A0AA82N847_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N847, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 367 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	38.5	Very low	50.5	Low	212 Å²	212	136.3 Å²	136.3	100%	1.044	66%	0.655	S	S	*	*				0	107.2	0	-83.6	170.7	166.8	0	0	108.9	Y3	M1-Y3 HydrophobicContact CB-CD2 4.14Å; M1-Y3 HydrophobicContact CB-CE2 4.22Å; M1-Y3 PolarHBondContact O-N 3.41Å; M1-Y3 HydrophobicContact SD-CE2 4.02Å
2	R	41.7	Very low	51.3	Low	246 Å²	246	133.7 Å²	133.7	93%	0.928	65%	0.647	S	S	*	*			trans	-83	99.1	167.5	-76.9	-178.3	174.9	177.4	-1.7	106.8	N4	R2-N4 PolarHBondContact O-N 3.45Å
3	Y	45.5	Very low	52	Low	182 Å²	182	128.3 Å²	128.3	71%	0.714	62%	0.622	S	S	*	*			trans	-77.9	107.3	171.8	-95.2	-88.2	0	0	0	108.4	M1 F5	M1-Y3 HydrophobicContact CB-CD2 4.14Å; M1-Y3 HydrophobicContact CB-CE2 4.22Å; M1-Y3 PolarHBondContact O-N 3.41Å; M1-Y3 HydrophobicContact SD-CE2 4.02Å; Y3-F5 PolarHBondContact O-N 3.26Å
4	N	47.1	Very low	52.4	Low	155 Å²	155	129.4 Å²	129.4	83%	0.829	62%	0.618	S	S	*	*			trans	-73.6	107.7	166.6	-75.7	-21.6	0	0	0	107.7	R2 S6	R2-N4 PolarHBondContact O-N 3.45Å; N4-S6 PolarHBondContact O-N 3.45Å
5	F	42.6	Very low	52.9	Low	131 Å²	131	127.2 Å²	127.2	58%	0.575	61%	0.61	S	S	*	*			trans	-68.6	125.8	169.9	-87.7	-89.5	0	0	0	109.5	Y3 L9	Y3-F5 PolarHBondContact O-N 3.26Å; F5-L9 HydrophobicContact CD1-CB 4.2Å; F5-L9 HydrophobicContact CD1-CD1 4.19Å; F5-L9 HydrophobicContact CD1-CD2 4.06Å; F5-L9 HydrophobicContact CD1-CG 4.38Å; F5-L9 HydrophobicContact CE1-CD2 4.04Å
6	S	53.6	Low	53.5	Low	55 Å²	55	121.5 Å²	121.5	39%	0.385	58%	0.584	S	S	.	*			trans	-58.4	140.4	173.6	171	0	0	0	0	110.8	N4 S8 L9	N4-S6 PolarHBondContact O-N 3.45Å; S6-S8 PolarHBondContact O-N 3.5Å; S6-S8 VanDerWaalsContact O-N 3.07Å; S6-S8 PolarHBondContact OG-N 3.45Å; S6-S8 PolarHBondContact OG-OG 3.33Å; S6-L9 WeakPolarHBondContact O-CB 3.39Å; S6-L9 PolarHBondContact O-N 3.06Å
7	P	58.1	Low	53.6	Low	102 Å²	102	121.6 Å²	121.6	66%	0.662	58%	0.581	S	S	*	*	H	α-helix	trans	-52.3	-28.6	173.6	-25.2	33	0	0	0	114.1	L9 W10 I11	P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 3.39Å; P7-W10 PolarHBondContact O-N 3.05Å; P7-I11 PolarHBondContact O-N 3.34Å
8	S	57	Low	53.7	Low	73 Å²	73	119.3 Å²	119.3	51%	0.51	57%	0.572	S	S	.	*	H	α-helix	trans	-65	-31.3	177	61.2	0	0	0	0	113.6	S6 I11 L12	S6-S8 PolarHBondContact O-N 3.5Å; S6-S8 VanDerWaalsContact O-N 3.07Å; S6-S8 PolarHBondContact OG-N 3.45Å; S6-S8 PolarHBondContact OG-OG 3.33Å; S8-I11 PolarHBondContact O-N 3.5Å; S8-L12 PolarHBondContact O-N 3.33Å
9	L	54.2	Low	53.4	Low	80 Å²	80	122.6 Å²	122.6	42%	0.419	58%	0.578	S	S	.	*	H	α-helix	trans	-71.9	-33	177.2	-112.1	135.9	0	0	0	111.4	F5 S6 P7 L12 I13	F5-L9 HydrophobicContact CD1-CB 4.2Å; F5-L9 HydrophobicContact CD1-CD1 4.19Å; F5-L9 HydrophobicContact CD1-CD2 4.06Å; F5-L9 HydrophobicContact CD1-CG 4.38Å; F5-L9 HydrophobicContact CE1-CD2 4.04Å; S6-L9 WeakPolarHBondContact O-CB 3.39Å; S6-L9 PolarHBondContact O-N 3.06Å; P7-L9 VanDerWaalsContact C-N 3.3Å; P7-L9 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-I13 HydrophobicContact CD2-CD1 4.45Å; L9-I13 WeakPolarHBondContact O-CB 3.44Å; L9-I13 WeakPolarHBondContact O-CD1 3.45Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 2.9Å
10	W	55.7	Low	53.1	Low	153 Å²	153	119.2 Å²	119.2	58%	0.58	57%	0.567	S	S	*	*	H	α-helix	trans	-66.4	-38.3	174.1	-84.5	92.3	0	0	0	112.6	P7 I13 Y14	P7-W10 PolarHBondContact O-N 3.05Å; W10-I13 PolarHBondContact O-N 3.3Å; W10-Y14 HydrophobicContact CE3-CD2 4.37Å; W10-Y14 HydrophobicContact CE3-CE2 4.24Å; W10-Y14 HydrophobicContact CZ3-CE2 4.49Å; W10-Y14 WeakPolarHBondContact O-CB 3.3Å; W10-Y14 PolarHBondContact O-N 3.44Å
11	I	61.9	Low	52.7	Low	110 Å²	110	120.5 Å²	120.5	56%	0.564	57%	0.567	S	S	*	*	H	α-helix	trans	-64.1	-43.4	176	-62.3	169.1	0	0	0	110.3	P7 S8 Y14 L15	P7-I11 PolarHBondContact O-N 3.34Å; S8-I11 PolarHBondContact O-N 3.5Å; I11-Y14 PolarHBondContact O-N 3.22Å; I11-L15 HydrophobicContact CG2-CD1 4.11Å; I11-L15 WeakPolarHBondContact O-CG 3.44Å; I11-L15 PolarHBondContact O-N 3.41Å
12	L	59.6	Low	53.1	Low	105 Å²	105	118.2 Å²	118.2	55%	0.55	55%	0.552	S	S	.	*	H	α-helix	trans	-64.8	-43.4	178.6	-140.2	103.6	0	0	0	111.5	S8 L9 L15 I16	S8-L12 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 3.33Å; L12-L15 PolarHBondContact O-N 3.28Å; L12-I16 HydrophobicContact CD2-CD1 3.87Å; L12-I16 HydrophobicContact CG-CD1 4.35Å; L12-I16 WeakPolarHBondContact O-CB 3.43Å; L12-I16 WeakPolarHBondContact O-CD1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.45Å; L12-I16 PolarHBondContact O-N 3.04Å
13	I	60.1	Low	53.4	Low	64 Å²	64	117 Å²	117	33%	0.328	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.5	-70.7	167.8	0	0	0	110.2	L9 W10 L15 I16 F17	L9-I13 HydrophobicContact CD2-CD1 4.45Å; L9-I13 WeakPolarHBondContact O-CB 3.44Å; L9-I13 WeakPolarHBondContact O-CD1 3.45Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 2.9Å; W10-I13 PolarHBondContact O-N 3.3Å; I13-L15 PolarHBondContact O-N 2.92Å; I13-I16 PolarHBondContact O-N 3.3Å; I13-F17 HydrophobicContact CG2-CD2 3.63Å; I13-F17 HydrophobicContact CG2-CE2 3.89Å; I13-F17 VanDerWaalsContact O-CD2 3.25Å; I13-F17 WeakPolarHBondContact O-CD2 3.27Å; I13-F17 PolarHBondContact O-N 3.48Å
14	Y	58.1	Low	53.4	Low	144 Å²	144	116.9 Å²	116.9	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-57.4	-47.5	175.2	-105.2	-110.5	0	0	0	111.3	W10 I11 I16 L18	W10-Y14 HydrophobicContact CE3-CD2 4.37Å; W10-Y14 HydrophobicContact CE3-CE2 4.24Å; W10-Y14 HydrophobicContact CZ3-CE2 4.49Å; W10-Y14 WeakPolarHBondContact O-CB 3.3Å; W10-Y14 PolarHBondContact O-N 3.44Å; I11-Y14 PolarHBondContact O-N 3.22Å; Y14-I16 PolarHBondContact O-N 2.9Å; Y14-L18 HydrophobicContact CD1-CD1 2.94Å; Y14-L18 HydrophobicContact CD1-CG 4.4Å; Y14-L18 HydrophobicContact CE1-CD1 3.22Å; Y14-L18 HydrophobicContact CG-CD1 3.66Å; Y14-L18 WeakPolarHBondContact O-CA 3.3Å; Y14-L18 WeakPolarHBondContact O-CB 3.42Å; Y14-L18 PolarHBondContact O-N 2.98Å
15	L	60.1	Low	53.4	Low	96 Å²	96	112.1 Å²	112.1	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-63.5	-41.2	177.8	-71.5	168.1	0	0	0	112.3	I11 L12 I13 W19	I11-L15 HydrophobicContact CG2-CD1 4.11Å; I11-L15 WeakPolarHBondContact O-CG 3.44Å; I11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3.28Å; I13-L15 PolarHBondContact O-N 2.92Å; L15-W19 WeakPolarHBondContact O-CB 3.37Å; L15-W19 PolarHBondContact O-N 3.46Å
16	I	61.7	Low	54.1	Low	36 Å²	36	106.9 Å²	106.9	19%	0.185	51%	0.505	C	S	.	.	H	α-helix	trans	-69.1	-38.7	-178.6	-69.5	167.9	0	0	0	112	L12 I13 Y14 P20 L342	L12-I16 HydrophobicContact CD2-CD1 3.87Å; L12-I16 HydrophobicContact CG-CD1 4.35Å; L12-I16 WeakPolarHBondContact O-CB 3.43Å; L12-I16 WeakPolarHBondContact O-CD1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.45Å; L12-I16 PolarHBondContact O-N 3.04Å; I13-I16 PolarHBondContact O-N 3.3Å; Y14-I16 PolarHBondContact O-N 2.9Å; I16-P20 WeakPolarHBondContact O-CD 3.02Å; I16-P20 WeakPolarHBondContact O-CG 3.07Å; I16-L342 HydrophobicContact CD1-CD1 4.23Å; I16-L342 HydrophobicContact CD1-CD2 4.07Å; I16-L342 HydrophobicContact CD1-CG 3.82Å; I16-L342 HydrophobicContact CG1-CD1 3.94Å; I16-L342 HydrophobicContact CG1-CD2 3.93Å; I16-L342 HydrophobicContact CG1-CG 3.94Å; I16-L342 HydrophobicContact CG2-CD2 4.01Å
17	F	56.4	Low	54.8	Low	123 Å²	123	106.3 Å²	106.3	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-90.5	-42.8	-178	-73.3	-75.3	0	0	0	112.6	I13 Y21	I13-F17 HydrophobicContact CG2-CD2 3.63Å; I13-F17 HydrophobicContact CG2-CE2 3.89Å; I13-F17 VanDerWaalsContact O-CD2 3.25Å; I13-F17 WeakPolarHBondContact O-CD2 3.27Å; I13-F17 PolarHBondContact O-N 3.48Å; F17-Y21 WeakPolarHBondContact O-CB 3.18Å; F17-Y21 PolarHBondContact O-N 3.28Å; F17-Y21 VanDerWaalsContact O-N 3.15Å
18	L	55.5	Low	55.8	Low	80 Å²	80	105.8 Å²	105.8	42%	0.419	49%	0.489	S	S	.	.	H	α-helix	trans	-80.4	-28.8	-174.9	-75.2	151	0	0	0	113.9	Y14 Y21 K22	Y14-L18 HydrophobicContact CD1-CD1 2.94Å; Y14-L18 HydrophobicContact CD1-CG 4.4Å; Y14-L18 HydrophobicContact CE1-CD1 3.22Å; Y14-L18 HydrophobicContact CG-CD1 3.66Å; Y14-L18 WeakPolarHBondContact O-CA 3.3Å; Y14-L18 WeakPolarHBondContact O-CB 3.42Å; Y14-L18 PolarHBondContact O-N 2.98Å; L18-Y21 CarbonylContact O-C 3.58Å; L18-Y21 PolarHBondContact O-N 2.87Å; L18-K22 WeakPolarHBondContact O-CB 3.48Å; L18-K22 PolarHBondContact O-N 3.41Å
19	W	47.6	Very low	57	Low	183 Å²	183	102.4 Å²	102.4	69%	0.693	47%	0.465	S	S	*	.	H	α-helix	trans	-66.7	-50.4	179.1	-163.7	-4.7	0	0	0	112.1	L15 Y21 K22 R23	L15-W19 WeakPolarHBondContact O-CB 3.37Å; L15-W19 PolarHBondContact O-N 3.46Å; W19-Y21 VanDerWaalsContact C-N 3.29Å; W19-Y21 PolarHBondContact O-N 2.92Å; W19-K22 PolarHBondContact O-N 3.2Å; W19-R23 WeakPolarHBondContact O-CB 3.25Å; W19-R23 PolarHBondContact O-N 3.47Å; W19-R23 VanDerWaalsContact O-N 3.08Å
20	P	47.5	Very low	58.4	Low	53 Å²	53	99.8 Å²	99.8	34%	0.344	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-37.9	169.7	23.3	-29.2	0	0	0	110.5	I16 K22 R23 F24	I16-P20 WeakPolarHBondContact O-CD 3.02Å; I16-P20 WeakPolarHBondContact O-CG 3.07Å; P20-K22 VanDerWaalsContact C-N 3.33Å; P20-K22 PolarHBondContact O-N 2.94Å; P20-R23 CarbonylContact O-C 3.55Å; P20-R23 PolarHBondContact O-N 3.35Å; P20-F24 HydrophobicContact CB-CD2 3.87Å; P20-F24 HydrophobicContact CB-CE2 4Å; P20-F24 VanDerWaalsContact O-CB 3.3Å; P20-F24 WeakPolarHBondContact O-CB 3.18Å; P20-F24 WeakPolarHBondContact O-CD2 3.21Å; P20-F24 PolarHBondContact O-N 3.31Å
21	Y	43.5	Very low	59.7	Low	148 Å²	148	98.8 Å²	98.8	58%	0.58	45%	0.453	S	S	*	.	H	α-helix	trans	-60.6	-38.8	177.8	-162.7	-109.2	0	0	0	112.9	F17 L18 W19 R23 F24 N25	F17-Y21 WeakPolarHBondContact O-CB 3.18Å; F17-Y21 PolarHBondContact O-N 3.28Å; F17-Y21 VanDerWaalsContact O-N 3.15Å; L18-Y21 CarbonylContact O-C 3.58Å; L18-Y21 PolarHBondContact O-N 2.87Å; W19-Y21 VanDerWaalsContact C-N 3.29Å; W19-Y21 PolarHBondContact O-N 2.92Å; Y21-R23 VanDerWaalsContact C-N 3.33Å; Y21-F24 PolarHBondContact O-N 2.92Å; Y21-N25 WeakPolarHBondContact CD1-ND2 3.46Å; Y21-N25 WeakPolarHBondContact CE1-ND2 3.15Å; Y21-N25 WeakPolarHBondContact O-CB 3.45Å; Y21-N25 PolarHBondContact O-N 3.26Å; Y21-N25 PolarHBondContact O-ND2 2.98Å
22	K	47.5	Very low	60.8	Low	164 Å²	164	96.7 Å²	96.7	71%	0.713	44%	0.443	S	S	*	.	H	α-helix	trans	-70.4	-30.7	175	-161.7	179.4	-176.9	-172.9	0	111.9	L18 W19 P20	L18-K22 WeakPolarHBondContact O-CB 3.48Å; L18-K22 PolarHBondContact O-N 3.41Å; W19-K22 PolarHBondContact O-N 3.2Å; P20-K22 VanDerWaalsContact C-N 3.33Å; P20-K22 PolarHBondContact O-N 2.94Å
23	R	48.8	Very low	61.9	Low	220 Å²	220	95.1 Å²	95.1	83%	0.83	44%	0.439	S	S	*	.	H	α-helix	trans	-82	-26.1	176.8	-157.1	175.8	-176.7	174.2	1.5	113.4	W19 P20 Y21	W19-R23 WeakPolarHBondContact O-CB 3.25Å; W19-R23 PolarHBondContact O-N 3.47Å; W19-R23 VanDerWaalsContact O-N 3.08Å; P20-R23 CarbonylContact O-C 3.55Å; P20-R23 PolarHBondContact O-N 3.35Å; Y21-R23 VanDerWaalsContact C-N 3.33Å
24	F	44.1	Very low	63	Low	179 Å²	179	98.2 Å²	98.2	79%	0.785	46%	0.456	S	S	*	.	H	α-helix	trans	-90.8	-17.5	174.1	-78.9	-69.9	0	0	0	112.5	P20 Y21 C26	P20-F24 HydrophobicContact CB-CD2 3.87Å; P20-F24 HydrophobicContact CB-CE2 4Å; P20-F24 VanDerWaalsContact O-CB 3.3Å; P20-F24 WeakPolarHBondContact O-CB 3.18Å; P20-F24 WeakPolarHBondContact O-CD2 3.21Å; P20-F24 PolarHBondContact O-N 3.31Å; Y21-F24 PolarHBondContact O-N 2.92Å; F24-C26 PolarHBondContact O-N 3.07Å
25	N	47.3	Very low	64.3	Low	56 Å²	56	93 Å²	93	30%	0.299	44%	0.437	S	S	.	.	S	Bend	trans	-72.6	116.6	172.9	-88.2	-36.7	0	0	0	109.8	Y21 N27	Y21-N25 WeakPolarHBondContact CD1-ND2 3.46Å; Y21-N25 WeakPolarHBondContact CE1-ND2 3.15Å; Y21-N25 WeakPolarHBondContact O-CB 3.45Å; Y21-N25 PolarHBondContact O-N 3.26Å; Y21-N25 PolarHBondContact O-ND2 2.98Å; N25-N27 PolarHBondContact O-N 3.4Å
26	C	57.9	Low	65.4	Low	21 Å²	21	89.5 Å²	89.5	14%	0.142	42%	0.419	C	S	.	.			trans	-4.4	111.6	162.9	-77.5	0	0	0	0	114.4	F24 D28 C30 K31 E197	F24-C26 PolarHBondContact O-N 3.07Å; C26-D28 PolarHBondContact O-N 3.34Å; C26-C30 HydrophobicContact CB-CB 4.01Å; C26-K31 HydrophobicContact CB-CG 4.16Å; C26-E197 VanDerWaalsContact SG-CD 3.56Å; C26-E197 PolarHBondContact SG-OE1 2.83Å
27	N	68.8	Low	66.5	Low	42 Å²	42	94.6 Å²	94.6	23%	0.225	45%	0.447	C	S	.	.			trans	-37	137.5	165.8	-168.2	13.1	0	0	0	109.6	N25 I29 C30 Y54 Y55 I194	N25-N27 PolarHBondContact O-N 3.4Å; N27-I29 PolarHBondContact O-N 3.33Å; N27-C30 WeakPolarHBondContact O-CA 3.41Å; N27-C30 WeakPolarHBondContact O-CB 3.37Å; N27-C30 PolarHBondContact O-N 2.98Å; N27-Y54 PolarHBondContact OD1-OH 3.43Å; N27-Y55 PolarHBondContact ND2-OH 2.84Å; N27-Y55 PolarHBondContact OD1-OH 3.35Å; N27-I194 HydrophobicContact CB-CG2 4.11Å; N27-I194 WeakPolarHBondContact ND2-CG2 3.46Å
28	D	78.8	Confident	68	Low	92 Å²	92	91.6 Å²	91.6	49%	0.492	43%	0.433	S	S	.	.	H	α-helix	trans	-58.7	-30.6	-171.7	-67.3	-35.2	0	0	0	111.8	C26 C30 K31 N32 L35 Y54	C26-D28 PolarHBondContact O-N 3.34Å; D28-C30 PolarHBondContact O-N 3.29Å; D28-K31 PolarHBondContact O-N 3.31Å; D28-N32 PolarHBondContact O-N 3.47Å; D28-L35 HydrophobicContact CB-CD1 3.89Å; D28-Y54 HydrophobicContact CB-CE2 4.44Å; D28-Y54 PolarHBondContact N-OH 3.48Å
29	I	81.6	Confident	69.8	Low	1 Å²	1	91.8 Å²	91.8	1%	0.005	43%	0.431	C	S	.	.	H	α-helix	trans	-50.6	-38.6	167.6	-85.8	176.9	0	0	0	113.6	N27 K31 N32 L35 L36 Y54 Y55 I194 H203	N27-I29 PolarHBondContact O-N 3.33Å; I29-K31 VanDerWaalsContact C-N 3.27Å; I29-K31 PolarHBondContact O-N 2.98Å; I29-N32 CarbonylContact O-C 3.57Å; I29-L35 HydrophobicContact CG1-CB 3.62Å; I29-L36 HydrophobicContact CG2-CD2 3.41Å; I29-L36 VanDerWaalsContact CG2-CD2 3.41Å; I29-L36 HydrophobicContact CG2-CG 4.04Å; I29-Y54 HydrophobicContact CD1-CD1 3.16Å; I29-Y54 HydrophobicContact CD1-CD2 4.15Å; I29-Y54 HydrophobicContact CD1-CE1 3.46Å; I29-Y54 VanDerWaalsContact CD1-CE1 3.46Å; I29-Y54 HydrophobicContact CD1-CE2 4.42Å; I29-Y54 HydrophobicContact CD1-CG 3.51Å; I29-Y54 HydrophobicContact CG1-CD1 3.81Å; I29-Y54 HydrophobicContact CG1-CD2 4.01Å; I29-Y54 HydrophobicContact CG1-CE1 3.76Å; I29-Y54 HydrophobicContact CG1-CE2 3.99Å; I29-Y54 HydrophobicContact CG1-CG 3.9Å; I29-Y55 HydrophobicContact CD1-CD2 4.45Å; I29-Y55 HydrophobicContact CD1-CE2 4.09Å; I29-I194 HydrophobicContact CB-CD1 4.32Å; I29-I194 HydrophobicContact CD1-CD1 3.5Å; I29-I194 VanDerWaalsContact CD1-CD1 3.5Å; I29-I194 HydrophobicContact CG1-CD1 4.49Å; I29-I194 HydrophobicContact CG2-CD1 3.78Å; I29-I194 HydrophobicContact CG2-CG2 4.4Å; I29-H203 HydrophobicContact CD1-CB 4.48Å
30	C	83.7	Confident	71.9	Confident	26 Å²	26	84.8 Å²	84.8	18%	0.176	41%	0.407	C	S	.	.	H	α-helix	trans	-69.3	-27.2	179.4	-63	0	0	0	0	112.7	C26 N27 D28 R195 C196	C26-C30 HydrophobicContact CB-CB 4.01Å; N27-C30 WeakPolarHBondContact O-CA 3.41Å; N27-C30 WeakPolarHBondContact O-CB 3.37Å; N27-C30 PolarHBondContact O-N 2.98Å; D28-C30 PolarHBondContact O-N 3.29Å; C30-R195 PolarHBondContact SG-O 2.64Å; C30-C196 WeakPolarHBondContact CA-SG 3.38Å; C30-C196 HydrophobicContact CB-CB 3.61Å; C30-C196 WeakPolarHBondContact CB-SG 3.32Å; C30-C196 WeakPolarHBondContact SG-CA 3.3Å; C30-C196 WeakPolarHBondContact SG-CB 3.43Å; C30-C196 CovalentContact SG-SG 2.03Å; C30-C196 PolarHBondContact SG-SG 2.88Å
31	K	84.2	Confident	74.2	Confident	132 Å²	132	83.9 Å²	83.9	57%	0.574	40%	0.401	S	S	*	.	H	α-helix	trans	-92.5	-31.3	179.5	-63.7	-179.8	-175.7	171.1	0	112.3	C26 D28 I29	C26-K31 HydrophobicContact CB-CG 4.16Å; D28-K31 PolarHBondContact O-N 3.31Å; I29-K31 VanDerWaalsContact C-N 3.27Å; I29-K31 PolarHBondContact O-N 2.98Å
32	N	84.6	Confident	76.5	Confident	66 Å²	66	77.2 Å²	77.2	35%	0.353	38%	0.375	S	S	.	.			trans	-123.6	96.3	-179.3	-174.3	-1.9	0	0	0	110.2	D28 I29 D34 L35	D28-N32 PolarHBondContact O-N 3.47Å; I29-N32 CarbonylContact O-C 3.57Å; N32-D34 PolarHBondContact O-N 2.97Å; N32-D34 VanDerWaalsContact O-N 3.16Å; N32-D34 WeakPolarHBondContact OD1-CB 3.38Å; N32-D34 PolarHBondContact OD1-N 2.97Å; N32-D34 VanDerWaalsContact OD1-N 3.12Å; N32-L35 HydrophobicContact CB-CD1 3.87Å; N32-L35 HydrophobicContact CB-CG 4.01Å; N32-L35 WeakPolarHBondContact O-CB 3.39Å; N32-L35 PolarHBondContact O-N 3.35Å; N32-L35 VanDerWaalsContact O-N 3.07Å
33	P	81.6	Confident	78.7	Confident	71 Å²	71	71.5 Å²	71.5	46%	0.461	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-57.2	-25.6	177.8	-25.5	35.2	0	0	0	114.3	L35 L36	P33-L35 PolarHBondContact O-N 3.19Å; P33-L35 VanDerWaalsContact O-N 3.17Å; P33-L36 VanDerWaalsContact O-CB 3.26Å; P33-L36 WeakPolarHBondContact O-CB 3.12Å; P33-L36 WeakPolarHBondContact O-CG 3.19Å; P33-L36 PolarHBondContact O-N 3.15Å
34	D	83.7	Confident	80.9	Confident	129 Å²	129	64.9 Å²	64.9	69%	0.69	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.3	-23.3	178.7	-60.3	-24.8	0	0	0	111.7	N32 L36 N37 Y38	N32-D34 PolarHBondContact O-N 2.97Å; N32-D34 VanDerWaalsContact O-N 3.16Å; N32-D34 WeakPolarHBondContact OD1-CB 3.38Å; N32-D34 PolarHBondContact OD1-N 2.97Å; N32-D34 VanDerWaalsContact OD1-N 3.12Å; D34-L36 PolarHBondContact O-N 2.81Å; D34-N37 PolarHBondContact O-N 2.92Å; D34-Y38 PolarHBondContact O-N 3.38Å
35	L	85.2	Confident	83.3	Confident	34 Å²	34	59 Å²	59	18%	0.178	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-70.6	-14.9	175.7	-62.4	175.7	0	0	0	113.4	D28 I29 N32 P33 N37 Y38 Y54	D28-L35 HydrophobicContact CB-CD1 3.89Å; I29-L35 HydrophobicContact CG1-CB 3.62Å; N32-L35 HydrophobicContact CB-CD1 3.87Å; N32-L35 HydrophobicContact CB-CG 4.01Å; N32-L35 WeakPolarHBondContact O-CB 3.39Å; N32-L35 PolarHBondContact O-N 3.35Å; N32-L35 VanDerWaalsContact O-N 3.07Å; P33-L35 PolarHBondContact O-N 3.19Å; P33-L35 VanDerWaalsContact O-N 3.17Å; L35-N37 VanDerWaalsContact C-N 3.31Å; L35-Y38 HydrophobicContact CD2-CD2 4.37Å; L35-Y38 WeakPolarHBondContact O-CB 3.3Å; L35-Y38 PolarHBondContact O-N 2.96Å; L35-Y54 HydrophobicContact CB-CD2 4.1Å; L35-Y54 HydrophobicContact CB-CE2 4.41Å; L35-Y54 HydrophobicContact CD1-CD2 4.25Å; L35-Y54 HydrophobicContact CD1-CE2 3.84Å; L35-Y54 HydrophobicContact CD2-CD2 4.34Å; L35-Y54 HydrophobicContact CG-CD2 4.47Å
36	L	84.3	Confident	85.5	Confident	24 Å²	24	63.7 Å²	63.7	13%	0.126	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-67.5	-33.8	177	-70.9	169.4	0	0	0	112.8	I29 P33 D34 R201 H203	I29-L36 HydrophobicContact CG2-CD2 3.41Å; I29-L36 VanDerWaalsContact CG2-CD2 3.41Å; I29-L36 HydrophobicContact CG2-CG 4.04Å; P33-L36 VanDerWaalsContact O-CB 3.26Å; P33-L36 WeakPolarHBondContact O-CB 3.12Å; P33-L36 WeakPolarHBondContact O-CG 3.19Å; P33-L36 PolarHBondContact O-N 3.15Å; D34-L36 PolarHBondContact O-N 2.81Å; L36-R201 HydrophobicContact CD1-CB 4.37Å; L36-R201 HydrophobicContact CD2-CB 3.86Å; L36-H203 HydrophobicContact CD2-CB 4.36Å; L36-H203 PolarHBondContact O-CD2 3.02Å; L36-H203 VanDerWaalsContact O-CD2 3.23Å
37	N	84.1	Confident	87.3	Confident	142 Å²	142	65.7 Å²	65.7	76%	0.759	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-109.7	19.6	179.1	-59.7	-42.4	0	0	0	111	D34 L35 E39	D34-N37 PolarHBondContact O-N 2.92Å; L35-N37 VanDerWaalsContact C-N 3.31Å; N37-E39 PolarHBondContact O-N 3.48Å; N37-E39 VanDerWaalsContact O-N 3.12Å
38	Y	87.5	Confident	88.6	Confident	61 Å²	61	65.4 Å²	65.4	24%	0.239	35%	0.347	C	S	.	.			trans	-65	118	-178.6	177.1	-91.5	0	0	0	110.2	D34 L35 N40 L52 H53	D34-Y38 PolarHBondContact O-N 3.38Å; L35-Y38 HydrophobicContact CD2-CD2 4.37Å; L35-Y38 WeakPolarHBondContact O-CB 3.3Å; L35-Y38 PolarHBondContact O-N 2.96Å; Y38-N40 HydrophobicContact CE1-CB 4.28Å; Y38-L52 WeakPolarHBondContact CE1-O 3.19Å; Y38-H53 WeakPolarHBondContact O-CA 3Å; Y38-H53 PolarHBondContact O-ND1 3.26Å
39	E	93.4	Very high	89.4	Confident	84 Å²	84	62 Å²	62	39%	0.393	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.2	170.4	176.7	174.7	-144.4	0	0	108.6	N37 V41 R49 H53	N37-E39 PolarHBondContact O-N 3.48Å; N37-E39 VanDerWaalsContact O-N 3.12Å; E39-V41 HydrophobicContact CG-CG2 4.11Å; E39-R49 VanDerWaalsContact CD-NH2 3.26Å; E39-R49 IonicContact OE1-CZ 3.53Å; E39-R49 IonicContact OE1-NE 3.6Å; E39-R49 IonicContact OE1-NH2 3.41Å; E39-R49 PolarHBondContact OE1-NH2 3Å; E39-R49 IonicContact OE2-NH2 3.14Å; E39-R49 PolarHBondContact OE2-NH2 3.44Å; E39-H53 IonicContact OE1-CE1 3.85Å; E39-H53 IonicContact OE1-NE2 2.87Å
40	N	92.6	Very high	90.1	Very high	36 Å²	36	62 Å²	62	19%	0.193	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	102.3	170.8	-166.6	-22.2	0	0	0	109.7	Y38 I42 S51 L52 G252	Y38-N40 HydrophobicContact CE1-CB 4.28Å; N40-I42 PolarHBondContact O-N 3.31Å; N40-S51 CarbonylContact O-C 3.49Å; N40-S51 VanDerWaalsContact O-CA 3.32Å; N40-S51 WeakPolarHBondContact O-CA 3.12Å; N40-L52 PolarHBondContact N-O 3.25Å; N40-L52 PolarHBondContact O-N 2.84Å; N40-G252 WeakPolarHBondContact ND2-CA 3.48Å; N40-G252 PolarHBondContact ND2-O 3.27Å
41	V	94.4	Very high	90.7	Very high	34 Å²	34	60.7 Å²	60.7	21%	0.206	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	108.8	177.1	-175.9	0	0	0	0	109.5	E39 E44 R49 K251	E39-V41 HydrophobicContact CG-CG2 4.11Å; V41-E44 HydrophobicContact CG1-CB 3.93Å; V41-R49 HydrophobicContact CG1-CG 4.3Å; V41-R49 VanDerWaalsContact CG2-NH2 3.29Å; V41-K251 WeakPolarHBondContact O-CE 2.94Å; V41-K251 PolarHBondContact O-NZ 3.43Å
42	I	93.3	Very high	91.2	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-50.5	-178.3	-53.9	-56.5	0	0	0	109.9	N40 Y50 L52 K251 G252 D270	N40-I42 PolarHBondContact O-N 3.31Å; I42-Y50 HydrophobicContact CB-CD1 3.91Å; I42-Y50 WeakPolarHBondContact CB-O 3.05Å; I42-Y50 HydrophobicContact CG1-CD1 3.95Å; I42-Y50 HydrophobicContact CG1-CE1 4.27Å; I42-Y50 HydrophobicContact CG2-CD1 4.37Å; I42-Y50 PolarHBondContact N-O 3Å; I42-L52 HydrophobicContact CD1-CD1 3.91Å; I42-L52 HydrophobicContact CD1-CG 4.08Å; I42-L52 HydrophobicContact CG1-CD1 4.18Å; I42-L52 HydrophobicContact CG1-CG 3.9Å; I42-K251 WeakPolarHBondContact O-CD 3.02Å; I42-K251 WeakPolarHBondContact O-CE 2.99Å; I42-K251 PolarHBondContact O-NZ 3.31Å; I42-G252 VanDerWaalsContact CD1-CA 3.48Å; I42-D270 WeakPolarHBondContact CG2-O 2.97Å
43	I	92.9	Very high	91.6	Very high	45 Å²	45	51.7 Å²	51.7	23%	0.231	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.4	177.1	176.8	163.6	0	0	0	109.1	Y48 R49 Y50 V273	I43-Y48 HydrophobicContact CG1-CD1 4.49Å; I43-Y48 HydrophobicContact CG2-CD1 4Å; I43-Y48 HydrophobicContact CG2-CE1 3.7Å; I43-R49 CarbonylContact O-C 3.59Å; I43-R49 WeakPolarHBondContact O-CA 3.04Å; I43-Y50 PolarHBondContact N-O 3.46Å; I43-Y50 PolarHBondContact O-N 2.9Å; I43-V273 HydrophobicContact CD1-CG1 4.3Å; I43-V273 HydrophobicContact CD1-CG2 3.98Å
44	E	94.3	Very high	92	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	130.1	174.2	-175.1	167	157.2	0	0	109.1	V41 Y48 R49 K210 W211	V41-E44 HydrophobicContact CG1-CB 3.93Å; E44-Y48 CarbonylContact C-O 3.58Å; E44-Y48 WeakPolarHBondContact CA-O 3.41Å; E44-R49 HydrophobicContact CG-CB 4.44Å; E44-R49 HydrophobicContact CG-CG 4.47Å; E44-R49 IonicContact OE1-NH1 2.64Å; E44-R49 IonicContact OE2-CZ 3.67Å; E44-R49 IonicContact OE2-NE 3.91Å; E44-R49 IonicContact OE2-NH1 2.64Å; E44-R49 PolarHBondContact OE2-NH1 2.99Å; E44-K210 IonicContact OE1-NZ 3.72Å; E44-K210 PolarHBondContact OE1-NZ 3.08Å; E44-W211 HydrophobicContact CG-CZ2 4.06Å
45	S	94.2	Very high	92.4	Very high	55 Å²	55	45.3 Å²	45.3	39%	0.385	23%	0.234	S	C	.	.			trans	-131	-173.2	168.5	73.1	0	0	0	0	108.8	S47 Y48 W211	S45-S47 PolarHBondContact O-N 3.42Å; S45-S47 PolarHBondContact OG-N 2.9Å; S45-Y48 PolarHBondContact N-O 3.46Å; S45-Y48 WeakPolarHBondContact OG-CB 3.34Å; S45-Y48 PolarHBondContact OG-N 3.27Å; S45-Y48 VanDerWaalsContact OG-N 3.12Å; S45-W211 VanDerWaalsContact O-CH2 3.25Å; S45-W211 WeakPolarHBondContact O-CH2 3.48Å
46	D	93.8	Very high	92.8	Very high	156 Å²	156	44 Å²	44	83%	0.834	23%	0.226	S	C	*	.	S	Bend	trans	-69	-20.3	177.2	-64.5	-24.8	0	0	0	113.8	H62	D46-H62 PolarHBondContact O-CD2 3.36Å
47	S	95.6	Very high	93.3	Very high	62 Å²	62	43 Å²	43	43%	0.434	22%	0.221	S	C	.	.	S	Bend	trans	-121.9	-7.7	-174.9	63.4	0	0	0	0	114.8	S45 H62	S45-S47 PolarHBondContact O-N 3.42Å; S45-S47 PolarHBondContact OG-N 2.9Å; S47-H62 PolarHBondContact O-N 3.33Å
48	Y	96.4	Very high	93.9	Very high	36 Å²	36	36.2 Å²	36.2	14%	0.141	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.1	-172.5	-170.3	-95.3	0	0	0	111.8	I43 E44 S45 R59 I60 Q61 D270	I43-Y48 HydrophobicContact CG1-CD1 4.49Å; I43-Y48 HydrophobicContact CG2-CD1 4Å; I43-Y48 HydrophobicContact CG2-CE1 3.7Å; E44-Y48 CarbonylContact C-O 3.58Å; E44-Y48 WeakPolarHBondContact CA-O 3.41Å; S45-Y48 PolarHBondContact N-O 3.46Å; S45-Y48 WeakPolarHBondContact OG-CB 3.34Å; S45-Y48 PolarHBondContact OG-N 3.27Å; S45-Y48 VanDerWaalsContact OG-N 3.12Å; Y48-R59 HydrophobicContact CE2-CG 3.88Å; Y48-R59 WeakPolarHBondContact OH-CD 3.36Å; Y48-R59 PolarHBondContact OH-NE 3.49Å; Y48-I60 CarbonylContact C-O 3.57Å; Y48-I60 WeakPolarHBondContact CA-O 3.33Å; Y48-Q61 HydrophobicContact CD2-CG 3.77Å; Y48-Q61 HydrophobicContact CE2-CG 3.72Å; Y48-D270 VanDerWaalsContact CE1-OD1 3.3Å; Y48-D270 WeakPolarHBondContact CE1-OD1 3.3Å; Y48-D270 VanDerWaalsContact CZ-OD1 3.27Å; Y48-D270 PolarHBondContact OH-OD1 3.18Å; Y48-D270 PolarHBondContact OH-OD2 3.14Å
