C4QPM1_SCHMA Loading...

Egg protein CP391S-like AlphaSync

AlphaFold DB , UniProt , Accession C4QPM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	61.6	Low	214 Å²	214	122.3 Å²	122.3	100%	1.054	59%	0.592	S	S	*	*				0	110.4	0	-81.8	171.3	168.3	0	0	108.2	Y3	M1-Y3 HydrophobicContact CB-CD2 4.3Å; M1-Y3 HydrophobicContact CB-CE2 4.47Å; M1-Y3 PolarHBondContact O-N 3.44Å; M1-Y3 HydrophobicContact SD-CE2 4.25Å
2	R	49.3	Very low	62.8	Low	239 Å²	239	119 Å²	119	90%	0.902	58%	0.579	S	S	*	*			trans	-79.8	100.2	166	-71.2	-177.6	178.6	177.6	-0.6	106.1	N4	R2-N4 PolarHBondContact O-N 3.45Å; R2-N4 VanDerWaalsContact O-N 3.12Å
3	Y	54.2	Low	63.8	Low	155 Å²	155	114.2 Å²	114.2	61%	0.608	56%	0.556	S	S	*	*			trans	-71.9	102.3	171	-99.1	-90	0	0	0	107.3	M1 F5	M1-Y3 HydrophobicContact CB-CD2 4.3Å; M1-Y3 HydrophobicContact CB-CE2 4.47Å; M1-Y3 PolarHBondContact O-N 3.44Å; M1-Y3 HydrophobicContact SD-CE2 4.25Å; Y3-F5 PolarHBondContact O-N 3.32Å; Y3-F5 VanDerWaalsContact O-N 3.15Å
4	N	57.6	Low	64.6	Low	151 Å²	151	116.1 Å²	116.1	81%	0.807	56%	0.556	S	S	*	*			trans	-74.5	98.4	167.6	-72	-19.7	0	0	0	106.9	R2 S6	R2-N4 PolarHBondContact O-N 3.45Å; R2-N4 VanDerWaalsContact O-N 3.12Å; N4-S6 PolarHBondContact O-N 3.44Å
5	F	57.1	Low	65.3	Low	107 Å²	107	115.2 Å²	115.2	47%	0.469	56%	0.555	S	S	.	*			trans	-60.1	134.5	169.1	-77.2	-81.8	0	0	0	109.4	Y3 L9 W10	Y3-F5 PolarHBondContact O-N 3.32Å; Y3-F5 VanDerWaalsContact O-N 3.15Å; F5-L9 HydrophobicContact CD1-CD1 4.25Å; F5-L9 HydrophobicContact CD1-CD2 3.86Å; F5-L9 HydrophobicContact CD1-CG 4.45Å; F5-L9 HydrophobicContact CE1-CD2 4.19Å; F5-W10 HydrophobicContact CB-CZ2 4.49Å; F5-W10 HydrophobicContact CD2-CZ2 4.46Å; F5-W10 PolarHBondContact O-NE1 3.04Å
6	S	66.9	Low	65.7	Low	60 Å²	60	116.2 Å²	116.2	42%	0.42	56%	0.556	S	S	.	*			trans	-56.3	141.2	173.8	171.4	0	0	0	0	110.4	N4 S8 L9 W10	N4-S6 PolarHBondContact O-N 3.44Å; S6-S8 PolarHBondContact O-N 3.32Å; S6-S8 VanDerWaalsContact O-N 3.1Å; S6-S8 PolarHBondContact OG-OG 3.12Å; S6-L9 VanDerWaalsContact O-CB 3.3Å; S6-L9 WeakPolarHBondContact O-CB 3.48Å; S6-L9 PolarHBondContact O-N 2.98Å; S6-W10 PolarHBondContact O-N 3.41Å
7	P	70.9	Confident	65.6	Low	98 Å²	98	117.3 Å²	117.3	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-51.1	-34.2	176.7	-26.9	33.9	0	0	0	114	L9 W10 I11	P7-L9 VanDerWaalsContact C-N 3.29Å; P7-L9 PolarHBondContact O-N 3.26Å; P7-W10 WeakPolarHBondContact O-CB 3.34Å; P7-W10 PolarHBondContact O-N 2.83Å; P7-I11 WeakPolarHBondContact O-CG1 3.28Å; P7-I11 PolarHBondContact O-N 3.15Å
8	S	69.4	Low	65.5	Low	65 Å²	65	114.4 Å²	114.4	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-63.1	-33.7	176.6	56.9	0	0	0	0	113.5	S6 I11 L12	S6-S8 PolarHBondContact O-N 3.32Å; S6-S8 VanDerWaalsContact O-N 3.1Å; S6-S8 PolarHBondContact OG-OG 3.12Å; S8-I11 PolarHBondContact O-N 3.18Å; S8-L12 PolarHBondContact O-N 3.49Å; S8-L12 VanDerWaalsContact O-N 3.13Å
9	L	64.3	Low	65.1	Low	37 Å²	37	118.3 Å²	118.3	19%	0.194	56%	0.558	C	S	.	*	H	α-helix	trans	-74.2	-38.6	178.8	-134.2	146.2	0	0	0	110.6	F5 S6 P7 L12 I13 L329	F5-L9 HydrophobicContact CD1-CD1 4.25Å; F5-L9 HydrophobicContact CD1-CD2 3.86Å; F5-L9 HydrophobicContact CD1-CG 4.45Å; F5-L9 HydrophobicContact CE1-CD2 4.19Å; S6-L9 VanDerWaalsContact O-CB 3.3Å; S6-L9 WeakPolarHBondContact O-CB 3.48Å; S6-L9 PolarHBondContact O-N 2.98Å; P7-L9 VanDerWaalsContact C-N 3.29Å; P7-L9 PolarHBondContact O-N 3.26Å; L9-L12 PolarHBondContact O-N 3.28Å; L9-I13 HydrophobicContact CD2-CD1 3.7Å; L9-I13 HydrophobicContact CD2-CG1 4.34Å; L9-I13 WeakPolarHBondContact O-CB 3.35Å; L9-I13 WeakPolarHBondContact O-CD1 3.48Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; L9-I13 PolarHBondContact O-N 3.01Å; L9-L329 HydrophobicContact CD1-CD1 3.85Å; L9-L329 HydrophobicContact CD1-CD2 3.49Å; L9-L329 VanDerWaalsContact CD1-CD2 3.49Å; L9-L329 HydrophobicContact CD1-CG 4.13Å; L9-L329 HydrophobicContact CG-CD1 3.98Å; L9-L329 HydrophobicContact CG-CD2 4.48Å
10	W	70.7	Confident	64.3	Low	116 Å²	116	115.1 Å²	115.1	44%	0.439	54%	0.544	S	S	.	.	H	α-helix	trans	-59.7	-45.7	169	-74.5	103.7	0	0	0	111.2	F5 S6 P7 L12 I13 Y14	F5-W10 HydrophobicContact CB-CZ2 4.49Å; F5-W10 HydrophobicContact CD2-CZ2 4.46Å; F5-W10 PolarHBondContact O-NE1 3.04Å; S6-W10 PolarHBondContact O-N 3.41Å; P7-W10 WeakPolarHBondContact O-CB 3.34Å; P7-W10 PolarHBondContact O-N 2.83Å; W10-L12 VanDerWaalsContact C-N 3.35Å; W10-L12 PolarHBondContact O-N 2.94Å; W10-I13 PolarHBondContact O-N 3.22Å; W10-Y14 HydrophobicContact CB-CD2 4.1Å; W10-Y14 HydrophobicContact CB-CE2 4.1Å; W10-Y14 HydrophobicContact CD2-CE2 4.42Å; W10-Y14 HydrophobicContact CE3-CD2 4.44Å; W10-Y14 AromaticContact CE3-CE2 3.73Å; W10-Y14 HydrophobicContact CE3-CE2 3.73Å; W10-Y14 WeakPolarHBondContact O-CB 3.37Å; W10-Y14 WeakPolarHBondContact O-CD2 3.24Å; W10-Y14 PolarHBondContact O-N 3.35Å
11	I	76.3	Confident	63.9	Low	103 Å²	103	116.6 Å²	116.6	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-58.2	-45.8	178.2	-66.9	164	0	0	0	111.2	P7 S8 Y14 L15	P7-I11 WeakPolarHBondContact O-CG1 3.28Å; P7-I11 PolarHBondContact O-N 3.15Å; S8-I11 PolarHBondContact O-N 3.18Å; I11-Y14 PolarHBondContact O-N 3.47Å; I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.24Å; I11-L15 WeakPolarHBondContact O-CB 3.26Å; I11-L15 VanDerWaalsContact O-CG 3.22Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.28Å
12	L	76.2	Confident	64.5	Low	83 Å²	83	112.5 Å²	112.5	44%	0.435	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-42.2	177	-74.5	168.6	0	0	0	112.4	S8 L9 W10 L15 F16 L329	S8-L12 PolarHBondContact O-N 3.49Å; S8-L12 VanDerWaalsContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 3.28Å; W10-L12 VanDerWaalsContact C-N 3.35Å; W10-L12 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 2.9Å; L12-F16 WeakPolarHBondContact O-CB 3.24Å; L12-F16 PolarHBondContact O-N 3.36Å; L12-L329 HydrophobicContact CD1-CD1 4.32Å
13	I	75.7	Confident	64.8	Low	56 Å²	56	109.8 Å²	109.8	29%	0.287	51%	0.512	S	S	.	.	H	α-helix	trans	-62.7	-46.6	176	-71.7	168.3	0	0	0	110.3	L9 W10 F16 F17	L9-I13 HydrophobicContact CD2-CD1 3.7Å; L9-I13 HydrophobicContact CD2-CG1 4.34Å; L9-I13 WeakPolarHBondContact O-CB 3.35Å; L9-I13 WeakPolarHBondContact O-CD1 3.48Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; L9-I13 PolarHBondContact O-N 3.01Å; W10-I13 PolarHBondContact O-N 3.22Å; I13-F16 PolarHBondContact O-N 2.86Å; I13-F17 HydrophobicContact CG2-CD2 3.46Å; I13-F17 VanDerWaalsContact CG2-CD2 3.46Å; I13-F17 HydrophobicContact CG2-CE2 3.32Å; I13-F17 WeakPolarHBondContact O-CD2 3.03Å; I13-F17 PolarHBondContact O-N 2.93Å
14	Y	74.7	Confident	64.6	Low	141 Å²	141	108.9 Å²	108.9	55%	0.553	51%	0.511	S	S	*	.	H	α-helix	trans	-62.3	-43.2	175.2	-81.6	-67.8	0	0	0	111.4	W10 I11 F16 F17 V18	W10-Y14 HydrophobicContact CB-CD2 4.1Å; W10-Y14 HydrophobicContact CB-CE2 4.1Å; W10-Y14 HydrophobicContact CD2-CE2 4.42Å; W10-Y14 HydrophobicContact CE3-CD2 4.44Å; W10-Y14 AromaticContact CE3-CE2 3.73Å; W10-Y14 HydrophobicContact CE3-CE2 3.73Å; W10-Y14 WeakPolarHBondContact O-CB 3.37Å; W10-Y14 WeakPolarHBondContact O-CD2 3.24Å; W10-Y14 PolarHBondContact O-N 3.35Å; I11-Y14 PolarHBondContact O-N 3.47Å; Y14-F16 VanDerWaalsContact C-N 3.32Å; Y14-F16 PolarHBondContact O-N 2.87Å; Y14-F17 PolarHBondContact O-N 2.88Å; Y14-V18 WeakPolarHBondContact O-CB 3.48Å; Y14-V18 WeakPolarHBondContact O-CG2 3.26Å; Y14-V18 PolarHBondContact O-N 3.44Å
15	L	75.4	Confident	64.3	Low	103 Å²	103	103.3 Å²	103.3	54%	0.539	48%	0.482	S	S	.	.	H	α-helix	trans	-62.4	-40.6	176	-75.4	171	0	0	0	111.3	I11 L12 W19	I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.24Å; I11-L15 WeakPolarHBondContact O-CB 3.26Å; I11-L15 VanDerWaalsContact O-CG 3.22Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.28Å; L12-L15 PolarHBondContact O-N 2.9Å; L15-W19 WeakPolarHBondContact O-CB 3.46Å; L15-W19 PolarHBondContact O-N 3.43Å
16	F	71.9	Confident	64.9	Low	131 Å²	131	101.5 Å²	101.5	58%	0.575	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-47.1	174.8	-178.1	-95.7	0	0	0	111.7	L12 I13 Y14 W19 N20	L12-F16 WeakPolarHBondContact O-CB 3.24Å; L12-F16 PolarHBondContact O-N 3.36Å; I13-F16 PolarHBondContact O-N 2.86Å; Y14-F16 VanDerWaalsContact C-N 3.32Å; Y14-F16 PolarHBondContact O-N 2.87Å; F16-W19 PolarHBondContact O-N 3.46Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.39Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.3Å; F16-N20 VanDerWaalsContact CZ-ND2 3.26Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.34Å; F16-N20 WeakPolarHBondContact O-CB 3.19Å; F16-N20 PolarHBondContact O-N 3.2Å; F16-N20 PolarHBondContact O-ND2 3.28Å
17	F	64.5	Low	65.5	Low	135 Å²	135	101.2 Å²	101.2	59%	0.592	48%	0.475	S	S	*	.	H	α-helix	trans	-65.3	-43.6	177.1	-78.3	-63.8	0	0	0	112.1	I13 Y14 Y21	I13-F17 HydrophobicContact CG2-CD2 3.46Å; I13-F17 VanDerWaalsContact CG2-CD2 3.46Å; I13-F17 HydrophobicContact CG2-CE2 3.32Å; I13-F17 WeakPolarHBondContact O-CD2 3.03Å; I13-F17 PolarHBondContact O-N 2.93Å; Y14-F17 PolarHBondContact O-N 2.88Å; F17-Y21 WeakPolarHBondContact O-CB 3.46Å; F17-Y21 PolarHBondContact O-N 2.87Å
18	V	62.5	Low	66.3	Low	65 Å²	65	101.2 Å²	101.2	39%	0.394	47%	0.47	S	S	.	.	H	α-helix	trans	-66.5	-39.4	177.4	171.2	0	0	0	0	110.8	Y14 K22	Y14-V18 WeakPolarHBondContact O-CB 3.48Å; Y14-V18 WeakPolarHBondContact O-CG2 3.26Å; Y14-V18 PolarHBondContact O-N 3.44Å; V18-K22 HydrophobicContact CG1-CD 4.15Å; V18-K22 HydrophobicContact CG1-CG 4.31Å; V18-K22 WeakPolarHBondContact O-CB 3.37Å; V18-K22 VanDerWaalsContact O-CG 3.25Å; V18-K22 WeakPolarHBondContact O-CG 3.16Å; V18-K22 PolarHBondContact O-N 3.44Å
19	W	58.5	Low	67.2	Low	189 Å²	189	98.1 Å²	98.1	72%	0.716	45%	0.448	S	S	*	.	H	α-helix	trans	-63.5	-53.8	175.3	-172.4	-30.8	0	0	0	110.3	L15 F16 Y21 K22 R23	L15-W19 WeakPolarHBondContact O-CB 3.46Å; L15-W19 PolarHBondContact O-N 3.43Å; F16-W19 PolarHBondContact O-N 3.46Å; W19-Y21 PolarHBondContact O-N 2.85Å; W19-K22 PolarHBondContact O-N 3.44Å; W19-R23 WeakPolarHBondContact O-CB 3.1Å; W19-R23 PolarHBondContact O-N 2.9Å
20	N	50	Low	68.5	Low	53 Å²	53	98 Å²	98	28%	0.283	45%	0.45	S	S	.	.	H	α-helix	trans	-61.4	-45	179.3	-75.5	-76.2	0	0	0	111.2	F16 K22 R23 F24	F16-N20 WeakPolarHBondContact CE1-ND2 3.39Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.3Å; F16-N20 VanDerWaalsContact CZ-ND2 3.26Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.34Å; F16-N20 WeakPolarHBondContact O-CB 3.19Å; F16-N20 PolarHBondContact O-N 3.2Å; F16-N20 PolarHBondContact O-ND2 3.28Å; N20-K22 PolarHBondContact O-N 2.88Å; N20-R23 WeakPolarHBondContact O-CB 3.4Å; N20-R23 PolarHBondContact O-N 3.3Å; N20-R23 VanDerWaalsContact O-N 3.16Å; N20-F24 WeakPolarHBondContact O-CD2 3.22Å; N20-F24 PolarHBondContact O-N 3.47Å
21	Y	54.6	Low	69.4	Low	147 Å²	147	99.5 Å²	99.5	58%	0.576	46%	0.46	S	S	*	.	H	α-helix	trans	-59.5	-44.9	175.9	179.6	-97	0	0	0	112.2	F17 W19 F24 N25	F17-Y21 WeakPolarHBondContact O-CB 3.46Å; F17-Y21 PolarHBondContact O-N 2.87Å; W19-Y21 PolarHBondContact O-N 2.85Å; Y21-F24 PolarHBondContact O-N 3.3Å; Y21-N25 PolarHBondContact O-N 2.97Å; Y21-N25 PolarHBondContact OH-ND2 3.38Å
22	K	53.5	Low	70	Confident	129 Å²	129	97.8 Å²	97.8	56%	0.561	45%	0.451	S	S	*	.	H	α-helix	trans	-58.3	-51.2	172.5	-82.4	-175.5	176.7	-171.9	0	109.7	V18 W19 N20 F24 N25 C26	V18-K22 HydrophobicContact CG1-CD 4.15Å; V18-K22 HydrophobicContact CG1-CG 4.31Å; V18-K22 WeakPolarHBondContact O-CB 3.37Å; V18-K22 VanDerWaalsContact O-CG 3.25Å; V18-K22 WeakPolarHBondContact O-CG 3.16Å; V18-K22 PolarHBondContact O-N 3.44Å; W19-K22 PolarHBondContact O-N 3.44Å; N20-K22 PolarHBondContact O-N 2.88Å; K22-F24 VanDerWaalsContact C-N 3.29Å; K22-F24 PolarHBondContact O-N 3.4Å; K22-N25 CarbonylContact O-C 3.33Å; K22-N25 PolarHBondContact O-N 2.92Å; K22-C26 VanDerWaalsContact O-CA 3.24Å; K22-C26 WeakPolarHBondContact O-CA 3.31Å; K22-C26 WeakPolarHBondContact O-CB 3.29Å; K22-C26 PolarHBondContact O-N 3.13Å; K22-C26 PolarHBondContact O-SG 3.2Å
23	R	55.3	Low	70.6	Confident	182 Å²	182	97 Å²	97	69%	0.687	45%	0.451	S	S	*	.	H	α-helix	trans	-55.9	-41	179.8	-167.4	178.3	-178.8	174	0.8	112.8	W19 N20	W19-R23 WeakPolarHBondContact O-CB 3.1Å; W19-R23 PolarHBondContact O-N 2.9Å; N20-R23 WeakPolarHBondContact O-CB 3.4Å; N20-R23 PolarHBondContact O-N 3.3Å; N20-R23 VanDerWaalsContact O-N 3.16Å
24	F	49.9	Very low	71.3	Confident	135 Å²	135	100.5 Å²	100.5	59%	0.592	47%	0.471	S	S	*	.	H	α-helix	trans	-67.9	-35.3	176.8	-81.2	-70.9	0	0	0	113.5	N20 Y21 K22	N20-F24 WeakPolarHBondContact O-CD2 3.22Å; N20-F24 PolarHBondContact O-N 3.47Å; Y21-F24 PolarHBondContact O-N 3.3Å; K22-F24 VanDerWaalsContact C-N 3.29Å; K22-F24 PolarHBondContact O-N 3.4Å
25	N	52.1	Low	72	Confident	35 Å²	35	95.3 Å²	95.3	19%	0.187	45%	0.452	C	S	.	.	H	α-helix	trans	-106.1	14.5	-179.7	-81	-21.8	0	0	0	113.8	Y21 K22 K31	Y21-N25 PolarHBondContact O-N 2.97Å; Y21-N25 PolarHBondContact OH-ND2 3.38Å; K22-N25 CarbonylContact O-C 3.33Å; K22-N25 PolarHBondContact O-N 2.92Å; N25-K31 WeakPolarHBondContact O-CE 3.34Å
26	C	69.4	Low	72.9	Confident	68 Å²	68	92 Å²	92	46%	0.459	43%	0.434	S	S	.	.			trans	-82.1	-27.6	-172.6	-105.1	0	0	0	0	112.3	K22 D28	K22-C26 VanDerWaalsContact O-CA 3.24Å; K22-C26 WeakPolarHBondContact O-CA 3.31Å; K22-C26 WeakPolarHBondContact O-CB 3.29Å; K22-C26 PolarHBondContact O-N 3.13Å; K22-C26 PolarHBondContact O-SG 3.2Å; C26-D28 PolarHBondContact O-N 3.41Å
27	N	80.6	Confident	73.8	Confident	54 Å²	54	92.7 Å²	92.7	29%	0.289	44%	0.439	S	S	.	.			trans	-68.7	120.4	-176.8	-64.7	-23.4	0	0	0	109.2	I29 C30 I194	N27-I29 HydrophobicContact CB-CG2 4.02Å; N27-I29 PolarHBondContact O-N 2.75Å; N27-I29 VanDerWaalsContact O-N 3.12Å; N27-C30 WeakPolarHBondContact O-CB 3.18Å; N27-C30 PolarHBondContact O-N 3.1Å; N27-I194 HydrophobicContact CB-CG2 4.07Å; N27-I194 VanDerWaalsContact ND2-CG2 3.26Å; N27-I194 WeakPolarHBondContact ND2-CG2 3.12Å
28	D	86.5	Confident	75.3	Confident	98 Å²	98	89.8 Å²	89.8	52%	0.524	42%	0.424	S	S	.	.	H	α-helix	trans	-58.7	-29.7	-175.7	-71.4	-33.1	0	0	0	112.3	C26 C30 K31 N32 L35 Y54	C26-D28 PolarHBondContact O-N 3.41Å; D28-C30 PolarHBondContact O-N 3.32Å; D28-K31 PolarHBondContact O-N 3.31Å; D28-N32 PolarHBondContact O-N 3.42Å; D28-L35 HydrophobicContact CB-CD1 3.84Å; D28-Y54 HydrophobicContact CB-CE2 4.12Å; D28-Y54 PolarHBondContact N-OH 2.98Å
29	I	89.7	Confident	76.9	Confident	0 Å²	0	91 Å²	91	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-59.3	-27.6	173.5	-166.2	167.5	0	0	0	114	N27 K31 N32 L35 E36 Y54 I194 K201 P203	N27-I29 HydrophobicContact CB-CG2 4.02Å; N27-I29 PolarHBondContact O-N 2.75Å; N27-I29 VanDerWaalsContact O-N 3.12Å; I29-K31 VanDerWaalsContact C-N 3.25Å; I29-K31 PolarHBondContact O-N 2.91Å; I29-N32 WeakPolarHBondContact CA-O 3.3Å; I29-N32 CarbonylContact O-C 3.51Å; I29-L35 HydrophobicContact CB-CB 4.23Å; I29-L35 HydrophobicContact CG1-CB 4.12Å; I29-E36 HydrophobicContact CD1-CB 4Å; I29-E36 HydrophobicContact CD1-CG 4.42Å; I29-E36 HydrophobicContact CG1-CB 4.46Å; I29-Y54 HydrophobicContact CB-CD1 4.42Å; I29-Y54 HydrophobicContact CB-CE1 3.85Å; I29-Y54 HydrophobicContact CB-CE2 3.95Å; I29-Y54 HydrophobicContact CD1-CD1 4.22Å; I29-Y54 HydrophobicContact CD1-CE1 4.29Å; I29-Y54 HydrophobicContact CG2-CE1 3.91Å; I29-Y54 PolarHBondContact N-OH 3.2Å; I29-I194 HydrophobicContact CG2-CB 4.44Å; I29-I194 HydrophobicContact CG2-CD1 3.75Å; I29-I194 HydrophobicContact CG2-CG2 3.99Å; I29-K201 HydrophobicContact CD1-CB 4.18Å; I29-K201 HydrophobicContact CG1-CB 4.3Å; I29-K201 HydrophobicContact CG1-CG 4.42Å; I29-P203 HydrophobicContact CD1-CB 3.77Å; I29-P203 HydrophobicContact CD1-CG 4.04Å
30	C	90.7	Very high	78.6	Confident	34 Å²	34	83.9 Å²	83.9	23%	0.23	40%	0.402	C	S	.	.	H	α-helix	trans	-70.7	-25.2	176.1	-63.5	0	0	0	0	111.9	N27 D28 C196	N27-C30 WeakPolarHBondContact O-CB 3.18Å; N27-C30 PolarHBondContact O-N 3.1Å; D28-C30 PolarHBondContact O-N 3.32Å; C30-C196 WeakPolarHBondContact CA-SG 3.07Å; C30-C196 HydrophobicContact CB-CB 3.73Å; C30-C196 WeakPolarHBondContact CB-SG 3.25Å; C30-C196 WeakPolarHBondContact SG-CB 3.46Å; C30-C196 CovalentContact SG-SG 2.04Å; C30-C196 PolarHBondContact SG-SG 3.37Å
31	K	89.3	Confident	80.8	Confident	149 Å²	149	83.3 Å²	83.3	65%	0.648	40%	0.4	S	S	*	.	H	α-helix	trans	-97.8	-29.1	177.9	-62.6	173	-170.4	155.8	0	112.3	N25 D28 I29	N25-K31 WeakPolarHBondContact O-CE 3.34Å; D28-K31 PolarHBondContact O-N 3.31Å; I29-K31 VanDerWaalsContact C-N 3.25Å; I29-K31 PolarHBondContact O-N 2.91Å
32	N	89.6	Confident	82.6	Confident	66 Å²	66	76.6 Å²	76.6	35%	0.353	37%	0.374	S	S	.	.			trans	-125.2	91.4	179.7	-175	4.1	0	0	0	109.8	D28 I29 D34 L35	D28-N32 PolarHBondContact O-N 3.42Å; I29-N32 WeakPolarHBondContact CA-O 3.3Å; I29-N32 CarbonylContact O-C 3.51Å; N32-D34 PolarHBondContact O-N 3.27Å; N32-D34 WeakPolarHBondContact OD1-CB 3.49Å; N32-D34 PolarHBondContact OD1-N 3.35Å; N32-L35 HydrophobicContact CB-CD1 3.87Å; N32-L35 HydrophobicContact CB-CG 4.06Å; N32-L35 WeakPolarHBondContact O-CB 3.45Å; N32-L35 PolarHBondContact O-N 3.03Å; N32-L35 VanDerWaalsContact O-N 3.16Å
33	P	87.3	Confident	84.5	Confident	67 Å²	67	72.8 Å²	72.8	44%	0.435	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.8	-178.9	26.4	-33.1	0	0	0	113.3	L35 E36	P33-L35 PolarHBondContact O-N 3.29Å; P33-L35 VanDerWaalsContact O-N 3.14Å; P33-E36 WeakPolarHBondContact O-CB 3.45Å; P33-E36 PolarHBondContact O-N 3.46Å
34	D	90.7	Very high	86.4	Confident	129 Å²	129	67.3 Å²	67.3	69%	0.69	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.1	-18.5	176.5	-59.2	-21.6	0	0	0	112.1	N32 E36 Y38	N32-D34 PolarHBondContact O-N 3.27Å; N32-D34 WeakPolarHBondContact OD1-CB 3.49Å; N32-D34 PolarHBondContact OD1-N 3.35Å; D34-E36 PolarHBondContact O-N 3.35Å; D34-Y38 PolarHBondContact O-N 3Å
35	L	91	Very high	88.5	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.168	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-69.5	-14.3	174.2	-63.1	175.4	0	0	0	113.3	D28 I29 N32 P33 H37 Y38 Y54	D28-L35 HydrophobicContact CB-CD1 3.84Å; I29-L35 HydrophobicContact CB-CB 4.23Å; I29-L35 HydrophobicContact CG1-CB 4.12Å; N32-L35 HydrophobicContact CB-CD1 3.87Å; N32-L35 HydrophobicContact CB-CG 4.06Å; N32-L35 WeakPolarHBondContact O-CB 3.45Å; N32-L35 PolarHBondContact O-N 3.03Å; N32-L35 VanDerWaalsContact O-N 3.16Å; P33-L35 PolarHBondContact O-N 3.29Å; P33-L35 VanDerWaalsContact O-N 3.14Å; L35-H37 VanDerWaalsContact C-N 3.28Å; L35-H37 PolarHBondContact O-N 3.46Å; L35-Y38 HydrophobicContact CD2-CG 4.22Å; L35-Y38 PolarHBondContact O-N 2.92Å; L35-Y54 HydrophobicContact CB-CD2 3.58Å; L35-Y54 HydrophobicContact CB-CE2 4.14Å; L35-Y54 HydrophobicContact CB-CG 4.06Å; L35-Y54 HydrophobicContact CD1-CD2 3.67Å; L35-Y54 HydrophobicContact CD1-CE2 3.64Å; L35-Y54 HydrophobicContact CD2-CD2 4.21Å; L35-Y54 HydrophobicContact CG-CD2 4.01Å; L35-Y54 HydrophobicContact CG-CE2 4.42Å; L35-Y54 VanDerWaalsContact O-CB 3.3Å; L35-Y54 WeakPolarHBondContact O-CB 3.42Å
36	E	92.5	Very high	90.4	Very high	35 Å²	35	69.3 Å²	69.3	16%	0.164	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-64.5	-32.3	180	-168.3	159.9	-159.8	0	0	113.1	I29 P33 D34 K201 K202 P203 E204	I29-E36 HydrophobicContact CD1-CB 4Å; I29-E36 HydrophobicContact CD1-CG 4.42Å; I29-E36 HydrophobicContact CG1-CB 4.46Å; P33-E36 WeakPolarHBondContact O-CB 3.45Å; P33-E36 PolarHBondContact O-N 3.46Å; D34-E36 PolarHBondContact O-N 3.35Å; E36-K201 WeakPolarHBondContact OE2-CD 3.47Å; E36-K201 IonicContact OE2-NZ 2.85Å; E36-K201 PolarHBondContact OE2-NZ 2.86Å; E36-K202 PolarHBondContact OE1-N 3.11Å; E36-P203 WeakPolarHBondContact O-CA 3.48Å; E36-E204 PolarHBondContact O-N 3.38Å
37	H	92.5	Very high	91.7	Very high	144 Å²	144	69.3 Å²	69.3	67%	0.667	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-125.5	22.1	177	-56.7	-53.4	0	0	0	112.2	L35 E39	L35-H37 VanDerWaalsContact C-N 3.28Å; L35-H37 PolarHBondContact O-N 3.46Å; H37-E39 PolarHBondContact O-N 3.31Å
38	Y	94.1	Very high	92.4	Very high	74 Å²	74	68.3 Å²	68.3	29%	0.29	35%	0.347	S	S	.	.			trans	-65.5	121.5	-178.3	171.3	-94.6	0	0	0	110.7	D34 L35 N40 H53	D34-Y38 PolarHBondContact O-N 3Å; L35-Y38 HydrophobicContact CD2-CG 4.22Å; L35-Y38 PolarHBondContact O-N 2.92Å; Y38-N40 HydrophobicContact CE1-CB 4.28Å; Y38-N40 HydrophobicContact CE2-CB 4.49Å; Y38-N40 WeakPolarHBondContact OH-CB 3.37Å; Y38-H53 WeakPolarHBondContact O-CA 3.45Å; Y38-H53 PolarHBondContact O-ND1 3.31Å
39	E	96	Very high	92.9	Very high	91 Å²	91	64.5 Å²	64.5	43%	0.425	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.9	171.2	176.2	175.5	-142.4	0	0	109.3	H37 V41 R49 L52 H53	H37-E39 PolarHBondContact O-N 3.31Å; E39-V41 HydrophobicContact CG-CG2 4.05Å; E39-R49 IonicContact OE1-CZ 2.79Å; E39-R49 IonicContact OE1-NH2 2.65Å; E39-R49 PolarHBondContact OE1-NH2 3.43Å; E39-R49 IonicContact OE2-NH2 3.71Å; E39-L52 CarbonylContact C-O 3.52Å; E39-L52 WeakPolarHBondContact CA-O 3.4Å; E39-H53 IonicContact OE1-CE1 2.77Å
40	N	95	Very high	93.2	Very high	40 Å²	40	64.6 Å²	64.6	21%	0.214	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	104.5	168.5	-175.5	1.3	0	0	0	110	Y38 I42 S51 L52 G252	Y38-N40 HydrophobicContact CE1-CB 4.28Å; Y38-N40 HydrophobicContact CE2-CB 4.49Å; Y38-N40 WeakPolarHBondContact OH-CB 3.37Å; N40-I42 HydrophobicContact CB-CD1 4.43Å; N40-I42 PolarHBondContact O-N 2.98Å; N40-S51 CarbonylContact O-C 3.52Å; N40-S51 VanDerWaalsContact O-CA 3.26Å; N40-S51 WeakPolarHBondContact O-CA 3.17Å; N40-L52 HydrophobicContact CB-CB 4.46Å; N40-L52 PolarHBondContact N-O 3.48Å; N40-L52 PolarHBondContact O-N 3.37Å; N40-G252 PolarHBondContact ND2-O 2.86Å
41	V	95.7	Very high	93.4	Very high	40 Å²	40	63 Å²	63	24%	0.242	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	109.3	177.5	-175.6	0	0	0	0	110	E39 E44 R49 K251	E39-V41 HydrophobicContact CG-CG2 4.05Å; V41-E44 HydrophobicContact CG1-CB 3.99Å; V41-R49 HydrophobicContact CG1-CG 4.43Å; V41-K251 WeakPolarHBondContact O-CE 3.26Å
42	I	94	Very high	93.7	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-41.5	-177.5	-52.5	-50.8	0	0	0	110.5	N40 Y50 L52 K251 D270	N40-I42 HydrophobicContact CB-CD1 4.43Å; N40-I42 PolarHBondContact O-N 2.98Å; I42-Y50 HydrophobicContact CB-CD1 3.79Å; I42-Y50 HydrophobicContact CB-CE1 4.43Å; I42-Y50 HydrophobicContact CG1-CD1 3.95Å; I42-Y50 HydrophobicContact CG1-CE1 4.17Å; I42-Y50 HydrophobicContact CG2-CD1 4.18Å; I42-Y50 PolarHBondContact N-O 2.89Å; I42-L52 HydrophobicContact CD1-CD1 3.96Å; I42-L52 HydrophobicContact CD1-CG 4.11Å; I42-L52 HydrophobicContact CG1-CD1 4.16Å; I42-L52 HydrophobicContact CG1-CG 3.89Å; I42-K251 HydrophobicContact CG2-CB 4.22Å; I42-K251 HydrophobicContact CG2-CG 4.47Å; I42-K251 WeakPolarHBondContact O-CD 3.47Å; I42-K251 WeakPolarHBondContact O-CE 3.35Å; I42-K251 PolarHBondContact O-NZ 2.87Å; I42-D270 VanDerWaalsContact CG2-O 3.25Å; I42-D270 WeakPolarHBondContact CG2-O 3.36Å
43	F	92.6	Very high	94	Very high	49 Å²	49	53 Å²	53	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	141.3	179.3	-177.5	-82.7	0	0	0	109.3	N45 Y48 R49 Y50	F43-N45 HydrophobicContact CE1-CB 3.98Å; F43-N45 WeakPolarHBondContact CE1-ND2 3.36Å; F43-N45 HydrophobicContact CZ-CB 4.2Å; F43-Y48 AromaticContact CD1-CD1 3.64Å; F43-Y48 HydrophobicContact CD1-CD1 3.64Å; F43-Y48 HydrophobicContact CD1-CE1 4.39Å; F43-Y48 AromaticContact CE1-CD1 3.92Å; F43-Y48 HydrophobicContact CE1-CD1 3.92Å; F43-R49 CarbonylContact O-C 3.39Å; F43-R49 WeakPolarHBondContact O-CA 3.25Å; F43-Y50 PolarHBondContact N-O 3.45Å; F43-Y50 VanDerWaalsContact N-O 3.13Å; F43-Y50 PolarHBondContact O-N 2.94Å
44	E	94.1	Very high	94.2	Very high	67 Å²	67	51.5 Å²	51.5	31%	0.313	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	129.2	173.6	-173.3	166.9	175.1	0	0	109.8	V41 Y48 R49 K210 W211	V41-E44 HydrophobicContact CG1-CB 3.99Å; E44-Y48 WeakPolarHBondContact CA-O 3.04Å; E44-R49 HydrophobicContact CB-CG 4.3Å; E44-R49 VanDerWaalsContact CD-NH1 3.28Å; E44-R49 HydrophobicContact CG-CB 4.21Å; E44-R49 HydrophobicContact CG-CG 4.17Å; E44-R49 IonicContact OE1-NH1 2.69Å; E44-R49 PolarHBondContact OE1-NH1 2.73Å; E44-R49 VanDerWaalsContact OE1-NH1 3.17Å; E44-R49 IonicContact OE2-CZ 3.5Å; E44-R49 VanDerWaalsContact OE2-CZ 3.32Å; E44-R49 IonicContact OE2-NE 2.71Å; E44-R49 IonicContact OE2-NH1 3.73Å; E44-R49 PolarHBondContact OE2-NH1 3.09Å; E44-K210 WeakPolarHBondContact OE1-CE 3.36Å; E44-K210 IonicContact OE1-NZ 2.62Å; E44-K210 PolarHBondContact OE1-NZ 2.91Å; E44-W211 HydrophobicContact CG-CZ2 4.01Å; E44-W211 PolarHBondContact OE1-NE1 2.75Å
