContact CE1-CG 3.4Å; Y480-Y520 HydrophobicContact CE2-CD2 4.19Å; Y480-Y520 HydrophobicContact CG-CD2 4.17Å; Y480-Y520 HydrophobicContact CG-CG 4.5Å; Y480-Y520 AromaticContact CZ-CD2 3.38Å; Y480-Y520 AromaticContact CZ-CE2 3.58Å; Y480-Y520 WeakPolarHBondContact OH-CE2 3.13Å; G481-Y520 PolarHBondContact N-O 3.16Å; R518-Y520 HydrophobicContact CB-CD2 4Å; R518-Y520 HydrophobicContact CB-CE2 3.42Å; R518-Y520 VanDerWaalsContact CB-CE2 3.42Å; R518-Y520 WeakPolarHBondContact CD-OH 3.38Å; R518-Y520 HydrophobicContact CG-CE2 4.34Å; Y520-R558 VanDerWaalsContact CE1-O 3.31Å; Y520-R558 WeakPolarHBondContact CE1-O 3.39Å; Y520-R558 PolarHBondContact OH-O 2.95Å; Y520-R558 VanDerWaalsContact OH-O 3.14Å; Y520-N560 HydrophobicContact CD1-CB 4.49Å
521	G	33.8	Very low	36.2	Very low	28 Å²	28	64.5 Å²	64.5	29%	0.289	36%	0.355	S	S	.	.			trans	-146.7	133.2	177.6	0	0	0	0	0	109.5	G481 G561	G481-G521 WeakPolarHBondContact O-CA 3.4Å; G521-G561 VanDerWaalsContact O-CA 3.29Å; G521-G561 WeakPolarHBondContact O-CA 3.39Å
522	S	36.4	Very low	37.9	Very low	32 Å²	32	56.9 Å²	56.9	22%	0.224	32%	0.322	C	S	.	.			trans	-109.7	129.5	173.6	-46.4	0	0	0	0	107	S482 L483 S562	S482-S522 CarbonylContact C-O 3.59Å; S482-S522 WeakPolarHBondContact CA-O 3.49Å; S482-S522 WeakPolarHBondContact CB-O 3.31Å; L483-S522 PolarHBondContact N-O 3.46Å; S522-S562 CarbonylContact C-O 3.51Å; S522-S562 WeakPolarHBondContact CA-O 3.34Å; S522-S562 VanDerWaalsContact CB-O 3.28Å; S522-S562 WeakPolarHBondContact CB-O 3.35Å
523	L	40.8	Very low	39.7	Very low	23 Å²	23	55.2 Å²	55.2	12%	0.12	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.4	167.5	-177.2	71.2	0	0	0	105.4	L483 L486 L526 I534 S562 L563 S564	L483-L523 HydrophobicContact CB-CD1 3.37Å; L483-L523 HydrophobicContact CD1-CD1 4.34Å; L483-L523 HydrophobicContact CG-CD1 4.42Å; L483-L523 CarbonylContact O-C 3.53Å; L483-L523 VanDerWaalsContact O-CA 3.24Å; L483-L523 WeakPolarHBondContact O-CA 3.39Å; L486-L523 HydrophobicContact CD1-CD1 4.39Å; L523-L526 HydrophobicContact CD1-CD1 4.33Å; L523-L526 HydrophobicContact CD1-CD2 4.35Å; L523-L526 HydrophobicContact CD2-CD1 3.64Å; L523-L526 HydrophobicContact CG-CD1 3.82Å; L523-L526 HydrophobicContact CG-CG 4.41Å; L523-I534 HydrophobicContact CD2-CD1 4.37Å; L523-S562 PolarHBondContact N-O 3.18Å; L523-S562 VanDerWaalsContact N-O 3.17Å; L523-L563 HydrophobicContact CB-CD1 3.69Å; L523-L563 HydrophobicContact CB-CG 4.08Å; L523-L563 HydrophobicContact CD2-CD1 3.88Å; L523-L563 HydrophobicContact CD2-CG 4.26Å; L523-L563 HydrophobicContact CG-CD1 4.38Å; L523-L563 CarbonylContact O-C 3.55Å; L523-L563 VanDerWaalsContact O-CA 3.3Å; L523-L563 WeakPolarHBondContact O-CA 3.41Å; L523-S564 PolarHBondContact O-N 3.23Å
524	S	40.5	Very low	41.2	Very low	32 Å²	32	51.2 Å²	51.2	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	143.4	-172.7	62.6	0	0	0	0	116.6	L483 S484 G485 S564	L483-S524 PolarHBondContact O-N 3.13Å; S484-S524 CarbonylContact C-O 3.55Å; S484-S524 WeakPolarHBondContact CA-O 3.43Å; S484-S524 WeakPolarHBondContact CB-O 3.23Å; S484-S524 WeakPolarHBondContact CB-OG 3.26Å; G485-S524 PolarHBondContact N-O 2.86Å; S524-S564 CarbonylContact C-O 3.52Å; S524-S564 WeakPolarHBondContact CA-O 3.47Å; S524-S564 VanDerWaalsContact CB-O 3.22Å; S524-S564 WeakPolarHBondContact CB-O 3.41Å; S524-S564 WeakPolarHBondContact CB-OG 3.27Å
525	G	40.2	Very low	42.7	Very low	30 Å²	30	45.7 Å²	45.7	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.6	53.6	179.4	0	0	0	0	0	111.8	G485 L486 S564 G565	G485-G525 CarbonylContact C-O 3.59Å; G485-G525 VanDerWaalsContact CA-O 3.27Å; G485-G525 WeakPolarHBondContact CA-O 3.3Å; G485-G525 PolarHBondContact N-O 3.17Å; L486-G525 PolarHBondContact N-O 3.13Å; G525-S564 PolarHBondContact N-O 3.32Å; G525-G565 CarbonylContact C-O 3.58Å; G525-G565 WeakPolarHBondContact CA-O 3.23Å; G525-G565 PolarHBondContact N-O 3.32Å
526	L	49	Very low	44	Very low	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	94.7	168.6	-53.8	-175.2	0	0	0	106	L486 L523 I534 G565 L566 S567 Q572	L486-L526 HydrophobicContact CB-CD2 3.44Å; L486-L526 VanDerWaalsContact CB-CD2 3.44Å; L486-L526 HydrophobicContact CD1-CD2 3.35Å; L486-L526 HydrophobicContact CG-CD2 3.39Å; L486-L526 WeakPolarHBondContact O-CA 3.24Å; L523-L526 HydrophobicContact CD1-CD1 4.33Å; L523-L526 HydrophobicContact CD1-CD2 4.35Å; L523-L526 HydrophobicContact CD2-CD1 3.64Å; L523-L526 HydrophobicContact CG-CD1 3.82Å; L523-L526 HydrophobicContact CG-CG 4.41Å; L526-I534 HydrophobicContact CD1-CD1 3.33Å; L526-G565 CarbonylContact C-O 3.49Å; L526-G565 PolarHBondContact N-O 2.96Å; L526-G565 VanDerWaalsContact O-O 3.09Å; L526-L566 HydrophobicContact CB-CD2 3.62Å; L526-L566 HydrophobicContact CD1-CD2 3.19Å; L526-L566 HydrophobicContact CG-CD2 3.57Å; L526-S567 PolarHBondContact O-N 2.96Å; L526-Q572 PolarHBondContact O-NE2 3.44Å
527	S	48.2	Very low	45.2	Very low	49 Å²	49	39.7 Å²	39.7	34%	0.343	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.2	-178.1	61.8	0	0	0	0	110.8	L486 S487 G488 Q532 S567	L486-S527 PolarHBondContact O-N 3.44Å; S487-S527 VanDerWaalsContact CA-O 3.24Å; S487-S527 WeakPolarHBondContact CA-O 3.29Å; G488-S527 PolarHBondContact N-O 3.17Å; S527-Q532 PolarHBondContact O-NE2 3.47Å; S527-S567 VanDerWaalsContact CA-O 3.29Å; S527-S567 WeakPolarHBondContact CA-O 3.22Å
528	G	49.6	Very low	46.3	Very low	11 Å²	11	40.2 Å²	40.2	11%	0.113	22%	0.224	C	C	.	.			trans	-160.6	142.7	173.1	0	0	0	0	0	111.2	G488 N530 S567 G568	G488-G528 WeakPolarHBondContact O-CA 3.11Å; G528-N530 VanDerWaalsContact C-N 3.33Å; G528-S567 PolarHBondContact N-O 3.17Å; G528-G568 WeakPolarHBondContact O-CA 3.42Å
529	E	52.5	Low	47.2	Very low	107 Å²	107	38 Å²	38	50%	0.5	22%	0.219	S	C	.	.	S	Bend	trans	-63	-44.7	175.2	-66.4	174.3	178.8	0	0	109.7	N570	E529-N570 WeakPolarHBondContact O-CB 3.33Å; E529-N570 PolarHBondContact O-N 3.03Å; E529-N570 PolarHBondContact O-ND2 2.91Å
530	N	56.9	Low	47.8	Very low	63 Å²	63	36.1 Å²	36.1	34%	0.337	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-94.1	125	173.4	-66	-59.1	0	0	0	111.2	E489 N490 G491 G528 Q532 N570	E489-N530 WeakPolarHBondContact O-CB 3.4Å; E489-N530 PolarHBondContact O-N 3.19Å; E489-N530 PolarHBondContact O-ND2 2.77Å; N490-N530 PolarHBondContact OD1-ND2 3.43Å; G491-N530 VanDerWaalsContact CA-O 3.29Å; G491-N530 WeakPolarHBondContact CA-O 2.89Å; G491-N530 PolarHBondContact N-O 3.4Å; G528-N530 VanDerWaalsContact C-N 3.33Å; N530-Q532 PolarHBondContact O-N 3.21Å; N530-N570 PolarHBondContact OD1-ND2 2.98Å
531	G	56.4	Low	48.5	Very low	21 Å²	21	36.3 Å²	36.3	22%	0.216	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-50.8	121.2	-169.5	0	0	0	0	0	113.4	N570	G531-N570 WeakPolarHBondContact CA-O 2.99Å; G531-N570 VanDerWaalsContact N-CB 3.3Å
532	Q	58.4	Low	49	Very low	1 Å²	1	35.4 Å²	35.4	1%	0.005	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-72	143.9	179.1	-59.5	-174.7	9.5	0	0	110.6	L486 S527 N530 V573	L486-Q532 PolarHBondContact O-NE2 3.02Å; S527-Q532 PolarHBondContact O-NE2 3.47Å; N530-Q532 PolarHBondContact O-N 3.21Å; Q532-V573 PolarHBondContact O-N 3.17Å
533	V	60.4	Low	49.1	Very low	28 Å²	28	37 Å²	37	17%	0.17	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.6	176.9	-170.5	0	0	0	0	110.8	Q492 R493 I494 Y535 V573 Y575	Q492-V533 PolarHBondContact O-N 2.84Å; R493-V533 CarbonylContact C-O 3.56Å; R493-V533 VanDerWaalsContact CA-O 3.3Å; R493-V533 WeakPolarHBondContact CA-O 3.49Å; R493-V533 HydrophobicContact CG-CB 4.41Å; I494-V533 PolarHBondContact N-O 3.39Å; V533-Y535 HydrophobicContact CB-CE2 4.19Å; V533-Y535 HydrophobicContact CG1-CD2 4.15Å; V533-Y535 HydrophobicContact CG1-CE1 4.41Å; V533-Y535 HydrophobicContact CG1-CE2 3.38Å; V533-V573 CarbonylContact C-O 3.58Å; V533-V573 WeakPolarHBondContact CA-O 3.37Å; V533-V573 HydrophobicContact CG1-CB 4.38Å; V533-V573 HydrophobicContact CG2-CB 4.48Å; V533-Y575 HydrophobicContact CG1-CD2 3.86Å; V533-Y575 HydrophobicContact CG1-CE2 3.66Å
534	I	56.9	Low	49	Very low	3 Å²	3	38.1 Å²	38.1	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.6	-176.8	-53.9	176	0	0	0	109.3	I494 L523 L526 I536 V573 I574 Y575	I494-I534 HydrophobicContact CB-CG1 4.44Å; I494-I534 HydrophobicContact CB-CG2 4.44Å; I494-I534 HydrophobicContact CD1-CG1 4.37Å; I494-I534 CarbonylContact O-C 3.52Å; I494-I534 WeakPolarHBondContact O-CA 3.47Å; L523-I534 HydrophobicContact CD2-CD1 4.37Å; L526-I534 HydrophobicContact CD1-CD1 3.33Å; I534-I536 HydrophobicContact CG2-CD1 4.34Å; I534-I536 HydrophobicContact CG2-CG1 3.95Å; I534-V573 PolarHBondContact N-O 3.37Å; I534-I574 HydrophobicContact CB-CG1 4.42Å; I534-I574 HydrophobicContact CB-CG2 4.41Å; I534-I574 HydrophobicContact CD1-CG1 4.42Å; I534-I574 CarbonylContact O-C 3.59Å; I534-I574 WeakPolarHBondContact O-CA 3.46Å; I534-Y575 PolarHBondContact O-N 3.5Å
535	Y	55.6	Low	48.6	Very low	67 Å²	67	38.7 Å²	38.7	26%	0.263	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123	173.6	-60.1	-90.9	0	0	0	108.9	I494 Y495 I496 V533 Y575	I494-Y535 PolarHBondContact O-N 3.36Å; Y495-Y535 CarbonylContact C-O 3.47Å; Y495-Y535 WeakPolarHBondContact CA-O 3.4Å; Y495-Y535 AromaticContact CD1-CD2 3.55Å; Y495-Y535 HydrophobicContact CD1-CD2 3.55Å; Y495-Y535 HydrophobicContact CD1-CE2 4.41Å; Y495-Y535 AromaticContact CD1-CG 3.75Å; Y495-Y535 HydrophobicContact CD1-CG 3.75Å; Y495-Y535 HydrophobicContact CE1-CD1 4.49Å; Y495-Y535 AromaticContact CE1-CD2 3.21Å; Y495-Y535 HydrophobicContact CE1-CD2 3.21Å; Y495-Y535 AromaticContact CE1-CE2 3.63Å; Y495-Y535 HydrophobicContact CE1-CE2 3.63Å; Y495-Y535 AromaticContact CE1-CG 3.71Å; Y495-Y535 HydrophobicContact CE1-CG 3.71Å; Y495-Y535 HydrophobicContact CG-CD2 4.35Å; Y495-Y535 AromaticContact CZ-CD2 3.81Å; Y495-Y535 AromaticContact CZ-CE2 3.92Å; I496-Y535 PolarHBondContact N-O 2.77Å; V533-Y535 HydrophobicContact CB-CE2 4.19Å; V533-Y535 HydrophobicContact CG1-CD2 4.15Å; V533-Y535 HydrophobicContact CG1-CE1 4.41Å; V533-Y535 HydrophobicContact CG1-CE2 3.38Å; Y535-Y575 CarbonylContact C-O 3.42Å; Y535-Y575 WeakPolarHBondContact CA-O 3.38Å; Y535-Y575 AromaticContact CD1-CD2 3.68Å; Y535-Y575 HydrophobicContact CD1-CD2 3.68Å; Y535-Y575 AromaticContact CD1-CG 3.85Å; Y535-Y575 HydrophobicContact CD1-CG 3.85Å; Y535-Y575 AromaticContact CE1-CD2 3.31Å; Y535-Y575 HydrophobicContact CE1-CD2 3.31Å; Y535-Y575 AromaticContact CE1-CE2 3.8Å; Y535-Y575 HydrophobicContact CE1-CE2 3.8Å; Y535-Y575 AromaticContact CE1-CG 3.76Å; Y535-Y575 HydrophobicContact CE1-CG 3.76Å; Y535-Y575 HydrophobicContact CG-CD2 4.44Å; Y535-Y575 AromaticContact CZ-CD2 3.82Å
536	I	49.7	Very low	48.1	Very low	38 Å²	38	42.4 Å²	42.4	20%	0.195	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112	175.7	-54.2	179.8	0	0	0	107.3	I496 I534 M538 Y575 I576 T577	I496-I536 HydrophobicContact CB-CG1 4.42Å; I496-I536 HydrophobicContact CD1-CG1 4.41Å; I496-I536 CarbonylContact O-C 3.51Å; I496-I536 WeakPolarHBondContact O-CA 3.33Å; I534-I536 HydrophobicContact CG2-CD1 4.34Å; I534-I536 HydrophobicContact CG2-CG1 3.95Å; I536-M538 HydrophobicContact CG2-CG 4.46Å; I536-Y575 PolarHBondContact N-O 3.2Å; I536-I576 HydrophobicContact CB-CG1 4.42Å; I536-I576 HydrophobicContact CB-CG2 4.49Å; I536-I576 HydrophobicContact CD1-CG1 4.41Å; I536-I576 CarbonylContact O-C 3.55Å; I536-I576 WeakPolarHBondContact O-CA 3.39Å; I536-T577 PolarHBondContact O-N 2.75Å
537	T	49.9	Very low	47.2	Very low	35 Å²	35	46.5 Å²	46.5	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.1	175.5	-57.6	0	0	0	0	109.8	I496 T497 V498 N539 T577	I496-T537 PolarHBondContact O-N 2.81Å; T497-T537 CarbonylContact C-O 3.53Å; T497-T537 VanDerWaalsContact CA-O 3.27Å; T497-T537 WeakPolarHBondContact CA-O 3.36Å; V498-T537 PolarHBondContact N-O 2.81Å; T537-N539 WeakPolarHBondContact CG2-OD1 3.33Å; T537-T577 CarbonylContact C-O 3.48Å; T537-T577 WeakPolarHBondContact CA-O 2.73Å