49	R	96.5	Very high	94.3	Very high	20 Å²	20	33.6 Å²	33.6	8%	0.075	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.3	169.7	176.8	172.6	171.7	141.7	-11.2	110.5	E39 V41 I43 E44 R59 I60 W211	E39-R49 VanDerWaalsContact CD-NH2 3.26Å; E39-R49 IonicContact OE1-CZ 3.53Å; E39-R49 IonicContact OE1-NE 3.6Å; E39-R49 IonicContact OE1-NH2 3.41Å; E39-R49 PolarHBondContact OE1-NH2 3Å; E39-R49 IonicContact OE2-NH2 3.14Å; E39-R49 PolarHBondContact OE2-NH2 3.44Å; V41-R49 HydrophobicContact CG1-CG 4.3Å; V41-R49 VanDerWaalsContact CG2-NH2 3.29Å; I43-R49 CarbonylContact O-C 3.59Å; I43-R49 WeakPolarHBondContact O-CA 3.04Å; E44-R49 HydrophobicContact CG-CB 4.44Å; E44-R49 HydrophobicContact CG-CG 4.47Å; E44-R49 IonicContact OE1-NH1 2.64Å; E44-R49 IonicContact OE2-CZ 3.67Å; E44-R49 IonicContact OE2-NE 3.91Å; E44-R49 IonicContact OE2-NH1 2.64Å; E44-R49 PolarHBondContact OE2-NH1 2.99Å; R49-R59 CarbonylContact O-C 3.5Å; R49-R59 WeakPolarHBondContact O-CA 3.49Å; R49-I60 HydrophobicContact CB-CB 4.26Å; R49-I60 PolarHBondContact N-O 3.27Å; R49-I60 PolarHBondContact O-N 3.05Å; R49-W211 HydrophobicContact CB-CH2 3.81Å; R49-W211 HydrophobicContact CB-CZ2 3.57Å; R49-W211 HydrophobicContact CB-CZ3 4.43Å; R49-W211 HydrophobicContact CG-CZ2 4.41Å
50	Y	96.1	Very high	94.5	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.2	169.5	-177	-111	0	0	0	109.8	I42 I43 L52 S57 M58 R59 D270	I42-Y50 HydrophobicContact CB-CD1 3.91Å; I42-Y50 WeakPolarHBondContact CB-O 3.05Å; I42-Y50 HydrophobicContact CG1-CD1 3.95Å; I42-Y50 HydrophobicContact CG1-CE1 4.27Å; I42-Y50 HydrophobicContact CG2-CD1 4.37Å; I42-Y50 PolarHBondContact N-O 3Å; I43-Y50 PolarHBondContact N-O 3.46Å; I43-Y50 PolarHBondContact O-N 2.9Å; Y50-L52 HydrophobicContact CE1-CD2 3.9Å; Y50-S57 WeakPolarHBondContact OH-CB 3.35Å; Y50-M58 WeakPolarHBondContact CA-O 3.32Å; Y50-M58 WeakPolarHBondContact CD2-O 3.37Å; Y50-R59 HydrophobicContact CD2-CB 4.03Å; Y50-R59 HydrophobicContact CD2-CG 4.49Å; Y50-D270 HydrophobicContact CD1-CB 3.56Å; Y50-D270 HydrophobicContact CE1-CB 3.86Å; Y50-D270 HydrophobicContact CG-CB 4.01Å
51	S	96	Very high	94.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.4	-180	55.8	0	0	0	0	111.6	N40 H53 S57 M58	N40-S51 CarbonylContact O-C 3.49Å; N40-S51 VanDerWaalsContact O-CA 3.32Å; N40-S51 WeakPolarHBondContact O-CA 3.12Å; S51-H53 PolarHBondContact OG-NE2 2.95Å; S51-S57 CarbonylContact O-C 3.58Å; S51-S57 WeakPolarHBondContact O-CA 3.3Å; S51-M58 PolarHBondContact N-O 3.31Å; S51-M58 PolarHBondContact O-N 2.8Å; S51-M58 VanDerWaalsContact OG-CE 3.31Å; S51-M58 WeakPolarHBondContact OG-CE 3.37Å
52	L	94.5	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126	172	-59.1	-179.7	0	0	0	109.2	Y38 N40 I42 Y50 I223 C249 K254 I256	Y38-L52 WeakPolarHBondContact CE1-O 3.19Å; N40-L52 PolarHBondContact N-O 3.25Å; N40-L52 PolarHBondContact O-N 2.84Å; I42-L52 HydrophobicContact CD1-CD1 3.91Å; I42-L52 HydrophobicContact CD1-CG 4.08Å; I42-L52 HydrophobicContact CG1-CD1 4.18Å; I42-L52 HydrophobicContact CG1-CG 3.9Å; Y50-L52 HydrophobicContact CE1-CD2 3.9Å; L52-I223 HydrophobicContact CD2-CD1 4.15Å; L52-C249 HydrophobicContact CD1-CB 4.17Å; L52-K254 HydrophobicContact CD1-CB 4.28Å; L52-K254 HydrophobicContact CD1-CD 4.38Å; L52-I256 HydrophobicContact CD1-CG2 4.21Å; L52-I256 HydrophobicContact CD2-CD1 4.49Å; L52-I256 HydrophobicContact CD2-CG2 4.29Å
53	H	93.7	Very high	94.9	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-176.2	168.8	-56.4	-90.9	0	0	0	109.2	Y38 E39 S51 Y56 I205 I223 K254	Y38-H53 WeakPolarHBondContact O-CA 3Å; Y38-H53 PolarHBondContact O-ND1 3.26Å; E39-H53 IonicContact OE1-CE1 3.85Å; E39-H53 IonicContact OE1-NE2 2.87Å; S51-H53 PolarHBondContact OG-NE2 2.95Å; H53-Y56 CarbonylContact C-O 3.54Å; H53-Y56 WeakPolarHBondContact CA-O 3.29Å; H53-Y56 VanDerWaalsContact CB-O 3.27Å; H53-Y56 WeakPolarHBondContact CB-O 3.32Å; H53-Y56 PolarHBondContact N-O 3.05Å; H53-I205 HydrophobicContact CB-CD1 3.71Å; H53-I205 HydrophobicContact CB-CG1 3.99Å; H53-I223 WeakPolarHBondContact O-CD1 3.44Å; H53-K254 PolarHBondContact O-NZ 3.45Å
54	Y	89.8	Confident	95.1	Very high	42 Å²	42	35.3 Å²	35.3	17%	0.165	18%	0.182	C	C	.	.	S	Bend	trans	-64.1	-53.8	-177.2	-174.5	-96.2	0	0	0	111.7	N27 D28 I29 L35 K254	N27-Y54 PolarHBondContact OD1-OH 3.43Å; D28-Y54 HydrophobicContact CB-CE2 4.44Å; D28-Y54 PolarHBondContact N-OH 3.48Å; I29-Y54 HydrophobicContact CD1-CD1 3.16Å; I29-Y54 HydrophobicContact CD1-CD2 4.15Å; I29-Y54 HydrophobicContact CD1-CE1 3.46Å; I29-Y54 VanDerWaalsContact CD1-CE1 3.46Å; I29-Y54 HydrophobicContact CD1-CE2 4.42Å; I29-Y54 HydrophobicContact CD1-CG 3.51Å; I29-Y54 HydrophobicContact CG1-CD1 3.81Å; I29-Y54 HydrophobicContact CG1-CD2 4.01Å; I29-Y54 HydrophobicContact CG1-CE1 3.76Å; I29-Y54 HydrophobicContact CG1-CE2 3.99Å; I29-Y54 HydrophobicContact CG1-CG 3.9Å; L35-Y54 HydrophobicContact CB-CD2 4.1Å; L35-Y54 HydrophobicContact CB-CE2 4.41Å; L35-Y54 HydrophobicContact CD1-CD2 4.25Å; L35-Y54 HydrophobicContact CD1-CE2 3.84Å; L35-Y54 HydrophobicContact CD2-CD2 4.34Å; L35-Y54 HydrophobicContact CG-CD2 4.47Å; Y54-K254 PolarHBondContact O-NZ 3.22Å
55	Y	90.9	Very high	95.2	Very high	25 Å²	25	36.4 Å²	36.4	10%	0.098	20%	0.197	C	C	.	.	S	Bend	trans	-97.7	-19	-178.5	-82.7	-68.6	0	0	0	115.6	N27 I29 Y92 I194 I223	N27-Y55 PolarHBondContact ND2-OH 2.84Å; N27-Y55 PolarHBondContact OD1-OH 3.35Å; I29-Y55 HydrophobicContact CD1-CD2 4.45Å; I29-Y55 HydrophobicContact CD1-CE2 4.09Å; Y55-Y92 AromaticContact CD2-CD1 3.35Å; Y55-Y92 HydrophobicContact CD2-CD1 3.35Å; Y55-Y92 AromaticContact CD2-CE1 3.66Å; Y55-Y92 HydrophobicContact CD2-CE1 3.66Å; Y55-Y92 HydrophobicContact CD2-CG 4.47Å; Y55-Y92 AromaticContact CE2-CD1 3.98Å; Y55-Y92 HydrophobicContact CE2-CD1 3.98Å; Y55-Y92 AromaticContact CG-CD1 3.78Å; Y55-Y92 HydrophobicContact CG-CD1 3.78Å; Y55-Y92 HydrophobicContact CG-CE1 4.19Å; Y55-I194 HydrophobicContact CD2-CD1 4.48Å; Y55-I194 HydrophobicContact CE2-CD1 3.76Å; Y55-I194 HydrophobicContact CE2-CG1 4.3Å; Y55-I223 PolarHBondContact O-N 3.28Å
56	Y	94.2	Very high	95.2	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.02	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149	-171.6	-70.6	-95.6	0	0	0	111	H53 Y91 Y92 I190 I205 E221 A222 I223	H53-Y56 CarbonylContact C-O 3.54Å; H53-Y56 WeakPolarHBondContact CA-O 3.29Å; H53-Y56 VanDerWaalsContact CB-O 3.27Å; H53-Y56 WeakPolarHBondContact CB-O 3.32Å; H53-Y56 PolarHBondContact N-O 3.05Å; Y56-Y91 WeakPolarHBondContact OH-CA 3.26Å; Y56-Y92 HydrophobicContact CD2-CE2 4.21Å; Y56-Y92 HydrophobicContact CE2-CD1 4.32Å; Y56-Y92 AromaticContact CE2-CD2 3.52Å; Y56-Y92 HydrophobicContact CE2-CD2 3.52Å; Y56-Y92 HydrophobicContact CE2-CE1 4.3Å; Y56-Y92 AromaticContact CE2-CE2 3.54Å; Y56-Y92 HydrophobicContact CE2-CE2 3.54Å; Y56-Y92 AromaticContact CE2-CG 3.95Å; Y56-Y92 HydrophobicContact CE2-CG 3.95Å; Y56-Y92 AromaticContact CE2-CZ 3.94Å; Y56-Y92 PolarHBondContact OH-N 3.33Å; Y56-I190 HydrophobicContact CD1-CD1 4.24Å; Y56-I190 HydrophobicContact CD2-CD1 3.85Å; Y56-I190 HydrophobicContact CE1-CD1 4.42Å; Y56-I190 HydrophobicContact CE2-CD1 4.08Å; Y56-I190 HydrophobicContact CG-CD1 3.96Å; Y56-I205 HydrophobicContact CD2-CD1 3.92Å; Y56-I205 HydrophobicContact CG-CD1 4.19Å; Y56-E221 CarbonylContact C-O 3.54Å; Y56-E221 VanDerWaalsContact CA-O 3.26Å; Y56-E221 WeakPolarHBondContact CA-O 3.33Å; Y56-A222 HydrophobicContact CD1-CB 4.24Å; Y56-A222 HydrophobicContact CE1-CB 3.94Å; Y56-I223 VanDerWaalsContact C-CD1 3.45Å; Y56-I223 WeakPolarHBondContact O-CD1 3.43Å
57	S	94.5	Very high	95.3	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.6	156	54	0	0	0	0	108.8	Y50 S51 Y220 E221	Y50-S57 WeakPolarHBondContact OH-CB 3.35Å; S51-S57 CarbonylContact O-C 3.58Å; S51-S57 WeakPolarHBondContact O-CA 3.3Å; S57-Y220 WeakPolarHBondContact O-CA 3.35Å; S57-E221 PolarHBondContact N-O 3.37Å; S57-E221 PolarHBondContact O-N 2.87Å; S57-E221 PolarHBondContact OG-O 3.14Å
58	M	97	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.5	173.9	-179.8	179.6	62	0	0	109	Y50 S51 I60 V218 E219 Y220	Y50-M58 WeakPolarHBondContact CA-O 3.32Å; Y50-M58 WeakPolarHBondContact CD2-O 3.37Å; S51-M58 PolarHBondContact N-O 3.31Å; S51-M58 PolarHBondContact O-N 2.8Å; S51-M58 VanDerWaalsContact OG-CE 3.31Å; S51-M58 WeakPolarHBondContact OG-CE 3.37Å; M58-I60 HydrophobicContact CE-CD1 3.93Å; M58-I60 HydrophobicContact CE-CG1 4.44Å; M58-I60 HydrophobicContact CG-CG1 4.12Å; M58-I60 HydrophobicContact SD-CD1 4.07Å; M58-I60 HydrophobicContact SD-CG1 4.26Å; M58-V218 HydrophobicContact CG-CG1 3.9Å; M58-V218 HydrophobicContact SD-CG1 4.08Å; M58-E219 CarbonylContact C-O 3.58Å; M58-E219 VanDerWaalsContact CA-O 3.32Å; M58-E219 WeakPolarHBondContact CA-O 3.38Å; M58-Y220 HydrophobicContact CB-CD1 4.1Å; M58-Y220 HydrophobicContact CB-CE1 4.04Å; M58-Y220 HydrophobicContact CG-CD1 4.22Å; M58-Y220 HydrophobicContact CG-CE1 3.84Å; M58-Y220 HydrophobicContact SD-CE1 3.76Å
59	R	96.7	Very high	95.2	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.6	168.8	-173.2	179.7	-68.5	114.5	3.1	109	Y48 R49 Y50 Q61 V218 E219 D270	Y48-R59 HydrophobicContact CE2-CG 3.88Å; Y48-R59 WeakPolarHBondContact OH-CD 3.36Å; Y48-R59 PolarHBondContact OH-NE 3.49Å; R49-R59 CarbonylContact O-C 3.5Å; R49-R59 WeakPolarHBondContact O-CA 3.49Å; Y50-R59 HydrophobicContact CD2-CB 4.03Å; Y50-R59 HydrophobicContact CD2-CG 4.49Å; R59-Q61 HydrophobicContact CG-CG 3.98Å; R59-V218 CarbonylContact O-C 3.52Å; R59-V218 WeakPolarHBondContact O-CA 3.32Å; R59-E219 HydrophobicContact CB-CB 4.4Å; R59-E219 PolarHBondContact N-O 3.09Å; R59-E219 IonicContact NH1-OE2 3.79Å; R59-E219 PolarHBondContact NH1-OE2 2.71Å; R59-E219 PolarHBondContact O-N 2.77Å; R59-D270 IonicContact CZ-OD2 3.51Å; R59-D270 IonicContact NE-OD2 2.93Å; R59-D270 PolarHBondContact NE-OD2 3.06Å; R59-D270 IonicContact NH2-OD2 3.78Å; R59-D270 PolarHBondContact NH2-OD2 2.73Å
60	I	98.1	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.2	174.2	-50.4	178	0	0	0	108.4	Y48 R49 M58 V207 W211 T216 L217 V218	Y48-I60 CarbonylContact C-O 3.57Å; Y48-I60 WeakPolarHBondContact CA-O 3.33Å; R49-I60 HydrophobicContact CB-CB 4.26Å; R49-I60 PolarHBondContact N-O 3.27Å; R49-I60 PolarHBondContact O-N 3.05Å; M58-I60 HydrophobicContact CE-CD1 3.93Å; M58-I60 HydrophobicContact CE-CG1 4.44Å; M58-I60 HydrophobicContact CG-CG1 4.12Å; M58-I60 HydrophobicContact SD-CD1 4.07Å; M58-I60 HydrophobicContact SD-CG1 4.26Å; I60-V207 HydrophobicContact CD1-CG1 4.29Å; I60-W211 HydrophobicContact CB-CD2 4.27Å; I60-W211 HydrophobicContact CB-CE3 3.94Å; I60-W211 HydrophobicContact CB-CZ3 4.4Å; I60-W211 HydrophobicContact CD1-CB 4.01Å; I60-W211 HydrophobicContact CD1-CD2 4Å; I60-W211 HydrophobicContact CD1-CG 3.71Å; I60-W211 HydrophobicContact CG2-CB 4.02Å; I60-W211 HydrophobicContact CG2-CD2 3.77Å; I60-W211 HydrophobicContact CG2-CE3 3.25Å; I60-W211 HydrophobicContact CG2-CG 4.08Å; I60-W211 HydrophobicContact CG2-CZ3 4.01Å; I60-T216 HydrophobicContact CG2-CG2 3.45Å; I60-T216 VanDerWaalsContact CG2-CG2 3.45Å; I60-L217 WeakPolarHBondContact CA-O 3.47Å; I60-V218 HydrophobicContact CG1-CG1 4.19Å; I60-V218 HydrophobicContact CG1-CG2 4.19Å; I60-V218 HydrophobicContact CG2-CG2 4.11Å
61	Q	97.7	Very high	94.9	Very high	34 Å²	34	38.7 Å²	38.7	16%	0.159	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.6	-179.8	-53.9	-172.7	87.6	0	0	109.6	Y48 R59 Q64 T216 L217	Y48-Q61 HydrophobicContact CD2-CG 3.77Å; Y48-Q61 HydrophobicContact CE2-CG 3.72Å; R59-Q61 HydrophobicContact CG-CG 3.98Å; Q61-Q64 HydrophobicContact CB-CG 3.62Å; Q61-Q64 WeakPolarHBondContact O-CG 3.44Å; Q61-T216 WeakPolarHBondContact O-CA 3.26Å; Q61-T216 WeakPolarHBondContact O-CG2 3.47Å; Q61-L217 PolarHBondContact N-O 2.81Å; Q61-L217 PolarHBondContact O-N 3.08Å
62	H	96.2	Very high	94.9	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.056	23%	0.226	C	C	.	.	S	Bend	trans	-83.9	165.2	171.9	-69.4	-36.4	0	0	0	112.2	D46 S47 Q64 W211 K213 G215 T216	D46-H62 PolarHBondContact O-CD2 3.36Å; S47-H62 PolarHBondContact O-N 3.33Å; H62-Q64 PolarHBondContact O-N 2.74Å; H62-Q64 PolarHBondContact O-NE2 3.45Å; H62-W211 AromaticContact CD2-CE3 3.82Å; H62-W211 AromaticContact CD2-CZ3 3.58Å; H62-W211 AromaticContact CE1-CE3 3.21Å; H62-W211 AromaticContact CE1-CZ3 3.8Å; H62-W211 AromaticContact ND1-CE3 4Å; H62-W211 AromaticContact NE2-CD2 3.97Å; H62-W211 AromaticContact NE2-CE3 3.07Å; H62-W211 AromaticContact NE2-CZ3 3.29Å; H62-W211 VanDerWaalsContact NE2-CZ3 3.29Å; H62-W211 WeakPolarHBondContact NE2-CZ3 3.33Å; H62-K213 WeakPolarHBondContact CD2-CE 3.29Å; H62-K213 PolarHBondContact CD2-NZ 2.93Å; H62-K213 VanDerWaalsContact CD2-NZ 3.28Å; H62-K213 WeakPolarHBondContact CE1-CE 3.25Å; H62-K213 VanDerWaalsContact ND1-CE 3.29Å; H62-K213 WeakPolarHBondContact ND1-CE 3.29Å; H62-K213 WeakPolarHBondContact NE2-CE 3.35Å; H62-K213 PolarHBondContact NE2-NZ 3Å; H62-K213 VanDerWaalsContact NE2-NZ 3.19Å; H62-G215 CarbonylContact C-O 3.55Å; H62-T216 PolarHBondContact CE1-OG1 3.44Å; H62-T216 VanDerWaalsContact CE1-OG1 3.26Å; H62-T216 WeakPolarHBondContact ND1-CB 3.34Å; H62-T216 WeakPolarHBondContact ND1-CG2 3.38Å; H62-T216 PolarHBondContact ND1-OG1 2.86Å
63	N	95	Very high	94.9	Very high	136 Å²	136	44.3 Å²	44.3	73%	0.727	23%	0.229	S	C	*	.	S	Bend	trans	54.1	34.9	176.2	-53.6	-30.3	0	0	0	113.1	G215	N63-G215 WeakPolarHBondContact CA-O 3.3Å; N63-G215 PolarHBondContact N-O 3.47Å
64	Q	96.9	Very high	94.5	Very high	59 Å²	59	51.9 Å²	51.9	28%	0.276	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-83.1	143.4	175.7	-62.6	-54.1	-64.6	0	0	109.9	Q61 H62 Y173 G215 L217	Q61-Q64 HydrophobicContact CB-CG 3.62Å; Q61-Q64 WeakPolarHBondContact O-CG 3.44Å; H62-Q64 PolarHBondContact O-N 2.74Å; H62-Q64 PolarHBondContact O-NE2 3.45Å; Q64-Y173 HydrophobicContact CB-CE2 4.42Å; Q64-Y173 PolarHBondContact O-OH 2.84Å; Q64-G215 PolarHBondContact N-O 3.16Å; Q64-L217 HydrophobicContact CB-CB 3.96Å; Q64-L217 HydrophobicContact CG-CB 3.8Å
65	P	96	Very high	94.4	Very high	104 Å²	104	55 Å²	55	68%	0.675	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-64.2	159.7	168.3	30.5	-35	0	0	0	109.9	P67	P65-P67 WeakPolarHBondContact O-CD 3.09Å
66	Q	94.9	Very high	94.4	Very high	65 Å²	65	60.1 Å²	60.1	30%	0.304	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-60.5	122.8	174.5	-166.9	-176.8	24.6	0	0	109.6	V68 S70 Y173 D175	Q66-V68 WeakPolarHBondContact CG-O 3.31Å; Q66-V68 PolarHBondContact NE2-O 3.3Å; Q66-V68 VanDerWaalsContact NE2-O 3.12Å; Q66-V68 PolarHBondContact O-N 3.24Å; Q66-S70 PolarHBondContact NE2-OG 3.24Å; Q66-Y173 VanDerWaalsContact CA-CZ 3.49Å; Q66-Y173 HydrophobicContact CB-CE1 3.81Å; Q66-Y173 HydrophobicContact CG-CD1 4.03Å; Q66-Y173 HydrophobicContact CG-CE1 3.63Å; Q66-Y173 PolarHBondContact N-OH 3.06Å; Q66-D175 PolarHBondContact NE2-OD1 2.87Å
67	P	94.5	Very high	94	Very high	59 Å²	59	61.1 Å²	61.1	38%	0.383	31%	0.309	S	S	.	.	S	Bend	trans	-66.6	-27.1	-178.3	25	-34.1	0	0	0	112.3	P65 L163 Y173 L217	P65-P67 WeakPolarHBondContact O-CD 3.09Å; P67-L163 HydrophobicContact CB-CD1 3.96Å; P67-L163 HydrophobicContact CG-CD1 3.62Å; P67-Y173 VanDerWaalsContact CD-CG 3.44Å; P67-Y173 HydrophobicContact CG-CD2 4.3Å; P67-Y173 HydrophobicContact CG-CG 4.03Å; P67-L217 HydrophobicContact CG-CD1 4.33Å
68	V	95.4	Very high	93.3	Very high	6 Å²	6	68.9 Å²	68.9	4%	0.036	34%	0.343	C	S	.	.	S	Bend	trans	-142.3	119	-178	-178.6	0	0	0	0	108.7	Q66 S70 R72 F73 L135 L140 L163	Q66-V68 WeakPolarHBondContact CG-O 3.31Å; Q66-V68 PolarHBondContact NE2-O 3.3Å; Q66-V68 VanDerWaalsContact NE2-O 3.12Å; Q66-V68 PolarHBondContact O-N 3.24Å; V68-S70 PolarHBondContact O-N 2.86Å; V68-R72 HydrophobicContact CG1-CB 4.2Å; V68-F73 HydrophobicContact CB-CE2 4.16Å; V68-F73 HydrophobicContact CB-CZ 4.45Å; V68-F73 HydrophobicContact CG1-CE2 3.75Å; V68-F73 HydrophobicContact CG1-CZ 4.16Å; V68-L135 HydrophobicContact CG1-CD2 3.59Å; V68-L140 HydrophobicContact CG2-CD2 3.78Å; V68-L163 HydrophobicContact CG2-CD1 3.68Å; V68-L163 HydrophobicContact CG2-CD2 3.96Å
69	P	94.9	Very high	92.4	Very high	58 Å²	58	70.9 Å²	70.9	38%	0.377	36%	0.363	S	S	.	.			trans	-55.6	136.3	179.6	-26.2	33.7	0	0	0	113.3	E71 R72	P69-E71 VanDerWaalsContact CB-OE2 3.23Å; P69-E71 WeakPolarHBondContact CB-OE2 3.19Å; P69-E71 PolarHBondContact O-N 2.71Å; P69-E71 VanDerWaalsContact O-N 3.12Å; P69-R72 HydrophobicContact CB-CG 4.48Å; P69-R72 WeakPolarHBondContact O-CB 3.38Å; P69-R72 PolarHBondContact O-N 3.04Å
70	S	93.2	Very high	91.9	Very high	43 Å²	43	76.7 Å²	76.7	30%	0.301	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-56.3	-30.2	-178	-68.5	0	0	0	0	113.5	Q66 V68 R72 F73 Q144	Q66-S70 PolarHBondContact NE2-OG 3.24Å; V68-S70 PolarHBondContact O-N 2.86Å; S70-R72 PolarHBondContact O-N 3.44Å; S70-R72 VanDerWaalsContact O-N 3.08Å; S70-F73 PolarHBondContact O-N 3Å; S70-F73 VanDerWaalsContact O-N 3.08Å; S70-Q144 PolarHBondContact OG-NE2 3.42Å; S70-Q144 VanDerWaalsContact OG-NE2 3.08Å
71	E	93.3	Very high	91.3	Very high	147 Å²	147	78.4 Å²	78.4	69%	0.687	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.2	-12.8	-179.8	-52	86.3	176.2	0	0	113.5	P69 K74	P69-E71 VanDerWaalsContact CB-OE2 3.23Å; P69-E71 WeakPolarHBondContact CB-OE2 3.19Å; P69-E71 PolarHBondContact O-N 2.71Å; P69-E71 VanDerWaalsContact O-N 3.12Å; E71-K74 WeakPolarHBondContact O-CE 3.44Å; E71-K74 WeakPolarHBondContact O-CG 3.46Å
72	R	95.4	Very high	90.9	Very high	103 Å²	103	81.1 Å²	81.1	39%	0.389	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-76.5	-24.8	174.9	-61.7	-174.1	70.7	-177.2	8.4	112.3	V68 P69 S70 K74 L135 E137	V68-R72 HydrophobicContact CG1-CB 4.2Å; P69-R72 HydrophobicContact CB-CG 4.48Å; P69-R72 WeakPolarHBondContact O-CB 3.38Å; P69-R72 PolarHBondContact O-N 3.04Å; S70-R72 PolarHBondContact O-N 3.44Å; S70-R72 VanDerWaalsContact O-N 3.08Å; R72-K74 VanDerWaalsContact C-N 3.34Å; R72-K74 PolarHBondContact O-N 3.47Å; R72-L135 HydrophobicContact CB-CD1 4.14Å; R72-L135 HydrophobicContact CB-CD2 4.32Å; R72-E137 IonicContact CZ-OE1 2.6Å; R72-E137 IonicContact CZ-OE2 2.66Å; R72-E137 IonicContact NE-OE1 3.97Å; R72-E137 IonicContact NH2-OE1 3.65Å; R72-E137 PolarHBondContact NH2-OE1 3.33Å; R72-E137 IonicContact NH2-OE2 3.43Å; R72-E137 PolarHBondContact NH2-OE2 2.98Å
73	F	94.7	Very high	90.5	Very high	15 Å²	15	81 Å²	81	7%	0.066	42%	0.418	C	S	.	.			trans	-81.9	75.2	179.4	-64.8	-93.3	0	0	0	111.4	V68 S70 A133 L135 Q144 T161 L163	V68-F73 HydrophobicContact CB-CE2 4.16Å; V68-F73 HydrophobicContact CB-CZ 4.45Å; V68-F73 HydrophobicContact CG1-CE2 3.75Å; V68-F73 HydrophobicContact CG1-CZ 4.16Å; S70-F73 PolarHBondContact O-N 3Å; S70-F73 VanDerWaalsContact O-N 3.08Å; F73-A133 HydrophobicContact CB-CB 3.82Å; F73-A133 WeakPolarHBondContact O-CB 3.49Å; F73-L135 HydrophobicContact CD1-CB 3.78Å; F73-L135 HydrophobicContact CE1-CB 3.78Å; F73-L135 HydrophobicContact CG-CB 4.4Å; F73-L135 HydrophobicContact CZ-CB 4.38Å; F73-L135 HydrophobicContact CZ-CD2 4.45Å; F73-Q144 HydrophobicContact CB-CB 4.27Å; F73-Q144 HydrophobicContact CD1-CB 3.6Å; F73-Q144 HydrophobicContact CD2-CB 4.14Å; F73-Q144 HydrophobicContact CE1-CB 3.86Å; F73-Q144 HydrophobicContact CE2-CB 4.38Å; F73-Q144 HydrophobicContact CG-CB 3.75Å; F73-Q144 HydrophobicContact CZ-CB 4.25Å; F73-T161 HydrophobicContact CE1-CG2 4.19Å; F73-T161 HydrophobicContact CE2-CG2 4.24Å; F73-T161 HydrophobicContact CZ-CG2 3.55Å; F73-L163 HydrophobicContact CZ-CD2 3.96Å
74	K	85.4	Confident	90	Very high	167 Å²	167	79.4 Å²	79.4	73%	0.726	41%	0.41	S	S	*	.			trans	-88.6	-27.6	-172.1	-62.8	178.9	-176.7	177.2	0	114	E71 R72 K76	E71-K74 WeakPolarHBondContact O-CE 3.44Å; E71-K74 WeakPolarHBondContact O-CG 3.46Å; R72-K74 VanDerWaalsContact C-N 3.34Å; R72-K74 PolarHBondContact O-N 3.47Å; K74-K76 PolarHBondContact O-N 3.16Å
75	N	88	Confident	89.4	Confident	108 Å²	108	77.8 Å²	77.8	58%	0.578	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	96	-170	-64	-21.1	0	0	0	110.4	A133 V134	N75-A133 CarbonylContact O-C 3.57Å; N75-A133 VanDerWaalsContact O-CA 3.3Å; N75-A133 WeakPolarHBondContact O-CA 3.03Å; N75-V134 PolarHBondContact O-N 3.12Å
76	K	90.5	Very high	88.9	Confident	132 Å²	132	78.8 Å²	78.8	57%	0.574	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	133.3	172.8	-67.3	-165.3	175.1	-162.6	0	110.6	K74 F78 D131 T132	K74-K76 PolarHBondContact O-N 3.16Å; K76-F78 HydrophobicContact CB-CE2 4.19Å; K76-F78 HydrophobicContact CB-CZ 4.31Å; K76-D131 IonicContact NZ-OD2 3.58Å; K76-T132 WeakPolarHBondContact CA-O 3.02Å
77	I	85.9	Confident	88.6	Confident	25 Å²	25	76.8 Å²	76.8	13%	0.128	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.8	174.1	59.4	170	0	0	0	110.2	F101 T132 V134	I77-F101 HydrophobicContact CD1-CB 3.93Å; I77-F101 HydrophobicContact CD1-CD1 3.39Å; I77-F101 HydrophobicContact CD1-CD2 4.23Å; I77-F101 HydrophobicContact CD1-CE1 3.89Å; I77-F101 HydrophobicContact CD1-CG 3.57Å; I77-F101 HydrophobicContact CD1-CZ 4.48Å; I77-F101 HydrophobicContact CG1-CD1 4.36Å; I77-T132 HydrophobicContact CD1-CG2 3.62Å; I77-T132 HydrophobicContact CG1-CG2 3.71Å; I77-T132 PolarHBondContact N-O 3.29Å; I77-V134 HydrophobicContact CB-CG2 4.49Å; I77-V134 HydrophobicContact CD1-CG2 3.72Å; I77-V134 HydrophobicContact CG1-CG2 4.1Å; I77-V134 HydrophobicContact CG2-CB 4.41Å; I77-V134 HydrophobicContact CG2-CG2 3.6Å
78	F	79.7	Confident	88.2	Confident	167 Å²	167	78.5 Å²	78.5	73%	0.732	40%	0.404	S	S	*	.			trans	-126.8	127.8	179	-61.5	-81.4	0	0	0	109.5	K76	K76-F78 HydrophobicContact CB-CE2 4.19Å; K76-F78 HydrophobicContact CB-CZ 4.31Å
79	G	79	Confident	87.8	Confident	42 Å²	42	78.9 Å²	78.9	43%	0.433	41%	0.405	S	S	.	.	S	Bend	trans	70	-139.6	179.6	0	0	0	0	0	112.9	F101	G79-F101 WeakPolarHBondContact O-CD1 3.41Å
80	E	84.5	Confident	87.5	Confident	128 Å²	128	77.3 Å²	77.3	60%	0.598	40%	0.395	S	S	*	.			trans	-83.1	133.8	178.1	-58.2	-173.5	158.9	0	0	111	F101 H102	E80-F101 CarbonylContact C-O 3.56Å; E80-F101 VanDerWaalsContact CA-O 3.31Å; E80-F101 WeakPolarHBondContact CA-O 3.5Å; E80-H102 IonicContact OE1-CE1 3.09Å; E80-H102 IonicContact OE1-ND1 2.8Å; E80-H102 PolarHBondContact OE1-ND1 3.07Å; E80-H102 IonicContact OE2-CE1 3.26Å; E80-H102 IonicContact OE2-ND1 3.53Å
81	S	86.8	Confident	87.4	Confident	36 Å²	36	75.4 Å²	75.4	25%	0.252	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	124.2	177.7	-171	0	0	0	0	110.9	F101	S81-F101 PolarHBondContact N-O 3.37Å; S81-F101 PolarHBondContact O-N 2.75Å
82	D	88.2	Confident	87.3	Confident	91 Å²	91	68.7 Å²	68.7	49%	0.487	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133.3	166.9	-85.7	-18.5	0	0	0	109.2	K98 A100	D82-K98 VanDerWaalsContact CG-NZ 3.25Å; D82-K98 IonicContact OD1-NZ 4Å; D82-K98 PolarHBondContact OD1-NZ 3.28Å; D82-K98 IonicContact OD2-NZ 2.74Å; D82-K98 PolarHBondContact OD2-NZ 3.39Å; D82-A100 WeakPolarHBondContact OD1-CB 3.36Å
83	I	87.4	Confident	86.8	Confident	9 Å²	9	66.6 Å²	66.6	5%	0.046	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.4	178.2	-54.1	170.7	0	0	0	107.3	P85 I99 F101 L109 V134 L141 V143	I83-P85 WeakPolarHBondContact O-CD 3.21Å; I83-I99 CarbonylContact C-O 3.52Å; I83-I99 WeakPolarHBondContact CA-O 3.27Å; I83-I99 PolarHBondContact N-O 2.86Å; I83-I99 PolarHBondContact O-N 3.36Å; I83-F101 HydrophobicContact CD1-CB 4.44Å; I83-L109 HydrophobicContact CD1-CD2 4.49Å; I83-V134 HydrophobicContact CD1-CG1 4.25Å; I83-V134 HydrophobicContact CD1-CG2 4.05Å; I83-L141 HydrophobicContact CG2-CD1 3.49Å; I83-L141 VanDerWaalsContact CG2-CD1 3.49Å; I83-L141 HydrophobicContact CG2-CD2 3.76Å; I83-L141 HydrophobicContact CG2-CG 4.3Å; I83-V143 HydrophobicContact CD1-CG2 4.36Å
84	N	85.2	Confident	86.4	Confident	104 Å²	104	69.8 Å²	69.8	56%	0.556	37%	0.374	S	S	*	.			trans	-108.7	100.2	179.8	-65.6	-43.2	0	0	0	108.4	Q86	N84-Q86 PolarHBondContact O-N 3.09Å
85	P	84.6	Confident	86.6	Confident	24 Å²	24	67.2 Å²	67.2	16%	0.156	36%	0.364	C	S	.	.			trans	-55.9	138	178.4	-17.9	27	0	0	0	110.7	I83 F87 F89 I99 L141	I83-P85 WeakPolarHBondContact O-CD 3.21Å; P85-F87 HydrophobicContact CB-CD1 4.3Å; P85-F87 HydrophobicContact CB-CE1 4.08Å; P85-F87 HydrophobicContact CB-CE2 4.41Å; P85-F87 HydrophobicContact CB-CZ 4.14Å; P85-F87 PolarHBondContact O-N 2.74Å; P85-F89 HydrophobicContact CG-CD1 4.36Å; P85-F89 HydrophobicContact CG-CE1 3.86Å; P85-I99 HydrophobicContact CG-CD1 3.95Å; P85-I99 HydrophobicContact CG-CG1 4.13Å; P85-L141 HydrophobicContact CG-CD2 3.99Å
86	Q	85.8	Confident	86.6	Confident	126 Å²	126	62.5 Å²	62.5	59%	0.589	34%	0.34	S	S	*	.	S	Bend	trans	-73.7	-5.1	177.9	-66.7	178	69.8	0	0	113.2	N84 D136	N84-Q86 PolarHBondContact O-N 3.09Å; Q86-D136 PolarHBondContact NE2-O 3.22Å; Q86-D136 PolarHBondContact NE2-OD1 2.9Å
87	F	88.6	Confident	86.4	Confident	23 Å²	23	60.6 Å²	60.6	10%	0.101	33%	0.333	C	S	.	.	S	Bend	trans	-121.6	155.6	178.2	56.5	-88.1	0	0	0	112.1	P85 F89 E138 L141 I164 S166	P85-F87 HydrophobicContact CB-CD1 4.3Å; P85-F87 HydrophobicContact CB-CE1 4.08Å; P85-F87 HydrophobicContact CB-CE2 4.41Å; P85-F87 HydrophobicContact CB-CZ 4.14Å; P85-F87 PolarHBondContact O-N 2.74Å; F87-F89 HydrophobicContact CD2-CB 4.04Å; F87-F89 HydrophobicContact CD2-CD1 4.44Å; F87-F89 HydrophobicContact CE2-CB 3.91Å; F87-F89 HydrophobicContact CE2-CD1 4.03Å; F87-F89 HydrophobicContact CE2-CG 4.13Å; F87-E138 WeakPolarHBondContact CB-O 3.2Å; F87-E138 VanDerWaalsContact CD1-O 3.29Å; F87-E138 WeakPolarHBondContact CD1-O 3.44Å; F87-L141 HydrophobicContact CE1-CB 4.12Å; F87-L141 HydrophobicContact CZ-CB 4.12Å; F87-I164 HydrophobicContact CE2-CG2 4.06Å; F87-I164 HydrophobicContact CZ-CB 4.47Å; F87-I164 HydrophobicContact CZ-CG2 4Å; F87-I164 VanDerWaalsContact CZ-O 3.31Å; F87-I164 WeakPolarHBondContact CZ-O 3.48Å; F87-S166 VanDerWaalsContact CD2-CA 3.48Å
88	S	85.2	Confident	86.6	Confident	95 Å²	95	62.6 Å²	62.6	66%	0.664	34%	0.34	S	S	*	.			trans	-82.7	126.1	171.3	-71.5	0	0	0	0	110.8