45	N	94	Very high	94.3	Very high	68 Å²	68	46.7 Å²	46.7	36%	0.364	23%	0.227	S	C	.	.			trans	-136.7	-165.6	166	71.3	17.9	0	0	0	108.9	F43 T47 Y48 W211	F43-N45 HydrophobicContact CE1-CB 3.98Å; F43-N45 WeakPolarHBondContact CE1-ND2 3.36Å; F43-N45 HydrophobicContact CZ-CB 4.2Å; N45-T47 VanDerWaalsContact C-N 3.29Å; N45-T47 PolarHBondContact O-N 3.4Å; N45-T47 PolarHBondContact OD1-N 2.87Å; N45-T47 PolarHBondContact OD1-OG1 3.29Å; N45-Y48 PolarHBondContact N-O 2.77Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.47Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.1Å; N45-Y48 PolarHBondContact OD1-N 3.37Å; N45-Y48 PolarHBondContact OD1-O 3.37Å; N45-W211 WeakPolarHBondContact O-CH2 3.36Å; N45-W211 VanDerWaalsContact O-CZ2 3.28Å; N45-W211 WeakPolarHBondContact O-CZ2 3.42Å
46	D	93.6	Very high	94.5	Very high	144 Å²	144	45.3 Å²	45.3	77%	0.77	22%	0.22	S	C	*	.	S	Bend	trans	-71.8	-18	-175.7	-64.5	-26.9	0	0	0	115.1	R62	D46-R62 WeakPolarHBondContact O-CD 3.26Å
47	T	95.1	Very high	94.7	Very high	69 Å²	69	44 Å²	44	42%	0.423	21%	0.214	S	C	.	.	S	Bend	trans	-123	-12.5	-173.9	59.5	0	0	0	0	113.9	N45 Q61 R62	N45-T47 VanDerWaalsContact C-N 3.29Å; N45-T47 PolarHBondContact O-N 3.4Å; N45-T47 PolarHBondContact OD1-N 2.87Å; N45-T47 PolarHBondContact OD1-OG1 3.29Å; T47-Q61 WeakPolarHBondContact O-CA 3.36Å; T47-R62 PolarHBondContact O-N 2.79Å
48	Y	95.6	Very high	94.9	Very high	32 Å²	32	37.1 Å²	37.1	13%	0.125	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	134.4	-172.1	-164.8	-96.9	0	0	0	112	F43 E44 N45 R59 I60 Q61 D270	F43-Y48 AromaticContact CD1-CD1 3.64Å; F43-Y48 HydrophobicContact CD1-CD1 3.64Å; F43-Y48 HydrophobicContact CD1-CE1 4.39Å; F43-Y48 AromaticContact CE1-CD1 3.92Å; F43-Y48 HydrophobicContact CE1-CD1 3.92Å; E44-Y48 WeakPolarHBondContact CA-O 3.04Å; N45-Y48 PolarHBondContact N-O 2.77Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.47Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.1Å; N45-Y48 PolarHBondContact OD1-N 3.37Å; N45-Y48 PolarHBondContact OD1-O 3.37Å; Y48-R59 HydrophobicContact CE2-CG 3.8Å; Y48-R59 WeakPolarHBondContact OH-CD 3.43Å; Y48-R59 WeakPolarHBondContact OH-CG 3.09Å; Y48-R59 PolarHBondContact OH-NE 3.33Å; Y48-I60 CarbonylContact C-O 3.49Å; Y48-I60 VanDerWaalsContact CA-O 3.32Å; Y48-I60 WeakPolarHBondContact CA-O 3.36Å; Y48-Q61 HydrophobicContact CD2-CG 3.66Å; Y48-Q61 HydrophobicContact CE2-CG 3.56Å; Y48-D270 WeakPolarHBondContact CE1-OD1 3.49Å; Y48-D270 VanDerWaalsContact CZ-OD1 3.29Å; Y48-D270 PolarHBondContact OH-OD1 2.88Å; Y48-D270 PolarHBondContact OH-OD2 2.81Å
49	R	96.7	Very high	95	Very high	18 Å²	18	34 Å²	34	7%	0.068	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.6	170.2	179.3	175.3	173.8	142.6	-11.5	110.2	E39 V41 F43 E44 R59 I60 W211	E39-R49 IonicContact OE1-CZ 2.79Å; E39-R49 IonicContact OE1-NH2 2.65Å; E39-R49 PolarHBondContact OE1-NH2 3.43Å; E39-R49 IonicContact OE2-NH2 3.71Å; V41-R49 HydrophobicContact CG1-CG 4.43Å; F43-R49 CarbonylContact O-C 3.39Å; F43-R49 WeakPolarHBondContact O-CA 3.25Å; E44-R49 HydrophobicContact CB-CG 4.3Å; E44-R49 VanDerWaalsContact CD-NH1 3.28Å; E44-R49 HydrophobicContact CG-CB 4.21Å; E44-R49 HydrophobicContact CG-CG 4.17Å; E44-R49 IonicContact OE1-NH1 2.69Å; E44-R49 PolarHBondContact OE1-NH1 2.73Å; E44-R49 VanDerWaalsContact OE1-NH1 3.17Å; E44-R49 IonicContact OE2-CZ 3.5Å; E44-R49 VanDerWaalsContact OE2-CZ 3.32Å; E44-R49 IonicContact OE2-NE 2.71Å; E44-R49 IonicContact OE2-NH1 3.73Å; E44-R49 PolarHBondContact OE2-NH1 3.09Å; R49-R59 CarbonylContact O-C 3.6Å; R49-R59 WeakPolarHBondContact O-CA 3.24Å; R49-I60 HydrophobicContact CB-CB 4.21Å; R49-I60 HydrophobicContact CB-CD1 4.47Å; R49-I60 HydrophobicContact CB-CG1 4.43Å; R49-I60 PolarHBondContact N-O 3.46Å; R49-I60 PolarHBondContact O-N 3.47Å; R49-W211 HydrophobicContact CB-CH2 4.06Å; R49-W211 HydrophobicContact CB-CZ2 3.66Å
50	Y	96.4	Very high	95.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.8	172	-176.6	-114.3	0	0	0	110.3	I42 F43 L52 S57 M58 R59 D270	I42-Y50 HydrophobicContact CB-CD1 3.79Å; I42-Y50 HydrophobicContact CB-CE1 4.43Å; I42-Y50 HydrophobicContact CG1-CD1 3.95Å; I42-Y50 HydrophobicContact CG1-CE1 4.17Å; I42-Y50 HydrophobicContact CG2-CD1 4.18Å; I42-Y50 PolarHBondContact N-O 2.89Å; F43-Y50 PolarHBondContact N-O 3.45Å; F43-Y50 VanDerWaalsContact N-O 3.13Å; F43-Y50 PolarHBondContact O-N 2.94Å; Y50-L52 HydrophobicContact CE1-CD2 4Å; Y50-S57 WeakPolarHBondContact OH-CB 3.5Å; Y50-M58 WeakPolarHBondContact CA-O 3.49Å; Y50-R59 HydrophobicContact CD2-CB 4.17Å; Y50-D270 HydrophobicContact CD1-CB 3.57Å; Y50-D270 HydrophobicContact CD2-CB 4.27Å; Y50-D270 HydrophobicContact CE1-CB 3.82Å; Y50-D270 HydrophobicContact CE2-CB 4.48Å; Y50-D270 HydrophobicContact CG-CB 3.81Å
51	S	96.5	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.6	-176.9	55.4	0	0	0	0	111.5	N40 H53 S57 M58	N40-S51 CarbonylContact O-C 3.52Å; N40-S51 VanDerWaalsContact O-CA 3.26Å; N40-S51 WeakPolarHBondContact O-CA 3.17Å; S51-H53 PolarHBondContact OG-NE2 3.28Å; S51-S57 CarbonylContact O-C 3.54Å; S51-S57 WeakPolarHBondContact O-CA 3.16Å; S51-M58 PolarHBondContact N-O 3.37Å; S51-M58 PolarHBondContact O-N 3.35Å; S51-M58 VanDerWaalsContact OG-CE 3.32Å; S51-M58 WeakPolarHBondContact OG-CE 3Å; S51-M58 PolarHBondContact OG-O 2.79Å
52	L	95.2	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137	174.9	-57.6	178.3	0	0	0	109.5	E39 N40 I42 Y50 I223 K254 I256	E39-L52 CarbonylContact C-O 3.52Å; E39-L52 WeakPolarHBondContact CA-O 3.4Å; N40-L52 HydrophobicContact CB-CB 4.46Å; N40-L52 PolarHBondContact N-O 3.48Å; N40-L52 PolarHBondContact O-N 3.37Å; I42-L52 HydrophobicContact CD1-CD1 3.96Å; I42-L52 HydrophobicContact CD1-CG 4.11Å; I42-L52 HydrophobicContact CG1-CD1 4.16Å; I42-L52 HydrophobicContact CG1-CG 3.89Å; Y50-L52 HydrophobicContact CE1-CD2 4Å; L52-I223 HydrophobicContact CD2-CD1 4.09Å; L52-K254 HydrophobicContact CD1-CB 4.4Å; L52-K254 HydrophobicContact CD1-CD 4.49Å; L52-I256 HydrophobicContact CD1-CD1 4.15Å; L52-I256 HydrophobicContact CD2-CD1 3.99Å
53	H	95.6	Very high	95.4	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.032	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	-178.4	176.1	-58.1	-94	0	0	0	109.3	Y38 E39 S51 Y55 Y56 I205	Y38-H53 WeakPolarHBondContact O-CA 3.45Å; Y38-H53 PolarHBondContact O-ND1 3.31Å; E39-H53 IonicContact OE1-CE1 2.77Å; S51-H53 PolarHBondContact OG-NE2 3.28Å; H53-Y55 PolarHBondContact O-N 3.04Å; H53-Y56 WeakPolarHBondContact CA-O 3.48Å; H53-Y56 VanDerWaalsContact CB-O 3.32Å; H53-Y56 WeakPolarHBondContact CB-O 3.43Å; H53-Y56 PolarHBondContact N-O 3.13Å; H53-I205 HydrophobicContact CB-CD1 3.37Å; H53-I205 HydrophobicContact CB-CG1 3.73Å
54	Y	91.7	Very high	95.6	Very high	34 Å²	34	37.8 Å²	37.8	13%	0.133	19%	0.185	C	C	.	.	S	Bend	trans	-52.8	-51.2	-175.4	169.3	-118.9	0	0	0	113.5	D28 I29 L35 I194 P203	D28-Y54 HydrophobicContact CB-CE2 4.12Å; D28-Y54 PolarHBondContact N-OH 2.98Å; I29-Y54 HydrophobicContact CB-CD1 4.42Å; I29-Y54 HydrophobicContact CB-CE1 3.85Å; I29-Y54 HydrophobicContact CB-CE2 3.95Å; I29-Y54 HydrophobicContact CD1-CD1 4.22Å; I29-Y54 HydrophobicContact CD1-CE1 4.29Å; I29-Y54 HydrophobicContact CG2-CE1 3.91Å; I29-Y54 PolarHBondContact N-OH 3.2Å; L35-Y54 HydrophobicContact CB-CD2 3.58Å; L35-Y54 HydrophobicContact CB-CE2 4.14Å; L35-Y54 HydrophobicContact CB-CG 4.06Å; L35-Y54 HydrophobicContact CD1-CD2 3.67Å; L35-Y54 HydrophobicContact CD1-CE2 3.64Å; L35-Y54 HydrophobicContact CD2-CD2 4.21Å; L35-Y54 HydrophobicContact CG-CD2 4.01Å; L35-Y54 HydrophobicContact CG-CE2 4.42Å; L35-Y54 VanDerWaalsContact O-CB 3.3Å; L35-Y54 WeakPolarHBondContact O-CB 3.42Å; Y54-I194 HydrophobicContact CE1-CD1 3.86Å; Y54-P203 HydrophobicContact CD1-CB 4.31Å
55	Y	93	Very high	95.6	Very high	29 Å²	29	39.6 Å²	39.6	11%	0.114	20%	0.202	C	C	.	.	S	Bend	trans	-115.3	-19.3	-174	-154.6	-91.8	0	0	0	113.8	H53 Y92 G93 V222 I223	H53-Y55 PolarHBondContact O-N 3.04Å; Y55-Y92 HydrophobicContact CG-CD1 4.11Å; Y55-G93 VanDerWaalsContact CE1-N 3.27Å; Y55-G93 WeakPolarHBondContact OH-CA 3.5Å; Y55-G93 PolarHBondContact OH-N 3.14Å; Y55-V222 HydrophobicContact CD1-CG1 4.21Å; Y55-V222 HydrophobicContact CE1-CG1 3.62Å; Y55-V222 HydrophobicContact CE1-CG2 4.29Å; Y55-I223 PolarHBondContact O-N 3.31Å
56	Y	95.6	Very high	95.6	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.1	-173.3	-65.5	-87.3	0	0	0	111	H53 F91 Y92 I190 I205 F220 E221 V222 I223	H53-Y56 WeakPolarHBondContact CA-O 3.48Å; H53-Y56 VanDerWaalsContact CB-O 3.32Å; H53-Y56 WeakPolarHBondContact CB-O 3.43Å; H53-Y56 PolarHBondContact N-O 3.13Å; Y56-F91 WeakPolarHBondContact OH-CA 3.03Å; Y56-Y92 HydrophobicContact CD2-CD1 4.42Å; Y56-Y92 HydrophobicContact CD2-CE1 4.03Å; Y56-Y92 HydrophobicContact CD2-CE2 4.32Å; Y56-Y92 AromaticContact CD2-CZ 4Å; Y56-Y92 AromaticContact CE2-CD1 3.95Å; Y56-Y92 HydrophobicContact CE2-CD1 3.95Å; Y56-Y92 AromaticContact CE2-CD2 3.76Å; Y56-Y92 HydrophobicContact CE2-CD2 3.76Å; Y56-Y92 AromaticContact CE2-CE1 3.93Å; Y56-Y92 HydrophobicContact CE2-CE1 3.93Å; Y56-Y92 AromaticContact CE2-CE2 3.73Å; Y56-Y92 HydrophobicContact CE2-CE2 3.73Å; Y56-Y92 AromaticContact CE2-CG 3.89Å; Y56-Y92 HydrophobicContact CE2-CG 3.89Å; Y56-Y92 AromaticContact CE2-CZ 3.84Å; Y56-Y92 PolarHBondContact OH-N 3.34Å; Y56-I190 HydrophobicContact CD2-CD1 3.68Å; Y56-I190 HydrophobicContact CE2-CD1 3.87Å; Y56-I190 HydrophobicContact CG-CD1 4.11Å; Y56-I205 HydrophobicContact CD2-CD1 4.09Å; Y56-I205 HydrophobicContact CG-CD1 4.33Å; Y56-F220 HydrophobicContact CD1-CB 4.05Å; Y56-F220 HydrophobicContact CG-CB 4.45Å; Y56-E221 CarbonylContact C-O 3.54Å; Y56-E221 WeakPolarHBondContact CA-O 3.32Å; Y56-V222 HydrophobicContact CD1-CG2 4.12Å; Y56-V222 HydrophobicContact CE1-CG2 3.56Å; Y56-I223 VanDerWaalsContact C-CD1 3.47Å; Y56-I223 WeakPolarHBondContact O-CD1 3.13Å
57	S	95.2	Very high	95.5	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	150.2	153.3	63.5	0	0	0	0	108.7	Y50 S51 F220 E221	Y50-S57 WeakPolarHBondContact OH-CB 3.5Å; S51-S57 CarbonylContact O-C 3.54Å; S51-S57 WeakPolarHBondContact O-CA 3.16Å; S57-F220 VanDerWaalsContact O-CA 3.3Å; S57-F220 WeakPolarHBondContact O-CA 3.5Å; S57-E221 PolarHBondContact N-O 3Å; S57-E221 PolarHBondContact O-N 2.61Å
58	M	97.6	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.2	174.7	179	-178.4	64.7	0	0	108.8	Y50 S51 I60 I205 V207 V218 E219 F220	Y50-M58 WeakPolarHBondContact CA-O 3.49Å; S51-M58 PolarHBondContact N-O 3.37Å; S51-M58 PolarHBondContact O-N 3.35Å; S51-M58 VanDerWaalsContact OG-CE 3.32Å; S51-M58 WeakPolarHBondContact OG-CE 3Å; S51-M58 PolarHBondContact OG-O 2.79Å; M58-I60 HydrophobicContact CE-CD1 4.02Å; M58-I60 HydrophobicContact CE-CG1 4.49Å; M58-I60 HydrophobicContact CG-CG1 4.17Å; M58-I60 HydrophobicContact SD-CD1 4.17Å; M58-I60 HydrophobicContact SD-CG1 4.36Å; M58-I205 HydrophobicContact SD-CG2 4.12Å; M58-V207 HydrophobicContact SD-CG2 4.23Å; M58-V218 HydrophobicContact CG-CG1 3.74Å; M58-V218 HydrophobicContact SD-CG1 3.98Å; M58-E219 WeakPolarHBondContact CA-O 3.47Å; M58-F220 HydrophobicContact CB-CD1 4.04Å; M58-F220 HydrophobicContact CB-CE1 4.05Å; M58-F220 HydrophobicContact CG-CD1 4.11Å; M58-F220 HydrophobicContact CG-CE1 3.75Å; M58-F220 HydrophobicContact CG-CZ 4.36Å; M58-F220 HydrophobicContact SD-CE1 3.68Å; M58-F220 HydrophobicContact SD-CZ 4.08Å
59	R	96.8	Very high	95.4	Very high	9 Å²	9	34.3 Å²	34.3	3%	0.034	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.9	171.5	-177.2	-177	-63.8	117.7	3.6	109.1	Y48 R49 Y50 Q61 V218 E219 L266 D270	Y48-R59 HydrophobicContact CE2-CG 3.8Å; Y48-R59 WeakPolarHBondContact OH-CD 3.43Å; Y48-R59 WeakPolarHBondContact OH-CG 3.09Å; Y48-R59 PolarHBondContact OH-NE 3.33Å; R49-R59 CarbonylContact O-C 3.6Å; R49-R59 WeakPolarHBondContact O-CA 3.24Å; Y50-R59 HydrophobicContact CD2-CB 4.17Å; R59-Q61 HydrophobicContact CG-CG 4.19Å; R59-V218 CarbonylContact O-C 3.48Å; R59-V218 WeakPolarHBondContact O-CA 3.44Å; R59-E219 HydrophobicContact CB-CB 4.46Å; R59-E219 PolarHBondContact N-O 3.02Å; R59-E219 IonicContact NH1-OE2 2.65Å; R59-E219 PolarHBondContact NH1-OE2 3.01Å; R59-E219 PolarHBondContact O-N 3.07Å; R59-L266 VanDerWaalsContact CZ-CD2 3.44Å; R59-D270 IonicContact CZ-OD2 3.78Å; R59-D270 IonicContact NE-OD2 3.63Å; R59-D270 PolarHBondContact NE-OD2 3.4Å; R59-D270 VanDerWaalsContact NE-OD2 3.12Å; R59-D270 IonicContact NH2-OD2 3.32Å; R59-D270 PolarHBondContact NH2-OD2 2.96Å
60	I	97.9	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.5	174.5	-47.1	-178	0	0	0	108.8	Y48 R49 M58 V207 W211 L217 V218	Y48-I60 CarbonylContact C-O 3.49Å; Y48-I60 VanDerWaalsContact CA-O 3.32Å; Y48-I60 WeakPolarHBondContact CA-O 3.36Å; R49-I60 HydrophobicContact CB-CB 4.21Å; R49-I60 HydrophobicContact CB-CD1 4.47Å; R49-I60 HydrophobicContact CB-CG1 4.43Å; R49-I60 PolarHBondContact N-O 3.46Å; R49-I60 PolarHBondContact O-N 3.47Å; M58-I60 HydrophobicContact CE-CD1 4.02Å; M58-I60 HydrophobicContact CE-CG1 4.49Å; M58-I60 HydrophobicContact CG-CG1 4.17Å; M58-I60 HydrophobicContact SD-CD1 4.17Å; M58-I60 HydrophobicContact SD-CG1 4.36Å; I60-V207 HydrophobicContact CD1-CG1 4.08Å; I60-W211 HydrophobicContact CB-CD2 4.35Å; I60-W211 HydrophobicContact CB-CE3 4.08Å; I60-W211 HydrophobicContact CB-CZ3 4.48Å; I60-W211 HydrophobicContact CD1-CB 3.98Å; I60-W211 HydrophobicContact CD1-CD2 4.21Å; I60-W211 HydrophobicContact CD1-CG 3.82Å; I60-W211 HydrophobicContact CG2-CB 4.06Å; I60-W211 HydrophobicContact CG2-CD2 3.85Å; I60-W211 HydrophobicContact CG2-CE3 3.37Å; I60-W211 HydrophobicContact CG2-CG 4.14Å; I60-W211 HydrophobicContact CG2-CZ3 4.07Å; I60-L217 CarbonylContact C-O 3.57Å; I60-L217 WeakPolarHBondContact CA-O 3.47Å; I60-V218 HydrophobicContact CD1-CG2 4.44Å; I60-V218 HydrophobicContact CG1-CG1 4.26Å; I60-V218 HydrophobicContact CG1-CG2 4.14Å; I60-V218 HydrophobicContact CG2-CG2 4.12Å
61	Q	97.2	Very high	95.1	Very high	44 Å²	44	43.7 Å²	43.7	21%	0.206	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.3	178.7	-63.7	-179.6	-108.7	0	0	110	T47 Y48 R59 Q64 S216 L217	T47-Q61 WeakPolarHBondContact O-CA 3.36Å; Y48-Q61 HydrophobicContact CD2-CG 3.66Å; Y48-Q61 HydrophobicContact CE2-CG 3.56Å; R59-Q61 HydrophobicContact CG-CG 4.19Å; Q61-Q64 HydrophobicContact CB-CG 3.63Å; Q61-S216 CarbonylContact O-C 3.53Å; Q61-S216 WeakPolarHBondContact O-CA 3.37Å; Q61-L217 PolarHBondContact N-O 2.77Å; Q61-L217 PolarHBondContact O-N 3.3Å
62	R	96.7	Very high	95.1	Very high	75 Å²	75	48.1 Å²	48.1	28%	0.283	25%	0.247	S	C	.	.	S	Bend	trans	-89.4	165.9	171.7	-56.8	-165.2	80.2	-151.6	-3.8	111.7	D46 T47 Q64 W211 K213 G215	D46-R62 WeakPolarHBondContact O-CD 3.26Å; T47-R62 PolarHBondContact O-N 2.79Å; R62-Q64 PolarHBondContact O-N 2.8Å; R62-Q64 PolarHBondContact O-NE2 3.45Å; R62-W211 HydrophobicContact CG-CE3 4Å; R62-W211 HydrophobicContact CG-CZ3 3.68Å; R62-K213 VanDerWaalsContact NH2-CD 3.29Å; R62-G215 CarbonylContact C-O 3.57Å
63	N	95.4	Very high	95.2	Very high	127 Å²	127	48.8 Å²	48.8	68%	0.679	25%	0.25	S	C	*	.	S	Bend	trans	56	34	176.2	-50.6	-38.1	0	0	0	113.2	G215	N63-G215 PolarHBondContact N-O 2.8Å
64	Q	96.9	Very high	95.1	Very high	60 Å²	60	53.8 Å²	53.8	28%	0.28	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-85.9	139	174.9	-59.9	-51.9	-62.9	0	0	109.7	Q61 R62 G215 L217	Q61-Q64 HydrophobicContact CB-CG 3.63Å; R62-Q64 PolarHBondContact O-N 2.8Å; R62-Q64 PolarHBondContact O-NE2 3.45Å; Q64-G215 PolarHBondContact N-O 3.39Å; Q64-L217 HydrophobicContact CB-CB 3.84Å; Q64-L217 HydrophobicContact CG-CB 3.74Å; Q64-L217 HydrophobicContact CG-CD2 4.35Å
65	P	95.2	Very high	95.3	Very high	104 Å²	104	54.6 Å²	54.6	68%	0.675	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-69.2	162	172.4	31.6	-35.2	0	0	0	110.2	P67	P65-P67 WeakPolarHBondContact O-CD 3.43Å; P65-P67 VanDerWaalsContact O-N 3.14Å
66	Q	93.4	Very high	95.2	Very high	69 Å²	69	61.7 Å²	61.7	32%	0.322	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-55.2	121.1	170.9	-176.7	176	58.5	0	0	109.3	V68 S70 D175	Q66-V68 WeakPolarHBondContact CG-O 3.07Å; Q66-V68 PolarHBondContact O-N 3.41Å; Q66-V68 PolarHBondContact OE1-O 2.79Å; Q66-S70 PolarHBondContact NE2-OG 3.27Å; Q66-S70 PolarHBondContact OE1-OG 3.41Å; Q66-S70 VanDerWaalsContact OE1-OG 3.11Å; Q66-D175 VanDerWaalsContact CD-OD1 3.29Å; Q66-D175 VanDerWaalsContact CG-OD1 3.25Å; Q66-D175 WeakPolarHBondContact CG-OD1 3.45Å; Q66-D175 PolarHBondContact NE2-OD1 2.98Å
67	P	91.7	Very high	95	Very high	63 Å²	63	62.5 Å²	62.5	41%	0.409	32%	0.319	S	S	.	.	S	Bend	trans	-68.1	-21.2	-174.4	25.2	-34.5	0	0	0	112.8	P65 L163 H173	P65-P67 WeakPolarHBondContact O-CD 3.43Å; P65-P67 VanDerWaalsContact O-N 3.14Å; P67-L163 HydrophobicContact CB-CD1 4.1Å; P67-L163 HydrophobicContact CG-CD1 3.57Å; P67-H173 VanDerWaalsContact CD-CG 3.48Å; P67-H173 HydrophobicContact CG-CB 4.09Å
68	V	94.7	Very high	94.5	Very high	10 Å²	10	69.1 Å²	69.1	6%	0.061	35%	0.354	C	S	.	.	S	Bend	trans	-145.7	130.1	-174.9	-174.7	0	0	0	0	110.3	Q66 S70 R72 F73 L135 L140 L163	Q66-V68 WeakPolarHBondContact CG-O 3.07Å; Q66-V68 PolarHBondContact O-N 3.41Å; Q66-V68 PolarHBondContact OE1-O 2.79Å; V68-S70 PolarHBondContact O-N 3.17Å; V68-R72 HydrophobicContact CG1-CB 4.16Å; V68-F73 HydrophobicContact CB-CE2 4.27Å; V68-F73 HydrophobicContact CG1-CE2 4.21Å; V68-L135 HydrophobicContact CG1-CD1 3.52Å; V68-L140 HydrophobicContact CG1-CD2 4.31Å; V68-L140 HydrophobicContact CG2-CD2 3.64Å; V68-L163 HydrophobicContact CB-CD1 4.49Å; V68-L163 HydrophobicContact CG2-CD1 3.55Å; V68-L163 HydrophobicContact CG2-CD2 4.13Å
69	S	94.5	Very high	94.3	Very high	60 Å²	60	76 Å²	76	42%	0.42	38%	0.384	S	S	.	.			trans	-52.1	132.9	177.2	176.8	0	0	0	0	112.3	E71 R72	S69-E71 PolarHBondContact O-N 3.29Å; S69-E71 VanDerWaalsContact O-N 3.09Å; S69-E71 PolarHBondContact OG-N 3.14Å; S69-R72 WeakPolarHBondContact O-CB 3.33Å; S69-R72 PolarHBondContact O-N 3.09Å
70	S	92.9	Very high	94.1	Very high	49 Å²	49	80 Å²	80	34%	0.343	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-54.1	-27.4	177.5	-75	0	0	0	0	114.8	Q66 V68 R72 F73 K144	Q66-S70 PolarHBondContact NE2-OG 3.27Å; Q66-S70 PolarHBondContact OE1-OG 3.41Å; Q66-S70 VanDerWaalsContact OE1-OG 3.11Å; V68-S70 PolarHBondContact O-N 3.17Å; S70-R72 VanDerWaalsContact C-N 3.27Å; S70-R72 PolarHBondContact O-N 3.4Å; S70-F73 PolarHBondContact O-N 3.43Å; S70-K144 PolarHBondContact O-NZ 2.03Å; S70-K144 PolarHBondContact OG-NZ 3.08Å
71	E	94.2	Very high	94.1	Very high	169 Å²	169	82.6 Å²	82.6	79%	0.79	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-70.4	-21.6	180	-63.6	178.3	173.5	0	0	113.2	S69 F73	S69-E71 PolarHBondContact O-N 3.29Å; S69-E71 VanDerWaalsContact O-N 3.09Å; S69-E71 PolarHBondContact OG-N 3.14Å; E71-F73 VanDerWaalsContact C-N 3.25Å; E71-F73 PolarHBondContact O-N 3.12Å
72	R	96.8	Very high	94	Very high	93 Å²	93	84.8 Å²	84.8	35%	0.351	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-75	-16.6	177.9	-67.4	176.3	63.3	-169.1	0.8	112.8	V68 S69 S70 N74 L135 E137	V68-R72 HydrophobicContact CG1-CB 4.16Å; S69-R72 WeakPolarHBondContact O-CB 3.33Å; S69-R72 PolarHBondContact O-N 3.09Å; S70-R72 VanDerWaalsContact C-N 3.27Å; S70-R72 PolarHBondContact O-N 3.4Å; R72-N74 PolarHBondContact O-N 3.38Å; R72-L135 HydrophobicContact CB-CD1 3.55Å; R72-L135 HydrophobicContact CB-CG 4.4Å; R72-E137 IonicContact CZ-OE1 2.8Å; R72-E137 VanDerWaalsContact CZ-OE1 3.24Å; R72-E137 IonicContact CZ-OE2 3.9Å; R72-E137 IonicContact NE-OE1 2.93Å; R72-E137 PolarHBondContact NE-OE1 3.44Å; R72-E137 IonicContact NE-OE2 2.88Å; R72-E137 IonicContact NH2-OE1 3.23Å; R72-E137 PolarHBondContact NH2-OE1 2.71Å; R72-E137 IonicContact NH2-OE2 3.24Å; R72-E137 PolarHBondContact NH2-OE2 3.31Å
73	F	97	Very high	94	Very high	13 Å²	13	81.2 Å²	81.2	6%	0.057	41%	0.406	C	S	.	.			trans	-84.9	81.7	170.5	-62.7	-92.6	0	0	0	109	V68 S70 E71 A133 L135 K144 T161 L163	V68-F73 HydrophobicContact CB-CE2 4.27Å; V68-F73 HydrophobicContact CG1-CE2 4.21Å; S70-F73 PolarHBondContact O-N 3.43Å; E71-F73 VanDerWaalsContact C-N 3.25Å; E71-F73 PolarHBondContact O-N 3.12Å; F73-A133 HydrophobicContact CB-CB 3.75Å; F73-A133 WeakPolarHBondContact CD1-O 3.44Å; F73-A133 WeakPolarHBondContact O-CB 3.34Å; F73-L135 HydrophobicContact CD1-CB 3.61Å; F73-L135 HydrophobicContact CE1-CB 3.74Å; F73-L135 HydrophobicContact CE2-CD1 4.35Å; F73-L135 HydrophobicContact CG-CB 4.12Å; F73-L135 HydrophobicContact CZ-CB 4.35Å; F73-L135 HydrophobicContact CZ-CD1 4.34Å; F73-K144 HydrophobicContact CD1-CB 3.77Å; F73-K144 HydrophobicContact CD2-CB 4.41Å; F73-K144 HydrophobicContact CD2-CD 4.37Å; F73-K144 HydrophobicContact CE1-CB 3.94Å; F73-K144 HydrophobicContact CG-CB 4.02Å; F73-K144 HydrophobicContact CZ-CB 4.32Å; F73-T161 HydrophobicContact CE1-CG2 4.01Å; F73-T161 HydrophobicContact CE2-CG2 4.29Å; F73-T161 HydrophobicContact CZ-CG2 3.45Å; F73-T161 VanDerWaalsContact CZ-CG2 3.45Å; F73-L163 HydrophobicContact CE1-CD2 4.32Å; F73-L163 HydrophobicContact CZ-CD2 3.87Å
74	N	93.7	Very high	94	Very high	113 Å²	113	82.1 Å²	82.1	60%	0.604	40%	0.4	S	S	*	.			trans	-108	-15	-169.6	60.1	-0	0	0	0	113.8	R72 K76 V134	R72-N74 PolarHBondContact O-N 3.38Å; N74-K76 PolarHBondContact O-N 2.83Å; N74-V134 PolarHBondContact N-O 2.8Å
75	N	95.1	Very high	93.8	Very high	50 Å²	50	80.5 Å²	80.5	27%	0.267	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.3	179.6	-65.1	-33.1	0	0	0	109.7	Y81 A133 V134	N75-Y81 HydrophobicContact CB-CE2 3.89Å; N75-Y81 PolarHBondContact ND2-OH 3.07Å; N75-A133 CarbonylContact O-C 3.49Å; N75-A133 WeakPolarHBondContact O-CA 3.5Å; N75-V134 HydrophobicContact CB-CB 4.03Å; N75-V134 WeakPolarHBondContact CB-O 2.98Å; N75-V134 PolarHBondContact N-O 3.45Å; N75-V134 PolarHBondContact O-N 3.16Å
76	K	90.8	Very high	93.7	Very high	178 Å²	178	81.9 Å²	81.9	77%	0.774	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	147.1	173.4	-66.4	-170.2	175.2	-168.6	0	110.8	N74	N74-K76 PolarHBondContact O-N 2.83Å
77	I	90.6	Very high	93.8	Very high	20 Å²	20	79.8 Å²	79.8	10%	0.103	38%	0.382	C	S	.	.			trans	-111.4	145.9	176.6	-44.4	-176.1	0	0	0	109.4	Y81 F101 T132 V134	I77-Y81 HydrophobicContact CG1-CD2 4.48Å; I77-Y81 HydrophobicContact CG1-CG 4.44Å; I77-F101 HydrophobicContact CD1-CB 3.82Å; I77-T132 HydrophobicContact CD1-CG2 3.5Å; I77-T132 HydrophobicContact CG1-CG2 4.29Å; I77-V134 HydrophobicContact CD1-CG2 3.31Å; I77-V134 HydrophobicContact CG1-CG2 3.65Å
78	D	86.4	Confident	93.7	Very high	145 Å²	145	81.3 Å²	81.3	78%	0.775	39%	0.394	S	S	*	.	S	Bend	trans	-121.5	112.8	160.2	179.6	15.6	0	0	0	105.8	R80	D78-R80 PolarHBondContact O-N 3.28Å
79	F	91.6	Very high	93.7	Very high	146 Å²	146	81.2 Å²	81.2	64%	0.64	39%	0.393	S	S	*	.	S	Bend	trans	64.3	-57.4	-173.9	-175	-102.6	0	0	0	116.7	E103	F79-E103 WeakPolarHBondContact CA-OE2 3.3Å; F79-E103 PolarHBondContact N-OE2 2.93Å; F79-E103 PolarHBondContact O-N 3.47Å
80	R	94.3	Very high	93.6	Very high	93 Å²	93	80.3 Å²	80.3	35%	0.351	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.2	-174.7	-173.6	176.6	75.6	161	-5	113.3	D78 E82 D100 F101	D78-R80 PolarHBondContact O-N 3.28Å; R80-E82 IonicContact CZ-OE1 2.7Å; R80-E82 VanDerWaalsContact CZ-OE1 3.31Å; R80-E82 IonicContact NE-OE1 2.7Å; R80-E82 IonicContact NH2-OE1 3.12Å; R80-E82 PolarHBondContact NH2-OE1 3.24Å; R80-D100 WeakPolarHBondContact CD-OD2 3.37Å; R80-D100 HydrophobicContact CG-CB 4.31Å; R80-D100 IonicContact CZ-OD2 3.31Å; R80-D100 IonicContact NE-OD2 3.71Å; R80-D100 IonicContact NH1-OD2 2.62Å; R80-D100 PolarHBondContact NH1-OD2 2.72Å; R80-F101 CarbonylContact C-O 3.6Å; R80-F101 VanDerWaalsContact CA-O 3.31Å; R80-F101 WeakPolarHBondContact CA-O 3.21Å
81	Y	96.6	Very high	93.7	Very high	53 Å²	53	78.2 Å²	78.2	21%	0.208	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.7	170.5	-172.5	-78.6	0	0	0	110.7	N75 I77 A83 D100 F101 V134 E136	N75-Y81 HydrophobicContact CB-CE2 3.89Å; N75-Y81 PolarHBondContact ND2-OH 3.07Å; I77-Y81 HydrophobicContact CG1-CD2 4.48Å; I77-Y81 HydrophobicContact CG1-CG 4.44Å; Y81-A83 HydrophobicContact CD1-CB 4.17Å; Y81-A83 HydrophobicContact CE1-CB 4Å; Y81-D100 WeakPolarHBondContact O-CA 3.32Å; Y81-F101 HydrophobicContact CD1-CD2 4.24Å; Y81-F101 PolarHBondContact N-O 3.05Å; Y81-F101 PolarHBondContact O-N 3.23Å; Y81-V134 HydrophobicContact CD1-CB 4.35Å; Y81-V134 HydrophobicContact CD1-CG1 4.01Å; Y81-V134 HydrophobicContact CD1-CG2 4.03Å; Y81-V134 HydrophobicContact CD2-CG2 4.34Å; Y81-V134 HydrophobicContact CE1-CB 4.47Å; Y81-V134 HydrophobicContact CE1-CG1 3.95Å; Y81-V134 HydrophobicContact CG-CB 4.47Å; Y81-V134 HydrophobicContact CG-CG2 3.88Å; Y81-E136 WeakPolarHBondContact CE1-OE2 3.47Å; Y81-E136 PolarHBondContact OH-OE2 3.16Å
82	E	95.6	Very high	93.7	Very high	90 Å²	90	70.5 Å²	70.5	42%	0.421	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115	177.1	-61.4	174	-163.3	0	0	109.5	R80 D100	R80-E82 IonicContact CZ-OE1 2.7Å; R80-E82 VanDerWaalsContact CZ-OE1 3.31Å; R80-E82 IonicContact NE-OE1 2.7Å; R80-E82 IonicContact NH2-OE1 3.12Å; R80-E82 PolarHBondContact NH2-OE1 3.24Å; E82-D100 WeakPolarHBondContact CG-OD1 3.5Å