538	M	48.6	Very low	46	Very low	47 Å²	47	49.1 Å²	49.1	23%	0.232	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113.4	175.6	-64.8	-174.3	-73.5	0	0	108.8	V498 I536 P553 I576 T577 M578 N579	V498-M538 HydrophobicContact CB-CG 4.28Å; V498-M538 CarbonylContact O-C 3.49Å; V498-M538 WeakPolarHBondContact O-CA 3.49Å; I536-M538 HydrophobicContact CG2-CG 4.46Å; M538-P553 HydrophobicContact CE-CG 3.85Å; M538-P553 HydrophobicContact SD-CB 4.48Å; M538-P553 HydrophobicContact SD-CG 4.07Å; M538-I576 HydrophobicContact CE-CG2 4.29Å; M538-T577 PolarHBondContact N-O 2.79Å; M538-M578 HydrophobicContact CB-CG 4.39Å; M538-M578 HydrophobicContact CE-CG 3.36Å; M538-M578 HydrophobicContact CE-SD 3.64Å; M538-M578 CarbonylContact O-C 3.56Å; M538-M578 WeakPolarHBondContact O-CA 3.37Å; M538-N579 PolarHBondContact O-N 2.74Å
539	N	46.3	Very low	45	Very low	49 Å²	49	50.7 Å²	50.7	26%	0.262	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.8	179.1	-57.2	-43.3	0	0	0	110.2	V498 N499 S500 T537 N579	V498-N539 PolarHBondContact O-N 2.78Å; N499-N539 CarbonylContact C-O 3.52Å; N499-N539 WeakPolarHBondContact CA-O 3.32Å; N499-N539 WeakPolarHBondContact OD1-CB 2.8Å; N499-N539 PolarHBondContact OD1-ND2 3.13Å; S500-N539 PolarHBondContact N-O 2.74Å; S500-N539 PolarHBondContact OG-O 2.93Å; T537-N539 WeakPolarHBondContact CG2-OD1 3.33Å; N539-N579 CarbonylContact C-O 3.52Å; N539-N579 WeakPolarHBondContact CA-O 3.37Å; N539-N579 WeakPolarHBondContact OD1-CB 3.37Å; N539-N579 PolarHBondContact OD1-ND2 3.43Å
540	S	44.7	Very low	43.7	Very low	51 Å²	51	55 Å²	55	36%	0.357	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128	175.3	50.1	0	0	0	0	110.5	S500 N579 S580 S581	S500-S540 VanDerWaalsContact O-CA 3.26Å; S500-S540 WeakPolarHBondContact O-CA 3.29Å; S540-N579 PolarHBondContact N-O 3.33Å; S540-N579 PolarHBondContact OG-O 3.04Å; S540-N579 VanDerWaalsContact OG-O 3.11Å; S540-S580 WeakPolarHBondContact O-CA 3.09Å; S540-S581 PolarHBondContact O-N 3.16Å
541	S	43.1	Very low	42.1	Very low	47 Å²	47	53.7 Å²	53.7	33%	0.329	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.9	179.1	90.2	0	0	0	0	112	S500 D501 G502 S581	S500-S541 PolarHBondContact O-N 3.02Å; D501-S541 CarbonylContact C-O 3.59Å; D501-S541 WeakPolarHBondContact CA-O 3.28Å; D501-S541 PolarHBondContact OD1-OG 3.06Å; G502-S541 PolarHBondContact N-O 2.83Å; S541-S581 VanDerWaalsContact CA-O 3.31Å; S541-S581 WeakPolarHBondContact CA-O 3.42Å
542	G	44	Very low	40.6	Very low	10 Å²	10	53.2 Å²	53.2	10%	0.103	29%	0.287	C	S	.	.			trans	162.2	143.5	173.8	0	0	0	0	0	116.4	G502 S581	G502-G542 VanDerWaalsContact O-CA 3.22Å; G502-G542 WeakPolarHBondContact O-CA 3.13Å; G542-S581 PolarHBondContact N-O 2.98Å
543	P	38.9	Very low	39.1	Very low	64 Å²	64	55.7 Å²	55.7	42%	0.416	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	134.4	175.1	28.5	-31.9	0	0	0	111.8	S545 P583	P543-S545 PolarHBondContact O-N 2.73Å; P543-P583 HydrophobicContact CB-CG 3.88Å
544	N	39.9	Very low	37.5	Very low	47 Å²	47	55.8 Å²	55.8	25%	0.251	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	42.3	178	-59.9	-30.6	0	0	0	113.7	H546 P583 N584	N544-H546 PolarHBondContact O-N 3.1Å; N544-P583 PolarHBondContact N-O 2.75Å; N544-N584 PolarHBondContact OD1-ND2 2.79Å
545	S	31.3	Very low	36.1	Very low	45 Å²	45	59.5 Å²	59.5	32%	0.315	32%	0.324	S	S	.	.			trans	-69.6	79	161.9	52.7	0	0	0	0	108.6	P543 H547	P543-S545 PolarHBondContact O-N 2.73Å; S545-H547 PolarHBondContact O-N 2.74Å
546	H	29.9	Very low	34.5	Very low	108 Å²	108	57.2 Å²	57.2	50%	0.5	32%	0.318	S	S	.	.			trans	-67.7	74.9	159.7	-70.9	-69.9	0	0	0	107.7	N544 L548 H586	N544-H546 PolarHBondContact O-N 3.1Å; H546-L548 VanDerWaalsContact C-N 3.29Å; H546-L548 PolarHBondContact O-N 3.35Å; H546-H586 AromaticContact CE1-CD2 3.82Å; H546-H586 AromaticContact CE1-NE2 3.89Å; H546-H586 AromaticContact ND1-CD2 3.57Å
547	H	29.1	Very low	33.2	Very low	86 Å²	86	56.6 Å²	56.6	40%	0.398	32%	0.321	S	S	.	.			trans	-62.6	102.1	155.2	-104.3	-131.9	0	0	0	104.3	S545 P549	S545-H547 PolarHBondContact O-N 2.74Å; H547-P549 VanDerWaalsContact CB-CD 3.5Å; H547-P549 HydrophobicContact CB-CG 3.37Å; H547-P549 WeakPolarHBondContact ND1-CG 3.4Å; H547-P549 VanDerWaalsContact O-CD 3.29Å; H547-P549 WeakPolarHBondContact O-CD 3.26Å
548	L	24.7	Very low	32.3	Very low	104 Å²	104	62.9 Å²	62.9	55%	0.545	34%	0.34	S	S	.	.			trans	-95.8	39.5	151.6	-83.1	170.4	0	0	0	110.3	H546 F550 L588	H546-L548 VanDerWaalsContact C-N 3.29Å; H546-L548 PolarHBondContact O-N 3.35Å; L548-F550 PolarHBondContact O-N 2.85Å; L548-L588 HydrophobicContact CD2-CD1 3.91Å
549	P	27.9	Very low	31.6	Very low	44 Å²	44	62 Å²	62	29%	0.286	33%	0.334	S	S	.	.			trans	-88.5	121.4	-163	15.7	10.1	0	0	0	106.5	H547 S551	H547-P549 VanDerWaalsContact CB-CD 3.5Å; H547-P549 HydrophobicContact CB-CG 3.37Å; H547-P549 WeakPolarHBondContact ND1-CG 3.4Å; H547-P549 VanDerWaalsContact O-CD 3.29Å; H547-P549 WeakPolarHBondContact O-CD 3.26Å; P549-S551 VanDerWaalsContact C-N 3.28Å; P549-S551 PolarHBondContact O-N 3.1Å
550	F	25.5	Very low	30.8	Very low	198 Å²	198	64.1 Å²	64.1	87%	0.868	35%	0.346	S	S	*	.	S	Bend	trans	-36.7	103.1	145.2	-66.9	-89.2	0	0	0	109.6	L548	L548-F550 PolarHBondContact O-N 2.85Å
551	S	23.9	Very low	30.1	Very low	34 Å²	34	62.4 Å²	62.4	24%	0.238	34%	0.337	C	S	.	.	S	Bend	trans	75	132.6	169.7	-37.7	0	0	0	0	117.6	P549	P549-S551 VanDerWaalsContact C-N 3.28Å; P549-S551 PolarHBondContact O-N 3.1Å
552	P	24.4	Very low	29.8	Very low	11 Å²	11	61.8 Å²	61.8	7%	0.071	33%	0.332	C	S	.	.	S	Bend	trans	-56.6	146.4	162.3	27.5	-33.3	0	0	0	108.4	P554 F590 S591	P552-P554 VanDerWaalsContact C-CD 3.48Å; P552-P554 WeakPolarHBondContact O-CA 3.3Å; P552-P554 WeakPolarHBondContact O-CD 3.17Å; P552-F590 WeakPolarHBondContact CD-O 3.31Å; P552-S591 WeakPolarHBondContact CD-O 3.24Å; P552-S591 WeakPolarHBondContact CG-O 3.3Å
553	P	25.6	Very low	29.6	Very low	54 Å²	54	63.2 Å²	63.2	35%	0.351	34%	0.337	S	S	.	.	S	Bend	trans	-33.2	90.1	-158.9	16	-32	0	0	0	110.4	M538 L555 M578	M538-P553 HydrophobicContact CE-CG 3.85Å; M538-P553 HydrophobicContact SD-CB 4.48Å; M538-P553 HydrophobicContact SD-CG 4.07Å; P553-L555 PolarHBondContact O-N 2.88Å; P553-M578 HydrophobicContact CG-SD 4.09Å
554	P	26.7	Very low	29.6	Very low	29 Å²	29	61.6 Å²	61.6	19%	0.188	33%	0.328	C	S	.	.			trans	-67.3	134.4	-162.3	14.2	-26	0	0	0	104.7	P552 S556 R559	P552-P554 VanDerWaalsContact C-CD 3.48Å; P552-P554 WeakPolarHBondContact O-CA 3.3Å; P552-P554 WeakPolarHBondContact O-CD 3.17Å; P554-S556 WeakPolarHBondContact CB-O 3.3Å; P554-S556 WeakPolarHBondContact CB-OG 3.21Å; P554-S556 VanDerWaalsContact CG-O 3.3Å; P554-S556 WeakPolarHBondContact CG-O 3.24Å; P554-S556 PolarHBondContact O-N 2.94Å; P554-R559 PolarHBondContact O-NE 2.89Å; P554-R559 PolarHBondContact O-NH2 2.93Å
555	L	27.5	Very low	29.7	Very low	82 Å²	82	60.6 Å²	60.6	43%	0.429	33%	0.328	S	S	.	.	S	Bend	trans	-60.6	11.2	159.7	-72.2	180	0	0	0	111.5	P553 R559 L595	P553-L555 PolarHBondContact O-N 2.88Å; L555-R559 VanDerWaalsContact C-CZ 3.46Å; L555-R559 VanDerWaalsContact CA-CZ 3.49Å; L555-R559 VanDerWaalsContact CA-NH1 3.31Å; L555-R559 WeakPolarHBondContact O-CD 3.26Å; L555-R559 PolarHBondContact O-NE 2.95Å; L555-R559 PolarHBondContact O-NH1 3.17Å; L555-L595 HydrophobicContact CB-CD2 4.35Å; L555-L595 HydrophobicContact CD1-CD2 4.05Å
556	S	23.4	Very low	30.4	Very low	19 Å²	19	58.5 Å²	58.5	13%	0.133	31%	0.313	C	S	.	.			trans	-121.4	90.5	171	53.5	0	0	0	0	113.8	P554 P594 S596	P554-S556 WeakPolarHBondContact CB-O 3.3Å; P554-S556 WeakPolarHBondContact CB-OG 3.21Å; P554-S556 VanDerWaalsContact CG-O 3.3Å; P554-S556 WeakPolarHBondContact CG-O 3.24Å; P554-S556 PolarHBondContact O-N 2.94Å; S556-P594 PolarHBondContact OG-O 3.22Å; S556-S596 WeakPolarHBondContact CB-O 3.25Å; S556-S596 PolarHBondContact OG-O 3.43Å
557	G	22.8	Very low	31.3	Very low	24 Å²	24	55.5 Å²	55.5	25%	0.247	31%	0.305	C	S	.	.	S	Bend	trans	-81.8	-169.4	139.7	0	0	0	0	0	107.5	R559	G557-R559 VanDerWaalsContact O-CB 3.3Å; G557-R559 WeakPolarHBondContact O-CB 2.97Å; G557-R559 PolarHBondContact O-N 3.02Å
558	R	30	Very low	32.2	Very low	167 Å²	167	52 Å²	52	63%	0.63	29%	0.292	S	S	*	.	S	Bend	trans	-67.6	59.1	166.6	-67.6	-178.2	176.7	-139.6	4	111	Y520	Y520-R558 VanDerWaalsContact CE1-O 3.31Å; Y520-R558 WeakPolarHBondContact CE1-O 3.39Å; Y520-R558 PolarHBondContact OH-O 2.95Å; Y520-R558 VanDerWaalsContact OH-O 3.14Å
559	R	33.9	Very low	33.5	Very low	28 Å²	28	52.2 Å²	52.2	11%	0.106	29%	0.29	C	S	.	.			trans	-100.5	117.1	-150.1	-94.6	177.8	-162.7	-136.3	6.2	112.2	K519 P554 L555 G557 G561 R599	K519-R559 WeakPolarHBondContact O-CG 3.12Å; P554-R559 PolarHBondContact O-NE 2.89Å; P554-R559 PolarHBondContact O-NH2 2.93Å; L555-R559 VanDerWaalsContact C-CZ 3.46Å; L555-R559 VanDerWaalsContact CA-CZ 3.49Å; L555-R559 VanDerWaalsContact CA-NH1 3.31Å; L555-R559 WeakPolarHBondContact O-CD 3.26Å; L555-R559 PolarHBondContact O-NE 2.95Å; L555-R559 PolarHBondContact O-NH1 3.17Å; G557-R559 VanDerWaalsContact O-CB 3.3Å; G557-R559 WeakPolarHBondContact O-CB 2.97Å; G557-R559 PolarHBondContact O-N 3.02Å; R559-G561 PolarHBondContact O-N 2.79Å; R559-R599 CarbonylContact C-O 3.53Å
560	N	29.2	Very low	34.9	Very low	94 Å²	94	53 Å²	53	50%	0.503	29%	0.292	S	S	.	.			trans	-88.3	56.4	156.9	-70	12.2	0	0	0	109.9	Y520 N600	Y520-N560 HydrophobicContact CD1-CB 4.49Å; N560-N600 WeakPolarHBondContact CA-O 3.44Å
561	G	31.1	Very low	36.4	Very low	16 Å²	16	44.4 Å²	44.4	17%	0.165	26%	0.26	C	S	.	.			trans	-111.5	118.6	176.9	0	0	0	0	0	109.1	G521 R559	G521-G561 VanDerWaalsContact O-CA 3.29Å; G521-G561 WeakPolarHBondContact O-CA 3.39Å; R559-G561 PolarHBondContact O-N 2.79Å
562	S	35.7	Very low	38	Very low	33 Å²	33	42.9 Å²	42.9	23%	0.231	25%	0.249	C	C	.	.			trans	-106.2	136.9	177.7	33.8	0	0	0	0	109.8	S522 L523 S602	S522-S562 CarbonylContact C-O 3.51Å; S522-S562 WeakPolarHBondContact CA-O 3.34Å; S522-S562 VanDerWaalsContact CB-O 3.28Å; S522-S562 WeakPolarHBondContact CB-O 3.35Å; L523-S562 PolarHBondContact N-O 3.18Å; L523-S562 VanDerWaalsContact N-O 3.17Å; S562-S602 VanDerWaalsContact CA-O 3.22Å; S562-S602 WeakPolarHBondContact CA-O 3.44Å; S562-S602 VanDerWaalsContact CB-O 3.3Å; S562-S602 WeakPolarHBondContact CB-O 3.42Å
563	L	39.3	Very low	39.7	Very low	41 Å²	41	43.9 Å²	43.9	22%	0.215	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.4	161	-142.8	102.3	0	0	0	104.6	L523 L566 I574 S602 L603 S604	L523-L563 HydrophobicContact CB-CD1 3.69Å; L523-L563 HydrophobicContact CB-CG 4.08Å; L523-L563 HydrophobicContact CD2-CD1 3.88Å; L523-L563 HydrophobicContact CD2-CG 4.26Å; L523-L563 HydrophobicContact CG-CD1 4.38Å; L523-L563 CarbonylContact O-C 3.55Å; L523-L563 VanDerWaalsContact O-CA 3.3Å; L523-L563 WeakPolarHBondContact O-CA 3.41Å; L563-L566 HydrophobicContact CD2-CD1 3.91Å; L563-L566 HydrophobicContact CD2-CD2 4.47Å; L563-L566 HydrophobicContact CD2-CG 4.38Å; L563-I574 HydrophobicContact CD2-CD1 4.43Å; L563-S602 PolarHBondContact N-O 2.72Å; L563-L603 HydrophobicContact CB-CD1 3.52Å; L563-L603 HydrophobicContact CB-CG 4.36Å; L563-L603 HydrophobicContact CD2-CD1 4.05Å; L563-L603 HydrophobicContact CG-CD1 4.35Å; L563-L603 WeakPolarHBondContact O-CA 3.43Å; L563-S604 PolarHBondContact O-N 2.94Å