89	F	87.3	Confident	87.1	Confident	14 Å²	14	54.7 Å²	54.7	6%	0.061	31%	0.306	C	S	.	.			trans	-133.9	165.6	171.1	81.7	-72.6	0	0	0	111.9	P85 F87 H95 V96 I99 V111 I164	P85-F89 HydrophobicContact CG-CD1 4.36Å; P85-F89 HydrophobicContact CG-CE1 3.86Å; F87-F89 HydrophobicContact CD2-CB 4.04Å; F87-F89 HydrophobicContact CD2-CD1 4.44Å; F87-F89 HydrophobicContact CE2-CB 3.91Å; F87-F89 HydrophobicContact CE2-CD1 4.03Å; F87-F89 HydrophobicContact CE2-CG 4.13Å; F89-H95 PolarHBondContact O-ND1 2.82Å; F89-V96 HydrophobicContact CD1-CB 3.86Å; F89-V96 HydrophobicContact CD1-CG1 4.34Å; F89-V96 HydrophobicContact CD1-CG2 4.14Å; F89-V96 HydrophobicContact CD2-CG2 3.94Å; F89-V96 HydrophobicContact CE1-CB 3.37Å; F89-V96 HydrophobicContact CE1-CG1 3.4Å; F89-V96 HydrophobicContact CE1-CG2 3.68Å; F89-V96 HydrophobicContact CE2-CB 4.18Å; F89-V96 HydrophobicContact CE2-CG1 4.49Å; F89-V96 HydrophobicContact CE2-CG2 3.5Å; F89-V96 VanDerWaalsContact CE2-CG2 3.5Å; F89-V96 HydrophobicContact CG-CB 4.43Å; F89-V96 HydrophobicContact CG-CG2 4.25Å; F89-V96 HydrophobicContact CZ-CB 3.58Å; F89-V96 HydrophobicContact CZ-CG1 3.52Å; F89-V96 HydrophobicContact CZ-CG2 3.37Å; F89-V96 PolarHBondContact O-N 3.15Å; F89-V96 VanDerWaalsContact O-N 3.09Å; F89-I99 HydrophobicContact CE1-CD1 3.8Å; F89-I99 HydrophobicContact CE1-CG1 4.2Å; F89-I99 HydrophobicContact CZ-CD1 3.49Å; F89-I99 VanDerWaalsContact CZ-CD1 3.49Å; F89-I99 HydrophobicContact CZ-CG1 4.03Å; F89-V111 HydrophobicContact CE2-CG1 4.47Å; F89-V111 HydrophobicContact CZ-CG1 4.15Å; F89-I164 HydrophobicContact CD1-CG2 4.48Å; F89-I164 HydrophobicContact CD2-CG2 3.9Å; F89-I164 HydrophobicContact CE1-CG2 4.43Å; F89-I164 HydrophobicContact CE2-CG2 3.81Å; F89-I164 HydrophobicContact CG-CG2 4.22Å; F89-I164 HydrophobicContact CZ-CD1 4.48Å; F89-I164 HydrophobicContact CZ-CG2 4.08Å
90	S	88.3	Confident	87.7	Confident	24 Å²	24	52.7 Å²	52.7	17%	0.168	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.3	178.4	59.1	0	0	0	0	110.8	F94	S90-F94 CarbonylContact C-O 3.49Å; S90-F94 WeakPolarHBondContact CA-O 3.48Å
91	Y	91.8	Very high	87.9	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.2	177	-171.6	-94.3	0	0	0	109	Y56 G93 F94 V96 V111 S119 I120 L170 L191	Y56-Y91 WeakPolarHBondContact OH-CA 3.26Å; Y91-G93 PolarHBondContact O-N 3.01Å; Y91-F94 PolarHBondContact N-O 3.31Å; Y91-F94 PolarHBondContact O-N 2.93Å; Y91-V96 VanDerWaalsContact CB-CG2 3.5Å; Y91-V111 HydrophobicContact CD1-CB 4.11Å; Y91-V111 HydrophobicContact CD1-CG1 3.96Å; Y91-V111 HydrophobicContact CD2-CG1 4.18Å; Y91-V111 HydrophobicContact CD2-CG2 4.26Å; Y91-V111 HydrophobicContact CE1-CB 4.36Å; Y91-V111 HydrophobicContact CE2-CG2 4.21Å; Y91-V111 HydrophobicContact CG-CB 4.22Å; Y91-V111 HydrophobicContact CG-CG1 3.7Å; Y91-V111 HydrophobicContact CG-CG2 4.44Å; Y91-S119 PolarHBondContact OH-O 3.28Å; Y91-I120 HydrophobicContact CE2-CD1 4.02Å; Y91-I120 HydrophobicContact CE2-CG1 3.8Å; Y91-L170 HydrophobicContact CE2-CD2 4.26Å; Y91-L191 WeakPolarHBondContact CE1-O 3.19Å; Y91-L191 PolarHBondContact OH-N 3Å; Y91-L191 VanDerWaalsContact OH-N 3.14Å; Y91-L191 PolarHBondContact OH-O 3.01Å; Y91-L191 VanDerWaalsContact OH-O 3.1Å
92	Y	90.1	Very high	87.9	Confident	6 Å²	6	47 Å²	47	2%	0.024	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	37.9	-173.5	-83.1	-100.6	0	0	0	113.7	Y55 Y56 F94 I190 G192 H203	Y55-Y92 AromaticContact CD2-CD1 3.35Å; Y55-Y92 HydrophobicContact CD2-CD1 3.35Å; Y55-Y92 AromaticContact CD2-CE1 3.66Å; Y55-Y92 HydrophobicContact CD2-CE1 3.66Å; Y55-Y92 HydrophobicContact CD2-CG 4.47Å; Y55-Y92 AromaticContact CE2-CD1 3.98Å; Y55-Y92 HydrophobicContact CE2-CD1 3.98Å; Y55-Y92 AromaticContact CG-CD1 3.78Å; Y55-Y92 HydrophobicContact CG-CD1 3.78Å; Y55-Y92 HydrophobicContact CG-CE1 4.19Å; Y56-Y92 HydrophobicContact CD2-CE2 4.21Å; Y56-Y92 HydrophobicContact CE2-CD1 4.32Å; Y56-Y92 AromaticContact CE2-CD2 3.52Å; Y56-Y92 HydrophobicContact CE2-CD2 3.52Å; Y56-Y92 HydrophobicContact CE2-CE1 4.3Å; Y56-Y92 AromaticContact CE2-CE2 3.54Å; Y56-Y92 HydrophobicContact CE2-CE2 3.54Å; Y56-Y92 AromaticContact CE2-CG 3.95Å; Y56-Y92 HydrophobicContact CE2-CG 3.95Å; Y56-Y92 AromaticContact CE2-CZ 3.94Å; Y56-Y92 PolarHBondContact OH-N 3.33Å; Y92-F94 WeakPolarHBondContact O-CD2 3.42Å; Y92-F94 WeakPolarHBondContact O-CE2 3.48Å; Y92-F94 PolarHBondContact O-N 3.26Å; Y92-I190 HydrophobicContact CE2-CD1 4.27Å; Y92-G192 VanDerWaalsContact CZ-N 3.35Å; Y92-H203 HydrophobicContact CE1-CB 3.92Å; Y92-H203 AromaticContact CE1-CG 3.89Å; Y92-H203 AromaticContact CE1-ND1 3.32Å; Y92-H203 VanDerWaalsContact CE1-ND1 3.32Å; Y92-H203 WeakPolarHBondContact CE1-ND1 3.48Å; Y92-H203 AromaticContact CZ-ND1 3.61Å; Y92-H203 PolarHBondContact OH-ND1 3.17Å; Y92-H203 PolarHBondContact OH-O 3.26Å; Y92-H203 VanDerWaalsContact OH-O 3.06Å
93	G	85.8	Confident	87.4	Confident	59 Å²	59	47.3 Å²	47.3	61%	0.608	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-4.3	-178.5	0	0	0	0	0	115.1	Y91	Y91-G93 PolarHBondContact O-N 3.01Å
94	F	86.8	Confident	86.7	Confident	81 Å²	81	51 Å²	51	36%	0.355	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.9	179	-60.5	-80.6	0	0	0	111.6	S90 Y91 Y92 V96 V113	S90-F94 CarbonylContact C-O 3.49Å; S90-F94 WeakPolarHBondContact CA-O 3.48Å; Y91-F94 PolarHBondContact N-O 3.31Å; Y91-F94 PolarHBondContact O-N 2.93Å; Y92-F94 WeakPolarHBondContact O-CD2 3.42Å; Y92-F94 WeakPolarHBondContact O-CE2 3.48Å; Y92-F94 PolarHBondContact O-N 3.26Å; F94-V96 PolarHBondContact O-N 2.97Å; F94-V113 HydrophobicContact CB-CB 3.74Å; F94-V113 HydrophobicContact CB-CG1 3.87Å; F94-V113 HydrophobicContact CB-CG2 4.46Å
95	H	88.2	Confident	86.4	Confident	114 Å²	114	52.6 Å²	52.6	53%	0.528	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.6	174.8	179.5	58.6	0	0	0	110.5	F89	F89-H95 PolarHBondContact O-ND1 2.82Å
96	V	89.5	Confident	86.5	Confident	9 Å²	9	53.7 Å²	53.7	6%	0.055	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-80.2	135.1	179.6	-177.5	0	0	0	0	110	F89 Y91 F94 K98 I99 V111 V113	F89-V96 HydrophobicContact CD1-CB 3.86Å; F89-V96 HydrophobicContact CD1-CG1 4.34Å; F89-V96 HydrophobicContact CD1-CG2 4.14Å; F89-V96 HydrophobicContact CD2-CG2 3.94Å; F89-V96 HydrophobicContact CE1-CB 3.37Å; F89-V96 HydrophobicContact CE1-CG1 3.4Å; F89-V96 HydrophobicContact CE1-CG2 3.68Å; F89-V96 HydrophobicContact CE2-CB 4.18Å; F89-V96 HydrophobicContact CE2-CG1 4.49Å; F89-V96 HydrophobicContact CE2-CG2 3.5Å; F89-V96 VanDerWaalsContact CE2-CG2 3.5Å; F89-V96 HydrophobicContact CG-CB 4.43Å; F89-V96 HydrophobicContact CG-CG2 4.25Å; F89-V96 HydrophobicContact CZ-CB 3.58Å; F89-V96 HydrophobicContact CZ-CG1 3.52Å; F89-V96 HydrophobicContact CZ-CG2 3.37Å; F89-V96 PolarHBondContact O-N 3.15Å; F89-V96 VanDerWaalsContact O-N 3.09Å; Y91-V96 VanDerWaalsContact CB-CG2 3.5Å; F94-V96 PolarHBondContact O-N 2.97Å; V96-K98 WeakPolarHBondContact CG1-O 3.15Å; V96-I99 HydrophobicContact CG1-CG1 4.17Å; V96-V111 HydrophobicContact CB-CG1 4.22Å; V96-V111 HydrophobicContact CG1-CG1 3.65Å; V96-V111 HydrophobicContact CG2-CG1 3.5Å; V96-V111 VanDerWaalsContact CG2-CG1 3.5Å; V96-V113 HydrophobicContact CB-CG1 4.39Å; V96-V113 HydrophobicContact CG2-CG1 3.74Å
97	Q	85.9	Confident	86.6	Confident	92 Å²	92	48 Å²	48	43%	0.43	26%	0.261	S	S	.	.			trans	-98	-41.2	178.4	-59.4	-164.6	-12.2	0	0	112.4	I112	Q97-I112 PolarHBondContact N-O 3Å
98	K	89.7	Confident	86.8	Confident	67 Å²	67	47.2 Å²	47.2	29%	0.291	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159.4	178.6	67.6	172	-164.9	150.6	0	110.2	D82 V96 I112	D82-K98 VanDerWaalsContact CG-NZ 3.25Å; D82-K98 IonicContact OD1-NZ 4Å; D82-K98 PolarHBondContact OD1-NZ 3.28Å; D82-K98 IonicContact OD2-NZ 2.74Å; D82-K98 PolarHBondContact OD2-NZ 3.39Å; V96-K98 WeakPolarHBondContact CG1-O 3.15Å; K98-I112 HydrophobicContact CD-CG1 4.24Å; K98-I112 HydrophobicContact CG-CB 3.61Å; K98-I112 HydrophobicContact CG-CG1 3.53Å; K98-I112 HydrophobicContact CG-CG2 4.19Å; K98-I112 WeakPolarHBondContact O-CB 3.42Å; K98-I112 PolarHBondContact O-N 3.02Å
99	I	91.2	Very high	87.2	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.5	169	-57.4	-175.6	0	0	0	106.9	I83 P85 F89 V96 L109 Y110 L141 I164	I83-I99 CarbonylContact C-O 3.52Å; I83-I99 WeakPolarHBondContact CA-O 3.27Å; I83-I99 PolarHBondContact N-O 2.86Å; I83-I99 PolarHBondContact O-N 3.36Å; P85-I99 HydrophobicContact CG-CD1 3.95Å; P85-I99 HydrophobicContact CG-CG1 4.13Å; F89-I99 HydrophobicContact CE1-CD1 3.8Å; F89-I99 HydrophobicContact CE1-CG1 4.2Å; F89-I99 HydrophobicContact CZ-CD1 3.49Å; F89-I99 VanDerWaalsContact CZ-CD1 3.49Å; F89-I99 HydrophobicContact CZ-CG1 4.03Å; V96-I99 HydrophobicContact CG1-CG1 4.17Å; I99-L109 HydrophobicContact CG2-CB 4.26Å; I99-L109 HydrophobicContact CG2-CD2 3.97Å; I99-Y110 CarbonylContact C-O 3.5Å; I99-Y110 WeakPolarHBondContact CA-O 3.32Å; I99-L141 HydrophobicContact CD1-CD2 3.6Å; I99-I164 HydrophobicContact CD1-CD1 3.34Å
100	A	90.5	Very high	87.5	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.4	176.9	0	0	0	0	0	108.6	D82 H102 L109 Y110	D82-A100 WeakPolarHBondContact OD1-CB 3.36Å; A100-H102 VanDerWaalsContact CB-CD2 3.47Å; A100-H102 WeakPolarHBondContact CB-CD2 3.35Å; A100-H102 WeakPolarHBondContact CB-NE2 3.21Å; A100-L109 CarbonylContact O-C 3.56Å; A100-Y110 PolarHBondContact N-O 2.03Å; A100-Y110 PolarHBondContact O-N 3.46Å
101	F	89.9	Confident	87.7	Confident	5 Å²	5	44 Å²	44	2%	0.022	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.4	167.9	-178.5	-98.8	0	0	0	108.5	I77 G79 E80 S81 I83 P107 L109 F130 T132	I77-F101 HydrophobicContact CD1-CB 3.93Å; I77-F101 HydrophobicContact CD1-CD1 3.39Å; I77-F101 HydrophobicContact CD1-CD2 4.23Å; I77-F101 HydrophobicContact CD1-CE1 3.89Å; I77-F101 HydrophobicContact CD1-CG 3.57Å; I77-F101 HydrophobicContact CD1-CZ 4.48Å; I77-F101 HydrophobicContact CG1-CD1 4.36Å; G79-F101 WeakPolarHBondContact O-CD1 3.41Å; E80-F101 CarbonylContact C-O 3.56Å; E80-F101 VanDerWaalsContact CA-O 3.31Å; E80-F101 WeakPolarHBondContact CA-O 3.5Å; S81-F101 PolarHBondContact N-O 3.37Å; S81-F101 PolarHBondContact O-N 2.75Å; I83-F101 HydrophobicContact CD1-CB 4.44Å; F101-P107 HydrophobicContact CE2-CB 4.09Å; F101-P107 HydrophobicContact CZ-CB 3.96Å; F101-L109 HydrophobicContact CB-CD2 3.88Å; F101-L109 HydrophobicContact CD2-CD2 3.71Å; F101-L109 HydrophobicContact CD2-CG 4.23Å; F101-L109 HydrophobicContact CG-CD2 4.3Å; F101-F130 HydrophobicContact CE1-CE2 4.18Å; F101-F130 AromaticContact CZ-CE2 3.83Å; F101-F130 HydrophobicContact CZ-CE2 3.83Å; F101-T132 HydrophobicContact CE2-CG2 4.26Å; F101-T132 HydrophobicContact CZ-CG2 4.21Å
102	H	85.8	Confident	87.7	Confident	38 Å²	38	45.6 Å²	45.6	18%	0.176	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.7	176.3	-74.5	-107.1	0	0	0	109.4	E80 A100 T108 Y110	E80-H102 IonicContact OE1-CE1 3.09Å; E80-H102 IonicContact OE1-ND1 2.8Å; E80-H102 PolarHBondContact OE1-ND1 3.07Å; E80-H102 IonicContact OE2-CE1 3.26Å; E80-H102 IonicContact OE2-ND1 3.53Å; A100-H102 VanDerWaalsContact CB-CD2 3.47Å; A100-H102 WeakPolarHBondContact CB-CD2 3.35Å; A100-H102 WeakPolarHBondContact CB-NE2 3.21Å; H102-T108 PolarHBondContact N-O 3.3Å; H102-T108 PolarHBondContact O-N 2.76Å; H102-Y110 HydrophobicContact CB-CD2 3.74Å; H102-Y110 HydrophobicContact CB-CE2 3.54Å; H102-Y110 AromaticContact CD2-CD2 3.5Å; H102-Y110 AromaticContact CG-CD2 3.75Å; H102-Y110 AromaticContact CG-CE2 3.83Å
103	K	78.6	Confident	87.5	Confident	98 Å²	98	45.6 Å²	45.6	43%	0.426	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	74.1	167.3	-169.8	-147.4	-173.8	177.7	0	108	Y127 F130	K103-Y127 WeakPolarHBondContact CE-OH 2.99Å; K103-F130 HydrophobicContact CB-CZ 4.11Å; K103-F130 HydrophobicContact CD-CD1 4.39Å; K103-F130 HydrophobicContact CD-CE1 3.33Å; K103-F130 HydrophobicContact CD-CZ 3.56Å; K103-F130 HydrophobicContact CG-CE1 3.91Å; K103-F130 HydrophobicContact CG-CZ 3.74Å
104	D	72.9	Confident	87.3	Confident	87 Å²	87	49.5 Å²	49.5	47%	0.465	24%	0.238	S	C	.	.	S	Bend	trans	-75.2	-101.3	174.2	-65.2	-36.9	0	0	0	108.7	Y110	D104-Y110 WeakPolarHBondContact OD2-CE2 3.38Å; D104-Y110 PolarHBondContact OD2-OH 3.44Å
105	V	77.6	Confident	86.5	Confident	137 Å²	137	50.1 Å²	50.1	83%	0.83	25%	0.25	S	S	*	.	S	Bend	trans	-82.9	-32.6	172.1	-177.7	0	0	0	0	110.8
106	Q	86.3	Confident	86.2	Confident	47 Å²	47	46.2 Å²	46.2	22%	0.22	23%	0.231	C	C	.	.	S	Bend	trans	-144.9	160.4	-177.7	65.7	-170.6	51.1	0	0	109.2	T108 Y123	Q106-T108 PolarHBondContact O-N 3.46Å; Q106-Y123 HydrophobicContact CB-CD2 4.29Å; Q106-Y123 HydrophobicContact CB-CE2 4.02Å; Q106-Y123 VanDerWaalsContact CD-CZ 3.49Å; Q106-Y123 HydrophobicContact CG-CE1 4.4Å; Q106-Y123 VanDerWaalsContact NE2-CE1 3.26Å; Q106-Y123 PolarHBondContact NE2-OH 3.32Å; Q106-Y123 PolarHBondContact OE1-OH 2.99Å
107	P	89.6	Confident	86.1	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	117.4	175.8	-23.2	41.1	0	0	0	110	F101 Y127 F130 F147	F101-P107 HydrophobicContact CE2-CB 4.09Å; F101-P107 HydrophobicContact CZ-CB 3.96Å; P107-Y127 VanDerWaalsContact CD-OH 3.25Å; P107-Y127 WeakPolarHBondContact CD-OH 3.33Å; P107-Y127 HydrophobicContact CG-CE1 4.28Å; P107-Y127 WeakPolarHBondContact CG-OH 3.27Å; P107-F130 HydrophobicContact CB-CE2 4.44Å; P107-F130 HydrophobicContact CG-CD2 4.09Å; P107-F130 HydrophobicContact CG-CE2 4.18Å; P107-F130 HydrophobicContact CG-CG 4.43Å; P107-F147 HydrophobicContact CG-CE1 4.01Å
108	T	92.1	Very high	86.4	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.1	-175.5	-72.4	0	0	0	0	110.4	H102 Q106 Y110 D121	H102-T108 PolarHBondContact N-O 3.3Å; H102-T108 PolarHBondContact O-N 2.76Å; Q106-T108 PolarHBondContact O-N 3.46Å; T108-Y110 HydrophobicContact CG2-CD1 4.02Å; T108-Y110 HydrophobicContact CG2-CD2 4Å; T108-Y110 HydrophobicContact CG2-CE1 3.93Å; T108-Y110 HydrophobicContact CG2-CE2 3.96Å; T108-Y110 HydrophobicContact CG2-CG 4.08Å; T108-D121 WeakPolarHBondContact CB-OD1 3.48Å; T108-D121 VanDerWaalsContact CG2-OD1 3.23Å; T108-D121 WeakPolarHBondContact CG2-OD1 3.34Å; T108-D121 PolarHBondContact OG1-OD1 3.33Å
109	L	93.9	Very high	86.7	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	104.3	165.4	-70.3	169.9	0	0	0	109	I83 I99 A100 F101 S119 I120 V143 T162	I83-L109 HydrophobicContact CD1-CD2 4.49Å; I99-L109 HydrophobicContact CG2-CB 4.26Å; I99-L109 HydrophobicContact CG2-CD2 3.97Å; A100-L109 CarbonylContact O-C 3.56Å; F101-L109 HydrophobicContact CB-CD2 3.88Å; F101-L109 HydrophobicContact CD2-CD2 3.71Å; F101-L109 HydrophobicContact CD2-CG 4.23Å; F101-L109 HydrophobicContact CG-CD2 4.3Å; L109-S119 CarbonylContact O-C 3.18Å; L109-S119 WeakPolarHBondContact O-CA 3.26Å; L109-I120 HydrophobicContact CB-CB 4.09Å; L109-I120 PolarHBondContact N-O 3.42Å; L109-I120 PolarHBondContact O-N 3.17Å; L109-V143 HydrophobicContact CD1-CB 4.15Å; L109-V143 HydrophobicContact CD1-CG2 3.93Å; L109-V143 HydrophobicContact CD2-CG2 4.02Å; L109-T162 HydrophobicContact CD1-CG2 4.01Å
110	Y	93.2	Very high	86.9	Confident	57 Å²	57	41.8 Å²	41.8	22%	0.224	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.5	173.3	-69.8	-75.7	0	0	0	110.3	I99 A100 H102 D104 T108 H117	I99-Y110 CarbonylContact C-O 3.5Å; I99-Y110 WeakPolarHBondContact CA-O 3.32Å; A100-Y110 PolarHBondContact N-O 2.03Å; A100-Y110 PolarHBondContact O-N 3.46Å; H102-Y110 HydrophobicContact CB-CD2 3.74Å; H102-Y110 HydrophobicContact CB-CE2 3.54Å; H102-Y110 AromaticContact CD2-CD2 3.5Å; H102-Y110 AromaticContact CG-CD2 3.75Å; H102-Y110 AromaticContact CG-CE2 3.83Å; D104-Y110 WeakPolarHBondContact OD2-CE2 3.38Å; D104-Y110 PolarHBondContact OD2-OH 3.44Å; T108-Y110 HydrophobicContact CG2-CD1 4.02Å; T108-Y110 HydrophobicContact CG2-CD2 4Å; T108-Y110 HydrophobicContact CG2-CE1 3.93Å; T108-Y110 HydrophobicContact CG2-CE2 3.96Å; T108-Y110 HydrophobicContact CG2-CG 4.08Å; Y110-H117 AromaticContact CD1-CD2 3.85Å
111	V	93.2	Very high	87.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.1	178.8	-173.4	0	0	0	0	108.5	F89 Y91 V96 V113 H117 G118 I120	F89-V111 HydrophobicContact CE2-CG1 4.47Å; F89-V111 HydrophobicContact CZ-CG1 4.15Å; Y91-V111 HydrophobicContact CD1-CB 4.11Å; Y91-V111 HydrophobicContact CD1-CG1 3.96Å; Y91-V111 HydrophobicContact CD2-CG1 4.18Å; Y91-V111 HydrophobicContact CD2-CG2 4.26Å; Y91-V111 HydrophobicContact CE1-CB 4.36Å; Y91-V111 HydrophobicContact CE2-CG2 4.21Å; Y91-V111 HydrophobicContact CG-CB 4.22Å; Y91-V111 HydrophobicContact CG-CG1 3.7Å; Y91-V111 HydrophobicContact CG-CG2 4.44Å; V96-V111 HydrophobicContact CB-CG1 4.22Å; V96-V111 HydrophobicContact CG1-CG1 3.65Å; V96-V111 HydrophobicContact CG2-CG1 3.5Å; V96-V111 VanDerWaalsContact CG2-CG1 3.5Å; V111-V113 HydrophobicContact CG1-CG1 4.3Å; V111-V113 PolarHBondContact O-N 3.18Å; V111-H117 CarbonylContact O-C 3.5Å; V111-H117 WeakPolarHBondContact O-CA 3.22Å; V111-H117 WeakPolarHBondContact O-CB 3.43Å; V111-G118 PolarHBondContact N-O 3.35Å; V111-G118 PolarHBondContact O-N 3.47Å; V111-I120 HydrophobicContact CG2-CD1 3.49Å; V111-I120 VanDerWaalsContact CG2-CD1 3.49Å; V111-I120 HydrophobicContact CG2-CG1 3.79Å
112	I	91.4	Very high	87.5	Confident	38 Å²	38	42.2 Å²	42.2	20%	0.195	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.7	-174.2	-52.6	-53.4	0	0	0	110.2	Q97 K98 H117	Q97-I112 PolarHBondContact N-O 3Å; K98-I112 HydrophobicContact CD-CG1 4.24Å; K98-I112 HydrophobicContact CG-CB 3.61Å; K98-I112 HydrophobicContact CG-CG1 3.53Å; K98-I112 HydrophobicContact CG-CG2 4.19Å; K98-I112 WeakPolarHBondContact O-CB 3.42Å; K98-I112 PolarHBondContact O-N 3.02Å; I112-H117 HydrophobicContact CD1-CB 3.68Å
113	V	86.1	Confident	88	Confident	6 Å²	6	41 Å²	41	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	94.6	-178	-77	0	0	0	0	109.3	F94 V96 V111 Y116	F94-V113 HydrophobicContact CB-CB 3.74Å; F94-V113 HydrophobicContact CB-CG1 3.87Å; F94-V113 HydrophobicContact CB-CG2 4.46Å; V96-V113 HydrophobicContact CB-CG1 4.39Å; V96-V113 HydrophobicContact CG2-CG1 3.74Å; V111-V113 HydrophobicContact CG1-CG1 4.3Å; V111-V113 PolarHBondContact O-N 3.18Å; V113-Y116 CarbonylContact C-O 3.45Å; V113-Y116 PolarHBondContact N-O 3.27Å; V113-Y116 CarbonylContact O-C 3.44Å; V113-Y116 VanDerWaalsContact O-C 3.23Å; V113-Y116 WeakPolarHBondContact O-CA 3.43Å; V113-Y116 PolarHBondContact O-N 3.36Å
114	K	80.1	Confident	88.8	Confident	142 Å²	142	36.3 Å²	36.3	62%	0.617	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132.7	-173.5	-78.3	-171.6	-177	139.1	0	112.2
115	P	71.7	Confident	89.7	Confident	93 Å²	93	35 Å²	35	60%	0.604	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.2	7.9	9.5	6.2	12	0	0	0	115.9
116	Y	80.6	Confident	90.3	Very high	32 Å²	32	34 Å²	34	13%	0.125	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-167.9	-169.7	-43	-49.5	0	0	0	111.9	V113 R195 F200	V113-Y116 CarbonylContact C-O 3.45Å; V113-Y116 PolarHBondContact N-O 3.27Å; V113-Y116 CarbonylContact O-C 3.44Å; V113-Y116 VanDerWaalsContact O-C 3.23Å; V113-Y116 WeakPolarHBondContact O-CA 3.43Å; V113-Y116 PolarHBondContact O-N 3.36Å; Y116-R195 HydrophobicContact CE2-CB 3.8Å; Y116-R195 VanDerWaalsContact OH-CB 3.31Å; Y116-R195 WeakPolarHBondContact OH-CB 2.96Å; Y116-R195 WeakPolarHBondContact OH-CD 3.15Å; Y116-R195 VanDerWaalsContact OH-CG 3.26Å; Y116-R195 WeakPolarHBondContact OH-CG 3.48Å; Y116-R195 PolarHBondContact OH-NH1 2.64Å; Y116-F200 HydrophobicContact CD1-CD1 4.29Å; Y116-F200 AromaticContact CD1-CE1 3.28Å; Y116-F200 HydrophobicContact CD1-CE1 3.28Å; Y116-F200 AromaticContact CD1-CZ 3.49Å; Y116-F200 HydrophobicContact CD1-CZ 3.49Å; Y116-F200 VanDerWaalsContact CD1-CZ 3.49Å; Y116-F200 HydrophobicContact CD2-CE1 4.16Å; Y116-F200 HydrophobicContact CE1-CD1 4.36Å; Y116-F200 AromaticContact CE1-CE1 3.09Å; Y116-F200 HydrophobicContact CE1-CE1 3.09Å; Y116-F200 AromaticContact CE1-CZ 3.18Å; Y116-F200 HydrophobicContact CE1-CZ 3.18Å; Y116-F200 AromaticContact CE2-CE1 3.95Å; Y116-F200 HydrophobicContact CE2-CE1 3.95Å; Y116-F200 AromaticContact CG-CE1 3.86Å; Y116-F200 HydrophobicContact CG-CE1 3.86Å; Y116-F200 HydrophobicContact CG-CZ 4.48Å; Y116-F200 AromaticContact CZ-CE1 3.44Å; Y116-F200 VanDerWaalsContact CZ-CE1 3.44Å; Y116-F200 AromaticContact CZ-CZ 3.91Å
117	H	86.9	Confident	90.6	Very high	61 Å²	61	33.7 Å²	33.7	28%	0.282	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.9	167.6	55.1	-93	0	0	0	109.1	Y110 V111 I112 R193	Y110-H117 AromaticContact CD1-CD2 3.85Å; V111-H117 CarbonylContact O-C 3.5Å; V111-H117 WeakPolarHBondContact O-CA 3.22Å; V111-H117 WeakPolarHBondContact O-CB 3.43Å; I112-H117 HydrophobicContact CD1-CB 3.68Å; H117-R193 PolarHBondContact CE1-NH1 2.85Å; H117-R193 PolarHBondContact NE2-NH1 3.39Å; H117-R193 WeakPolarHBondContact O-CG 3.47Å
118	G	93.7	Very high	90.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-179.2	161.8	0	0	0	0	0	110.9	V111 L191	V111-G118 PolarHBondContact N-O 3.35Å; V111-G118 PolarHBondContact O-N 3.47Å; G118-L191 CarbonylContact C-O 3.53Å; G118-L191 WeakPolarHBondContact CA-O 3.33Å
119	S	95	Very high	90.8	Very high	11 Å²	11	44.1 Å²	44.1	8%	0.077	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.2	171	67.2	0	0	0	0	111.7	Y91 L109 D121 L191	Y91-S119 PolarHBondContact OH-O 3.28Å; L109-S119 CarbonylContact O-C 3.18Å; L109-S119 WeakPolarHBondContact O-CA 3.26Å; S119-D121 PolarHBondContact OG-OD2 3.22Å; S119-L191 PolarHBondContact N-O 3.15Å; S119-L191 PolarHBondContact O-N 2.83Å; S119-L191 WeakPolarHBondContact OG-CB 3.41Å
120	I	96.4	Very high	90.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.6	167.3	-60.5	164.1	0	0	0	105.4	Y91 L109 V111 T162 I164 L170 F172	Y91-I120 HydrophobicContact CE2-CD1 4.02Å; Y91-I120 HydrophobicContact CE2-CG1 3.8Å; L109-I120 HydrophobicContact CB-CB 4.09Å; L109-I120 PolarHBondContact N-O 3.42Å; L109-I120 PolarHBondContact O-N 3.17Å; V111-I120 HydrophobicContact CG2-CD1 3.49Å; V111-I120 VanDerWaalsContact CG2-CD1 3.49Å; V111-I120 HydrophobicContact CG2-CG1 3.79Å; I120-T162 HydrophobicContact CG2-CG2 3.8Å; I120-I164 HydrophobicContact CD1-CD1 3.88Å; I120-L170 HydrophobicContact CD1-CD1 3.84Å; I120-L170 HydrophobicContact CD1-CD2 3.83Å; I120-L170 HydrophobicContact CG1-CD1 4.48Å; I120-L170 HydrophobicContact CG1-CD2 3.88Å; I120-L170 HydrophobicContact CG2-CD1 4.11Å; I120-L170 HydrophobicContact CG2-CD2 4.31Å; I120-F172 HydrophobicContact CG2-CE1 3.44Å; I120-F172 VanDerWaalsContact CG2-CE1 3.44Å; I120-F172 HydrophobicContact CG2-CZ 3.67Å
121	D	96	Very high	90.6	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.9	-176.2	-59.9	-49.4	0	0	0	108.3	T108 S119 Y123 S188 K189	T108-D121 WeakPolarHBondContact CB-OD1 3.48Å; T108-D121 VanDerWaalsContact CG2-OD1 3.23Å; T108-D121 WeakPolarHBondContact CG2-OD1 3.34Å; T108-D121 PolarHBondContact OG1-OD1 3.33Å; S119-D121 PolarHBondContact OG-OD2 3.22Å; D121-Y123 HydrophobicContact CB-CD1 4.16Å; D121-Y123 HydrophobicContact CB-CE1 4.05Å; D121-S188 CarbonylContact O-C 3.23Å; D121-S188 VanDerWaalsContact O-CA 3.24Å; D121-S188 WeakPolarHBondContact O-CA 3.44Å; D121-K189 HydrophobicContact CB-CG 3.85Å; D121-K189 PolarHBondContact N-O 2.9Å; D121-K189 PolarHBondContact O-N 3.46Å; D121-K189 WeakPolarHBondContact OD2-CE 3.04Å; D121-K189 IonicContact OD2-NZ 2.68Å
122	N	97	Very high	90.6	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.064	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	88.1	178	-168.8	19	0	0	0	108.9	M160 T161 T162 F172 Y174 R187 S188	N122-M160 WeakPolarHBondContact OD1-CE 3.26Å; N122-T161 PolarHBondContact ND2-O 2.82Å; N122-T162 WeakPolarHBondContact CB-OG1 3.33Å; N122-T162 PolarHBondContact ND2-OG1 3.1Å; N122-F172 HydrophobicContact CB-CD1 4.07Å; N122-F172 HydrophobicContact CB-CE1 3.92Å; N122-F172 HydrophobicContact CB-CZ 4.31Å; N122-Y174 WeakPolarHBondContact OD1-CE1 3.42Å; N122-R187 WeakPolarHBondContact CA-O 3.15Å; N122-S188 PolarHBondContact OD1-OG 2.98Å
123	Y	95.5	Very high	90.8	Very high	12 Å²	12	45.3 Å²	45.3	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	170.8	-170.8	71.9	-77.7	0	0	0	111.8	Q106 D121 E125 R187	Q106-Y123 HydrophobicContact CB-CD2 4.29Å; Q106-Y123 HydrophobicContact CB-CE2 4.02Å; Q106-Y123 VanDerWaalsContact CD-CZ 3.49Å; Q106-Y123 HydrophobicContact CG-CE1 4.4Å; Q106-Y123 VanDerWaalsContact NE2-CE1 3.26Å; Q106-Y123 PolarHBondContact NE2-OH 3.32Å; Q106-Y123 PolarHBondContact OE1-OH 2.99Å; D121-Y123 HydrophobicContact CB-CD1 4.16Å; D121-Y123 HydrophobicContact CB-CE1 4.05Å; Y123-E125 HydrophobicContact CE2-CG 3.76Å; Y123-R187 HydrophobicContact CD1-CB 3.97Å; Y123-R187 HydrophobicContact CD2-CB 4.48Å; Y123-R187 HydrophobicContact CE1-CB 3.5Å; Y123-R187 VanDerWaalsContact CE1-CB 3.5Å; Y123-R187 HydrophobicContact CE1-CG 4.24Å; Y123-R187 HydrophobicContact CE2-CB 4.08Å; Y123-R187 HydrophobicContact CE2-CG 4.13Å; Y123-R187 HydrophobicContact CG-CB 4.41Å; Y123-R187 PolarHBondContact N-O 3.43Å; Y123-R187 CarbonylContact O-C 3.6Å; Y123-R187 PolarHBondContact O-N 3.1Å
124	I	94.9	Very high	91.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.5	170.5	-50.8	-168.3	0	0	0	107.7	Y127 F147 A158 M160 I181 E185 L186	I124-Y127 WeakPolarHBondContact O-CD1 3.49Å; I124-F147 HydrophobicContact CG1-CB 4.46Å; I124-F147 HydrophobicContact CG1-CD2 4.38Å; I124-F147 HydrophobicContact CG1-CG 4.45Å; I124-A158 HydrophobicContact CD1-CB 3.16Å; I124-A158 HydrophobicContact CG1-CB 4.4Å; I124-M160 HydrophobicContact CD1-SD 4.29Å; I124-M160 HydrophobicContact CG1-SD 3.71Å; I124-I181 HydrophobicContact CD1-CD1 3.59Å; I124-I181 HydrophobicContact CD1-CG2 4.43Å; I124-I181 HydrophobicContact CG2-CD1 4.5Å; I124-I181 HydrophobicContact CG2-CG2 3.84Å; I124-E185 CarbonylContact C-O 3.56Å; I124-E185 WeakPolarHBondContact CA-O 3.28Å; I124-E185 HydrophobicContact CG2-CB 3.98Å; I124-L186 HydrophobicContact CD1-CD2 3.77Å; I124-L186 HydrophobicContact CG1-CD2 3.91Å; I124-L186 HydrophobicContact CG2-CD2 4.32Å