83	A	95.9	Very high	93.4	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	144.3	177.2	0	0	0	0	0	111.3	Y81 I99 F101 L141	Y81-A83 HydrophobicContact CD1-CB 4.17Å; Y81-A83 HydrophobicContact CE1-CB 4Å; A83-I99 PolarHBondContact N-O 3.36Å; A83-I99 PolarHBondContact O-N 2.82Å; A83-F101 HydrophobicContact CB-CD2 4.36Å; A83-F101 HydrophobicContact CB-CE2 3.88Å; A83-L141 HydrophobicContact CB-CD1 3.82Å; A83-L141 HydrophobicContact CB-CD2 4.1Å
84	R	95.3	Very high	93.1	Very high	147 Å²	147	69.6 Å²	69.6	56%	0.555	35%	0.352	S	S	*	.			trans	-119.3	104.4	172.8	-68.9	-170.5	-177.8	83	7	109.1	Q86 E98 E136	R84-Q86 PolarHBondContact O-N 3Å; R84-E98 IonicContact CZ-OE2 3.24Å; R84-E98 VanDerWaalsContact CZ-OE2 3.24Å; R84-E98 IonicContact NE-OE2 3.4Å; R84-E98 PolarHBondContact NE-OE2 3.14Å; R84-E98 IonicContact NH2-OE2 2.64Å; R84-E98 PolarHBondContact NH2-OE2 3.28Å; R84-E136 PolarHBondContact N-OE1 2.9Å
85	P	94.3	Very high	93.1	Very high	25 Å²	25	68.3 Å²	68.3	16%	0.162	34%	0.342	C	S	.	.			trans	-51.4	129.7	-179.2	-26.6	33.5	0	0	0	112.2	F87 I89 I99 L141	P85-F87 HydrophobicContact CB-CD2 4.48Å; P85-F87 HydrophobicContact CB-CE2 4.43Å; P85-F87 WeakPolarHBondContact CB-O 3.35Å; P85-F87 PolarHBondContact O-N 3.36Å; P85-I89 HydrophobicContact CB-CG2 4.05Å; P85-I89 HydrophobicContact CG-CG2 3.84Å; P85-I99 HydrophobicContact CG-CD1 3.66Å; P85-I99 HydrophobicContact CG-CG1 4.2Å; P85-L141 HydrophobicContact CB-CD2 4.43Å; P85-L141 HydrophobicContact CG-CD2 3.81Å
86	Q	93	Very high	93.1	Very high	133 Å²	133	66.1 Å²	66.1	62%	0.621	33%	0.33	S	S	*	.	S	Bend	trans	-80.7	6.7	174.4	-61.5	-176.8	26.5	0	0	112.8	R84	R84-Q86 PolarHBondContact O-N 3Å
87	F	94.2	Very high	93.3	Very high	25 Å²	25	62.1 Å²	62.1	11%	0.11	31%	0.314	C	S	.	.	S	Bend	trans	-133.8	155.1	178.8	52.4	-92.1	0	0	0	109.4	P85 I89 K138 L141 P166	P85-F87 HydrophobicContact CB-CD2 4.48Å; P85-F87 HydrophobicContact CB-CE2 4.43Å; P85-F87 WeakPolarHBondContact CB-O 3.35Å; P85-F87 PolarHBondContact O-N 3.36Å; F87-I89 HydrophobicContact CD2-CB 4.32Å; F87-I89 HydrophobicContact CE2-CB 4.21Å; F87-I89 HydrophobicContact CE2-CD1 4.48Å; F87-I89 PolarHBondContact O-N 2.95Å; F87-K138 VanDerWaalsContact CD1-O 3.28Å; F87-K138 WeakPolarHBondContact CD1-O 3.31Å; F87-L141 HydrophobicContact CE1-CB 4.21Å; F87-L141 HydrophobicContact CZ-CB 3.92Å; F87-P166 HydrophobicContact CB-CB 4.09Å; F87-P166 HydrophobicContact CB-CG 4.24Å; F87-P166 HydrophobicContact CD1-CG 4.24Å; F87-P166 HydrophobicContact CD2-CB 4.16Å; F87-P166 HydrophobicContact CD2-CG 4.19Å; F87-P166 HydrophobicContact CG-CB 4.15Å; F87-P166 HydrophobicContact CG-CG 3.97Å
88	S	91.1	Very high	93.6	Very high	95 Å²	95	62.8 Å²	62.8	66%	0.664	32%	0.317	S	S	*	.			trans	-74.5	118.4	178.1	-64.5	0	0	0	0	110.5
89	I	93.8	Very high	94.1	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.046	28%	0.28	C	S	.	.			trans	-121.7	150.2	171.4	-174.8	169.2	0	0	0	110.1	P85 F87 H95 V96 M164	P85-I89 HydrophobicContact CB-CG2 4.05Å; P85-I89 HydrophobicContact CG-CG2 3.84Å; F87-I89 HydrophobicContact CD2-CB 4.32Å; F87-I89 HydrophobicContact CE2-CB 4.21Å; F87-I89 HydrophobicContact CE2-CD1 4.48Å; F87-I89 PolarHBondContact O-N 2.95Å; I89-H95 PolarHBondContact O-ND1 3.12Å; I89-H95 VanDerWaalsContact O-ND1 3.17Å; I89-V96 HydrophobicContact CG2-CB 3.7Å; I89-V96 HydrophobicContact CG2-CG1 4.23Å; I89-V96 HydrophobicContact CG2-CG2 4.06Å; I89-V96 PolarHBondContact O-N 3.26Å; I89-M164 HydrophobicContact CD1-CB 3.8Å; I89-M164 HydrophobicContact CD1-CG 3.97Å; I89-M164 HydrophobicContact CD1-SD 4.19Å
90	S	92.8	Very high	94.4	Very high	40 Å²	40	49 Å²	49	28%	0.28	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.2	173.6	60.8	0	0	0	0	110.6	S94	S90-S94 CarbonylContact C-O 3.57Å; S90-S94 WeakPolarHBondContact CA-O 3.14Å; S90-S94 WeakPolarHBondContact CB-O 3.46Å
91	F	95.2	Very high	94.5	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.022	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.7	176.8	-165.4	-99	0	0	0	109.2	Y56 G93 S94 V96 Y110 I117 T120 L170 I190 V191	Y56-F91 WeakPolarHBondContact OH-CA 3.03Å; F91-G93 PolarHBondContact O-N 3.21Å; F91-G93 VanDerWaalsContact O-N 3.16Å; F91-S94 PolarHBondContact N-O 2.04Å; F91-S94 PolarHBondContact O-N 2.94Å; F91-V96 HydrophobicContact CB-CG2 3.76Å; F91-Y110 HydrophobicContact CB-CD1 4.16Å; F91-Y110 HydrophobicContact CB-CG 4.3Å; F91-Y110 HydrophobicContact CD1-CD2 4.25Å; F91-Y110 HydrophobicContact CD1-CG 4.22Å; F91-Y110 HydrophobicContact CD2-CD1 4.05Å; F91-Y110 HydrophobicContact CD2-CD2 4.14Å; F91-Y110 AromaticContact CD2-CE1 3.94Å; F91-Y110 HydrophobicContact CD2-CE1 3.94Å; F91-Y110 HydrophobicContact CD2-CE2 4.08Å; F91-Y110 HydrophobicContact CD2-CG 4.14Å; F91-Y110 AromaticContact CD2-CZ 3.95Å; F91-Y110 HydrophobicContact CE1-CD2 4.2Å; F91-Y110 HydrophobicContact CE2-CD2 4.09Å; F91-Y110 HydrophobicContact CE2-CE1 4.39Å; F91-Y110 AromaticContact CE2-CE2 3.8Å; F91-Y110 HydrophobicContact CE2-CE2 3.8Å; F91-Y110 AromaticContact CE2-CZ 3.93Å; F91-Y110 HydrophobicContact CG-CD1 4.1Å; F91-Y110 HydrophobicContact CG-CD2 4.22Å; F91-Y110 HydrophobicContact CG-CE1 4.45Å; F91-Y110 AromaticContact CG-CG 3.96Å; F91-Y110 HydrophobicContact CG-CG 3.96Å; F91-Y110 HydrophobicContact CZ-CD2 4.12Å; F91-Y110 HydrophobicContact CZ-CE2 4.09Å; F91-I117 HydrophobicContact CB-CD1 4.22Å; F91-T120 HydrophobicContact CE2-CG2 3.98Å; F91-T120 HydrophobicContact CZ-CG2 4.2Å; F91-L170 HydrophobicContact CE2-CD2 4.36Å; F91-I190 HydrophobicContact CZ-CB 4.27Å; F91-V191 WeakPolarHBondContact CE1-O 3.42Å
92	Y	93.6	Very high	94.5	Very high	8 Å²	8	44 Å²	44	3%	0.031	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	43.7	-171.5	-76.7	-88	0	0	0	113.6	Y55 Y56 S94 I190 G192 P203	Y55-Y92 HydrophobicContact CG-CD1 4.11Å; Y56-Y92 HydrophobicContact CD2-CD1 4.42Å; Y56-Y92 HydrophobicContact CD2-CE1 4.03Å; Y56-Y92 HydrophobicContact CD2-CE2 4.32Å; Y56-Y92 AromaticContact CD2-CZ 4Å; Y56-Y92 AromaticContact CE2-CD1 3.95Å; Y56-Y92 HydrophobicContact CE2-CD1 3.95Å; Y56-Y92 AromaticContact CE2-CD2 3.76Å; Y56-Y92 HydrophobicContact CE2-CD2 3.76Å; Y56-Y92 AromaticContact CE2-CE1 3.93Å; Y56-Y92 HydrophobicContact CE2-CE1 3.93Å; Y56-Y92 AromaticContact CE2-CE2 3.73Å; Y56-Y92 HydrophobicContact CE2-CE2 3.73Å; Y56-Y92 AromaticContact CE2-CG 3.89Å; Y56-Y92 HydrophobicContact CE2-CG 3.89Å; Y56-Y92 AromaticContact CE2-CZ 3.84Å; Y56-Y92 PolarHBondContact OH-N 3.34Å; Y92-S94 VanDerWaalsContact C-N 3.25Å; Y92-S94 PolarHBondContact O-N 2.81Å; Y92-I190 HydrophobicContact CE2-CD1 4.03Å; Y92-I190 HydrophobicContact CE2-CG1 4.16Å; Y92-G192 VanDerWaalsContact CE2-N 3.25Å; Y92-P203 HydrophobicContact CD1-CB 4.28Å; Y92-P203 HydrophobicContact CD1-CG 3.63Å; Y92-P203 HydrophobicContact CE1-CB 3.66Å; Y92-P203 HydrophobicContact CE1-CG 3.47Å; Y92-P203 VanDerWaalsContact CE1-CG 3.47Å; Y92-P203 HydrophobicContact CG-CG 4.37Å; Y92-P203 PolarHBondContact OH-O 3.37Å
93	G	90.2	Very high	94.4	Very high	42 Å²	42	42.1 Å²	42.1	43%	0.433	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-1.2	178.4	0	0	0	0	0	115.9	Y55 F91	Y55-G93 VanDerWaalsContact CE1-N 3.27Å; Y55-G93 WeakPolarHBondContact OH-CA 3.5Å; Y55-G93 PolarHBondContact OH-N 3.14Å; F91-G93 PolarHBondContact O-N 3.21Å; F91-G93 VanDerWaalsContact O-N 3.16Å
94	S	91.7	Very high	94.2	Very high	45 Å²	45	45.4 Å²	45.4	32%	0.315	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.4	173.1	-61.9	0	0	0	0	110.3	S90 F91 Y92	S90-S94 CarbonylContact C-O 3.57Å; S90-S94 WeakPolarHBondContact CA-O 3.14Å; S90-S94 WeakPolarHBondContact CB-O 3.46Å; F91-S94 PolarHBondContact N-O 2.04Å; F91-S94 PolarHBondContact O-N 2.94Å; Y92-S94 VanDerWaalsContact C-N 3.25Å; Y92-S94 PolarHBondContact O-N 2.81Å
95	H	93.1	Very high	93.9	Very high	86 Å²	86	42.3 Å²	42.3	40%	0.398	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	139.7	172.6	-179.3	52	0	0	0	110.1	I89 F112	I89-H95 PolarHBondContact O-ND1 3.12Å; I89-H95 VanDerWaalsContact O-ND1 3.17Å; H95-F112 HydrophobicContact CB-CD2 4.21Å; H95-F112 HydrophobicContact CB-CE2 4.27Å; H95-F112 VanDerWaalsContact O-CB 3.31Å; H95-F112 WeakPolarHBondContact O-CB 3.49Å; H95-F112 WeakPolarHBondContact O-CD2 3.38Å; H95-F112 WeakPolarHBondContact O-CG 3.43Å
96	V	95.4	Very high	93.9	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-101.3	125.1	177.9	-177.4	0	0	0	0	108.8	I89 F91 E98 I99 Y110 I117	I89-V96 HydrophobicContact CG2-CB 3.7Å; I89-V96 HydrophobicContact CG2-CG1 4.23Å; I89-V96 HydrophobicContact CG2-CG2 4.06Å; I89-V96 PolarHBondContact O-N 3.26Å; F91-V96 HydrophobicContact CB-CG2 3.76Å; V96-E98 WeakPolarHBondContact CG1-O 3.27Å; V96-I99 HydrophobicContact CG1-CD1 3.86Å; V96-I99 HydrophobicContact CG1-CG1 3.44Å; V96-I99 VanDerWaalsContact CG1-CG1 3.44Å; V96-Y110 HydrophobicContact CG1-CD1 4.02Å; V96-Y110 HydrophobicContact CG2-CD1 3.91Å; V96-I117 HydrophobicContact CG2-CD1 3.95Å
97	E	95.5	Very high	94.1	Very high	93 Å²	93	36 Å²	36	44%	0.435	21%	0.205	S	C	.	.	S	Bend	trans	-100.4	-32.9	174.7	-74.1	174.7	168.7	0	0	111.9	E111 F112 G113	E97-E111 PolarHBondContact N-O 3.22Å; E97-F112 HydrophobicContact CG-CD2 3.83Å; E97-F112 HydrophobicContact CG-CE2 4.15Å; E97-F112 VanDerWaalsContact OE1-CE2 3.3Å; E97-F112 WeakPolarHBondContact OE1-CE2 3.47Å; E97-G113 WeakPolarHBondContact OE2-CA 3.1Å; E97-G113 PolarHBondContact OE2-N 3.02Å
98	E	96.4	Very high	94.3	Very high	35 Å²	35	34.8 Å²	34.8	16%	0.164	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.5	-175	-175.4	166.1	94.7	0	0	110.1	R84 V96 E111	R84-E98 IonicContact CZ-OE2 3.24Å; R84-E98 VanDerWaalsContact CZ-OE2 3.24Å; R84-E98 IonicContact NE-OE2 3.4Å; R84-E98 PolarHBondContact NE-OE2 3.14Å; R84-E98 IonicContact NH2-OE2 2.64Å; R84-E98 PolarHBondContact NH2-OE2 3.28Å; V96-E98 WeakPolarHBondContact CG1-O 3.27Å; E98-E111 HydrophobicContact CB-CB 4.32Å; E98-E111 PolarHBondContact N-O 2.9Å; E98-E111 PolarHBondContact O-N 2.83Å
99	I	97.1	Very high	94.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.5	179.6	-64.2	179.2	0	0	0	108.3	A83 P85 V96 F101 T108 A109 Y110 L141 M164	A83-I99 PolarHBondContact N-O 3.36Å; A83-I99 PolarHBondContact O-N 2.82Å; P85-I99 HydrophobicContact CG-CD1 3.66Å; P85-I99 HydrophobicContact CG-CG1 4.2Å; V96-I99 HydrophobicContact CG1-CD1 3.86Å; V96-I99 HydrophobicContact CG1-CG1 3.44Å; V96-I99 VanDerWaalsContact CG1-CG1 3.44Å; I99-F101 HydrophobicContact CG2-CD2 4.38Å; I99-F101 HydrophobicContact CG2-CE1 4.13Å; I99-F101 HydrophobicContact CG2-CE2 3.88Å; I99-F101 HydrophobicContact CG2-CZ 3.74Å; I99-T108 HydrophobicContact CG2-CG2 3.33Å; I99-A109 WeakPolarHBondContact CA-O 3.39Å; I99-Y110 HydrophobicContact CD1-CD1 4.05Å; I99-Y110 HydrophobicContact CD1-CE1 3.9Å; I99-Y110 HydrophobicContact CG1-CD1 3.99Å; I99-Y110 HydrophobicContact CG1-CE1 4.26Å; I99-L141 HydrophobicContact CB-CD2 4.49Å; I99-L141 HydrophobicContact CD1-CD2 3.69Å; I99-M164 HydrophobicContact CD1-CE 4.41Å; I99-M164 HydrophobicContact CD1-SD 3.52Å; I99-M164 VanDerWaalsContact CD1-SD 3.52Å; I99-M164 HydrophobicContact CG2-CE 4.29Å
100	D	96.5	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115	179.1	-79.9	-0.9	0	0	0	109.6	R80 Y81 E82 T108 A109	R80-D100 WeakPolarHBondContact CD-OD2 3.37Å; R80-D100 HydrophobicContact CG-CB 4.31Å; R80-D100 IonicContact CZ-OD2 3.31Å; R80-D100 IonicContact NE-OD2 3.71Å; R80-D100 IonicContact NH1-OD2 2.62Å; R80-D100 PolarHBondContact NH1-OD2 2.72Å; Y81-D100 WeakPolarHBondContact O-CA 3.32Å; E82-D100 WeakPolarHBondContact CG-OD1 3.5Å; D100-T108 CarbonylContact O-C 3.4Å; D100-T108 VanDerWaalsContact O-CA 3.29Å; D100-T108 WeakPolarHBondContact O-CA 3.19Å; D100-A109 HydrophobicContact CB-CB 4.18Å; D100-A109 PolarHBondContact N-O 3.44Å; D100-A109 PolarHBondContact O-N 2.99Å
101	F	97.6	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.3	169.2	-60.3	-75.7	0	0	0	109.3	I77 R80 Y81 A83 I99 T108 V134 L141 A143 W145 M164	I77-F101 HydrophobicContact CD1-CB 3.82Å; R80-F101 CarbonylContact C-O 3.6Å; R80-F101 VanDerWaalsContact CA-O 3.31Å; R80-F101 WeakPolarHBondContact CA-O 3.21Å; Y81-F101 HydrophobicContact CD1-CD2 4.24Å; Y81-F101 PolarHBondContact N-O 3.05Å; Y81-F101 PolarHBondContact O-N 3.23Å; A83-F101 HydrophobicContact CB-CD2 4.36Å; A83-F101 HydrophobicContact CB-CE2 3.88Å; I99-F101 HydrophobicContact CG2-CD2 4.38Å; I99-F101 HydrophobicContact CG2-CE1 4.13Å; I99-F101 HydrophobicContact CG2-CE2 3.88Å; I99-F101 HydrophobicContact CG2-CZ 3.74Å; F101-T108 HydrophobicContact CD1-CG2 3.69Å; F101-T108 WeakPolarHBondContact CD1-OG1 3.46Å; F101-T108 HydrophobicContact CE1-CG2 3.53Å; F101-T108 HydrophobicContact CZ-CG2 4.3Å; F101-V134 HydrophobicContact CB-CG2 4.21Å; F101-V134 HydrophobicContact CD2-CG1 3.93Å; F101-V134 HydrophobicContact CD2-CG2 3.95Å; F101-V134 HydrophobicContact CE2-CG1 3.85Å; F101-V134 HydrophobicContact CG-CG2 4.18Å; F101-L141 HydrophobicContact CE2-CD1 3.99Å; F101-L141 HydrophobicContact CE2-CD2 4.47Å; F101-L141 HydrophobicContact CE2-CG 4.17Å; F101-L141 HydrophobicContact CZ-CD1 4.26Å; F101-L141 HydrophobicContact CZ-CD2 4.4Å; F101-L141 HydrophobicContact CZ-CG 3.99Å; F101-A143 HydrophobicContact CB-CB 4.37Å; F101-A143 HydrophobicContact CD1-CB 3.35Å; F101-A143 HydrophobicContact CE1-CB 3.67Å; F101-A143 HydrophobicContact CG-CB 3.88Å; F101-A143 HydrophobicContact CZ-CB 4.44Å; F101-W145 HydrophobicContact CD1-CH2 4.08Å; F101-W145 HydrophobicContact CD1-CZ2 4.27Å; F101-M164 HydrophobicContact CE1-CE 3.68Å; F101-M164 HydrophobicContact CZ-CE 3.75Å
102	H	96.4	Very high	94.8	Very high	43 Å²	43	32.7 Å²	32.7	20%	0.199	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	141	174.6	-66	-86.5	0	0	0	110.4	D104 N107 W145	H102-D104 PolarHBondContact O-N 3.22Å; H102-N107 HydrophobicContact CB-CB 4.24Å; H102-N107 PolarHBondContact CD2-ND2 2.85Å; H102-N107 PolarHBondContact N-O 2.92Å; H102-W145 PolarHBondContact O-NE1 3.4Å
103	E	93.8	Very high	94.6	Very high	50 Å²	50	34.5 Å²	34.5	23%	0.234	20%	0.195	C	C	.	.	S	Bend	trans	-57.9	-42.4	175.7	-178.6	178.9	-172.6	0	0	110.8	F79 S130 T132	F79-E103 WeakPolarHBondContact CA-OE2 3.3Å; F79-E103 PolarHBondContact N-OE2 2.93Å; F79-E103 PolarHBondContact O-N 3.47Å; E103-S130 PolarHBondContact O-OG 3.15Å; E103-T132 PolarHBondContact O-OG1 3.3Å
104	D	90.5	Very high	94.4	Very high	69 Å²	69	43.8 Å²	43.8	37%	0.369	22%	0.217	S	C	.	.	S	Bend	trans	-99	161.2	-176.7	-72.9	-32.3	0	0	0	113.4	H102 G106 Y127 S130	H102-D104 PolarHBondContact O-N 3.22Å; D104-G106 PolarHBondContact O-N 2.94Å; D104-Y127 WeakPolarHBondContact CB-OH 3.28Å; D104-S130 PolarHBondContact OD1-OG 2.84Å
105	D	90.2	Very high	94.4	Very high	81 Å²	81	43.4 Å²	43.4	43%	0.433	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	15.3	172	-56.3	-31.5	0	0	0	116.1	N107 Y123 Y127	D105-N107 PolarHBondContact O-N 3.37Å; D105-Y123 VanDerWaalsContact C-CB 3.43Å; D105-Y123 VanDerWaalsContact O-CB 3.27Å; D105-Y123 WeakPolarHBondContact O-CB 3.16Å; D105-Y123 WeakPolarHBondContact O-CD1 3.37Å; D105-Y123 VanDerWaalsContact O-CG 3.28Å; D105-Y127 PolarHBondContact N-OH 3.01Å; D105-Y127 WeakPolarHBondContact OD1-CE1 3.48Å; D105-Y127 PolarHBondContact OD1-OH 3.17Å
106	G	93.8	Very high	94.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	26.9	178.7	0	0	0	0	0	113	D104 N122	D104-G106 PolarHBondContact O-N 2.94Å; G106-N122 PolarHBondContact O-N 3.47Å
107	N	97.2	Very high	94.5	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.139	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.3	-171	177.8	21.4	0	0	0	110.3	H102 D105 N119 T120 Y121	H102-N107 HydrophobicContact CB-CB 4.24Å; H102-N107 PolarHBondContact CD2-ND2 2.85Å; H102-N107 PolarHBondContact N-O 2.92Å; D105-N107 PolarHBondContact O-N 3.37Å; N107-N119 PolarHBondContact OD1-ND2 3.14Å; N107-T120 WeakPolarHBondContact CA-O 3.48Å; N107-Y121 HydrophobicContact CB-CD1 4.16Å; N107-Y121 HydrophobicContact CB-CE1 4.15Å
108	T	97.8	Very high	94.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.3	167.2	-52	0	0	0	0	108.5	I99 D100 F101 Y110 N119 T120 W145 M164	I99-T108 HydrophobicContact CG2-CG2 3.33Å; D100-T108 CarbonylContact O-C 3.4Å; D100-T108 VanDerWaalsContact O-CA 3.29Å; D100-T108 WeakPolarHBondContact O-CA 3.19Å; F101-T108 HydrophobicContact CD1-CG2 3.69Å; F101-T108 WeakPolarHBondContact CD1-OG1 3.46Å; F101-T108 HydrophobicContact CE1-CG2 3.53Å; F101-T108 HydrophobicContact CZ-CG2 4.3Å; T108-Y110 HydrophobicContact CG2-CE2 3.98Å; T108-Y110 WeakPolarHBondContact O-CE2 3.38Å; T108-N119 CarbonylContact O-C 3.47Å; T108-N119 WeakPolarHBondContact O-CA 2.96Å; T108-T120 VanDerWaalsContact CB-OG1 3.3Å; T108-T120 WeakPolarHBondContact CB-OG1 2.96Å; T108-T120 PolarHBondContact N-O 2.98Å; T108-T120 PolarHBondContact O-N 3.37Å; T108-W145 WeakPolarHBondContact OG1-CH2 3.43Å; T108-M164 HydrophobicContact CG2-CE 3.83Å
109	A	97.4	Very high	94.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	141.7	176.8	0	0	0	0	0	110.9	I99 D100 Y116 N119	I99-A109 WeakPolarHBondContact CA-O 3.39Å; D100-A109 HydrophobicContact CB-CB 4.18Å; D100-A109 PolarHBondContact N-O 3.44Å; D100-A109 PolarHBondContact O-N 2.99Å; A109-Y116 HydrophobicContact CB-CD1 4.29Å; A109-Y116 HydrophobicContact CB-CE1 4.18Å; A109-N119 WeakPolarHBondContact CA-ND2 3.46Å; A109-N119 WeakPolarHBondContact CB-ND2 3.24Å
110	Y	97.2	Very high	94.7	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.6	-179.7	-62.2	-98.9	0	0	0	109.5	F91 V96 I99 T108 I117 G118 T120 M164	F91-Y110 HydrophobicContact CB-CD1 4.16Å; F91-Y110 HydrophobicContact CB-CG 4.3Å; F91-Y110 HydrophobicContact CD1-CD2 4.25Å; F91-Y110 HydrophobicContact CD1-CG 4.22Å; F91-Y110 HydrophobicContact CD2-CD1 4.05Å; F91-Y110 HydrophobicContact CD2-CD2 4.14Å; F91-Y110 AromaticContact CD2-CE1 3.94Å; F91-Y110 HydrophobicContact CD2-CE1 3.94Å; F91-Y110 HydrophobicContact CD2-CE2 4.08Å; F91-Y110 HydrophobicContact CD2-CG 4.14Å; F91-Y110 AromaticContact CD2-CZ 3.95Å; F91-Y110 HydrophobicContact CE1-CD2 4.2Å; F91-Y110 HydrophobicContact CE2-CD2 4.09Å; F91-Y110 HydrophobicContact CE2-CE1 4.39Å; F91-Y110 AromaticContact CE2-CE2 3.8Å; F91-Y110 HydrophobicContact CE2-CE2 3.8Å; F91-Y110 AromaticContact CE2-CZ 3.93Å; F91-Y110 HydrophobicContact CG-CD1 4.1Å; F91-Y110 HydrophobicContact CG-CD2 4.22Å; F91-Y110 HydrophobicContact CG-CE1 4.45Å; F91-Y110 AromaticContact CG-CG 3.96Å; F91-Y110 HydrophobicContact CG-CG 3.96Å; F91-Y110 HydrophobicContact CZ-CD2 4.12Å; F91-Y110 HydrophobicContact CZ-CE2 4.09Å; V96-Y110 HydrophobicContact CG1-CD1 4.02Å; V96-Y110 HydrophobicContact CG2-CD1 3.91Å; I99-Y110 HydrophobicContact CD1-CD1 4.05Å; I99-Y110 HydrophobicContact CD1-CE1 3.9Å; I99-Y110 HydrophobicContact CG1-CD1 3.99Å; I99-Y110 HydrophobicContact CG1-CE1 4.26Å; T108-Y110 HydrophobicContact CG2-CE2 3.98Å; T108-Y110 WeakPolarHBondContact O-CE2 3.38Å; Y110-I117 VanDerWaalsContact O-CG1 3.24Å; Y110-I117 WeakPolarHBondContact O-CG1 3.48Å; Y110-I117 PolarHBondContact O-N 3.3Å; Y110-G118 PolarHBondContact N-O 3.16Å; Y110-T120 HydrophobicContact CE2-CG2 3.73Å; Y110-M164 HydrophobicContact CE1-CE 4.34Å; Y110-M164 HydrophobicContact CE1-SD 3.55Å; Y110-M164 VanDerWaalsContact CE1-SD 3.55Å; Y110-M164 WeakPolarHBondContact OH-CE 3.32Å; Y110-M164 PolarHBondContact OH-SD 3.28Å
111	E	96	Very high	94.8	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.5	-176.6	-62.6	-161.8	-163.4	0	0	113.7	E97 E98 S115 Y116	E97-E111 PolarHBondContact N-O 3.22Å; E98-E111 HydrophobicContact CB-CB 4.32Å; E98-E111 PolarHBondContact N-O 2.9Å; E98-E111 PolarHBondContact O-N 2.83Å; E111-S115 WeakPolarHBondContact CA-O 3.49Å; E111-Y116 HydrophobicContact CG-CD1 3.85Å; E111-Y116 HydrophobicContact CG-CE1 3.97Å; E111-Y116 WeakPolarHBondContact OE1-CE1 3.14Å; E111-Y116 PolarHBondContact OE1-OH 3.48Å
112	F	93.9	Very high	94.8	Very high	87 Å²	87	43.2 Å²	43.2	38%	0.382	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	121.7	170.6	178.9	-104.3	0	0	0	109.6	H95 E97 R114 S115 I117	H95-F112 HydrophobicContact CB-CD2 4.21Å; H95-F112 HydrophobicContact CB-CE2 4.27Å; H95-F112 VanDerWaalsContact O-CB 3.31Å; H95-F112 WeakPolarHBondContact O-CB 3.49Å; H95-F112 WeakPolarHBondContact O-CD2 3.38Å; H95-F112 WeakPolarHBondContact O-CG 3.43Å; E97-F112 HydrophobicContact CG-CD2 3.83Å; E97-F112 HydrophobicContact CG-CE2 4.15Å; E97-F112 VanDerWaalsContact OE1-CE2 3.3Å; E97-F112 WeakPolarHBondContact OE1-CE2 3.47Å; F112-R114 PolarHBondContact O-N 3.33Å; F112-S115 PolarHBondContact N-O 3.45Å; F112-S115 WeakPolarHBondContact O-CB 3.39Å; F112-S115 PolarHBondContact O-N 2.82Å; F112-I117 HydrophobicContact CB-CD1 4.37Å; F112-I117 HydrophobicContact CB-CG2 3.93Å
113	G	88.5	Confident	94.8	Very high	47 Å²	47	43 Å²	43	49%	0.485	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.8	178.4	0	0	0	0	0	113.8	E97 S115	E97-G113 WeakPolarHBondContact OE2-CA 3.1Å; E97-G113 PolarHBondContact OE2-N 3.02Å; G113-S115 PolarHBondContact O-N 3.41Å
114	R	85.9	Confident	94.9	Very high	236 Å²	236	40.6 Å²	40.6	89%	0.891	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	19.3	-174.2	-49	176.9	-179.8	171.1	-1.7	115	F112	F112-R114 PolarHBondContact O-N 3.33Å
115	S	92.4	Very high	95.1	Very high	37 Å²	37	41 Å²	41	26%	0.259	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.9	169.6	-72.8	0	0	0	0	109.8	E111 F112 G113 I117 R195	E111-S115 WeakPolarHBondContact CA-O 3.49Å; F112-S115 PolarHBondContact N-O 3.45Å; F112-S115 WeakPolarHBondContact O-CB 3.39Å; F112-S115 PolarHBondContact O-N 2.82Å; G113-S115 PolarHBondContact O-N 3.41Å; S115-I117 PolarHBondContact O-N 2.81Å; S115-R195 PolarHBondContact OG-NH2 3.32Å; S115-R195 VanDerWaalsContact OG-NH2 3.14Å
116	Y	94.3	Very high	95.2	Very high	121 Å²	121	43.2 Å²	43.2	48%	0.475	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	127.8	164.6	-64.7	-69.8	0	0	0	110.7	A109 E111	A109-Y116 HydrophobicContact CB-CD1 4.29Å; A109-Y116 HydrophobicContact CB-CE1 4.18Å; E111-Y116 HydrophobicContact CG-CD1 3.85Å; E111-Y116 HydrophobicContact CG-CE1 3.97Å; E111-Y116 WeakPolarHBondContact OE1-CE1 3.14Å; E111-Y116 PolarHBondContact OE1-OH 3.48Å
117	I	95.4	Very high	95.2	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-10	175.9	58.9	170.1	0	0	0	112.5	F91 V96 Y110 F112 S115 I193	F91-I117 HydrophobicContact CB-CD1 4.22Å; V96-I117 HydrophobicContact CG2-CD1 3.95Å; Y110-I117 VanDerWaalsContact O-CG1 3.24Å; Y110-I117 WeakPolarHBondContact O-CG1 3.48Å; Y110-I117 PolarHBondContact O-N 3.3Å; F112-I117 HydrophobicContact CB-CD1 4.37Å; F112-I117 HydrophobicContact CB-CG2 3.93Å; S115-I117 PolarHBondContact O-N 2.81Å; I117-I193 PolarHBondContact O-N 3.02Å
118	G	97.4	Very high	95.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-173.8	171.5	0	0	0	0	0	113.6	Y110 V191	Y110-G118 PolarHBondContact N-O 3.16Å; G118-V191 CarbonylContact C-O 3.56Å; G118-V191 WeakPolarHBondContact CA-O 3.39Å
119	N	97.9	Very high	94.9	Very high	22 Å²	22	56.8 Å²	56.8	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.2	-177.1	-64.5	85.9	0	0	0	111.3	N107 T108 A109 Y121 V191	N107-N119 PolarHBondContact OD1-ND2 3.14Å; T108-N119 CarbonylContact O-C 3.47Å; T108-N119 WeakPolarHBondContact O-CA 2.96Å; A109-N119 WeakPolarHBondContact CA-ND2 3.46Å; A109-N119 WeakPolarHBondContact CB-ND2 3.24Å; N119-Y121 HydrophobicContact CB-CD2 4.25Å; N119-Y121 HydrophobicContact CB-CE2 3.49Å; N119-Y121 VanDerWaalsContact CB-CE2 3.49Å; N119-V191 PolarHBondContact N-O 3.19Å; N119-V191 PolarHBondContact O-N 2.83Å
120	T	98.3	Very high	94.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.3	154.7	63.8	0	0	0	0	109.9	F91 N107 T108 Y110 L170 F172 K189 I190	F91-T120 HydrophobicContact CE2-CG2 3.98Å; F91-T120 HydrophobicContact CZ-CG2 4.2Å; N107-T120 WeakPolarHBondContact CA-O 3.48Å; T108-T120 VanDerWaalsContact CB-OG1 3.3Å; T108-T120 WeakPolarHBondContact CB-OG1 2.96Å; T108-T120 PolarHBondContact N-O 2.98Å; T108-T120 PolarHBondContact O-N 3.37Å; Y110-T120 HydrophobicContact CE2-CG2 3.73Å; T120-L170 HydrophobicContact CG2-CD1 4.28Å; T120-L170 HydrophobicContact CG2-CD2 3.6Å; T120-F172 HydrophobicContact CG2-CE1 4.28Å; T120-F172 HydrophobicContact CG2-CZ 4.16Å; T120-K189 WeakPolarHBondContact CA-O 3.11Å; T120-I190 HydrophobicContact CG2-CB 4.12Å; T120-I190 HydrophobicContact CG2-CG2 3.67Å