564	S	40.4	Very low	41.3	Very low	30 Å²	30	41.8 Å²	41.8	21%	0.21	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	138.2	-172.1	61.7	0	0	0	0	116.3	L523 S524 G525 S604	L523-S564 PolarHBondContact O-N 3.23Å; S524-S564 CarbonylContact C-O 3.52Å; S524-S564 WeakPolarHBondContact CA-O 3.47Å; S524-S564 VanDerWaalsContact CB-O 3.22Å; S524-S564 WeakPolarHBondContact CB-O 3.41Å; S524-S564 WeakPolarHBondContact CB-OG 3.27Å; G525-S564 PolarHBondContact N-O 3.32Å; S564-S604 CarbonylContact C-O 3.43Å; S564-S604 WeakPolarHBondContact CA-O 3.3Å; S564-S604 WeakPolarHBondContact CB-O 3.29Å
565	G	40.4	Very low	42.7	Very low	26 Å²	26	44.2 Å²	44.2	27%	0.268	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.6	51.6	179.8	0	0	0	0	0	112	G525 L526 S567 S604	G525-G565 CarbonylContact C-O 3.58Å; G525-G565 WeakPolarHBondContact CA-O 3.23Å; G525-G565 PolarHBondContact N-O 3.32Å; L526-G565 CarbonylContact C-O 3.49Å; L526-G565 PolarHBondContact N-O 2.96Å; L526-G565 VanDerWaalsContact O-O 3.09Å; G565-S567 PolarHBondContact O-N 3.33Å; G565-S604 PolarHBondContact N-O 2.92Å; G565-S604 VanDerWaalsContact N-O 3.1Å
566	L	47.9	Very low	43.8	Very low	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	88	160.4	-56.4	-158.2	0	0	0	105.7	L526 L563 Q572 I574 G605 L606 S607 Q612	L526-L566 HydrophobicContact CB-CD2 3.62Å; L526-L566 HydrophobicContact CD1-CD2 3.19Å; L526-L566 HydrophobicContact CG-CD2 3.57Å; L563-L566 HydrophobicContact CD2-CD1 3.91Å; L563-L566 HydrophobicContact CD2-CD2 4.47Å; L563-L566 HydrophobicContact CD2-CG 4.38Å; L566-Q572 VanDerWaalsContact C-NE2 3.33Å; L566-Q572 VanDerWaalsContact CB-OE1 3.28Å; L566-I574 HydrophobicContact CD1-CD1 3.69Å; L566-G605 CarbonylContact C-O 3.34Å; L566-G605 PolarHBondContact N-O 2.71Å; L566-L606 HydrophobicContact CB-CD2 3.68Å; L566-L606 HydrophobicContact CD1-CD2 3.47Å; L566-L606 VanDerWaalsContact CD1-CD2 3.47Å; L566-L606 HydrophobicContact CG-CD2 3.48Å; L566-L606 VanDerWaalsContact CG-CD2 3.48Å; L566-S607 PolarHBondContact O-N 3.12Å; L566-S607 VanDerWaalsContact O-N 3.09Å; L566-Q612 PolarHBondContact O-NE2 3.25Å
567	S	47.5	Very low	45.1	Very low	45 Å²	45	42.6 Å²	42.6	32%	0.315	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.1	179.1	58.3	0	0	0	0	110.1	L526 S527 G528 G565 Q572 S607	L526-S567 PolarHBondContact O-N 2.96Å; S527-S567 VanDerWaalsContact CA-O 3.29Å; S527-S567 WeakPolarHBondContact CA-O 3.22Å; G528-S567 PolarHBondContact N-O 3.17Å; G565-S567 PolarHBondContact O-N 3.33Å; S567-Q572 VanDerWaalsContact N-NE2 3.17Å; S567-Q572 PolarHBondContact O-NE2 3.25Å; S567-Q572 VanDerWaalsContact O-NE2 3.15Å; S567-S607 WeakPolarHBondContact CA-O 3.3Å
568	G	49.3	Very low	46.5	Very low	14 Å²	14	42.5 Å²	42.5	14%	0.144	23%	0.231	C	C	.	.			trans	-168.5	144.8	172.8	0	0	0	0	0	110.7	G528 N570 S607 G608	G528-G568 WeakPolarHBondContact O-CA 3.42Å; G568-N570 VanDerWaalsContact C-N 3.27Å; G568-S607 PolarHBondContact N-O 3.13Å; G568-G608 WeakPolarHBondContact O-CA 3.22Å
569	E	51.3	Low	47.4	Very low	107 Å²	107	36.8 Å²	36.8	50%	0.5	21%	0.213	S	C	.	.	S	Bend	trans	-60.1	-44.4	175.4	-66.2	175	174.8	0	0	109.6	N610	E569-N610 PolarHBondContact O-N 2.87Å; E569-N610 PolarHBondContact O-ND2 3.42Å
570	N	56.8	Low	48	Very low	60 Å²	60	36.2 Å²	36.2	32%	0.321	21%	0.213	S	C	.	.	S	Bend	trans	-91.3	126.9	172.6	-66.9	-55.4	0	0	0	111.4	E529 N530 G531 G568 Q572 N610	E529-N570 WeakPolarHBondContact O-CB 3.33Å; E529-N570 PolarHBondContact O-N 3.03Å; E529-N570 PolarHBondContact O-ND2 2.91Å; N530-N570 PolarHBondContact OD1-ND2 2.98Å; G531-N570 WeakPolarHBondContact CA-O 2.99Å; G531-N570 VanDerWaalsContact N-CB 3.3Å; G568-N570 VanDerWaalsContact C-N 3.27Å; N570-Q572 PolarHBondContact O-N 3.07Å; N570-N610 PolarHBondContact OD1-ND2 3.11Å
571	G	56.5	Low	48.9	Very low	18 Å²	18	34.3 Å²	34.3	19%	0.186	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-54.8	131.7	-172.5	0	0	0	0	0	113.5	N610	G571-N610 WeakPolarHBondContact CA-O 3.45Å; G571-N610 VanDerWaalsContact N-CB 3.32Å; G571-N610 PolarHBondContact N-O 3.34Å
572	Q	58.3	Low	49.7	Very low	3 Å²	3	34.2 Å²	34.2	1%	0.014	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-76.3	141.6	178.2	-58.1	-173.4	14.3	0	0	110.7	L526 L566 S567 N570 Q612 V613	L526-Q572 PolarHBondContact O-NE2 3.44Å; L566-Q572 VanDerWaalsContact C-NE2 3.33Å; L566-Q572 VanDerWaalsContact CB-OE1 3.28Å; S567-Q572 VanDerWaalsContact N-NE2 3.17Å; S567-Q572 PolarHBondContact O-NE2 3.25Å; S567-Q572 VanDerWaalsContact O-NE2 3.15Å; N570-Q572 PolarHBondContact O-N 3.07Å; Q572-Q612 WeakPolarHBondContact O-CA 3.48Å; Q572-V613 PolarHBondContact O-N 2.73Å
573	V	60.8	Low	50.2	Low	32 Å²	32	35.4 Å²	35.4	19%	0.194	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126	179.3	-172.2	0	0	0	0	110.8	Q532 V533 I534 Y575 V613 Y615	Q532-V573 PolarHBondContact O-N 3.17Å; V533-V573 CarbonylContact C-O 3.58Å; V533-V573 WeakPolarHBondContact CA-O 3.37Å; V533-V573 HydrophobicContact CG1-CB 4.38Å; V533-V573 HydrophobicContact CG2-CB 4.48Å; I534-V573 PolarHBondContact N-O 3.37Å; V573-Y575 HydrophobicContact CB-CE2 4.25Å; V573-Y575 HydrophobicContact CG1-CD2 4.01Å; V573-Y575 HydrophobicContact CG1-CE1 4.44Å; V573-Y575 HydrophobicContact CG1-CE2 3.32Å; V573-V613 CarbonylContact C-O 3.54Å; V573-V613 WeakPolarHBondContact CA-O 3.47Å; V573-Y615 HydrophobicContact CG1-CD2 3.92Å; V573-Y615 HydrophobicContact CG1-CE2 3.8Å
574	I	57.8	Low	50.5	Low	10 Å²	10	35.7 Å²	35.7	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.1	178.9	-53.6	177.8	0	0	0	109.7	I534 L563 L566 I576 V613 I614 Y615	I534-I574 HydrophobicContact CB-CG1 4.42Å; I534-I574 HydrophobicContact CB-CG2 4.41Å; I534-I574 HydrophobicContact CD1-CG1 4.42Å; I534-I574 CarbonylContact O-C 3.59Å; I534-I574 WeakPolarHBondContact O-CA 3.46Å; L563-I574 HydrophobicContact CD2-CD1 4.43Å; L566-I574 HydrophobicContact CD1-CD1 3.69Å; I574-I576 HydrophobicContact CG2-CD1 4.27Å; I574-I576 HydrophobicContact CG2-CG1 3.89Å; I574-V613 PolarHBondContact N-O 2.91Å; I574-I614 HydrophobicContact CB-CG1 4.36Å; I574-I614 HydrophobicContact CB-CG2 4.36Å; I574-I614 HydrophobicContact CD1-CG1 4.45Å; I574-I614 CarbonylContact O-C 3.6Å; I574-I614 WeakPolarHBondContact O-CA 3.35Å; I574-Y615 PolarHBondContact O-N 2.78Å
575	Y	56.3	Low	50.3	Low	80 Å²	80	34.8 Å²	34.8	31%	0.314	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.1	170.4	-61.6	-88	0	0	0	109.8	V533 I534 Y535 I536 V573 Y615	V533-Y575 HydrophobicContact CG1-CD2 3.86Å; V533-Y575 HydrophobicContact CG1-CE2 3.66Å; I534-Y575 PolarHBondContact O-N 3.5Å; Y535-Y575 CarbonylContact C-O 3.42Å; Y535-Y575 WeakPolarHBondContact CA-O 3.38Å; Y535-Y575 AromaticContact CD1-CD2 3.68Å; Y535-Y575 HydrophobicContact CD1-CD2 3.68Å; Y535-Y575 AromaticContact CD1-CG 3.85Å; Y535-Y575 HydrophobicContact CD1-CG 3.85Å; Y535-Y575 AromaticContact CE1-CD2 3.31Å; Y535-Y575 HydrophobicContact CE1-CD2 3.31Å; Y535-Y575 AromaticContact CE1-CE2 3.8Å; Y535-Y575 HydrophobicContact CE1-CE2 3.8Å; Y535-Y575 AromaticContact CE1-CG 3.76Å; Y535-Y575 HydrophobicContact CE1-CG 3.76Å; Y535-Y575 HydrophobicContact CG-CD2 4.44Å; Y535-Y575 AromaticContact CZ-CD2 3.82Å; I536-Y575 PolarHBondContact N-O 3.2Å; V573-Y575 HydrophobicContact CB-CE2 4.25Å; V573-Y575 HydrophobicContact CG1-CD2 4.01Å; V573-Y575 HydrophobicContact CG1-CE1 4.44Å; V573-Y575 HydrophobicContact CG1-CE2 3.32Å; Y575-Y615 CarbonylContact C-O 3.49Å; Y575-Y615 WeakPolarHBondContact CA-O 2.99Å; Y575-Y615 AromaticContact CD1-CD2 3.67Å; Y575-Y615 HydrophobicContact CD1-CD2 3.67Å; Y575-Y615 AromaticContact CD1-CG 3.83Å; Y575-Y615 HydrophobicContact CD1-CG 3.83Å; Y575-Y615 AromaticContact CE1-CD2 3.25Å; Y575-Y615 HydrophobicContact CE1-CD2 3.25Å; Y575-Y615 AromaticContact CE1-CE2 3.77Å; Y575-Y615 HydrophobicContact CE1-CE2 3.77Å; Y575-Y615 AromaticContact CE1-CG 3.68Å; Y575-Y615 HydrophobicContact CE1-CG 3.68Å; Y575-Y615 HydrophobicContact CG-CD2 4.45Å; Y575-Y615 AromaticContact CZ-CD2 3.76Å; Y575-Y615 AromaticContact CZ-CE2 3.95Å
576	I	51.4	Low	50.2	Low	31 Å²	31	36.4 Å²	36.4	16%	0.159	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	111.8	176.4	-53.3	-179.6	0	0	0	108	I536 M538 I574 Y615 I616 T617	I536-I576 HydrophobicContact CB-CG1 4.42Å; I536-I576 HydrophobicContact CB-CG2 4.49Å; I536-I576 HydrophobicContact CD1-CG1 4.41Å; I536-I576 CarbonylContact O-C 3.55Å; I536-I576 WeakPolarHBondContact O-CA 3.39Å; M538-I576 HydrophobicContact CE-CG2 4.29Å; I574-I576 HydrophobicContact CG2-CD1 4.27Å; I574-I576 HydrophobicContact CG2-CG1 3.89Å; I576-Y615 PolarHBondContact N-O 2.98Å; I576-I616 HydrophobicContact CB-CG1 4.38Å; I576-I616 HydrophobicContact CD1-CG1 4.4Å; I576-I616 CarbonylContact O-C 3.49Å; I576-I616 VanDerWaalsContact O-CA 3.3Å; I576-I616 WeakPolarHBondContact O-CA 3.26Å; I576-T617 PolarHBondContact O-N 3.38Å
577	T	51.3	Low	49.6	Very low	36 Å²	36	38.7 Å²	38.7	22%	0.221	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.5	176.2	-57.9	0	0	0	0	110.5	I536 T537 M538 N579 T617	I536-T577 PolarHBondContact O-N 2.75Å; T537-T577 CarbonylContact C-O 3.48Å; T537-T577 WeakPolarHBondContact CA-O 2.73Å; M538-T577 PolarHBondContact N-O 2.79Å; T577-N579 WeakPolarHBondContact CG2-OD1 3.36Å; T577-T617 CarbonylContact C-O 3.17Å; T577-T617 WeakPolarHBondContact CA-O 3.41Å
578	M	51.4	Low	48.9	Very low	21 Å²	21	39.5 Å²	39.5	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.9	176.8	-70.4	-178.8	-86.6	0	0	109.3	M538 P553 I616 T617 M618 N619	M538-M578 HydrophobicContact CB-CG 4.39Å; M538-M578 HydrophobicContact CE-CG 3.36Å; M538-M578 HydrophobicContact CE-SD 3.64Å; M538-M578 CarbonylContact O-C 3.56Å; M538-M578 WeakPolarHBondContact O-CA 3.37Å; P553-M578 HydrophobicContact CG-SD 4.09Å; M578-I616 HydrophobicContact CE-CG2 3.83Å; M578-T617 PolarHBondContact N-O 2.84Å; M578-M618 HydrophobicContact CB-CG 4.26Å; M578-M618 HydrophobicContact CE-CG 3.29Å; M578-M618 HydrophobicContact CE-SD 3.78Å; M578-M618 CarbonylContact O-C 3.39Å; M578-M618 HydrophobicContact SD-CG 4.35Å; M578-N619 PolarHBondContact O-N 2.97Å
579	N	49.2	Very low	48	Very low	48 Å²	48	39.4 Å²	39.4	26%	0.257	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.8	178.9	-56.8	-43.8	0	0	0	110.3	M538 N539 S540 T577 N619	M538-N579 PolarHBondContact O-N 2.74Å; N539-N579 CarbonylContact C-O 3.52Å; N539-N579 WeakPolarHBondContact CA-O 3.37Å; N539-N579 WeakPolarHBondContact OD1-CB 3.37Å; N539-N579 PolarHBondContact OD1-ND2 3.43Å; S540-N579 PolarHBondContact N-O 3.33Å; S540-N579 PolarHBondContact OG-O 3.04Å; S540-N579 VanDerWaalsContact OG-O 3.11Å; T577-N579 WeakPolarHBondContact CG2-OD1 3.36Å; N579-N619 WeakPolarHBondContact CA-O 3.48Å; N579-N619 WeakPolarHBondContact OD1-CB 3.14Å; N579-N619 PolarHBondContact OD1-ND2 3.13Å
580	S	47.2	Very low	46.8	Very low	16 Å²	16	40.4 Å²	40.4	11%	0.112	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.2	175.8	52.2	0	0	0	0	110.2	S540 N619 S620 S621	S540-S580 WeakPolarHBondContact O-CA 3.09Å; S580-N619 PolarHBondContact N-O 2.77Å; S580-N619 PolarHBondContact OG-O 2.95Å; S580-S620 WeakPolarHBondContact O-CA 3.33Å; S580-S620 WeakPolarHBondContact OG-CB 3.32Å; S580-S621 PolarHBondContact O-N 3.1Å
581	S	47.4	Very low	45.4	Very low	54 Å²	54	38.2 Å²	38.2	38%	0.378	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.5	179.3	60.8	0	0	0	0	113.1	S540 S541 G542 S621	S540-S581 PolarHBondContact O-N 3.16Å; S541-S581 VanDerWaalsContact CA-O 3.31Å; S541-S581 WeakPolarHBondContact CA-O 3.42Å; G542-S581 PolarHBondContact N-O 2.98Å; S581-S621 VanDerWaalsContact CA-O 3.29Å; S581-S621 WeakPolarHBondContact CA-O 3.37Å
582	G	48	Very low	44.1	Very low	14 Å²	14	38.1 Å²	38.1	14%	0.144	21%	0.205	C	C	.	.	S	Bend	trans	154.7	155.6	174.3	0	0	0	0	0	114.4	S585 S621	G582-S585 PolarHBondContact O-OG 2.89Å; G582-S621 PolarHBondContact N-O 3.43Å