125	E	93.5	Very high	91.7	Very high	59 Å²	59	39.3 Å²	39.3	28%	0.276	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	162.7	170.7	-70.5	179.2	178.4	0	0	111	Y123 Y127 E185 R187	Y123-E125 HydrophobicContact CE2-CG 3.76Å; E125-Y127 PolarHBondContact O-N 2.97Å; E125-E185 HydrophobicContact CB-CB 4.38Å; E125-E185 PolarHBondContact N-O 2.91Å; E125-R187 HydrophobicContact CG-CG 3.85Å; E125-R187 WeakPolarHBondContact OE1-CG 3.42Å; E125-R187 IonicContact OE1-CZ 3.66Å; E125-R187 VanDerWaalsContact OE1-CZ 3.26Å; E125-R187 IonicContact OE1-NE 2.9Å; E125-R187 PolarHBondContact OE1-NE 3.31Å; E125-R187 IonicContact OE1-NH2 3.54Å; E125-R187 PolarHBondContact OE1-NH2 3.03Å; E125-R187 VanDerWaalsContact OE1-NH2 3.09Å; E125-R187 IonicContact OE2-CZ 3.48Å; E125-R187 IonicContact OE2-NE 2.86Å; E125-R187 IonicContact OE2-NH2 3.38Å; E125-R187 PolarHBondContact OE2-NH2 3.47Å
126	N	89.9	Confident	92.6	Very high	115 Å²	115	37.7 Å²	37.7	62%	0.615	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	16.8	175.4	-52.4	-34.5	0	0	0	116.7	T149 E185	N126-T149 PolarHBondContact O-OG1 2.73Å; N126-E185 PolarHBondContact ND2-OE1 3.4Å
127	Y	92.5	Very high	93.2	Very high	42 Å²	42	39.1 Å²	39.1	17%	0.165	19%	0.192	C	C	.	.			trans	-65.1	142.8	174.1	71	-81.6	0	0	0	112	K103 P107 I124 E125 F130 F147	K103-Y127 WeakPolarHBondContact CE-OH 2.99Å; P107-Y127 VanDerWaalsContact CD-OH 3.25Å; P107-Y127 WeakPolarHBondContact CD-OH 3.33Å; P107-Y127 HydrophobicContact CG-CE1 4.28Å; P107-Y127 WeakPolarHBondContact CG-OH 3.27Å; I124-Y127 WeakPolarHBondContact O-CD1 3.49Å; E125-Y127 PolarHBondContact O-N 2.97Å; Y127-F130 HydrophobicContact CD2-CB 3.83Å; Y127-F130 HydrophobicContact CD2-CD1 4.26Å; Y127-F130 HydrophobicContact CD2-CG 4.32Å; Y127-F130 HydrophobicContact CE2-CB 3.86Å; Y127-F130 AromaticContact CE2-CD1 3.51Å; Y127-F130 HydrophobicContact CE2-CD1 3.51Å; Y127-F130 HydrophobicContact CE2-CE1 4.43Å; Y127-F130 AromaticContact CE2-CG 3.82Å; Y127-F130 HydrophobicContact CE2-CG 3.82Å; Y127-F147 HydrophobicContact CD1-CD1 4.28Å; Y127-F147 HydrophobicContact CD2-CD1 4.28Å; Y127-F147 AromaticContact CG-CD1 3.99Å; Y127-F147 HydrophobicContact CG-CD1 3.99Å
128	E	92.6	Very high	93.3	Very high	115 Å²	115	43.3 Å²	43.3	54%	0.537	21%	0.212	S	C	.	.	S	Bend	trans	-89.9	-43.3	176.9	-63.2	-172.5	169.6	0	0	111.5	S148 N150	E128-S148 PolarHBondContact N-O 2.8Å; E128-N150 VanDerWaalsContact OE1-CB 3.3Å; E128-N150 WeakPolarHBondContact OE1-CB 3.19Å
129	K	91.8	Very high	93.2	Very high	116 Å²	116	49.5 Å²	49.5	50%	0.504	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150	-179.5	-56	170.8	-164.5	142.9	0	109	S148 E155	K129-S148 PolarHBondContact N-O 3.41Å; K129-S148 PolarHBondContact O-N 2.84Å; K129-E155 IonicContact NZ-OE1 2.66Å; K129-E155 PolarHBondContact NZ-OE1 3.49Å
130	F	91.7	Very high	93.2	Very high	33 Å²	33	49.8 Å²	49.8	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.8	170	83.5	-63.1	0	0	0	110.1	F101 K103 P107 Y127 T132 N146 F147	F101-F130 HydrophobicContact CE1-CE2 4.18Å; F101-F130 AromaticContact CZ-CE2 3.83Å; F101-F130 HydrophobicContact CZ-CE2 3.83Å; K103-F130 HydrophobicContact CB-CZ 4.11Å; K103-F130 HydrophobicContact CD-CD1 4.39Å; K103-F130 HydrophobicContact CD-CE1 3.33Å; K103-F130 HydrophobicContact CD-CZ 3.56Å; K103-F130 HydrophobicContact CG-CE1 3.91Å; K103-F130 HydrophobicContact CG-CZ 3.74Å; P107-F130 HydrophobicContact CB-CE2 4.44Å; P107-F130 HydrophobicContact CG-CD2 4.09Å; P107-F130 HydrophobicContact CG-CE2 4.18Å; P107-F130 HydrophobicContact CG-CG 4.43Å; Y127-F130 HydrophobicContact CD2-CB 3.83Å; Y127-F130 HydrophobicContact CD2-CD1 4.26Å; Y127-F130 HydrophobicContact CD2-CG 4.32Å; Y127-F130 HydrophobicContact CE2-CB 3.86Å; Y127-F130 AromaticContact CE2-CD1 3.51Å; Y127-F130 HydrophobicContact CE2-CD1 3.51Å; Y127-F130 HydrophobicContact CE2-CE1 4.43Å; Y127-F130 AromaticContact CE2-CG 3.82Å; Y127-F130 HydrophobicContact CE2-CG 3.82Å; F130-T132 WeakPolarHBondContact CE2-OG1 3.5Å; F130-N146 CarbonylContact C-O 3.6Å; F130-N146 WeakPolarHBondContact CA-O 3.46Å; F130-N146 WeakPolarHBondContact CB-O 3.38Å; F130-F147 HydrophobicContact CB-CD1 3.85Å; F130-F147 HydrophobicContact CB-CE1 4.21Å
131	D	92.2	Very high	93	Very high	80 Å²	80	49.8 Å²	49.8	43%	0.428	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.4	174	-70.8	-18.7	0	0	0	108.5	K76 S145 N146	K76-D131 IonicContact NZ-OD2 3.58Å; D131-S145 CarbonylContact O-C 3.52Å; D131-S145 WeakPolarHBondContact O-CA 3.38Å; D131-N146 PolarHBondContact N-O 3.37Å; D131-N146 PolarHBondContact O-N 3.12Å
132	T	93.8	Very high	93	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.8	179.3	-57.9	0	0	0	0	110.9	K76 I77 F101 F130 V143 Q144 S145	K76-T132 WeakPolarHBondContact CA-O 3.02Å; I77-T132 HydrophobicContact CD1-CG2 3.62Å; I77-T132 HydrophobicContact CG1-CG2 3.71Å; I77-T132 PolarHBondContact N-O 3.29Å; F101-T132 HydrophobicContact CE2-CG2 4.26Å; F101-T132 HydrophobicContact CZ-CG2 4.21Å; F130-T132 WeakPolarHBondContact CE2-OG1 3.5Å; T132-V143 HydrophobicContact CG2-CG1 3.32Å; T132-Q144 CarbonylContact C-O 3.56Å; T132-Q144 WeakPolarHBondContact CA-O 3.39Å; T132-S145 WeakPolarHBondContact CG2-OG 3.21Å; T132-S145 PolarHBondContact OG1-OG 3.33Å; T132-S145 VanDerWaalsContact OG1-OG 3.07Å
133	A	94.1	Very high	92.9	Very high	12 Å²	12	49.4 Å²	49.4	10%	0.099	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.6	174.3	0	0	0	0	0	111.1	F73 N75 V143 Q144	F73-A133 HydrophobicContact CB-CB 3.82Å; F73-A133 WeakPolarHBondContact O-CB 3.49Å; N75-A133 CarbonylContact O-C 3.57Å; N75-A133 VanDerWaalsContact O-CA 3.3Å; N75-A133 WeakPolarHBondContact O-CA 3.03Å; A133-V143 WeakPolarHBondContact O-CA 3.07Å; A133-Q144 PolarHBondContact N-O 3.23Å; A133-Q144 PolarHBondContact O-N 2.89Å
134	V	93.4	Very high	92.9	Very high	10 Å²	10	49.5 Å²	49.5	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143	-175.3	179.9	0	0	0	0	110.6	N75 I77 I83 D136 L141 G142 V143	N75-V134 PolarHBondContact O-N 3.12Å; I77-V134 HydrophobicContact CB-CG2 4.49Å; I77-V134 HydrophobicContact CD1-CG2 3.72Å; I77-V134 HydrophobicContact CG1-CG2 4.1Å; I77-V134 HydrophobicContact CG2-CB 4.41Å; I77-V134 HydrophobicContact CG2-CG2 3.6Å; I83-V134 HydrophobicContact CD1-CG1 4.25Å; I83-V134 HydrophobicContact CD1-CG2 4.05Å; V134-D136 HydrophobicContact CG1-CB 4.49Å; V134-L141 HydrophobicContact CG1-CD1 3.94Å; V134-G142 CarbonylContact C-O 3.5Å; V134-G142 WeakPolarHBondContact CA-O 3.12Å; V134-V143 HydrophobicContact CG2-CG2 4.38Å
135	L	93.6	Very high	92.9	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.058	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.4	167.7	175.3	66.2	0	0	0	107.9	V68 R72 F73 E137 L140 L141 G142	V68-L135 HydrophobicContact CG1-CD2 3.59Å; R72-L135 HydrophobicContact CB-CD1 4.14Å; R72-L135 HydrophobicContact CB-CD2 4.32Å; F73-L135 HydrophobicContact CD1-CB 3.78Å; F73-L135 HydrophobicContact CE1-CB 3.78Å; F73-L135 HydrophobicContact CG-CB 4.4Å; F73-L135 HydrophobicContact CZ-CB 4.38Å; F73-L135 HydrophobicContact CZ-CD2 4.45Å; L135-E137 HydrophobicContact CD1-CG 3.77Å; L135-E137 WeakPolarHBondContact CD1-OE1 3.47Å; L135-E137 HydrophobicContact CG-CG 4.08Å; L135-L140 HydrophobicContact CD2-CD2 3.85Å; L135-L140 HydrophobicContact CD2-CG 4.48Å; L135-L141 CarbonylContact O-C 3.57Å; L135-L141 WeakPolarHBondContact O-CA 3.32Å; L135-L141 WeakPolarHBondContact O-CD1 3.49Å; L135-G142 PolarHBondContact N-O 3.25Å; L135-G142 PolarHBondContact O-N 3.41Å
136	D	90.7	Very high	93.1	Very high	60 Å²	60	49.5 Å²	49.5	32%	0.321	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	103.5	179.4	-178.5	1.8	0	0	0	109.5	Q86 V134 L141	Q86-D136 PolarHBondContact NE2-O 3.22Å; Q86-D136 PolarHBondContact NE2-OD1 2.9Å; V134-D136 HydrophobicContact CG1-CB 4.49Å; D136-L141 HydrophobicContact CB-CD1 4.2Å
137	E	91.3	Very high	93.3	Very high	61 Å²	61	44 Å²	44	29%	0.285	21%	0.213	S	C	.	.			trans	-124.5	169.4	-177.9	-59.8	-175	156.8	0	0	110.7	R72 L135 E139 L140	R72-E137 IonicContact CZ-OE1 2.6Å; R72-E137 IonicContact CZ-OE2 2.66Å; R72-E137 IonicContact NE-OE1 3.97Å; R72-E137 IonicContact NH2-OE1 3.65Å; R72-E137 PolarHBondContact NH2-OE1 3.33Å; R72-E137 IonicContact NH2-OE2 3.43Å; R72-E137 PolarHBondContact NH2-OE2 2.98Å; L135-E137 HydrophobicContact CD1-CG 3.77Å; L135-E137 WeakPolarHBondContact CD1-OE1 3.47Å; L135-E137 HydrophobicContact CG-CG 4.08Å; E137-E139 VanDerWaalsContact C-N 3.26Å; E137-E139 PolarHBondContact O-N 3.06Å; E137-E139 VanDerWaalsContact O-N 3.17Å; E137-L140 PolarHBondContact N-O 3.32Å; E137-L140 PolarHBondContact O-N 3.22Å
138	E	90.9	Very high	93.5	Very high	149 Å²	149	43 Å²	43	70%	0.696	21%	0.212	S	C	*	.	S	Bend	trans	-56.1	-36.9	-173.5	-173.8	174.6	-173.8	0	0	113.6	F87	F87-E138 WeakPolarHBondContact CB-O 3.2Å; F87-E138 VanDerWaalsContact CD1-O 3.29Å; F87-E138 WeakPolarHBondContact CD1-O 3.44Å
139	E	91.4	Very high	93.6	Very high	131 Å²	131	37.9 Å²	37.9	61%	0.612	19%	0.189	S	C	*	.	S	Bend	trans	-118.2	1.1	-176.6	-62.8	-167.6	151.1	0	0	114.1	E137 S166	E137-E139 VanDerWaalsContact C-N 3.26Å; E137-E139 PolarHBondContact O-N 3.06Å; E137-E139 VanDerWaalsContact O-N 3.17Å; E139-S166 PolarHBondContact O-N 3.3Å
140	L	93.6	Very high	93.7	Very high	18 Å²	18	35.8 Å²	35.8	9%	0.094	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	124.7	-169.9	-178.6	67.1	0	0	0	110.9	V68 L135 E137 L163	V68-L140 HydrophobicContact CG2-CD2 3.78Å; L135-L140 HydrophobicContact CD2-CD2 3.85Å; L135-L140 HydrophobicContact CD2-CG 4.48Å; E137-L140 PolarHBondContact N-O 3.32Å; E137-L140 PolarHBondContact O-N 3.22Å; L140-L163 HydrophobicContact CD1-CB 4.1Å; L140-L163 HydrophobicContact CD1-CD2 4.32Å
141	L	93.7	Very high	93.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128	165.6	171.4	64.9	0	0	0	108.6	I83 P85 F87 I99 V134 L135 D136 L163 I164	I83-L141 HydrophobicContact CG2-CD1 3.49Å; I83-L141 VanDerWaalsContact CG2-CD1 3.49Å; I83-L141 HydrophobicContact CG2-CD2 3.76Å; I83-L141 HydrophobicContact CG2-CG 4.3Å; P85-L141 HydrophobicContact CG-CD2 3.99Å; F87-L141 HydrophobicContact CE1-CB 4.12Å; F87-L141 HydrophobicContact CZ-CB 4.12Å; I99-L141 HydrophobicContact CD1-CD2 3.6Å; V134-L141 HydrophobicContact CG1-CD1 3.94Å; L135-L141 CarbonylContact O-C 3.57Å; L135-L141 WeakPolarHBondContact O-CA 3.32Å; L135-L141 WeakPolarHBondContact O-CD1 3.49Å; D136-L141 HydrophobicContact CB-CD1 4.2Å; L141-L163 CarbonylContact O-C 3.59Å; L141-L163 WeakPolarHBondContact O-CA 2.97Å; L141-I164 HydrophobicContact CB-CB 4.33Å; L141-I164 HydrophobicContact CD2-CD1 4.32Å; L141-I164 PolarHBondContact N-O 2.82Å; L141-I164 PolarHBondContact O-N 2.97Å
142	G	94.8	Very high	93.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.1	178.9	0	0	0	0	0	112.2	V134 L135 T162	V134-G142 CarbonylContact C-O 3.5Å; V134-G142 WeakPolarHBondContact CA-O 3.12Å; L135-G142 PolarHBondContact N-O 3.25Å; L135-G142 PolarHBondContact O-N 3.41Å; G142-T162 CarbonylContact C-O 3.48Å; G142-T162 VanDerWaalsContact CA-O 3.28Å; G142-T162 WeakPolarHBondContact CA-O 3.44Å
143	V	94.7	Very high	93.5	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	113.6	172	-177.7	0	0	0	0	108.4	I83 L109 T132 A133 V134 T161 T162	I83-V143 HydrophobicContact CD1-CG2 4.36Å; L109-V143 HydrophobicContact CD1-CB 4.15Å; L109-V143 HydrophobicContact CD1-CG2 3.93Å; L109-V143 HydrophobicContact CD2-CG2 4.02Å; T132-V143 HydrophobicContact CG2-CG1 3.32Å; A133-V143 WeakPolarHBondContact O-CA 3.07Å; V134-V143 HydrophobicContact CG2-CG2 4.38Å; V143-T161 WeakPolarHBondContact O-CA 3.18Å; V143-T162 PolarHBondContact N-O 3.08Å; V143-T162 PolarHBondContact O-N 2.98Å
144	Q	96.3	Very high	93.4	Very high	15 Å²	15	45.8 Å²	45.8	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.7	174.6	-179.6	174.3	89.2	0	0	109	S70 F73 T132 A133 T159 T161	S70-Q144 PolarHBondContact OG-NE2 3.42Å; S70-Q144 VanDerWaalsContact OG-NE2 3.08Å; F73-Q144 HydrophobicContact CB-CB 4.27Å; F73-Q144 HydrophobicContact CD1-CB 3.6Å; F73-Q144 HydrophobicContact CD2-CB 4.14Å; F73-Q144 HydrophobicContact CE1-CB 3.86Å; F73-Q144 HydrophobicContact CE2-CB 4.38Å; F73-Q144 HydrophobicContact CG-CB 3.75Å; F73-Q144 HydrophobicContact CZ-CB 4.25Å; T132-Q144 CarbonylContact C-O 3.56Å; T132-Q144 WeakPolarHBondContact CA-O 3.39Å; A133-Q144 PolarHBondContact N-O 3.23Å; A133-Q144 PolarHBondContact O-N 2.89Å; Q144-T159 HydrophobicContact CG-CG2 3.93Å; Q144-T161 PolarHBondContact NE2-OG1 3.36Å
145	S	95.4	Very high	93.5	Very high	8 Å²	8	50.3 Å²	50.3	6%	0.056	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.3	178.1	-61.3	0	0	0	0	110.9	D131 T132 F147 T159 M160	D131-S145 CarbonylContact O-C 3.52Å; D131-S145 WeakPolarHBondContact O-CA 3.38Å; T132-S145 WeakPolarHBondContact CG2-OG 3.21Å; T132-S145 PolarHBondContact OG1-OG 3.33Å; T132-S145 VanDerWaalsContact OG1-OG 3.07Å; S145-F147 VanDerWaalsContact CB-CE2 3.45Å; S145-T159 WeakPolarHBondContact O-CA 3.27Å; S145-M160 PolarHBondContact N-O 3.26Å; S145-M160 PolarHBondContact O-N 3.07Å
146	N	95.9	Very high	93.6	Very high	50 Å²	50	50.5 Å²	50.5	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.6	170.5	-64.7	-47.4	0	0	0	108.4	F130 D131 T157 A158 T159	F130-N146 CarbonylContact C-O 3.6Å; F130-N146 WeakPolarHBondContact CA-O 3.46Å; F130-N146 WeakPolarHBondContact CB-O 3.38Å; D131-N146 PolarHBondContact N-O 3.37Å; D131-N146 PolarHBondContact O-N 3.12Å; N146-T157 HydrophobicContact CB-CG2 4.11Å; N146-A158 CarbonylContact C-O 3.51Å; N146-A158 VanDerWaalsContact CA-O 3.29Å; N146-A158 WeakPolarHBondContact CA-O 3.45Å; N146-T159 WeakPolarHBondContact OD1-CB 3.45Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.38Å; N146-T159 PolarHBondContact OD1-OG1 2.03Å
147	F	95.9	Very high	93.9	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.8	179.3	-59.9	-87.6	0	0	0	109.1	P107 I124 Y127 F130 S145 T157 A158 M160	P107-F147 HydrophobicContact CG-CE1 4.01Å; I124-F147 HydrophobicContact CG1-CB 4.46Å; I124-F147 HydrophobicContact CG1-CD2 4.38Å; I124-F147 HydrophobicContact CG1-CG 4.45Å; Y127-F147 HydrophobicContact CD1-CD1 4.28Å; Y127-F147 HydrophobicContact CD2-CD1 4.28Å; Y127-F147 AromaticContact CG-CD1 3.99Å; Y127-F147 HydrophobicContact CG-CD1 3.99Å; F130-F147 HydrophobicContact CB-CD1 3.85Å; F130-F147 HydrophobicContact CB-CE1 4.21Å; S145-F147 VanDerWaalsContact CB-CE2 3.45Å; F147-T157 CarbonylContact O-C 3.51Å; F147-T157 VanDerWaalsContact O-CA 3.25Å; F147-T157 WeakPolarHBondContact O-CA 3.38Å; F147-A158 PolarHBondContact N-O 3.35Å; F147-A158 PolarHBondContact O-N 2.79Å; F147-M160 HydrophobicContact CD2-CG 4.31Å; F147-M160 HydrophobicContact CD2-SD 4.04Å; F147-M160 HydrophobicContact CE2-CB 4.28Å; F147-M160 HydrophobicContact CE2-CG 4.23Å; F147-M160 HydrophobicContact CE2-SD 3.86Å
148	S	95.6	Very high	94.2	Very high	20 Å²	20	47.2 Å²	47.2	14%	0.14	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.2	173.1	-52.8	0	0	0	0	109.6	E128 K129 V156 T157	E128-S148 PolarHBondContact N-O 2.8Å; K129-S148 PolarHBondContact N-O 3.41Å; K129-S148 PolarHBondContact O-N 2.84Å; S148-V156 WeakPolarHBondContact CA-O 3.08Å; S148-T157 PolarHBondContact OG-OG1 2.84Å
149	T	94.9	Very high	94.5	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155	178.4	-174.5	0	0	0	0	110.1	N126 V151 E155 V156 I181	N126-T149 PolarHBondContact O-OG1 2.73Å; T149-V151 HydrophobicContact CG2-CG2 4.11Å; T149-E155 WeakPolarHBondContact O-CA 3.1Å; T149-V156 HydrophobicContact CG2-CG2 3.67Å; T149-V156 PolarHBondContact N-O 2.78Å; T149-V156 PolarHBondContact O-N 2.85Å; T149-I181 HydrophobicContact CG2-CD1 3.89Å; T149-I181 HydrophobicContact CG2-CG1 4.13Å
150	N	93.7	Very high	94.8	Very high	72 Å²	72	35 Å²	35	39%	0.385	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.6	175.4	-168.6	-67.9	0	0	0	110	E128 G153 T154	E128-N150 VanDerWaalsContact OE1-CB 3.3Å; E128-N150 WeakPolarHBondContact OE1-CB 3.19Å; N150-G153 WeakPolarHBondContact OD1-CA 3.11Å; N150-G153 PolarHBondContact OD1-N 3.38Å; N150-T154 WeakPolarHBondContact CA-O 3.12Å
151	V	92.3	Very high	95	Very high	24 Å²	24	34.2 Å²	34.2	15%	0.145	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.1	173.7	-175.1	0	0	0	0	108.9	T149 G153 T154 V156 E180 I181	T149-V151 HydrophobicContact CG2-CG2 4.11Å; V151-G153 PolarHBondContact O-N 3.24Å; V151-T154 PolarHBondContact N-O 2.89Å; V151-T154 PolarHBondContact O-N 2.87Å; V151-V156 HydrophobicContact CB-CG2 4.42Å; V151-V156 HydrophobicContact CG2-CG2 3.76Å; V151-E180 HydrophobicContact CB-CB 4.2Å; V151-E180 HydrophobicContact CG1-CB 3.91Å; V151-E180 WeakPolarHBondContact CG1-O 3.33Å; V151-E180 HydrophobicContact CG2-CB 4.45Å; V151-I181 HydrophobicContact CG2-CG1 4.34Å
152	N	90.3	Very high	95.2	Very high	165 Å²	165	34.6 Å²	34.6	88%	0.882	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	37.5	178.3	-60.9	-41.5	0	0	0	114.1
153	G	90.7	Very high	95.2	Very high	62 Å²	62	34.6 Å²	34.6	64%	0.639	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	-5.7	-179.2	0	0	0	0	0	114.6	N150 V151	N150-G153 WeakPolarHBondContact OD1-CA 3.11Å; N150-G153 PolarHBondContact OD1-N 3.38Å; V151-G153 PolarHBondContact O-N 3.24Å
154	T	92.8	Very high	95.2	Very high	89 Å²	89	34.5 Å²	34.5	55%	0.546	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.3	178.2	-54.1	0	0	0	0	110.3	N150 V151 V156	N150-T154 WeakPolarHBondContact CA-O 3.12Å; V151-T154 PolarHBondContact N-O 2.89Å; V151-T154 PolarHBondContact O-N 2.87Å; T154-V156 HydrophobicContact CG2-CG1 4.22Å; T154-V156 PolarHBondContact O-N 2.89Å
155	E	94.6	Very high	95	Very high	104 Å²	104	35.6 Å²	35.6	49%	0.486	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	118.3	170.7	-168.2	-179.9	-116.1	0	0	108.7	K129 T149	K129-E155 IonicContact NZ-OE1 2.66Å; K129-E155 PolarHBondContact NZ-OE1 3.49Å; T149-E155 WeakPolarHBondContact O-CA 3.1Å
156	V	95.9	Very high	94.7	Very high	16 Å²	16	37.1 Å²	37.1	10%	0.097	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.1	174.8	-61.4	0	0	0	0	109.1	S148 T149 V151 T154 P178 I181	S148-V156 WeakPolarHBondContact CA-O 3.08Å; T149-V156 HydrophobicContact CG2-CG2 3.67Å; T149-V156 PolarHBondContact N-O 2.78Å; T149-V156 PolarHBondContact O-N 2.85Å; V151-V156 HydrophobicContact CB-CG2 4.42Å; V151-V156 HydrophobicContact CG2-CG2 3.76Å; T154-V156 HydrophobicContact CG2-CG1 4.22Å; T154-V156 PolarHBondContact O-N 2.89Å; V156-P178 HydrophobicContact CB-CB 4.15Å; V156-P178 HydrophobicContact CB-CG 3.94Å; V156-P178 HydrophobicContact CG2-CB 4.34Å; V156-P178 HydrophobicContact CG2-CG 4.21Å; V156-I181 HydrophobicContact CG2-CD1 4.19Å; V156-I181 HydrophobicContact CG2-CG1 4.04Å
157	T	96.9	Very high	94.1	Very high	51 Å²	51	37.3 Å²	37.3	31%	0.313	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.8	178.5	-62.5	0	0	0	0	110.2	N146 F147 S148 Y176 P178	N146-T157 HydrophobicContact CB-CG2 4.11Å; F147-T157 CarbonylContact O-C 3.51Å; F147-T157 VanDerWaalsContact O-CA 3.25Å; F147-T157 WeakPolarHBondContact O-CA 3.38Å; S148-T157 PolarHBondContact OG-OG1 2.84Å; T157-Y176 WeakPolarHBondContact O-CD1 3.49Å; T157-Y176 WeakPolarHBondContact O-CE1 3.46Å; T157-P178 WeakPolarHBondContact O-CG 3.26Å
158	A	97.6	Very high	93.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.6	171.5	0	0	0	0	0	110.8	I124 N146 F147 Y176 I177 I181	I124-A158 HydrophobicContact CD1-CB 3.16Å; I124-A158 HydrophobicContact CG1-CB 4.4Å; N146-A158 CarbonylContact C-O 3.51Å; N146-A158 VanDerWaalsContact CA-O 3.29Å; N146-A158 WeakPolarHBondContact CA-O 3.45Å; F147-A158 PolarHBondContact N-O 3.35Å; F147-A158 PolarHBondContact O-N 2.79Å; A158-Y176 CarbonylContact C-O 3.55Å; A158-Y176 VanDerWaalsContact CA-O 3.24Å; A158-Y176 WeakPolarHBondContact CA-O 3.09Å; A158-I177 HydrophobicContact CB-CD1 4.21Å; A158-I181 HydrophobicContact CB-CD1 4.05Å
159	T	97.4	Very high	93.3	Very high	22 Å²	22	44.7 Å²	44.7	14%	0.135	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.6	179.2	-57.1	0	0	0	0	109.1	Q144 S145 N146 D175 Y176	Q144-T159 HydrophobicContact CG-CG2 3.93Å; S145-T159 WeakPolarHBondContact O-CA 3.27Å; N146-T159 WeakPolarHBondContact OD1-CB 3.45Å; N146-T159 WeakPolarHBondContact OD1-CG2 3.38Å; N146-T159 PolarHBondContact OD1-OG1 2.03Å; T159-D175 HydrophobicContact CG2-CB 3.67Å; T159-D175 PolarHBondContact O-N 2.84Å; T159-Y176 PolarHBondContact N-O 2.02Å; T159-Y176 PolarHBondContact O-N 3Å
160	M	97.6	Very high	93.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.6	-176.7	-50.8	177.2	87.4	0	0	109.6	N122 I124 S145 F147 Y174 I177 I212	N122-M160 WeakPolarHBondContact OD1-CE 3.26Å; I124-M160 HydrophobicContact CD1-SD 4.29Å; I124-M160 HydrophobicContact CG1-SD 3.71Å; S145-M160 PolarHBondContact N-O 3.26Å; S145-M160 PolarHBondContact O-N 3.07Å; F147-M160 HydrophobicContact CD2-CG 4.31Å; F147-M160 HydrophobicContact CD2-SD 4.04Å; F147-M160 HydrophobicContact CE2-CB 4.28Å; F147-M160 HydrophobicContact CE2-CG 4.23Å; F147-M160 HydrophobicContact CE2-SD 3.86Å; M160-Y174 HydrophobicContact CB-CD1 4.44Å; M160-Y174 HydrophobicContact CE-CD1 3.53Å; M160-Y174 HydrophobicContact CE-CE1 3.52Å; M160-Y174 HydrophobicContact CG-CD1 4.29Å; M160-I177 HydrophobicContact CE-CD1 4.21Å; M160-I177 HydrophobicContact CG-CD1 3.88Å; M160-I177 HydrophobicContact SD-CD1 4.36Å; M160-I212 HydrophobicContact CE-CG2 3.94Å
161	T	97.6	Very high	93.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.4	-177.8	-60.1	0	0	0	0	110.6	F73 N122 V143 Q144 L163 F172 Y173 D175	F73-T161 HydrophobicContact CE1-CG2 4.19Å; F73-T161 HydrophobicContact CE2-CG2 4.24Å; F73-T161 HydrophobicContact CZ-CG2 3.55Å; N122-T161 PolarHBondContact ND2-O 2.82Å; V143-T161 WeakPolarHBondContact O-CA 3.18Å; Q144-T161 PolarHBondContact NE2-OG1 3.36Å; T161-L163 HydrophobicContact CG2-CD2 3.78Å; T161-L163 HydrophobicContact CG2-CG 4.05Å; T161-F172 CarbonylContact O-C 3.47Å; T161-F172 WeakPolarHBondContact O-CA 3.32Å; T161-Y173 PolarHBondContact N-O 3.43Å; T161-Y173 PolarHBondContact O-N 3.5Å; T161-D175 WeakPolarHBondContact CB-OD2 3.41Å; T161-D175 PolarHBondContact N-OD2 2.8Å; T161-D175 PolarHBondContact OG1-OD2 2.8Å
162	T	97.4	Very high	93.8	Very high	10 Å²	10	40.2 Å²	40.2	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.7	172.2	-59	0	0	0	0	108.8	L109 I120 N122 G142 V143 L170 S171 F172	L109-T162 HydrophobicContact CD1-CG2 4.01Å; I120-T162 HydrophobicContact CG2-CG2 3.8Å; N122-T162 WeakPolarHBondContact CB-OG1 3.33Å; N122-T162 PolarHBondContact ND2-OG1 3.1Å; G142-T162 CarbonylContact C-O 3.48Å; G142-T162 VanDerWaalsContact CA-O 3.28Å; G142-T162 WeakPolarHBondContact CA-O 3.44Å; V143-T162 PolarHBondContact N-O 3.08Å; V143-T162 PolarHBondContact O-N 2.98Å; T162-L170 HydrophobicContact CG2-CD1 3.88Å; T162-S171 CarbonylContact C-O 3.59Å; T162-S171 WeakPolarHBondContact CA-O 3.45Å; T162-F172 HydrophobicContact CG2-CD1 3.96Å; T162-F172 HydrophobicContact CG2-CE1 3.76Å
163	L	96.3	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.5	178.7	-54	172.5	0	0	0	111.1	P67 V68 F73 L140 L141 T161 L170 S171	P67-L163 HydrophobicContact CB-CD1 3.96Å; P67-L163 HydrophobicContact CG-CD1 3.62Å; V68-L163 HydrophobicContact CG2-CD1 3.68Å; V68-L163 HydrophobicContact CG2-CD2 3.96Å; F73-L163 HydrophobicContact CZ-CD2 3.96Å; L140-L163 HydrophobicContact CD1-CB 4.1Å; L140-L163 HydrophobicContact CD1-CD2 4.32Å; L141-L163 CarbonylContact O-C 3.59Å; L141-L163 WeakPolarHBondContact O-CA 2.97Å; T161-L163 HydrophobicContact CG2-CD2 3.78Å; T161-L163 HydrophobicContact CG2-CG 4.05Å; L163-L170 CarbonylContact O-C 3.53Å; L163-L170 WeakPolarHBondContact O-CA 3.4Å; L163-L170 WeakPolarHBondContact O-CD1 3.45Å; L163-S171 WeakPolarHBondContact CB-OG 3.4Å; L163-S171 PolarHBondContact N-O 2.71Å; L163-S171 PolarHBondContact O-N 2.93Å
164	I	95	Very high	94.5	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.5	176.8	-57.3	177.1	0	0	0	106.7	F87 F89 I99 I120 L141 L170	F87-I164 HydrophobicContact CE2-CG2 4.06Å; F87-I164 HydrophobicContact CZ-CB 4.47Å; F87-I164 HydrophobicContact CZ-CG2 4Å; F87-I164 VanDerWaalsContact CZ-O 3.31Å; F87-I164 WeakPolarHBondContact CZ-O 3.48Å; F89-I164 HydrophobicContact CD1-CG2 4.48Å; F89-I164 HydrophobicContact CD2-CG2 3.9Å; F89-I164 HydrophobicContact CE1-CG2 4.43Å; F89-I164 HydrophobicContact CE2-CG2 3.81Å; F89-I164 HydrophobicContact CG-CG2 4.22Å; F89-I164 HydrophobicContact CZ-CD1 4.48Å; F89-I164 HydrophobicContact CZ-CG2 4.08Å; I99-I164 HydrophobicContact CD1-CD1 3.34Å; I120-I164 HydrophobicContact CD1-CD1 3.88Å; L141-I164 HydrophobicContact CB-CB 4.33Å; L141-I164 HydrophobicContact CD2-CD1 4.32Å; L141-I164 PolarHBondContact N-O 2.82Å; L141-I164 PolarHBondContact O-N 2.97Å; I164-L170 HydrophobicContact CG1-CD1 3.8Å
165	H	92.1	Very high	94.7	Very high	37 Å²	37	27.3 Å²	27.3	17%	0.171	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.8	-175.6	-61.2	-100.8	0	0	0	111	N167 R168 M169	H165-N167 WeakPolarHBondContact CB-OD1 3.31Å; H165-N167 PolarHBondContact O-N 2.83Å; H165-R168 PolarHBondContact O-N 2.92Å; H165-R168 VanDerWaalsContact O-N 3.11Å; H165-M169 HydrophobicContact CB-CB 4.19Å; H165-M169 PolarHBondContact N-O 3.45Å
166	S	88.4	Confident	94.9	Very high	40 Å²	40	28.3 Å²	28.3	28%	0.28	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28	173.8	64.7	0	0	0	0	113.4	F87 E139 R168	F87-S166 VanDerWaalsContact CD2-CA 3.48Å; E139-S166 PolarHBondContact O-N 3.3Å; S166-R168 PolarHBondContact O-N 2.04Å; S166-R168 VanDerWaalsContact O-N 3.14Å
167	N	83.7	Confident	94.9	Very high	55 Å²	55	28.1 Å²	28.1	29%	0.294	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	15.1	177.3	71.8	1.7	0	0	0	114.3	H165 M169	H165-N167 WeakPolarHBondContact CB-OD1 3.31Å; H165-N167 PolarHBondContact O-N 2.83Å; N167-M169 PolarHBondContact O-N 3.48Å; N167-M169 WeakPolarHBondContact OD1-CB 3.26Å; N167-M169 PolarHBondContact OD1-N 3.46Å