121	Y	98.1	Very high	94.7	Very high	63 Å²	63	61.2 Å²	61.2	25%	0.247	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.9	172.6	-58.4	-88.2	0	0	0	107.5	N107 N119 S188 K189 V191	N107-Y121 HydrophobicContact CB-CD1 4.16Å; N107-Y121 HydrophobicContact CB-CE1 4.15Å; N119-Y121 HydrophobicContact CB-CD2 4.25Å; N119-Y121 HydrophobicContact CB-CE2 3.49Å; N119-Y121 VanDerWaalsContact CB-CE2 3.49Å; Y121-S188 CarbonylContact O-C 3.49Å; Y121-S188 VanDerWaalsContact O-CA 3.23Å; Y121-S188 WeakPolarHBondContact O-CA 3.36Å; Y121-K189 HydrophobicContact CD2-CD 4.48Å; Y121-K189 HydrophobicContact CD2-CG 3.95Å; Y121-K189 HydrophobicContact CG-CG 4.41Å; Y121-K189 PolarHBondContact N-O 3.24Å; Y121-K189 PolarHBondContact O-N 2.99Å; Y121-V191 HydrophobicContact CD2-CG2 4.3Å; Y121-V191 HydrophobicContact CE2-CG2 4.11Å
122	N	97.9	Very high	94.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	76.1	179.2	-166.8	19.6	0	0	0	109.5	G106 M160 T161 T162 F172 Y174 S188	G106-N122 PolarHBondContact O-N 3.47Å; N122-M160 WeakPolarHBondContact OD1-CE 3.09Å; N122-T161 PolarHBondContact ND2-O 2.79Å; N122-T162 PolarHBondContact ND2-OG1 3.31Å; N122-F172 HydrophobicContact CB-CD1 4.24Å; N122-F172 HydrophobicContact CB-CE1 4.22Å; N122-F172 HydrophobicContact CB-CZ 4.49Å; N122-Y174 WeakPolarHBondContact OD1-CE1 3.48Å; N122-S188 PolarHBondContact OD1-OG 2.64Å
123	Y	96.8	Very high	94.8	Very high	39 Å²	39	57.1 Å²	57.1	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	174.6	-165.3	79.1	-73.1	0	0	0	113.4	D105 E125 Q187	D105-Y123 VanDerWaalsContact C-CB 3.43Å; D105-Y123 VanDerWaalsContact O-CB 3.27Å; D105-Y123 WeakPolarHBondContact O-CB 3.16Å; D105-Y123 WeakPolarHBondContact O-CD1 3.37Å; D105-Y123 VanDerWaalsContact O-CG 3.28Å; Y123-E125 HydrophobicContact CE2-CG 3.68Å; Y123-E125 PolarHBondContact OH-OE1 2.62Å; Y123-Q187 HydrophobicContact CD1-CB 3.83Å; Y123-Q187 HydrophobicContact CE1-CB 3.4Å; Y123-Q187 VanDerWaalsContact CE1-CB 3.4Å; Y123-Q187 HydrophobicContact CE1-CG 4.17Å; Y123-Q187 PolarHBondContact N-O 3.4Å; Y123-Q187 PolarHBondContact O-N 2.87Å; Y123-Q187 VanDerWaalsContact O-O 3.1Å
124	I	95.5	Very high	95.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.1	175.8	-69.9	168.6	0	0	0	108.6	Y127 F147 I149 A158 M160 I177 I181 R185 L186	I124-Y127 WeakPolarHBondContact O-CD1 3.38Å; I124-F147 HydrophobicContact CD1-CD2 4.44Å; I124-I149 HydrophobicContact CG2-CD1 4.44Å; I124-I149 HydrophobicContact CG2-CG2 3.97Å; I124-A158 HydrophobicContact CD1-CB 3.11Å; I124-M160 HydrophobicContact CD1-SD 4.09Å; I124-M160 HydrophobicContact CG1-SD 3.82Å; I124-I177 HydrophobicContact CD1-CD1 4.41Å; I124-I181 HydrophobicContact CD1-CD1 4.13Å; I124-I181 HydrophobicContact CG1-CD1 4.34Å; I124-I181 HydrophobicContact CG2-CD1 3.49Å; I124-I181 VanDerWaalsContact CG2-CD1 3.49Å; I124-R185 CarbonylContact C-O 3.49Å; I124-R185 VanDerWaalsContact CA-O 3.31Å; I124-R185 WeakPolarHBondContact CA-O 3.33Å; I124-R185 HydrophobicContact CG2-CB 4.4Å; I124-L186 HydrophobicContact CD1-CD2 4.21Å; I124-L186 HydrophobicContact CG1-CD2 3.94Å
125	E	94.5	Very high	95.8	Very high	76 Å²	76	43.7 Å²	43.7	36%	0.355	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	153.5	173.9	-64.6	-168.9	165.2	0	0	112.2	Y123 Y127 R185 Q187	Y123-E125 HydrophobicContact CE2-CG 3.68Å; Y123-E125 PolarHBondContact OH-OE1 2.62Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 PolarHBondContact O-N 2.94Å; E125-R185 HydrophobicContact CB-CB 4.36Å; E125-R185 PolarHBondContact N-O 3.39Å; E125-R185 VanDerWaalsContact O-CZ 3.3Å; E125-R185 PolarHBondContact O-NE 2.87Å; E125-R185 PolarHBondContact O-NH2 2.93Å; E125-Q187 HydrophobicContact CG-CG 4.06Å
126	N	93	Very high	96	Very high	128 Å²	128	44.7 Å²	44.7	68%	0.684	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	37.7	178	-56.9	-37.6	0	0	0	114	R185	N126-R185 PolarHBondContact O-NH2 2.95Å
127	Y	94.7	Very high	96	Very high	50 Å²	50	42.4 Å²	42.4	20%	0.196	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	155.4	168.6	66.1	-77.5	0	0	0	111.1	D104 D105 I124 E125 F147	D104-Y127 WeakPolarHBondContact CB-OH 3.28Å; D105-Y127 PolarHBondContact N-OH 3.01Å; D105-Y127 WeakPolarHBondContact OD1-CE1 3.48Å; D105-Y127 PolarHBondContact OD1-OH 3.17Å; I124-Y127 WeakPolarHBondContact O-CD1 3.38Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 PolarHBondContact O-N 2.94Å; Y127-F147 HydrophobicContact CD1-CD1 4.22Å; Y127-F147 AromaticContact CD2-CD1 3.86Å; Y127-F147 HydrophobicContact CD2-CD1 3.86Å; Y127-F147 HydrophobicContact CE2-CD1 4.28Å; Y127-F147 AromaticContact CG-CD1 3.82Å; Y127-F147 HydrophobicContact CG-CD1 3.82Å
128	K	94.8	Very high	95.9	Very high	125 Å²	125	48.9 Å²	48.9	54%	0.543	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-39.1	176.6	-72.6	175.3	167.9	-177.9	0	112.4	S148 E155	K128-S148 PolarHBondContact N-O 3.23Å; K128-E155 WeakPolarHBondContact CD-OE1 3.41Å; K128-E155 IonicContact NZ-OE1 3.33Å; K128-E155 PolarHBondContact NZ-OE1 3.46Å
129	K	94.1	Very high	95.7	Very high	136 Å²	136	55.5 Å²	55.5	59%	0.591	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.1	144.1	-175.7	-177.6	174.6	-179.7	-171.2	0	109.6	F147 S148	K129-F147 CarbonylContact O-C 3.58Å; K129-F147 WeakPolarHBondContact O-CA 3.31Å; K129-S148 PolarHBondContact O-N 2.92Å
130	S	94.7	Very high	95.6	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	153	170.1	56.5	0	0	0	0	109.3	E103 D104 T146	E103-S130 PolarHBondContact O-OG 3.15Å; D104-S130 PolarHBondContact OD1-OG 2.84Å; S130-T146 CarbonylContact C-O 3.55Å
131	D	94.3	Very high	95.6	Very high	91 Å²	91	55.2 Å²	55.2	49%	0.487	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.8	162.5	-177.1	50.4	0	0	0	107.3	W145 T146	D131-W145 CarbonylContact O-C 3.52Å; D131-W145 WeakPolarHBondContact O-CA 3.27Å; D131-T146 PolarHBondContact N-O 2.77Å; D131-T146 PolarHBondContact O-N 3.42Å
132	T	96.4	Very high	95.6	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.4	-167.5	-56.2	0	0	0	0	110.8	I77 E103 K144 W145	I77-T132 HydrophobicContact CD1-CG2 3.5Å; I77-T132 HydrophobicContact CG1-CG2 4.29Å; E103-T132 PolarHBondContact O-OG1 3.3Å; T132-K144 WeakPolarHBondContact CA-O 3.44Å; T132-W145 HydrophobicContact CG2-CD2 4.24Å; T132-W145 HydrophobicContact CG2-CG 4.17Å; T132-W145 HydrophobicContact CG2-CZ2 4.43Å; T132-W145 PolarHBondContact OG1-NE1 3.39Å
133	A	96.8	Very high	95.6	Very high	14 Å²	14	52.2 Å²	52.2	12%	0.116	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.3	176.7	0	0	0	0	0	111	F73 N75 A143 K144	F73-A133 HydrophobicContact CB-CB 3.75Å; F73-A133 WeakPolarHBondContact CD1-O 3.44Å; F73-A133 WeakPolarHBondContact O-CB 3.34Å; N75-A133 CarbonylContact O-C 3.49Å; N75-A133 WeakPolarHBondContact O-CA 3.5Å; A133-A143 CarbonylContact O-C 3.56Å; A133-A143 WeakPolarHBondContact O-CA 3.34Å; A133-K144 PolarHBondContact N-O 2.93Å; A133-K144 PolarHBondContact O-N 2.88Å
134	V	97.9	Very high	95.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.1	-179.4	-176	0	0	0	0	110.1	N74 N75 I77 Y81 F101 E136 L141 G142 A143	N74-V134 PolarHBondContact N-O 2.8Å; N75-V134 HydrophobicContact CB-CB 4.03Å; N75-V134 WeakPolarHBondContact CB-O 2.98Å; N75-V134 PolarHBondContact N-O 3.45Å; N75-V134 PolarHBondContact O-N 3.16Å; I77-V134 HydrophobicContact CD1-CG2 3.31Å; I77-V134 HydrophobicContact CG1-CG2 3.65Å; Y81-V134 HydrophobicContact CD1-CB 4.35Å; Y81-V134 HydrophobicContact CD1-CG1 4.01Å; Y81-V134 HydrophobicContact CD1-CG2 4.03Å; Y81-V134 HydrophobicContact CD2-CG2 4.34Å; Y81-V134 HydrophobicContact CE1-CB 4.47Å; Y81-V134 HydrophobicContact CE1-CG1 3.95Å; Y81-V134 HydrophobicContact CG-CB 4.47Å; Y81-V134 HydrophobicContact CG-CG2 3.88Å; F101-V134 HydrophobicContact CB-CG2 4.21Å; F101-V134 HydrophobicContact CD2-CG1 3.93Å; F101-V134 HydrophobicContact CD2-CG2 3.95Å; F101-V134 HydrophobicContact CE2-CG1 3.85Å; F101-V134 HydrophobicContact CG-CG2 4.18Å; V134-E136 HydrophobicContact CG1-CB 4.48Å; V134-L141 HydrophobicContact CG1-CD1 4.48Å; V134-G142 WeakPolarHBondContact CA-O 3.29Å; V134-G142 WeakPolarHBondContact CG1-O 3.23Å; V134-A143 HydrophobicContact CG2-CB 4.31Å
135	L	97	Very high	95.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.9	165.2	178.4	158.9	0	0	0	107.2	V68 R72 F73 E137 L140 L141 G142	V68-L135 HydrophobicContact CG1-CD1 3.52Å; R72-L135 HydrophobicContact CB-CD1 3.55Å; R72-L135 HydrophobicContact CB-CG 4.4Å; F73-L135 HydrophobicContact CD1-CB 3.61Å; F73-L135 HydrophobicContact CE1-CB 3.74Å; F73-L135 HydrophobicContact CE2-CD1 4.35Å; F73-L135 HydrophobicContact CG-CB 4.12Å; F73-L135 HydrophobicContact CZ-CB 4.35Å; F73-L135 HydrophobicContact CZ-CD1 4.34Å; L135-E137 HydrophobicContact CD2-CB 4.25Å; L135-E137 HydrophobicContact CD2-CG 3.96Å; L135-E137 HydrophobicContact CG-CG 4.34Å; L135-L140 HydrophobicContact CD1-CD2 4.17Å; L135-L140 HydrophobicContact CD2-CB 3.87Å; L135-L140 HydrophobicContact CD2-CD2 3.93Å; L135-L140 HydrophobicContact CD2-CG 3.76Å; L135-L140 WeakPolarHBondContact CD2-O 3.5Å; L135-L141 CarbonylContact O-C 3.59Å; L135-L141 WeakPolarHBondContact O-CA 3.3Å; L135-L141 WeakPolarHBondContact O-CD1 3.41Å; L135-G142 PolarHBondContact N-O 2.92Å; L135-G142 PolarHBondContact O-N 2.86Å
136	E	95.8	Very high	95.8	Very high	58 Å²	58	49.8 Å²	49.8	27%	0.271	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	103	176.1	179.3	171.6	-156.5	0	0	109.7	Y81 R84 V134 L141	Y81-E136 WeakPolarHBondContact CE1-OE2 3.47Å; Y81-E136 PolarHBondContact OH-OE2 3.16Å; R84-E136 PolarHBondContact N-OE1 2.9Å; V134-E136 HydrophobicContact CG1-CB 4.48Å; E136-L141 HydrophobicContact CB-CD1 3.77Å; E136-L141 HydrophobicContact CG-CD1 3.89Å
137	E	95	Very high	95.9	Very high	73 Å²	73	43.7 Å²	43.7	34%	0.341	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	170.3	-178.8	-64.4	-174.4	-153.4	0	0	111.3	R72 L135 E139 L140	R72-E137 IonicContact CZ-OE1 2.8Å; R72-E137 VanDerWaalsContact CZ-OE1 3.24Å; R72-E137 IonicContact CZ-OE2 3.9Å; R72-E137 IonicContact NE-OE1 2.93Å; R72-E137 PolarHBondContact NE-OE1 3.44Å; R72-E137 IonicContact NE-OE2 2.88Å; R72-E137 IonicContact NH2-OE1 3.23Å; R72-E137 PolarHBondContact NH2-OE1 2.71Å; R72-E137 IonicContact NH2-OE2 3.24Å; R72-E137 PolarHBondContact NH2-OE2 3.31Å; L135-E137 HydrophobicContact CD2-CB 4.25Å; L135-E137 HydrophobicContact CD2-CG 3.96Å; L135-E137 HydrophobicContact CG-CG 4.34Å; E137-E139 VanDerWaalsContact C-N 3.26Å; E137-E139 PolarHBondContact O-N 2.96Å; E137-L140 CarbonylContact C-O 3.51Å; E137-L140 WeakPolarHBondContact CA-O 3.46Å; E137-L140 PolarHBondContact N-O 3.41Å; E137-L140 VanDerWaalsContact O-O 3.06Å
138	K	93.5	Very high	96	Very high	144 Å²	144	42.8 Å²	42.8	63%	0.626	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-32	-175.8	-172.9	-179	175.3	-169.1	0	113.8	F87	F87-K138 VanDerWaalsContact CD1-O 3.28Å; F87-K138 WeakPolarHBondContact CD1-O 3.31Å
139	E	93.4	Very high	96	Very high	140 Å²	140	36.8 Å²	36.8	65%	0.654	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124	12.2	-175.3	-62.6	-173.3	167	0	0	112.8	E137 P166	E137-E139 VanDerWaalsContact C-N 3.26Å; E137-E139 PolarHBondContact O-N 2.96Å; E139-P166 HydrophobicContact CB-CG 4.11Å; E139-P166 WeakPolarHBondContact O-CD 3.33Å; E139-P166 WeakPolarHBondContact O-CG 3.39Å
140	L	95.7	Very high	96	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.073	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	135.7	-178.2	-166.1	64.2	0	0	0	110.3	V68 L135 E137 L163 H165	V68-L140 HydrophobicContact CG1-CD2 4.31Å; V68-L140 HydrophobicContact CG2-CD2 3.64Å; L135-L140 HydrophobicContact CD1-CD2 4.17Å; L135-L140 HydrophobicContact CD2-CB 3.87Å; L135-L140 HydrophobicContact CD2-CD2 3.93Å; L135-L140 HydrophobicContact CD2-CG 3.76Å; L135-L140 WeakPolarHBondContact CD2-O 3.5Å; E137-L140 CarbonylContact C-O 3.51Å; E137-L140 WeakPolarHBondContact CA-O 3.46Å; E137-L140 PolarHBondContact N-O 3.41Å; E137-L140 VanDerWaalsContact O-O 3.06Å; L140-L163 HydrophobicContact CD1-CD2 4.42Å; L140-L163 HydrophobicContact CD2-CD2 4.47Å; L140-L163 HydrophobicContact CG-CD2 4.4Å; L140-H165 VanDerWaalsContact CD1-CE1 3.45Å; L140-H165 WeakPolarHBondContact CD1-CE1 3.4Å; L140-H165 WeakPolarHBondContact CD1-ND1 3.49Å
141	L	97.5	Very high	95.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.8	174.8	-179.8	66.1	0	0	0	108.9	A83 P85 F87 I99 F101 V134 L135 E136 L163 M164	A83-L141 HydrophobicContact CB-CD1 3.82Å; A83-L141 HydrophobicContact CB-CD2 4.1Å; P85-L141 HydrophobicContact CB-CD2 4.43Å; P85-L141 HydrophobicContact CG-CD2 3.81Å; F87-L141 HydrophobicContact CE1-CB 4.21Å; F87-L141 HydrophobicContact CZ-CB 3.92Å; I99-L141 HydrophobicContact CB-CD2 4.49Å; I99-L141 HydrophobicContact CD1-CD2 3.69Å; F101-L141 HydrophobicContact CE2-CD1 3.99Å; F101-L141 HydrophobicContact CE2-CD2 4.47Å; F101-L141 HydrophobicContact CE2-CG 4.17Å; F101-L141 HydrophobicContact CZ-CD1 4.26Å; F101-L141 HydrophobicContact CZ-CD2 4.4Å; F101-L141 HydrophobicContact CZ-CG 3.99Å; V134-L141 HydrophobicContact CG1-CD1 4.48Å; L135-L141 CarbonylContact O-C 3.59Å; L135-L141 WeakPolarHBondContact O-CA 3.3Å; L135-L141 WeakPolarHBondContact O-CD1 3.41Å; E136-L141 HydrophobicContact CB-CD1 3.77Å; E136-L141 HydrophobicContact CG-CD1 3.89Å; L141-L163 CarbonylContact O-C 3.42Å; L141-M164 PolarHBondContact N-O 3.22Å; L141-M164 VanDerWaalsContact N-O 3.15Å; L141-M164 PolarHBondContact O-N 3.38Å
142	G	97.5	Very high	95.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	177.1	175.6	0	0	0	0	0	113.7	V134 L135 T162	V134-G142 WeakPolarHBondContact CA-O 3.29Å; V134-G142 WeakPolarHBondContact CG1-O 3.23Å; L135-G142 PolarHBondContact N-O 2.92Å; L135-G142 PolarHBondContact O-N 2.86Å; G142-T162 CarbonylContact C-O 3.53Å; G142-T162 WeakPolarHBondContact CA-O 3.43Å
143	A	97.8	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.1	177.3	0	0	0	0	0	110.7	F101 A133 V134 W145 T161 T162	F101-A143 HydrophobicContact CB-CB 4.37Å; F101-A143 HydrophobicContact CD1-CB 3.35Å; F101-A143 HydrophobicContact CE1-CB 3.67Å; F101-A143 HydrophobicContact CG-CB 3.88Å; F101-A143 HydrophobicContact CZ-CB 4.44Å; A133-A143 CarbonylContact O-C 3.56Å; A133-A143 WeakPolarHBondContact O-CA 3.34Å; V134-A143 HydrophobicContact CG2-CB 4.31Å; A143-W145 HydrophobicContact CB-CE3 4.37Å; A143-W145 HydrophobicContact CB-CH2 3.41Å; A143-W145 VanDerWaalsContact CB-CH2 3.41Å; A143-W145 HydrophobicContact CB-CZ2 3.77Å; A143-W145 HydrophobicContact CB-CZ3 3.74Å; A143-W145 VanDerWaalsContact O-CZ3 3.24Å; A143-W145 WeakPolarHBondContact O-CZ3 3.21Å; A143-T161 WeakPolarHBondContact O-CA 3.3Å; A143-T162 PolarHBondContact N-O 2.02Å; A143-T162 PolarHBondContact O-N 3.27Å
144	K	97.2	Very high	94.8	Very high	29 Å²	29	42 Å²	42	13%	0.126	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.7	179.3	177.9	-179.5	73.5	-172.4	0	108.2	S70 F73 T132 A133 T159 T161	S70-K144 PolarHBondContact O-NZ 2.03Å; S70-K144 PolarHBondContact OG-NZ 3.08Å; F73-K144 HydrophobicContact CD1-CB 3.77Å; F73-K144 HydrophobicContact CD2-CB 4.41Å; F73-K144 HydrophobicContact CD2-CD 4.37Å; F73-K144 HydrophobicContact CE1-CB 3.94Å; F73-K144 HydrophobicContact CG-CB 4.02Å; F73-K144 HydrophobicContact CZ-CB 4.32Å; T132-K144 WeakPolarHBondContact CA-O 3.44Å; A133-K144 PolarHBondContact N-O 2.93Å; A133-K144 PolarHBondContact O-N 2.88Å; K144-T159 HydrophobicContact CD-CG2 3.89Å; K144-T159 HydrophobicContact CG-CG2 3.74Å; K144-T161 HydrophobicContact CB-CG2 4.44Å
145	W	97.3	Very high	94.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.8	175.1	-64.2	-99.3	0	0	0	109.6	F101 H102 T108 D131 T132 A143 F147 T159 M160	F101-W145 HydrophobicContact CD1-CH2 4.08Å; F101-W145 HydrophobicContact CD1-CZ2 4.27Å; H102-W145 PolarHBondContact O-NE1 3.4Å; T108-W145 WeakPolarHBondContact OG1-CH2 3.43Å; D131-W145 CarbonylContact O-C 3.52Å; D131-W145 WeakPolarHBondContact O-CA 3.27Å; T132-W145 HydrophobicContact CG2-CD2 4.24Å; T132-W145 HydrophobicContact CG2-CG 4.17Å; T132-W145 HydrophobicContact CG2-CZ2 4.43Å; T132-W145 PolarHBondContact OG1-NE1 3.39Å; A143-W145 HydrophobicContact CB-CE3 4.37Å; A143-W145 HydrophobicContact CB-CH2 3.41Å; A143-W145 VanDerWaalsContact CB-CH2 3.41Å; A143-W145 HydrophobicContact CB-CZ2 3.77Å; A143-W145 HydrophobicContact CB-CZ3 3.74Å; A143-W145 VanDerWaalsContact O-CZ3 3.24Å; A143-W145 WeakPolarHBondContact O-CZ3 3.21Å; W145-F147 HydrophobicContact CB-CD2 4.28Å; W145-F147 HydrophobicContact CB-CE1 4.2Å; W145-F147 HydrophobicContact CB-CE2 3.49Å; W145-F147 VanDerWaalsContact CB-CE2 3.49Å; W145-F147 HydrophobicContact CB-CZ 3.44Å; W145-F147 VanDerWaalsContact CB-CZ 3.44Å; W145-F147 HydrophobicContact CG-CE2 4.37Å; W145-F147 AromaticContact CG-CZ 3.91Å; W145-F147 HydrophobicContact CG-CZ 3.91Å; W145-T159 VanDerWaalsContact O-CA 3.29Å; W145-T159 WeakPolarHBondContact O-CA 3.42Å; W145-M160 PolarHBondContact N-O 3.14Å; W145-M160 PolarHBondContact O-N 3.13Å
146	T	96.5	Very high	94.5	Very high	34 Å²	34	49.9 Å²	49.9	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.7	169.9	-59.2	0	0	0	0	109.2	S130 D131 T157 A158 T159	S130-T146 CarbonylContact C-O 3.55Å; D131-T146 PolarHBondContact N-O 2.77Å; D131-T146 PolarHBondContact O-N 3.42Å; T146-T157 HydrophobicContact CG2-CG2 4.33Å; T146-A158 CarbonylContact C-O 3.57Å; T146-A158 WeakPolarHBondContact CA-O 3.18Å; T146-T159 PolarHBondContact OG1-OG1 3.37Å
147	F	96.8	Very high	94.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.6	179.7	-57.2	-76.7	0	0	0	110.3	I124 Y127 K129 W145 I149 T157 A158 M160	I124-F147 HydrophobicContact CD1-CD2 4.44Å; Y127-F147 HydrophobicContact CD1-CD1 4.22Å; Y127-F147 AromaticContact CD2-CD1 3.86Å; Y127-F147 HydrophobicContact CD2-CD1 3.86Å; Y127-F147 HydrophobicContact CE2-CD1 4.28Å; Y127-F147 AromaticContact CG-CD1 3.82Å; Y127-F147 HydrophobicContact CG-CD1 3.82Å; K129-F147 CarbonylContact O-C 3.58Å; K129-F147 WeakPolarHBondContact O-CA 3.31Å; W145-F147 HydrophobicContact CB-CD2 4.28Å; W145-F147 HydrophobicContact CB-CE1 4.2Å; W145-F147 HydrophobicContact CB-CE2 3.49Å; W145-F147 VanDerWaalsContact CB-CE2 3.49Å; W145-F147 HydrophobicContact CB-CZ 3.44Å; W145-F147 VanDerWaalsContact CB-CZ 3.44Å; W145-F147 HydrophobicContact CG-CE2 4.37Å; W145-F147 AromaticContact CG-CZ 3.91Å; W145-F147 HydrophobicContact CG-CZ 3.91Å; F147-I149 HydrophobicContact CB-CG2 4.09Å; F147-T157 CarbonylContact O-C 3.54Å; F147-T157 WeakPolarHBondContact O-CA 3.29Å; F147-A158 PolarHBondContact N-O 3.26Å; F147-A158 PolarHBondContact O-N 3.33Å; F147-M160 HydrophobicContact CD2-SD 4.24Å; F147-M160 HydrophobicContact CE2-CB 4.5Å; F147-M160 HydrophobicContact CE2-CG 4.36Å; F147-M160 HydrophobicContact CE2-SD 3.93Å
148	S	96.3	Very high	94.6	Very high	31 Å²	31	46.8 Å²	46.8	22%	0.217	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.5	165.5	-59.2	0	0	0	0	108.9	K128 K129	K128-S148 PolarHBondContact N-O 3.23Å; K129-S148 PolarHBondContact O-N 2.92Å
149	I	94.8	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.9	-175.2	66.3	174	0	0	0	110.5	I124 F147 V151 E155 V156 P178 I181	I124-I149 HydrophobicContact CG2-CD1 4.44Å; I124-I149 HydrophobicContact CG2-CG2 3.97Å; F147-I149 HydrophobicContact CB-CG2 4.09Å; I149-V151 HydrophobicContact CD1-CG2 3.76Å; I149-V151 HydrophobicContact CG1-CG2 3.98Å; I149-E155 WeakPolarHBondContact O-CA 3.42Å; I149-V156 HydrophobicContact CD1-CG2 4.06Å; I149-V156 HydrophobicContact CG1-CG2 3.56Å; I149-V156 PolarHBondContact N-O 3.34Å; I149-V156 PolarHBondContact O-N 3.39Å; I149-P178 HydrophobicContact CD1-CG 4.16Å; I149-I181 HydrophobicContact CD1-CD1 3.5Å; I149-I181 VanDerWaalsContact CD1-CD1 3.5Å; I149-I181 HydrophobicContact CD1-CG1 4.2Å
150	N	93.2	Very high	95	Very high	63 Å²	63	34.2 Å²	34.2	34%	0.337	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.1	168.3	-167.7	-66.5	0	0	0	109.5	G153 S154 R185	N150-G153 VanDerWaalsContact OD1-CA 3.3Å; N150-G153 WeakPolarHBondContact OD1-CA 3.35Å; N150-G153 PolarHBondContact OD1-N 3.35Å; N150-S154 WeakPolarHBondContact CA-O 3.49Å; N150-R185 PolarHBondContact O-NH1 2.82Å
151	V	88.5	Confident	95.1	Very high	14 Å²	14	33.7 Å²	33.7	9%	0.085	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.5	172.2	-175.5	0	0	0	0	107.8	I149 G153 S154 V156 E180	I149-V151 HydrophobicContact CD1-CG2 3.76Å; I149-V151 HydrophobicContact CG1-CG2 3.98Å; V151-G153 PolarHBondContact O-N 2.92Å; V151-G153 VanDerWaalsContact O-N 3.12Å; V151-S154 PolarHBondContact N-O 3.04Å; V151-S154 PolarHBondContact O-N 3.38Å; V151-V156 HydrophobicContact CB-CG2 4.14Å; V151-V156 HydrophobicContact CG2-CG2 3.73Å; V151-E180 HydrophobicContact CG1-CB 3.63Å
152	N	88.2	Confident	95.1	Very high	145 Å²	145	33.6 Å²	33.6	78%	0.775	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	35.3	179.3	-58.9	-29.9	0	0	0	114.2	S154	N152-S154 VanDerWaalsContact C-N 3.29Å; N152-S154 PolarHBondContact O-N 2.77Å
153	G	88.6	Confident	95.1	Very high	61 Å²	61	33.6 Å²	33.6	63%	0.629	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-11.8	-179.9	0	0	0	0	0	114.7	N150 V151	N150-G153 VanDerWaalsContact OD1-CA 3.3Å; N150-G153 WeakPolarHBondContact OD1-CA 3.35Å; N150-G153 PolarHBondContact OD1-N 3.35Å; V151-G153 PolarHBondContact O-N 2.92Å; V151-G153 VanDerWaalsContact O-N 3.12Å
154	S	92.1	Very high	95.1	Very high	74 Å²	74	33.7 Å²	33.7	52%	0.517	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.6	177.4	-64.4	0	0	0	0	111.2	N150 V151 N152	N150-S154 WeakPolarHBondContact CA-O 3.49Å; V151-S154 PolarHBondContact N-O 3.04Å; V151-S154 PolarHBondContact O-N 3.38Å; N152-S154 VanDerWaalsContact C-N 3.29Å; N152-S154 PolarHBondContact O-N 2.77Å
155	E	93	Very high	95	Very high	121 Å²	121	34.2 Å²	34.2	57%	0.565	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	119	171.1	-172.8	157.5	-104.2	0	0	109.4	K128 I149	K128-E155 WeakPolarHBondContact CD-OE1 3.41Å; K128-E155 IonicContact NZ-OE1 3.33Å; K128-E155 PolarHBondContact NZ-OE1 3.46Å; I149-E155 WeakPolarHBondContact O-CA 3.42Å
156	V	95.5	Very high	94.7	Very high	45 Å²	45	37.1 Å²	37.1	27%	0.273	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	160	178.2	-62.4	0	0	0	0	109.1	I149 V151 P178	I149-V156 HydrophobicContact CD1-CG2 4.06Å; I149-V156 HydrophobicContact CG1-CG2 3.56Å; I149-V156 PolarHBondContact N-O 3.34Å; I149-V156 PolarHBondContact O-N 3.39Å; V151-V156 HydrophobicContact CB-CG2 4.14Å; V151-V156 HydrophobicContact CG2-CG2 3.73Å; V156-P178 HydrophobicContact CB-CG 4.09Å; V156-P178 HydrophobicContact CG2-CB 4Å; V156-P178 HydrophobicContact CG2-CG 3.55Å
157	T	96.2	Very high	94.2	Very high	65 Å²	65	40.3 Å²	40.3	40%	0.399	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	154.1	177	54.3	0	0	0	0	110.9	T146 F147 N176 P178	T146-T157 HydrophobicContact CG2-CG2 4.33Å; F147-T157 CarbonylContact O-C 3.54Å; F147-T157 WeakPolarHBondContact O-CA 3.29Å; T157-N176 PolarHBondContact O-ND2 3.39Å; T157-P178 WeakPolarHBondContact O-CD 3.28Å; T157-P178 WeakPolarHBondContact O-CG 3.35Å
158	A	97	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.1	168.1	0	0	0	0	0	109.1	I124 T146 F147 N176 I177	I124-A158 HydrophobicContact CD1-CB 3.11Å; T146-A158 CarbonylContact C-O 3.57Å; T146-A158 WeakPolarHBondContact CA-O 3.18Å; F147-A158 PolarHBondContact N-O 3.26Å; F147-A158 PolarHBondContact O-N 3.33Å; A158-N176 CarbonylContact C-O 3.59Å; A158-N176 WeakPolarHBondContact CA-O 3.43Å; A158-I177 HydrophobicContact CB-CD1 4.38Å
159	T	97.2	Very high	93.7	Very high	20 Å²	20	41.3 Å²	41.3	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.9	-174.4	-58.9	0	0	0	0	109.7	K144 W145 T146 D175 N176	K144-T159 HydrophobicContact CD-CG2 3.89Å; K144-T159 HydrophobicContact CG-CG2 3.74Å; W145-T159 VanDerWaalsContact O-CA 3.29Å; W145-T159 WeakPolarHBondContact O-CA 3.42Å; T146-T159 PolarHBondContact OG1-OG1 3.37Å; T159-D175 HydrophobicContact CG2-CB 3.86Å; T159-D175 PolarHBondContact O-N 2.79Å; T159-N176 PolarHBondContact N-O 3.29Å; T159-N176 PolarHBondContact O-N 3.49Å
160	M	97.9	Very high	93.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134	-174.4	-52.5	177	85.8	0	0	108.4	N122 I124 W145 F147 Y174 I177 S188 I212	N122-M160 WeakPolarHBondContact OD1-CE 3.09Å; I124-M160 HydrophobicContact CD1-SD 4.09Å; I124-M160 HydrophobicContact CG1-SD 3.82Å; W145-M160 PolarHBondContact N-O 3.14Å; W145-M160 PolarHBondContact O-N 3.13Å; F147-M160 HydrophobicContact CD2-SD 4.24Å; F147-M160 HydrophobicContact CE2-CB 4.5Å; F147-M160 HydrophobicContact CE2-CG 4.36Å; F147-M160 HydrophobicContact CE2-SD 3.93Å; M160-Y174 HydrophobicContact CB-CD1 4.43Å; M160-Y174 HydrophobicContact CE-CD1 3.53Å; M160-Y174 HydrophobicContact CE-CE1 3.46Å; M160-Y174 VanDerWaalsContact CE-CE1 3.46Å; M160-Y174 HydrophobicContact CG-CD1 4.18Å; M160-I177 HydrophobicContact CE-CD1 4.34Å; M160-I177 HydrophobicContact CG-CD1 3.91Å; M160-I177 HydrophobicContact SD-CD1 4.32Å; M160-S188 WeakPolarHBondContact CE-OG 3.49Å; M160-I212 HydrophobicContact CE-CG2 3.8Å