583	P	46.7	Very low	42.8	Very low	57 Å²	57	39.3 Å²	39.3	37%	0.37	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	133.7	174.9	25.5	-31.2	0	0	0	110.9	P543 N544 P623	P543-P583 HydrophobicContact CB-CG 3.88Å; N544-P583 PolarHBondContact N-O 2.75Å; P583-P623 HydrophobicContact CB-CG 3.95Å
584	N	45.3	Very low	41.3	Very low	48 Å²	48	38.5 Å²	38.5	26%	0.257	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	38	-177.4	-53.4	-40.3	0	0	0	114.6	N544 H586 P623 N624	N544-N584 PolarHBondContact OD1-ND2 2.79Å; N584-H586 PolarHBondContact O-CD2 2.76Å; N584-H586 PolarHBondContact O-N 2.8Å; N584-P623 PolarHBondContact N-O 3.29Å; N584-N624 PolarHBondContact OD1-ND2 2.74Å
585	S	36.4	Very low	40	Very low	10 Å²	10	41.3 Å²	41.3	7%	0.07	22%	0.224	C	C	.	.			trans	-79.2	94.4	171.9	46.5	0	0	0	0	110.3	G582 H587	G582-S585 PolarHBondContact O-OG 2.89Å; S585-H587 PolarHBondContact O-N 3.48Å
586	H	37	Very low	38.5	Very low	61 Å²	61	39 Å²	39	28%	0.282	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.5	173.3	-64	-84.7	0	0	0	109.9	H546 N584 H626	H546-H586 AromaticContact CE1-CD2 3.82Å; H546-H586 AromaticContact CE1-NE2 3.89Å; H546-H586 AromaticContact ND1-CD2 3.57Å; N584-H586 PolarHBondContact O-CD2 2.76Å; N584-H586 PolarHBondContact O-N 2.8Å; H586-H626 AromaticContact CE1-CD2 3.45Å; H586-H626 PolarHBondContact CE1-CD2 2.83Å; H586-H626 VanDerWaalsContact CE1-CD2 3.45Å; H586-H626 AromaticContact CE1-NE2 3.88Å; H586-H626 AromaticContact ND1-CD2 3.3Å; H586-H626 PolarHBondContact ND1-CD2 2.87Å; H586-H626 VanDerWaalsContact ND1-CD2 3.3Å
587	H	36.1	Very low	37.3	Very low	48 Å²	48	38.2 Å²	38.2	22%	0.222	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	109.3	167.8	-131.9	-94.9	0	0	0	107.8	S585 P589 H626	S585-H587 PolarHBondContact O-N 3.48Å; H587-P589 WeakPolarHBondContact O-CD 3.32Å; H587-H626 CarbonylContact C-O 3.53Å; H587-H626 PolarHBondContact N-O 2.81Å
588	L	31.6	Very low	36.2	Very low	61 Å²	61	45 Å²	45	32%	0.319	24%	0.24	S	C	.	.			trans	-95.5	82.5	163.2	-71.4	165.8	0	0	0	107	L548 F590 L628	L548-L588 HydrophobicContact CD2-CD1 3.91Å; L588-F590 PolarHBondContact O-N 2.95Å; L588-L628 HydrophobicContact CD2-CB 4.15Å; L588-L628 HydrophobicContact CD2-CD1 3.69Å; L588-L628 HydrophobicContact CD2-CG 4.45Å
589	P	31.5	Very low	35	Very low	12 Å²	12	52.7 Å²	52.7	8%	0.078	27%	0.268	C	S	.	.			trans	-73.9	80.6	178.8	33.2	-36	0	0	0	109.4	H587 S591	H587-P589 WeakPolarHBondContact O-CD 3.32Å; P589-S591 VanDerWaalsContact C-N 3.34Å; P589-S591 PolarHBondContact O-N 3.15Å; P589-S591 VanDerWaalsContact O-N 3.1Å
590	F	26.1	Very low	34	Very low	128 Å²	128	55.1 Å²	55.1	56%	0.561	28%	0.281	S	S	*	.			trans	-70	101.7	152.2	-85.6	-74.1	0	0	0	107.3	P552 L588 F630	P552-F590 WeakPolarHBondContact CD-O 3.31Å; L588-F590 PolarHBondContact O-N 2.95Å; F590-F630 HydrophobicContact CE1-CB 4.32Å
591	S	27.5	Very low	33.3	Very low	14 Å²	14	55.4 Å²	55.4	10%	0.098	29%	0.287	C	S	.	.	S	Bend	trans	67.1	129.6	166.2	-43.7	0	0	0	0	115.5	P552 P589 P634	P552-S591 WeakPolarHBondContact CD-O 3.24Å; P552-S591 WeakPolarHBondContact CG-O 3.3Å; P589-S591 VanDerWaalsContact C-N 3.34Å; P589-S591 PolarHBondContact O-N 3.15Å; P589-S591 VanDerWaalsContact O-N 3.1Å; S591-P634 VanDerWaalsContact OG-CD 3.31Å; S591-P634 WeakPolarHBondContact OG-CD 3.34Å
592	P	29.8	Very low	32.7	Very low	17 Å²	17	54.7 Å²	54.7	11%	0.11	28%	0.281	C	S	.	.	S	Bend	trans	-44.6	147.6	155.4	-20.3	28.8	0	0	0	109.4	P594 M618 P633 I656	P592-P594 VanDerWaalsContact O-CD 3.24Å; P592-P594 WeakPolarHBondContact O-CD 3.47Å; P592-M618 HydrophobicContact CG-CE 4.46Å; P592-P633 HydrophobicContact CB-CG 4.27Å; P592-P633 HydrophobicContact CG-CB 4.37Å; P592-P633 HydrophobicContact CG-CG 3.91Å; P592-I656 HydrophobicContact CB-CD1 4.19Å; P592-I656 HydrophobicContact CG-CD1 4.1Å; P592-I656 HydrophobicContact CG-CG2 4.37Å
593	P	29.7	Very low	32.2	Very low	28 Å²	28	55.2 Å²	55.2	18%	0.182	28%	0.281	C	S	.	.			trans	-39.4	107.5	-161.8	14.9	-30.5	0	0	0	111.1	L595	P593-L595 PolarHBondContact O-N 2.74Å
594	P	30.2	Very low	31.9	Very low	14 Å²	14	54 Å²	54	9%	0.091	27%	0.273	C	S	.	.			trans	-59.8	119.1	176.5	-7.9	10.7	0	0	0	107.3	S556 P592 S596	S556-P594 PolarHBondContact OG-O 3.22Å; P592-P594 VanDerWaalsContact O-CD 3.24Å; P592-P594 WeakPolarHBondContact O-CD 3.47Å; P594-S596 WeakPolarHBondContact CB-OG 3.36Å; P594-S596 PolarHBondContact O-N 3.11Å
595	L	29.6	Very low	31.6	Very low	70 Å²	70	52.8 Å²	52.8	37%	0.366	27%	0.273	S	S	.	.			trans	-69.5	42.3	166.3	-67.2	172.3	0	0	0	110.3	L555 P593 L603 L643	L555-L595 HydrophobicContact CB-CD2 4.35Å; L555-L595 HydrophobicContact CD1-CD2 4.05Å; P593-L595 PolarHBondContact O-N 2.74Å; L595-L603 HydrophobicContact CD2-CD1 4.49Å; L595-L643 HydrophobicContact CD1-CD1 3.72Å; L595-L643 HydrophobicContact CD1-CG 4.5Å
596	S	24.9	Very low	32.1	Very low	32 Å²	32	52.5 Å²	52.5	22%	0.224	27%	0.271	C	S	.	.			trans	-127.7	84.6	-173.4	62.3	0	0	0	0	110	S556 P594 S636	S556-S596 WeakPolarHBondContact CB-O 3.25Å; S556-S596 PolarHBondContact OG-O 3.43Å; P594-S596 WeakPolarHBondContact CB-OG 3.36Å; P594-S596 PolarHBondContact O-N 3.11Å; S596-S636 VanDerWaalsContact CB-O 3.23Å; S596-S636 WeakPolarHBondContact CB-O 3.09Å
597	G	26.2	Very low	32.5	Very low	14 Å²	14	51.9 Å²	51.9	14%	0.144	27%	0.273	C	S	.	.			trans	-79.1	134.4	165.7	0	0	0	0	0	110.5	R599	G597-R599 VanDerWaalsContact C-N 3.3Å; G597-R599 PolarHBondContact O-N 2.75Å
598	R	28.1	Very low	33.1	Very low	177 Å²	177	50.2 Å²	50.2	67%	0.668	27%	0.269	S	S	*	.	S	Bend	trans	-65.5	98.8	153.8	-79	-172.3	-179.5	-134.6	6.8	106.8
599	R	26	Very low	34	Very low	184 Å²	184	52.6 Å²	52.6	69%	0.694	28%	0.278	S	S	*	.	S	Bend	trans	95.3	117.5	-174.8	-60.7	-176.2	175.6	-151.5	-3.1	115	R559 G597 G601	R559-R599 CarbonylContact C-O 3.53Å; G597-R599 VanDerWaalsContact C-N 3.3Å; G597-R599 PolarHBondContact O-N 2.75Å; R599-G601 PolarHBondContact O-N 2.75Å
600	N	29.3	Very low	35.2	Very low	98 Å²	98	55 Å²	55	52%	0.524	29%	0.291	S	S	.	.			trans	33.2	62.5	152.2	-58.9	17.3	0	0	0	119	N560 N640	N560-N600 WeakPolarHBondContact CA-O 3.44Å; N600-N640 WeakPolarHBondContact CA-O 3.16Å
601	G	31.9	Very low	36.5	Very low	23 Å²	23	49.8 Å²	49.8	24%	0.237	27%	0.273	C	S	.	.			trans	-112	128	157.3	0	0	0	0	0	109.2	R599 G641	R599-G601 PolarHBondContact O-N 2.75Å; G601-G641 WeakPolarHBondContact O-CA 3.47Å
602	S	35.5	Very low	38	Very low	38 Å²	38	49.4 Å²	49.4	27%	0.266	27%	0.269	S	S	.	.			trans	-117.6	137.6	175.4	42.5	0	0	0	0	109.7	S562 L563 S642	S562-S602 VanDerWaalsContact CA-O 3.22Å; S562-S602 WeakPolarHBondContact CA-O 3.44Å; S562-S602 VanDerWaalsContact CB-O 3.3Å; S562-S602 WeakPolarHBondContact CB-O 3.42Å; L563-S602 PolarHBondContact N-O 2.72Å; S602-S642 WeakPolarHBondContact CA-O 3.3Å; S602-S642 WeakPolarHBondContact CB-O 3.3Å
603	L	37.6	Very low	39.4	Very low	25 Å²	25	49.9 Å²	49.9	13%	0.131	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.8	162.6	-158.9	93.8	0	0	0	104.5	L563 L595 L606 S642 L643 S644 L646	L563-L603 HydrophobicContact CB-CD1 3.52Å; L563-L603 HydrophobicContact CB-CG 4.36Å; L563-L603 HydrophobicContact CD2-CD1 4.05Å; L563-L603 HydrophobicContact CG-CD1 4.35Å; L563-L603 WeakPolarHBondContact O-CA 3.43Å; L595-L603 HydrophobicContact CD2-CD1 4.49Å; L603-L606 HydrophobicContact CD2-CD1 3.96Å; L603-L606 HydrophobicContact CD2-CG 4.42Å; L603-S642 PolarHBondContact N-O 2.73Å; L603-L643 HydrophobicContact CB-CG 4.19Å; L603-L643 HydrophobicContact CD2-CD2 4.07Å; L603-L643 HydrophobicContact CD2-CG 4.42Å; L603-S644 PolarHBondContact O-N 2.88Å; L603-S644 VanDerWaalsContact O-N 3.09Å; L603-L646 HydrophobicContact CD2-CD2 4.41Å
604	S	39.6	Very low	40.6	Very low	31 Å²	31	49.7 Å²	49.7	22%	0.217	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135.2	-170.6	60.8	0	0	0	0	115.4	L563 S564 G565 S644	L563-S604 PolarHBondContact O-N 2.94Å; S564-S604 CarbonylContact C-O 3.43Å; S564-S604 WeakPolarHBondContact CA-O 3.3Å; S564-S604 WeakPolarHBondContact CB-O 3.29Å; G565-S604 PolarHBondContact N-O 2.92Å; G565-S604 VanDerWaalsContact N-O 3.1Å; S604-S644 WeakPolarHBondContact CA-O 3.4Å
605	G	39.2	Very low	41.9	Very low	24 Å²	24	52.7 Å²	52.7	25%	0.247	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80	50.6	178.9	0	0	0	0	0	112	L566 S644	L566-G605 CarbonylContact C-O 3.34Å; L566-G605 PolarHBondContact N-O 2.71Å; G605-S644 PolarHBondContact N-O 2.93Å
606	L	45.9	Very low	42.9	Very low	4 Å²	4	50.1 Å²	50.1	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	85.5	158.9	-56.2	-154.8	0	0	0	105.3	L566 L603 Q612 G645 L646 S647 Q652	L566-L606 HydrophobicContact CB-CD2 3.68Å; L566-L606 HydrophobicContact CD1-CD2 3.47Å; L566-L606 VanDerWaalsContact CD1-CD2 3.47Å; L566-L606 HydrophobicContact CG-CD2 3.48Å; L566-L606 VanDerWaalsContact CG-CD2 3.48Å; L603-L606 HydrophobicContact CD2-CD1 3.96Å; L603-L606 HydrophobicContact CD2-CG 4.42Å; L606-Q612 VanDerWaalsContact C-NE2 3.27Å; L606-Q612 VanDerWaalsContact CA-NE2 3.33Å; L606-G645 CarbonylContact C-O 3.6Å; L606-G645 WeakPolarHBondContact CA-O 3.45Å; L606-G645 PolarHBondContact N-O 2.87Å; L606-L646 HydrophobicContact CB-CD2 3.76Å; L606-L646 HydrophobicContact CD1-CD2 3.52Å; L606-L646 HydrophobicContact CG-CD2 3.54Å; L606-S647 PolarHBondContact O-N 3Å; L606-Q652 PolarHBondContact O-NE2 3.43Å
607	S	46.3	Very low	44.2	Very low	47 Å²	47	50.3 Å²	50.3	33%	0.329	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.7	-179.4	58.1	0	0	0	0	110.3	L566 S567 G568 Q612 S647	L566-S607 PolarHBondContact O-N 3.12Å; L566-S607 VanDerWaalsContact O-N 3.09Å; S567-S607 WeakPolarHBondContact CA-O 3.3Å; G568-S607 PolarHBondContact N-O 3.13Å; S607-Q612 VanDerWaalsContact N-NE2 3.15Å; S607-Q612 PolarHBondContact O-NE2 2.82Å; S607-S647 WeakPolarHBondContact CA-O 3.25Å
608	G	49.3	Very low	45.5	Very low	14 Å²	14	50 Å²	50	14%	0.144	26%	0.261	C	S	.	.			trans	-173	149.4	174.1	0	0	0	0	0	110.8	G568 N610 S647 G648	G568-G608 WeakPolarHBondContact O-CA 3.22Å; G608-N610 VanDerWaalsContact C-N 3.29Å; G608-S647 PolarHBondContact N-O 2.96Å; G608-G648 WeakPolarHBondContact O-CA 3.27Å
609	E	50.3	Low	46.6	Very low	110 Å²	110	43.9 Å²	43.9	51%	0.514	24%	0.241	S	C	.	.	S	Bend	trans	-61.7	-44.2	176.6	-64.6	177.2	172.3	0	0	109.7	N650	E609-N650 PolarHBondContact O-N 3.23Å
610	N	55.5	Low	47.7	Very low	64 Å²	64	35.3 Å²	35.3	34%	0.342	21%	0.209	S	C	.	.	S	Bend	trans	-89.6	123.4	172.3	-69.7	-44.5	0	0	0	110.6	E569 N570 G571 G608 N650	E569-N610 PolarHBondContact O-N 2.87Å; E569-N610 PolarHBondContact O-ND2 3.42Å; N570-N610 PolarHBondContact OD1-ND2 3.11Å; G571-N610 WeakPolarHBondContact CA-O 3.45Å; G571-N610 VanDerWaalsContact N-CB 3.32Å; G571-N610 PolarHBondContact N-O 3.34Å; G608-N610 VanDerWaalsContact C-N 3.29Å; N610-N650 PolarHBondContact OD1-ND2 3.03Å
611	G	55.1	Low	48.7	Very low	17 Å²	17	33.1 Å²	33.1	18%	0.175	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-54	138.9	-174.8	0	0	0	0	0	114.4	N650	G611-N650 WeakPolarHBondContact CA-O 3.45Å; G611-N650 PolarHBondContact N-O 3.19Å
612	Q	57.5	Low	49.6	Very low	6 Å²	6	32.8 Å²	32.8	3%	0.028	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-78.2	138.5	177.3	-57.2	-172.6	9.9	0	0	110.8	L566 Q572 L606 S607 Q652 V653	L566-Q612 PolarHBondContact O-NE2 3.25Å; Q572-Q612 WeakPolarHBondContact O-CA 3.48Å; L606-Q612 VanDerWaalsContact C-NE2 3.27Å; L606-Q612 VanDerWaalsContact CA-NE2 3.33Å; S607-Q612 VanDerWaalsContact N-NE2 3.15Å; S607-Q612 PolarHBondContact O-NE2 2.82Å; Q612-Q652 HydrophobicContact CB-CG 4.45Å; Q612-Q652 WeakPolarHBondContact O-CA 3.34Å; Q612-V653 PolarHBondContact O-N 2.76Å