168	R	82.5	Confident	94.9	Very high	155 Å²	155	25.8 Å²	25.8	59%	0.585	12%	0.12	S	C	*	.	S	Bend	trans	68.8	15.4	179.2	-46.4	174.8	-176.8	179.7	1.3	114.8	H165 S166	H165-R168 PolarHBondContact O-N 2.92Å; H165-R168 VanDerWaalsContact O-N 3.11Å; S166-R168 PolarHBondContact O-N 2.04Å; S166-R168 VanDerWaalsContact O-N 3.14Å
169	M	91.1	Very high	94.8	Very high	20 Å²	20	32.3 Å²	32.3	10%	0.099	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.6	171	-170.1	170.2	63.9	0	0	110.1	H165 N167 E219 Y220	H165-M169 HydrophobicContact CB-CB 4.19Å; H165-M169 PolarHBondContact N-O 3.45Å; N167-M169 PolarHBondContact O-N 3.48Å; N167-M169 WeakPolarHBondContact OD1-CB 3.26Å; N167-M169 PolarHBondContact OD1-N 3.46Å; M169-E219 HydrophobicContact CG-CB 4.48Å; M169-E219 HydrophobicContact SD-CB 4.28Å; M169-E219 HydrophobicContact SD-CG 4.3Å; M169-Y220 WeakPolarHBondContact CA-O 3.34Å
170	L	95.5	Very high	94.7	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.1	170.1	163.5	67.3	0	0	0	107	Y91 I120 T162 L163 I164 I190 Y220	Y91-L170 HydrophobicContact CE2-CD2 4.26Å; I120-L170 HydrophobicContact CD1-CD1 3.84Å; I120-L170 HydrophobicContact CD1-CD2 3.83Å; I120-L170 HydrophobicContact CG1-CD1 4.48Å; I120-L170 HydrophobicContact CG1-CD2 3.88Å; I120-L170 HydrophobicContact CG2-CD1 4.11Å; I120-L170 HydrophobicContact CG2-CD2 4.31Å; T162-L170 HydrophobicContact CG2-CD1 3.88Å; L163-L170 CarbonylContact O-C 3.53Å; L163-L170 WeakPolarHBondContact O-CA 3.4Å; L163-L170 WeakPolarHBondContact O-CD1 3.45Å; I164-L170 HydrophobicContact CG1-CD1 3.8Å; L170-I190 HydrophobicContact CD2-CB 4.38Å; L170-I190 HydrophobicContact CD2-CG2 3.39Å; L170-Y220 HydrophobicContact CD2-CD2 4.33Å; L170-Y220 HydrophobicContact CG-CD2 4.23Å; L170-Y220 PolarHBondContact N-O 3.39Å; L170-Y220 PolarHBondContact O-N 2.74Å
171	S	97.4	Very high	94.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149	179.4	63	0	0	0	0	113.1	T162 L163 V218	T162-S171 CarbonylContact C-O 3.59Å; T162-S171 WeakPolarHBondContact CA-O 3.45Å; L163-S171 WeakPolarHBondContact CB-OG 3.4Å; L163-S171 PolarHBondContact N-O 2.71Å; L163-S171 PolarHBondContact O-N 2.93Å; S171-V218 CarbonylContact C-O 3.49Å; S171-V218 WeakPolarHBondContact CA-O 3.48Å; S171-V218 WeakPolarHBondContact CB-O 3.23Å
172	F	98.5	Very high	94.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.9	164.5	-56.7	-38.8	0	0	0	108.3	I120 N122 T161 T162 Y174 I190 V207 L217 V218 Y220	I120-F172 HydrophobicContact CG2-CE1 3.44Å; I120-F172 VanDerWaalsContact CG2-CE1 3.44Å; I120-F172 HydrophobicContact CG2-CZ 3.67Å; N122-F172 HydrophobicContact CB-CD1 4.07Å; N122-F172 HydrophobicContact CB-CE1 3.92Å; N122-F172 HydrophobicContact CB-CZ 4.31Å; T161-F172 CarbonylContact O-C 3.47Å; T161-F172 WeakPolarHBondContact O-CA 3.32Å; T162-F172 HydrophobicContact CG2-CD1 3.96Å; T162-F172 HydrophobicContact CG2-CE1 3.76Å; F172-Y174 HydrophobicContact CB-CE1 4.12Å; F172-I190 HydrophobicContact CE2-CG2 4.37Å; F172-I190 HydrophobicContact CZ-CG2 3.97Å; F172-V207 HydrophobicContact CD2-CG2 3.87Å; F172-V207 HydrophobicContact CE2-CG2 4.17Å; F172-L217 CarbonylContact O-C 3.47Å; F172-L217 WeakPolarHBondContact O-CA 3.2Å; F172-V218 HydrophobicContact CB-CB 4.22Å; F172-V218 PolarHBondContact N-O 3.42Å; F172-V218 PolarHBondContact O-N 3.46Å; F172-Y220 AromaticContact CD2-CE2 3.88Å; F172-Y220 HydrophobicContact CD2-CE2 3.88Å; F172-Y220 AromaticContact CE2-CE2 3.65Å; F172-Y220 HydrophobicContact CE2-CE2 3.65Å; F172-Y220 HydrophobicContact CZ-CE2 4.33Å
173	Y	98.5	Very high	94.3	Very high	16 Å²	16	47 Å²	47	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.8	169.3	-178.2	-102.8	0	0	0	108.4	Q64 Q66 P67 T161 D175 T216 L217	Q64-Y173 HydrophobicContact CB-CE2 4.42Å; Q64-Y173 PolarHBondContact O-OH 2.84Å; Q66-Y173 VanDerWaalsContact CA-CZ 3.49Å; Q66-Y173 HydrophobicContact CB-CE1 3.81Å; Q66-Y173 HydrophobicContact CG-CD1 4.03Å; Q66-Y173 HydrophobicContact CG-CE1 3.63Å; Q66-Y173 PolarHBondContact N-OH 3.06Å; P67-Y173 VanDerWaalsContact CD-CG 3.44Å; P67-Y173 HydrophobicContact CG-CD2 4.3Å; P67-Y173 HydrophobicContact CG-CG 4.03Å; T161-Y173 PolarHBondContact N-O 3.43Å; T161-Y173 PolarHBondContact O-N 3.5Å; Y173-D175 HydrophobicContact CD1-CB 4.3Å; Y173-D175 VanDerWaalsContact CD1-CG 3.5Å; Y173-D175 VanDerWaalsContact CD1-OD1 3.27Å; Y173-D175 WeakPolarHBondContact CD1-OD1 3.33Å; Y173-D175 HydrophobicContact CE1-CB 4.07Å; Y173-D175 VanDerWaalsContact CE1-OD1 3.31Å; Y173-D175 WeakPolarHBondContact CE1-OD1 3.39Å; Y173-T216 WeakPolarHBondContact CA-O 3.36Å; Y173-L217 HydrophobicContact CD2-CB 4.24Å; Y173-L217 HydrophobicContact CD2-CD1 4.27Å
174	Y	98.3	Very high	94.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	95.4	176.6	-45.7	-61.2	0	0	0	108.6	N122 M160 F172 Y176 I177 S188 I212 S214 G215 T216 V218	N122-Y174 WeakPolarHBondContact OD1-CE1 3.42Å; M160-Y174 HydrophobicContact CB-CD1 4.44Å; M160-Y174 HydrophobicContact CE-CD1 3.53Å; M160-Y174 HydrophobicContact CE-CE1 3.52Å; M160-Y174 HydrophobicContact CG-CD1 4.29Å; F172-Y174 HydrophobicContact CB-CE1 4.12Å; Y174-Y176 VanDerWaalsContact C-N 3.33Å; Y174-Y176 PolarHBondContact O-N 2.71Å; Y174-I177 HydrophobicContact CD1-CD1 4.43Å; Y174-I177 HydrophobicContact CG-CD1 4.43Å; Y174-I177 HydrophobicContact CG-CG1 4.31Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.41Å; Y174-S188 WeakPolarHBondContact OH-CB 3.43Å; Y174-S188 PolarHBondContact OH-OG 3.22Å; Y174-I212 HydrophobicContact CD1-CG2 3.89Å; Y174-I212 HydrophobicContact CD2-CB 4.43Å; Y174-I212 HydrophobicContact CD2-CG2 4Å; Y174-I212 HydrophobicContact CE1-CG2 3.74Å; Y174-I212 HydrophobicContact CE2-CB 4.07Å; Y174-I212 HydrophobicContact CE2-CG1 4.06Å; Y174-I212 HydrophobicContact CE2-CG2 3.91Å; Y174-I212 HydrophobicContact CG-CG2 4.04Å; Y174-S214 CarbonylContact O-C 3.54Å; Y174-S214 WeakPolarHBondContact O-CA 3.49Å; Y174-G215 PolarHBondContact O-N 3.14Å; Y174-T216 PolarHBondContact N-O 2.91Å; Y174-T216 VanDerWaalsContact N-O 3.1Å; Y174-V218 HydrophobicContact CE2-CG2 3.98Å
175	D	97.4	Very high	94.2	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	-45.5	-177.6	-53.9	-97.1	0	0	0	111.1	Q66 T159 T161 Y173	Q66-D175 PolarHBondContact NE2-OD1 2.87Å; T159-D175 HydrophobicContact CG2-CB 3.67Å; T159-D175 PolarHBondContact O-N 2.84Å; T161-D175 WeakPolarHBondContact CB-OD2 3.41Å; T161-D175 PolarHBondContact N-OD2 2.8Å; T161-D175 PolarHBondContact OG1-OD2 2.8Å; Y173-D175 HydrophobicContact CD1-CB 4.3Å; Y173-D175 VanDerWaalsContact CD1-CG 3.5Å; Y173-D175 VanDerWaalsContact CD1-OD1 3.27Å; Y173-D175 WeakPolarHBondContact CD1-OD1 3.33Å; Y173-D175 HydrophobicContact CE1-CB 4.07Å; Y173-D175 VanDerWaalsContact CE1-OD1 3.31Å; Y173-D175 WeakPolarHBondContact CE1-OD1 3.39Å
176	Y	97.1	Very high	94.5	Very high	124 Å²	124	50.8 Å²	50.8	49%	0.486	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	121.6	176.9	-178.4	-113.2	0	0	0	111	T157 A158 T159 Y174 P178	T157-Y176 WeakPolarHBondContact O-CD1 3.49Å; T157-Y176 WeakPolarHBondContact O-CE1 3.46Å; A158-Y176 CarbonylContact C-O 3.55Å; A158-Y176 VanDerWaalsContact CA-O 3.24Å; A158-Y176 WeakPolarHBondContact CA-O 3.09Å; T159-Y176 PolarHBondContact N-O 2.02Å; T159-Y176 PolarHBondContact O-N 3Å; Y174-Y176 VanDerWaalsContact C-N 3.33Å; Y174-Y176 PolarHBondContact O-N 2.71Å; Y176-P178 HydrophobicContact CD1-CG 4.24Å; Y176-P178 HydrophobicContact CE1-CB 4.45Å; Y176-P178 HydrophobicContact CE1-CG 3.67Å
177	I	97.4	Very high	94.9	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.062	25%	0.253	C	S	.	.			trans	-121.3	109.6	172	-53.8	-62.7	0	0	0	107.1	A158 M160 Y174 L186 I212 S214	A158-I177 HydrophobicContact CB-CD1 4.21Å; M160-I177 HydrophobicContact CE-CD1 4.21Å; M160-I177 HydrophobicContact CG-CD1 3.88Å; M160-I177 HydrophobicContact SD-CD1 4.36Å; Y174-I177 HydrophobicContact CD1-CD1 4.43Å; Y174-I177 HydrophobicContact CG-CD1 4.43Å; Y174-I177 HydrophobicContact CG-CG1 4.31Å; I177-L186 HydrophobicContact CG2-CD1 4.08Å; I177-L186 HydrophobicContact CG2-CD2 4Å; I177-I212 HydrophobicContact CD1-CG2 4.38Å; I177-I212 HydrophobicContact CG1-CG2 4.44Å; I177-S214 PolarHBondContact N-OG 3.46Å; I177-S214 PolarHBondContact O-OG 2.92Å
178	P	96.4	Very high	95.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.019	24%	0.24	C	C	.	.			trans	-55.6	141.2	173.3	-20.9	28.3	0	0	0	111.6	V156 T157 Y176 E180 I181	V156-P178 HydrophobicContact CB-CB 4.15Å; V156-P178 HydrophobicContact CB-CG 3.94Å; V156-P178 HydrophobicContact CG2-CB 4.34Å; V156-P178 HydrophobicContact CG2-CG 4.21Å; T157-P178 WeakPolarHBondContact O-CG 3.26Å; Y176-P178 HydrophobicContact CD1-CG 4.24Å; Y176-P178 HydrophobicContact CE1-CB 4.45Å; Y176-P178 HydrophobicContact CE1-CG 3.67Å; P178-E180 VanDerWaalsContact CB-OE2 3.24Å; P178-E180 WeakPolarHBondContact CB-OE2 3.26Å; P178-E180 PolarHBondContact O-N 3.46Å; P178-I181 HydrophobicContact CB-CD1 4.38Å; P178-I181 HydrophobicContact CB-CG1 4.25Å; P178-I181 HydrophobicContact CG-CD1 4Å; P178-I181 HydrophobicContact CG-CG1 4.41Å; P178-I181 PolarHBondContact O-N 2.96Å
179	T	95	Very high	96.3	Very high	137 Å²	137	45.5 Å²	45.5	84%	0.84	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.5	179.7	45.6	0	0	0	0	113.4	I181	T179-I181 VanDerWaalsContact C-N 3.3Å
180	E	94.6	Very high	96.6	Very high	96 Å²	96	44.6 Å²	44.6	45%	0.449	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.6	178.1	-60.5	83.9	170.6	0	0	112.1	V151 P178 E182	V151-E180 HydrophobicContact CB-CB 4.2Å; V151-E180 HydrophobicContact CG1-CB 3.91Å; V151-E180 WeakPolarHBondContact CG1-O 3.33Å; V151-E180 HydrophobicContact CG2-CB 4.45Å; P178-E180 VanDerWaalsContact CB-OE2 3.24Å; P178-E180 WeakPolarHBondContact CB-OE2 3.26Å; P178-E180 PolarHBondContact O-N 3.46Å; E180-E182 PolarHBondContact O-N 3Å
181	I	94.8	Very high	96.5	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.051	22%	0.222	C	C	.	.	S	Bend	trans	-78.2	122.8	178	-60.1	-179.3	0	0	0	109.1	I124 T149 V151 V156 A158 P178 T179 E185 L186	I124-I181 HydrophobicContact CD1-CD1 3.59Å; I124-I181 HydrophobicContact CD1-CG2 4.43Å; I124-I181 HydrophobicContact CG2-CD1 4.5Å; I124-I181 HydrophobicContact CG2-CG2 3.84Å; T149-I181 HydrophobicContact CG2-CD1 3.89Å; T149-I181 HydrophobicContact CG2-CG1 4.13Å; V151-I181 HydrophobicContact CG2-CG1 4.34Å; V156-I181 HydrophobicContact CG2-CD1 4.19Å; V156-I181 HydrophobicContact CG2-CG1 4.04Å; A158-I181 HydrophobicContact CB-CD1 4.05Å; P178-I181 HydrophobicContact CB-CD1 4.38Å; P178-I181 HydrophobicContact CB-CG1 4.25Å; P178-I181 HydrophobicContact CG-CD1 4Å; P178-I181 HydrophobicContact CG-CG1 4.41Å; P178-I181 PolarHBondContact O-N 2.96Å; T179-I181 VanDerWaalsContact C-N 3.3Å; I181-E185 HydrophobicContact CG2-CB 4.14Å; I181-L186 HydrophobicContact CG2-CD2 3.82Å; I181-L186 HydrophobicContact CG2-CG 4.26Å
182	E	95	Very high	96.3	Very high	128 Å²	128	44.9 Å²	44.9	60%	0.598	22%	0.222	S	C	*	.			trans	-66.2	141.9	-179.9	-70	-66.1	165.8	0	0	111.6	E180 S184 E185	E180-E182 PolarHBondContact O-N 3Å; E182-S184 PolarHBondContact O-N 3.33Å; E182-E185 HydrophobicContact CB-CG 4.35Å; E182-E185 PolarHBondContact O-N 3.31Å
183	Q	95.6	Very high	95.9	Very high	110 Å²	110	48.8 Å²	48.8	51%	0.514	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-56.7	-29.2	177.3	-70.7	-176.6	19.2	0	0	112.3	E185 L186 A209	Q183-E185 PolarHBondContact O-N 2.93Å; Q183-L186 PolarHBondContact O-N 3.06Å; Q183-A209 HydrophobicContact CB-CB 4.02Å; Q183-A209 WeakPolarHBondContact O-CB 3.22Å
184	S	94.6	Very high	95.3	Very high	78 Å²	78	48.3 Å²	48.3	55%	0.545	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-66.4	-12.6	175.9	56.7	0	0	0	0	113.9	E182 R187	E182-S184 PolarHBondContact O-N 3.33Å; S184-R187 PolarHBondContact O-NH1 2.89Å; S184-R187 PolarHBondContact O-NH2 2.99Å
185	E	95.3	Very high	94.7	Very high	37 Å²	37	56.2 Å²	56.2	17%	0.173	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-97.8	-16.6	177.4	-58.4	-168.3	151.5	0	0	112.6	I124 E125 N126 I181 E182 Q183	I124-E185 CarbonylContact C-O 3.56Å; I124-E185 WeakPolarHBondContact CA-O 3.28Å; I124-E185 HydrophobicContact CG2-CB 3.98Å; E125-E185 HydrophobicContact CB-CB 4.38Å; E125-E185 PolarHBondContact N-O 2.91Å; N126-E185 PolarHBondContact ND2-OE1 3.4Å; I181-E185 HydrophobicContact CG2-CB 4.14Å; E182-E185 HydrophobicContact CB-CG 4.35Å; E182-E185 PolarHBondContact O-N 3.31Å; Q183-E185 PolarHBondContact O-N 2.93Å
186	L	96.9	Very high	94.2	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.3	-176.3	-59.1	173.1	0	0	0	110.6	I124 I177 I181 Q183 I212	I124-L186 HydrophobicContact CD1-CD2 3.77Å; I124-L186 HydrophobicContact CG1-CD2 3.91Å; I124-L186 HydrophobicContact CG2-CD2 4.32Å; I177-L186 HydrophobicContact CG2-CD1 4.08Å; I177-L186 HydrophobicContact CG2-CD2 4Å; I181-L186 HydrophobicContact CG2-CD2 3.82Å; I181-L186 HydrophobicContact CG2-CG 4.26Å; Q183-L186 PolarHBondContact O-N 3.06Å; L186-I212 HydrophobicContact CB-CB 4.14Å; L186-I212 HydrophobicContact CB-CD1 3.86Å; L186-I212 HydrophobicContact CB-CG2 4Å; L186-I212 HydrophobicContact CD1-CB 3.91Å; L186-I212 HydrophobicContact CD1-CG2 3.91Å; L186-I212 WeakPolarHBondContact CD1-O 3.44Å; L186-I212 HydrophobicContact CD2-CG2 4.21Å; L186-I212 HydrophobicContact CG-CG2 4.26Å
187	R	96.8	Very high	93.5	Very high	76 Å²	76	58.1 Å²	58.1	29%	0.287	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	108.4	-177.1	-63.4	-65.7	-177.8	-90.9	-10.2	111.4	N122 Y123 E125 S184	N122-R187 WeakPolarHBondContact CA-O 3.15Å; Y123-R187 HydrophobicContact CD1-CB 3.97Å; Y123-R187 HydrophobicContact CD2-CB 4.48Å; Y123-R187 HydrophobicContact CE1-CB 3.5Å; Y123-R187 VanDerWaalsContact CE1-CB 3.5Å; Y123-R187 HydrophobicContact CE1-CG 4.24Å; Y123-R187 HydrophobicContact CE2-CB 4.08Å; Y123-R187 HydrophobicContact CE2-CG 4.13Å; Y123-R187 HydrophobicContact CG-CB 4.41Å; Y123-R187 PolarHBondContact N-O 3.43Å; Y123-R187 CarbonylContact O-C 3.6Å; Y123-R187 PolarHBondContact O-N 3.1Å; E125-R187 HydrophobicContact CG-CG 3.85Å; E125-R187 WeakPolarHBondContact OE1-CG 3.42Å; E125-R187 IonicContact OE1-CZ 3.66Å; E125-R187 VanDerWaalsContact OE1-CZ 3.26Å; E125-R187 IonicContact OE1-NE 2.9Å; E125-R187 PolarHBondContact OE1-NE 3.31Å; E125-R187 IonicContact OE1-NH2 3.54Å; E125-R187 PolarHBondContact OE1-NH2 3.03Å; E125-R187 VanDerWaalsContact OE1-NH2 3.09Å; E125-R187 IonicContact OE2-CZ 3.48Å; E125-R187 IonicContact OE2-NE 2.86Å; E125-R187 IonicContact OE2-NH2 3.38Å; E125-R187 PolarHBondContact OE2-NH2 3.47Å; S184-R187 PolarHBondContact O-NH1 2.89Å; S184-R187 PolarHBondContact O-NH2 2.99Å
188	S	98	Very high	92.7	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.028	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124.1	170.2	-50.5	0	0	0	0	109.8	D121 N122 Y174 V207	D121-S188 CarbonylContact O-C 3.23Å; D121-S188 VanDerWaalsContact O-CA 3.24Å; D121-S188 WeakPolarHBondContact O-CA 3.44Å; N122-S188 PolarHBondContact OD1-OG 2.98Å; Y174-S188 WeakPolarHBondContact CE1-OG 3.41Å; Y174-S188 WeakPolarHBondContact OH-CB 3.43Å; Y174-S188 PolarHBondContact OH-OG 3.22Å; S188-V207 PolarHBondContact O-N 3.32Å
189	K	97.5	Very high	92.1	Very high	59 Å²	59	63 Å²	63	26%	0.257	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	159.9	-177.7	63.5	-178.4	-177.1	-173.8	0	112.5	D121 V204 I205 P206	D121-K189 HydrophobicContact CB-CG 3.85Å; D121-K189 PolarHBondContact N-O 2.9Å; D121-K189 PolarHBondContact O-N 3.46Å; D121-K189 WeakPolarHBondContact OD2-CE 3.04Å; D121-K189 IonicContact OD2-NZ 2.68Å; K189-V204 HydrophobicContact CB-CG1 4.18Å; K189-V204 HydrophobicContact CD-CG1 3.87Å; K189-V204 HydrophobicContact CG-CG1 4.48Å; K189-I205 VanDerWaalsContact CA-O 3.3Å; K189-I205 WeakPolarHBondContact CA-O 3.38Å; K189-P206 HydrophobicContact CB-CB 4.31Å
190	I	96.9	Very high	91.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.6	169.3	65.7	164.2	0	0	0	109.5	Y56 Y92 L170 F172 V204 I205 Y220	Y56-I190 HydrophobicContact CD1-CD1 4.24Å; Y56-I190 HydrophobicContact CD2-CD1 3.85Å; Y56-I190 HydrophobicContact CE1-CD1 4.42Å; Y56-I190 HydrophobicContact CE2-CD1 4.08Å; Y56-I190 HydrophobicContact CG-CD1 3.96Å; Y92-I190 HydrophobicContact CE2-CD1 4.27Å; L170-I190 HydrophobicContact CD2-CB 4.38Å; L170-I190 HydrophobicContact CD2-CG2 3.39Å; F172-I190 HydrophobicContact CE2-CG2 4.37Å; F172-I190 HydrophobicContact CZ-CG2 3.97Å; I190-V204 WeakPolarHBondContact O-CA 3.49Å; I190-I205 HydrophobicContact CD1-CB 4.43Å; I190-I205 HydrophobicContact CD1-CD1 3.85Å; I190-I205 HydrophobicContact CG1-CB 3.8Å; I190-I205 HydrophobicContact CG1-CD1 4.09Å; I190-I205 HydrophobicContact CG1-CG1 4.33Å; I190-I205 PolarHBondContact N-O 3.29Å; I190-I205 PolarHBondContact O-N 3.49Å; I190-Y220 HydrophobicContact CD1-CD1 3.57Å; I190-Y220 HydrophobicContact CD1-CD2 4.4Å; I190-Y220 HydrophobicContact CD1-CE1 3.98Å; I190-Y220 HydrophobicContact CD1-CG 3.79Å; I190-Y220 HydrophobicContact CG1-CD1 4.11Å; I190-Y220 HydrophobicContact CG1-CE1 3.99Å; I190-Y220 HydrophobicContact CG1-CG 4.47Å; I190-Y220 HydrophobicContact CG2-CD2 4.05Å; I190-Y220 HydrophobicContact CG2-CE2 3.87Å
191	L	95.2	Very high	91.4	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.7	-175.7	-176.9	157.9	0	0	0	110.8	Y91 G118 S119 R193 E202 H203 V204	Y91-L191 WeakPolarHBondContact CE1-O 3.19Å; Y91-L191 PolarHBondContact OH-N 3Å; Y91-L191 VanDerWaalsContact OH-N 3.14Å; Y91-L191 PolarHBondContact OH-O 3.01Å; Y91-L191 VanDerWaalsContact OH-O 3.1Å; G118-L191 CarbonylContact C-O 3.53Å; G118-L191 WeakPolarHBondContact CA-O 3.33Å; S119-L191 PolarHBondContact N-O 3.15Å; S119-L191 PolarHBondContact O-N 2.83Å; S119-L191 WeakPolarHBondContact OG-CB 3.41Å; L191-R193 HydrophobicContact CD2-CG 3.97Å; L191-E202 HydrophobicContact CD1-CB 4.38Å; L191-E202 HydrophobicContact CD2-CB 4.41Å; L191-E202 HydrophobicContact CD2-CG 4.43Å; L191-E202 HydrophobicContact CG-CB 4.37Å; L191-H203 WeakPolarHBondContact CA-O 3.49Å; L191-V204 HydrophobicContact CB-CG2 4.38Å; L191-V204 HydrophobicContact CD1-CG2 3.79Å; L191-V204 HydrophobicContact CG-CG2 3.96Å
192	G	92.7	Very high	91.2	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.1	171.1	0	0	0	0	0	111.9	Y92 E202 H203	Y92-G192 VanDerWaalsContact CZ-N 3.35Å; G192-E202 WeakPolarHBondContact O-CA 3.32Å; G192-H203 PolarHBondContact N-O 2.89Å; G192-H203 PolarHBondContact O-N 2.68Å
193	R	90.1	Very high	91.1	Very high	82 Å²	82	60.3 Å²	60.3	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124	172	-71.7	-172.2	167.9	164	3.2	111.3	H117 L191 E202	H117-R193 PolarHBondContact CE1-NH1 2.85Å; H117-R193 PolarHBondContact NE2-NH1 3.39Å; H117-R193 WeakPolarHBondContact O-CG 3.47Å; L191-R193 HydrophobicContact CD2-CG 3.97Å; R193-E202 HydrophobicContact CG-CG 4.24Å; R193-E202 IonicContact CZ-OE1 2.91Å; R193-E202 IonicContact NE-OE1 3.33Å; R193-E202 PolarHBondContact NE-OE1 2.85Å; R193-E202 IonicContact NH2-OE1 3.38Å; R193-E202 PolarHBondContact NH2-OE1 3.33Å
194	I	86.6	Confident	91.1	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.4	-176.2	-60.9	162.9	0	0	0	108.5	N27 I29 Y55 F200 R201 H203	N27-I194 HydrophobicContact CB-CG2 4.11Å; N27-I194 WeakPolarHBondContact ND2-CG2 3.46Å; I29-I194 HydrophobicContact CB-CD1 4.32Å; I29-I194 HydrophobicContact CD1-CD1 3.5Å; I29-I194 VanDerWaalsContact CD1-CD1 3.5Å; I29-I194 HydrophobicContact CG1-CD1 4.49Å; I29-I194 HydrophobicContact CG2-CD1 3.78Å; I29-I194 HydrophobicContact CG2-CG2 4.4Å; Y55-I194 HydrophobicContact CD2-CD1 4.48Å; Y55-I194 HydrophobicContact CE2-CD1 3.76Å; Y55-I194 HydrophobicContact CE2-CG1 4.3Å; I194-F200 CarbonylContact O-C 3.6Å; I194-F200 WeakPolarHBondContact O-CA 3.13Å; I194-R201 PolarHBondContact N-O 3.09Å; I194-R201 PolarHBondContact O-N 3.28Å; I194-H203 HydrophobicContact CD1-CB 3.81Å
195	R	85.3	Confident	91.2	Very high	165 Å²	165	53.6 Å²	53.6	62%	0.623	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	124.9	175.4	-161.3	-153.9	-169.3	111.2	-9.8	110.2	C30 Y116 F200	C30-R195 PolarHBondContact SG-O 2.64Å; Y116-R195 HydrophobicContact CE2-CB 3.8Å; Y116-R195 VanDerWaalsContact OH-CB 3.31Å; Y116-R195 WeakPolarHBondContact OH-CB 2.96Å; Y116-R195 WeakPolarHBondContact OH-CD 3.15Å; Y116-R195 VanDerWaalsContact OH-CG 3.26Å; Y116-R195 WeakPolarHBondContact OH-CG 3.48Å; Y116-R195 PolarHBondContact OH-NH1 2.64Å; R195-F200 HydrophobicContact CB-CD1 4.43Å; R195-F200 HydrophobicContact CB-CE1 4.02Å; R195-F200 HydrophobicContact CG-CE1 4.01Å
196	C	86.1	Confident	91.3	Very high	15 Å²	15	55.1 Å²	55.1	10%	0.101	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	169.4	172.4	-57.9	0	0	0	0	110.4	C30 G198 G199 R201	C30-C196 WeakPolarHBondContact CA-SG 3.38Å; C30-C196 HydrophobicContact CB-CB 3.61Å; C30-C196 WeakPolarHBondContact CB-SG 3.32Å; C30-C196 WeakPolarHBondContact SG-CA 3.3Å; C30-C196 WeakPolarHBondContact SG-CB 3.43Å; C30-C196 CovalentContact SG-SG 2.03Å; C30-C196 PolarHBondContact SG-SG 2.88Å; C196-G198 PolarHBondContact O-N 3Å; C196-G199 CarbonylContact C-O 3.6Å; C196-G199 WeakPolarHBondContact CA-O 3.33Å; C196-G199 WeakPolarHBondContact CB-O 3.39Å; C196-G199 PolarHBondContact N-O 3.33Å; C196-G199 PolarHBondContact O-N 2.81Å; C196-G199 VanDerWaalsContact O-N 3.15Å; C196-G199 VanDerWaalsContact O-O 3.09Å; C196-R201 HydrophobicContact CB-CG 4.34Å; C196-R201 WeakPolarHBondContact SG-CG 3.38Å
197	E	82.2	Confident	91.3	Very high	179 Å²	179	55.1 Å²	55.1	84%	0.836	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.7	179.6	-76.2	170.8	-165	0	0	113.1	C26	C26-E197 VanDerWaalsContact SG-CD 3.56Å; C26-E197 PolarHBondContact SG-OE1 2.83Å
198	G	80.3	Confident	91.3	Very high	84 Å²	84	53.1 Å²	53.1	87%	0.866	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	12.8	178.7	0	0	0	0	0	115.8	C196	C196-G198 PolarHBondContact O-N 3Å
199	G	85.6	Confident	91.3	Very high	33 Å²	33	54.3 Å²	54.3	34%	0.34	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	115.3	-154.1	-176.1	0	0	0	0	0	112.8	C196	C196-G199 CarbonylContact C-O 3.6Å; C196-G199 WeakPolarHBondContact CA-O 3.33Å; C196-G199 WeakPolarHBondContact CB-O 3.39Å; C196-G199 PolarHBondContact N-O 3.33Å; C196-G199 PolarHBondContact O-N 2.81Å; C196-G199 VanDerWaalsContact O-N 3.15Å; C196-G199 VanDerWaalsContact O-O 3.09Å
200	F	85.9	Confident	91.2	Very high	104 Å²	104	56.5 Å²	56.5	46%	0.456	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	142.7	-178.4	-65.3	-71.7	0	0	0	111.9	Y116 I194 R195	Y116-F200 HydrophobicContact CD1-CD1 4.29Å; Y116-F200 AromaticContact CD1-CE1 3.28Å; Y116-F200 HydrophobicContact CD1-CE1 3.28Å; Y116-F200 AromaticContact CD1-CZ 3.49Å; Y116-F200 HydrophobicContact CD1-CZ 3.49Å; Y116-F200 VanDerWaalsContact CD1-CZ 3.49Å; Y116-F200 HydrophobicContact CD2-CE1 4.16Å; Y116-F200 HydrophobicContact CE1-CD1 4.36Å; Y116-F200 AromaticContact CE1-CE1 3.09Å; Y116-F200 HydrophobicContact CE1-CE1 3.09Å; Y116-F200 AromaticContact CE1-CZ 3.18Å; Y116-F200 HydrophobicContact CE1-CZ 3.18Å; Y116-F200 AromaticContact CE2-CE1 3.95Å; Y116-F200 HydrophobicContact CE2-CE1 3.95Å; Y116-F200 AromaticContact CG-CE1 3.86Å; Y116-F200 HydrophobicContact CG-CE1 3.86Å; Y116-F200 HydrophobicContact CG-CZ 4.48Å; Y116-F200 AromaticContact CZ-CE1 3.44Å; Y116-F200 VanDerWaalsContact CZ-CE1 3.44Å; Y116-F200 AromaticContact CZ-CZ 3.91Å; I194-F200 CarbonylContact O-C 3.6Å; I194-F200 WeakPolarHBondContact O-CA 3.13Å; R195-F200 HydrophobicContact CB-CD1 4.43Å; R195-F200 HydrophobicContact CB-CE1 4.02Å; R195-F200 HydrophobicContact CG-CE1 4.01Å
201	R	88	Confident	91.2	Very high	118 Å²	118	56.8 Å²	56.8	45%	0.445	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.3	163.2	-59.6	-64.5	-170.1	-174.8	0.4	108.5	L36 I194 C196	L36-R201 HydrophobicContact CD1-CB 4.37Å; L36-R201 HydrophobicContact CD2-CB 3.86Å; I194-R201 PolarHBondContact N-O 3.09Å; I194-R201 PolarHBondContact O-N 3.28Å; C196-R201 HydrophobicContact CB-CG 4.34Å; C196-R201 WeakPolarHBondContact SG-CG 3.38Å
202	E	90.7	Very high	91.3	Very high	91 Å²	91	56.3 Å²	56.3	43%	0.425	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.2	174.9	-58.4	-167.1	142.6	0	0	108.2	L191 G192 R193	L191-E202 HydrophobicContact CD1-CB 4.38Å; L191-E202 HydrophobicContact CD2-CB 4.41Å; L191-E202 HydrophobicContact CD2-CG 4.43Å; L191-E202 HydrophobicContact CG-CB 4.37Å; G192-E202 WeakPolarHBondContact O-CA 3.32Å; R193-E202 HydrophobicContact CG-CG 4.24Å; R193-E202 IonicContact CZ-OE1 2.91Å; R193-E202 IonicContact NE-OE1 3.33Å; R193-E202 PolarHBondContact NE-OE1 2.85Å; R193-E202 IonicContact NH2-OE1 3.38Å; R193-E202 PolarHBondContact NH2-OE1 3.33Å
203	H	92.4	Very high	91.5	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.3	171.4	178.6	-85.8	0	0	0	107.5	I29 L36 Y92 L191 G192 I194 I205	I29-H203 HydrophobicContact CD1-CB 4.48Å; L36-H203 HydrophobicContact CD2-CB 4.36Å; L36-H203 PolarHBondContact O-CD2 3.02Å; L36-H203 VanDerWaalsContact O-CD2 3.23Å; Y92-H203 HydrophobicContact CE1-CB 3.92Å; Y92-H203 AromaticContact CE1-CG 3.89Å; Y92-H203 AromaticContact CE1-ND1 3.32Å; Y92-H203 VanDerWaalsContact CE1-ND1 3.32Å; Y92-H203 WeakPolarHBondContact CE1-ND1 3.48Å; Y92-H203 AromaticContact CZ-ND1 3.61Å; Y92-H203 PolarHBondContact OH-ND1 3.17Å; Y92-H203 PolarHBondContact OH-O 3.26Å; Y92-H203 VanDerWaalsContact OH-O 3.06Å; L191-H203 WeakPolarHBondContact CA-O 3.49Å; G192-H203 PolarHBondContact N-O 2.89Å; G192-H203 PolarHBondContact O-N 2.68Å; I194-H203 HydrophobicContact CD1-CB 3.81Å; H203-I205 VanDerWaalsContact CE1-CG1 3.42Å; H203-I205 WeakPolarHBondContact CE1-CG1 3.36Å