161	T	97.9	Very high	94.1	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.4	-173.6	-59.1	0	0	0	0	109.9	F73 N122 A143 K144 L163 F172 H173 D175	F73-T161 HydrophobicContact CE1-CG2 4.01Å; F73-T161 HydrophobicContact CE2-CG2 4.29Å; F73-T161 HydrophobicContact CZ-CG2 3.45Å; F73-T161 VanDerWaalsContact CZ-CG2 3.45Å; N122-T161 PolarHBondContact ND2-O 2.79Å; A143-T161 WeakPolarHBondContact O-CA 3.3Å; K144-T161 HydrophobicContact CB-CG2 4.44Å; T161-L163 HydrophobicContact CG2-CD1 4.5Å; T161-L163 HydrophobicContact CG2-CD2 4.28Å; T161-L163 HydrophobicContact CG2-CG 4.02Å; T161-F172 CarbonylContact O-C 3.49Å; T161-F172 VanDerWaalsContact O-CA 3.29Å; T161-F172 WeakPolarHBondContact O-CA 3.31Å; T161-H173 PolarHBondContact N-O 3.32Å; T161-H173 PolarHBondContact O-N 3.4Å; T161-D175 PolarHBondContact OG1-OD2 3.11Å
162	T	98.2	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.8	171.4	-61	0	0	0	0	109.3	N122 G142 A143 M164 L170 S171 F172	N122-T162 PolarHBondContact ND2-OG1 3.31Å; G142-T162 CarbonylContact C-O 3.53Å; G142-T162 WeakPolarHBondContact CA-O 3.43Å; A143-T162 PolarHBondContact N-O 2.02Å; A143-T162 PolarHBondContact O-N 3.27Å; T162-M164 HydrophobicContact CG2-CE 4.22Å; T162-L170 HydrophobicContact CG2-CD1 3.69Å; T162-S171 CarbonylContact C-O 3.58Å; T162-S171 WeakPolarHBondContact CA-O 3.46Å; T162-F172 HydrophobicContact CG2-CD1 3.94Å; T162-F172 HydrophobicContact CG2-CE1 3.72Å; T162-F172 WeakPolarHBondContact OG1-CD1 3.2Å; T162-F172 WeakPolarHBondContact OG1-CE1 3.47Å
163	L	97.8	Very high	95	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.8	-179.9	-65.9	170.1	0	0	0	111.5	P67 V68 F73 L140 L141 T161 L170 S171	P67-L163 HydrophobicContact CB-CD1 4.1Å; P67-L163 HydrophobicContact CG-CD1 3.57Å; V68-L163 HydrophobicContact CB-CD1 4.49Å; V68-L163 HydrophobicContact CG2-CD1 3.55Å; V68-L163 HydrophobicContact CG2-CD2 4.13Å; F73-L163 HydrophobicContact CE1-CD2 4.32Å; F73-L163 HydrophobicContact CZ-CD2 3.87Å; L140-L163 HydrophobicContact CD1-CD2 4.42Å; L140-L163 HydrophobicContact CD2-CD2 4.47Å; L140-L163 HydrophobicContact CG-CD2 4.4Å; L141-L163 CarbonylContact O-C 3.42Å; T161-L163 HydrophobicContact CG2-CD1 4.5Å; T161-L163 HydrophobicContact CG2-CD2 4.28Å; T161-L163 HydrophobicContact CG2-CG 4.02Å; L163-L170 CarbonylContact O-C 3.59Å; L163-L170 WeakPolarHBondContact O-CA 3.49Å; L163-S171 PolarHBondContact N-O 2.92Å; L163-S171 PolarHBondContact O-N 3.49Å
164	M	97.6	Very high	95.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.8	-178.8	-71.7	167.3	-114	0	0	109.9	I89 I99 F101 T108 Y110 L141 T162 L170	I89-M164 HydrophobicContact CD1-CB 3.8Å; I89-M164 HydrophobicContact CD1-CG 3.97Å; I89-M164 HydrophobicContact CD1-SD 4.19Å; I99-M164 HydrophobicContact CD1-CE 4.41Å; I99-M164 HydrophobicContact CD1-SD 3.52Å; I99-M164 VanDerWaalsContact CD1-SD 3.52Å; I99-M164 HydrophobicContact CG2-CE 4.29Å; F101-M164 HydrophobicContact CE1-CE 3.68Å; F101-M164 HydrophobicContact CZ-CE 3.75Å; T108-M164 HydrophobicContact CG2-CE 3.83Å; Y110-M164 HydrophobicContact CE1-CE 4.34Å; Y110-M164 HydrophobicContact CE1-SD 3.55Å; Y110-M164 VanDerWaalsContact CE1-SD 3.55Å; Y110-M164 WeakPolarHBondContact OH-CE 3.32Å; Y110-M164 PolarHBondContact OH-SD 3.28Å; L141-M164 PolarHBondContact N-O 3.22Å; L141-M164 VanDerWaalsContact N-O 3.15Å; L141-M164 PolarHBondContact O-N 3.38Å; T162-M164 HydrophobicContact CG2-CE 4.22Å; M164-L170 HydrophobicContact CG-CD1 3.68Å
165	H	94.5	Very high	95.7	Very high	41 Å²	41	26.8 Å²	26.8	19%	0.19	15%	0.146	C	C	.	.			trans	-114.6	156.6	-173.1	-62.6	-90.1	0	0	0	112.2	L140 N167 G168 K169	L140-H165 VanDerWaalsContact CD1-CE1 3.45Å; L140-H165 WeakPolarHBondContact CD1-CE1 3.4Å; L140-H165 WeakPolarHBondContact CD1-ND1 3.49Å; H165-N167 VanDerWaalsContact CB-OD1 3.3Å; H165-N167 WeakPolarHBondContact CB-OD1 3.43Å; H165-N167 PolarHBondContact O-N 3.28Å; H165-N167 VanDerWaalsContact O-N 3.13Å; H165-G168 PolarHBondContact O-N 3.32Å; H165-K169 HydrophobicContact CB-CB 4.2Å; H165-K169 PolarHBondContact CD2-O 3.25Å; H165-K169 PolarHBondContact N-O 3.49Å
166	P	91	Very high	95.8	Very high	61 Å²	61	24 Å²	24	40%	0.396	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.5	179.4	-28	35.8	0	0	0	115.7	F87 E139 G168	F87-P166 HydrophobicContact CB-CB 4.09Å; F87-P166 HydrophobicContact CB-CG 4.24Å; F87-P166 HydrophobicContact CD1-CG 4.24Å; F87-P166 HydrophobicContact CD2-CB 4.16Å; F87-P166 HydrophobicContact CD2-CG 4.19Å; F87-P166 HydrophobicContact CG-CB 4.15Å; F87-P166 HydrophobicContact CG-CG 3.97Å; E139-P166 HydrophobicContact CB-CG 4.11Å; E139-P166 WeakPolarHBondContact O-CD 3.33Å; E139-P166 WeakPolarHBondContact O-CG 3.39Å; P166-G168 PolarHBondContact O-N 2.79Å
167	N	86.4	Confident	95.9	Very high	100 Å²	100	22.3 Å²	22.3	54%	0.535	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	7.4	176.3	66.7	-8.9	0	0	0	113.2	H165 K169	H165-N167 VanDerWaalsContact CB-OD1 3.3Å; H165-N167 WeakPolarHBondContact CB-OD1 3.43Å; H165-N167 PolarHBondContact O-N 3.28Å; H165-N167 VanDerWaalsContact O-N 3.13Å; N167-K169 PolarHBondContact O-N 2.91Å; N167-K169 WeakPolarHBondContact OD1-CB 3.39Å; N167-K169 PolarHBondContact OD1-N 3.39Å
168	G	89	Confident	95.8	Very high	6 Å²	6	19.9 Å²	19.9	6%	0.062	11%	0.109	C	C	.	.	S	Bend	trans	78.7	3.1	-176.3	0	0	0	0	0	114.2	H165 P166	H165-G168 PolarHBondContact O-N 3.32Å; P166-G168 PolarHBondContact O-N 2.79Å
169	K	93.5	Very high	95.7	Very high	46 Å²	46	28.1 Å²	28.1	20%	0.2	15%	0.15	C	C	.	.			trans	-67.9	133.8	172.4	-172.8	175.9	69.8	167.7	0	109.8	H165 N167 E219 F220	H165-K169 HydrophobicContact CB-CB 4.2Å; H165-K169 PolarHBondContact CD2-O 3.25Å; H165-K169 PolarHBondContact N-O 3.49Å; N167-K169 PolarHBondContact O-N 2.91Å; N167-K169 WeakPolarHBondContact OD1-CB 3.39Å; N167-K169 PolarHBondContact OD1-N 3.39Å; K169-E219 HydrophobicContact CD-CB 4.36Å; K169-E219 HydrophobicContact CD-CG 4.47Å; K169-E219 IonicContact NZ-OE1 3.52Å; K169-E219 PolarHBondContact NZ-OE1 2.87Å; K169-F220 WeakPolarHBondContact CA-O 3.32Å
170	L	97.5	Very high	95.4	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.2	172.2	169.5	75.7	0	0	0	107.8	F91 T120 T162 L163 M164 I190 F220	F91-L170 HydrophobicContact CE2-CD2 4.36Å; T120-L170 HydrophobicContact CG2-CD1 4.28Å; T120-L170 HydrophobicContact CG2-CD2 3.6Å; T162-L170 HydrophobicContact CG2-CD1 3.69Å; L163-L170 CarbonylContact O-C 3.59Å; L163-L170 WeakPolarHBondContact O-CA 3.49Å; M164-L170 HydrophobicContact CG-CD1 3.68Å; L170-I190 HydrophobicContact CD2-CB 4.43Å; L170-I190 HydrophobicContact CD2-CD1 4.49Å; L170-I190 HydrophobicContact CD2-CG2 3.5Å; L170-F220 HydrophobicContact CB-CB 4.29Å; L170-F220 HydrophobicContact CB-CD2 4.47Å; L170-F220 HydrophobicContact CD2-CD2 3.92Å; L170-F220 HydrophobicContact CD2-CG 4.49Å; L170-F220 HydrophobicContact CG-CD2 4.11Å; L170-F220 PolarHBondContact N-O 2.79Å; L170-F220 VanDerWaalsContact N-O 3.07Å; L170-F220 PolarHBondContact O-N 2.62Å
171	S	98	Very high	95.2	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.2	176.4	61.6	0	0	0	0	113.5	T162 L163 V218	T162-S171 CarbonylContact C-O 3.58Å; T162-S171 WeakPolarHBondContact CA-O 3.46Å; L163-S171 PolarHBondContact N-O 2.92Å; L163-S171 PolarHBondContact O-N 3.49Å; S171-V218 CarbonylContact C-O 3.59Å; S171-V218 WeakPolarHBondContact CA-O 3.43Å; S171-V218 WeakPolarHBondContact CB-O 3.32Å
172	F	98.7	Very high	95	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.3	165.5	-56.3	-31.4	0	0	0	109.7	T120 N122 T161 T162 Y174 I190 V207 L217 V218 F220	T120-F172 HydrophobicContact CG2-CE1 4.28Å; T120-F172 HydrophobicContact CG2-CZ 4.16Å; N122-F172 HydrophobicContact CB-CD1 4.24Å; N122-F172 HydrophobicContact CB-CE1 4.22Å; N122-F172 HydrophobicContact CB-CZ 4.49Å; T161-F172 CarbonylContact O-C 3.49Å; T161-F172 VanDerWaalsContact O-CA 3.29Å; T161-F172 WeakPolarHBondContact O-CA 3.31Å; T162-F172 HydrophobicContact CG2-CD1 3.94Å; T162-F172 HydrophobicContact CG2-CE1 3.72Å; T162-F172 WeakPolarHBondContact OG1-CD1 3.2Å; T162-F172 WeakPolarHBondContact OG1-CE1 3.47Å; F172-Y174 HydrophobicContact CB-CE1 4.27Å; F172-I190 HydrophobicContact CE2-CG2 4.04Å; F172-I190 HydrophobicContact CZ-CG2 3.65Å; F172-V207 HydrophobicContact CD2-CG2 4.08Å; F172-V207 HydrophobicContact CE2-CG2 4.39Å; F172-L217 WeakPolarHBondContact O-CA 3.17Å; F172-V218 HydrophobicContact CB-CB 4.21Å; F172-V218 PolarHBondContact N-O 2.84Å; F172-V218 PolarHBondContact O-N 2.89Å; F172-F220 AromaticContact CD2-CE2 3.73Å; F172-F220 HydrophobicContact CD2-CE2 3.73Å; F172-F220 HydrophobicContact CD2-CZ 4.25Å; F172-F220 AromaticContact CE2-CE2 3.61Å; F172-F220 HydrophobicContact CE2-CE2 3.61Å; F172-F220 HydrophobicContact CE2-CZ 4Å; F172-F220 HydrophobicContact CG-CE2 4.32Å; F172-F220 HydrophobicContact CZ-CE2 4.13Å
173	H	98.4	Very high	94.8	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.019	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.2	171.5	178.6	-95.3	0	0	0	109.4	P67 T161 D175 L217	P67-H173 VanDerWaalsContact CD-CG 3.48Å; P67-H173 HydrophobicContact CG-CB 4.09Å; T161-H173 PolarHBondContact N-O 3.32Å; T161-H173 PolarHBondContact O-N 3.4Å; H173-D175 IonicContact CE1-OD1 3.08Å; H173-D175 PolarHBondContact CE1-OD1 2.81Å; H173-D175 IonicContact ND1-OD1 3.18Å; H173-D175 PolarHBondContact ND1-OD1 2.91Å; H173-D175 IonicContact ND1-OD2 2.85Å; H173-D175 PolarHBondContact ND1-OD2 2.96Å; H173-L217 HydrophobicContact CB-CD1 4.1Å
174	Y	98.3	Very high	94.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	95.5	179.7	-46.8	-69.1	0	0	0	109.4	N122 M160 F172 I177 S188 I212 K213 S214 G215 S216 V218	N122-Y174 WeakPolarHBondContact OD1-CE1 3.48Å; M160-Y174 HydrophobicContact CB-CD1 4.43Å; M160-Y174 HydrophobicContact CE-CD1 3.53Å; M160-Y174 HydrophobicContact CE-CE1 3.46Å; M160-Y174 VanDerWaalsContact CE-CE1 3.46Å; M160-Y174 HydrophobicContact CG-CD1 4.18Å; F172-Y174 HydrophobicContact CB-CE1 4.27Å; Y174-I177 HydrophobicContact CD1-CD1 4.4Å; Y174-I177 HydrophobicContact CG-CG1 4.42Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.42Å; Y174-S188 VanDerWaalsContact OH-CB 3.26Å; Y174-S188 WeakPolarHBondContact OH-CB 3.12Å; Y174-S188 PolarHBondContact OH-OG 3.5Å; Y174-I212 HydrophobicContact CD1-CG2 3.79Å; Y174-I212 HydrophobicContact CD2-CG2 4.44Å; Y174-I212 HydrophobicContact CE1-CB 4.46Å; Y174-I212 HydrophobicContact CE1-CG1 4.36Å; Y174-I212 HydrophobicContact CE1-CG2 3.69Å; Y174-I212 HydrophobicContact CE2-CB 4.39Å; Y174-I212 HydrophobicContact CE2-CG1 4.29Å; Y174-I212 HydrophobicContact CE2-CG2 4.34Å; Y174-I212 HydrophobicContact CG-CG2 4.17Å; Y174-K213 WeakPolarHBondContact CB-O 3.34Å; Y174-S214 CarbonylContact O-C 3.44Å; Y174-S214 WeakPolarHBondContact O-CA 3.5Å; Y174-G215 PolarHBondContact O-N 2.85Å; Y174-S216 VanDerWaalsContact CD2-O 3.28Å; Y174-S216 WeakPolarHBondContact CD2-O 3.44Å; Y174-S216 PolarHBondContact N-O 2.68Å; Y174-S216 VanDerWaalsContact N-O 3.11Å; Y174-V218 HydrophobicContact CE2-CG2 3.81Å
175	D	96.2	Very high	94.6	Very high	40 Å²	40	49.1 Å²	49.1	21%	0.214	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-40.5	-174.8	-58.4	-88.5	0	0	0	111.9	Q66 T159 T161 H173	Q66-D175 VanDerWaalsContact CD-OD1 3.29Å; Q66-D175 VanDerWaalsContact CG-OD1 3.25Å; Q66-D175 WeakPolarHBondContact CG-OD1 3.45Å; Q66-D175 PolarHBondContact NE2-OD1 2.98Å; T159-D175 HydrophobicContact CG2-CB 3.86Å; T159-D175 PolarHBondContact O-N 2.79Å; T161-D175 PolarHBondContact OG1-OD2 3.11Å; H173-D175 IonicContact CE1-OD1 3.08Å; H173-D175 PolarHBondContact CE1-OD1 2.81Å; H173-D175 IonicContact ND1-OD1 3.18Å; H173-D175 PolarHBondContact ND1-OD1 2.91Å; H173-D175 IonicContact ND1-OD2 2.85Å; H173-D175 PolarHBondContact ND1-OD2 2.96Å
176	N	95.6	Very high	94.7	Very high	63 Å²	63	47.6 Å²	47.6	34%	0.337	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	120.2	178.7	178.2	40.8	0	0	0	109.7	T157 A158 T159	T157-N176 PolarHBondContact O-ND2 3.39Å; A158-N176 CarbonylContact C-O 3.59Å; A158-N176 WeakPolarHBondContact CA-O 3.43Å; T159-N176 PolarHBondContact N-O 3.29Å; T159-N176 PolarHBondContact O-N 3.49Å
177	I	97	Very high	95	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.046	24%	0.24	C	C	.	.			trans	-130.4	116.8	173.5	-54.7	-66.8	0	0	0	107.2	I124 A158 M160 Y174 M179 I181 L186 I212 S214	I124-I177 HydrophobicContact CD1-CD1 4.41Å; A158-I177 HydrophobicContact CB-CD1 4.38Å; M160-I177 HydrophobicContact CE-CD1 4.34Å; M160-I177 HydrophobicContact CG-CD1 3.91Å; M160-I177 HydrophobicContact SD-CD1 4.32Å; Y174-I177 HydrophobicContact CD1-CD1 4.4Å; Y174-I177 HydrophobicContact CG-CG1 4.42Å; I177-M179 PolarHBondContact O-N 2.87Å; I177-I181 HydrophobicContact CG2-CG2 4.06Å; I177-L186 HydrophobicContact CG2-CD1 4.4Å; I177-L186 HydrophobicContact CG2-CD2 3.89Å; I177-I212 HydrophobicContact CD1-CG2 4.27Å; I177-I212 HydrophobicContact CG1-CG2 4.46Å; I177-S214 PolarHBondContact N-OG 3.02Å; I177-S214 PolarHBondContact O-OG 2.65Å
178	P	95.3	Very high	95.6	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.091	22%	0.215	C	C	.	.			trans	-56	136	176.1	-27.3	36.6	0	0	0	111.6	I149 V156 T157 E180 I181	I149-P178 HydrophobicContact CD1-CG 4.16Å; V156-P178 HydrophobicContact CB-CG 4.09Å; V156-P178 HydrophobicContact CG2-CB 4Å; V156-P178 HydrophobicContact CG2-CG 3.55Å; T157-P178 WeakPolarHBondContact O-CD 3.28Å; T157-P178 WeakPolarHBondContact O-CG 3.35Å; P178-E180 VanDerWaalsContact C-N 3.27Å; P178-E180 PolarHBondContact O-N 2.89Å; P178-I181 WeakPolarHBondContact O-CG2 3.39Å; P178-I181 PolarHBondContact O-N 2.84Å
179	M	93	Very high	96	Very high	172 Å²	172	44.5 Å²	44.5	85%	0.847	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.7	-175.4	-66.4	-172.7	-59.5	0	0	112.8	I177 I181	I177-M179 PolarHBondContact O-N 2.87Å; M179-I181 VanDerWaalsContact C-N 3.29Å; M179-I181 PolarHBondContact O-N 3.42Å
180	E	91.5	Very high	96.3	Very high	113 Å²	113	42.3 Å²	42.3	53%	0.528	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.9	-175.7	-55.9	78.1	-171.2	0	0	112.9	V151 P178	V151-E180 HydrophobicContact CG1-CB 3.63Å; P178-E180 VanDerWaalsContact C-N 3.27Å; P178-E180 PolarHBondContact O-N 2.89Å
181	I	93.5	Very high	96.3	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	22%	0.215	C	C	.	.	S	Bend	trans	-73.4	138.4	178.9	-158.9	178.7	0	0	0	111	I124 I149 I177 P178 M179 E183 R185 L186	I124-I181 HydrophobicContact CD1-CD1 4.13Å; I124-I181 HydrophobicContact CG1-CD1 4.34Å; I124-I181 HydrophobicContact CG2-CD1 3.49Å; I124-I181 VanDerWaalsContact CG2-CD1 3.49Å; I149-I181 HydrophobicContact CD1-CD1 3.5Å; I149-I181 VanDerWaalsContact CD1-CD1 3.5Å; I149-I181 HydrophobicContact CD1-CG1 4.2Å; I177-I181 HydrophobicContact CG2-CG2 4.06Å; P178-I181 WeakPolarHBondContact O-CG2 3.39Å; P178-I181 PolarHBondContact O-N 2.84Å; M179-I181 VanDerWaalsContact C-N 3.29Å; M179-I181 PolarHBondContact O-N 3.42Å; I181-E183 PolarHBondContact O-N 3.39Å; I181-R185 HydrophobicContact CD1-CB 4.23Å; I181-R185 HydrophobicContact CG1-CB 4.34Å; I181-L186 HydrophobicContact CD1-CD2 3.95Å; I181-L186 HydrophobicContact CG2-CD1 4.03Å; I181-L186 HydrophobicContact CG2-CD2 3.84Å; I181-L186 HydrophobicContact CG2-CG 4.11Å
182	E	93.6	Very high	96.2	Very high	132 Å²	132	42.6 Å²	42.6	62%	0.617	21%	0.214	S	C	*	.			trans	-66.1	131.8	174.1	-64.1	176.7	-173.9	0	0	111	S184 R185	E182-S184 PolarHBondContact O-N 2.92Å; E182-S184 VanDerWaalsContact O-N 3.14Å; E182-R185 HydrophobicContact CB-CG 4.35Å; E182-R185 WeakPolarHBondContact O-CB 3.33Å; E182-R185 PolarHBondContact O-N 3Å
183	E	95.3	Very high	96.1	Very high	100 Å²	100	44.4 Å²	44.4	47%	0.467	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-56.6	-30.9	-179.7	-73.7	-168.2	179.3	0	0	113.1	I181 R185 L186 A209 K210	I181-E183 PolarHBondContact O-N 3.39Å; E183-R185 PolarHBondContact O-N 2.96Å; E183-L186 PolarHBondContact O-N 2.84Å; E183-L186 VanDerWaalsContact O-N 3.11Å; E183-A209 HydrophobicContact CB-CB 3.77Å; E183-A209 HydrophobicContact CG-CB 4.34Å; E183-A209 VanDerWaalsContact O-CB 3.27Å; E183-A209 WeakPolarHBondContact O-CB 3.37Å; E183-K210 WeakPolarHBondContact OE1-CA 3.32Å
184	S	95.1	Very high	95.8	Very high	75 Å²	75	44.7 Å²	44.7	52%	0.524	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-59.1	-28.1	176.8	51.9	0	0	0	0	113.5	E182 Q187	E182-S184 PolarHBondContact O-N 2.92Å; E182-S184 VanDerWaalsContact O-N 3.14Å; S184-Q187 PolarHBondContact O-NE2 2.89Å
185	R	95.3	Very high	95.4	Very high	30 Å²	30	51.3 Å²	51.3	11%	0.113	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-81.3	-16.8	-179.9	-61.8	177.7	61	176.7	-1.5	113	I124 E125 N126 N150 I181 E182 E183	I124-R185 CarbonylContact C-O 3.49Å; I124-R185 VanDerWaalsContact CA-O 3.31Å; I124-R185 WeakPolarHBondContact CA-O 3.33Å; I124-R185 HydrophobicContact CG2-CB 4.4Å; E125-R185 HydrophobicContact CB-CB 4.36Å; E125-R185 PolarHBondContact N-O 3.39Å; E125-R185 VanDerWaalsContact O-CZ 3.3Å; E125-R185 PolarHBondContact O-NE 2.87Å; E125-R185 PolarHBondContact O-NH2 2.93Å; N126-R185 PolarHBondContact O-NH2 2.95Å; N150-R185 PolarHBondContact O-NH1 2.82Å; I181-R185 HydrophobicContact CD1-CB 4.23Å; I181-R185 HydrophobicContact CG1-CB 4.34Å; E182-R185 HydrophobicContact CB-CG 4.35Å; E182-R185 WeakPolarHBondContact O-CB 3.33Å; E182-R185 PolarHBondContact O-N 3Å; E183-R185 PolarHBondContact O-N 2.96Å
186	L	97.2	Very high	95.1	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.8	-176.1	-60.4	173.5	0	0	0	109.5	I124 I177 I181 E183 A209 I212	I124-L186 HydrophobicContact CD1-CD2 4.21Å; I124-L186 HydrophobicContact CG1-CD2 3.94Å; I177-L186 HydrophobicContact CG2-CD1 4.4Å; I177-L186 HydrophobicContact CG2-CD2 3.89Å; I181-L186 HydrophobicContact CD1-CD2 3.95Å; I181-L186 HydrophobicContact CG2-CD1 4.03Å; I181-L186 HydrophobicContact CG2-CD2 3.84Å; I181-L186 HydrophobicContact CG2-CG 4.11Å; E183-L186 PolarHBondContact O-N 2.84Å; E183-L186 VanDerWaalsContact O-N 3.11Å; L186-A209 HydrophobicContact CB-CB 4.41Å; L186-I212 HydrophobicContact CB-CB 4.12Å; L186-I212 HydrophobicContact CB-CD1 3.85Å; L186-I212 HydrophobicContact CB-CG2 4.04Å; L186-I212 HydrophobicContact CD1-CB 4.05Å; L186-I212 HydrophobicContact CD1-CG2 4.19Å; L186-I212 WeakPolarHBondContact CD1-O 3.44Å; L186-I212 HydrophobicContact CD2-CG2 4.04Å; L186-I212 HydrophobicContact CG-CG2 4.33Å
187	Q	97.2	Very high	94.6	Very high	56 Å²	56	55.4 Å²	55.4	26%	0.262	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	107.3	-174.3	-64.2	-61.6	-32	0	0	111	Y123 E125 S184	Y123-Q187 HydrophobicContact CD1-CB 3.83Å; Y123-Q187 HydrophobicContact CE1-CB 3.4Å; Y123-Q187 VanDerWaalsContact CE1-CB 3.4Å; Y123-Q187 HydrophobicContact CE1-CG 4.17Å; Y123-Q187 PolarHBondContact N-O 3.4Å; Y123-Q187 PolarHBondContact O-N 2.87Å; Y123-Q187 VanDerWaalsContact O-O 3.1Å; E125-Q187 HydrophobicContact CG-CG 4.06Å; S184-Q187 PolarHBondContact O-NE2 2.89Å
188	S	98.5	Very high	94.1	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.014	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.6	173.8	-58.1	0	0	0	0	110.1	Y121 N122 M160 Y174 V207	Y121-S188 CarbonylContact O-C 3.49Å; Y121-S188 VanDerWaalsContact O-CA 3.23Å; Y121-S188 WeakPolarHBondContact O-CA 3.36Å; N122-S188 PolarHBondContact OD1-OG 2.64Å; M160-S188 WeakPolarHBondContact CE-OG 3.49Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.42Å; Y174-S188 VanDerWaalsContact OH-CB 3.26Å; Y174-S188 WeakPolarHBondContact OH-CB 3.12Å; Y174-S188 PolarHBondContact OH-OG 3.5Å; S188-V207 WeakPolarHBondContact O-CB 3.43Å; S188-V207 WeakPolarHBondContact O-CG2 3.48Å; S188-V207 PolarHBondContact O-N 3.32Å
189	K	98.1	Very high	93.9	Very high	44 Å²	44	60.3 Å²	60.3	19%	0.191	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	161.5	-176.5	62.8	-179	-175	170.9	0	113.5	T120 Y121 V191 E204 I205 S206	T120-K189 WeakPolarHBondContact CA-O 3.11Å; Y121-K189 HydrophobicContact CD2-CD 4.48Å; Y121-K189 HydrophobicContact CD2-CG 3.95Å; Y121-K189 HydrophobicContact CG-CG 4.41Å; Y121-K189 PolarHBondContact N-O 3.24Å; Y121-K189 PolarHBondContact O-N 2.99Å; K189-V191 HydrophobicContact CD-CG2 4.26Å; K189-V191 HydrophobicContact CG-CG2 4.36Å; K189-E204 HydrophobicContact CD-CG 4.13Å; K189-E204 WeakPolarHBondContact CD-OE2 3.39Å; K189-E204 IonicContact NZ-OE1 3.55Å; K189-E204 PolarHBondContact NZ-OE1 2.99Å; K189-E204 IonicContact NZ-OE2 3.17Å; K189-E204 PolarHBondContact NZ-OE2 3.24Å; K189-I205 CarbonylContact C-O 3.47Å; K189-I205 WeakPolarHBondContact CA-O 3.3Å; K189-I205 VanDerWaalsContact CB-O 3.31Å; K189-I205 WeakPolarHBondContact CB-O 3.43Å; K189-S206 WeakPolarHBondContact CB-OG 3.47Å
190	I	98.2	Very high	93.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.3	172.3	74.2	166.3	0	0	0	108.9	Y56 F91 Y92 T120 L170 F172 E204 I205 F220	Y56-I190 HydrophobicContact CD2-CD1 3.68Å; Y56-I190 HydrophobicContact CE2-CD1 3.87Å; Y56-I190 HydrophobicContact CG-CD1 4.11Å; F91-I190 HydrophobicContact CZ-CB 4.27Å; Y92-I190 HydrophobicContact CE2-CD1 4.03Å; Y92-I190 HydrophobicContact CE2-CG1 4.16Å; T120-I190 HydrophobicContact CG2-CB 4.12Å; T120-I190 HydrophobicContact CG2-CG2 3.67Å; L170-I190 HydrophobicContact CD2-CB 4.43Å; L170-I190 HydrophobicContact CD2-CD1 4.49Å; L170-I190 HydrophobicContact CD2-CG2 3.5Å; F172-I190 HydrophobicContact CE2-CG2 4.04Å; F172-I190 HydrophobicContact CZ-CG2 3.65Å; I190-E204 WeakPolarHBondContact O-CA 3.32Å; I190-I205 HydrophobicContact CD1-CD1 4.03Å; I190-I205 HydrophobicContact CG1-CB 3.91Å; I190-I205 HydrophobicContact CG1-CD1 4.22Å; I190-I205 HydrophobicContact CG1-CG1 4.29Å; I190-I205 PolarHBondContact N-O 2.99Å; I190-I205 PolarHBondContact O-N 3.34Å; I190-F220 HydrophobicContact CD1-CB 4.42Å; I190-F220 HydrophobicContact CD1-CD1 3.9Å; I190-F220 HydrophobicContact CD1-CE1 4.31Å; I190-F220 HydrophobicContact CD1-CG 4.08Å; I190-F220 HydrophobicContact CG1-CD1 4.43Å; I190-F220 HydrophobicContact CG1-CE1 4.35Å; I190-F220 HydrophobicContact CG2-CD2 4.12Å; I190-F220 HydrophobicContact CG2-CE1 4.4Å; I190-F220 HydrophobicContact CG2-CE2 3.82Å; I190-F220 HydrophobicContact CG2-CZ 3.97Å
191	V	97.9	Very high	93.9	Very high	15 Å²	15	54 Å²	54	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	115.8	-174.3	-174.6	0	0	0	0	109.5	F91 G118 N119 Y121 K189 K202 P203 E204	F91-V191 WeakPolarHBondContact CE1-O 3.42Å; G118-V191 CarbonylContact C-O 3.56Å; G118-V191 WeakPolarHBondContact CA-O 3.39Å; N119-V191 PolarHBondContact N-O 3.19Å; N119-V191 PolarHBondContact O-N 2.83Å; Y121-V191 HydrophobicContact CD2-CG2 4.3Å; Y121-V191 HydrophobicContact CE2-CG2 4.11Å; K189-V191 HydrophobicContact CD-CG2 4.26Å; K189-V191 HydrophobicContact CG-CG2 4.36Å; V191-K202 HydrophobicContact CG1-CB 4.26Å; V191-P203 WeakPolarHBondContact CA-O 3.38Å; V191-E204 HydrophobicContact CG2-CB 4.26Å; V191-E204 HydrophobicContact CG2-CG 3.93Å; V191-E204 WeakPolarHBondContact CG2-OE2 3.38Å
192	G	96.9	Very high	94	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	161.7	173.6	0	0	0	0	0	112.6	Y92 K202 P203	Y92-G192 VanDerWaalsContact CE2-N 3.25Å; G192-K202 VanDerWaalsContact O-CA 3.27Å; G192-K202 WeakPolarHBondContact O-CA 3.3Å; G192-P203 PolarHBondContact N-O 3.49Å
193	I	95.7	Very high	94.2	Very high	39 Å²	39	52.5 Å²	52.5	20%	0.2	28%	0.284	C	S	.	.			trans	-124.8	110.5	168.8	-59.7	171.9	0	0	0	108.6	I117 L200	I117-I193 PolarHBondContact O-N 3.02Å; I193-L200 HydrophobicContact CG2-CD1 4.3Å; I193-L200 HydrophobicContact CG2-CD2 4.19Å
194	I	92.4	Very high	94.2	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.046	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.2	-179.3	-64.5	174.3	0	0	0	109.1	N27 I29 Y54 L200 K201 P203	N27-I194 HydrophobicContact CB-CG2 4.07Å; N27-I194 VanDerWaalsContact ND2-CG2 3.26Å; N27-I194 WeakPolarHBondContact ND2-CG2 3.12Å; I29-I194 HydrophobicContact CG2-CB 4.44Å; I29-I194 HydrophobicContact CG2-CD1 3.75Å; I29-I194 HydrophobicContact CG2-CG2 3.99Å; Y54-I194 HydrophobicContact CE1-CD1 3.86Å; I194-L200 WeakPolarHBondContact O-CA 3.43Å; I194-K201 HydrophobicContact CB-CB 4.25Å; I194-K201 PolarHBondContact N-O 3.16Å; I194-K201 PolarHBondContact O-N 3.22Å; I194-P203 HydrophobicContact CD1-CG 3.86Å; I194-P203 HydrophobicContact CG1-CG 4.46Å
195	R	90.3	Very high	94.4	Very high	139 Å²	139	47.3 Å²	47.3	53%	0.525	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.1	176.4	-65	-178.5	176.2	109.8	-8.6	109.7	S115 L200	S115-R195 PolarHBondContact OG-NH2 3.32Å; S115-R195 VanDerWaalsContact OG-NH2 3.14Å; R195-L200 HydrophobicContact CB-CD2 4.33Å; R195-L200 HydrophobicContact CG-CD2 3.64Å
196	C	90.2	Very high	94.5	Very high	23 Å²	23	48.2 Å²	48.2	16%	0.155	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	164.8	172.9	-56.1	0	0	0	0	110	C30 G198 G199 K201	C30-C196 WeakPolarHBondContact CA-SG 3.07Å; C30-C196 HydrophobicContact CB-CB 3.73Å; C30-C196 WeakPolarHBondContact CB-SG 3.25Å; C30-C196 WeakPolarHBondContact SG-CB 3.46Å; C30-C196 CovalentContact SG-SG 2.04Å; C30-C196 PolarHBondContact SG-SG 3.37Å; C196-G198 PolarHBondContact O-N 3.42Å; C196-G199 CarbonylContact C-O 3.54Å; C196-G199 WeakPolarHBondContact CA-O 3.07Å; C196-G199 WeakPolarHBondContact CB-O 3.37Å; C196-G199 PolarHBondContact N-O 2.8Å; C196-G199 PolarHBondContact O-N 3.22Å; C196-G199 VanDerWaalsContact O-N 3.14Å; C196-G199 VanDerWaalsContact O-O 3.06Å; C196-K201 VanDerWaalsContact SG-CG 3.51Å