613	V	59.2	Low	50.3	Low	28 Å²	28	34.1 Å²	34.1	17%	0.17	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.8	-176.5	-171.3	0	0	0	0	111.2	Q572 V573 I574 Y615 V653 Y655	Q572-V613 PolarHBondContact O-N 2.73Å; V573-V613 CarbonylContact C-O 3.54Å; V573-V613 WeakPolarHBondContact CA-O 3.47Å; I574-V613 PolarHBondContact N-O 2.91Å; V613-Y615 HydrophobicContact CB-CE2 4.18Å; V613-Y615 HydrophobicContact CG1-CD2 3.95Å; V613-Y615 HydrophobicContact CG1-CE1 4.34Å; V613-Y615 HydrophobicContact CG1-CE2 3.31Å; V613-V653 CarbonylContact C-O 3.4Å; V613-V653 WeakPolarHBondContact CA-O 3.22Å; V613-Y655 HydrophobicContact CG1-CD2 3.84Å; V613-Y655 HydrophobicContact CG1-CE2 3.78Å
614	I	56.5	Low	50.8	Low	23 Å²	23	35.2 Å²	35.2	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.1	177.7	-53.6	177.8	0	0	0	109.6	I574 I616 V653 I654 Y655	I574-I614 HydrophobicContact CB-CG1 4.36Å; I574-I614 HydrophobicContact CB-CG2 4.36Å; I574-I614 HydrophobicContact CD1-CG1 4.45Å; I574-I614 CarbonylContact O-C 3.6Å; I574-I614 WeakPolarHBondContact O-CA 3.35Å; I614-I616 HydrophobicContact CG2-CD1 4.35Å; I614-I616 HydrophobicContact CG2-CG1 4Å; I614-V653 PolarHBondContact N-O 3.26Å; I614-I654 HydrophobicContact CB-CG1 4.31Å; I614-I654 HydrophobicContact CB-CG2 4.36Å; I614-I654 HydrophobicContact CD1-CG1 4.48Å; I614-I654 CarbonylContact O-C 3.58Å; I614-I654 VanDerWaalsContact O-CA 3.3Å; I614-I654 WeakPolarHBondContact O-CA 3.26Å; I614-Y655 PolarHBondContact O-N 2.84Å
615	Y	55.9	Low	50.8	Low	77 Å²	77	33.9 Å²	33.9	30%	0.302	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.1	171.7	-62.4	-87.1	0	0	0	110.1	V573 I574 Y575 I576 V613 Y655	V573-Y615 HydrophobicContact CG1-CD2 3.92Å; V573-Y615 HydrophobicContact CG1-CE2 3.8Å; I574-Y615 PolarHBondContact O-N 2.78Å; Y575-Y615 CarbonylContact C-O 3.49Å; Y575-Y615 WeakPolarHBondContact CA-O 2.99Å; Y575-Y615 AromaticContact CD1-CD2 3.67Å; Y575-Y615 HydrophobicContact CD1-CD2 3.67Å; Y575-Y615 AromaticContact CD1-CG 3.83Å; Y575-Y615 HydrophobicContact CD1-CG 3.83Å; Y575-Y615 AromaticContact CE1-CD2 3.25Å; Y575-Y615 HydrophobicContact CE1-CD2 3.25Å; Y575-Y615 AromaticContact CE1-CE2 3.77Å; Y575-Y615 HydrophobicContact CE1-CE2 3.77Å; Y575-Y615 AromaticContact CE1-CG 3.68Å; Y575-Y615 HydrophobicContact CE1-CG 3.68Å; Y575-Y615 HydrophobicContact CG-CD2 4.45Å; Y575-Y615 AromaticContact CZ-CD2 3.76Å; Y575-Y615 AromaticContact CZ-CE2 3.95Å; I576-Y615 PolarHBondContact N-O 2.98Å; V613-Y615 HydrophobicContact CB-CE2 4.18Å; V613-Y615 HydrophobicContact CG1-CD2 3.95Å; V613-Y615 HydrophobicContact CG1-CE1 4.34Å; V613-Y615 HydrophobicContact CG1-CE2 3.31Å; Y615-Y655 CarbonylContact C-O 3.57Å; Y615-Y655 WeakPolarHBondContact CA-O 3.33Å; Y615-Y655 AromaticContact CD1-CD2 3.72Å; Y615-Y655 HydrophobicContact CD1-CD2 3.72Å; Y615-Y655 AromaticContact CD1-CG 3.91Å; Y615-Y655 HydrophobicContact CD1-CG 3.91Å; Y615-Y655 AromaticContact CE1-CD2 3.28Å; Y615-Y655 HydrophobicContact CE1-CD2 3.28Å; Y615-Y655 AromaticContact CE1-CE2 3.86Å; Y615-Y655 HydrophobicContact CE1-CE2 3.86Å; Y615-Y655 AromaticContact CE1-CG 3.74Å; Y615-Y655 HydrophobicContact CE1-CG 3.74Å; Y615-Y655 AromaticContact CZ-CD2 3.81Å
616	I	51.4	Low	50.9	Low	17 Å²	17	35.9 Å²	35.9	9%	0.087	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.4	177.7	-53.4	179.3	0	0	0	108.6	I576 M578 I614 I654 Y655 I656 T657	I576-I616 HydrophobicContact CB-CG1 4.38Å; I576-I616 HydrophobicContact CD1-CG1 4.4Å; I576-I616 CarbonylContact O-C 3.49Å; I576-I616 VanDerWaalsContact O-CA 3.3Å; I576-I616 WeakPolarHBondContact O-CA 3.26Å; M578-I616 HydrophobicContact CE-CG2 3.83Å; I614-I616 HydrophobicContact CG2-CD1 4.35Å; I614-I616 HydrophobicContact CG2-CG1 4Å; I616-I654 HydrophobicContact CD1-CG2 4.38Å; I616-Y655 PolarHBondContact N-O 3.35Å; I616-I656 HydrophobicContact CB-CG1 4.38Å; I616-I656 HydrophobicContact CB-CG2 4.49Å; I616-I656 HydrophobicContact CD1-CG1 4.4Å; I616-I656 CarbonylContact O-C 3.55Å; I616-I656 VanDerWaalsContact O-CA 3.3Å; I616-I656 WeakPolarHBondContact O-CA 3.31Å; I616-T657 PolarHBondContact O-N 3.09Å
617	T	52.9	Low	50.5	Low	35 Å²	35	35.9 Å²	35.9	22%	0.215	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130	178.2	-56.4	0	0	0	0	110.3	I576 T577 M578 T657	I576-T617 PolarHBondContact O-N 3.38Å; T577-T617 CarbonylContact C-O 3.17Å; T577-T617 WeakPolarHBondContact CA-O 3.41Å; M578-T617 PolarHBondContact N-O 2.84Å; T617-T657 CarbonylContact C-O 3.59Å; T617-T657 WeakPolarHBondContact CA-O 3.26Å
618	M	52.9	Low	50	Low	9 Å²	9	36.9 Å²	36.9	4%	0.044	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.2	177.7	-73	175.8	-83.1	0	0	110	M578 P592 I656 T657 M658 N659	M578-M618 HydrophobicContact CB-CG 4.26Å; M578-M618 HydrophobicContact CE-CG 3.29Å; M578-M618 HydrophobicContact CE-SD 3.78Å; M578-M618 CarbonylContact O-C 3.39Å; M578-M618 HydrophobicContact SD-CG 4.35Å; P592-M618 HydrophobicContact CG-CE 4.46Å; M618-I656 HydrophobicContact CE-CG2 3.7Å; M618-T657 PolarHBondContact N-O 3.1Å; M618-M658 HydrophobicContact CB-CG 4.26Å; M618-M658 HydrophobicContact CE-CG 3.35Å; M618-M658 HydrophobicContact CE-SD 3.8Å; M618-M658 CarbonylContact O-C 3.6Å; M618-M658 HydrophobicContact SD-CG 4.36Å; M618-N659 PolarHBondContact O-N 2.87Å
619	N	51.3	Low	49.3	Very low	47 Å²	47	36.7 Å²	36.7	25%	0.251	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.8	179.9	-56.7	-42.5	0	0	0	111.1	M578 N579 S580 N659	M578-N619 PolarHBondContact O-N 2.97Å; N579-N619 WeakPolarHBondContact CA-O 3.48Å; N579-N619 WeakPolarHBondContact OD1-CB 3.14Å; N579-N619 PolarHBondContact OD1-ND2 3.13Å; S580-N619 PolarHBondContact N-O 2.77Å; S580-N619 PolarHBondContact OG-O 2.95Å; N619-N659 WeakPolarHBondContact CA-O 3.24Å; N619-N659 WeakPolarHBondContact OD1-CB 3.07Å; N619-N659 PolarHBondContact OD1-ND2 2.85Å
620	S	48.9	Very low	48.3	Very low	4 Å²	4	35.3 Å²	35.3	3%	0.028	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.9	176.4	53.4	0	0	0	0	111.1	S580 H627 N659 S661	S580-S620 WeakPolarHBondContact O-CA 3.33Å; S580-S620 WeakPolarHBondContact OG-CB 3.32Å; S620-H627 PolarHBondContact OG-CD2 2.76Å; S620-H627 PolarHBondContact OG-NE2 2.74Å; S620-N659 PolarHBondContact N-O 3.44Å; S620-N659 PolarHBondContact OG-O 3.05Å; S620-S661 PolarHBondContact O-N 2.83Å; S620-S661 PolarHBondContact O-OG 3.31Å
621	S	49.8	Very low	47.1	Very low	53 Å²	53	35 Å²	35	37%	0.371	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	133.5	-179.5	59.4	0	0	0	0	112.9	S580 S581 G582 S661	S580-S621 PolarHBondContact O-N 3.1Å; S581-S621 VanDerWaalsContact CA-O 3.29Å; S581-S621 WeakPolarHBondContact CA-O 3.37Å; G582-S621 PolarHBondContact N-O 3.43Å; S621-S661 WeakPolarHBondContact CA-O 3.04Å; S621-S661 WeakPolarHBondContact CB-OG 3.29Å
622	G	51.6	Low	46	Very low	16 Å²	16	35.5 Å²	35.5	17%	0.165	20%	0.199	C	C	.	.	S	Bend	trans	157.5	162.1	175.3	0	0	0	0	0	114	N624 S625 S661	G622-N624 PolarHBondContact O-N 2.92Å; G622-S625 PolarHBondContact O-OG 3.46Å; G622-S661 PolarHBondContact N-O 3.18Å
623	P	49.3	Very low	44.8	Very low	65 Å²	65	36.6 Å²	36.6	42%	0.422	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	126.1	168.6	25.9	-29.3	0	0	0	108.9	P583 N584 P663	P583-P623 HydrophobicContact CB-CG 3.95Å; N584-P623 PolarHBondContact N-O 3.29Å; P623-P663 HydrophobicContact CB-CG 4.49Å
624	N	48.3	Very low	43.4	Very low	49 Å²	49	37.4 Å²	37.4	26%	0.262	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	39.8	-176.1	-49.9	-34.2	0	0	0	116	N584 G622 H626 N664	N584-N624 PolarHBondContact OD1-ND2 2.74Å; G622-N624 PolarHBondContact O-N 2.92Å; N624-H626 PolarHBondContact O-CD2 2.86Å; N624-H626 VanDerWaalsContact O-CD2 3.22Å; N624-H626 PolarHBondContact O-N 2.97Å; N624-N664 PolarHBondContact OD1-ND2 2.76Å
625	S	39.9	Very low	42.1	Very low	2 Å²	2	39.2 Å²	39.2	1%	0.014	22%	0.222	C	C	.	.			trans	-80.9	96.4	171.6	51.2	0	0	0	0	111.6	G622 S661 S665	G622-S625 PolarHBondContact O-OG 3.46Å; S625-S661 PolarHBondContact OG-O 3.26Å; S625-S661 VanDerWaalsContact OG-O 3.13Å; S625-S665 WeakPolarHBondContact O-CA 3.35Å
626	H	40.8	Very low	40.7	Very low	67 Å²	67	38 Å²	38	31%	0.31	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.4	178.3	-58.7	-82.2	0	0	0	111.5	H586 H587 N624	H586-H626 AromaticContact CE1-CD2 3.45Å; H586-H626 PolarHBondContact CE1-CD2 2.83Å; H586-H626 VanDerWaalsContact CE1-CD2 3.45Å; H586-H626 AromaticContact CE1-NE2 3.88Å; H586-H626 AromaticContact ND1-CD2 3.3Å; H586-H626 PolarHBondContact ND1-CD2 2.87Å; H586-H626 VanDerWaalsContact ND1-CD2 3.3Å; H587-H626 CarbonylContact C-O 3.53Å; H587-H626 PolarHBondContact N-O 2.81Å; N624-H626 PolarHBondContact O-CD2 2.86Å; N624-H626 VanDerWaalsContact O-CD2 3.22Å; N624-H626 PolarHBondContact O-N 2.97Å
627	H	38.4	Very low	39.6	Very low	3 Å²	3	38.7 Å²	38.7	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	97.4	168	-94.4	-102.4	0	0	0	110.4	S620 A629 Y666 H667	S620-H627 PolarHBondContact OG-CD2 2.76Å; S620-H627 PolarHBondContact OG-NE2 2.74Å; H627-A629 PolarHBondContact O-N 2.8Å; H627-Y666 PolarHBondContact N-O 2.84Å; H627-Y666 VanDerWaalsContact O-O 3.08Å; H627-H667 WeakPolarHBondContact CB-ND1 3.05Å; H627-H667 AromaticContact CG-CE1 3.77Å; H627-H667 AromaticContact ND1-CE1 3.93Å
628	L	35.8	Very low	38.4	Very low	68 Å²	68	46.7 Å²	46.7	36%	0.356	26%	0.262	S	S	.	.			trans	-89.7	93.3	169.9	-69.5	168.6	0	0	0	109.1	L588 F630 N668	L588-L628 HydrophobicContact CD2-CB 4.15Å; L588-L628 HydrophobicContact CD2-CD1 3.69Å; L588-L628 HydrophobicContact CD2-CG 4.45Å; L628-F630 VanDerWaalsContact C-N 3.3Å; L628-F630 HydrophobicContact CB-CD2 4.25Å; L628-F630 HydrophobicContact CB-CE2 4.41Å; L628-F630 HydrophobicContact CD2-CE2 4.35Å; L628-F630 PolarHBondContact O-N 3.03Å; L628-N668 HydrophobicContact CD2-CB 3.93Å
629	A	34.4	Very low	37.1	Very low	10 Å²	10	56 Å²	56	8%	0.083	30%	0.297	C	S	.	.			trans	-82	64.2	-178.2	0	0	0	0	0	112.1	H627 S631 R669 Y670	H627-A629 PolarHBondContact O-N 2.8Å; A629-S631 PolarHBondContact O-N 3.46Å; A629-S631 VanDerWaalsContact O-N 3.12Å; A629-R669 VanDerWaalsContact O-O 3.08Å; A629-Y670 HydrophobicContact CB-CE1 4.46Å
630	F	29.1	Very low	36.1	Very low	81 Å²	81	58.5 Å²	58.5	36%	0.355	31%	0.31	S	S	.	.			trans	-78.5	99.7	170.5	-75.1	-77.3	0	0	0	110.5	F590 L628 F671	F590-F630 HydrophobicContact CE1-CB 4.32Å; L628-F630 VanDerWaalsContact C-N 3.3Å; L628-F630 HydrophobicContact CB-CD2 4.25Å; L628-F630 HydrophobicContact CB-CE2 4.41Å; L628-F630 HydrophobicContact CD2-CE2 4.35Å; L628-F630 PolarHBondContact O-N 3.03Å; F630-F671 HydrophobicContact CD1-CE2 4.49Å
631	S	29.1	Very low	35.3	Very low	57 Å²	57	59.6 Å²	59.6	40%	0.399	32%	0.322	S	S	.	.			trans	77.1	126	164	-51.2	0	0	0	0	117.5	A629	A629-S631 PolarHBondContact O-N 3.46Å; A629-S631 VanDerWaalsContact O-N 3.12Å
632	P	32.8	Very low	34.6	Very low	28 Å²	28	59 Å²	59	18%	0.182	32%	0.318	C	S	.	.	S	Bend	trans	-64.9	161.6	173.5	26.9	-33	0	0	0	111.9	P634 F671 T673 I696	P632-P634 VanDerWaalsContact O-CD 3.26Å; P632-P634 WeakPolarHBondContact O-CD 3.48Å; P632-P634 VanDerWaalsContact O-N 3.16Å; P632-F671 WeakPolarHBondContact CD-O 3.4Å; P632-F671 VanDerWaalsContact CG-O 3.26Å; P632-F671 WeakPolarHBondContact CG-O 3.36Å; P632-T673 HydrophobicContact CB-CG2 4.28Å; P632-T673 HydrophobicContact CG-CG2 4.2Å; P632-I696 HydrophobicContact CB-CD1 4.21Å
633	P	32.6	Very low	33.8	Very low	30 Å²	30	59.5 Å²	59.5	20%	0.195	32%	0.317	C	S	.	.			trans	-61.4	117.4	-158.2	22.1	-27.9	0	0	0	112	P592 L635	P592-P633 HydrophobicContact CB-CG 4.27Å; P592-P633 HydrophobicContact CG-CB 4.37Å; P592-P633 HydrophobicContact CG-CG 3.91Å; P633-L635 PolarHBondContact O-N 3.21Å
634	P	30.1	Very low	33.3	Very low	45 Å²	45	58 Å²	58	29%	0.292	31%	0.308	S	S	.	.			trans	-73.3	115.5	164.8	21.6	-16.2	0	0	0	107.9	S591 P632 S636	S591-P634 VanDerWaalsContact OG-CD 3.31Å; S591-P634 WeakPolarHBondContact OG-CD 3.34Å; P632-P634 VanDerWaalsContact O-CD 3.26Å; P632-P634 WeakPolarHBondContact O-CD 3.48Å; P632-P634 VanDerWaalsContact O-N 3.16Å; P634-S636 PolarHBondContact O-N 3.2Å