204	V	95	Very high	91.9	Very high	47 Å²	47	59 Å²	59	29%	0.285	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.6	-174.9	-177.4	0	0	0	0	108.7	K189 I190 L191	K189-V204 HydrophobicContact CB-CG1 4.18Å; K189-V204 HydrophobicContact CD-CG1 3.87Å; K189-V204 HydrophobicContact CG-CG1 4.48Å; I190-V204 WeakPolarHBondContact O-CA 3.49Å; L191-V204 HydrophobicContact CB-CG2 4.38Å; L191-V204 HydrophobicContact CD1-CG2 3.79Å; L191-V204 HydrophobicContact CG-CG2 3.96Å
205	I	96.9	Very high	92.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	101.7	169.7	-53.4	164.3	0	0	0	107.5	H53 Y56 K189 I190 H203 Y220	H53-I205 HydrophobicContact CB-CD1 3.71Å; H53-I205 HydrophobicContact CB-CG1 3.99Å; Y56-I205 HydrophobicContact CD2-CD1 3.92Å; Y56-I205 HydrophobicContact CG-CD1 4.19Å; K189-I205 VanDerWaalsContact CA-O 3.3Å; K189-I205 WeakPolarHBondContact CA-O 3.38Å; I190-I205 HydrophobicContact CD1-CB 4.43Å; I190-I205 HydrophobicContact CD1-CD1 3.85Å; I190-I205 HydrophobicContact CG1-CB 3.8Å; I190-I205 HydrophobicContact CG1-CD1 4.09Å; I190-I205 HydrophobicContact CG1-CG1 4.33Å; I190-I205 PolarHBondContact N-O 3.29Å; I190-I205 PolarHBondContact O-N 3.49Å; H203-I205 VanDerWaalsContact CE1-CG1 3.42Å; H203-I205 WeakPolarHBondContact CE1-CG1 3.36Å; I205-Y220 HydrophobicContact CB-CE1 4.16Å; I205-Y220 HydrophobicContact CG2-CD1 4.44Å; I205-Y220 HydrophobicContact CG2-CE1 3.63Å; I205-Y220 PolarHBondContact O-OH 3.48Å
206	P	97.2	Very high	93	Very high	70 Å²	70	51.4 Å²	51.4	46%	0.455	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	147.2	176	33.9	-32.8	0	0	0	111.5	K189	K189-P206 HydrophobicContact CB-CB 4.31Å
207	V	98.1	Very high	93.6	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.042	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-75.2	124.5	160.6	-174.5	0	0	0	0	107.4	I60 F172 S188 A209 W211 I212 V218 Y220	I60-V207 HydrophobicContact CD1-CG1 4.29Å; F172-V207 HydrophobicContact CD2-CG2 3.87Å; F172-V207 HydrophobicContact CE2-CG2 4.17Å; S188-V207 PolarHBondContact O-N 3.32Å; V207-A209 PolarHBondContact O-N 3.48Å; V207-W211 HydrophobicContact CG1-CB 4.15Å; V207-I212 HydrophobicContact CB-CD1 4.29Å; V207-I212 HydrophobicContact CB-CG1 4.25Å; V207-I212 HydrophobicContact CG1-CD1 4.4Å; V207-I212 HydrophobicContact CG1-CG1 3.82Å; V207-V218 HydrophobicContact CG1-CG2 3.9Å; V207-V218 HydrophobicContact CG2-CB 4.44Å; V207-V218 HydrophobicContact CG2-CG1 3.91Å; V207-V218 HydrophobicContact CG2-CG2 4.12Å; V207-Y220 WeakPolarHBondContact CG2-OH 3.36Å
208	P	97	Very high	94.4	Very high	34 Å²	34	43 Å²	43	22%	0.221	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-63.7	128.7	176.5	-12.1	23.4	0	0	0	109.6	K210 W211	P208-K210 HydrophobicContact CB-CG 4.48Å; P208-K210 PolarHBondContact O-N 2.94Å; P208-W211 WeakPolarHBondContact O-CB 3.01Å; P208-W211 PolarHBondContact O-N 3.35Å
209	A	96.7	Very high	95.2	Very high	29 Å²	29	40.2 Å²	40.2	24%	0.24	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-54.4	-31.3	-168.8	0	0	0	0	0	114.6	Q183 V207 W211 I212	Q183-A209 HydrophobicContact CB-CB 4.02Å; Q183-A209 WeakPolarHBondContact O-CB 3.22Å; V207-A209 PolarHBondContact O-N 3.48Å; A209-W211 PolarHBondContact O-N 3.43Å; A209-I212 PolarHBondContact O-N 3.23Å
210	K	95.8	Very high	95.7	Very high	104 Å²	104	38.6 Å²	38.6	45%	0.452	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-56.6	-22.1	174.3	72.1	176.1	-171.3	171	0	114.4	E44 P208	E44-K210 IonicContact OE1-NZ 3.72Å; E44-K210 PolarHBondContact OE1-NZ 3.08Å; P208-K210 HydrophobicContact CB-CG 4.48Å; P208-K210 PolarHBondContact O-N 2.94Å
211	W	97.3	Very high	96.1	Very high	6 Å²	6	34.6 Å²	34.6	2%	0.023	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-92.1	-11.5	178	-67.5	98.3	0	0	0	113.2	E44 S45 R49 I60 H62 V207 P208 A209 K213 T216	E44-W211 HydrophobicContact CG-CZ2 4.06Å; S45-W211 VanDerWaalsContact O-CH2 3.25Å; S45-W211 WeakPolarHBondContact O-CH2 3.48Å; R49-W211 HydrophobicContact CB-CH2 3.81Å; R49-W211 HydrophobicContact CB-CZ2 3.57Å; R49-W211 HydrophobicContact CB-CZ3 4.43Å; R49-W211 HydrophobicContact CG-CZ2 4.41Å; I60-W211 HydrophobicContact CB-CD2 4.27Å; I60-W211 HydrophobicContact CB-CE3 3.94Å; I60-W211 HydrophobicContact CB-CZ3 4.4Å; I60-W211 HydrophobicContact CD1-CB 4.01Å; I60-W211 HydrophobicContact CD1-CD2 4Å; I60-W211 HydrophobicContact CD1-CG 3.71Å; I60-W211 HydrophobicContact CG2-CB 4.02Å; I60-W211 HydrophobicContact CG2-CD2 3.77Å; I60-W211 HydrophobicContact CG2-CE3 3.25Å; I60-W211 HydrophobicContact CG2-CG 4.08Å; I60-W211 HydrophobicContact CG2-CZ3 4.01Å; H62-W211 AromaticContact CD2-CE3 3.82Å; H62-W211 AromaticContact CD2-CZ3 3.58Å; H62-W211 AromaticContact CE1-CE3 3.21Å; H62-W211 AromaticContact CE1-CZ3 3.8Å; H62-W211 AromaticContact ND1-CE3 4Å; H62-W211 AromaticContact NE2-CD2 3.97Å; H62-W211 AromaticContact NE2-CE3 3.07Å; H62-W211 AromaticContact NE2-CZ3 3.29Å; H62-W211 VanDerWaalsContact NE2-CZ3 3.29Å; H62-W211 WeakPolarHBondContact NE2-CZ3 3.33Å; V207-W211 HydrophobicContact CG1-CB 4.15Å; P208-W211 WeakPolarHBondContact O-CB 3.01Å; P208-W211 PolarHBondContact O-N 3.35Å; A209-W211 PolarHBondContact O-N 3.43Å; W211-K213 PolarHBondContact O-N 2.74Å; W211-T216 WeakPolarHBondContact O-CG2 3.36Å; W211-T216 PolarHBondContact O-OG1 2.91Å
212	I	97.9	Very high	96.3	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	17%	0.17	C	C	.	.			trans	-83.7	83.1	-179	-52.8	177.3	0	0	0	108.7	M160 Y174 I177 L186 V207 A209	M160-I212 HydrophobicContact CE-CG2 3.94Å; Y174-I212 HydrophobicContact CD1-CG2 3.89Å; Y174-I212 HydrophobicContact CD2-CB 4.43Å; Y174-I212 HydrophobicContact CD2-CG2 4Å; Y174-I212 HydrophobicContact CE1-CG2 3.74Å; Y174-I212 HydrophobicContact CE2-CB 4.07Å; Y174-I212 HydrophobicContact CE2-CG1 4.06Å; Y174-I212 HydrophobicContact CE2-CG2 3.91Å; Y174-I212 HydrophobicContact CG-CG2 4.04Å; I177-I212 HydrophobicContact CD1-CG2 4.38Å; I177-I212 HydrophobicContact CG1-CG2 4.44Å; L186-I212 HydrophobicContact CB-CB 4.14Å; L186-I212 HydrophobicContact CB-CD1 3.86Å; L186-I212 HydrophobicContact CB-CG2 4Å; L186-I212 HydrophobicContact CD1-CB 3.91Å; L186-I212 HydrophobicContact CD1-CG2 3.91Å; L186-I212 WeakPolarHBondContact CD1-O 3.44Å; L186-I212 HydrophobicContact CD2-CG2 4.21Å; L186-I212 HydrophobicContact CG-CG2 4.26Å; V207-I212 HydrophobicContact CB-CD1 4.29Å; V207-I212 HydrophobicContact CB-CG1 4.25Å; V207-I212 HydrophobicContact CG1-CD1 4.4Å; V207-I212 HydrophobicContact CG1-CG1 3.82Å; A209-I212 PolarHBondContact O-N 3.23Å
213	K	97.1	Very high	96.2	Very high	93 Å²	93	26.8 Å²	26.8	40%	0.404	15%	0.154	S	C	.	.	S	Bend	trans	-142.2	160	175.8	63.3	176.6	169.9	-173.5	0	111.3	H62 W211 G215 T216	H62-K213 WeakPolarHBondContact CD2-CE 3.29Å; H62-K213 PolarHBondContact CD2-NZ 2.93Å; H62-K213 VanDerWaalsContact CD2-NZ 3.28Å; H62-K213 WeakPolarHBondContact CE1-CE 3.25Å; H62-K213 VanDerWaalsContact ND1-CE 3.29Å; H62-K213 WeakPolarHBondContact ND1-CE 3.29Å; H62-K213 WeakPolarHBondContact NE2-CE 3.35Å; H62-K213 PolarHBondContact NE2-NZ 3Å; H62-K213 VanDerWaalsContact NE2-NZ 3.19Å; W211-K213 PolarHBondContact O-N 2.74Å; K213-G215 PolarHBondContact O-N 3.33Å; K213-T216 WeakPolarHBondContact CG-OG1 3.33Å; K213-T216 VanDerWaalsContact O-CB 3.3Å; K213-T216 WeakPolarHBondContact O-CB 3.5Å; K213-T216 PolarHBondContact O-N 2.94Å; K213-T216 PolarHBondContact O-OG1 3.09Å
214	S	97.9	Very high	96	Very high	46 Å²	46	28 Å²	28	32%	0.322	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	135.3	178.6	-52.5	0	0	0	0	112.8	Y174 I177 T216	Y174-S214 CarbonylContact O-C 3.54Å; Y174-S214 WeakPolarHBondContact O-CA 3.49Å; I177-S214 PolarHBondContact N-OG 3.46Å; I177-S214 PolarHBondContact O-OG 2.92Å; S214-T216 VanDerWaalsContact C-N 3.31Å; S214-T216 PolarHBondContact O-N 2.89Å
215	G	97.6	Very high	95.5	Very high	12 Å²	12	32.5 Å²	32.5	12%	0.124	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	17.6	178.8	0	0	0	0	0	114.5	H62 N63 Q64 Y174 K213	H62-G215 CarbonylContact C-O 3.55Å; N63-G215 WeakPolarHBondContact CA-O 3.3Å; N63-G215 PolarHBondContact N-O 3.47Å; Q64-G215 PolarHBondContact N-O 3.16Å; Y174-G215 PolarHBondContact O-N 3.14Å; K213-G215 PolarHBondContact O-N 3.33Å
216	T	98.5	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.8	174.6	-46.2	0	0	0	0	111	I60 Q61 H62 Y173 Y174 W211 K213 S214	I60-T216 HydrophobicContact CG2-CG2 3.45Å; I60-T216 VanDerWaalsContact CG2-CG2 3.45Å; Q61-T216 WeakPolarHBondContact O-CA 3.26Å; Q61-T216 WeakPolarHBondContact O-CG2 3.47Å; H62-T216 PolarHBondContact CE1-OG1 3.44Å; H62-T216 VanDerWaalsContact CE1-OG1 3.26Å; H62-T216 WeakPolarHBondContact ND1-CB 3.34Å; H62-T216 WeakPolarHBondContact ND1-CG2 3.38Å; H62-T216 PolarHBondContact ND1-OG1 2.86Å; Y173-T216 WeakPolarHBondContact CA-O 3.36Å; Y174-T216 PolarHBondContact N-O 2.91Å; Y174-T216 VanDerWaalsContact N-O 3.1Å; W211-T216 WeakPolarHBondContact O-CG2 3.36Å; W211-T216 PolarHBondContact O-OG1 2.91Å; K213-T216 WeakPolarHBondContact CG-OG1 3.33Å; K213-T216 VanDerWaalsContact O-CB 3.3Å; K213-T216 WeakPolarHBondContact O-CB 3.5Å; K213-T216 PolarHBondContact O-N 2.94Å; K213-T216 PolarHBondContact O-OG1 3.09Å; S214-T216 VanDerWaalsContact C-N 3.31Å; S214-T216 PolarHBondContact O-N 2.89Å
217	L	98.3	Very high	94.7	Very high	17 Å²	17	33.7 Å²	33.7	9%	0.089	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.1	170.6	-177.4	65.2	0	0	0	109.3	I60 Q61 Q64 P67 F172 Y173 E219	I60-L217 WeakPolarHBondContact CA-O 3.47Å; Q61-L217 PolarHBondContact N-O 2.81Å; Q61-L217 PolarHBondContact O-N 3.08Å; Q64-L217 HydrophobicContact CB-CB 3.96Å; Q64-L217 HydrophobicContact CG-CB 3.8Å; P67-L217 HydrophobicContact CG-CD1 4.33Å; F172-L217 CarbonylContact O-C 3.47Å; F172-L217 WeakPolarHBondContact O-CA 3.2Å; Y173-L217 HydrophobicContact CD2-CB 4.24Å; Y173-L217 HydrophobicContact CD2-CD1 4.27Å; L217-E219 HydrophobicContact CD1-CG 4.46Å; L217-E219 HydrophobicContact CD2-CG 4.04Å; L217-E219 HydrophobicContact CG-CG 3.91Å
218	V	98.5	Very high	94.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.9	170.8	-177.7	0	0	0	0	108.1	M58 R59 I60 S171 F172 Y174 V207 Y220	M58-V218 HydrophobicContact CG-CG1 3.9Å; M58-V218 HydrophobicContact SD-CG1 4.08Å; R59-V218 CarbonylContact O-C 3.52Å; R59-V218 WeakPolarHBondContact O-CA 3.32Å; I60-V218 HydrophobicContact CG1-CG1 4.19Å; I60-V218 HydrophobicContact CG1-CG2 4.19Å; I60-V218 HydrophobicContact CG2-CG2 4.11Å; S171-V218 CarbonylContact C-O 3.49Å; S171-V218 WeakPolarHBondContact CA-O 3.48Å; S171-V218 WeakPolarHBondContact CB-O 3.23Å; F172-V218 HydrophobicContact CB-CB 4.22Å; F172-V218 PolarHBondContact N-O 3.42Å; F172-V218 PolarHBondContact O-N 3.46Å; Y174-V218 HydrophobicContact CE2-CG2 3.98Å; V207-V218 HydrophobicContact CG1-CG2 3.9Å; V207-V218 HydrophobicContact CG2-CB 4.44Å; V207-V218 HydrophobicContact CG2-CG1 3.91Å; V207-V218 HydrophobicContact CG2-CG2 4.12Å; V218-Y220 HydrophobicContact CG1-CD2 4.39Å; V218-Y220 HydrophobicContact CG1-CE2 3.81Å
219	E	97.4	Very high	93.8	Very high	26 Å²	26	37.5 Å²	37.5	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.7	-179.7	-56.2	175.6	120.2	0	0	109.9	M58 R59 M169 L217	M58-E219 CarbonylContact C-O 3.58Å; M58-E219 VanDerWaalsContact CA-O 3.32Å; M58-E219 WeakPolarHBondContact CA-O 3.38Å; R59-E219 HydrophobicContact CB-CB 4.4Å; R59-E219 PolarHBondContact N-O 3.09Å; R59-E219 IonicContact NH1-OE2 3.79Å; R59-E219 PolarHBondContact NH1-OE2 2.71Å; R59-E219 PolarHBondContact O-N 2.77Å; M169-E219 HydrophobicContact CG-CB 4.48Å; M169-E219 HydrophobicContact SD-CB 4.28Å; M169-E219 HydrophobicContact SD-CG 4.3Å; L217-E219 HydrophobicContact CD1-CG 4.46Å; L217-E219 HydrophobicContact CD2-CG 4.04Å; L217-E219 HydrophobicContact CG-CG 3.91Å
220	Y	96.6	Very high	93.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.2	168.2	-61.6	-81.9	0	0	0	109.2	S57 M58 M169 L170 F172 I190 I205 V207 V218	S57-Y220 WeakPolarHBondContact O-CA 3.35Å; M58-Y220 HydrophobicContact CB-CD1 4.1Å; M58-Y220 HydrophobicContact CB-CE1 4.04Å; M58-Y220 HydrophobicContact CG-CD1 4.22Å; M58-Y220 HydrophobicContact CG-CE1 3.84Å; M58-Y220 HydrophobicContact SD-CE1 3.76Å; M169-Y220 WeakPolarHBondContact CA-O 3.34Å; L170-Y220 HydrophobicContact CD2-CD2 4.33Å; L170-Y220 HydrophobicContact CG-CD2 4.23Å; L170-Y220 PolarHBondContact N-O 3.39Å; L170-Y220 PolarHBondContact O-N 2.74Å; F172-Y220 AromaticContact CD2-CE2 3.88Å; F172-Y220 HydrophobicContact CD2-CE2 3.88Å; F172-Y220 AromaticContact CE2-CE2 3.65Å; F172-Y220 HydrophobicContact CE2-CE2 3.65Å; F172-Y220 HydrophobicContact CZ-CE2 4.33Å; I190-Y220 HydrophobicContact CD1-CD1 3.57Å; I190-Y220 HydrophobicContact CD1-CD2 4.4Å; I190-Y220 HydrophobicContact CD1-CE1 3.98Å; I190-Y220 HydrophobicContact CD1-CG 3.79Å; I190-Y220 HydrophobicContact CG1-CD1 4.11Å; I190-Y220 HydrophobicContact CG1-CE1 3.99Å; I190-Y220 HydrophobicContact CG1-CG 4.47Å; I190-Y220 HydrophobicContact CG2-CD2 4.05Å; I190-Y220 HydrophobicContact CG2-CE2 3.87Å; I205-Y220 HydrophobicContact CB-CE1 4.16Å; I205-Y220 HydrophobicContact CG2-CD1 4.44Å; I205-Y220 HydrophobicContact CG2-CE1 3.63Å; I205-Y220 PolarHBondContact O-OH 3.48Å; V207-Y220 WeakPolarHBondContact CG2-OH 3.36Å; V218-Y220 HydrophobicContact CG1-CD2 4.39Å; V218-Y220 HydrophobicContact CG1-CE2 3.81Å
221	E	93.6	Very high	93.3	Very high	20 Å²	20	43.1 Å²	43.1	9%	0.093	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.4	173.3	-167.5	-178.5	158.1	0	0	109.2	Y56 S57 I223 T263 K267	Y56-E221 CarbonylContact C-O 3.54Å; Y56-E221 VanDerWaalsContact CA-O 3.26Å; Y56-E221 WeakPolarHBondContact CA-O 3.33Å; S57-E221 PolarHBondContact N-O 3.37Å; S57-E221 PolarHBondContact O-N 2.87Å; S57-E221 PolarHBondContact OG-O 3.14Å; E221-I223 PolarHBondContact O-N 3.29Å; E221-T263 PolarHBondContact OE1-OG1 2.96Å; E221-T263 PolarHBondContact OE2-OG1 2.86Å; E221-K267 VanDerWaalsContact CD-CE 3.45Å; E221-K267 WeakPolarHBondContact OE1-CE 3.46Å; E221-K267 IonicContact OE1-NZ 2.82Å; E221-K267 PolarHBondContact OE1-NZ 2.85Å; E221-K267 WeakPolarHBondContact OE2-CE 3.48Å; E221-K267 IonicContact OE2-NZ 2.77Å; E221-K267 PolarHBondContact OE2-NZ 2.82Å; E221-K267 VanDerWaalsContact OE2-NZ 3.14Å
222	A	91.8	Very high	93	Very high	28 Å²	28	46.1 Å²	46.1	23%	0.231	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	130.3	179.5	0	0	0	0	0	110.6	Y56	Y56-A222 HydrophobicContact CD1-CB 4.24Å; Y56-A222 HydrophobicContact CE1-CB 3.94Å
223	I	89.8	Confident	92.8	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.087	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-82.6	128.6	171.1	-61.2	171.9	0	0	0	107.1	L52 H53 Y55 Y56 E221 S228 I256	L52-I223 HydrophobicContact CD2-CD1 4.15Å; H53-I223 WeakPolarHBondContact O-CD1 3.44Å; Y55-I223 PolarHBondContact O-N 3.28Å; Y56-I223 VanDerWaalsContact C-CD1 3.45Å; Y56-I223 WeakPolarHBondContact O-CD1 3.43Å; E221-I223 PolarHBondContact O-N 3.29Å; I223-S228 WeakPolarHBondContact CG2-OG 3.24Å; I223-I256 HydrophobicContact CG2-CG2 4.3Å
224	G	86.6	Confident	92.6	Very high	25 Å²	25	49.9 Å²	49.9	26%	0.258	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-77.1	166.7	175.7	0	0	0	0	0	112.2	S228 E257	G224-S228 WeakPolarHBondContact O-CB 3.49Å; G224-S228 PolarHBondContact O-OG 3.08Å; G224-E257 WeakPolarHBondContact CA-OE1 3.29Å; G224-E257 WeakPolarHBondContact CA-OE2 3.44Å; G224-E257 PolarHBondContact N-OE2 2.66Å
225	E	84.2	Confident	92.4	Very high	143 Å²	143	50.4 Å²	50.4	67%	0.668	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-16.9	-174.9	-61.8	-180	169.5	0	0	112.9	E257	E225-E257 PolarHBondContact N-OE1 2.91Å
226	I	86.6	Confident	92.3	Very high	94 Å²	94	49.9 Å²	49.9	48%	0.482	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-50	-168.8	-52.5	174.5	0	0	0	110.2	S228 Q229 Y230 M244 E257	I226-S228 VanDerWaalsContact C-N 3.31Å; I226-Q229 VanDerWaalsContact O-CD 3.31Å; I226-Q229 WeakPolarHBondContact O-CG 3.09Å; I226-Q229 PolarHBondContact O-NE2 2.98Å; I226-Y230 VanDerWaalsContact O-CE2 3.27Å; I226-Y230 WeakPolarHBondContact O-CE2 3.49Å; I226-M244 HydrophobicContact CB-CE 4.14Å; I226-M244 HydrophobicContact CB-SD 3.49Å; I226-M244 WeakPolarHBondContact CB-SD 3.34Å; I226-M244 HydrophobicContact CD1-SD 3.82Å; I226-M244 HydrophobicContact CG1-SD 4.22Å; I226-M244 HydrophobicContact CG2-CE 3.45Å; I226-M244 VanDerWaalsContact CG2-CE 3.45Å; I226-M244 HydrophobicContact CG2-SD 3.5Å; I226-M244 WeakPolarHBondContact CG2-SD 3.22Å; I226-E257 PolarHBondContact N-OE1 2.88Å
227	C	91.4	Very high	91.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-69.3	-35.1	175.3	-64.2	0	0	0	0	110.5	Q229 Y230 C246 C255 E257	C227-Q229 PolarHBondContact O-N 3.42Å; C227-Y230 VanDerWaalsContact O-CD2 3.32Å; C227-Y230 WeakPolarHBondContact O-CD2 3.45Å; C227-Y230 PolarHBondContact O-N 2.68Å; C227-C246 HydrophobicContact CB-CB 3.86Å; C227-C246 WeakPolarHBondContact CB-SG 3.47Å; C227-C246 WeakPolarHBondContact SG-CA 3.44Å; C227-C246 WeakPolarHBondContact SG-CB 3.39Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 2.55Å; C227-C255 WeakPolarHBondContact O-CB 3.31Å; C227-C255 PolarHBondContact O-SG 3.23Å; C227-C255 VanDerWaalsContact O-SG 3.35Å; C227-E257 HydrophobicContact CB-CG 4.02Å; C227-E257 PolarHBondContact N-OE1 3.28Å; C227-E257 VanDerWaalsContact SG-CG 3.56Å
228	S	88.7	Confident	91.7	Very high	34 Å²	34	60.3 Å²	60.3	24%	0.238	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-59.1	-17.2	-179.6	-67	0	0	0	0	114.5	I223 G224 I226 Y230 C255	I223-S228 WeakPolarHBondContact CG2-OG 3.24Å; G224-S228 WeakPolarHBondContact O-CB 3.49Å; G224-S228 PolarHBondContact O-OG 3.08Å; I226-S228 VanDerWaalsContact C-N 3.31Å; S228-Y230 VanDerWaalsContact C-N 3.31Å; S228-C255 WeakPolarHBondContact CA-O 3.33Å
229	Q	88.1	Confident	91.4	Very high	88 Å²	88	60.9 Å²	60.9	41%	0.411	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-78	-11.1	176.8	84.8	-165.2	-27.7	0	0	114.1	I226 C227 Y231	I226-Q229 VanDerWaalsContact O-CD 3.31Å; I226-Q229 WeakPolarHBondContact O-CG 3.09Å; I226-Q229 PolarHBondContact O-NE2 2.98Å; C227-Q229 PolarHBondContact O-N 3.42Å; Q229-Y231 VanDerWaalsContact O-CD2 3.29Å; Q229-Y231 WeakPolarHBondContact O-CD2 3.45Å; Q229-Y231 WeakPolarHBondContact O-CE2 3.37Å
230	Y	90.9	Very high	91	Very high	70 Å²	70	62.6 Å²	62.6	28%	0.275	32%	0.324	S	S	.	.			trans	-95.9	120.7	-178.6	-58.1	-73.8	0	0	0	110.9	I226 C227 S228 A239 C255	I226-Y230 VanDerWaalsContact O-CE2 3.27Å; I226-Y230 WeakPolarHBondContact O-CE2 3.49Å; C227-Y230 VanDerWaalsContact O-CD2 3.32Å; C227-Y230 WeakPolarHBondContact O-CD2 3.45Å; C227-Y230 PolarHBondContact O-N 2.68Å; S228-Y230 VanDerWaalsContact C-N 3.31Å; Y230-A239 HydrophobicContact CD1-CB 4.35Å; Y230-A239 HydrophobicContact CD2-CB 3.54Å; Y230-A239 HydrophobicContact CE1-CB 3.97Å; Y230-A239 HydrophobicContact CE2-CB 3.12Å; Y230-A239 HydrophobicContact CG-CB 4.16Å; Y230-C255 WeakPolarHBondContact O-CB 3.45Å
231	Y	89.9	Confident	90.7	Very high	181 Å²	181	66.4 Å²	66.4	71%	0.71	35%	0.348	S	S	*	.			trans	-100.1	2	-170.6	-56.5	-79.2	0	0	0	114.3	Q229 W248	Q229-Y231 VanDerWaalsContact O-CD2 3.29Å; Q229-Y231 WeakPolarHBondContact O-CD2 3.45Å; Q229-Y231 WeakPolarHBondContact O-CE2 3.37Å; Y231-W248 VanDerWaalsContact O-CH2 3.32Å; Y231-W248 WeakPolarHBondContact O-CH2 3.46Å
232	T	92.2	Very high	90.3	Very high	68 Å²	68	71 Å²	71	42%	0.417	38%	0.382	S	S	.	.	S	Bend	trans	-131.2	151.3	177.9	72.3	0	0	0	0	110.9	E234 T235 C236	T232-E234 VanDerWaalsContact C-N 3.26Å; T232-E234 PolarHBondContact O-N 2.83Å; T232-T235 PolarHBondContact N-OG1 2.74Å; T232-T235 PolarHBondContact O-N 2.86Å; T232-T235 PolarHBondContact O-OG1 2.95Å; T232-T235 VanDerWaalsContact O-OG1 3.09Å; T232-T235 WeakPolarHBondContact OG1-CB 3.47Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.47Å; T232-T235 PolarHBondContact OG1-N 3.47Å; T232-T235 PolarHBondContact OG1-OG1 2.74Å; T232-C236 WeakPolarHBondContact O-CB 3.34Å; T232-C236 PolarHBondContact O-N 2.99Å
233	S	93	Very high	89.9	Confident	39 Å²	39	76.4 Å²	76.4	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-55.6	-42.8	177.4	-175.2	0	0	0	0	112.3	C236 Q237 W248	S233-C236 PolarHBondContact O-N 2.85Å; S233-Q237 WeakPolarHBondContact O-CB 3.18Å; S233-Q237 VanDerWaalsContact O-CG 3.26Å; S233-Q237 WeakPolarHBondContact O-CG 3.38Å; S233-Q237 PolarHBondContact O-N 2.66Å; S233-Q237 PolarHBondContact OG-NE2 3.05Å; S233-W248 VanDerWaalsContact CA-CD2 3.47Å
234	E	93.1	Very high	90	Very high	139 Å²	139	76.5 Å²	76.5	65%	0.65	41%	0.407	S	S	*	.	H	α-helix	trans	-64.1	-50.4	-179.5	-176.4	-179	-173	0	0	111.5	T232 C236 Q237 N238	T232-E234 VanDerWaalsContact C-N 3.26Å; T232-E234 PolarHBondContact O-N 2.83Å; E234-C236 VanDerWaalsContact C-N 3.3Å; E234-C236 PolarHBondContact O-N 3.42Å; E234-Q237 PolarHBondContact O-N 2.76Å; E234-N238 WeakPolarHBondContact O-CB 3.5Å; E234-N238 PolarHBondContact O-N 3.14Å; E234-N238 PolarHBondContact O-ND2 3.27Å
235	T	94.7	Very high	90.3	Very high	58 Å²	58	77.5 Å²	77.5	36%	0.356	41%	0.409	S	S	.	.	H	α-helix	trans	-65.9	-35.5	179.6	56.2	0	0	0	0	112.1	T232 A239	T232-T235 PolarHBondContact N-OG1 2.74Å; T232-T235 PolarHBondContact O-N 2.86Å; T232-T235 PolarHBondContact O-OG1 2.95Å; T232-T235 VanDerWaalsContact O-OG1 3.09Å; T232-T235 WeakPolarHBondContact OG1-CB 3.47Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.47Å; T232-T235 PolarHBondContact OG1-N 3.47Å; T232-T235 PolarHBondContact OG1-OG1 2.74Å; T235-A239 WeakPolarHBondContact O-CB 3.04Å; T235-A239 PolarHBondContact O-N 3.01Å; T235-A239 VanDerWaalsContact O-N 3.15Å
236	C	94.5	Very high	90.7	Very high	0 Å²	0	71 Å²	71	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.1	-50.8	175.3	179.1	0	0	0	0	112.3	T232 S233 E234 N238 A239 C246 I247 W248 C255	T232-C236 WeakPolarHBondContact O-CB 3.34Å; T232-C236 PolarHBondContact O-N 2.99Å; S233-C236 PolarHBondContact O-N 2.85Å; E234-C236 VanDerWaalsContact C-N 3.3Å; E234-C236 PolarHBondContact O-N 3.42Å; C236-N238 VanDerWaalsContact C-N 3.34Å; C236-N238 PolarHBondContact O-N 2.91Å; C236-A239 WeakPolarHBondContact O-CB 3.33Å; C236-A239 PolarHBondContact O-N 3.48Å; C236-C246 WeakPolarHBondContact O-CB 3.48Å; C236-I247 PolarHBondContact SG-O 2.98Å; C236-W248 HydrophobicContact CB-CB 4.35Å; C236-W248 HydrophobicContact CB-CE3 3.71Å; C236-W248 HydrophobicContact CB-CZ3 4.45Å; C236-W248 PolarHBondContact SG-N 3.25Å; C236-C255 WeakPolarHBondContact CA-SG 3.25Å; C236-C255 HydrophobicContact CB-CB 3.58Å; C236-C255 WeakPolarHBondContact CB-SG 3.34Å; C236-C255 VanDerWaalsContact SG-CA 3.58Å; C236-C255 WeakPolarHBondContact SG-CB 3.37Å; C236-C255 CovalentContact SG-SG 2.02Å; C236-C255 PolarHBondContact SG-SG 3.38Å
237	Q	90.6	Very high	91	Very high	114 Å²	114	67.3 Å²	67.3	53%	0.533	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-41.3	-178.8	-72.4	173.2	1	0	0	111.3	S233 E234 A239 T240	S233-Q237 WeakPolarHBondContact O-CB 3.18Å; S233-Q237 VanDerWaalsContact O-CG 3.26Å; S233-Q237 WeakPolarHBondContact O-CG 3.38Å; S233-Q237 PolarHBondContact O-N 2.66Å; S233-Q237 PolarHBondContact OG-NE2 3.05Å; E234-Q237 PolarHBondContact O-N 2.76Å; Q237-A239 PolarHBondContact O-N 3.37Å; Q237-T240 PolarHBondContact O-N 3.38Å; Q237-T240 PolarHBondContact O-OG1 2.85Å
238	N	92.9	Very high	91.2	Very high	123 Å²	123	68.7 Å²	68.7	66%	0.658	37%	0.365	S	S	*	.	H	α-helix	trans	-70.2	-14.4	178.5	-68.6	-17.3	0	0	0	113.9	E234 C236 T240	E234-N238 WeakPolarHBondContact O-CB 3.5Å; E234-N238 PolarHBondContact O-N 3.14Å; E234-N238 PolarHBondContact O-ND2 3.27Å; C236-N238 VanDerWaalsContact C-N 3.34Å; C236-N238 PolarHBondContact O-N 2.91Å; N238-T240 VanDerWaalsContact C-N 3.28Å; N238-T240 PolarHBondContact O-N 2.94Å
239	A	92.2	Very high	91.4	Very high	11 Å²	11	67 Å²	67	9%	0.091	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.9	178	0	0	0	0	0	114.1	Y230 T235 C236 Q237 T241 C246	Y230-A239 HydrophobicContact CD1-CB 4.35Å; Y230-A239 HydrophobicContact CD2-CB 3.54Å; Y230-A239 HydrophobicContact CE1-CB 3.97Å; Y230-A239 HydrophobicContact CE2-CB 3.12Å; Y230-A239 HydrophobicContact CG-CB 4.16Å; T235-A239 WeakPolarHBondContact O-CB 3.04Å; T235-A239 PolarHBondContact O-N 3.01Å; T235-A239 VanDerWaalsContact O-N 3.15Å; C236-A239 WeakPolarHBondContact O-CB 3.33Å; C236-A239 PolarHBondContact O-N 3.48Å; Q237-A239 PolarHBondContact O-N 3.37Å; A239-T241 PolarHBondContact O-N 3.41Å; A239-C246 HydrophobicContact CB-CB 4.46Å
240	T	89.6	Confident	91.5	Very high	62 Å²	62	67.7 Å²	67.7	38%	0.38	36%	0.357	S	S	.	.			trans	-63.8	131.3	177.8	-65.5	0	0	0	0	110.7	Q237 N238 M244 T245 C246	Q237-T240 PolarHBondContact O-N 3.38Å; Q237-T240 PolarHBondContact O-OG1 2.85Å; N238-T240 VanDerWaalsContact C-N 3.28Å; N238-T240 PolarHBondContact O-N 2.94Å; T240-M244 CarbonylContact C-O 3.53Å; T240-M244 WeakPolarHBondContact CA-O 3.17Å; T240-T245 HydrophobicContact CG2-CG2 4.37Å; T240-C246 PolarHBondContact OG1-N 2.99Å; T240-C246 VanDerWaalsContact OG1-N 3.07Å; T240-C246 PolarHBondContact OG1-O 2.86Å
241	T	89.6	Confident	91.4	Very high	80 Å²	80	70 Å²	70	49%	0.491	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-125.9	175.2	178.3	65.8	0	0	0	0	110	A239 N243 M244	A239-T241 PolarHBondContact O-N 3.41Å; T241-N243 PolarHBondContact O-N 2.81Å; T241-N243 VanDerWaalsContact O-N 3.09Å; T241-M244 PolarHBondContact N-O 2.91Å; T241-M244 PolarHBondContact O-N 3.12Å; T241-M244 VanDerWaalsContact O-O 3.07Å; T241-M244 PolarHBondContact OG1-N 3.38Å
242	S	85	Confident	91.3	Very high	116 Å²	116	61.7 Å²	61.7	81%	0.811	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.5	177.1	63	0	0	0	0	114.2
243	N	85	Confident	91.2	Very high	142 Å²	142	66.4 Å²	66.4	76%	0.759	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-3.7	-174.2	-61.9	-6	0	0	0	112.8	T241	T241-N243 PolarHBondContact O-N 2.81Å; T241-N243 VanDerWaalsContact O-N 3.09Å