197	E	85.6	Confident	94.5	Very high	167 Å²	167	48.1 Å²	48.1	78%	0.78	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.8	178.3	-173.1	173.2	-178	0	0	112.9
198	G	85.5	Confident	94.6	Very high	88 Å²	88	47 Å²	47	91%	0.907	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	4	178.8	0	0	0	0	0	115.8	C196	C196-G198 PolarHBondContact O-N 3.42Å
199	G	90.5	Very high	94.5	Very high	37 Å²	37	48.1 Å²	48.1	38%	0.381	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.6	-166.7	-177.6	0	0	0	0	0	113.6	C196	C196-G199 CarbonylContact C-O 3.54Å; C196-G199 WeakPolarHBondContact CA-O 3.07Å; C196-G199 WeakPolarHBondContact CB-O 3.37Å; C196-G199 PolarHBondContact N-O 2.8Å; C196-G199 PolarHBondContact O-N 3.22Å; C196-G199 VanDerWaalsContact O-N 3.14Å; C196-G199 VanDerWaalsContact O-O 3.06Å
200	L	91.8	Very high	94.4	Very high	101 Å²	101	50.5 Å²	50.5	53%	0.529	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134	178.6	-59.7	180	0	0	0	110.6	I193 I194 R195	I193-L200 HydrophobicContact CG2-CD1 4.3Å; I193-L200 HydrophobicContact CG2-CD2 4.19Å; I194-L200 WeakPolarHBondContact O-CA 3.43Å; R195-L200 HydrophobicContact CB-CD2 4.33Å; R195-L200 HydrophobicContact CG-CD2 3.64Å
201	K	93.9	Very high	94.4	Very high	51 Å²	51	51 Å²	51	22%	0.222	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136	167.4	-69.8	-55.6	-162.8	171	0	109.7	I29 E36 I194 C196 P203	I29-K201 HydrophobicContact CD1-CB 4.18Å; I29-K201 HydrophobicContact CG1-CB 4.3Å; I29-K201 HydrophobicContact CG1-CG 4.42Å; E36-K201 WeakPolarHBondContact OE2-CD 3.47Å; E36-K201 IonicContact OE2-NZ 2.85Å; E36-K201 PolarHBondContact OE2-NZ 2.86Å; I194-K201 HydrophobicContact CB-CB 4.25Å; I194-K201 PolarHBondContact N-O 3.16Å; I194-K201 PolarHBondContact O-N 3.22Å; C196-K201 VanDerWaalsContact SG-CG 3.51Å; K201-P203 WeakPolarHBondContact O-CD 3.45Å
202	K	95.4	Very high	94.4	Very high	114 Å²	114	50.2 Å²	50.2	50%	0.496	28%	0.277	S	S	.	.			trans	-124	73.4	-176.2	-64.7	-175.9	-178.3	-177.3	0	110.3	E36 V191 G192 E204	E36-K202 PolarHBondContact OE1-N 3.11Å; V191-K202 HydrophobicContact CG1-CB 4.26Å; G192-K202 VanDerWaalsContact O-CA 3.27Å; G192-K202 WeakPolarHBondContact O-CA 3.3Å; K202-E204 PolarHBondContact O-N 2.65Å
203	P	96.6	Very high	94.4	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.019	29%	0.294	C	S	.	.			trans	-58.3	130.7	175	26.7	-34.4	0	0	0	109.5	I29 E36 Y54 Y92 V191 G192 I194 K201	I29-P203 HydrophobicContact CD1-CB 3.77Å; I29-P203 HydrophobicContact CD1-CG 4.04Å; E36-P203 WeakPolarHBondContact O-CA 3.48Å; Y54-P203 HydrophobicContact CD1-CB 4.31Å; Y92-P203 HydrophobicContact CD1-CB 4.28Å; Y92-P203 HydrophobicContact CD1-CG 3.63Å; Y92-P203 HydrophobicContact CE1-CB 3.66Å; Y92-P203 HydrophobicContact CE1-CG 3.47Å; Y92-P203 VanDerWaalsContact CE1-CG 3.47Å; Y92-P203 HydrophobicContact CG-CG 4.37Å; Y92-P203 PolarHBondContact OH-O 3.37Å; V191-P203 WeakPolarHBondContact CA-O 3.38Å; G192-P203 PolarHBondContact N-O 3.49Å; I194-P203 HydrophobicContact CD1-CG 3.86Å; I194-P203 HydrophobicContact CG1-CG 4.46Å; K201-P203 WeakPolarHBondContact O-CD 3.45Å
204	E	96.5	Very high	94.5	Very high	62 Å²	62	54.7 Å²	54.7	29%	0.29	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.5	-177.3	176	173.1	120.4	0	0	109.6	E36 K189 I190 V191 K202 S206	E36-E204 PolarHBondContact O-N 3.38Å; K189-E204 HydrophobicContact CD-CG 4.13Å; K189-E204 WeakPolarHBondContact CD-OE2 3.39Å; K189-E204 IonicContact NZ-OE1 3.55Å; K189-E204 PolarHBondContact NZ-OE1 2.99Å; K189-E204 IonicContact NZ-OE2 3.17Å; K189-E204 PolarHBondContact NZ-OE2 3.24Å; I190-E204 WeakPolarHBondContact O-CA 3.32Å; V191-E204 HydrophobicContact CG2-CB 4.26Å; V191-E204 HydrophobicContact CG2-CG 3.93Å; V191-E204 WeakPolarHBondContact CG2-OE2 3.38Å; K202-E204 PolarHBondContact O-N 2.65Å; E204-S206 PolarHBondContact OE1-OG 3.15Å
205	I	98	Very high	94.8	Very high	5 Å²	5	55 Å²	55	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	114.5	169.4	-52.8	171.4	0	0	0	107.7	H53 Y56 M58 K189 I190 F220	H53-I205 HydrophobicContact CB-CD1 3.37Å; H53-I205 HydrophobicContact CB-CG1 3.73Å; Y56-I205 HydrophobicContact CD2-CD1 4.09Å; Y56-I205 HydrophobicContact CG-CD1 4.33Å; M58-I205 HydrophobicContact SD-CG2 4.12Å; K189-I205 CarbonylContact C-O 3.47Å; K189-I205 WeakPolarHBondContact CA-O 3.3Å; K189-I205 VanDerWaalsContact CB-O 3.31Å; K189-I205 WeakPolarHBondContact CB-O 3.43Å; I190-I205 HydrophobicContact CD1-CD1 4.03Å; I190-I205 HydrophobicContact CG1-CB 3.91Å; I190-I205 HydrophobicContact CG1-CD1 4.22Å; I190-I205 HydrophobicContact CG1-CG1 4.29Å; I190-I205 PolarHBondContact N-O 2.99Å; I190-I205 PolarHBondContact O-N 3.34Å; I205-F220 HydrophobicContact CB-CE1 4.26Å; I205-F220 HydrophobicContact CG2-CD1 4.45Å; I205-F220 HydrophobicContact CG2-CE1 3.75Å
206	S	97.8	Very high	95.1	Very high	48 Å²	48	48.4 Å²	48.4	34%	0.336	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131	179.9	-71.6	0	0	0	0	110.5	K189 E204 P208	K189-S206 WeakPolarHBondContact CB-OG 3.47Å; E204-S206 PolarHBondContact OE1-OG 3.15Å; S206-P208 WeakPolarHBondContact O-CD 2.99Å
207	V	98.4	Very high	95.5	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.042	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-72	124.3	172.1	-177.4	0	0	0	0	107.5	M58 I60 F172 S188 A209 W211 I212 V218 F220	M58-V207 HydrophobicContact SD-CG2 4.23Å; I60-V207 HydrophobicContact CD1-CG1 4.08Å; F172-V207 HydrophobicContact CD2-CG2 4.08Å; F172-V207 HydrophobicContact CE2-CG2 4.39Å; S188-V207 WeakPolarHBondContact O-CB 3.43Å; S188-V207 WeakPolarHBondContact O-CG2 3.48Å; S188-V207 PolarHBondContact O-N 3.32Å; V207-A209 PolarHBondContact O-N 2.97Å; V207-W211 HydrophobicContact CG1-CB 4.26Å; V207-I212 HydrophobicContact CB-CD1 4.41Å; V207-I212 HydrophobicContact CB-CG1 4.37Å; V207-I212 HydrophobicContact CG1-CD1 4.45Å; V207-I212 HydrophobicContact CG1-CG1 3.89Å; V207-V218 HydrophobicContact CG1-CG2 3.84Å; V207-V218 HydrophobicContact CG2-CB 4.45Å; V207-V218 HydrophobicContact CG2-CG1 3.92Å; V207-V218 HydrophobicContact CG2-CG2 4.04Å; V207-F220 HydrophobicContact CG2-CZ 3.98Å
208	P	97.9	Very high	96.1	Very high	34 Å²	34	40.1 Å²	40.1	22%	0.221	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-63.2	128.9	179	-13.6	23.9	0	0	0	110.2	S206 K210 W211	S206-P208 WeakPolarHBondContact O-CD 2.99Å; P208-K210 HydrophobicContact CB-CG 4.46Å; P208-K210 PolarHBondContact O-N 2.82Å; P208-W211 WeakPolarHBondContact O-CB 3.23Å; P208-W211 PolarHBondContact O-N 3.13Å
209	A	97.6	Very high	96.7	Very high	24 Å²	24	37 Å²	37	20%	0.198	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-52.9	-35.2	-170.2	0	0	0	0	0	114.4	E183 L186 V207 W211 I212	E183-A209 HydrophobicContact CB-CB 3.77Å; E183-A209 HydrophobicContact CG-CB 4.34Å; E183-A209 VanDerWaalsContact O-CB 3.27Å; E183-A209 WeakPolarHBondContact O-CB 3.37Å; L186-A209 HydrophobicContact CB-CB 4.41Å; V207-A209 PolarHBondContact O-N 2.97Å; A209-W211 PolarHBondContact O-N 3.33Å; A209-I212 WeakPolarHBondContact O-CB 3.36Å; A209-I212 PolarHBondContact O-N 2.85Å
210	K	96.3	Very high	97.1	Very high	95 Å²	95	35.3 Å²	35.3	41%	0.413	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-55.2	-21.7	174.9	72.1	176.4	-173.7	172.3	0	115	E44 E183 P208 K213	E44-K210 WeakPolarHBondContact OE1-CE 3.36Å; E44-K210 IonicContact OE1-NZ 2.62Å; E44-K210 PolarHBondContact OE1-NZ 2.91Å; E183-K210 WeakPolarHBondContact OE1-CA 3.32Å; P208-K210 HydrophobicContact CB-CG 4.46Å; P208-K210 PolarHBondContact O-N 2.82Å; K210-K213 WeakPolarHBondContact O-CD 3.27Å; K210-K213 WeakPolarHBondContact O-CE 3Å; K210-K213 PolarHBondContact O-NZ 3.29Å
211	W	97.7	Very high	97.2	Very high	9 Å²	9	31.8 Å²	31.8	3%	0.034	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-91.8	-16.4	178	-72.3	101.1	0	0	0	113.7	E44 N45 R49 I60 R62 V207 P208 A209 K213 S216	E44-W211 HydrophobicContact CG-CZ2 4.01Å; E44-W211 PolarHBondContact OE1-NE1 2.75Å; N45-W211 WeakPolarHBondContact O-CH2 3.36Å; N45-W211 VanDerWaalsContact O-CZ2 3.28Å; N45-W211 WeakPolarHBondContact O-CZ2 3.42Å; R49-W211 HydrophobicContact CB-CH2 4.06Å; R49-W211 HydrophobicContact CB-CZ2 3.66Å; I60-W211 HydrophobicContact CB-CD2 4.35Å; I60-W211 HydrophobicContact CB-CE3 4.08Å; I60-W211 HydrophobicContact CB-CZ3 4.48Å; I60-W211 HydrophobicContact CD1-CB 3.98Å; I60-W211 HydrophobicContact CD1-CD2 4.21Å; I60-W211 HydrophobicContact CD1-CG 3.82Å; I60-W211 HydrophobicContact CG2-CB 4.06Å; I60-W211 HydrophobicContact CG2-CD2 3.85Å; I60-W211 HydrophobicContact CG2-CE3 3.37Å; I60-W211 HydrophobicContact CG2-CG 4.14Å; I60-W211 HydrophobicContact CG2-CZ3 4.07Å; R62-W211 HydrophobicContact CG-CE3 4Å; R62-W211 HydrophobicContact CG-CZ3 3.68Å; V207-W211 HydrophobicContact CG1-CB 4.26Å; P208-W211 WeakPolarHBondContact O-CB 3.23Å; P208-W211 PolarHBondContact O-N 3.13Å; A209-W211 PolarHBondContact O-N 3.33Å; W211-K213 VanDerWaalsContact C-N 3.32Å; W211-K213 PolarHBondContact O-N 2.92Å; W211-S216 WeakPolarHBondContact O-CB 3.39Å; W211-S216 PolarHBondContact O-OG 2.97Å
212	I	98	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.			trans	-78.8	82.5	177.9	-55	176.9	0	0	0	108.2	M160 Y174 I177 L186 V207 A209	M160-I212 HydrophobicContact CE-CG2 3.8Å; Y174-I212 HydrophobicContact CD1-CG2 3.79Å; Y174-I212 HydrophobicContact CD2-CG2 4.44Å; Y174-I212 HydrophobicContact CE1-CB 4.46Å; Y174-I212 HydrophobicContact CE1-CG1 4.36Å; Y174-I212 HydrophobicContact CE1-CG2 3.69Å; Y174-I212 HydrophobicContact CE2-CB 4.39Å; Y174-I212 HydrophobicContact CE2-CG1 4.29Å; Y174-I212 HydrophobicContact CE2-CG2 4.34Å; Y174-I212 HydrophobicContact CG-CG2 4.17Å; I177-I212 HydrophobicContact CD1-CG2 4.27Å; I177-I212 HydrophobicContact CG1-CG2 4.46Å; L186-I212 HydrophobicContact CB-CB 4.12Å; L186-I212 HydrophobicContact CB-CD1 3.85Å; L186-I212 HydrophobicContact CB-CG2 4.04Å; L186-I212 HydrophobicContact CD1-CB 4.05Å; L186-I212 HydrophobicContact CD1-CG2 4.19Å; L186-I212 WeakPolarHBondContact CD1-O 3.44Å; L186-I212 HydrophobicContact CD2-CG2 4.04Å; L186-I212 HydrophobicContact CG-CG2 4.33Å; V207-I212 HydrophobicContact CB-CD1 4.41Å; V207-I212 HydrophobicContact CB-CG1 4.37Å; V207-I212 HydrophobicContact CG1-CD1 4.45Å; V207-I212 HydrophobicContact CG1-CG1 3.89Å; A209-I212 WeakPolarHBondContact O-CB 3.36Å; A209-I212 PolarHBondContact O-N 2.85Å
213	K	97.1	Very high	96.9	Very high	81 Å²	81	26.4 Å²	26.4	35%	0.352	15%	0.147	S	C	.	.	S	Bend	trans	-140	155.5	-176.4	-67.8	-178	176.7	167.6	0	109.6	R62 Y174 K210 W211 G215 S216	R62-K213 VanDerWaalsContact NH2-CD 3.29Å; Y174-K213 WeakPolarHBondContact CB-O 3.34Å; K210-K213 WeakPolarHBondContact O-CD 3.27Å; K210-K213 WeakPolarHBondContact O-CE 3Å; K210-K213 PolarHBondContact O-NZ 3.29Å; W211-K213 VanDerWaalsContact C-N 3.32Å; W211-K213 PolarHBondContact O-N 2.92Å; K213-G215 PolarHBondContact O-N 3.4Å; K213-S216 VanDerWaalsContact O-CB 3.29Å; K213-S216 WeakPolarHBondContact O-CB 2.97Å; K213-S216 PolarHBondContact O-N 2.91Å; K213-S216 PolarHBondContact O-OG 3.48Å
214	S	97.7	Very high	96.5	Very high	52 Å²	52	27 Å²	27	36%	0.364	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	131	176.1	-53.5	0	0	0	0	111.6	Y174 I177 S216	Y174-S214 CarbonylContact O-C 3.44Å; Y174-S214 WeakPolarHBondContact O-CA 3.5Å; I177-S214 PolarHBondContact N-OG 3.02Å; I177-S214 PolarHBondContact O-OG 2.65Å; S214-S216 VanDerWaalsContact C-N 3.31Å; S214-S216 PolarHBondContact O-N 3.39Å
215	G	97.4	Very high	95.8	Very high	15 Å²	15	30.1 Å²	30.1	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	12	-179	0	0	0	0	0	114.9	R62 N63 Q64 Y174 K213	R62-G215 CarbonylContact C-O 3.57Å; N63-G215 PolarHBondContact N-O 2.8Å; Q64-G215 PolarHBondContact N-O 3.39Å; Y174-G215 PolarHBondContact O-N 2.85Å; K213-G215 PolarHBondContact O-N 3.4Å
216	S	98.2	Very high	95.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137	168.3	-73.6	0	0	0	0	110.5	Q61 Y174 W211 K213 S214	Q61-S216 CarbonylContact O-C 3.53Å; Q61-S216 WeakPolarHBondContact O-CA 3.37Å; Y174-S216 VanDerWaalsContact CD2-O 3.28Å; Y174-S216 WeakPolarHBondContact CD2-O 3.44Å; Y174-S216 PolarHBondContact N-O 2.68Å; Y174-S216 VanDerWaalsContact N-O 3.11Å; W211-S216 WeakPolarHBondContact O-CB 3.39Å; W211-S216 PolarHBondContact O-OG 2.97Å; K213-S216 VanDerWaalsContact O-CB 3.29Å; K213-S216 WeakPolarHBondContact O-CB 2.97Å; K213-S216 PolarHBondContact O-N 2.91Å; K213-S216 PolarHBondContact O-OG 3.48Å; S214-S216 VanDerWaalsContact C-N 3.31Å; S214-S216 PolarHBondContact O-N 3.39Å
217	L	98.4	Very high	94.9	Very high	17 Å²	17	32 Å²	32	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.1	172.2	178.8	67.7	0	0	0	108.8	I60 Q61 Q64 F172 H173 E219	I60-L217 CarbonylContact C-O 3.57Å; I60-L217 WeakPolarHBondContact CA-O 3.47Å; Q61-L217 PolarHBondContact N-O 2.77Å; Q61-L217 PolarHBondContact O-N 3.3Å; Q64-L217 HydrophobicContact CB-CB 3.84Å; Q64-L217 HydrophobicContact CG-CB 3.74Å; Q64-L217 HydrophobicContact CG-CD2 4.35Å; F172-L217 WeakPolarHBondContact O-CA 3.17Å; H173-L217 HydrophobicContact CB-CD1 4.1Å; L217-E219 HydrophobicContact CD2-CG 4.12Å; L217-E219 HydrophobicContact CG-CG 4.07Å
218	V	98.6	Very high	94.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.7	172.1	-176.4	0	0	0	0	107.9	M58 R59 I60 S171 F172 Y174 V207 F220	M58-V218 HydrophobicContact CG-CG1 3.74Å; M58-V218 HydrophobicContact SD-CG1 3.98Å; R59-V218 CarbonylContact O-C 3.48Å; R59-V218 WeakPolarHBondContact O-CA 3.44Å; I60-V218 HydrophobicContact CD1-CG2 4.44Å; I60-V218 HydrophobicContact CG1-CG1 4.26Å; I60-V218 HydrophobicContact CG1-CG2 4.14Å; I60-V218 HydrophobicContact CG2-CG2 4.12Å; S171-V218 CarbonylContact C-O 3.59Å; S171-V218 WeakPolarHBondContact CA-O 3.43Å; S171-V218 WeakPolarHBondContact CB-O 3.32Å; F172-V218 HydrophobicContact CB-CB 4.21Å; F172-V218 PolarHBondContact N-O 2.84Å; F172-V218 PolarHBondContact O-N 2.89Å; Y174-V218 HydrophobicContact CE2-CG2 3.81Å; V207-V218 HydrophobicContact CG1-CG2 3.84Å; V207-V218 HydrophobicContact CG2-CB 4.45Å; V207-V218 HydrophobicContact CG2-CG1 3.92Å; V207-V218 HydrophobicContact CG2-CG2 4.04Å; V218-F220 HydrophobicContact CG1-CD2 4.28Å; V218-F220 HydrophobicContact CG1-CE1 4.25Å; V218-F220 HydrophobicContact CG1-CE2 3.62Å; V218-F220 HydrophobicContact CG1-CZ 3.6Å
219	E	97.7	Very high	93.9	Very high	23 Å²	23	37.6 Å²	37.6	11%	0.107	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127	175.2	-58.1	-173.9	116.2	0	0	109.8	M58 R59 K169 L217	M58-E219 WeakPolarHBondContact CA-O 3.47Å; R59-E219 HydrophobicContact CB-CB 4.46Å; R59-E219 PolarHBondContact N-O 3.02Å; R59-E219 IonicContact NH1-OE2 2.65Å; R59-E219 PolarHBondContact NH1-OE2 3.01Å; R59-E219 PolarHBondContact O-N 3.07Å; K169-E219 HydrophobicContact CD-CB 4.36Å; K169-E219 HydrophobicContact CD-CG 4.47Å; K169-E219 IonicContact NZ-OE1 3.52Å; K169-E219 PolarHBondContact NZ-OE1 2.87Å; L217-E219 HydrophobicContact CD2-CG 4.12Å; L217-E219 HydrophobicContact CG-CG 4.07Å
220	F	97.8	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.7	170.1	-56.1	-85.2	0	0	0	109.1	Y56 S57 M58 K169 L170 F172 I190 I205 V207 V218	Y56-F220 HydrophobicContact CD1-CB 4.05Å; Y56-F220 HydrophobicContact CG-CB 4.45Å; S57-F220 VanDerWaalsContact O-CA 3.3Å; S57-F220 WeakPolarHBondContact O-CA 3.5Å; M58-F220 HydrophobicContact CB-CD1 4.04Å; M58-F220 HydrophobicContact CB-CE1 4.05Å; M58-F220 HydrophobicContact CG-CD1 4.11Å; M58-F220 HydrophobicContact CG-CE1 3.75Å; M58-F220 HydrophobicContact CG-CZ 4.36Å; M58-F220 HydrophobicContact SD-CE1 3.68Å; M58-F220 HydrophobicContact SD-CZ 4.08Å; K169-F220 WeakPolarHBondContact CA-O 3.32Å; L170-F220 HydrophobicContact CB-CB 4.29Å; L170-F220 HydrophobicContact CB-CD2 4.47Å; L170-F220 HydrophobicContact CD2-CD2 3.92Å; L170-F220 HydrophobicContact CD2-CG 4.49Å; L170-F220 HydrophobicContact CG-CD2 4.11Å; L170-F220 PolarHBondContact N-O 2.79Å; L170-F220 VanDerWaalsContact N-O 3.07Å; L170-F220 PolarHBondContact O-N 2.62Å; F172-F220 AromaticContact CD2-CE2 3.73Å; F172-F220 HydrophobicContact CD2-CE2 3.73Å; F172-F220 HydrophobicContact CD2-CZ 4.25Å; F172-F220 AromaticContact CE2-CE2 3.61Å; F172-F220 HydrophobicContact CE2-CE2 3.61Å; F172-F220 HydrophobicContact CE2-CZ 4Å; F172-F220 HydrophobicContact CG-CE2 4.32Å; F172-F220 HydrophobicContact CZ-CE2 4.13Å; I190-F220 HydrophobicContact CD1-CB 4.42Å; I190-F220 HydrophobicContact CD1-CD1 3.9Å; I190-F220 HydrophobicContact CD1-CE1 4.31Å; I190-F220 HydrophobicContact CD1-CG 4.08Å; I190-F220 HydrophobicContact CG1-CD1 4.43Å; I190-F220 HydrophobicContact CG1-CE1 4.35Å; I190-F220 HydrophobicContact CG2-CD2 4.12Å; I190-F220 HydrophobicContact CG2-CE1 4.4Å; I190-F220 HydrophobicContact CG2-CE2 3.82Å; I190-F220 HydrophobicContact CG2-CZ 3.97Å; I205-F220 HydrophobicContact CB-CE1 4.26Å; I205-F220 HydrophobicContact CG2-CD1 4.45Å; I205-F220 HydrophobicContact CG2-CE1 3.75Å; V207-F220 HydrophobicContact CG2-CZ 3.98Å; V218-F220 HydrophobicContact CG1-CD2 4.28Å; V218-F220 HydrophobicContact CG1-CE1 4.25Å; V218-F220 HydrophobicContact CG1-CE2 3.62Å; V218-F220 HydrophobicContact CG1-CZ 3.6Å
221	E	94.8	Very high	93.4	Very high	28 Å²	28	41.7 Å²	41.7	13%	0.131	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.1	179.4	-166.3	179.9	173.9	0	0	110.2	Y56 S57 I223 K267	Y56-E221 CarbonylContact C-O 3.54Å; Y56-E221 WeakPolarHBondContact CA-O 3.32Å; S57-E221 PolarHBondContact N-O 3Å; S57-E221 PolarHBondContact O-N 2.61Å; E221-I223 PolarHBondContact O-N 3.03Å; E221-K267 VanDerWaalsContact CD-NZ 3.32Å; E221-K267 WeakPolarHBondContact OE1-CE 3.26Å; E221-K267 IonicContact OE1-NZ 3.59Å; E221-K267 PolarHBondContact OE1-NZ 3.03Å; E221-K267 WeakPolarHBondContact OE2-CE 3.22Å; E221-K267 IonicContact OE2-NZ 3.76Å
222	V	92.7	Very high	93.2	Very high	41 Å²	41	43.7 Å²	43.7	25%	0.248	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	131.9	-179.7	176.7	0	0	0	0	109.9	Y55 Y56	Y55-V222 HydrophobicContact CD1-CG1 4.21Å; Y55-V222 HydrophobicContact CE1-CG1 3.62Å; Y55-V222 HydrophobicContact CE1-CG2 4.29Å; Y56-V222 HydrophobicContact CD1-CG2 4.12Å; Y56-V222 HydrophobicContact CE1-CG2 3.56Å
223	I	90.4	Very high	93	Very high	11 Å²	11	45.5 Å²	45.5	6%	0.056	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-85	118.2	171.8	-62.5	173.9	0	0	0	108.4	L52 Y55 Y56 E221 S228	L52-I223 HydrophobicContact CD2-CD1 4.09Å; Y55-I223 PolarHBondContact O-N 3.31Å; Y56-I223 VanDerWaalsContact C-CD1 3.47Å; Y56-I223 WeakPolarHBondContact O-CD1 3.13Å; E221-I223 PolarHBondContact O-N 3.03Å; I223-S228 WeakPolarHBondContact CG2-OG 3.48Å
224	G	86.9	Confident	92.9	Very high	15 Å²	15	48.3 Å²	48.3	16%	0.155	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.3	136.2	176.2	0	0	0	0	0	112.9	S228 E257	G224-S228 WeakPolarHBondContact O-CB 3.25Å; G224-S228 PolarHBondContact O-OG 2.83Å; G224-E257 WeakPolarHBondContact CA-OE2 3.08Å
225	E	83.4	Confident	92.8	Very high	128 Å²	128	48.3 Å²	48.3	60%	0.598	26%	0.256	S	S	*	.	H	α-helix	trans	-77.8	-29	-175.8	-65.7	178.8	-176.2	0	0	112.5	S228 Q229	E225-S228 PolarHBondContact O-N 2.89Å; E225-Q229 PolarHBondContact O-N 2.83Å
226	I	86	Confident	92.7	Very high	91 Å²	91	47.6 Å²	47.6	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-69.7	-52.2	-172.7	-54.9	173.9	0	0	0	110.7	S228 Q229 Y230 M244	I226-S228 VanDerWaalsContact C-N 3.28Å; I226-S228 PolarHBondContact O-N 2.91Å; I226-Q229 VanDerWaalsContact O-CD 3.28Å; I226-Q229 WeakPolarHBondContact O-CG 3.41Å; I226-Q229 PolarHBondContact O-NE2 3.42Å; I226-Y230 WeakPolarHBondContact O-CE2 3.45Å; I226-M244 HydrophobicContact CB-CE 4.36Å; I226-M244 HydrophobicContact CB-SD 3.54Å; I226-M244 VanDerWaalsContact CB-SD 3.54Å; I226-M244 HydrophobicContact CD1-SD 3.9Å; I226-M244 HydrophobicContact CG1-SD 4.31Å; I226-M244 HydrophobicContact CG2-CE 3.57Å; I226-M244 HydrophobicContact CG2-SD 3.42Å; I226-M244 WeakPolarHBondContact CG2-SD 3.39Å
227	C	90.7	Very high	92.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-35.4	176.5	-62.6	0	0	0	0	111.1	Q229 Y230 C246 C255 E257	C227-Q229 PolarHBondContact O-N 2.04Å; C227-Y230 WeakPolarHBondContact O-CD2 3.34Å; C227-Y230 PolarHBondContact O-N 3.41Å; C227-Y230 VanDerWaalsContact O-N 3.08Å; C227-C246 HydrophobicContact CB-CB 3.82Å; C227-C246 WeakPolarHBondContact CB-SG 3.38Å; C227-C246 WeakPolarHBondContact SG-CA 3.06Å; C227-C246 WeakPolarHBondContact SG-CB 3.43Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 2.94Å; C227-C255 WeakPolarHBondContact O-CB 2.98Å; C227-C255 PolarHBondContact O-SG 2.97Å; C227-E257 HydrophobicContact CB-CB 3.98Å; C227-E257 VanDerWaalsContact SG-CA 3.56Å
228	S	88	Confident	92.1	Very high	34 Å²	34	60.9 Å²	60.9	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-18.3	-176.9	-68.1	0	0	0	0	114.6	I223 G224 E225 I226 Y230 K254 C255	I223-S228 WeakPolarHBondContact CG2-OG 3.48Å; G224-S228 WeakPolarHBondContact O-CB 3.25Å; G224-S228 PolarHBondContact O-OG 2.83Å; E225-S228 PolarHBondContact O-N 2.89Å; I226-S228 VanDerWaalsContact C-N 3.28Å; I226-S228 PolarHBondContact O-N 2.91Å; S228-Y230 VanDerWaalsContact C-N 3.28Å; S228-Y230 PolarHBondContact O-N 2.83Å; S228-K254 WeakPolarHBondContact OG-CE 3.49Å; S228-C255 WeakPolarHBondContact CA-O 3.32Å
229	Q	86.8	Confident	91.8	Very high	125 Å²	125	61.2 Å²	61.2	58%	0.584	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.8	177.1	82.1	-165	-18	0	0	113.7	E225 I226 C227	E225-Q229 PolarHBondContact O-N 2.83Å; I226-Q229 VanDerWaalsContact O-CD 3.28Å; I226-Q229 WeakPolarHBondContact O-CG 3.41Å; I226-Q229 PolarHBondContact O-NE2 3.42Å; C227-Q229 PolarHBondContact O-N 2.04Å
230	Y	91.1	Very high	91.6	Very high	73 Å²	73	63 Å²	63	29%	0.286	32%	0.323	S	S	.	.			trans	-88.5	121.5	-179	-58.7	-78	0	0	0	110.5	I226 C227 S228 A239 C255	I226-Y230 WeakPolarHBondContact O-CE2 3.45Å; C227-Y230 WeakPolarHBondContact O-CD2 3.34Å; C227-Y230 PolarHBondContact O-N 3.41Å; C227-Y230 VanDerWaalsContact O-N 3.08Å; S228-Y230 VanDerWaalsContact C-N 3.28Å; S228-Y230 PolarHBondContact O-N 2.83Å; Y230-A239 HydrophobicContact CD1-CB 4.38Å; Y230-A239 HydrophobicContact CD2-CB 3.48Å; Y230-A239 VanDerWaalsContact CD2-CB 3.48Å; Y230-A239 HydrophobicContact CE1-CB 4.07Å; Y230-A239 HydrophobicContact CE2-CB 3.13Å; Y230-A239 HydrophobicContact CG-CB 4.1Å; Y230-A239 VanDerWaalsContact CZ-CB 3.43Å; Y230-C255 VanDerWaalsContact O-CB 3.29Å; Y230-C255 WeakPolarHBondContact O-CB 3.34Å
231	N	91.9	Very high	91.2	Very high	132 Å²	132	66.5 Å²	66.5	71%	0.706	35%	0.345	S	S	*	.			trans	-103.8	5.9	-170.7	66.5	-6.5	0	0	0	114.3	W248	N231-W248 VanDerWaalsContact O-CH2 3.27Å; N231-W248 WeakPolarHBondContact O-CH2 3.03Å
232	T	93.6	Very high	90.8	Very high	52 Å²	52	74.1 Å²	74.1	32%	0.319	39%	0.385	S	S	.	.	S	Bend	trans	-131.7	151.5	173.2	71.4	0	0	0	0	111.1	E234 T235 C236	T232-E234 VanDerWaalsContact C-N 3.28Å; T232-E234 PolarHBondContact O-N 2.85Å; T232-T235 PolarHBondContact N-OG1 3.03Å; T232-T235 PolarHBondContact O-N 3.13Å; T232-T235 PolarHBondContact O-OG1 3.26Å; T232-T235 VanDerWaalsContact O-OG1 3.04Å; T232-T235 WeakPolarHBondContact OG1-CB 3.48Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.32Å; T232-T235 PolarHBondContact OG1-N 2.87Å; T232-T235 PolarHBondContact OG1-OG1 2.69Å; T232-C236 VanDerWaalsContact O-CB 3.23Å; T232-C236 WeakPolarHBondContact O-CB 3.32Å; T232-C236 PolarHBondContact O-N 3.35Å
233	S	94.1	Very high	90.6	Very high	38 Å²	38	78 Å²	78	27%	0.266	41%	0.409	S	S	.	.	H	α-helix	trans	-54.5	-44.7	176.7	-176.6	0	0	0	0	112.3	T235 C236 Q237	S233-T235 PolarHBondContact O-N 3.29Å; S233-C236 WeakPolarHBondContact O-CB 3.39Å; S233-C236 PolarHBondContact O-N 2.85Å; S233-Q237 VanDerWaalsContact O-CG 3.32Å; S233-Q237 WeakPolarHBondContact O-CG 3.04Å; S233-Q237 PolarHBondContact O-N 3.44Å
234	E	94.3	Very high	90.6	Very high	139 Å²	139	78.3 Å²	78.3	65%	0.65	41%	0.411	S	S	*	.	H	α-helix	trans	-64.1	-42.8	-178.7	-64.3	159.3	-172	0	0	112.8	T232 K238	T232-E234 VanDerWaalsContact C-N 3.28Å; T232-E234 PolarHBondContact O-N 2.85Å; E234-K238 WeakPolarHBondContact O-CD 3.48Å; E234-K238 VanDerWaalsContact O-CG 3.28Å; E234-K238 WeakPolarHBondContact O-CG 3.4Å; E234-K238 PolarHBondContact O-N 3.21Å