635	L	29.6	Very low	32.8	Very low	61 Å²	61	56.7 Å²	56.7	32%	0.319	31%	0.306	S	S	.	.			trans	-66.4	67.8	161.1	-67.6	176.4	0	0	0	108.7	P633 L643 L675 L683	P633-L635 PolarHBondContact O-N 3.21Å; L635-L643 HydrophobicContact CD2-CD1 4.17Å; L635-L675 HydrophobicContact CD1-CD2 3.83Å; L635-L675 HydrophobicContact CG-CD2 4.39Å; L635-L683 HydrophobicContact CD1-CD1 4.37Å
636	S	26.3	Very low	33	Very low	51 Å²	51	57.5 Å²	57.5	36%	0.357	31%	0.31	S	S	.	.			trans	-119.7	97.3	-178.5	70.4	0	0	0	0	109.5	S596 P634	S596-S636 VanDerWaalsContact CB-O 3.23Å; S596-S636 WeakPolarHBondContact CB-O 3.09Å; P634-S636 PolarHBondContact O-N 3.2Å
637	G	27.3	Very low	33.1	Very low	31 Å²	31	56.3 Å²	56.3	32%	0.32	31%	0.309	S	S	.	.			trans	-89.9	117.3	167.7	0	0	0	0	0	110.6	R639	G637-R639 PolarHBondContact O-N 3.11Å; G637-R639 VanDerWaalsContact O-N 3.17Å
638	R	27.2	Very low	33.5	Very low	203 Å²	203	56.9 Å²	56.9	77%	0.766	32%	0.316	S	S	*	.	S	Bend	trans	-75.4	99	156	-80.8	-169.5	-179.1	-141.5	6	107.2
639	R	26.6	Very low	34.1	Very low	204 Å²	204	59.8 Å²	59.8	77%	0.77	33%	0.328	S	S	*	.	S	Bend	trans	83.4	114.8	179.6	-58.7	-174.5	175.4	-150.7	-0.3	116.6	G637 G641	G637-R639 PolarHBondContact O-N 3.11Å; G637-R639 VanDerWaalsContact O-N 3.17Å; R639-G641 PolarHBondContact O-N 2.78Å
640	N	30.1	Very low	35	Very low	100 Å²	100	62.7 Å²	62.7	54%	0.535	34%	0.342	S	S	.	.			trans	41.4	63.1	157.4	-60.2	17.6	0	0	0	117.2	N600	N600-N640 WeakPolarHBondContact CA-O 3.16Å
641	G	32.7	Very low	36.1	Very low	27 Å²	27	59.6 Å²	59.6	28%	0.278	33%	0.333	S	S	.	.			trans	-117.1	127.4	154.3	0	0	0	0	0	108.2	G601 R639	G601-G641 WeakPolarHBondContact O-CA 3.47Å; R639-G641 PolarHBondContact O-N 2.78Å
642	S	34.3	Very low	37.3	Very low	40 Å²	40	57.6 Å²	57.6	28%	0.28	32%	0.317	S	S	.	.			trans	-111.8	131.6	174.8	36	0	0	0	0	109	S602 L603	S602-S642 WeakPolarHBondContact CA-O 3.3Å; S602-S642 WeakPolarHBondContact CB-O 3.3Å; L603-S642 PolarHBondContact N-O 2.73Å
643	L	35.2	Very low	38.4	Very low	28 Å²	28	57.6 Å²	57.6	15%	0.147	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	114.8	154	-103.6	105.7	0	0	0	105.1	L595 L603 L635 L646 L683 S684	L595-L643 HydrophobicContact CD1-CD1 3.72Å; L595-L643 HydrophobicContact CD1-CG 4.5Å; L603-L643 HydrophobicContact CB-CG 4.19Å; L603-L643 HydrophobicContact CD2-CD2 4.07Å; L603-L643 HydrophobicContact CD2-CG 4.42Å; L635-L643 HydrophobicContact CD2-CD1 4.17Å; L643-L646 HydrophobicContact CD2-CD1 3.56Å; L643-L646 HydrophobicContact CD2-CD2 4.29Å; L643-L646 HydrophobicContact CD2-CG 4.28Å; L643-L683 HydrophobicContact CB-CD2 4Å; L643-S684 PolarHBondContact O-N 3.17Å
644	S	38.6	Very low	39.4	Very low	33 Å²	33	58.5 Å²	58.5	23%	0.231	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.2	-176.9	57.5	0	0	0	0	113.4	L603 S604 G605 S684	L603-S644 PolarHBondContact O-N 2.88Å; L603-S644 VanDerWaalsContact O-N 3.09Å; S604-S644 WeakPolarHBondContact CA-O 3.4Å; G605-S644 PolarHBondContact N-O 2.93Å; S644-S684 WeakPolarHBondContact CA-O 2.98Å
645	G	38.7	Very low	40.5	Very low	22 Å²	22	60.4 Å²	60.4	23%	0.227	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.4	50.7	-178.7	0	0	0	0	0	112	L606 S647 S684	L606-G645 CarbonylContact C-O 3.6Å; L606-G645 WeakPolarHBondContact CA-O 3.45Å; L606-G645 PolarHBondContact N-O 2.87Å; G645-S647 VanDerWaalsContact C-N 3.3Å; G645-S684 PolarHBondContact N-O 2.91Å
646	L	43.6	Very low	41.5	Very low	19 Å²	19	57.9 Å²	57.9	10%	0.099	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	69.7	160.7	-54.7	-171.7	0	0	0	106.7	L603 L606 L643 G685 L686 S687	L603-L646 HydrophobicContact CD2-CD2 4.41Å; L606-L646 HydrophobicContact CB-CD2 3.76Å; L606-L646 HydrophobicContact CD1-CD2 3.52Å; L606-L646 HydrophobicContact CG-CD2 3.54Å; L643-L646 HydrophobicContact CD2-CD1 3.56Å; L643-L646 HydrophobicContact CD2-CD2 4.29Å; L643-L646 HydrophobicContact CD2-CG 4.28Å; L646-G685 CarbonylContact C-O 3.21Å; L646-G685 WeakPolarHBondContact CA-O 3.44Å; L646-G685 PolarHBondContact N-O 2.88Å; L646-G685 VanDerWaalsContact O-O 3.05Å; L646-L686 HydrophobicContact CB-CD2 3.58Å; L646-L686 HydrophobicContact CD1-CD2 3.23Å; L646-L686 HydrophobicContact CG-CD2 3.66Å; L646-S687 PolarHBondContact O-N 3Å
647	S	42.4	Very low	42.7	Very low	42 Å²	42	57.3 Å²	57.3	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.8	-175.6	57.2	0	0	0	0	110.4	L606 S607 G608 G645 S687	L606-S647 PolarHBondContact O-N 3Å; S607-S647 WeakPolarHBondContact CA-O 3.25Å; G608-S647 PolarHBondContact N-O 2.96Å; G645-S647 VanDerWaalsContact C-N 3.3Å; S647-S687 WeakPolarHBondContact CA-O 2.81Å
648	G	46.9	Very low	43.9	Very low	15 Å²	15	56.6 Å²	56.6	16%	0.155	29%	0.291	C	S	.	.			trans	-175.8	147.1	174.1	0	0	0	0	0	110	G608 N650 S687 G688	G608-G648 WeakPolarHBondContact O-CA 3.27Å; G648-N650 VanDerWaalsContact C-N 3.26Å; G648-N650 PolarHBondContact O-N 3.17Å; G648-S687 PolarHBondContact N-O 2.97Å; G648-S687 VanDerWaalsContact N-O 3.11Å; G648-G688 WeakPolarHBondContact O-CA 3.11Å
649	E	48.5	Very low	45	Very low	129 Å²	129	49 Å²	49	60%	0.603	27%	0.266	S	S	*	.	S	Bend	trans	-59.7	-43.1	-179.8	-64.6	-177.3	166.6	0	0	110.4	E689	E649-E689 PolarHBondContact O-N 3.45Å
650	N	53	Low	46.1	Very low	70 Å²	70	39.5 Å²	39.5	37%	0.374	23%	0.231	S	C	.	.	S	Bend	trans	-91.5	116.6	172.4	-67.7	-45.2	0	0	0	109.8	E609 N610 G611 G648	E609-N650 PolarHBondContact O-N 3.23Å; N610-N650 PolarHBondContact OD1-ND2 3.03Å; G611-N650 WeakPolarHBondContact CA-O 3.45Å; G611-N650 PolarHBondContact N-O 3.19Å; G648-N650 VanDerWaalsContact C-N 3.26Å; G648-N650 PolarHBondContact O-N 3.17Å
651	G	52.3	Low	47	Very low	17 Å²	17	36.8 Å²	36.8	18%	0.175	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-47.6	144.6	-176.8	0	0	0	0	0	116.6	N690	G651-N690 WeakPolarHBondContact CA-O 3.45Å; G651-N690 PolarHBondContact N-O 3.27Å
652	Q	54.8	Low	48	Very low	14 Å²	14	36.4 Å²	36.4	7%	0.065	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-79.5	134	176.3	-58.3	-178.2	9.5	0	0	110.7	L606 Q612 P692 G693	L606-Q652 PolarHBondContact O-NE2 3.43Å; Q612-Q652 HydrophobicContact CB-CG 4.45Å; Q612-Q652 WeakPolarHBondContact O-CA 3.34Å; Q652-P692 CarbonylContact O-C 3.5Å; Q652-P692 WeakPolarHBondContact O-CA 3.36Å; Q652-P692 WeakPolarHBondContact O-CB 3.33Å; Q652-G693 PolarHBondContact O-N 2.97Å
653	V	55.3	Low	48.8	Very low	28 Å²	28	37.5 Å²	37.5	17%	0.17	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.7	-172.2	-171.6	0	0	0	0	112.2	Q612 V613 I614 Y655 G693 F695	Q612-V653 PolarHBondContact O-N 2.76Å; V613-V653 CarbonylContact C-O 3.4Å; V613-V653 WeakPolarHBondContact CA-O 3.22Å; I614-V653 PolarHBondContact N-O 3.26Å; V653-Y655 HydrophobicContact CB-CE2 4.03Å; V653-Y655 HydrophobicContact CG1-CD2 3.88Å; V653-Y655 HydrophobicContact CG1-CE1 4.16Å; V653-Y655 HydrophobicContact CG1-CE2 3.3Å; V653-Y655 VanDerWaalsContact CG1-CZ 3.45Å; V653-G693 CarbonylContact C-O 3.57Å; V653-G693 WeakPolarHBondContact CA-O 3.29Å; V653-F695 HydrophobicContact CG1-CD2 3.56Å; V653-F695 HydrophobicContact CG1-CE2 3.52Å
654	I	54.6	Low	49.6	Very low	50 Å²	50	39 Å²	39	26%	0.256	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121	175	-52.3	178	0	0	0	109.7	I614 I616 I656 G693 I694 F695	I614-I654 HydrophobicContact CB-CG1 4.31Å; I614-I654 HydrophobicContact CB-CG2 4.36Å; I614-I654 HydrophobicContact CD1-CG1 4.48Å; I614-I654 CarbonylContact O-C 3.58Å; I614-I654 VanDerWaalsContact O-CA 3.3Å; I614-I654 WeakPolarHBondContact O-CA 3.26Å; I616-I654 HydrophobicContact CD1-CG2 4.38Å; I654-I656 HydrophobicContact CG2-CD1 4.44Å; I654-I656 HydrophobicContact CG2-CG1 4.09Å; I654-G693 PolarHBondContact N-O 3.15Å; I654-I694 HydrophobicContact CB-CG1 4.35Å; I654-I694 CarbonylContact O-C 3.56Å; I654-I694 WeakPolarHBondContact O-CA 3.37Å; I654-F695 PolarHBondContact O-N 3.31Å
655	Y	53.6	Low	49.7	Very low	84 Å²	84	37.4 Å²	37.4	33%	0.329	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.5	174	-63.5	-84.8	0	0	0	110.3	V613 I614 Y615 I616 V653 F695	V613-Y655 HydrophobicContact CG1-CD2 3.84Å; V613-Y655 HydrophobicContact CG1-CE2 3.78Å; I614-Y655 PolarHBondContact O-N 2.84Å; Y615-Y655 CarbonylContact C-O 3.57Å; Y615-Y655 WeakPolarHBondContact CA-O 3.33Å; Y615-Y655 AromaticContact CD1-CD2 3.72Å; Y615-Y655 HydrophobicContact CD1-CD2 3.72Å; Y615-Y655 AromaticContact CD1-CG 3.91Å; Y615-Y655 HydrophobicContact CD1-CG 3.91Å; Y615-Y655 AromaticContact CE1-CD2 3.28Å; Y615-Y655 HydrophobicContact CE1-CD2 3.28Å; Y615-Y655 AromaticContact CE1-CE2 3.86Å; Y615-Y655 HydrophobicContact CE1-CE2 3.86Å; Y615-Y655 AromaticContact CE1-CG 3.74Å; Y615-Y655 HydrophobicContact CE1-CG 3.74Å; Y615-Y655 AromaticContact CZ-CD2 3.81Å; I616-Y655 PolarHBondContact N-O 3.35Å; V653-Y655 HydrophobicContact CB-CE2 4.03Å; V653-Y655 HydrophobicContact CG1-CD2 3.88Å; V653-Y655 HydrophobicContact CG1-CE1 4.16Å; V653-Y655 HydrophobicContact CG1-CE2 3.3Å; V653-Y655 VanDerWaalsContact CG1-CZ 3.45Å; Y655-F695 CarbonylContact C-O 3.58Å; Y655-F695 WeakPolarHBondContact CA-O 3.3Å; Y655-F695 HydrophobicContact CD1-CB 3.63Å; Y655-F695 AromaticContact CD1-CD2 3.85Å; Y655-F695 HydrophobicContact CD1-CD2 3.85Å; Y655-F695 HydrophobicContact CD1-CG 4.02Å; Y655-F695 HydrophobicContact CE1-CB 3.96Å; Y655-F695 AromaticContact CE1-CD2 3.42Å; Y655-F695 HydrophobicContact CE1-CD2 3.42Å; Y655-F695 VanDerWaalsContact CE1-CD2 3.42Å; Y655-F695 HydrophobicContact CE1-CE2 4.1Å; Y655-F695 AromaticContact CE1-CG 3.81Å; Y655-F695 HydrophobicContact CE1-CG 3.81Å; Y655-F695 AromaticContact CZ-CD2 3.95Å
656	I	49.7	Very low	49.8	Very low	8 Å²	8	39.7 Å²	39.7	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.4	-179.6	-52.2	179.4	0	0	0	109.5	P592 I616 M618 I654 I694 F695 I696 T697	P592-I656 HydrophobicContact CB-CD1 4.19Å; P592-I656 HydrophobicContact CG-CD1 4.1Å; P592-I656 HydrophobicContact CG-CG2 4.37Å; I616-I656 HydrophobicContact CB-CG1 4.38Å; I616-I656 HydrophobicContact CB-CG2 4.49Å; I616-I656 HydrophobicContact CD1-CG1 4.4Å; I616-I656 CarbonylContact O-C 3.55Å; I616-I656 VanDerWaalsContact O-CA 3.3Å; I616-I656 WeakPolarHBondContact O-CA 3.31Å; M618-I656 HydrophobicContact CE-CG2 3.7Å; I654-I656 HydrophobicContact CG2-CD1 4.44Å; I654-I656 HydrophobicContact CG2-CG1 4.09Å; I656-I694 HydrophobicContact CD1-CG2 4.49Å; I656-F695 PolarHBondContact N-O 3.07Å; I656-I696 HydrophobicContact CB-CG1 4.3Å; I656-I696 HydrophobicContact CB-CG2 4.48Å; I656-I696 HydrophobicContact CD1-CG1 4.43Å; I656-I696 CarbonylContact O-C 3.5Å; I656-I696 VanDerWaalsContact O-CA 3.27Å; I656-I696 WeakPolarHBondContact O-CA 3.15Å; I656-T697 PolarHBondContact O-N 3.23Å
657	T	52.4	Low	49.7	Very low	39 Å²	39	40.8 Å²	40.8	24%	0.239	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.6	176.8	-56.6	0	0	0	0	111.1	I616 T617 M618 T697	I616-T657 PolarHBondContact O-N 3.09Å; T617-T657 CarbonylContact C-O 3.59Å; T617-T657 WeakPolarHBondContact CA-O 3.26Å; M618-T657 PolarHBondContact N-O 3.1Å; T657-T697 CarbonylContact C-O 3.55Å; T657-T697 VanDerWaalsContact CA-O 3.25Å; T657-T697 WeakPolarHBondContact CA-O 3.42Å
658	M	51.6	Low	49.4	Very low	16 Å²	16	41.1 Å²	41.1	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.9	177	-69	178.2	-83.8	0	0	110.9	M618 I696 T697 T698 N699	M618-M658 HydrophobicContact CB-CG 4.26Å; M618-M658 HydrophobicContact CE-CG 3.35Å; M618-M658 HydrophobicContact CE-SD 3.8Å; M618-M658 CarbonylContact O-C 3.6Å; M618-M658 HydrophobicContact SD-CG 4.36Å; M658-I696 HydrophobicContact CE-CG2 3.76Å; M658-T697 PolarHBondContact N-O 3.5Å; M658-T698 HydrophobicContact CB-CG2 3.84Å; M658-T698 HydrophobicContact CE-CG2 3.27Å; M658-T698 HydrophobicContact CG-CG2 4.4Å; M658-T698 CarbonylContact O-C 3.52Å; M658-T698 VanDerWaalsContact O-CA 3.3Å; M658-T698 WeakPolarHBondContact O-CA 3.44Å; M658-T698 HydrophobicContact SD-CG2 4.32Å; M658-N699 PolarHBondContact O-N 2.96Å