244	M	90.4	Very high	91.1	Very high	19 Å²	19	66.2 Å²	66.2	9%	0.094	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-152.6	123.5	-175.3	-179.3	-176.9	68.3	0	0	111.1	I226 T240 T241 E257 N259	I226-M244 HydrophobicContact CB-CE 4.14Å; I226-M244 HydrophobicContact CB-SD 3.49Å; I226-M244 WeakPolarHBondContact CB-SD 3.34Å; I226-M244 HydrophobicContact CD1-SD 3.82Å; I226-M244 HydrophobicContact CG1-SD 4.22Å; I226-M244 HydrophobicContact CG2-CE 3.45Å; I226-M244 VanDerWaalsContact CG2-CE 3.45Å; I226-M244 HydrophobicContact CG2-SD 3.5Å; I226-M244 WeakPolarHBondContact CG2-SD 3.22Å; T240-M244 CarbonylContact C-O 3.53Å; T240-M244 WeakPolarHBondContact CA-O 3.17Å; T241-M244 PolarHBondContact N-O 2.91Å; T241-M244 PolarHBondContact O-N 3.12Å; T241-M244 VanDerWaalsContact O-O 3.07Å; T241-M244 PolarHBondContact OG1-N 3.38Å; M244-E257 HydrophobicContact CG-CG 4.36Å; M244-E257 HydrophobicContact SD-CG 4.33Å; M244-N259 WeakPolarHBondContact CA-OD1 3.42Å
245	T	92.9	Very high	91.1	Very high	47 Å²	47	59.6 Å²	59.6	29%	0.288	32%	0.316	S	S	.	.			trans	-103.3	124.9	175.7	-56.5	0	0	0	0	109.6	T240 E257 S258 N259	T240-T245 HydrophobicContact CG2-CG2 4.37Å; T245-E257 CarbonylContact O-C 3.57Å; T245-E257 WeakPolarHBondContact O-CA 3.31Å; T245-S258 PolarHBondContact O-N 2.85Å; T245-N259 PolarHBondContact N-OD1 2.82Å
246	C	93.8	Very high	91	Very high	6 Å²	6	57 Å²	57	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.9	174.7	-65	0	0	0	0	110.4	C227 C236 A239 T240 I256	C227-C246 HydrophobicContact CB-CB 3.86Å; C227-C246 WeakPolarHBondContact CB-SG 3.47Å; C227-C246 WeakPolarHBondContact SG-CA 3.44Å; C227-C246 WeakPolarHBondContact SG-CB 3.39Å; C227-C246 CovalentContact SG-SG 2.03Å; C227-C246 PolarHBondContact SG-SG 2.55Å; C236-C246 WeakPolarHBondContact O-CB 3.48Å; A239-C246 HydrophobicContact CB-CB 4.46Å; T240-C246 PolarHBondContact OG1-N 2.99Å; T240-C246 VanDerWaalsContact OG1-N 3.07Å; T240-C246 PolarHBondContact OG1-O 2.86Å; C246-I256 WeakPolarHBondContact CA-O 3.14Å
247	I	93.3	Very high	90.9	Very high	16 Å²	16	57.6 Å²	57.6	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.8	177	-59.4	176.4	0	0	0	109.2	C236 C255 I256 S258 K267 V268 C271	C236-I247 PolarHBondContact SG-O 2.98Å; I247-C255 WeakPolarHBondContact O-CA 3.41Å; I247-I256 HydrophobicContact CB-CG1 4.36Å; I247-I256 PolarHBondContact N-O 2.82Å; I247-I256 PolarHBondContact O-N 2.9Å; I247-S258 VanDerWaalsContact CD1-OG 3.29Å; I247-S258 WeakPolarHBondContact CD1-OG 3.4Å; I247-K267 HydrophobicContact CD1-CB 4.15Å; I247-V268 HydrophobicContact CD1-CB 4.31Å; I247-V268 HydrophobicContact CD1-CG2 3.37Å; I247-V268 HydrophobicContact CG1-CG2 4.32Å; I247-C271 HydrophobicContact CG2-CB 3.97Å
248	W	94.1	Very high	91	Very high	29 Å²	29	52.3 Å²	52.3	11%	0.11	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.7	172.2	-175.7	-106	0	0	0	111.1	Y231 S233 C236 Q250 K253 C255	Y231-W248 VanDerWaalsContact O-CH2 3.32Å; Y231-W248 WeakPolarHBondContact O-CH2 3.46Å; S233-W248 VanDerWaalsContact CA-CD2 3.47Å; C236-W248 HydrophobicContact CB-CB 4.35Å; C236-W248 HydrophobicContact CB-CE3 3.71Å; C236-W248 HydrophobicContact CB-CZ3 4.45Å; C236-W248 PolarHBondContact SG-N 3.25Å; W248-Q250 VanDerWaalsContact CD1-OE1 3.31Å; W248-K253 WeakPolarHBondContact CH2-O 3.29Å; W248-K253 HydrophobicContact CZ2-CB 4.36Å; W248-C255 HydrophobicContact CE3-CB 3.95Å; W248-C255 HydrophobicContact CZ3-CB 4.17Å
249	C	93.1	Very high	90.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	104	174	-55	0	0	0	0	109.7	L52 K251 G252 K253 K254 I256 C271	L52-C249 HydrophobicContact CD1-CB 4.17Å; C249-K251 PolarHBondContact O-N 2.89Å; C249-G252 CarbonylContact O-C 3.51Å; C249-G252 WeakPolarHBondContact O-CA 3.29Å; C249-G252 PolarHBondContact O-N 3.36Å; C249-G252 VanDerWaalsContact O-N 3.1Å; C249-K253 PolarHBondContact O-N 3.35Å; C249-K254 PolarHBondContact N-O 3.2Å; C249-K254 PolarHBondContact O-N 3.11Å; C249-I256 WeakPolarHBondContact SG-CD1 3.43Å; C249-C271 HydrophobicContact CB-CB 3.68Å; C249-C271 WeakPolarHBondContact CB-SG 3.38Å; C249-C271 WeakPolarHBondContact SG-CB 3.47Å; C249-C271 CovalentContact SG-SG 2.04Å; C249-C271 PolarHBondContact SG-SG 3.1Å
250	Q	91.3	Very high	90.2	Very high	102 Å²	102	51.2 Å²	51.2	48%	0.477	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-49.2	-167.7	-176.1	64.5	7.5	0	0	112.7	W248 G252 K253 C271	W248-Q250 VanDerWaalsContact CD1-OE1 3.31Å; Q250-G252 VanDerWaalsContact C-N 3.31Å; Q250-K253 PolarHBondContact O-N 3.35Å; Q250-C271 PolarHBondContact N-O 2.81Å
251	K	89.1	Confident	90	Very high	119 Å²	119	52.2 Å²	52.2	52%	0.517	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-33.9	176.8	-171.8	177.8	167.6	-169.1	0	112	V41 I42 C249 K253	V41-K251 WeakPolarHBondContact O-CE 2.94Å; V41-K251 PolarHBondContact O-NZ 3.43Å; I42-K251 WeakPolarHBondContact O-CD 3.02Å; I42-K251 WeakPolarHBondContact O-CE 2.99Å; I42-K251 PolarHBondContact O-NZ 3.31Å; C249-K251 PolarHBondContact O-N 2.89Å; K251-K253 VanDerWaalsContact C-N 3.29Å; K251-K253 PolarHBondContact O-N 3.39Å
252	G	86.9	Confident	89.7	Confident	6 Å²	6	54.6 Å²	54.6	6%	0.062	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.1	176.1	0	0	0	0	0	114	N40 I42 C249 Q250 K254	N40-G252 WeakPolarHBondContact ND2-CA 3.48Å; N40-G252 PolarHBondContact ND2-O 3.27Å; I42-G252 VanDerWaalsContact CD1-CA 3.48Å; C249-G252 CarbonylContact O-C 3.51Å; C249-G252 WeakPolarHBondContact O-CA 3.29Å; C249-G252 PolarHBondContact O-N 3.36Å; C249-G252 VanDerWaalsContact O-N 3.1Å; Q250-G252 VanDerWaalsContact C-N 3.31Å; G252-K254 PolarHBondContact O-N 3.46Å
253	K	89.8	Confident	89.8	Confident	166 Å²	166	49.4 Å²	49.4	72%	0.722	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	38.2	-163.5	-60.9	-177.9	179	178.9	0	112.1	W248 C249 Q250 K251	W248-K253 WeakPolarHBondContact CH2-O 3.29Å; W248-K253 HydrophobicContact CZ2-CB 4.36Å; C249-K253 PolarHBondContact O-N 3.35Å; Q250-K253 PolarHBondContact O-N 3.35Å; K251-K253 VanDerWaalsContact C-N 3.29Å; K251-K253 PolarHBondContact O-N 3.39Å
254	K	91.3	Very high	89.9	Confident	35 Å²	35	46 Å²	46	15%	0.152	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.1	-174.4	-169.9	171.7	-179.6	-179.8	0	109.4	L52 H53 Y54 C249 G252 I256	L52-K254 HydrophobicContact CD1-CB 4.28Å; L52-K254 HydrophobicContact CD1-CD 4.38Å; H53-K254 PolarHBondContact O-NZ 3.45Å; Y54-K254 PolarHBondContact O-NZ 3.22Å; C249-K254 PolarHBondContact N-O 3.2Å; C249-K254 PolarHBondContact O-N 3.11Å; G252-K254 PolarHBondContact O-N 3.46Å; K254-I256 HydrophobicContact CG-CG2 4.34Å
255	C	93.5	Very high	89.8	Confident	1 Å²	1	47 Å²	47	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133	170	-171.1	0	0	0	0	109.3	C227 S228 Y230 C236 I247 W248	C227-C255 WeakPolarHBondContact O-CB 3.31Å; C227-C255 PolarHBondContact O-SG 3.23Å; C227-C255 VanDerWaalsContact O-SG 3.35Å; S228-C255 WeakPolarHBondContact CA-O 3.33Å; Y230-C255 WeakPolarHBondContact O-CB 3.45Å; C236-C255 WeakPolarHBondContact CA-SG 3.25Å; C236-C255 HydrophobicContact CB-CB 3.58Å; C236-C255 WeakPolarHBondContact CB-SG 3.34Å; C236-C255 VanDerWaalsContact SG-CA 3.58Å; C236-C255 WeakPolarHBondContact SG-CB 3.37Å; C236-C255 CovalentContact SG-SG 2.02Å; C236-C255 PolarHBondContact SG-SG 3.38Å; I247-C255 WeakPolarHBondContact O-CA 3.41Å; W248-C255 HydrophobicContact CE3-CB 3.95Å; W248-C255 HydrophobicContact CZ3-CB 4.17Å
256	I	93.1	Very high	89.7	Confident	2 Å²	2	48 Å²	48	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.6	-179	65.3	170.5	0	0	0	111.2	L52 I223 C246 I247 C249 K254 K267	L52-I256 HydrophobicContact CD1-CG2 4.21Å; L52-I256 HydrophobicContact CD2-CD1 4.49Å; L52-I256 HydrophobicContact CD2-CG2 4.29Å; I223-I256 HydrophobicContact CG2-CG2 4.3Å; C246-I256 WeakPolarHBondContact CA-O 3.14Å; I247-I256 HydrophobicContact CB-CG1 4.36Å; I247-I256 PolarHBondContact N-O 2.82Å; I247-I256 PolarHBondContact O-N 2.9Å; C249-I256 WeakPolarHBondContact SG-CD1 3.43Å; K254-I256 HydrophobicContact CG-CG2 4.34Å; I256-K267 HydrophobicContact CD1-CD 4.47Å
257	E	92.4	Very high	89.5	Confident	13 Å²	13	48 Å²	48	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	144.3	168.5	-67.9	75.9	180	0	0	111.3	G224 E225 I226 C227 M244 T245 K267	G224-E257 WeakPolarHBondContact CA-OE1 3.29Å; G224-E257 WeakPolarHBondContact CA-OE2 3.44Å; G224-E257 PolarHBondContact N-OE2 2.66Å; E225-E257 PolarHBondContact N-OE1 2.91Å; I226-E257 PolarHBondContact N-OE1 2.88Å; C227-E257 HydrophobicContact CB-CG 4.02Å; C227-E257 PolarHBondContact N-OE1 3.28Å; C227-E257 VanDerWaalsContact SG-CG 3.56Å; M244-E257 HydrophobicContact CG-CG 4.36Å; M244-E257 HydrophobicContact SD-CG 4.33Å; T245-E257 CarbonylContact O-C 3.57Å; T245-E257 WeakPolarHBondContact O-CA 3.31Å; E257-K267 PolarHBondContact O-NZ 2.78Å
258	S	91.5	Very high	89.4	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.021	26%	0.257	C	S	.	.			trans	-137.7	50	175.9	-170.5	0	0	0	0	111.5	T245 I247 H264	T245-S258 PolarHBondContact O-N 2.85Å; I247-S258 VanDerWaalsContact CD1-OG 3.29Å; I247-S258 WeakPolarHBondContact CD1-OG 3.4Å; S258-H264 WeakPolarHBondContact OG-CA 3.34Å; S258-H264 PolarHBondContact OG-ND1 3.03Å
259	N	84.9	Confident	89.2	Confident	87 Å²	87	51.6 Å²	51.6	47%	0.465	28%	0.277	S	S	.	.			trans	-80.4	-18.9	-174.3	-55.4	-27.2	0	0	0	113.1	M244 T245 A261	M244-N259 WeakPolarHBondContact CA-OD1 3.42Å; T245-N259 PolarHBondContact N-OD1 2.82Å; N259-A261 PolarHBondContact O-N 2.91Å
260	N	84.5	Confident	89.1	Confident	24 Å²	24	52 Å²	52	13%	0.128	28%	0.28	C	S	.	.			trans	-76.7	117.4	175.8	-174.9	-9.1	0	0	0	109.4	D262 T263 H264	N260-D262 VanDerWaalsContact C-N 3.26Å; N260-D262 PolarHBondContact O-N 2.89Å; N260-D262 WeakPolarHBondContact OD1-CB 3.41Å; N260-D262 PolarHBondContact OD1-N 2.91Å; N260-T263 PolarHBondContact O-N 2.85Å; N260-H264 WeakPolarHBondContact O-CB 3.07Å; N260-H264 PolarHBondContact O-N 2.77Å
261	A	84.7	Confident	89	Confident	84 Å²	84	47.2 Å²	47.2	69%	0.694	26%	0.258	S	S	*	.	H	α-helix	trans	-61.3	-35.9	-179.7	0	0	0	0	0	112.1	N259 T263	N259-A261 PolarHBondContact O-N 2.91Å; A261-T263 VanDerWaalsContact C-N 3.34Å; A261-T263 PolarHBondContact O-N 3.02Å
262	D	83.7	Confident	88.8	Confident	129 Å²	129	50 Å²	50	69%	0.69	27%	0.265	S	S	*	.	H	α-helix	trans	-69	-34.4	-176.7	-56.7	-30.1	0	0	0	111.7	N260	N260-D262 VanDerWaalsContact C-N 3.26Å; N260-D262 PolarHBondContact O-N 2.89Å; N260-D262 WeakPolarHBondContact OD1-CB 3.41Å; N260-D262 PolarHBondContact OD1-N 2.91Å
263	T	86.3	Confident	87.9	Confident	8 Å²	8	53.1 Å²	53.1	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-102.1	-6.3	-178.4	69.7	0	0	0	0	113.6	E221 N260 A261 G265 L266 K267	E221-T263 PolarHBondContact OE1-OG1 2.96Å; E221-T263 PolarHBondContact OE2-OG1 2.86Å; N260-T263 PolarHBondContact O-N 2.85Å; A261-T263 VanDerWaalsContact C-N 3.34Å; A261-T263 PolarHBondContact O-N 3.02Å; T263-G265 PolarHBondContact O-N 3.34Å; T263-L266 PolarHBondContact O-N 3.32Å; T263-K267 WeakPolarHBondContact O-CB 3.48Å; T263-K267 WeakPolarHBondContact O-CG 3.46Å; T263-K267 PolarHBondContact O-N 2.75Å
264	H	88	Confident	86.2	Confident	71 Å²	71	52.1 Å²	52.1	33%	0.329	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-51.8	-174.7	174.6	64.4	0	0	0	112.7	S258 N260 L266 K267 V268	S258-H264 WeakPolarHBondContact OG-CA 3.34Å; S258-H264 PolarHBondContact OG-ND1 3.03Å; N260-H264 WeakPolarHBondContact O-CB 3.07Å; N260-H264 PolarHBondContact O-N 2.77Å; H264-L266 VanDerWaalsContact C-N 3.3Å; H264-L266 PolarHBondContact O-N 2.86Å; H264-K267 PolarHBondContact O-N 3.26Å; H264-V268 WeakPolarHBondContact O-CG2 3.33Å; H264-V268 PolarHBondContact O-N 2.99Å
265	G	88.7	Confident	84	Confident	39 Å²	39	58.9 Å²	58.9	40%	0.402	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-41.5	179.8	0	0	0	0	0	112.5	T263 V268 N269	T263-G265 PolarHBondContact O-N 3.34Å; G265-V268 PolarHBondContact O-N 2.89Å; G265-N269 VanDerWaalsContact O-CG 3.28Å; G265-N269 PolarHBondContact O-N 3.37Å; G265-N269 VanDerWaalsContact O-N 3.11Å; G265-N269 PolarHBondContact O-ND2 3.11Å
266	L	88.9	Confident	81.3	Confident	69 Å²	69	66.5 Å²	66.5	36%	0.361	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-49.7	176.5	-63.1	175.7	0	0	0	111.1	T263 H264 V268 N269 D270	T263-L266 PolarHBondContact O-N 3.32Å; H264-L266 VanDerWaalsContact C-N 3.3Å; H264-L266 PolarHBondContact O-N 2.86Å; L266-V268 VanDerWaalsContact C-N 3.32Å; L266-V268 PolarHBondContact O-N 3.21Å; L266-N269 PolarHBondContact O-N 3.25Å; L266-N269 VanDerWaalsContact O-N 3.1Å; L266-D270 WeakPolarHBondContact O-CB 3.4Å; L266-D270 PolarHBondContact O-N 2.97Å; L266-D270 VanDerWaalsContact O-OD2 3.14Å
267	K	90.7	Very high	78.5	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.017	37%	0.373	C	S	.	.	H	α-helix	trans	-58.5	-41.8	177.9	-78.7	-179.7	160.8	-179.1	0	112.8	E221 I247 I256 E257 T263 H264 N269 C271	E221-K267 VanDerWaalsContact CD-CE 3.45Å; E221-K267 WeakPolarHBondContact OE1-CE 3.46Å; E221-K267 IonicContact OE1-NZ 2.82Å; E221-K267 PolarHBondContact OE1-NZ 2.85Å; E221-K267 WeakPolarHBondContact OE2-CE 3.48Å; E221-K267 IonicContact OE2-NZ 2.77Å; E221-K267 PolarHBondContact OE2-NZ 2.82Å; E221-K267 VanDerWaalsContact OE2-NZ 3.14Å; I247-K267 HydrophobicContact CD1-CB 4.15Å; I256-K267 HydrophobicContact CD1-CD 4.47Å; E257-K267 PolarHBondContact O-NZ 2.78Å; T263-K267 WeakPolarHBondContact O-CB 3.48Å; T263-K267 WeakPolarHBondContact O-CG 3.46Å; T263-K267 PolarHBondContact O-N 2.75Å; H264-K267 PolarHBondContact O-N 3.26Å; K267-N269 VanDerWaalsContact C-N 3.34Å; K267-C271 VanDerWaalsContact O-CB 3.26Å; K267-C271 WeakPolarHBondContact O-CB 3.49Å; K267-C271 PolarHBondContact O-N 3.44Å
268	V	90.5	Very high	75.6	Confident	19 Å²	19	76.1 Å²	76.1	12%	0.115	41%	0.407	C	S	.	.	H	α-helix	trans	-58.4	-49.3	174.9	172.2	0	0	0	0	110.1	I247 H264 G265 L266 C271 R272	I247-V268 HydrophobicContact CD1-CB 4.31Å; I247-V268 HydrophobicContact CD1-CG2 3.37Å; I247-V268 HydrophobicContact CG1-CG2 4.32Å; H264-V268 WeakPolarHBondContact O-CG2 3.33Å; H264-V268 PolarHBondContact O-N 2.99Å; G265-V268 PolarHBondContact O-N 2.89Å; L266-V268 VanDerWaalsContact C-N 3.32Å; L266-V268 PolarHBondContact O-N 3.21Å; V268-C271 PolarHBondContact O-N 3.27Å; V268-R272 HydrophobicContact CG1-CG 4.38Å; V268-R272 VanDerWaalsContact CG1-CZ 3.44Å; V268-R272 VanDerWaalsContact O-CB 3.28Å; V268-R272 WeakPolarHBondContact O-CB 3.48Å; V268-R272 WeakPolarHBondContact O-CG 3.44Å; V268-R272 PolarHBondContact O-N 3.05Å; V268-R272 VanDerWaalsContact O-N 3.08Å
269	N	89.7	Confident	72.8	Confident	102 Å²	102	82.7 Å²	82.7	55%	0.545	45%	0.447	S	S	.	.	H	α-helix	trans	-64.6	-48.2	-179	-69	-16.9	0	0	0	111.4	G265 L266 K267 C271 R272 V273	G265-N269 VanDerWaalsContact O-CG 3.28Å; G265-N269 PolarHBondContact O-N 3.37Å; G265-N269 VanDerWaalsContact O-N 3.11Å; G265-N269 PolarHBondContact O-ND2 3.11Å; L266-N269 PolarHBondContact O-N 3.25Å; L266-N269 VanDerWaalsContact O-N 3.1Å; K267-N269 VanDerWaalsContact C-N 3.34Å; N269-C271 VanDerWaalsContact C-N 3.28Å; N269-C271 PolarHBondContact O-N 3.06Å; N269-R272 PolarHBondContact O-N 3.48Å; N269-V273 VanDerWaalsContact O-CG2 3.26Å; N269-V273 WeakPolarHBondContact O-CG2 3.4Å; N269-V273 PolarHBondContact O-N 2.94Å
270	D	91.3	Very high	70.3	Confident	9 Å²	9	85 Å²	85	5%	0.048	46%	0.459	C	S	.	.	H	α-helix	trans	-53.6	-45	178	-69.5	-31	0	0	0	111.9	I42 Y48 Y50 R59 L266	I42-D270 WeakPolarHBondContact CG2-O 2.97Å; Y48-D270 VanDerWaalsContact CE1-OD1 3.3Å; Y48-D270 WeakPolarHBondContact CE1-OD1 3.3Å; Y48-D270 VanDerWaalsContact CZ-OD1 3.27Å; Y48-D270 PolarHBondContact OH-OD1 3.18Å; Y48-D270 PolarHBondContact OH-OD2 3.14Å; Y50-D270 HydrophobicContact CD1-CB 3.56Å; Y50-D270 HydrophobicContact CE1-CB 3.86Å; Y50-D270 HydrophobicContact CG-CB 4.01Å; R59-D270 IonicContact CZ-OD2 3.51Å; R59-D270 IonicContact NE-OD2 2.93Å; R59-D270 PolarHBondContact NE-OD2 3.06Å; R59-D270 IonicContact NH2-OD2 3.78Å; R59-D270 PolarHBondContact NH2-OD2 2.73Å; L266-D270 WeakPolarHBondContact O-CB 3.4Å; L266-D270 PolarHBondContact O-N 2.97Å; L266-D270 VanDerWaalsContact O-OD2 3.14Å
271	C	90.7	Very high	67.6	Low	2 Å²	2	90.6 Å²	90.6	1%	0.014	49%	0.489	C	S	.	.	H	α-helix	trans	-83.5	-17.7	-174.9	-77	0	0	0	0	114.5	I247 C249 Q250 K267 V268 N269	I247-C271 HydrophobicContact CG2-CB 3.97Å; C249-C271 HydrophobicContact CB-CB 3.68Å; C249-C271 WeakPolarHBondContact CB-SG 3.38Å; C249-C271 WeakPolarHBondContact SG-CB 3.47Å; C249-C271 CovalentContact SG-SG 2.04Å; C249-C271 PolarHBondContact SG-SG 3.1Å; Q250-C271 PolarHBondContact N-O 2.81Å; K267-C271 VanDerWaalsContact O-CB 3.26Å; K267-C271 WeakPolarHBondContact O-CB 3.49Å; K267-C271 PolarHBondContact O-N 3.44Å; V268-C271 PolarHBondContact O-N 3.27Å; N269-C271 VanDerWaalsContact C-N 3.28Å; N269-C271 PolarHBondContact O-N 3.06Å
272	R	84.9	Confident	65.2	Low	178 Å²	178	94.1 Å²	94.1	67%	0.672	50%	0.496	S	S	*	.	H	α-helix	trans	-87.9	-12.9	178.8	-80.3	-178	-178.5	177.9	3.9	114.6	V268 N269 Q274	V268-R272 HydrophobicContact CG1-CG 4.38Å; V268-R272 VanDerWaalsContact CG1-CZ 3.44Å; V268-R272 VanDerWaalsContact O-CB 3.28Å; V268-R272 WeakPolarHBondContact O-CB 3.48Å; V268-R272 WeakPolarHBondContact O-CG 3.44Å; V268-R272 PolarHBondContact O-N 3.05Å; V268-R272 VanDerWaalsContact O-N 3.08Å; N269-R272 PolarHBondContact O-N 3.48Å; R272-Q274 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 3.05Å
273	V	67.6	Low	62.6	Low	71 Å²	71	96.5 Å²	96.5	43%	0.43	51%	0.509	S	S	.	.			trans	-56.7	94.4	-177.1	-173.2	0	0	0	0	110.4	I43 N269	I43-V273 HydrophobicContact CD1-CG1 4.3Å; I43-V273 HydrophobicContact CD1-CG2 3.98Å; N269-V273 VanDerWaalsContact O-CG2 3.26Å; N269-V273 WeakPolarHBondContact O-CG2 3.4Å; N269-V273 PolarHBondContact O-N 2.94Å
274	Q	53.9	Low	60.1	Low	145 Å²	145	100 Å²	100	68%	0.678	53%	0.533	S	S	*	.			trans	-76.3	136.8	163.2	-79.7	178.7	-5	0	0	106.5	R272 N276	R272-Q274 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 3.05Å; Q274-N276 PolarHBondContact O-N 2.84Å
275	K	44.5	Very low	57.3	Low	176 Å²	176	101.7 Å²	101.7	77%	0.765	55%	0.553	S	S	*	*			trans	-55.7	107.4	174.3	-170.7	-174.7	-176.1	-173	0	107.8	S277	K275-S277 PolarHBondContact O-N 2.79Å
276	N	36.9	Very low	54.6	Low	162 Å²	162	106 Å²	106	87%	0.866	57%	0.572	S	S	*	*			trans	-70.1	76.1	160.4	-75.3	-3.8	0	0	0	107.2	Q274	Q274-N276 PolarHBondContact O-N 2.84Å
277	S	33.2	Very low	51.7	Low	68 Å²	68	108.1 Å²	108.1	48%	0.476	59%	0.588	S	S	.	*			trans	-90.5	91.5	152.6	38.1	0	0	0	0	105.7	K275	K275-S277 PolarHBondContact O-N 2.79Å
278	D	33.2	Very low	48.9	Very low	148 Å²	148	116.4 Å²	116.4	79%	0.791	63%	0.629	S	S	*	*			trans	167.3	89.1	139.7	-77.2	-17.2	0	0	0	107.9	N280	D278-N280 VanDerWaalsContact C-N 3.29Å; D278-N280 PolarHBondContact O-N 2.78Å
279	V	31.5	Very low	46.1	Very low	142 Å²	142	124.1 Å²	124.1	86%	0.861	66%	0.664	S	S	*	*			trans	-66.8	97.3	157.5	173.8	0	0	0	0	105.4
280	N	32.3	Very low	43.2	Very low	134 Å²	134	127.3 Å²	127.3	72%	0.717	68%	0.675	S	S	*	*			trans	-150.6	131.2	155.7	-88.7	-26.9	0	0	0	108.3	D278	D278-N280 VanDerWaalsContact C-N 3.29Å; D278-N280 PolarHBondContact O-N 2.78Å
281	D	29	Very low	40.3	Very low	142 Å²	142	130.3 Å²	130.3	76%	0.759	71%	0.708	S	S	*	*			trans	69.8	82.8	160.1	-56.1	-29.5	0	0	0	118.9
282	L	34.6	Very low	37.4	Very low	159 Å²	159	137.8 Å²	137.8	83%	0.832	74%	0.743	S	S	*	*			trans	-155.1	66.4	130.3	-110.8	130.7	0	0	0	111.1	S284	L282-S284 VanDerWaalsContact C-N 3.28Å; L282-S284 PolarHBondContact O-N 3.32Å
283	N	28.9	Very low	34.7	Very low	178 Å²	178	135.9 Å²	135.9	95%	0.952	75%	0.751	S	S	*	*			trans	-68.8	93.5	142.9	-93.2	-10.7	0	0	0	107.1
284	S	33.4	Very low	32.8	Very low	81 Å²	81	138.6 Å²	138.6	57%	0.566	77%	0.768	S	S	*	*			trans	-128.4	97.6	151.5	79.5	0	0	0	0	108.4	L282 T286	L282-S284 VanDerWaalsContact C-N 3.28Å; L282-S284 PolarHBondContact O-N 3.32Å; S284-T286 PolarHBondContact O-N 3.05Å
285	S	29.9	Very low	31.7	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	78%	0.777	S	S	*	*			trans	-50.4	125.4	161.1	57	0	0	0	0	109.9
286	T	32	Very low	30.8	Very low	129 Å²	129	134.1 Å²	134.1	79%	0.791	77%	0.771	S	S	*	*			trans	-129.2	91.8	148.1	-39.5	0	0	0	0	107.9	S284	S284-T286 PolarHBondContact O-N 3.05Å
287	T	26.8	Very low	30.4	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	77%	0.768	S	S	*	*			trans	-42.3	126.8	159.1	-44.8	0	0	0	0	110.9
288	M	31.6	Very low	30.2	Very low	179 Å²	179	136.4 Å²	136.4	88%	0.882	78%	0.781	S	S	*	*			trans	-139.3	134.5	149.5	-80.7	-62.9	-74.6	0	0	108.1
289	E	32.3	Very low	30	Very low	180 Å²	180	138.3 Å²	138.3	84%	0.841	79%	0.785	S	S	*	*			trans	-66.2	154.8	-152.3	-73.4	-178.9	132	0	0	117.4
290	H	29.3	Very low	30	Very low	169 Å²	169	138 Å²	138	78%	0.782	78%	0.783	S	S	*	*			trans	-64.3	138.7	167.6	-155.9	57.9	0	0	0	111.5
291	G	30.7	Very low	29.9	Very low	73 Å²	73	140.5 Å²	140.5	75%	0.753	79%	0.791	S	S	*	*			trans	-164.2	73.3	171.8	0	0	0	0	0	110.5
292	E	28.6	Very low	30.1	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.743	80%	0.795	S	S	*	*			trans	-59.4	130.1	166.8	-75.2	-178.9	144.5	0	0	110.4
293	T	29.4	Very low	29.8	Very low	138 Å²	138	135.7 Å²	135.7	85%	0.847	79%	0.785	S	S	*	*			trans	-153.5	106.9	143.1	-58.1	0	0	0	0	109.9
294	T	26.2	Very low	29.8	Very low	127 Å²	127	136 Å²	136	78%	0.779	78%	0.781	S	S	*	*			trans	-56.8	134.3	161.7	-55.5	0	0	0	0	111.8
295	L	30.9	Very low	29.6	Very low	165 Å²	165	140.7 Å²	140.7	86%	0.864	80%	0.799	S	S	*	*			trans	-176.7	139.4	134.4	-105.3	146	0	0	0	110.6
296	G	25.5	Very low	29.6	Very low	63 Å²	63	143.8 Å²	143.8	65%	0.649	81%	0.806	S	S	*	*			trans	-84.2	-162.7	-167.3	0	0	0	0	0	116
297	I	29.2	Very low	29.4	Very low	154 Å²	154	146.5 Å²	146.5	79%	0.79	81%	0.812	S	S	*	*			trans	106	117	157.1	-44.9	172.1	0	0	0	115.1
298	T	28.3	Very low	29.6	Very low	123 Å²	123	150.9 Å²	150.9	76%	0.755	82%	0.822	S	S	*	*			trans	93.3	118.4	142.9	20.9	0	0	0	0	121.7
299	E	30.5	Very low	29.7	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.883	81%	0.809	S	S	*	*			trans	-45.6	133.9	156.6	-63.5	172.8	134.6	0	0	112.6
300	V	31.3	Very low	29.8	Very low	135 Å²	135	144.6 Å²	144.6	82%	0.818	81%	0.806	S	S	*	*			trans	-140.2	123.8	153.5	179.1	0	0	0	0	108.9
301	Q	29.2	Very low	30.2	Very low	186 Å²	186	139.2 Å²	139.2	87%	0.869	80%	0.796	S	S	*	*			trans	-59.7	135.6	171.9	-62.4	172.9	-30.7	0	0	111.6
302	V	33.7	Very low	30.5	Very low	141 Å²	141	142.7 Å²	142.7	86%	0.855	79%	0.793	S	S	*	*			trans	-140.7	107.1	151.4	-179.7	0	0	0	0	108.4
303	G	28	Very low	31	Very low	59 Å²	59	138.9 Å²	138.9	61%	0.608	78%	0.781	S	S	*	*			trans	-78.4	-173.9	166.3	0	0	0	0	0	112.3
304	E	29.2	Very low	31.4	Very low	186 Å²	186	137.3 Å²	137.3	87%	0.869	77%	0.767	S	S	*	*			trans	76.9	90.3	175.4	-62.2	-171.8	138.6	0	0	116.4
305	N	29.9	Very low	32.1	Very low	179 Å²	179	138.8 Å²	138.8	96%	0.957	76%	0.763	S	S	*	*			trans	-155.5	70	137.1	-86.6	-39.8	0	0	0	109.5
306	L	28.2	Very low	32.4	Very low	171 Å²	171	140.5 Å²	140.5	90%	0.895	76%	0.758	S	S	*	*			trans	-119.6	73.2	170.7	-170	84.5	0	0	0	109.1
307	M	29.2	Very low	33.1	Very low	187 Å²	187	142.5 Å²	142.5	92%	0.921	75%	0.753	S	S	*	*			trans	-167	89	162.9	-135	168.5	115.8	0	0	111.4
308	K	31.4	Very low	33.5	Very low	205 Å²	205	140.5 Å²	140.5	89%	0.891	74%	0.744	S	S	*	*			trans	166.8	77.6	150.8	-98.1	168.7	177.2	176	0	110.4
309	T	32.6	Very low	33.6	Very low	102 Å²	102	141.5 Å²	141.5	63%	0.626	74%	0.741	S	S	*	*			trans	-145.8	38	164.3	-26.9	0	0	0	0	111.3
310	T	34.8	Very low	34	Very low	126 Å²	126	136.3 Å²	136.3	77%	0.773	72%	0.723	S	S	*	*	S	Bend	trans	-111.5	6.1	-179.3	-16.2	0	0	0	0	112.9
311	G	37.2	Very low	34.3	Very low	56 Å²	56	133.5 Å²	133.5	58%	0.577	71%	0.706	S	S	*	*	S	Bend	trans	-110.6	-10	177.5	0	0	0	0	0	115.2
312	E	37.9	Very low	34.7	Very low	145 Å²	145	133.3 Å²	133.3	68%	0.678	70%	0.698	S	S	*	*	S	Bend	trans	-98.5	-28.9	-174.3	-149.2	162.2	-160	0	0	111.9	K315 R316	E312-K315 PolarHBondContact O-N 2.89Å; E312-R316 PolarHBondContact O-N 3.01Å; E312-R316 VanDerWaalsContact O-N 3.09Å
313	T	37.7	Very low	35	Very low	80 Å²	80	130.1 Å²	130.1	49%	0.491	68%	0.679	S	S	.	*	H	α-helix	trans	-67	-38.6	177	-26.8	0	0	0	0	112.2	R316 L317	T313-R316 PolarHBondContact O-N 3.19Å; T313-L317 PolarHBondContact O-N 3.28Å
314	D	38.1	Very low	35.6	Very low	104 Å²	104	130.8 Å²	130.8	56%	0.556	67%	0.671	S	S	*	*	H	α-helix	trans	-71.6	-29.5	176.6	-78.1	-13.2	0	0	0	113.1	N318	D314-N318 WeakPolarHBondContact O-CB 3.08Å; D314-N318 PolarHBondContact O-N 2.93Å; D314-N318 VanDerWaalsContact O-N 3.14Å; D314-N318 PolarHBondContact O-ND2 2.88Å; D314-N318 VanDerWaalsContact O-ND2 3.11Å
315	K	40.7	Very low	36.5	Very low	159 Å²	159	128.2 Å²	128.2	69%	0.691	66%	0.659	S	S	*	*	H	α-helix	trans	-71.6	-39.5	172.6	-82.1	-177.6	177	178.4	0	111.4	E312 N318 M319	E312-K315 PolarHBondContact O-N 2.89Å; K315-N318 PolarHBondContact O-N 3.47Å; K315-M319 WeakPolarHBondContact O-CB 3.49Å; K315-M319 PolarHBondContact O-N 2.95Å
316	R	38.3	Very low	37.3	Very low	201 Å²	201	125.4 Å²	125.4	76%	0.758	64%	0.64	S	S	*	*	H	α-helix	trans	-69.6	-38.9	179.8	-148.4	175.7	-173.4	-167.4	0.8	111.9	E312 T313 T320	E312-R316 PolarHBondContact O-N 3.01Å; E312-R316 VanDerWaalsContact O-N 3.09Å; T313-R316 PolarHBondContact O-N 3.19Å; R316-T320 WeakPolarHBondContact O-CB 3.5Å; R316-T320 PolarHBondContact O-N 2.99Å; R316-T320 VanDerWaalsContact O-N 3.1Å; R316-T320 PolarHBondContact O-OG1 2.9Å
317	L	40.4	Very low	38	Very low	105 Å²	105	122.7 Å²	122.7	55%	0.55	63%	0.626	S	S	.	*	H	α-helix	trans	-63.4	-49.2	172.3	-84.8	155	0	0	0	111.6	T313 M319 T320 T321	T313-L317 PolarHBondContact O-N 3.28Å; L317-M319 VanDerWaalsContact C-N 3.34Å; L317-M319 PolarHBondContact O-N 3.17Å; L317-T320 PolarHBondContact O-N 2.89Å; L317-T321 PolarHBondContact O-N 2.82Å; L317-T321 PolarHBondContact O-OG1 2.74Å