235	T	95.6	Very high	90.9	Very high	52 Å²	52	79.9 Å²	79.9	32%	0.319	42%	0.417	S	S	.	.	H	α-helix	trans	-73.5	-37.2	179.1	55.7	0	0	0	0	111.3	T232 S233 K238 A239	T232-T235 PolarHBondContact N-OG1 3.03Å; T232-T235 PolarHBondContact O-N 3.13Å; T232-T235 PolarHBondContact O-OG1 3.26Å; T232-T235 VanDerWaalsContact O-OG1 3.04Å; T232-T235 WeakPolarHBondContact OG1-CB 3.48Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.32Å; T232-T235 PolarHBondContact OG1-N 2.87Å; T232-T235 PolarHBondContact OG1-OG1 2.69Å; S233-T235 PolarHBondContact O-N 3.29Å; T235-K238 PolarHBondContact O-N 3.34Å; T235-A239 PolarHBondContact O-N 2.89Å; T235-A239 VanDerWaalsContact O-N 3.13Å
236	C	95.3	Very high	91.4	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.7	-48.9	175	179.9	0	0	0	0	112.5	T232 S233 K238 A239 C246 F247 W248 C255	T232-C236 VanDerWaalsContact O-CB 3.23Å; T232-C236 WeakPolarHBondContact O-CB 3.32Å; T232-C236 PolarHBondContact O-N 3.35Å; S233-C236 WeakPolarHBondContact O-CB 3.39Å; S233-C236 PolarHBondContact O-N 2.85Å; C236-K238 VanDerWaalsContact C-N 3.3Å; C236-K238 PolarHBondContact O-N 2.84Å; C236-A239 WeakPolarHBondContact O-CB 3.37Å; C236-A239 PolarHBondContact O-N 2.81Å; C236-A239 VanDerWaalsContact O-N 3.14Å; C236-C246 WeakPolarHBondContact O-CB 3.33Å; C236-F247 PolarHBondContact SG-O 3.25Å; C236-W248 HydrophobicContact CB-CB 4.41Å; C236-W248 HydrophobicContact CB-CE3 3.88Å; C236-C255 WeakPolarHBondContact CA-SG 3.38Å; C236-C255 HydrophobicContact CB-CB 3.56Å; C236-C255 WeakPolarHBondContact CB-SG 3.12Å; C236-C255 VanDerWaalsContact SG-CA 3.52Å; C236-C255 WeakPolarHBondContact SG-CB 3.32Å; C236-C255 CovalentContact SG-SG 2.02Å; C236-C255 PolarHBondContact SG-SG 3.33Å
237	Q	91.9	Very high	91.7	Very high	123 Å²	123	70.8 Å²	70.8	58%	0.575	37%	0.373	S	S	*	.	H	α-helix	trans	-63.1	-37.8	179.3	-72.1	175	-0.4	0	0	112.1	S233 A239	S233-Q237 VanDerWaalsContact O-CG 3.32Å; S233-Q237 WeakPolarHBondContact O-CG 3.04Å; S233-Q237 PolarHBondContact O-N 3.44Å; Q237-A239 VanDerWaalsContact C-N 3.25Å; Q237-A239 PolarHBondContact O-N 3.37Å
238	K	93.6	Very high	91.9	Very high	173 Å²	173	72.9 Å²	72.9	75%	0.752	38%	0.381	S	S	*	.	H	α-helix	trans	-71.8	-16.3	177.2	-71.7	173.4	-176.4	173.4	0	113.8	E234 T235 C236 T240	E234-K238 WeakPolarHBondContact O-CD 3.48Å; E234-K238 VanDerWaalsContact O-CG 3.28Å; E234-K238 WeakPolarHBondContact O-CG 3.4Å; E234-K238 PolarHBondContact O-N 3.21Å; T235-K238 PolarHBondContact O-N 3.34Å; C236-K238 VanDerWaalsContact C-N 3.3Å; C236-K238 PolarHBondContact O-N 2.84Å; K238-T240 VanDerWaalsContact C-N 3.3Å
239	A	92.1	Very high	92.2	Very high	8 Å²	8	71.2 Å²	71.2	7%	0.066	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.2	-179.8	0	0	0	0	0	113.8	Y230 T235 C236 Q237 T241 M244 C246	Y230-A239 HydrophobicContact CD1-CB 4.38Å; Y230-A239 HydrophobicContact CD2-CB 3.48Å; Y230-A239 VanDerWaalsContact CD2-CB 3.48Å; Y230-A239 HydrophobicContact CE1-CB 4.07Å; Y230-A239 HydrophobicContact CE2-CB 3.13Å; Y230-A239 HydrophobicContact CG-CB 4.1Å; Y230-A239 VanDerWaalsContact CZ-CB 3.43Å; T235-A239 PolarHBondContact O-N 2.89Å; T235-A239 VanDerWaalsContact O-N 3.13Å; C236-A239 WeakPolarHBondContact O-CB 3.37Å; C236-A239 PolarHBondContact O-N 2.81Å; C236-A239 VanDerWaalsContact O-N 3.14Å; Q237-A239 VanDerWaalsContact C-N 3.25Å; Q237-A239 PolarHBondContact O-N 3.37Å; A239-T241 WeakPolarHBondContact O-CG2 3.48Å; A239-T241 PolarHBondContact O-N 2.88Å; A239-M244 WeakPolarHBondContact O-CE 3.29Å; A239-C246 HydrophobicContact CB-CB 4.36Å
240	T	91.9	Very high	92.4	Very high	61 Å²	61	70.7 Å²	70.7	37%	0.374	37%	0.367	S	S	.	.			trans	-60.4	133.2	178	-67.8	0	0	0	0	111.2	K238 M244 C246	K238-T240 VanDerWaalsContact C-N 3.3Å; T240-M244 CarbonylContact C-O 3.44Å; T240-M244 WeakPolarHBondContact CA-O 3.24Å; T240-C246 PolarHBondContact OG1-N 3.44Å; T240-C246 PolarHBondContact OG1-O 3.29Å; T240-C246 VanDerWaalsContact OG1-O 3.11Å
241	T	90.1	Very high	92.3	Very high	73 Å²	73	72.6 Å²	72.6	45%	0.448	38%	0.377	S	S	.	.			trans	-126.6	179.4	178.8	68	0	0	0	0	110.2	A239 T243 M244	A239-T241 WeakPolarHBondContact O-CG2 3.48Å; A239-T241 PolarHBondContact O-N 2.88Å; T241-T243 PolarHBondContact O-N 2.96Å; T241-T243 PolarHBondContact OG1-N 2.88Å; T241-M244 PolarHBondContact N-O 3.28Å; T241-M244 PolarHBondContact O-N 2.71Å; T241-M244 VanDerWaalsContact O-O 3.1Å; T241-M244 PolarHBondContact OG1-N 3.03Å
242	L	87.1	Confident	92.2	Very high	187 Å²	187	66.5 Å²	66.5	98%	0.979	35%	0.345	S	S	*	.	S	Bend	trans	-63	-24.6	176.9	-68.6	173.7	0	0	0	113.8
243	T	87	Confident	92	Very high	124 Å²	124	72 Å²	72	76%	0.761	37%	0.365	S	S	*	.	S	Bend	trans	-110.4	-7.3	-176	52.6	0	0	0	0	113.4	T241	T241-T243 PolarHBondContact O-N 2.96Å; T241-T243 PolarHBondContact OG1-N 2.88Å
244	M	90.8	Very high	91.9	Very high	17 Å²	17	72.3 Å²	72.3	8%	0.084	36%	0.361	C	S	.	.			trans	-145.3	123.9	-173.4	-179	-173.5	65.3	0	0	110.5	I226 A239 T240 T241 E257 N259	I226-M244 HydrophobicContact CB-CE 4.36Å; I226-M244 HydrophobicContact CB-SD 3.54Å; I226-M244 VanDerWaalsContact CB-SD 3.54Å; I226-M244 HydrophobicContact CD1-SD 3.9Å; I226-M244 HydrophobicContact CG1-SD 4.31Å; I226-M244 HydrophobicContact CG2-CE 3.57Å; I226-M244 HydrophobicContact CG2-SD 3.42Å; I226-M244 WeakPolarHBondContact CG2-SD 3.39Å; A239-M244 WeakPolarHBondContact O-CE 3.29Å; T240-M244 CarbonylContact C-O 3.44Å; T240-M244 WeakPolarHBondContact CA-O 3.24Å; T241-M244 PolarHBondContact N-O 3.28Å; T241-M244 PolarHBondContact O-N 2.71Å; T241-M244 VanDerWaalsContact O-O 3.1Å; T241-M244 PolarHBondContact OG1-N 3.03Å; M244-E257 HydrophobicContact CG-CG 4Å; M244-N259 WeakPolarHBondContact CA-OD1 3.45Å
245	T	93	Very high	91.9	Very high	48 Å²	48	65.7 Å²	65.7	29%	0.294	33%	0.33	S	S	.	.			trans	-106	121.5	178.8	-57.5	0	0	0	0	109.2	S258 N259	T245-S258 WeakPolarHBondContact CB-O 3.31Å; T245-S258 PolarHBondContact O-N 3.21Å; T245-N259 PolarHBondContact N-OD1 2.87Å
246	C	93.9	Very high	91.8	Very high	7 Å²	7	63.5 Å²	63.5	5%	0.047	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.8	173.7	-58.7	0	0	0	0	110	C227 C236 A239 T240 I256	C227-C246 HydrophobicContact CB-CB 3.82Å; C227-C246 WeakPolarHBondContact CB-SG 3.38Å; C227-C246 WeakPolarHBondContact SG-CA 3.06Å; C227-C246 WeakPolarHBondContact SG-CB 3.43Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 2.94Å; C236-C246 WeakPolarHBondContact O-CB 3.33Å; A239-C246 HydrophobicContact CB-CB 4.36Å; T240-C246 PolarHBondContact OG1-N 3.44Å; T240-C246 PolarHBondContact OG1-O 3.29Å; T240-C246 VanDerWaalsContact OG1-O 3.11Å; C246-I256 WeakPolarHBondContact CA-O 3.5Å
247	F	93.7	Very high	91.6	Very high	20 Å²	20	65.2 Å²	65.2	9%	0.088	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153	169.6	79.7	-83.6	0	0	0	111.3	C236 I256 K267 V268 C271	C236-F247 PolarHBondContact SG-O 3.25Å; F247-I256 HydrophobicContact CD1-CB 4.31Å; F247-I256 WeakPolarHBondContact CD1-O 3.4Å; F247-I256 HydrophobicContact CE1-CB 3.72Å; F247-I256 HydrophobicContact CE1-CG2 3.76Å; F247-I256 HydrophobicContact CZ-CB 3.89Å; F247-I256 HydrophobicContact CZ-CD1 4.19Å; F247-I256 HydrophobicContact CZ-CG2 4.08Å; F247-I256 PolarHBondContact N-O 2.92Å; F247-I256 PolarHBondContact O-N 3.29Å; F247-K267 HydrophobicContact CE1-CB 3.84Å; F247-K267 HydrophobicContact CZ-CB 3.81Å; F247-K267 WeakPolarHBondContact CZ-O 3.18Å; F247-V268 HydrophobicContact CB-CG2 4.5Å; F247-V268 HydrophobicContact CD1-CG2 4.3Å; F247-V268 HydrophobicContact CD2-CG2 3.97Å; F247-V268 HydrophobicContact CE2-CG2 4.27Å; F247-V268 HydrophobicContact CG-CG2 3.98Å; F247-C271 HydrophobicContact CE2-CB 3.79Å; F247-C271 HydrophobicContact CZ-CB 4.5Å
248	W	94.6	Very high	91.6	Very high	44 Å²	44	59.4 Å²	59.4	17%	0.167	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.8	-177.7	-176.5	-105.3	0	0	0	111.6	N231 C236 E250 K253 C255	N231-W248 VanDerWaalsContact O-CH2 3.27Å; N231-W248 WeakPolarHBondContact O-CH2 3.03Å; C236-W248 HydrophobicContact CB-CB 4.41Å; C236-W248 HydrophobicContact CB-CE3 3.88Å; W248-E250 PolarHBondContact NE1-OE2 2.97Å; W248-K253 VanDerWaalsContact CH2-C 3.46Å; W248-K253 WeakPolarHBondContact CH2-O 3.16Å; W248-K253 HydrophobicContact CZ2-CB 4.39Å; W248-C255 HydrophobicContact CE3-CB 4.03Å; W248-C255 HydrophobicContact CZ3-CB 4.25Å
249	C	93.7	Very high	91.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	103.9	174.1	-168.3	0	0	0	0	109.8	G252 K253 K254 I256 C271	C249-G252 CarbonylContact O-C 3.58Å; C249-G252 PolarHBondContact O-N 2.85Å; C249-K253 WeakPolarHBondContact O-CA 3.49Å; C249-K253 PolarHBondContact O-N 2.88Å; C249-K254 VanDerWaalsContact CB-O 3.32Å; C249-K254 WeakPolarHBondContact CB-O 3.38Å; C249-K254 PolarHBondContact N-O 2.7Å; C249-K254 PolarHBondContact O-N 3.18Å; C249-I256 HydrophobicContact CB-CD1 3.75Å; C249-I256 HydrophobicContact CB-CG1 4.28Å; C249-C271 HydrophobicContact CB-CB 3.73Å; C249-C271 WeakPolarHBondContact CB-SG 3.12Å; C249-C271 WeakPolarHBondContact SG-CB 3.34Å; C249-C271 CovalentContact SG-SG 2.04Å; C249-C271 PolarHBondContact SG-SG 3.11Å
250	E	91.6	Very high	90.8	Very high	114 Å²	114	57 Å²	57	53%	0.533	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-51	-169.6	-169.4	61	-151.8	0	0	112.6	W248 G252 K253	W248-E250 PolarHBondContact NE1-OE2 2.97Å; E250-G252 VanDerWaalsContact C-N 3.27Å; E250-G252 PolarHBondContact O-N 2.82Å; E250-K253 WeakPolarHBondContact O-CG 3.34Å; E250-K253 PolarHBondContact O-N 3.28Å; E250-K253 VanDerWaalsContact O-N 3.16Å
251	K	89	Confident	90.4	Very high	112 Å²	112	62.5 Å²	62.5	49%	0.487	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.8	177.6	-178.5	162.6	167.4	-166.6	0	112.4	V41 I42 K253	V41-K251 WeakPolarHBondContact O-CE 3.26Å; I42-K251 HydrophobicContact CG2-CB 4.22Å; I42-K251 HydrophobicContact CG2-CG 4.47Å; I42-K251 WeakPolarHBondContact O-CD 3.47Å; I42-K251 WeakPolarHBondContact O-CE 3.35Å; I42-K251 PolarHBondContact O-NZ 2.87Å; K251-K253 VanDerWaalsContact C-N 3.32Å
252	G	88.6	Confident	90.1	Very high	4 Å²	4	66.2 Å²	66.2	4%	0.041	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-21.2	173.6	0	0	0	0	0	113.9	N40 C249 E250 K254	N40-G252 PolarHBondContact ND2-O 2.86Å; C249-G252 CarbonylContact O-C 3.58Å; C249-G252 PolarHBondContact O-N 2.85Å; E250-G252 VanDerWaalsContact C-N 3.27Å; E250-G252 PolarHBondContact O-N 2.82Å; G252-K254 PolarHBondContact O-N 2.85Å
253	K	90.9	Very high	90.1	Very high	167 Å²	167	58.8 Å²	58.8	73%	0.726	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	38.9	-167.4	-60.3	-177	179.6	179.6	0	112.4	W248 C249 E250 K251	W248-K253 VanDerWaalsContact CH2-C 3.46Å; W248-K253 WeakPolarHBondContact CH2-O 3.16Å; W248-K253 HydrophobicContact CZ2-CB 4.39Å; C249-K253 WeakPolarHBondContact O-CA 3.49Å; C249-K253 PolarHBondContact O-N 2.88Å; E250-K253 WeakPolarHBondContact O-CG 3.34Å; E250-K253 PolarHBondContact O-N 3.28Å; E250-K253 VanDerWaalsContact O-N 3.16Å; K251-K253 VanDerWaalsContact C-N 3.32Å
254	K	91.6	Very high	90.1	Very high	45 Å²	45	56 Å²	56	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142	-173.4	-164.3	167.3	-176.7	177.8	0	110.1	L52 S228 C249 G252	L52-K254 HydrophobicContact CD1-CB 4.4Å; L52-K254 HydrophobicContact CD1-CD 4.49Å; S228-K254 WeakPolarHBondContact OG-CE 3.49Å; C249-K254 VanDerWaalsContact CB-O 3.32Å; C249-K254 WeakPolarHBondContact CB-O 3.38Å; C249-K254 PolarHBondContact N-O 2.7Å; C249-K254 PolarHBondContact O-N 3.18Å; G252-K254 PolarHBondContact O-N 2.85Å
255	C	93.6	Very high	90	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.7	170.5	-173.7	0	0	0	0	109.3	C227 S228 Y230 C236 W248	C227-C255 WeakPolarHBondContact O-CB 2.98Å; C227-C255 PolarHBondContact O-SG 2.97Å; S228-C255 WeakPolarHBondContact CA-O 3.32Å; Y230-C255 VanDerWaalsContact O-CB 3.29Å; Y230-C255 WeakPolarHBondContact O-CB 3.34Å; C236-C255 WeakPolarHBondContact CA-SG 3.38Å; C236-C255 HydrophobicContact CB-CB 3.56Å; C236-C255 WeakPolarHBondContact CB-SG 3.12Å; C236-C255 VanDerWaalsContact SG-CA 3.52Å; C236-C255 WeakPolarHBondContact SG-CB 3.32Å; C236-C255 CovalentContact SG-SG 2.02Å; C236-C255 PolarHBondContact SG-SG 3.33Å; W248-C255 HydrophobicContact CE3-CB 4.03Å; W248-C255 HydrophobicContact CZ3-CB 4.25Å
256	I	93.2	Very high	89.8	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.6	-173.3	-60.6	178.3	0	0	0	109.7	L52 C246 F247 C249	L52-I256 HydrophobicContact CD1-CD1 4.15Å; L52-I256 HydrophobicContact CD2-CD1 3.99Å; C246-I256 WeakPolarHBondContact CA-O 3.5Å; F247-I256 HydrophobicContact CD1-CB 4.31Å; F247-I256 WeakPolarHBondContact CD1-O 3.4Å; F247-I256 HydrophobicContact CE1-CB 3.72Å; F247-I256 HydrophobicContact CE1-CG2 3.76Å; F247-I256 HydrophobicContact CZ-CB 3.89Å; F247-I256 HydrophobicContact CZ-CD1 4.19Å; F247-I256 HydrophobicContact CZ-CG2 4.08Å; F247-I256 PolarHBondContact N-O 2.92Å; F247-I256 PolarHBondContact O-N 3.29Å; C249-I256 HydrophobicContact CB-CD1 3.75Å; C249-I256 HydrophobicContact CB-CG1 4.28Å
257	E	92.2	Very high	89.5	Confident	37 Å²	37	58 Å²	58	17%	0.173	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	135	173.8	-166.9	172.8	136.7	0	0	111.6	G224 C227 M244 N259 K267	G224-E257 WeakPolarHBondContact CA-OE2 3.08Å; C227-E257 HydrophobicContact CB-CB 3.98Å; C227-E257 VanDerWaalsContact SG-CA 3.56Å; M244-E257 HydrophobicContact CG-CG 4Å; E257-N259 WeakPolarHBondContact CG-OD1 3.26Å; E257-N259 PolarHBondContact OE1-ND2 3.04Å; E257-K267 PolarHBondContact O-NZ 3.34Å
258	S	90.7	Very high	89.3	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.007	29%	0.292	C	S	.	.			trans	-146.3	57.6	-170	-174.4	0	0	0	0	112.3	T245 H264	T245-S258 WeakPolarHBondContact CB-O 3.31Å; T245-S258 PolarHBondContact O-N 3.21Å; S258-H264 WeakPolarHBondContact CB-ND1 3.45Å; S258-H264 VanDerWaalsContact OG-CA 3.25Å; S258-H264 WeakPolarHBondContact OG-CA 3.38Å; S258-H264 WeakPolarHBondContact OG-CB 3.46Å; S258-H264 PolarHBondContact OG-ND1 3.44Å
259	N	85.6	Confident	89	Confident	70 Å²	70	60.4 Å²	60.4	37%	0.374	31%	0.306	S	S	.	.			trans	-75	-25.2	-174.1	-54.2	-20.8	0	0	0	113.7	M244 T245 E257 Q261	M244-N259 WeakPolarHBondContact CA-OD1 3.45Å; T245-N259 PolarHBondContact N-OD1 2.87Å; E257-N259 WeakPolarHBondContact CG-OD1 3.26Å; E257-N259 PolarHBondContact OE1-ND2 3.04Å; N259-Q261 PolarHBondContact O-N 3.3Å
260	D	84.5	Confident	88.8	Confident	59 Å²	59	60.8 Å²	60.8	32%	0.316	31%	0.308	S	S	.	.			trans	-76.9	112.5	175.6	177.6	4.6	0	0	0	110.1	N262 T263 H264	D260-N262 PolarHBondContact O-N 2.71Å; D260-N262 VanDerWaalsContact OD1-CB 3.32Å; D260-N262 WeakPolarHBondContact OD1-CB 3.45Å; D260-N262 PolarHBondContact OD1-N 2.79Å; D260-N262 PolarHBondContact OD1-ND2 2.8Å; D260-T263 WeakPolarHBondContact CB-OG1 3.35Å; D260-T263 PolarHBondContact O-N 2.77Å; D260-T263 PolarHBondContact O-OG1 3.15Å; D260-T263 WeakPolarHBondContact OD2-CG2 3.27Å; D260-T263 PolarHBondContact OD2-OG1 2.9Å; D260-H264 WeakPolarHBondContact O-CB 3.34Å; D260-H264 PolarHBondContact O-N 2.49Å
261	Q	83.3	Confident	88.7	Confident	178 Å²	178	55.6 Å²	55.6	83%	0.832	29%	0.285	S	S	*	.	H	α-helix	trans	-62.4	-29.2	-179.7	-67.5	-173.8	-15.8	0	0	112.5	N259 T263	N259-Q261 PolarHBondContact O-N 3.3Å; Q261-T263 VanDerWaalsContact C-N 3.35Å
262	N	84.6	Confident	88.4	Confident	150 Å²	150	57.9 Å²	57.9	80%	0.802	29%	0.29	S	S	*	.	H	α-helix	trans	-72.5	-30.9	-179.3	-60	-49.1	0	0	0	112	D260	D260-N262 PolarHBondContact O-N 2.71Å; D260-N262 VanDerWaalsContact OD1-CB 3.32Å; D260-N262 WeakPolarHBondContact OD1-CB 3.45Å; D260-N262 PolarHBondContact OD1-N 2.79Å; D260-N262 PolarHBondContact OD1-ND2 2.8Å
263	T	85.5	Confident	87.2	Confident	32 Å²	32	61.9 Å²	61.9	20%	0.196	31%	0.314	C	S	.	.	H	α-helix	trans	-102.3	-8.6	-179.6	59.6	0	0	0	0	113.1	D260 Q261 G265 L266 K267	D260-T263 WeakPolarHBondContact CB-OG1 3.35Å; D260-T263 PolarHBondContact O-N 2.77Å; D260-T263 PolarHBondContact O-OG1 3.15Å; D260-T263 WeakPolarHBondContact OD2-CG2 3.27Å; D260-T263 PolarHBondContact OD2-OG1 2.9Å; Q261-T263 VanDerWaalsContact C-N 3.35Å; T263-G265 PolarHBondContact O-N 3.12Å; T263-L266 WeakPolarHBondContact O-CB 3.29Å; T263-L266 PolarHBondContact O-N 3.22Å; T263-K267 WeakPolarHBondContact O-CG 3.41Å; T263-K267 PolarHBondContact O-N 3.49Å
264	H	88.4	Confident	85.8	Confident	64 Å²	64	61.7 Å²	61.7	30%	0.296	32%	0.315	S	S	.	.	H	α-helix	trans	-56.5	-51.8	-178.6	178.2	65	0	0	0	113.4	S258 D260 L266 K267 V268	S258-H264 WeakPolarHBondContact CB-ND1 3.45Å; S258-H264 VanDerWaalsContact OG-CA 3.25Å; S258-H264 WeakPolarHBondContact OG-CA 3.38Å; S258-H264 WeakPolarHBondContact OG-CB 3.46Å; S258-H264 PolarHBondContact OG-ND1 3.44Å; D260-H264 WeakPolarHBondContact O-CB 3.34Å; D260-H264 PolarHBondContact O-N 2.49Å; H264-L266 VanDerWaalsContact C-N 3.27Å; H264-L266 PolarHBondContact O-N 3.43Å; H264-K267 PolarHBondContact O-N 3.04Å; H264-V268 WeakPolarHBondContact O-CG2 3.14Å; H264-V268 PolarHBondContact O-N 3.09Å
265	G	88.1	Confident	83.5	Confident	39 Å²	39	68 Å²	68	40%	0.402	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-38.9	179.1	0	0	0	0	0	112.6	T263 N269	T263-G265 PolarHBondContact O-N 3.12Å; G265-N269 WeakPolarHBondContact O-CB 3.48Å; G265-N269 VanDerWaalsContact O-CG 3.25Å; G265-N269 PolarHBondContact O-N 3.12Å; G265-N269 PolarHBondContact O-ND2 3.36Å
266	L	87.8	Confident	80.9	Confident	64 Å²	64	72.8 Å²	72.8	34%	0.335	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-51	176.3	179.1	63.1	0	0	0	111.3	R59 T263 H264 V268 N269 D270	R59-L266 VanDerWaalsContact CZ-CD2 3.44Å; T263-L266 WeakPolarHBondContact O-CB 3.29Å; T263-L266 PolarHBondContact O-N 3.22Å; H264-L266 VanDerWaalsContact C-N 3.27Å; H264-L266 PolarHBondContact O-N 3.43Å; L266-V268 VanDerWaalsContact C-N 3.3Å; L266-V268 PolarHBondContact O-N 3.12Å; L266-N269 PolarHBondContact O-N 2.86Å; L266-N269 VanDerWaalsContact O-N 3.09Å; L266-D270 PolarHBondContact O-N 2.97Å
267	K	89	Confident	78.1	Confident	12 Å²	12	80.2 Å²	80.2	5%	0.052	42%	0.416	C	S	.	.	H	α-helix	trans	-59.2	-39.5	178	-72.6	179.5	176	-178	0	112.9	E221 F247 E257 T263 H264 D270 C271	E221-K267 VanDerWaalsContact CD-NZ 3.32Å; E221-K267 WeakPolarHBondContact OE1-CE 3.26Å; E221-K267 IonicContact OE1-NZ 3.59Å; E221-K267 PolarHBondContact OE1-NZ 3.03Å; E221-K267 WeakPolarHBondContact OE2-CE 3.22Å; E221-K267 IonicContact OE2-NZ 3.76Å; F247-K267 HydrophobicContact CE1-CB 3.84Å; F247-K267 HydrophobicContact CZ-CB 3.81Å; F247-K267 WeakPolarHBondContact CZ-O 3.18Å; E257-K267 PolarHBondContact O-NZ 3.34Å; T263-K267 WeakPolarHBondContact O-CG 3.41Å; T263-K267 PolarHBondContact O-N 3.49Å; H264-K267 PolarHBondContact O-N 3.04Å; K267-D270 PolarHBondContact O-N 3.27Å; K267-C271 PolarHBondContact O-N 2.87Å
268	V	89.5	Confident	75.4	Confident	26 Å²	26	84.4 Å²	84.4	16%	0.158	44%	0.444	C	S	.	.	H	α-helix	trans	-63.2	-45.9	175.7	170.1	0	0	0	0	110.1	F247 H264 L266 D270 C271 R272	F247-V268 HydrophobicContact CB-CG2 4.5Å; F247-V268 HydrophobicContact CD1-CG2 4.3Å; F247-V268 HydrophobicContact CD2-CG2 3.97Å; F247-V268 HydrophobicContact CE2-CG2 4.27Å; F247-V268 HydrophobicContact CG-CG2 3.98Å; H264-V268 WeakPolarHBondContact O-CG2 3.14Å; H264-V268 PolarHBondContact O-N 3.09Å; L266-V268 VanDerWaalsContact C-N 3.3Å; L266-V268 PolarHBondContact O-N 3.12Å; V268-D270 VanDerWaalsContact C-N 3.35Å; V268-D270 PolarHBondContact O-N 2.82Å; V268-C271 PolarHBondContact O-N 2.81Å; V268-R272 WeakPolarHBondContact O-CG 3.28Å; V268-R272 PolarHBondContact O-N 2.82Å; V268-R272 VanDerWaalsContact O-N 3.12Å
269	N	88.3	Confident	72.5	Confident	88 Å²	88	90.7 Å²	90.7	47%	0.471	48%	0.478	S	S	.	.	H	α-helix	trans	-64.1	-38.2	177.6	-70.9	-21.9	0	0	0	112.5	G265 L266 C271 R272	G265-N269 WeakPolarHBondContact O-CB 3.48Å; G265-N269 VanDerWaalsContact O-CG 3.25Å; G265-N269 PolarHBondContact O-N 3.12Å; G265-N269 PolarHBondContact O-ND2 3.36Å; L266-N269 PolarHBondContact O-N 2.86Å; L266-N269 VanDerWaalsContact O-N 3.09Å; N269-C271 PolarHBondContact O-N 2.92Å; N269-C271 VanDerWaalsContact O-N 3.12Å; N269-R272 PolarHBondContact O-N 3.4Å; N269-R272 PolarHBondContact OD1-NH1 2.84Å
270	D	88.2	Confident	69.9	Low	9 Å²	9	95 Å²	95	5%	0.048	50%	0.501	C	S	.	.	H	α-helix	trans	-59.3	-25.7	176.3	-67.8	-17.8	0	0	0	113.4	I42 Y48 Y50 R59 L266 K267 V268	I42-D270 VanDerWaalsContact CG2-O 3.25Å; I42-D270 WeakPolarHBondContact CG2-O 3.36Å; Y48-D270 WeakPolarHBondContact CE1-OD1 3.49Å; Y48-D270 VanDerWaalsContact CZ-OD1 3.29Å; Y48-D270 PolarHBondContact OH-OD1 2.88Å; Y48-D270 PolarHBondContact OH-OD2 2.81Å; Y50-D270 HydrophobicContact CD1-CB 3.57Å; Y50-D270 HydrophobicContact CD2-CB 4.27Å; Y50-D270 HydrophobicContact CE1-CB 3.82Å; Y50-D270 HydrophobicContact CE2-CB 4.48Å; Y50-D270 HydrophobicContact CG-CB 3.81Å; R59-D270 IonicContact CZ-OD2 3.78Å; R59-D270 IonicContact NE-OD2 3.63Å; R59-D270 PolarHBondContact NE-OD2 3.4Å; R59-D270 VanDerWaalsContact NE-OD2 3.12Å; R59-D270 IonicContact NH2-OD2 3.32Å; R59-D270 PolarHBondContact NH2-OD2 2.96Å; L266-D270 PolarHBondContact O-N 2.97Å; K267-D270 PolarHBondContact O-N 3.27Å; V268-D270 VanDerWaalsContact C-N 3.35Å; V268-D270 PolarHBondContact O-N 2.82Å
271	C	89.1	Confident	67.3	Low	5 Å²	5	99.9 Å²	99.9	3%	0.034	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-6.5	179.4	-83.3	0	0	0	0	114.2	F247 C249 K267 V268 N269	F247-C271 HydrophobicContact CE2-CB 3.79Å; F247-C271 HydrophobicContact CZ-CB 4.5Å; C249-C271 HydrophobicContact CB-CB 3.73Å; C249-C271 WeakPolarHBondContact CB-SG 3.12Å; C249-C271 WeakPolarHBondContact SG-CB 3.34Å; C249-C271 CovalentContact SG-SG 2.04Å; C249-C271 PolarHBondContact SG-SG 3.11Å; K267-C271 PolarHBondContact O-N 2.87Å; V268-C271 PolarHBondContact O-N 2.81Å; N269-C271 PolarHBondContact O-N 2.92Å; N269-C271 VanDerWaalsContact O-N 3.12Å
272	R	83.5	Confident	64.8	Low	159 Å²	159	98.9 Å²	98.9	60%	0.6	53%	0.526	S	S	*	.			trans	-74.4	135.6	176.4	-80.6	174.4	-179.1	176.2	-3	109.3	V268 N269 E274	V268-R272 WeakPolarHBondContact O-CG 3.28Å; V268-R272 PolarHBondContact O-N 2.82Å; V268-R272 VanDerWaalsContact O-N 3.12Å; N269-R272 PolarHBondContact O-N 3.4Å; N269-R272 PolarHBondContact OD1-NH1 2.84Å; R272-E274 PolarHBondContact O-N 3.21Å
273	V	64.1	Low	62.2	Low	89 Å²	89	96.4 Å²	96.4	54%	0.539	52%	0.521	S	S	.	.			trans	-74.2	115.6	161.2	-177.9	0	0	0	0	105.1	K275	V273-K275 PolarHBondContact O-N 3.01Å
274	E	60.2	Low	59.4	Low	162 Å²	162	100.4 Å²	100.4	76%	0.757	55%	0.55	S	S	*	.			trans	-56.3	100.9	156.5	-78.1	-174	174.6	0	0	105.4	R272 S276	R272-E274 PolarHBondContact O-N 3.21Å; E274-S276 VanDerWaalsContact C-N 3.32Å; E274-S276 PolarHBondContact O-N 3.14Å
275	K	43.5	Very low	56.7	Low	177 Å²	177	102.8 Å²	102.8	77%	0.77	57%	0.569	S	S	*	*			trans	-62	110.1	160.9	-72.8	-176.3	178.7	-178.9	0	103	V273 D277	V273-K275 PolarHBondContact O-N 3.01Å; K275-D277 PolarHBondContact O-N 3.04Å
276	S	39	Very low	53.7	Low	102 Å²	102	106.5 Å²	106.5	71%	0.713	58%	0.584	S	S	*	*			trans	-46.6	112.3	162.2	50.8	0	0	0	0	106.3	E274 V278	E274-S276 VanDerWaalsContact C-N 3.32Å; E274-S276 PolarHBondContact O-N 3.14Å; S276-V278 PolarHBondContact O-N 2.99Å
277	D	35.2	Very low	50.9	Low	161 Å²	161	112.1 Å²	112.1	86%	0.861	61%	0.611	S	S	*	*			trans	-60.6	92.4	179.1	-77.3	-42.7	0	0	0	108.2	K275 N279	K275-D277 PolarHBondContact O-N 3.04Å; D277-N279 PolarHBondContact O-N 2.87Å
278	V	34.4	Very low	47.9	Very low	126 Å²	126	119.8 Å²	119.8	76%	0.764	65%	0.647	S	S	*	*			trans	-71.7	104.9	154.1	175.2	0	0	0	0	104.3	S276 D280	S276-V278 PolarHBondContact O-N 2.99Å; V278-D280 PolarHBondContact O-N 3.45Å; V278-D280 VanDerWaalsContact O-N 3.11Å
279	N	30.1	Very low	44.8	Very low	133 Å²	133	126.2 Å²	126.2	71%	0.711	68%	0.675	S	S	*	*			trans	-4.2	98.2	162.7	-74.2	-23.6	0	0	0	114.9	D277	D277-N279 PolarHBondContact O-N 2.87Å
280	D	31.2	Very low	41.9	Very low	161 Å²	161	127 Å²	127	86%	0.861	69%	0.687	S	S	*	*			trans	-135	74.4	143.4	-85.5	-36.8	0	0	0	107.3	V278 N282	V278-D280 PolarHBondContact O-N 3.45Å; V278-D280 VanDerWaalsContact O-N 3.11Å; D280-N282 PolarHBondContact O-N 2.7Å
281	L	30.2	Very low	39	Very low	161 Å²	161	134 Å²	134	84%	0.843	72%	0.72	S	S	*	*			trans	-58.4	89	151.2	-101.4	122.4	0	0	0	106.9
282	N	30	Very low	36.1	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	75%	0.752	S	S	*	*			trans	-179.5	90.6	149.1	-93.8	-7.8	0	0	0	110.3	D280	D280-N282 PolarHBondContact O-N 2.7Å
283	S	30	Very low	33.2	Very low	98 Å²	98	138 Å²	138	69%	0.685	76%	0.762	S	S	*	*			trans	176	90.7	132	177.8	0	0	0	0	108.4	T285	S283-T285 PolarHBondContact O-N 3.17Å; S283-T285 VanDerWaalsContact O-N 3.11Å; S283-T285 PolarHBondContact OG-OG1 2.65Å
284	S	27.6	Very low	31.5	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	77%	0.774	S	S	*	*			trans	-53.7	110.4	152.3	146.5	0	0	0	0	107.8
285	T	31.4	Very low	29.7	Very low	115 Å²	115	136.4 Å²	136.4	71%	0.706	77%	0.771	S	S	*	*			trans	-127.5	101.9	159.1	-39.7	0	0	0	0	107.9	S283 M287	S283-T285 PolarHBondContact O-N 3.17Å; S283-T285 VanDerWaalsContact O-N 3.11Å; S283-T285 PolarHBondContact OG-OG1 2.65Å; T285-M287 PolarHBondContact O-N 2.69Å