659	N	50.6	Low	48.9	Very low	44 Å²	44	48.5 Å²	48.5	24%	0.235	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.5	-178.8	-56.6	-44.5	0	0	0	111.5	M618 N619 S620 N699	M618-N659 PolarHBondContact O-N 2.87Å; N619-N659 WeakPolarHBondContact CA-O 3.24Å; N619-N659 WeakPolarHBondContact OD1-CB 3.07Å; N619-N659 PolarHBondContact OD1-ND2 2.85Å; S620-N659 PolarHBondContact N-O 3.44Å; S620-N659 PolarHBondContact OG-O 3.05Å; N659-N699 VanDerWaalsContact CA-O 3.32Å; N659-N699 WeakPolarHBondContact CA-O 3.34Å; N659-N699 WeakPolarHBondContact OD1-CB 3.12Å; N659-N699 PolarHBondContact OD1-ND2 3.43Å
660	S	49.2	Very low	48.2	Very low	4 Å²	4	46.9 Å²	46.9	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.4	175.2	59.9	0	0	0	0	111.9	H667 N699 S700 S701	S660-H667 PolarHBondContact OG-NE2 3.09Å; S660-H667 VanDerWaalsContact OG-NE2 3.16Å; S660-N699 PolarHBondContact N-O 3.23Å; S660-S700 WeakPolarHBondContact O-CA 3.48Å; S660-S700 WeakPolarHBondContact OG-CB 3.38Å; S660-S701 PolarHBondContact O-N 3.1Å
661	S	49.3	Very low	47.1	Very low	44 Å²	44	48.9 Å²	48.9	31%	0.308	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.3	-179	58.5	0	0	0	0	112	S620 S621 G622 S625 S701	S620-S661 PolarHBondContact O-N 2.83Å; S620-S661 PolarHBondContact O-OG 3.31Å; S621-S661 WeakPolarHBondContact CA-O 3.04Å; S621-S661 WeakPolarHBondContact CB-OG 3.29Å; G622-S661 PolarHBondContact N-O 3.18Å; S625-S661 PolarHBondContact OG-O 3.26Å; S625-S661 VanDerWaalsContact OG-O 3.13Å; S661-S701 WeakPolarHBondContact CA-O 2.82Å
662	G	53.1	Low	46	Very low	19 Å²	19	53.5 Å²	53.5	20%	0.196	27%	0.269	C	S	.	.	S	Bend	trans	150.2	162.5	180	0	0	0	0	0	112.7	N664 S665 S701 G702	G662-N664 PolarHBondContact O-N 2.92Å; G662-N664 VanDerWaalsContact O-N 3.16Å; G662-S665 PolarHBondContact O-N 3.25Å; G662-S665 PolarHBondContact O-OG 3.45Å; G662-S701 PolarHBondContact N-O 3.33Å; G662-G702 WeakPolarHBondContact O-CA 3.47Å
663	P	52	Low	44.8	Very low	63 Å²	63	55 Å²	55	41%	0.409	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.7	-176.8	18.1	-28.5	0	0	0	113.8	P623 S704	P623-P663 HydrophobicContact CB-CG 4.49Å; P663-S704 WeakPolarHBondContact O-CB 2.88Å
664	N	50.6	Low	43.5	Very low	59 Å²	59	63.9 Å²	63.9	32%	0.316	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	35.8	-175.8	-67.3	-20.9	0	0	0	113.5	N624 G662 Y666	N624-N664 PolarHBondContact OD1-ND2 2.76Å; G662-N664 PolarHBondContact O-N 2.92Å; G662-N664 VanDerWaalsContact O-N 3.16Å; N664-Y666 HydrophobicContact CB-CE2 4.38Å; N664-Y666 VanDerWaalsContact O-CD2 3.31Å; N664-Y666 WeakPolarHBondContact O-CD2 3.15Å; N664-Y666 WeakPolarHBondContact O-CE2 3.34Å
665	S	41	Very low	42.3	Very low	0 Å²	0	64 Å²	64	0%	0	31%	0.31	C	S	.	.			trans	-88.3	128.3	177.6	53.3	0	0	0	0	112.1	S625 G662 S701	S625-S665 WeakPolarHBondContact O-CA 3.35Å; G662-S665 PolarHBondContact O-N 3.25Å; G662-S665 PolarHBondContact O-OG 3.45Å; S665-S701 PolarHBondContact OG-O 3Å; S665-S701 VanDerWaalsContact OG-O 3.13Å
666	Y	42.2	Very low	41	Very low	70 Å²	70	63.7 Å²	63.7	28%	0.275	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.6	178.3	-54.5	-103.1	0	0	0	111	H627 N664 S704 S706	H627-Y666 PolarHBondContact N-O 2.84Å; H627-Y666 VanDerWaalsContact O-O 3.08Å; N664-Y666 HydrophobicContact CB-CE2 4.38Å; N664-Y666 VanDerWaalsContact O-CD2 3.31Å; N664-Y666 WeakPolarHBondContact O-CD2 3.15Å; N664-Y666 WeakPolarHBondContact O-CE2 3.34Å; Y666-S704 WeakPolarHBondContact CE1-O 3.08Å; Y666-S704 WeakPolarHBondContact OH-CB 3.04Å; Y666-S704 PolarHBondContact OH-O 3.46Å; Y666-S704 PolarHBondContact OH-OG 3.24Å; Y666-S704 VanDerWaalsContact OH-OG 3.11Å; Y666-S706 WeakPolarHBondContact CE1-OG 3.33Å
667	H	40.9	Very low	39.9	Very low	42 Å²	42	66 Å²	66	19%	0.194	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.2	168.6	-79	-64.6	0	0	0	110.3	H627 S660 N699	H627-H667 WeakPolarHBondContact CB-ND1 3.05Å; H627-H667 AromaticContact CG-CE1 3.77Å; H627-H667 AromaticContact ND1-CE1 3.93Å; S660-H667 PolarHBondContact OG-NE2 3.09Å; S660-H667 VanDerWaalsContact OG-NE2 3.16Å; H667-N699 PolarHBondContact NE2-O 3.35Å
668	N	36.2	Very low	38.6	Very low	48 Å²	48	75.7 Å²	75.7	26%	0.257	38%	0.378	S	S	.	.			trans	-118.1	121.9	-179.4	-132.1	-31.3	0	0	0	111.2	L628	L628-N668 HydrophobicContact CD2-CB 3.93Å
669	R	37	Very low	37.4	Very low	170 Å²	170	85.8 Å²	85.8	64%	0.642	42%	0.416	S	S	*	.			trans	46.8	114.2	165.2	-74.2	-176	-91.7	-174	-6.2	119	A629	A629-R669 VanDerWaalsContact O-O 3.08Å
670	Y	33.4	Very low	36.4	Very low	95 Å²	95	89.9 Å²	89.9	37%	0.373	44%	0.437	S	S	.	.			trans	-89.5	137.2	169.7	-74.9	-78.7	0	0	0	113.1	A629 T698	A629-Y670 HydrophobicContact CB-CE1 4.46Å; Y670-T698 HydrophobicContact CE1-CG2 4.18Å; Y670-T698 WeakPolarHBondContact OH-CB 3.37Å; Y670-T698 WeakPolarHBondContact OH-CG2 3.07Å; Y670-T698 PolarHBondContact OH-OG1 2.71Å
671	F	29.4	Very low	35.4	Very low	112 Å²	112	92.1 Å²	92.1	49%	0.491	46%	0.461	S	S	.	.			trans	-113.4	141.4	163.1	-70.4	-80.6	0	0	0	109.7	F630 P632	F630-F671 HydrophobicContact CD1-CE2 4.49Å; P632-F671 WeakPolarHBondContact CD-O 3.4Å; P632-F671 VanDerWaalsContact CG-O 3.26Å; P632-F671 WeakPolarHBondContact CG-O 3.36Å
672	P	28.6	Very low	34.6	Very low	114 Å²	114	93.4 Å²	93.4	74%	0.74	47%	0.47	S	S	*	.			trans	-65.9	148.8	178.9	25.2	-32.3	0	0	0	112.7	R674	P672-R674 PolarHBondContact O-N 2.86Å
673	T	31	Very low	33.6	Very low	45 Å²	45	96.6 Å²	96.6	28%	0.276	48%	0.482	S	S	.	.			trans	-57.8	115.2	-176.6	-24.1	0	0	0	0	112.1	P632 T718	P632-T673 HydrophobicContact CB-CG2 4.28Å; P632-T673 HydrophobicContact CG-CG2 4.2Å; T673-T718 VanDerWaalsContact CB-CG2 3.49Å; T673-T718 HydrophobicContact CG2-CG2 3.88Å; T673-T718 PolarHBondContact OG1-OG1 3.42Å
674	R	27.6	Very low	32.8	Very low	215 Å²	215	96.2 Å²	96.2	81%	0.811	48%	0.481	S	S	*	.			trans	-106	112.7	166.8	-81.3	-170	179	-163.1	1	110.3	P672 S676	P672-R674 PolarHBondContact O-N 2.86Å; R674-S676 PolarHBondContact O-N 3.42Å
675	L	29	Very low	32.2	Very low	52 Å²	52	95.3 Å²	95.3	27%	0.272	49%	0.486	S	S	.	.			trans	-73.8	75.4	168.2	-65.8	165.8	0	0	0	109.5	L635 L720	L635-L675 HydrophobicContact CD1-CD2 3.83Å; L635-L675 HydrophobicContact CG-CD2 4.39Å; L675-L720 HydrophobicContact CD1-CD2 3.82Å
676	S	25.7	Very low	32.1	Very low	79 Å²	79	98.2 Å²	98.2	55%	0.552	50%	0.501	S	S	*	.			trans	-110	93.5	178	66.5	0	0	0	0	111.1	R674	R674-S676 PolarHBondContact O-N 3.42Å
677	G	27.7	Very low	31.9	Very low	56 Å²	56	98.3 Å²	98.3	58%	0.577	51%	0.512	S	S	*	.			trans	-95.7	111.1	166.5	0	0	0	0	0	110.5	R679	G677-R679 PolarHBondContact O-N 3.03Å
678	R	25.6	Very low	32.1	Very low	242 Å²	242	98 Å²	98	91%	0.913	52%	0.52	S	S	*	.			trans	-68.7	103.2	164.8	-81.8	-170.8	178.2	-147.7	2.1	108.5
679	R	25.8	Very low	32.7	Very low	228 Å²	228	104.2 Å²	104.2	86%	0.86	55%	0.548	S	S	*	.	S	Bend	trans	44.1	118	162.2	-65.1	-174.5	179.8	-165.1	-0.5	117.1	G677	G677-R679 PolarHBondContact O-N 3.03Å
680	N	28.2	Very low	33.2	Very low	130 Å²	130	100.7 Å²	100.7	70%	0.695	54%	0.541	S	S	*	.	S	Bend	trans	92	33.7	162.8	-54.7	5	0	0	0	118.7
681	G	30.2	Very low	33.9	Very low	51 Å²	51	98.8 Å²	98.8	53%	0.526	55%	0.55	S	S	.	*			trans	-119.3	119.7	147.9	0	0	0	0	0	107.7
682	S	31.7	Very low	35	Very low	71 Å²	71	95.1 Å²	95.1	50%	0.497	54%	0.538	S	S	.	.			trans	-84.1	126	172.4	50.6	0	0	0	0	109.1
683	L	32.7	Very low	36	Very low	87 Å²	87	90.5 Å²	90.5	46%	0.455	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	108	149.5	-85.6	135.2	0	0	0	104.7	L635 L643 L686	L635-L683 HydrophobicContact CD1-CD1 4.37Å; L643-L683 HydrophobicContact CB-CD2 4Å; L683-L686 HydrophobicContact CD2-CD1 4.11Å; L683-L686 HydrophobicContact CD2-CD2 4.41Å
684	S	34.9	Very low	37	Very low	54 Å²	54	91.2 Å²	91.2	38%	0.378	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.2	-177	51.8	0	0	0	0	109.8	L643 S644 G645	L643-S684 PolarHBondContact O-N 3.17Å; S644-S684 WeakPolarHBondContact CA-O 2.98Å; G645-S684 PolarHBondContact N-O 2.91Å
685	G	36.8	Very low	38	Very low	41 Å²	41	83.7 Å²	83.7	42%	0.423	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.1	39.4	-176	0	0	0	0	0	113.6	L646	L646-G685 CarbonylContact C-O 3.21Å; L646-G685 WeakPolarHBondContact CA-O 3.44Å; L646-G685 PolarHBondContact N-O 2.88Å; L646-G685 VanDerWaalsContact O-O 3.05Å
686	L	40.6	Very low	38.9	Very low	60 Å²	60	82.7 Å²	82.7	31%	0.314	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	92.9	155.7	-56.1	-176.8	0	0	0	106.1	L646 L683 P692 L720	L646-L686 HydrophobicContact CB-CD2 3.58Å; L646-L686 HydrophobicContact CD1-CD2 3.23Å; L646-L686 HydrophobicContact CG-CD2 3.66Å; L683-L686 HydrophobicContact CD2-CD1 4.11Å; L683-L686 HydrophobicContact CD2-CD2 4.41Å; L686-P692 HydrophobicContact CB-CG 4.24Å; L686-P692 HydrophobicContact CD1-CG 3.99Å; L686-P692 HydrophobicContact CD2-CG 4.12Å; L686-P692 HydrophobicContact CG-CG 4.34Å; L686-L720 HydrophobicContact CD1-CD1 4.44Å
687	S	37.5	Very low	40.1	Very low	73 Å²	73	80.8 Å²	80.8	51%	0.51	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.8	-179.9	58.7	0	0	0	0	109.7	L646 S647 G648	L646-S687 PolarHBondContact O-N 3Å; S647-S687 WeakPolarHBondContact CA-O 2.81Å; G648-S687 PolarHBondContact N-O 2.97Å; G648-S687 VanDerWaalsContact N-O 3.11Å
688	G	45.5	Very low	41	Very low	34 Å²	34	79.6 Å²	79.6	35%	0.351	45%	0.447	S	S	.	.			trans	175.9	146.3	-179.8	0	0	0	0	0	108.8	G648 N690	G648-G688 WeakPolarHBondContact O-CA 3.11Å; G688-N690 PolarHBondContact O-N 3.24Å
689	E	47.7	Very low	42.3	Very low	180 Å²	180	71.3 Å²	71.3	84%	0.841	42%	0.421	S	S	*	.	S	Bend	trans	-62	-35.9	-178.2	-64.9	-171.5	158.3	0	0	111.2	E649	E649-E689 PolarHBondContact O-N 3.45Å
690	N	47.3	Very low	43.4	Very low	96 Å²	96	62.5 Å²	62.5	51%	0.513	39%	0.394	S	S	.	.	S	Bend	trans	-97.9	98.8	170.5	-63.9	-52.4	0	0	0	108.1	G651 G688	G651-N690 WeakPolarHBondContact CA-O 3.45Å; G651-N690 PolarHBondContact N-O 3.27Å; G688-N690 PolarHBondContact O-N 3.24Å
691	G	48.8	Very low	44.3	Very low	54 Å²	54	60 Å²	60	56%	0.557	39%	0.387	S	S	*	.			trans	-53.7	157.9	-177.9	0	0	0	0	0	114.2	G693	G691-G693 PolarHBondContact O-N 3Å
692	P	51.8	Low	45.1	Very low	35 Å²	35	58.5 Å²	58.5	23%	0.227	37%	0.372	C	S	.	.			trans	-64.7	134.7	-175.5	25.4	-32.9	0	0	0	112.5	Q652 L686 L720	Q652-P692 CarbonylContact O-C 3.5Å; Q652-P692 WeakPolarHBondContact O-CA 3.36Å; Q652-P692 WeakPolarHBondContact O-CB 3.33Å; L686-P692 HydrophobicContact CB-CG 4.24Å; L686-P692 HydrophobicContact CD1-CG 3.99Å; L686-P692 HydrophobicContact CD2-CG 4.12Å; L686-P692 HydrophobicContact CG-CG 4.34Å; P692-L720 HydrophobicContact CG-CD1 4.01Å
693	G	50.5	Low	45.9	Very low	17 Å²	17	64.4 Å²	64.4	18%	0.175	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.3	-176.2	0	0	0	0	0	113.4	Q652 V653 I654 G691	Q652-G693 PolarHBondContact O-N 2.97Å; V653-G693 CarbonylContact C-O 3.57Å; V653-G693 WeakPolarHBondContact CA-O 3.29Å; I654-G693 PolarHBondContact N-O 3.15Å; G691-G693 PolarHBondContact O-N 3Å
694	I	51.5	Low	46.1	Very low	60 Å²	60	63 Å²	63	31%	0.308	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122	171.4	-54.7	177.2	0	0	0	109	I654 I656 I696	I654-I694 HydrophobicContact CB-CG1 4.35Å; I654-I694 CarbonylContact O-C 3.56Å; I654-I694 WeakPolarHBondContact O-CA 3.37Å; I656-I694 HydrophobicContact CD1-CG2 4.49Å; I694-I696 HydrophobicContact CG2-CG1 4.46Å