318	N	36	Very low	38.8	Very low	111 Å²	111	121.1 Å²	121.1	59%	0.594	61%	0.614	S	S	*	*	H	α-helix	trans	-65.7	-33	-179.8	-77.7	-33.1	0	0	0	113.7	D314 K315 R322	D314-N318 WeakPolarHBondContact O-CB 3.08Å; D314-N318 PolarHBondContact O-N 2.93Å; D314-N318 VanDerWaalsContact O-N 3.14Å; D314-N318 PolarHBondContact O-ND2 2.88Å; D314-N318 VanDerWaalsContact O-ND2 3.11Å; K315-N318 PolarHBondContact O-N 3.47Å; N318-R322 WeakPolarHBondContact O-CB 3.3Å; N318-R322 PolarHBondContact O-N 2.97Å; N318-R322 VanDerWaalsContact O-N 3.09Å
319	M	32.2	Very low	39.6	Very low	144 Å²	144	117.3 Å²	117.3	71%	0.709	60%	0.6	S	S	*	*	H	α-helix	trans	-72.8	-35.3	176.8	-156.2	172.5	-165.1	0	0	112.1	K315 L317 T323	K315-M319 WeakPolarHBondContact O-CB 3.49Å; K315-M319 PolarHBondContact O-N 2.95Å; L317-M319 VanDerWaalsContact C-N 3.34Å; L317-M319 PolarHBondContact O-N 3.17Å; M319-T323 WeakPolarHBondContact O-CB 3.33Å; M319-T323 PolarHBondContact O-N 3.41Å; M319-T323 PolarHBondContact O-OG1 3.23Å
320	T	37.5	Very low	40.5	Very low	80 Å²	80	118.9 Å²	118.9	49%	0.491	60%	0.599	S	S	.	*	H	α-helix	trans	-70.8	-38.3	176.2	-52	0	0	0	0	111.5	R316 L317 T323 T324	R316-T320 WeakPolarHBondContact O-CB 3.5Å; R316-T320 PolarHBondContact O-N 2.99Å; R316-T320 VanDerWaalsContact O-N 3.1Å; R316-T320 PolarHBondContact O-OG1 2.9Å; L317-T320 PolarHBondContact O-N 2.89Å; T320-T323 WeakPolarHBondContact CA-OG1 3.29Å; T320-T323 PolarHBondContact O-OG1 3.27Å; T320-T323 VanDerWaalsContact O-OG1 3.06Å; T320-T324 WeakPolarHBondContact O-CB 3.34Å; T320-T324 PolarHBondContact O-N 3.01Å; T320-T324 PolarHBondContact O-OG1 3.43Å
321	T	37.3	Very low	41.3	Very low	77 Å²	77	120 Å²	120	47%	0.472	59%	0.594	S	S	.	*	H	α-helix	trans	-68.6	-43.6	175.9	-45.8	0	0	0	0	111.6	L317 T324 E325	L317-T321 PolarHBondContact O-N 2.82Å; L317-T321 PolarHBondContact O-OG1 2.74Å; T321-T324 PolarHBondContact O-N 2.73Å; T321-E325 PolarHBondContact O-N 2.8Å
322	R	38	Very low	42.5	Very low	182 Å²	182	120.5 Å²	120.5	69%	0.687	59%	0.589	S	S	*	*	H	α-helix	trans	-61.9	-44.4	175.7	-99.5	-175.8	166.8	160.8	-2.7	112.9	N318 T324 E325 E326	N318-R322 WeakPolarHBondContact O-CB 3.3Å; N318-R322 PolarHBondContact O-N 2.97Å; N318-R322 VanDerWaalsContact O-N 3.09Å; R322-T324 VanDerWaalsContact C-N 3.3Å; R322-T324 PolarHBondContact O-N 2.88Å; R322-E325 PolarHBondContact O-N 3.17Å; R322-E326 WeakPolarHBondContact O-CB 3.32Å; R322-E326 WeakPolarHBondContact O-CG 3.5Å; R322-E326 PolarHBondContact O-N 3.38Å
323	T	39.5	Very low	43.7	Very low	74 Å²	74	118.1 Å²	118.1	45%	0.454	58%	0.577	S	S	.	*	H	α-helix	trans	-66.3	-33.3	177.4	41.5	0	0	0	0	112.1	M319 T320 N327	M319-T323 WeakPolarHBondContact O-CB 3.33Å; M319-T323 PolarHBondContact O-N 3.41Å; M319-T323 PolarHBondContact O-OG1 3.23Å; T320-T323 WeakPolarHBondContact CA-OG1 3.29Å; T320-T323 PolarHBondContact O-OG1 3.27Å; T320-T323 VanDerWaalsContact O-OG1 3.06Å; T323-N327 WeakPolarHBondContact O-CB 3.47Å; T323-N327 PolarHBondContact O-N 2.84Å
324	T	41	Very low	45	Very low	73 Å²	73	121.1 Å²	121.1	45%	0.448	58%	0.579	S	S	.	*	H	α-helix	trans	-69.3	-39.4	175.5	-55.8	0	0	0	0	112.1	T320 T321 R322 K328	T320-T324 WeakPolarHBondContact O-CB 3.34Å; T320-T324 PolarHBondContact O-N 3.01Å; T320-T324 PolarHBondContact O-OG1 3.43Å; T321-T324 PolarHBondContact O-N 2.73Å; R322-T324 VanDerWaalsContact C-N 3.3Å; R322-T324 PolarHBondContact O-N 2.88Å; T324-K328 WeakPolarHBondContact O-CG 3.36Å; T324-K328 PolarHBondContact O-N 2.9Å; T324-K328 VanDerWaalsContact O-N 3.08Å
325	E	48	Very low	46.5	Very low	132 Å²	132	122.8 Å²	122.8	62%	0.617	58%	0.579	S	S	*	*	H	α-helix	trans	-68.9	-45.2	174.8	-76.6	-169.7	156.1	0	0	112.5	T321 R322 N327 K328 Q329	T321-E325 PolarHBondContact O-N 2.8Å; R322-E325 PolarHBondContact O-N 3.17Å; E325-N327 VanDerWaalsContact C-N 3.32Å; E325-N327 PolarHBondContact O-N 2.84Å; E325-K328 PolarHBondContact O-N 3.09Å; E325-Q329 PolarHBondContact O-N 2.99Å
326	E	46.7	Very low	48	Very low	120 Å²	120	119.7 Å²	119.7	56%	0.561	57%	0.569	S	S	*	*	H	α-helix	trans	-61.8	-40.4	176.8	-75.7	178.4	173.3	0	0	111.6	R322 Q329 H330	R322-E326 WeakPolarHBondContact O-CB 3.32Å; R322-E326 WeakPolarHBondContact O-CG 3.5Å; R322-E326 PolarHBondContact O-N 3.38Å; E326-Q329 PolarHBondContact O-N 3.31Å; E326-H330 WeakPolarHBondContact O-CB 3.28Å; E326-H330 PolarHBondContact O-N 3.3Å
327	N	44.2	Very low	49.8	Very low	113 Å²	113	117.5 Å²	117.5	60%	0.604	56%	0.562	S	S	*	*	H	α-helix	trans	-70.3	-34.7	178.4	-152.7	-11.2	0	0	0	111.5	T323 E325 K331	T323-N327 WeakPolarHBondContact O-CB 3.47Å; T323-N327 PolarHBondContact O-N 2.84Å; E325-N327 VanDerWaalsContact C-N 3.32Å; E325-N327 PolarHBondContact O-N 2.84Å; N327-K331 VanDerWaalsContact O-CB 3.27Å; N327-K331 WeakPolarHBondContact O-CB 3.41Å; N327-K331 PolarHBondContact O-N 3.1Å
328	K	44.3	Very low	51.3	Low	155 Å²	155	115.6 Å²	115.6	67%	0.674	56%	0.555	S	S	*	*	H	α-helix	trans	-63.5	-44	169.7	-82.8	-179.2	-180	176	0	111.8	T324 E325 K331 S332	T324-K328 WeakPolarHBondContact O-CG 3.36Å; T324-K328 PolarHBondContact O-N 2.9Å; T324-K328 VanDerWaalsContact O-N 3.08Å; E325-K328 PolarHBondContact O-N 3.09Å; K328-K331 PolarHBondContact O-N 2.9Å; K328-S332 WeakPolarHBondContact O-CB 3.35Å; K328-S332 PolarHBondContact O-N 3.1Å
329	Q	48.2	Very low	53.1	Low	124 Å²	124	111.8 Å²	111.8	58%	0.579	54%	0.536	S	S	*	.	H	α-helix	trans	-66.4	-42.8	179.9	-167.7	174	-4.1	0	0	111.6	E325 E326 K331 S332 H333	E325-Q329 PolarHBondContact O-N 2.99Å; E326-Q329 PolarHBondContact O-N 3.31Å; Q329-K331 PolarHBondContact O-N 2.7Å; Q329-S332 PolarHBondContact O-N 2.99Å; Q329-H333 PolarHBondContact O-CD2 2.74Å; Q329-H333 VanDerWaalsContact O-CD2 3.31Å; Q329-H333 PolarHBondContact O-N 3.5Å
330	H	52.4	Low	55.4	Low	135 Å²	135	108.9 Å²	108.9	63%	0.625	52%	0.522	S	S	*	.	H	α-helix	trans	-65	-39.7	176.6	-167.3	-72	0	0	0	111.9	E326 H333 W334	E326-H330 WeakPolarHBondContact O-CB 3.28Å; E326-H330 PolarHBondContact O-N 3.3Å; H330-H333 PolarHBondContact O-N 2.75Å; H330-W334 WeakPolarHBondContact O-CB 3.46Å; H330-W334 PolarHBondContact O-N 3.47Å
331	K	51.3	Low	57.6	Low	150 Å²	150	108 Å²	108	65%	0.652	52%	0.517	S	S	*	.	H	α-helix	trans	-66.5	-37.7	177.2	-151.3	173.4	-168.2	177.4	0	111.9	N327 K328 Q329 Y335	N327-K331 VanDerWaalsContact O-CB 3.27Å; N327-K331 WeakPolarHBondContact O-CB 3.41Å; N327-K331 PolarHBondContact O-N 3.1Å; K328-K331 PolarHBondContact O-N 2.9Å; Q329-K331 PolarHBondContact O-N 2.7Å; K331-Y335 WeakPolarHBondContact O-CB 3.45Å; K331-Y335 PolarHBondContact O-N 2.93Å; K331-Y335 VanDerWaalsContact O-N 3.08Å
332	S	63.1	Low	59.7	Low	67 Å²	67	107 Å²	107	47%	0.469	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-48.4	174.2	-177	0	0	0	0	112	K328 Q329 W334 Y335 L336	K328-S332 WeakPolarHBondContact O-CB 3.35Å; K328-S332 PolarHBondContact O-N 3.1Å; Q329-S332 PolarHBondContact O-N 2.99Å; S332-W334 PolarHBondContact O-N 3.17Å; S332-Y335 PolarHBondContact O-N 2.86Å; S332-L336 WeakPolarHBondContact O-CB 3.25Å; S332-L336 PolarHBondContact O-N 3Å
333	H	62.1	Low	61.9	Low	94 Å²	94	101.4 Å²	101.4	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-62.5	-43.1	177.5	-85.2	-121.9	0	0	0	112	Q329 H330 Y335 L336 Y337	Q329-H333 PolarHBondContact O-CD2 2.74Å; Q329-H333 VanDerWaalsContact O-CD2 3.31Å; Q329-H333 PolarHBondContact O-N 3.5Å; H330-H333 PolarHBondContact O-N 2.75Å; H333-Y335 VanDerWaalsContact C-N 3.32Å; H333-Y335 PolarHBondContact O-N 3.47Å; H333-L336 PolarHBondContact O-N 3.21Å; H333-Y337 HydrophobicContact CB-CD2 4.31Å; H333-Y337 AromaticContact ND1-CE2 3.78Å; H333-Y337 VanDerWaalsContact O-CD2 3.26Å; H333-Y337 WeakPolarHBondContact O-CD2 3.09Å; H333-Y337 PolarHBondContact O-N 3.26Å
334	W	65.8	Low	64	Low	143 Å²	143	101.2 Å²	101.2	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-61.2	-41.1	176.6	-177.8	79.6	0	0	0	112	H330 S332 V338 V339	H330-W334 WeakPolarHBondContact O-CB 3.46Å; H330-W334 PolarHBondContact O-N 3.47Å; S332-W334 PolarHBondContact O-N 3.17Å; W334-V338 HydrophobicContact CG-CG2 4.45Å; W334-V338 WeakPolarHBondContact O-CA 3.24Å; W334-V338 WeakPolarHBondContact O-CB 3.21Å; W334-V338 PolarHBondContact O-N 3.2Å; W334-V339 HydrophobicContact CD2-CG2 4.32Å; W334-V339 HydrophobicContact CE3-CG2 3.82Å; W334-V339 HydrophobicContact CH2-CG2 3.69Å; W334-V339 HydrophobicContact CZ2-CG2 4.18Å; W334-V339 HydrophobicContact CZ3-CG2 3.49Å; W334-V339 VanDerWaalsContact CZ3-CG2 3.49Å; W334-V339 PolarHBondContact O-N 3.07Å
335	Y	68.7	Low	66.1	Low	140 Å²	140	100.2 Å²	100.2	55%	0.549	49%	0.49	S	S	.	.	I	π-helix	trans	-65.3	-44.2	177	-153.4	-92.7	0	0	0	112.1	K331 S332 H333 V339 I340	K331-Y335 WeakPolarHBondContact O-CB 3.45Å; K331-Y335 PolarHBondContact O-N 2.93Å; K331-Y335 VanDerWaalsContact O-N 3.08Å; S332-Y335 PolarHBondContact O-N 2.86Å; H333-Y335 VanDerWaalsContact C-N 3.32Å; H333-Y335 PolarHBondContact O-N 3.47Å; Y335-V339 HydrophobicContact CD2-CB 4.1Å; Y335-V339 HydrophobicContact CD2-CG1 4.27Å; Y335-V339 HydrophobicContact CD2-CG2 3.99Å; Y335-V339 HydrophobicContact CE2-CB 4.32Å; Y335-V339 HydrophobicContact CE2-CG1 3.98Å; Y335-V339 HydrophobicContact CE2-CG2 4.41Å; Y335-V339 HydrophobicContact CG-CB 4.25Å; Y335-V339 HydrophobicContact CG-CG2 4.43Å; Y335-V339 WeakPolarHBondContact O-CB 3.36Å; Y335-V339 PolarHBondContact O-N 3.07Å; Y335-I340 HydrophobicContact CD1-CG1 4.33Å; Y335-I340 HydrophobicContact CE1-CG1 4.48Å; Y335-I340 PolarHBondContact O-N 3.31Å
336	L	72.5	Confident	67.9	Low	93 Å²	93	97.4 Å²	97.4	49%	0.487	48%	0.479	S	S	.	.	I	π-helix	trans	-73	-38.4	-173.6	-150.7	129.9	0	0	0	113	S332 H333 I340	S332-L336 WeakPolarHBondContact O-CB 3.25Å; S332-L336 PolarHBondContact O-N 3Å; H333-L336 PolarHBondContact O-N 3.21Å; L336-I340 HydrophobicContact CG-CD1 4.38Å
337	Y	75.7	Confident	69.8	Low	155 Å²	155	98.2 Å²	98.2	61%	0.608	48%	0.481	S	S	*	.	I	π-helix	trans	-99.3	-21.6	-175.5	-66	-73.6	0	0	0	114.4	H333 P341	H333-Y337 HydrophobicContact CB-CD2 4.31Å; H333-Y337 AromaticContact ND1-CE2 3.78Å; H333-Y337 VanDerWaalsContact O-CD2 3.26Å; H333-Y337 WeakPolarHBondContact O-CD2 3.09Å; H333-Y337 PolarHBondContact O-N 3.26Å; Y337-P341 WeakPolarHBondContact O-CG 3.47Å
338	V	73.8	Confident	71.9	Confident	65 Å²	65	98.3 Å²	98.3	39%	0.394	48%	0.48	S	S	.	.	I	π-helix	trans	-108.6	-54	-179.8	-171.3	0	0	0	0	110.9	W334 L342	W334-V338 HydrophobicContact CG-CG2 4.45Å; W334-V338 WeakPolarHBondContact O-CA 3.24Å; W334-V338 WeakPolarHBondContact O-CB 3.21Å; W334-V338 PolarHBondContact O-N 3.2Å; V338-L342 WeakPolarHBondContact O-CB 3.38Å; V338-L342 PolarHBondContact O-N 2.84Å
339	V	73.8	Confident	74	Confident	32 Å²	32	94.9 Å²	94.9	19%	0.194	47%	0.469	C	S	.	.	I	π-helix	trans	-71.4	-47.7	-172	-177.8	0	0	0	0	111.8	W334 Y335 L342 V343	W334-V339 HydrophobicContact CD2-CG2 4.32Å; W334-V339 HydrophobicContact CE3-CG2 3.82Å; W334-V339 HydrophobicContact CH2-CG2 3.69Å; W334-V339 HydrophobicContact CZ2-CG2 4.18Å; W334-V339 HydrophobicContact CZ3-CG2 3.49Å; W334-V339 VanDerWaalsContact CZ3-CG2 3.49Å; W334-V339 PolarHBondContact O-N 3.07Å; Y335-V339 HydrophobicContact CD2-CB 4.1Å; Y335-V339 HydrophobicContact CD2-CG1 4.27Å; Y335-V339 HydrophobicContact CD2-CG2 3.99Å; Y335-V339 HydrophobicContact CE2-CB 4.32Å; Y335-V339 HydrophobicContact CE2-CG1 3.98Å; Y335-V339 HydrophobicContact CE2-CG2 4.41Å; Y335-V339 HydrophobicContact CG-CB 4.25Å; Y335-V339 HydrophobicContact CG-CG2 4.43Å; Y335-V339 WeakPolarHBondContact O-CB 3.36Å; Y335-V339 PolarHBondContact O-N 3.07Å; V339-L342 PolarHBondContact O-N 2.8Å; V339-V343 HydrophobicContact CG1-CG2 4.22Å; V339-V343 WeakPolarHBondContact O-CG2 3.24Å; V339-V343 PolarHBondContact O-N 2.95Å
340	I	79.8	Confident	75.8	Confident	82 Å²	82	92.3 Å²	92.3	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-50.5	-177.6	-65	175.8	0	0	0	112.2	Y335 L336 L342 V343 T344	Y335-I340 HydrophobicContact CD1-CG1 4.33Å; Y335-I340 HydrophobicContact CE1-CG1 4.48Å; Y335-I340 PolarHBondContact O-N 3.31Å; L336-I340 HydrophobicContact CG-CD1 4.38Å; I340-L342 PolarHBondContact O-N 2.92Å; I340-V343 PolarHBondContact O-N 2.82Å; I340-T344 HydrophobicContact CG2-CG2 4.31Å; I340-T344 WeakPolarHBondContact O-CG2 3.43Å; I340-T344 PolarHBondContact O-N 2.84Å; I340-T344 PolarHBondContact O-OG1 2.84Å
341	P	83	Confident	77.6	Confident	61 Å²	61	90.1 Å²	90.1	40%	0.396	46%	0.456	S	S	.	.	H	α-helix	trans	-62.4	-30.6	178.9	-26.6	38.6	0	0	0	113.7	Y337 T344 S345	Y337-P341 WeakPolarHBondContact O-CG 3.47Å; P341-T344 VanDerWaalsContact CA-OG1 3.32Å; P341-T344 WeakPolarHBondContact CA-OG1 3.32Å; P341-T344 PolarHBondContact O-OG1 2.87Å; P341-S345 WeakPolarHBondContact O-CB 3.18Å; P341-S345 PolarHBondContact O-N 2.81Å
342	L	81.7	Confident	79.4	Confident	56 Å²	56	87.1 Å²	87.1	29%	0.293	45%	0.45	S	S	.	.	H	α-helix	trans	-74.8	-41.6	-179	-151.7	161.2	0	0	0	110.6	I16 V338 V339 I340 L346	I16-L342 HydrophobicContact CD1-CD1 4.23Å; I16-L342 HydrophobicContact CD1-CD2 4.07Å; I16-L342 HydrophobicContact CD1-CG 3.82Å; I16-L342 HydrophobicContact CG1-CD1 3.94Å; I16-L342 HydrophobicContact CG1-CD2 3.93Å; I16-L342 HydrophobicContact CG1-CG 3.94Å; I16-L342 HydrophobicContact CG2-CD2 4.01Å; V338-L342 WeakPolarHBondContact O-CB 3.38Å; V338-L342 PolarHBondContact O-N 2.84Å; V339-L342 PolarHBondContact O-N 2.8Å; I340-L342 PolarHBondContact O-N 2.92Å; L342-L346 HydrophobicContact CD2-CD1 3.99Å; L342-L346 WeakPolarHBondContact O-CG 3.36Å; L342-L346 PolarHBondContact O-N 2.81Å
343	V	84.2	Confident	80.5	Confident	65 Å²	65	87.3 Å²	87.3	39%	0.394	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-45.9	172.3	173.7	0	0	0	0	111.1	V339 I340 S345 L346 F347	V339-V343 HydrophobicContact CG1-CG2 4.22Å; V339-V343 WeakPolarHBondContact O-CG2 3.24Å; V339-V343 PolarHBondContact O-N 2.95Å; I340-V343 PolarHBondContact O-N 2.82Å; V343-S345 VanDerWaalsContact C-N 3.35Å; V343-S345 PolarHBondContact O-N 2.83Å; V343-L346 PolarHBondContact O-N 2.86Å; V343-F347 HydrophobicContact CG1-CD2 3.73Å; V343-F347 HydrophobicContact CG1-CE2 3.67Å; V343-F347 VanDerWaalsContact O-CD2 3.3Å; V343-F347 WeakPolarHBondContact O-CD2 3.31Å; V343-F347 PolarHBondContact O-N 2.75Å
344	T	84.1	Confident	81.7	Confident	71 Å²	71	88.3 Å²	88.3	44%	0.436	46%	0.458	S	S	.	.	H	α-helix	trans	-64.6	-38.7	178.7	56.6	0	0	0	0	112.1	I340 P341 F347 L348	I340-T344 HydrophobicContact CG2-CG2 4.31Å; I340-T344 WeakPolarHBondContact O-CG2 3.43Å; I340-T344 PolarHBondContact O-N 2.84Å; I340-T344 PolarHBondContact O-OG1 2.84Å; P341-T344 VanDerWaalsContact CA-OG1 3.32Å; P341-T344 WeakPolarHBondContact CA-OG1 3.32Å; P341-T344 PolarHBondContact O-OG1 2.87Å; T344-F347 PolarHBondContact O-N 2.86Å; T344-L348 WeakPolarHBondContact O-CG 3.27Å; T344-L348 PolarHBondContact O-N 3.4Å
345	S	84.8	Confident	82.7	Confident	52 Å²	52	85.8 Å²	85.8	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-60.2	-45.4	173.3	-178	0	0	0	0	112	P341 V343 F347 L348 I349	P341-S345 WeakPolarHBondContact O-CB 3.18Å; P341-S345 PolarHBondContact O-N 2.81Å; V343-S345 VanDerWaalsContact C-N 3.35Å; V343-S345 PolarHBondContact O-N 2.83Å; S345-F347 PolarHBondContact O-N 3.17Å; S345-L348 PolarHBondContact O-N 2.96Å; S345-I349 VanDerWaalsContact O-CG1 3.3Å; S345-I349 WeakPolarHBondContact O-CG1 3.42Å; S345-I349 PolarHBondContact O-N 3.18Å
346	L	86.6	Confident	83.5	Confident	72 Å²	72	87.3 Å²	87.3	38%	0.377	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-42.5	175.7	-75.1	168.2	0	0	0	112.2	L342 V343 I349 C350	L342-L346 HydrophobicContact CD2-CD1 3.99Å; L342-L346 WeakPolarHBondContact O-CG 3.36Å; L342-L346 PolarHBondContact O-N 2.81Å; V343-L346 PolarHBondContact O-N 2.86Å; L346-I349 PolarHBondContact O-N 2.85Å; L346-C350 PolarHBondContact O-N 2.86Å; L346-C350 PolarHBondContact O-SG 2.81Å; L346-C350 VanDerWaalsContact O-SG 3.35Å
347	F	86.2	Confident	84	Confident	138 Å²	138	91.8 Å²	91.8	61%	0.605	47%	0.469	S	S	*	.	H	α-helix	trans	-61.9	-42.9	175.5	-89.1	-75.1	0	0	0	112.4	V343 T344 S345 C350 I351	V343-F347 HydrophobicContact CG1-CD2 3.73Å; V343-F347 HydrophobicContact CG1-CE2 3.67Å; V343-F347 VanDerWaalsContact O-CD2 3.3Å; V343-F347 WeakPolarHBondContact O-CD2 3.31Å; V343-F347 PolarHBondContact O-N 2.75Å; T344-F347 PolarHBondContact O-N 2.86Å; S345-F347 PolarHBondContact O-N 3.17Å; F347-C350 PolarHBondContact O-N 2.86Å; F347-I351 VanDerWaalsContact O-CG1 3.32Å; F347-I351 WeakPolarHBondContact O-CG1 3.18Å; F347-I351 PolarHBondContact O-N 2.91Å
348	L	88	Confident	84.4	Confident	114 Å²	114	92 Å²	92	60%	0.597	47%	0.469	S	S	*	.	H	α-helix	trans	-63.9	-42.7	177.2	-71.7	171.8	0	0	0	111.9	T344 S345 C350 I351 V352	T344-L348 WeakPolarHBondContact O-CG 3.27Å; T344-L348 PolarHBondContact O-N 3.4Å; S345-L348 PolarHBondContact O-N 2.96Å; L348-C350 VanDerWaalsContact C-N 3.34Å; L348-C350 PolarHBondContact O-N 2.84Å; L348-I351 PolarHBondContact O-N 3.31Å; L348-V352 WeakPolarHBondContact O-CG2 3.37Å; L348-V352 PolarHBondContact O-N 3.27Å
349	I	88.1	Confident	84.9	Confident	84 Å²	84	93.4 Å²	93.4	43%	0.431	47%	0.474	S	S	.	.	H	α-helix	trans	-60.8	-44.2	175.5	-67.6	165.8	0	0	0	110.5	S345 L346 I351 V352 C353	S345-I349 VanDerWaalsContact O-CG1 3.3Å; S345-I349 WeakPolarHBondContact O-CG1 3.42Å; S345-I349 PolarHBondContact O-N 3.18Å; L346-I349 PolarHBondContact O-N 2.85Å; I349-I351 PolarHBondContact O-N 2.62Å; I349-V352 PolarHBondContact O-N 3.37Å; I349-C353 WeakPolarHBondContact O-CB 3.37Å; I349-C353 PolarHBondContact O-N 2.84Å; I349-C353 PolarHBondContact O-SG 3.2Å; I349-C353 VanDerWaalsContact O-SG 3.35Å
350	C	86.5	Confident	85	Confident	70 Å²	70	96.8 Å²	96.8	47%	0.473	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-44.1	176.3	-74.9	0	0	0	0	112.3	L346 F347 L348 C353 I354	L346-C350 PolarHBondContact O-N 2.86Å; L346-C350 PolarHBondContact O-SG 2.81Å; L346-C350 VanDerWaalsContact O-SG 3.35Å; F347-C350 PolarHBondContact O-N 2.86Å; L348-C350 VanDerWaalsContact C-N 3.34Å; L348-C350 PolarHBondContact O-N 2.84Å; C350-C353 PolarHBondContact O-N 3.48Å; C350-I354 VanDerWaalsContact O-CG1 3.27Å; C350-I354 WeakPolarHBondContact O-CG1 3.3Å; C350-I354 PolarHBondContact O-N 3.06Å
351	I	89.8	Confident	84.8	Confident	88 Å²	88	102.6 Å²	102.6	45%	0.451	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-46	177.4	-68.5	165.8	0	0	0	110.6	F347 L348 I349 C353 I354 I355	F347-I351 VanDerWaalsContact O-CG1 3.32Å; F347-I351 WeakPolarHBondContact O-CG1 3.18Å; F347-I351 PolarHBondContact O-N 2.91Å; L348-I351 PolarHBondContact O-N 3.31Å; I349-I351 PolarHBondContact O-N 2.62Å; I351-C353 VanDerWaalsContact C-N 3.34Å; I351-C353 PolarHBondContact O-N 3.37Å; I351-I354 PolarHBondContact O-N 2.82Å; I351-I355 HydrophobicContact CG2-CD1 3.72Å; I351-I355 HydrophobicContact CG2-CG1 4.38Å; I351-I355 WeakPolarHBondContact O-CG1 3.42Å; I351-I355 PolarHBondContact O-N 3.32Å
352	V	88.6	Confident	84.6	Confident	88 Å²	88	106.8 Å²	106.8	53%	0.533	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-43	177.1	172.6	0	0	0	0	111.1	L348 I349 I354 I355 W356	L348-V352 WeakPolarHBondContact O-CG2 3.37Å; L348-V352 PolarHBondContact O-N 3.27Å; I349-V352 PolarHBondContact O-N 3.37Å; V352-I354 PolarHBondContact O-N 2.67Å; V352-I355 PolarHBondContact O-N 3.02Å; V352-W356 VanDerWaalsContact O-CB 3.3Å; V352-W356 WeakPolarHBondContact O-CB 3.43Å; V352-W356 PolarHBondContact O-N 3.35Å
353	C	86.5	Confident	84.1	Confident	70 Å²	70	111.7 Å²	111.7	47%	0.473	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-39.5	175.7	-76.3	0	0	0	0	112.8	I349 C350 I351 R357	I349-C353 WeakPolarHBondContact O-CB 3.37Å; I349-C353 PolarHBondContact O-N 2.84Å; I349-C353 PolarHBondContact O-SG 3.2Å; I349-C353 VanDerWaalsContact O-SG 3.35Å; C350-C353 PolarHBondContact O-N 3.48Å; I351-C353 VanDerWaalsContact C-N 3.34Å; I351-C353 PolarHBondContact O-N 3.37Å; C353-R357 WeakPolarHBondContact O-CB 3.37Å; C353-R357 WeakPolarHBondContact O-CG 3.23Å; C353-R357 PolarHBondContact O-N 3.14Å
354	I	87.3	Confident	83.3	Confident	116 Å²	116	118.7 Å²	118.7	60%	0.595	55%	0.553	S	S	*	*	H	α-helix	trans	-66.9	-47.3	177.1	-69.4	165.6	0	0	0	110.4	C350 I351 V352 W356 R357 W358	C350-I354 VanDerWaalsContact O-CG1 3.27Å; C350-I354 WeakPolarHBondContact O-CG1 3.3Å; C350-I354 PolarHBondContact O-N 3.06Å; I351-I354 PolarHBondContact O-N 2.82Å; V352-I354 PolarHBondContact O-N 2.67Å; I354-W356 VanDerWaalsContact C-N 3.34Å; I354-W356 PolarHBondContact O-N 3.09Å; I354-R357 PolarHBondContact O-N 3.36Å; I354-W358 WeakPolarHBondContact O-CB 3.17Å; I354-W358 PolarHBondContact O-N 3.22Å
355	I	88.1	Confident	82.4	Confident	89 Å²	89	119.6 Å²	119.6	46%	0.456	56%	0.562	S	S	.	*	H	α-helix	trans	-61.1	-44.2	177.6	-66.5	169.2	0	0	0	110.4	I351 V352 R357 W358 L359	I351-I355 HydrophobicContact CG2-CD1 3.72Å; I351-I355 HydrophobicContact CG2-CG1 4.38Å; I351-I355 WeakPolarHBondContact O-CG1 3.42Å; I351-I355 PolarHBondContact O-N 3.32Å; V352-I355 PolarHBondContact O-N 3.02Å; I355-R357 PolarHBondContact O-N 3.11Å; I355-W358 PolarHBondContact O-N 3.31Å; I355-L359 HydrophobicContact CG2-CD1 4.04Å; I355-L359 HydrophobicContact CG2-CG 4.43Å; I355-L359 WeakPolarHBondContact O-CG 3.38Å; I355-L359 PolarHBondContact O-N 2.8Å
356	W	84.8	Confident	81.2	Confident	173 Å²	173	123.8 Å²	123.8	66%	0.655	58%	0.581	S	S	*	*	H	α-helix	trans	-59.9	-47.2	176.7	-170.6	-57.6	0	0	0	111.5	V352 I354 W358 L359 L360	V352-W356 VanDerWaalsContact O-CB 3.3Å; V352-W356 WeakPolarHBondContact O-CB 3.43Å; V352-W356 PolarHBondContact O-N 3.35Å; I354-W356 VanDerWaalsContact C-N 3.34Å; I354-W356 PolarHBondContact O-N 3.09Å; W356-W358 VanDerWaalsContact C-N 3.3Å; W356-W358 PolarHBondContact O-N 3.15Å; W356-L359 PolarHBondContact O-N 2.95Å; W356-L360 PolarHBondContact O-N 3.32Å
357	R	82.8	Confident	79.5	Confident	187 Å²	187	130.8 Å²	130.8	71%	0.706	61%	0.611	S	S	*	*	H	α-helix	trans	-61.6	-38.3	176.4	-80.9	-176.8	174.1	-176	-0.2	112.1	C353 I354 I355 R361	C353-R357 WeakPolarHBondContact O-CB 3.37Å; C353-R357 WeakPolarHBondContact O-CG 3.23Å; C353-R357 PolarHBondContact O-N 3.14Å; I354-R357 PolarHBondContact O-N 3.36Å; I355-R357 PolarHBondContact O-N 3.11Å; R357-R361 PolarHBondContact O-N 2.98Å
358	W	84.3	Confident	79.2	Confident	158 Å²	158	130.4 Å²	130.4	60%	0.598	61%	0.612	S	S	*	*	H	α-helix	trans	-65.4	-43.6	176.7	-171.1	74.6	0	0	0	111.8	I354 I355 W356 R361 R362	I354-W358 WeakPolarHBondContact O-CB 3.17Å; I354-W358 PolarHBondContact O-N 3.22Å; I355-W358 PolarHBondContact O-N 3.31Å; W356-W358 VanDerWaalsContact C-N 3.3Å; W356-W358 PolarHBondContact O-N 3.15Å; W358-R361 PolarHBondContact O-N 2.99Å; W358-R362 PolarHBondContact O-N 3.08Å
359	L	83.9	Confident	78.7	Confident	96 Å²	96	131.3 Å²	131.3	50%	0.503	61%	0.612	S	S	.	*	H	α-helix	trans	-64.8	-40.8	175.4	-70.8	172.6	0	0	0	112.7	I355 W356 R361 R362 K363	I355-L359 HydrophobicContact CG2-CD1 4.04Å; I355-L359 HydrophobicContact CG2-CG 4.43Å; I355-L359 WeakPolarHBondContact O-CG 3.38Å; I355-L359 PolarHBondContact O-N 2.8Å; W356-L359 PolarHBondContact O-N 2.95Å; L359-R361 PolarHBondContact O-N 2.69Å; L359-R362 PolarHBondContact O-N 3.08Å; L359-K363 PolarHBondContact O-N 2.6Å
360	L	76.7	Confident	78.2	Confident	103 Å²	103	133.9 Å²	133.9	54%	0.539	62%	0.622	S	S	.	*	H	α-helix	trans	-61.9	-41.6	174.6	-81.1	175.2	0	0	0	112.1	W356 K363 R364	W356-L360 PolarHBondContact O-N 3.32Å; L360-K363 PolarHBondContact O-N 2.86Å; L360-R364 PolarHBondContact O-N 2.85Å
361	R	75.5	Confident	77.7	Confident	203 Å²	203	137.6 Å²	137.6	77%	0.766	63%	0.631	S	S	*	*	H	α-helix	trans	-64.5	-39.6	175.5	-78.2	-173	-175	-176.2	1.7	112	R357 W358 L359 K363 R364 S365	R357-R361 PolarHBondContact O-N 2.98Å; W358-R361 PolarHBondContact O-N 2.99Å; L359-R361 PolarHBondContact O-N 2.69Å; R361-K363 VanDerWaalsContact C-N 3.35Å; R361-K363 PolarHBondContact O-N 3.08Å; R361-R364 PolarHBondContact O-N 3.48Å; R361-S365 PolarHBondContact O-N 3.12Å
362	R	77.2	Confident	77	Confident	150 Å²	150	140.8 Å²	140.8	57%	0.566	64%	0.643	S	S	*	*	H	α-helix	trans	-66.3	-36.8	179	-162.4	173.7	-175	173.6	0.4	112.2	W358 L359 R364 S365	W358-R362 PolarHBondContact O-N 3.08Å; L359-R362 PolarHBondContact O-N 3.08Å; R362-R364 VanDerWaalsContact C-N 3.31Å; R362-R364 PolarHBondContact O-N 2.66Å; R362-S365 PolarHBondContact O-N 3.12Å
363	K	72.6	Confident	76.2	Confident	159 Å²	159	144.3 Å²	144.3	69%	0.691	65%	0.65	S	S	*	*	H	α-helix	trans	-66.3	-33.2	177.3	-155.5	176.7	-177.7	-175.5	0	112.5	L359 L360 R361 S365	L359-K363 PolarHBondContact O-N 2.6Å; L360-K363 PolarHBondContact O-N 2.86Å; R361-K363 VanDerWaalsContact C-N 3.35Å; R361-K363 PolarHBondContact O-N 3.08Å; K363-S365 VanDerWaalsContact C-N 3.29Å; K363-S365 PolarHBondContact O-N 3.04Å
364	R	66.6	Low	75.4	Confident	211 Å²	211	149.6 Å²	149.6	80%	0.796	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-4.4	177.5	-153.7	-175.6	-89.4	-176.8	-8.3	114.1	L360 R361 R362	L360-R364 PolarHBondContact O-N 2.85Å; R361-R364 PolarHBondContact O-N 3.48Å; R362-R364 VanDerWaalsContact C-N 3.31Å; R362-R364 PolarHBondContact O-N 2.66Å
365	S	65.2	Low	74.5	Confident	90 Å²	90	152.2 Å²	152.2	63%	0.629	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-5.9	175.4	-176.6	0	0	0	0	113	R361 R362 K363	R361-S365 PolarHBondContact O-N 3.12Å; R362-S365 PolarHBondContact O-N 3.12Å; K363-S365 VanDerWaalsContact C-N 3.29Å; K363-S365 PolarHBondContact O-N 3.04Å
366	N	59.4	Low	73.4	Confident	141 Å²	141	157.4 Å²	157.4	75%	0.754	69%	0.685	S	S	*	*			trans	-110.7	6.5	179	-76.6	0.9	0	0	0	112.4
367	E	51.8	Low	72.4	Confident	218 Å²	218	156 Å²	156	100%	1.019	69%	0.688	S	S	*	*			trans	-106.3	0	159	-76.5	174.4	174	0	0	106.9

Retrieved 367 of 367 residues in 344.1 ms (Link to these results)

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