286	T	25.2	Very low	29.1	Very low	116 Å²	116	136 Å²	136	71%	0.712	78%	0.776	S	S	*	*			trans	-27.9	119	170.3	-51.3	0	0	0	0	113.7	E288	T286-E288 PolarHBondContact O-N 3.37Å; T286-E288 VanDerWaalsContact O-N 3.13Å
287	M	30	Very low	28.4	Very low	183 Å²	183	137 Å²	137	90%	0.901	78%	0.778	S	S	*	*			trans	-72	93.3	160.6	-70.3	-77.6	-76.3	0	0	107.4	T285 H289	T285-M287 PolarHBondContact O-N 2.69Å; M287-H289 PolarHBondContact O-N 3.39Å
288	E	24.2	Very low	27.9	Very low	173 Å²	173	138.2 Å²	138.2	81%	0.808	78%	0.778	S	S	*	*			trans	-75.3	110.1	173.7	-155.9	173.9	-157.7	0	0	109	T286 S290	T286-E288 PolarHBondContact O-N 3.37Å; T286-E288 VanDerWaalsContact O-N 3.13Å; E288-S290 PolarHBondContact O-N 2.62Å; E288-S290 VanDerWaalsContact O-N 3.07Å
289	H	25.9	Very low	27.4	Very low	160 Å²	160	137.8 Å²	137.8	74%	0.741	78%	0.775	S	S	*	*			trans	-65.9	98.1	175.2	-159.4	60.6	0	0	0	108.6	M287 E291	M287-H289 PolarHBondContact O-N 3.39Å; H289-E291 VanDerWaalsContact C-N 3.32Å; H289-E291 PolarHBondContact O-N 2.88Å; H289-E291 VanDerWaalsContact O-N 3.15Å
290	S	27.4	Very low	27	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	78%	0.778	S	S	*	*			trans	-84.8	80.7	171.4	24.2	0	0	0	0	109.2	E288 T292	E288-S290 PolarHBondContact O-N 2.62Å; E288-S290 VanDerWaalsContact O-N 3.07Å; S290-T292 VanDerWaalsContact C-N 3.34Å; S290-T292 PolarHBondContact O-N 2.8Å
291	E	25.9	Very low	26.6	Very low	156 Å²	156	138.6 Å²	138.6	73%	0.729	78%	0.78	S	S	*	*			trans	-62.1	96.7	155	-80.3	-176.9	151.2	0	0	108.2	H289 T293	H289-E291 VanDerWaalsContact C-N 3.32Å; H289-E291 PolarHBondContact O-N 2.88Å; H289-E291 VanDerWaalsContact O-N 3.15Å; E291-T293 PolarHBondContact O-N 3.19Å
292	T	29	Very low	26.4	Very low	117 Å²	117	137.5 Å²	137.5	72%	0.718	78%	0.78	S	S	*	*			trans	-95.5	80.9	165.9	-52.5	0	0	0	0	108.6	S290 L294	S290-T292 VanDerWaalsContact C-N 3.34Å; S290-T292 PolarHBondContact O-N 2.8Å; T292-L294 HydrophobicContact CG2-CB 4.48Å
293	T	22.6	Very low	26.1	Very low	131 Å²	131	139.2 Å²	139.2	80%	0.804	78%	0.78	S	S	*	*			trans	-84.8	98.9	155.5	-61.4	0	0	0	0	107	E291	E291-T293 PolarHBondContact O-N 3.19Å
294	L	27.5	Very low	26	Very low	150 Å²	150	141.4 Å²	141.4	79%	0.785	79%	0.79	S	S	*	*			trans	-133.7	105	163.5	-98.4	162.6	0	0	0	108.2	T292 I296	T292-L294 HydrophobicContact CG2-CB 4.48Å; L294-I296 PolarHBondContact O-N 3.45Å
295	G	23.2	Very low	26.1	Very low	68 Å²	68	142 Å²	142	70%	0.701	79%	0.789	S	S	*	*			trans	-57.1	126.7	174.5	0	0	0	0	0	110.8	T297	G295-T297 PolarHBondContact O-N 3.39Å
296	I	30.6	Very low	26	Very low	169 Å²	169	145.9 Å²	145.9	87%	0.867	80%	0.799	S	S	*	*			trans	-85.4	102.6	169.6	-62.4	173.6	0	0	0	106.4	L294	L294-I296 PolarHBondContact O-N 3.45Å
297	T	25.8	Very low	26.2	Very low	123 Å²	123	143 Å²	143	76%	0.755	79%	0.792	S	S	*	*			trans	-63.7	132.2	168.5	-46.6	0	0	0	0	109.9	G295 V299	G295-T297 PolarHBondContact O-N 3.39Å; T297-V299 PolarHBondContact O-N 3.05Å
298	E	23	Very low	26.5	Very low	186 Å²	186	139.7 Å²	139.7	87%	0.869	78%	0.778	S	S	*	*			trans	-56.4	117.3	168.6	-62.5	175.2	140.6	0	0	111.6
299	V	24.8	Very low	27.3	Very low	116 Å²	116	140.8 Å²	140.8	70%	0.703	78%	0.78	S	S	*	*			trans	-147	112.4	155.3	-179.8	0	0	0	0	111.2	T297	T297-V299 PolarHBondContact O-N 3.05Å
300	Q	22.4	Very low	28.1	Very low	166 Å²	166	140 Å²	140	78%	0.776	78%	0.776	S	S	*	*			trans	61.5	99.4	147	-65.9	176.8	-12	0	0	120.9	T302	Q300-T302 PolarHBondContact O-N 3.44Å; Q300-T302 VanDerWaalsContact O-N 3.11Å
301	T	22.6	Very low	29.2	Very low	146 Å²	146	139.9 Å²	139.9	90%	0.896	77%	0.767	S	S	*	*				11.9	83.8	117.2	-36.9	0	0	0	0	116.7
302	T	24.9	Very low	30.4	Very low	138 Å²	138	140.1 Å²	140.1	85%	0.847	77%	0.766	S	S	*	*			trans	-95.4	124.9	153.7	19.5	0	0	0	0	109.6	Q300 T304	Q300-T302 PolarHBondContact O-N 3.44Å; Q300-T302 VanDerWaalsContact O-N 3.11Å; T302-T304 PolarHBondContact O-N 3.2Å
303	K	24.3	Very low	31.9	Very low	191 Å²	191	137.3 Å²	137.3	83%	0.83	75%	0.751	S	S	*	*			trans	-31.6	126.2	179.8	-72.7	166.8	173.8	172.5	0	113.9	T305	K303-T305 PolarHBondContact O-N 3.48Å
304	T	28.5	Very low	33.4	Very low	145 Å²	145	135 Å²	135	89%	0.89	73%	0.731	S	S	*	*			trans	-49.4	104.5	163.9	-44.9	0	0	0	0	109.4	T302 E306	T302-T304 PolarHBondContact O-N 3.2Å; T304-E306 PolarHBondContact O-N 3.22Å
305	T	28.1	Very low	35.2	Very low	129 Å²	129	135.7 Å²	135.7	79%	0.791	72%	0.723	S	S	*	*			trans	-66.2	122.3	173	-45.4	0	0	0	0	108.7	K303 G307	K303-T305 PolarHBondContact O-N 3.48Å; T305-G307 PolarHBondContact O-N 2.81Å; T305-G307 VanDerWaalsContact O-N 3.15Å
306	E	30.3	Very low	37.4	Very low	196 Å²	196	139.4 Å²	139.4	92%	0.916	72%	0.717	S	S	*	*			trans	-69.2	99.8	175.4	-153.4	172.4	-174.3	0	0	109.1	T304	T304-E306 PolarHBondContact O-N 3.22Å
307	G	28.3	Very low	39.2	Very low	55 Å²	55	135.7 Å²	135.7	57%	0.567	70%	0.699	S	S	*	*			trans	160.8	109.7	175.1	0	0	0	0	0	109	T305	T305-G307 PolarHBondContact O-N 2.81Å; T305-G307 VanDerWaalsContact O-N 3.15Å
308	N	37.2	Very low	41.6	Very low	113 Å²	113	138 Å²	138	60%	0.604	70%	0.695	S	S	*	*				-137.2	99.2	74.8	-70.1	-17.1	0	0	0	112	Q310 D311	N308-Q310 PolarHBondContact O-N 3.29Å; N308-D311 HydrophobicContact CB-CB 4.48Å; N308-D311 PolarHBondContact ND2-OD2 3.23Å
309	K	42	Very low	44	Very low	196 Å²	196	132.3 Å²	132.3	85%	0.852	67%	0.673	S	S	*	*	H	α-helix	trans	-67.1	-13.8	160.1	-88.9	176.1	176.9	168.2	0	112.1
310	Q	41.9	Very low	46.3	Very low	144 Å²	144	128.5 Å²	128.5	67%	0.673	65%	0.65	S	S	*	*	H	α-helix	trans	-80.1	-39.5	-172.4	-145.4	153.4	-15.1	0	0	112.9	N308 S313 H314	N308-Q310 PolarHBondContact O-N 3.29Å; Q310-S313 WeakPolarHBondContact O-CB 3.44Å; Q310-S313 PolarHBondContact O-N 2.79Å; Q310-H314 PolarHBondContact O-CD2 2.79Å; Q310-H314 PolarHBondContact O-N 2.94Å
311	D	50.6	Low	48.9	Very low	102 Å²	102	124.7 Å²	124.7	55%	0.545	63%	0.634	S	S	.	*	H	α-helix	trans	-70	-36.9	-178.7	-70	-33.3	0	0	0	113.4	N308 S313 H314 W315	N308-D311 HydrophobicContact CB-CB 4.48Å; N308-D311 PolarHBondContact ND2-OD2 3.23Å; D311-S313 VanDerWaalsContact C-N 3.29Å; D311-S313 PolarHBondContact O-N 2.86Å; D311-H314 PolarHBondContact O-N 2.78Å; D311-W315 PolarHBondContact O-N 2.76Å; D311-W315 VanDerWaalsContact O-N 3.12Å
312	K	50.5	Low	51.6	Low	162 Å²	162	121.1 Å²	121.1	70%	0.704	61%	0.613	S	S	*	*	H	α-helix	trans	-65.5	-33.3	174.6	-78	-175	178.9	178.7	0	112.4	Y316	K312-Y316 PolarHBondContact O-N 2.93Å; K312-Y316 VanDerWaalsContact O-N 3.17Å
313	S	59.6	Low	54.2	Low	57 Å²	57	119.3 Å²	119.3	40%	0.399	60%	0.598	S	S	.	*	H	α-helix	trans	-64	-45.9	176.5	156.8	0	0	0	0	111.4	Q310 D311 Y316 L317	Q310-S313 WeakPolarHBondContact O-CB 3.44Å; Q310-S313 PolarHBondContact O-N 2.79Å; D311-S313 VanDerWaalsContact C-N 3.29Å; D311-S313 PolarHBondContact O-N 2.86Å; S313-Y316 PolarHBondContact O-N 2.99Å; S313-L317 PolarHBondContact O-N 2.89Å; S313-L317 VanDerWaalsContact O-N 3.13Å
314	H	55	Low	56.8	Low	82 Å²	82	113.3 Å²	113.3	38%	0.38	58%	0.577	S	S	.	*	H	α-helix	trans	-68	-40.9	179.5	-71.6	-68.8	0	0	0	112.3	Q310 D311 Y316 L317 Y318	Q310-H314 PolarHBondContact O-CD2 2.79Å; Q310-H314 PolarHBondContact O-N 2.94Å; D311-H314 PolarHBondContact O-N 2.78Å; H314-Y316 VanDerWaalsContact C-N 3.33Å; H314-Y316 PolarHBondContact O-N 3.35Å; H314-L317 PolarHBondContact O-N 2.85Å; H314-Y318 HydrophobicContact CB-CD2 4.25Å; H314-Y318 HydrophobicContact CB-CE2 4.28Å; H314-Y318 AromaticContact ND1-CE2 3.69Å; H314-Y318 WeakPolarHBondContact O-CD2 3.33Å; H314-Y318 PolarHBondContact O-N 3.04Å
315	W	66.4	Low	59.3	Low	166 Å²	166	108.6 Å²	108.6	63%	0.629	55%	0.553	S	S	*	*	H	α-helix	trans	-60.4	-41.6	176.3	179.2	49.3	0	0	0	112.7	D311 V319	D311-W315 PolarHBondContact O-N 2.76Å; D311-W315 VanDerWaalsContact O-N 3.12Å; W315-V319 WeakPolarHBondContact O-CB 3.49Å; W315-V319 PolarHBondContact O-N 2.85Å; W315-V319 VanDerWaalsContact O-N 3.09Å
316	Y	67.7	Low	61.8	Low	146 Å²	146	104 Å²	104	57%	0.573	53%	0.526	S	S	*	.	I	π-helix	trans	-65.7	-42.3	178.2	-153	-92.7	0	0	0	112.1	K312 S313 H314 V320 I321	K312-Y316 PolarHBondContact O-N 2.93Å; K312-Y316 VanDerWaalsContact O-N 3.17Å; S313-Y316 PolarHBondContact O-N 2.99Å; H314-Y316 VanDerWaalsContact C-N 3.33Å; H314-Y316 PolarHBondContact O-N 3.35Å; Y316-V320 HydrophobicContact CD2-CB 4.24Å; Y316-V320 HydrophobicContact CD2-CG1 4.42Å; Y316-V320 HydrophobicContact CD2-CG2 4.01Å; Y316-V320 HydrophobicContact CE1-CG1 4.45Å; Y316-V320 HydrophobicContact CE2-CB 4.38Å; Y316-V320 HydrophobicContact CE2-CG1 4.06Å; Y316-V320 HydrophobicContact CE2-CG2 4.35Å; Y316-V320 HydrophobicContact CG-CB 4.34Å; Y316-V320 HydrophobicContact CG-CG2 4.42Å; Y316-V320 WeakPolarHBondContact O-CB 3.21Å; Y316-V320 PolarHBondContact O-N 3.11Å; Y316-I321 PolarHBondContact O-N 2.86Å
317	L	70	Confident	64.3	Low	91 Å²	91	99.7 Å²	99.7	48%	0.476	51%	0.508	S	S	.	.	I	π-helix	trans	-66.3	-42.9	-179.9	-90.6	155.3	0	0	0	113.4	S313 H314 I321	S313-L317 PolarHBondContact O-N 2.89Å; S313-L317 VanDerWaalsContact O-N 3.13Å; H314-L317 PolarHBondContact O-N 2.85Å; L317-I321 HydrophobicContact CD2-CD1 3.91Å; L317-I321 HydrophobicContact CG-CD1 4.43Å
318	Y	75.1	Confident	66.8	Low	170 Å²	170	103.3 Å²	103.3	67%	0.667	51%	0.509	S	S	*	.	I	π-helix	trans	-94.2	-22.9	-171.2	-66.6	-66.2	0	0	0	114.7	H314 P322	H314-Y318 HydrophobicContact CB-CD2 4.25Å; H314-Y318 HydrophobicContact CB-CE2 4.28Å; H314-Y318 AromaticContact ND1-CE2 3.69Å; H314-Y318 WeakPolarHBondContact O-CD2 3.33Å; H314-Y318 PolarHBondContact O-N 3.04Å; Y318-P322 WeakPolarHBondContact O-CG 3.1Å
319	V	74.2	Confident	69.2	Low	68 Å²	68	100.8 Å²	100.8	41%	0.412	50%	0.495	S	S	.	.	I	π-helix	trans	-111.7	-48.2	-175.6	-175.5	0	0	0	0	111.5	W315 L323	W315-V319 WeakPolarHBondContact O-CB 3.49Å; W315-V319 PolarHBondContact O-N 2.85Å; W315-V319 VanDerWaalsContact O-N 3.09Å; V319-L323 HydrophobicContact CG1-CD1 3.99Å; V319-L323 WeakPolarHBondContact O-CB 3.32Å; V319-L323 WeakPolarHBondContact O-CD1 3.48Å; V319-L323 WeakPolarHBondContact O-CG 3.29Å; V319-L323 PolarHBondContact O-N 3.49Å
320	V	73.1	Confident	71.2	Confident	36 Å²	36	96.5 Å²	96.5	22%	0.218	48%	0.48	C	S	.	.	I	π-helix	trans	-74.8	-45.6	-173.3	-176.9	0	0	0	0	111.7	Y316 L323 V324	Y316-V320 HydrophobicContact CD2-CB 4.24Å; Y316-V320 HydrophobicContact CD2-CG1 4.42Å; Y316-V320 HydrophobicContact CD2-CG2 4.01Å; Y316-V320 HydrophobicContact CE1-CG1 4.45Å; Y316-V320 HydrophobicContact CE2-CB 4.38Å; Y316-V320 HydrophobicContact CE2-CG1 4.06Å; Y316-V320 HydrophobicContact CE2-CG2 4.35Å; Y316-V320 HydrophobicContact CG-CB 4.34Å; Y316-V320 HydrophobicContact CG-CG2 4.42Å; Y316-V320 WeakPolarHBondContact O-CB 3.21Å; Y316-V320 PolarHBondContact O-N 3.11Å; V320-L323 PolarHBondContact O-N 2.98Å; V320-V324 HydrophobicContact CG1-CG2 4.11Å; V320-V324 WeakPolarHBondContact O-CB 3.46Å; V320-V324 VanDerWaalsContact O-CG2 3.3Å; V320-V324 WeakPolarHBondContact O-CG2 3.4Å; V320-V324 PolarHBondContact O-N 2.95Å
321	I	77.2	Confident	73	Confident	86 Å²	86	92.9 Å²	92.9	44%	0.441	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-46.4	-178.8	-63.1	175.7	0	0	0	112.1	Y316 L317 L323 V324 A325	Y316-I321 PolarHBondContact O-N 2.86Å; L317-I321 HydrophobicContact CD2-CD1 3.91Å; L317-I321 HydrophobicContact CG-CD1 4.43Å; I321-L323 PolarHBondContact O-N 2.92Å; I321-V324 PolarHBondContact O-N 2.75Å; I321-A325 VanDerWaalsContact O-CB 3.31Å; I321-A325 WeakPolarHBondContact O-CB 3.38Å; I321-A325 PolarHBondContact O-N 3.35Å
322	P	79.4	Confident	74.7	Confident	70 Å²	70	92 Å²	92	46%	0.455	47%	0.465	S	S	.	.	H	α-helix	trans	-65.6	-36.6	177.5	-25.5	37.9	0	0	0	113.8	Y318 A325 S326	Y318-P322 WeakPolarHBondContact O-CG 3.1Å; P322-A325 PolarHBondContact O-N 3.34Å; P322-S326 WeakPolarHBondContact O-CB 3.38Å; P322-S326 PolarHBondContact O-N 3.35Å; P322-S326 PolarHBondContact O-OG 2.92Å
323	L	79.3	Confident	76.1	Confident	101 Å²	101	86.1 Å²	86.1	53%	0.529	45%	0.449	S	S	.	.	H	α-helix	trans	-65.6	-43.2	176.1	-87.1	165.5	0	0	0	112.2	V319 V320 I321 S326 L327	V319-L323 HydrophobicContact CG1-CD1 3.99Å; V319-L323 WeakPolarHBondContact O-CB 3.32Å; V319-L323 WeakPolarHBondContact O-CD1 3.48Å; V319-L323 WeakPolarHBondContact O-CG 3.29Å; V319-L323 PolarHBondContact O-N 3.49Å; V320-L323 PolarHBondContact O-N 2.98Å; I321-L323 PolarHBondContact O-N 2.92Å; L323-S326 PolarHBondContact O-N 2.81Å; L323-S326 PolarHBondContact O-OG 2.88Å; L323-L327 PolarHBondContact O-N 3Å; L323-L327 VanDerWaalsContact O-N 3.09Å
324	V	79.3	Confident	77.1	Confident	65 Å²	65	86.7 Å²	86.7	39%	0.394	45%	0.452	S	S	.	.	H	α-helix	trans	-67	-42.4	176.7	173	0	0	0	0	110.1	V320 I321 S326 L327 F328	V320-V324 HydrophobicContact CG1-CG2 4.11Å; V320-V324 WeakPolarHBondContact O-CB 3.46Å; V320-V324 VanDerWaalsContact O-CG2 3.3Å; V320-V324 WeakPolarHBondContact O-CG2 3.4Å; V320-V324 PolarHBondContact O-N 2.95Å; I321-V324 PolarHBondContact O-N 2.75Å; V324-S326 PolarHBondContact O-N 3.31Å; V324-L327 PolarHBondContact O-N 2.88Å; V324-F328 HydrophobicContact CG1-CD2 3.65Å; V324-F328 HydrophobicContact CG1-CE2 3.43Å; V324-F328 VanDerWaalsContact CG1-CE2 3.43Å; V324-F328 WeakPolarHBondContact O-CD2 3.17Å; V324-F328 PolarHBondContact O-N 3.5Å
325	A	80	Confident	78.4	Confident	46 Å²	46	88.1 Å²	88.1	38%	0.38	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-41.6	176.2	0	0	0	0	0	112.3	I321 P322 F328 L329	I321-A325 VanDerWaalsContact O-CB 3.31Å; I321-A325 WeakPolarHBondContact O-CB 3.38Å; I321-A325 PolarHBondContact O-N 3.35Å; P322-A325 PolarHBondContact O-N 3.34Å; A325-F328 PolarHBondContact O-N 2.74Å; A325-L329 VanDerWaalsContact O-CG 3.26Å; A325-L329 WeakPolarHBondContact O-CG 3.4Å; A325-L329 PolarHBondContact O-N 3.42Å
326	S	80.2	Confident	79	Confident	32 Å²	32	83.2 Å²	83.2	22%	0.224	45%	0.447	C	S	.	.	H	α-helix	trans	-66.2	-40.5	177.9	68.6	0	0	0	0	112	P322 L323 V324 L329 I330	P322-S326 WeakPolarHBondContact O-CB 3.38Å; P322-S326 PolarHBondContact O-N 3.35Å; P322-S326 PolarHBondContact O-OG 2.92Å; L323-S326 PolarHBondContact O-N 2.81Å; L323-S326 PolarHBondContact O-OG 2.88Å; V324-S326 PolarHBondContact O-N 3.31Å; S326-L329 PolarHBondContact O-N 3.03Å; S326-I330 VanDerWaalsContact O-CG1 3.29Å; S326-I330 WeakPolarHBondContact O-CG1 3.12Å; S326-I330 PolarHBondContact O-N 3.46Å
327	L	82.4	Confident	79.6	Confident	105 Å²	105	85 Å²	85	55%	0.55	45%	0.453	S	S	.	.	H	α-helix	trans	-59.3	-45.7	172.3	-84.1	160.1	0	0	0	112.2	L323 V324 L329 I330 C331	L323-L327 PolarHBondContact O-N 3Å; L323-L327 VanDerWaalsContact O-N 3.09Å; V324-L327 PolarHBondContact O-N 2.88Å; L327-L329 VanDerWaalsContact C-N 3.33Å; L327-L329 PolarHBondContact O-N 3.15Å; L327-I330 PolarHBondContact O-N 2.92Å; L327-C331 PolarHBondContact O-N 3.09Å; L327-C331 PolarHBondContact O-SG 2.98Å
328	F	82.7	Confident	79.9	Confident	131 Å²	131	89.7 Å²	89.7	58%	0.575	46%	0.464	S	S	*	.	H	α-helix	trans	-61.5	-40.6	176.5	-85	-68.6	0	0	0	112.4	V324 A325 C331 I332	V324-F328 HydrophobicContact CG1-CD2 3.65Å; V324-F328 HydrophobicContact CG1-CE2 3.43Å; V324-F328 VanDerWaalsContact CG1-CE2 3.43Å; V324-F328 WeakPolarHBondContact O-CD2 3.17Å; V324-F328 PolarHBondContact O-N 3.5Å; A325-F328 PolarHBondContact O-N 2.74Å; F328-C331 PolarHBondContact O-N 3.07Å; F328-I332 VanDerWaalsContact O-CG1 3.24Å; F328-I332 WeakPolarHBondContact O-CG1 3.44Å; F328-I332 PolarHBondContact O-N 3.35Å
329	L	86	Confident	79.9	Confident	60 Å²	60	88.5 Å²	88.5	31%	0.314	46%	0.459	S	S	.	.	H	α-helix	trans	-66.2	-38.9	178	-69.3	172.7	0	0	0	112.2	L9 L12 A325 S326 L327 I332 G333	L9-L329 HydrophobicContact CD1-CD1 3.85Å; L9-L329 HydrophobicContact CD1-CD2 3.49Å; L9-L329 VanDerWaalsContact CD1-CD2 3.49Å; L9-L329 HydrophobicContact CD1-CG 4.13Å; L9-L329 HydrophobicContact CG-CD1 3.98Å; L9-L329 HydrophobicContact CG-CD2 4.48Å; L12-L329 HydrophobicContact CD1-CD1 4.32Å; A325-L329 VanDerWaalsContact O-CG 3.26Å; A325-L329 WeakPolarHBondContact O-CG 3.4Å; A325-L329 PolarHBondContact O-N 3.42Å; S326-L329 PolarHBondContact O-N 3.03Å; L327-L329 VanDerWaalsContact C-N 3.33Å; L327-L329 PolarHBondContact O-N 3.15Å; L329-I332 PolarHBondContact O-N 3.16Å; L329-G333 PolarHBondContact O-N 3.08Å
330	I	84.4	Confident	80	Confident	106 Å²	106	90 Å²	90	54%	0.544	46%	0.464	S	S	.	.	H	α-helix	trans	-63.1	-46.7	172.9	-67.3	164.6	0	0	0	110	S326 L327 I332 G333 C334	S326-I330 VanDerWaalsContact O-CG1 3.29Å; S326-I330 WeakPolarHBondContact O-CG1 3.12Å; S326-I330 PolarHBondContact O-N 3.46Å; L327-I330 PolarHBondContact O-N 2.92Å; I330-I332 PolarHBondContact O-N 3.13Å; I330-G333 PolarHBondContact O-N 3.42Å; I330-C334 PolarHBondContact O-N 2.88Å; I330-C334 PolarHBondContact O-SG 2.81Å
331	C	81	Confident	79.9	Confident	68 Å²	68	92.8 Å²	92.8	46%	0.459	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-43.9	177.2	-70.3	0	0	0	0	112.4	L327 F328 G333 C334 I335	L327-C331 PolarHBondContact O-N 3.09Å; L327-C331 PolarHBondContact O-SG 2.98Å; F328-C331 PolarHBondContact O-N 3.07Å; C331-G333 VanDerWaalsContact C-N 3.35Å; C331-C334 PolarHBondContact O-N 3.11Å; C331-I335 VanDerWaalsContact O-CG1 3.26Å; C331-I335 WeakPolarHBondContact O-CG1 3.28Å; C331-I335 PolarHBondContact O-N 3.31Å
332	I	85.3	Confident	79.6	Confident	85 Å²	85	98.2 Å²	98.2	44%	0.436	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-43.8	175.9	-68.1	165.3	0	0	0	110.2	F328 L329 I330 C334 I335 I336	F328-I332 VanDerWaalsContact O-CG1 3.24Å; F328-I332 WeakPolarHBondContact O-CG1 3.44Å; F328-I332 PolarHBondContact O-N 3.35Å; L329-I332 PolarHBondContact O-N 3.16Å; I330-I332 PolarHBondContact O-N 3.13Å; I332-C334 VanDerWaalsContact C-N 3.34Å; I332-C334 PolarHBondContact O-N 2.69Å; I332-I335 PolarHBondContact O-N 3.48Å; I332-I336 HydrophobicContact CG2-CD1 3.63Å; I332-I336 HydrophobicContact CG2-CG1 4.27Å; I332-I336 WeakPolarHBondContact O-CB 3.48Å; I332-I336 VanDerWaalsContact O-CG1 3.28Å; I332-I336 WeakPolarHBondContact O-CG1 3.14Å; I332-I336 PolarHBondContact O-N 2.81Å
333	G	80.2	Confident	78.9	Confident	37 Å²	37	102.3 Å²	102.3	38%	0.381	50%	0.499	S	S	.	.	H	α-helix	trans	-56.5	-46	173.7	0	0	0	0	0	112.3	L329 I330 C331 I336 W337	L329-G333 PolarHBondContact O-N 3.08Å; I330-G333 PolarHBondContact O-N 3.42Å; C331-G333 VanDerWaalsContact C-N 3.35Å; G333-I336 PolarHBondContact O-N 2.91Å; G333-W337 VanDerWaalsContact O-CB 3.24Å; G333-W337 WeakPolarHBondContact O-CB 3.11Å; G333-W337 PolarHBondContact O-N 3.25Å
334	C	79.8	Confident	78.1	Confident	69 Å²	69	106 Å²	106	47%	0.466	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-38.4	175.9	-68.5	0	0	0	0	112.8	I330 C331 I332 R338	I330-C334 PolarHBondContact O-N 2.88Å; I330-C334 PolarHBondContact O-SG 2.81Å; C331-C334 PolarHBondContact O-N 3.11Å; I332-C334 VanDerWaalsContact C-N 3.34Å; I332-C334 PolarHBondContact O-N 2.69Å; C334-R338 WeakPolarHBondContact O-CB 3.25Å; C334-R338 WeakPolarHBondContact O-CG 3.36Å; C334-R338 PolarHBondContact O-N 2.91Å
335	I	82.1	Confident	77.1	Confident	112 Å²	112	113.5 Å²	113.5	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-66.4	-47.4	176.8	-69.5	165.8	0	0	0	110	C331 I332 W337 R338 W339	C331-I335 VanDerWaalsContact O-CG1 3.26Å; C331-I335 WeakPolarHBondContact O-CG1 3.28Å; C331-I335 PolarHBondContact O-N 3.31Å; I332-I335 PolarHBondContact O-N 3.48Å; I335-W337 VanDerWaalsContact C-N 3.33Å; I335-W337 PolarHBondContact O-N 2.97Å; I335-R338 PolarHBondContact O-N 3.11Å; I335-W339 WeakPolarHBondContact O-CB 3.43Å; I335-W339 PolarHBondContact O-N 3.02Å
336	I	80.2	Confident	76	Confident	64 Å²	64	115.8 Å²	115.8	33%	0.328	55%	0.545	S	S	.	.	H	α-helix	trans	-62.1	-43.4	178.1	-66.6	168.9	0	0	0	110.2	I332 G333 W339 L340	I332-I336 HydrophobicContact CG2-CD1 3.63Å; I332-I336 HydrophobicContact CG2-CG1 4.27Å; I332-I336 WeakPolarHBondContact O-CB 3.48Å; I332-I336 VanDerWaalsContact O-CG1 3.28Å; I332-I336 WeakPolarHBondContact O-CG1 3.14Å; I332-I336 PolarHBondContact O-N 2.81Å; G333-I336 PolarHBondContact O-N 2.91Å; I336-W339 PolarHBondContact O-N 2.91Å; I336-L340 HydrophobicContact CG2-CD1 3.97Å; I336-L340 HydrophobicContact CG2-CG 4.42Å; I336-L340 WeakPolarHBondContact O-CB 3.5Å; I336-L340 WeakPolarHBondContact O-CG 3.34Å; I336-L340 PolarHBondContact O-N 2.83Å
337	W	80.3	Confident	74.6	Confident	183 Å²	183	121.5 Å²	121.5	69%	0.693	57%	0.573	S	S	*	*	H	α-helix	trans	-60	-47.4	175.3	-176.7	-83.6	0	0	0	112	G333 I335 W339 L340 L341	G333-W337 VanDerWaalsContact O-CB 3.24Å; G333-W337 WeakPolarHBondContact O-CB 3.11Å; G333-W337 PolarHBondContact O-N 3.25Å; I335-W337 VanDerWaalsContact C-N 3.33Å; I335-W337 PolarHBondContact O-N 2.97Å; W337-W339 VanDerWaalsContact C-N 3.29Å; W337-W339 PolarHBondContact O-N 3.19Å; W337-L340 PolarHBondContact O-N 3.47Å; W337-L341 HydrophobicContact CG-CD1 4.49Å; W337-L341 VanDerWaalsContact NE1-CD1 3.27Å; W337-L341 WeakPolarHBondContact O-CB 3.08Å; W337-L341 WeakPolarHBondContact O-CG 3.3Å; W337-L341 PolarHBondContact O-N 3.34Å
338	R	74.9	Confident	72.9	Confident	189 Å²	189	122.3 Å²	122.3	71%	0.713	61%	0.606	S	S	*	*	H	α-helix	trans	-61.9	-36.9	174.8	-79.5	-175.1	174.4	-159.8	-0.3	112.2	C334 I335 R342	C334-R338 WeakPolarHBondContact O-CB 3.25Å; C334-R338 WeakPolarHBondContact O-CG 3.36Å; C334-R338 PolarHBondContact O-N 2.91Å; I335-R338 PolarHBondContact O-N 3.11Å; R338-R342 PolarHBondContact O-N 3.43Å
339	W	76.3	Confident	72.5	Confident	146 Å²	146	121.9 Å²	121.9	55%	0.553	61%	0.608	S	S	*	*	H	α-helix	trans	-69.3	-42.4	178.5	-160.2	82.6	0	0	0	111.7	I335 I336 W337 R342 R343	I335-W339 WeakPolarHBondContact O-CB 3.43Å; I335-W339 PolarHBondContact O-N 3.02Å; I336-W339 PolarHBondContact O-N 2.91Å; W337-W339 VanDerWaalsContact C-N 3.29Å; W337-W339 PolarHBondContact O-N 3.19Å; W339-R342 PolarHBondContact O-N 2.97Å; W339-R343 PolarHBondContact O-N 3.12Å
340	L	76.2	Confident	71.7	Confident	99 Å²	99	125.1 Å²	125.1	52%	0.518	62%	0.623	S	S	.	*	H	α-helix	trans	-64.1	-39.8	173.9	-72.6	169.7	0	0	0	112.2	I336 W337 R343 K344	I336-L340 HydrophobicContact CG2-CD1 3.97Å; I336-L340 HydrophobicContact CG2-CG 4.42Å; I336-L340 WeakPolarHBondContact O-CB 3.5Å; I336-L340 WeakPolarHBondContact O-CG 3.34Å; I336-L340 PolarHBondContact O-N 2.83Å; W337-L340 PolarHBondContact O-N 3.47Å; L340-R343 PolarHBondContact O-N 3.5Å; L340-K344 PolarHBondContact O-N 3.38Å
341	L	70.1	Confident	71	Confident	94 Å²	94	126.2 Å²	126.2	49%	0.492	63%	0.628	S	S	.	*	H	α-helix	trans	-62.4	-41.5	173.1	-82.1	168.4	0	0	0	112.3	W337 R343 K344 R345	W337-L341 HydrophobicContact CG-CD1 4.49Å; W337-L341 VanDerWaalsContact NE1-CD1 3.27Å; W337-L341 WeakPolarHBondContact O-CB 3.08Å; W337-L341 WeakPolarHBondContact O-CG 3.3Å; W337-L341 PolarHBondContact O-N 3.34Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-K344 PolarHBondContact O-N 3.11Å; L341-R345 PolarHBondContact O-N 2.88Å
342	R	70.9	Confident	70.5	Confident	201 Å²	201	129.6 Å²	129.6	76%	0.758	64%	0.637	S	S	*	*	H	α-helix	trans	-63.4	-39.8	173.6	-83.1	-172.6	-177.2	177.5	1.1	111.9	R338 W339 K344 R345 S346	R338-R342 PolarHBondContact O-N 3.43Å; W339-R342 PolarHBondContact O-N 2.97Å; R342-K344 PolarHBondContact O-N 3.03Å; R342-R345 PolarHBondContact O-N 2.9Å; R342-S346 PolarHBondContact O-N 3.25Å
343	R	65.8	Low	69.5	Low	156 Å²	156	132.4 Å²	132.4	59%	0.589	65%	0.65	S	S	*	*	H	α-helix	trans	-66.4	-36.1	179.5	-134.7	178.2	-170.3	-179.3	4	112.5	W339 L340 L341 R345 S346	W339-R343 PolarHBondContact O-N 3.12Å; L340-R343 PolarHBondContact O-N 3.5Å; L341-R343 VanDerWaalsContact C-N 3.34Å; R343-R345 VanDerWaalsContact C-N 3.3Å; R343-R345 PolarHBondContact O-N 3.46Å; R343-S346 PolarHBondContact O-N 3.24Å
344	K	63.2	Low	68.8	Low	177 Å²	177	138.7 Å²	138.7	77%	0.77	67%	0.668	S	S	*	*	H	α-helix	trans	-64	-31.2	172.5	-92.4	-171.6	174.1	-175.7	0	113.3	L340 L341 R342 S346	L340-K344 PolarHBondContact O-N 3.38Å; L341-K344 PolarHBondContact O-N 3.11Å; R342-K344 PolarHBondContact O-N 3.03Å; K344-S346 VanDerWaalsContact C-N 3.35Å
345	R	57.8	Low	68	Low	223 Å²	223	143.7 Å²	143.7	84%	0.842	68%	0.682	S	S	*	*	H	α-helix	trans	-76.6	-14.2	176.6	-84.3	-172.1	-179.6	175.6	0	115	L341 R342 R343	L341-R345 PolarHBondContact O-N 2.88Å; R342-R345 PolarHBondContact O-N 2.9Å; R343-R345 VanDerWaalsContact C-N 3.3Å; R343-R345 PolarHBondContact O-N 3.46Å
346	S	56.7	Low	66.9	Low	94 Å²	94	146.2 Å²	146.2	66%	0.657	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-8.2	179.2	-167.6	0	0	0	0	113.7	R342 R343 K344	R342-S346 PolarHBondContact O-N 3.25Å; R343-S346 PolarHBondContact O-N 3.24Å; K344-S346 VanDerWaalsContact C-N 3.35Å
347	N	51.4	Low	65.8	Low	153 Å²	153	153 Å²	153	82%	0.818	72%	0.721	S	S	*	*			trans	-111.7	13.4	179.6	-86.7	15.9	0	0	0	112.8
348	G	46.6	Very low	64.5	Low	121 Å²	121	150.3 Å²	150.3	100%	1.247	72%	0.723	S	S	*	*			trans	-121	0	160.1	0	0	0	0	0	107.4

Retrieved 348 of 348 residues in 341.3 ms (Link to these results)

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