695	F	49.1	Very low	46.1	Very low	57 Å²	57	63.4 Å²	63.4	25%	0.25	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.7	-178.5	-60	-83.3	0	0	0	110.5	V653 I654 Y655 I656 T715	V653-F695 HydrophobicContact CG1-CD2 3.56Å; V653-F695 HydrophobicContact CG1-CE2 3.52Å; I654-F695 PolarHBondContact O-N 3.31Å; Y655-F695 CarbonylContact C-O 3.58Å; Y655-F695 WeakPolarHBondContact CA-O 3.3Å; Y655-F695 HydrophobicContact CD1-CB 3.63Å; Y655-F695 AromaticContact CD1-CD2 3.85Å; Y655-F695 HydrophobicContact CD1-CD2 3.85Å; Y655-F695 HydrophobicContact CD1-CG 4.02Å; Y655-F695 HydrophobicContact CE1-CB 3.96Å; Y655-F695 AromaticContact CE1-CD2 3.42Å; Y655-F695 HydrophobicContact CE1-CD2 3.42Å; Y655-F695 VanDerWaalsContact CE1-CD2 3.42Å; Y655-F695 HydrophobicContact CE1-CE2 4.1Å; Y655-F695 AromaticContact CE1-CG 3.81Å; Y655-F695 HydrophobicContact CE1-CG 3.81Å; Y655-F695 AromaticContact CZ-CD2 3.95Å; I656-F695 PolarHBondContact N-O 3.07Å; F695-T715 HydrophobicContact CB-CG2 4.48Å; F695-T715 HydrophobicContact CD1-CG2 3.75Å
696	I	47.7	Very low	45.9	Very low	31 Å²	31	65 Å²	65	16%	0.159	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.6	-176.8	-51.9	177.6	0	0	0	109.6	P632 I656 M658 I694	P632-I696 HydrophobicContact CB-CD1 4.21Å; I656-I696 HydrophobicContact CB-CG1 4.3Å; I656-I696 HydrophobicContact CB-CG2 4.48Å; I656-I696 HydrophobicContact CD1-CG1 4.43Å; I656-I696 CarbonylContact O-C 3.5Å; I656-I696 VanDerWaalsContact O-CA 3.27Å; I656-I696 WeakPolarHBondContact O-CA 3.15Å; M658-I696 HydrophobicContact CE-CG2 3.76Å; I694-I696 HydrophobicContact CG2-CG1 4.46Å
697	T	50.4	Low	45.3	Very low	40 Å²	40	69.8 Å²	69.8	25%	0.245	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.5	179.4	-53.9	0	0	0	0	110.6	I656 T657 M658	I656-T697 PolarHBondContact O-N 3.23Å; T657-T697 CarbonylContact C-O 3.55Å; T657-T697 VanDerWaalsContact CA-O 3.25Å; T657-T697 WeakPolarHBondContact CA-O 3.42Å; M658-T697 PolarHBondContact N-O 3.5Å
698	T	47.5	Very low	45	Very low	31 Å²	31	73.5 Å²	73.5	19%	0.19	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.2	-178.3	62.8	0	0	0	0	113.7	M658 Y670	M658-T698 HydrophobicContact CB-CG2 3.84Å; M658-T698 HydrophobicContact CE-CG2 3.27Å; M658-T698 HydrophobicContact CG-CG2 4.4Å; M658-T698 CarbonylContact O-C 3.52Å; M658-T698 VanDerWaalsContact O-CA 3.3Å; M658-T698 WeakPolarHBondContact O-CA 3.44Å; M658-T698 HydrophobicContact SD-CG2 4.32Å; Y670-T698 HydrophobicContact CE1-CG2 4.18Å; Y670-T698 WeakPolarHBondContact OH-CB 3.37Å; Y670-T698 WeakPolarHBondContact OH-CG2 3.07Å; Y670-T698 PolarHBondContact OH-OG1 2.71Å
699	N	51.3	Low	44.3	Very low	68 Å²	68	83.4 Å²	83.4	36%	0.364	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.7	-175.5	-52.1	-47.4	0	0	0	111.7	M658 N659 S660 H667	M658-N699 PolarHBondContact O-N 2.96Å; N659-N699 VanDerWaalsContact CA-O 3.32Å; N659-N699 WeakPolarHBondContact CA-O 3.34Å; N659-N699 WeakPolarHBondContact OD1-CB 3.12Å; N659-N699 PolarHBondContact OD1-ND2 3.43Å; S660-N699 PolarHBondContact N-O 3.23Å; H667-N699 PolarHBondContact NE2-O 3.35Å
700	S	49.7	Very low	43.6	Very low	42 Å²	42	82.4 Å²	82.4	29%	0.294	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134	173.4	54.1	0	0	0	0	111.9	S660	S660-S700 WeakPolarHBondContact O-CA 3.48Å; S660-S700 WeakPolarHBondContact OG-CB 3.38Å
701	S	46.3	Very low	42.7	Very low	78 Å²	78	88.6 Å²	88.6	55%	0.545	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.9	167.3	57.6	0	0	0	0	110.4	S660 S661 G662 S665	S660-S701 PolarHBondContact O-N 3.1Å; S661-S701 WeakPolarHBondContact CA-O 2.82Å; G662-S701 PolarHBondContact N-O 3.33Å; S665-S701 PolarHBondContact OG-O 3Å; S665-S701 VanDerWaalsContact OG-O 3.13Å
702	G	48.1	Very low	41.8	Very low	20 Å²	20	94.5 Å²	94.5	21%	0.206	48%	0.482	C	S	.	.			trans	-160.3	135.9	177.4	0	0	0	0	0	110.5	G662 S704 S705	G662-G702 WeakPolarHBondContact O-CA 3.47Å; G702-S704 PolarHBondContact O-N 3.22Å; G702-S705 PolarHBondContact O-N 3.26Å
703	Q	47.4	Very low	40.8	Very low	194 Å²	194	95.2 Å²	95.2	91%	0.907	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.2	-177.7	-78.7	179.9	-29.1	0	0	113.3
704	S	38.1	Very low	39.9	Very low	59 Å²	59	98.1 Å²	98.1	41%	0.413	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	14.5	-172.3	-142.6	0	0	0	0	113.5	P663 Y666 G702 S706	P663-S704 WeakPolarHBondContact O-CB 2.88Å; Y666-S704 WeakPolarHBondContact CE1-O 3.08Å; Y666-S704 WeakPolarHBondContact OH-CB 3.04Å; Y666-S704 PolarHBondContact OH-O 3.46Å; Y666-S704 PolarHBondContact OH-OG 3.24Å; Y666-S704 VanDerWaalsContact OH-OG 3.11Å; G702-S704 PolarHBondContact O-N 3.22Å; S704-S706 PolarHBondContact O-N 3.38Å
705	S	34.1	Very low	39	Very low	62 Å²	62	99 Å²	99	43%	0.434	52%	0.518	S	S	.	.			trans	-59.3	97.1	178.8	72.7	0	0	0	0	111.4	G702 N707	G702-S705 PolarHBondContact O-N 3.26Å; S705-N707 PolarHBondContact O-N 3.42Å; S705-N707 VanDerWaalsContact O-N 3.1Å
706	S	33.5	Very low	38.3	Very low	75 Å²	75	101.8 Å²	101.8	52%	0.524	54%	0.535	S	S	.	.			trans	-70.3	111.2	178.4	51.1	0	0	0	0	107.6	Y666 S704 H708	Y666-S706 WeakPolarHBondContact CE1-OG 3.33Å; S704-S706 PolarHBondContact O-N 3.38Å; S706-H708 VanDerWaalsContact C-N 3.35Å; S706-H708 PolarHBondContact O-N 3.36Å
707	N	27.3	Very low	37.4	Very low	159 Å²	159	105.1 Å²	105.1	85%	0.85	56%	0.559	S	S	*	*			trans	-38.1	85.7	176	-87.3	-39.3	0	0	0	113.6	S705	S705-N707 PolarHBondContact O-N 3.42Å; S705-N707 VanDerWaalsContact O-N 3.1Å
708	H	32.1	Very low	36.8	Very low	152 Å²	152	104.6 Å²	104.6	70%	0.704	56%	0.556	S	S	*	*			trans	-98.1	92.3	156.7	-82.4	-44.9	0	0	0	107.6	S706 Q710	S706-H708 VanDerWaalsContact C-N 3.35Å; S706-H708 PolarHBondContact O-N 3.36Å; H708-Q710 PolarHBondContact O-N 3.33Å
709	R	30.6	Very low	35.8	Very low	242 Å²	242	114.4 Å²	114.4	91%	0.913	59%	0.59	S	S	*	*	S	Bend	trans	-12	93.9	169.2	-68.8	-179.2	178.5	-178.6	-0.6	113.6
710	Q	32.2	Very low	34.9	Very low	159 Å²	159	115.4 Å²	115.4	74%	0.743	59%	0.594	S	S	*	*			trans	-169.7	129.6	142.3	-105.5	164.5	15.7	0	0	109	H708	H708-Q710 PolarHBondContact O-N 3.33Å
711	R	28.6	Very low	33.8	Very low	226 Å²	226	118 Å²	118	85%	0.853	61%	0.613	S	S	*	*			trans	-56.8	137.7	-167.5	-64.5	178.5	173.8	-156.2	-2.8	111.2	G713	R711-G713 PolarHBondContact O-N 3.25Å
712	Q	30	Very low	32.9	Very low	177 Å²	177	117.5 Å²	117.5	83%	0.827	62%	0.62	S	S	*	*	S	Bend	trans	-51.5	133.8	166.6	-69.2	171.6	-13.6	0	0	109.2
713	G	31.1	Very low	31.8	Very low	50 Å²	50	128.8 Å²	128.8	52%	0.515	66%	0.656	S	S	.	*			trans	89.4	35.6	169.6	0	0	0	0	0	118.3	R711	R711-G713 PolarHBondContact O-N 3.25Å
714	V	31.5	Very low	30.9	Very low	79 Å²	79	122.3 Å²	122.3	48%	0.479	64%	0.642	S	S	.	*			trans	-85.2	114.4	174.5	-175.3	0	0	0	0	111.1	L716	V714-L716 HydrophobicContact CG1-CD1 4.16Å; V714-L716 HydrophobicContact CG1-CD2 4.12Å; V714-L716 HydrophobicContact CG1-CG 3.74Å
715	T	32.6	Very low	30.3	Very low	77 Å²	77	130.7 Å²	130.7	47%	0.472	67%	0.666	S	S	.	*			trans	-94.2	119.5	167	-58.9	0	0	0	0	109	F695	F695-T715 HydrophobicContact CB-CG2 4.48Å; F695-T715 HydrophobicContact CD1-CG2 3.75Å
716	L	33.9	Very low	29.8	Very low	116 Å²	116	136.4 Å²	136.4	61%	0.607	69%	0.688	S	S	*	*			trans	-115.5	122.9	177.5	-71.8	168.4	0	0	0	111.2	V714	V714-L716 HydrophobicContact CG1-CD1 4.16Å; V714-L716 HydrophobicContact CG1-CD2 4.12Å; V714-L716 HydrophobicContact CG1-CG 3.74Å
717	P	29.8	Very low	29.4	Very low	101 Å²	101	141.2 Å²	141.2	66%	0.656	70%	0.702	S	S	*	*			trans	-71.4	128.4	169	27.1	-30.2	0	0	0	110.3
718	T	36.6	Very low	29.4	Very low	30 Å²	30	136.8 Å²	136.8	18%	0.184	69%	0.688	C	S	.	*			trans	-84.5	113.6	174.7	-56.8	0	0	0	0	110.3	T673	T673-T718 VanDerWaalsContact CB-CG2 3.49Å; T673-T718 HydrophobicContact CG2-CG2 3.88Å; T673-T718 PolarHBondContact OG1-OG1 3.42Å
719	R	27.3	Very low	29.1	Very low	236 Å²	236	136.5 Å²	136.5	89%	0.891	69%	0.692	S	S	*	*			trans	-72.4	126.4	171.1	-90.1	-174.6	171.4	-174.9	-2.3	111.1	S721	R719-S721 PolarHBondContact O-N 3.36Å
720	L	31.1	Very low	29	Very low	89 Å²	89	134 Å²	134	47%	0.466	69%	0.688	S	S	.	*			trans	-73.6	100.3	174.2	-67	160.6	0	0	0	109.9	L675 L686 P692 G722	L675-L720 HydrophobicContact CD1-CD2 3.82Å; L686-L720 HydrophobicContact CD1-CD1 4.44Å; P692-L720 HydrophobicContact CG-CD1 4.01Å; L720-G722 PolarHBondContact O-N 3.11Å; L720-G722 VanDerWaalsContact O-N 3.1Å
721	S	27.3	Very low	28.9	Very low	97 Å²	97	135.6 Å²	135.6	68%	0.678	69%	0.692	S	S	*	*			trans	-82.8	78.1	173	65.2	0	0	0	0	110.6	R719	R719-S721 PolarHBondContact O-N 3.36Å
722	G	28.7	Very low	29	Very low	68 Å²	68	129.4 Å²	129.4	70%	0.701	68%	0.684	S	S	*	*			trans	-94.4	99.9	170.4	0	0	0	0	0	111.1	L720 G724	L720-G722 PolarHBondContact O-N 3.11Å; L720-G722 VanDerWaalsContact O-N 3.1Å; G722-G724 PolarHBondContact O-N 2.86Å
723	R	24.4	Very low	29.1	Very low	256 Å²	256	130 Å²	130	97%	0.966	69%	0.687	S	S	*	*			trans	-73.6	79.3	156.5	-80.6	-170.4	-174.6	-169.3	1.2	107.4
724	G	27.8	Very low	29.6	Very low	59 Å²	59	140.7 Å²	140.7	61%	0.608	72%	0.719	S	S	*	*			trans	-99.1	120.8	164.4	0	0	0	0	0	107.2	G722 M726	G722-G724 PolarHBondContact O-N 2.86Å; G724-M726 PolarHBondContact O-N 2.95Å
725	Y	24.8	Very low	29.5	Very low	234 Å²	234	143.8 Å²	143.8	92%	0.918	73%	0.731	S	S	*	*			trans	-49.4	107.5	172.1	-69.8	-97.9	0	0	0	108.4	E727	Y725-E727 VanDerWaalsContact C-N 3.26Å; Y725-E727 PolarHBondContact O-N 3.41Å
726	M	25.2	Very low	29.3	Very low	182 Å²	182	147.3 Å²	147.3	90%	0.897	75%	0.745	S	S	*	*			trans	-66	100.3	160.3	-73.9	-175.3	-174.8	0	0	104.8	G724 A728	G724-M726 PolarHBondContact O-N 2.95Å; M726-A728 PolarHBondContact O-N 3Å
727	E	23.7	Very low	29.1	Very low	176 Å²	176	149 Å²	149	82%	0.822	75%	0.753	S	S	*	*			trans	-64.6	89.4	160.5	-162	168.3	-152.1	0	0	105	Y725 N729	Y725-E727 VanDerWaalsContact C-N 3.26Å; Y725-E727 PolarHBondContact O-N 3.41Å; E727-N729 VanDerWaalsContact C-N 3.27Å; E727-N729 PolarHBondContact O-N 2.8Å
728	A	27.6	Very low	29	Very low	67 Å²	67	151.8 Å²	151.8	55%	0.554	76%	0.758	S	S	*	*			trans	-65.3	94.7	176.2	0	0	0	0	0	106.6	M726 F730	M726-A728 PolarHBondContact O-N 3Å; A728-F730 HydrophobicContact CB-CD2 3.99Å; A728-F730 HydrophobicContact CB-CE2 4.06Å; A728-F730 PolarHBondContact O-N 2.88Å
729	N	25.6	Very low	28.6	Very low	146 Å²	146	159.4 Å²	159.4	78%	0.781	79%	0.794	S	S	*	*			trans	-62	84.6	160.7	-92.1	-48.8	0	0	0	107.3	E727 K731	E727-N729 VanDerWaalsContact C-N 3.27Å; E727-N729 PolarHBondContact O-N 2.8Å; N729-K731 PolarHBondContact O-N 2.87Å
730	F	28.1	Very low	28.6	Very low	189 Å²	189	154.3 Å²	154.3	83%	0.829	79%	0.788	S	S	*	*			trans	-64.7	86.5	160.7	-88.5	-87.5	0	0	0	107	A728 S732	A728-F730 HydrophobicContact CB-CD2 3.99Å; A728-F730 HydrophobicContact CB-CE2 4.06Å; A728-F730 PolarHBondContact O-N 2.88Å; F730-S732 PolarHBondContact O-N 3.07Å; F730-S732 VanDerWaalsContact O-N 3.07Å
731	K	31.4	Very low	28.5	Very low	192 Å²	192	159 Å²	159	84%	0.835	81%	0.811	S	S	*	*			trans	-70.2	93.8	154.5	-83.3	-174.1	174.7	-177.5	0	106.1	N729 Q733	N729-K731 PolarHBondContact O-N 2.87Å; K731-Q733 PolarHBondContact O-N 3.07Å
732	S	30.4	Very low	28.5	Very low	97 Å²	97	163.8 Å²	163.8	68%	0.678	82%	0.821	S	S	*	*			trans	-63.2	102.5	164.4	59.4	0	0	0	0	108	F730	F730-S732 PolarHBondContact O-N 3.07Å; F730-S732 VanDerWaalsContact O-N 3.07Å
733	Q	33.1	Very low	28.5	Very low	189 Å²	189	171.8 Å²	171.8	88%	0.883	83%	0.831	S	S	*	*			trans	-89.1	103.2	153.2	-77.7	-177.7	-29.8	0	0	105.7	K731	K731-Q733 PolarHBondContact O-N 3.07Å
734	F	40.3	Very low	28.9	Very low	274 Å²	274	164.1 Å²	164.1	100%	1.202	82%	0.819	S	S	*	*			trans	-87.8	0	149.6	-84.9	-75.8	0	0	0	107.6

Retrieved 734 of 734 residues in 527.5 ms (Link to these results)

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