A0A077Z2L2_TRITR Loading...

Long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A077Z2L2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 602 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	51.7	Low	197 Å²	197	90.5 Å²	90.5	97%	0.97	50%	0.496	S	S	*	.				0	-53.4	0	-156.4	172.5	67.8	0	0	111.3
2	I	42.7	Very low	52.4	Low	135 Å²	135	89.8 Å²	89.8	69%	0.692	50%	0.497	S	S	*	.	H	α-helix	trans	-64.4	-48.7	177.9	-62.6	172.9	0	0	0	111	E4 F6	I2-E4 PolarHBondContact O-N 3.08Å; I2-F6 WeakPolarHBondContact O-CB 3.29Å; I2-F6 PolarHBondContact O-N 2.87Å
3	I	50	Low	52.8	Low	98 Å²	98	90.4 Å²	90.4	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-46.5	-172.3	-62.1	173.9	0	0	0	113.7	F6 F7	I3-F6 WeakPolarHBondContact O-CB 3.49Å; I3-F6 PolarHBondContact O-N 3.25Å; I3-F7 HydrophobicContact CG2-CD2 3.7Å; I3-F7 HydrophobicContact CG2-CE2 3.58Å; I3-F7 VanDerWaalsContact O-CD2 3.25Å; I3-F7 WeakPolarHBondContact O-CD2 3.45Å; I3-F7 PolarHBondContact O-N 3.42Å
4	E	48.9	Very low	53	Low	69 Å²	69	84.7 Å²	84.7	32%	0.322	47%	0.466	S	S	.	.	H	α-helix	trans	-68.1	-41.7	-176.8	-67.3	177.4	172.8	0	0	113.2	I2 F6 G8	I2-E4 PolarHBondContact O-N 3.08Å; E4-F6 VanDerWaalsContact C-N 3.33Å; E4-G8 PolarHBondContact O-N 3.02Å
5	C	47.3	Very low	53.6	Low	83 Å²	83	87 Å²	87	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-70.6	-32.3	174.6	-69.5	0	0	0	0	111.6	A9	C5-A9 WeakPolarHBondContact O-CB 3.31Å; C5-A9 PolarHBondContact O-N 3.25Å; C5-A9 VanDerWaalsContact O-N 3.1Å
6	F	57.6	Low	54	Low	124 Å²	124	92.1 Å²	92.1	54%	0.544	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-44.6	177.5	-160.3	-95.2	0	0	0	111.5	I2 I3 E4 G8 A9 L10	I2-F6 WeakPolarHBondContact O-CB 3.29Å; I2-F6 PolarHBondContact O-N 2.87Å; I3-F6 WeakPolarHBondContact O-CB 3.49Å; I3-F6 PolarHBondContact O-N 3.25Å; E4-F6 VanDerWaalsContact C-N 3.33Å; F6-G8 PolarHBondContact O-N 2.85Å; F6-A9 PolarHBondContact O-N 3.27Å; F6-L10 HydrophobicContact CD1-CD1 4.25Å; F6-L10 HydrophobicContact CE1-CD1 3.8Å; F6-L10 HydrophobicContact CZ-CD1 4.09Å; F6-L10 WeakPolarHBondContact O-CB 3.23Å; F6-L10 PolarHBondContact O-N 3.5Å
7	F	56.8	Low	54.3	Low	45 Å²	45	89.9 Å²	89.9	20%	0.197	49%	0.486	C	S	.	.	H	α-helix	trans	-64.3	-40.4	177.9	-85.7	-70.3	0	0	0	113.2	I3 L11 F27 L30 I31	I3-F7 HydrophobicContact CG2-CD2 3.7Å; I3-F7 HydrophobicContact CG2-CE2 3.58Å; I3-F7 VanDerWaalsContact O-CD2 3.25Å; I3-F7 WeakPolarHBondContact O-CD2 3.45Å; I3-F7 PolarHBondContact O-N 3.42Å; F7-L11 PolarHBondContact O-N 2.94Å; F7-L11 VanDerWaalsContact O-N 3.11Å; F7-F27 HydrophobicContact CD1-CD2 4.22Å; F7-F27 HydrophobicContact CD1-CE1 4.39Å; F7-F27 AromaticContact CD1-CE2 3.33Å; F7-F27 HydrophobicContact CD1-CE2 3.33Å; F7-F27 AromaticContact CD1-CZ 3.46Å; F7-F27 HydrophobicContact CD1-CZ 3.46Å; F7-F27 VanDerWaalsContact CD1-CZ 3.46Å; F7-F27 AromaticContact CE1-CD2 3.97Å; F7-F27 HydrophobicContact CE1-CD2 3.97Å; F7-F27 AromaticContact CE1-CE2 3.53Å; F7-F27 HydrophobicContact CE1-CE2 3.53Å; F7-F27 AromaticContact CE1-CZ 4Å; F7-F27 HydrophobicContact CE1-CZ 4Å; F7-F27 HydrophobicContact CG-CE2 4.48Å; F7-L30 HydrophobicContact CE1-CB 4.33Å; F7-L30 HydrophobicContact CZ-CB 4.06Å; F7-I31 HydrophobicContact CD1-CD1 4Å; F7-I31 HydrophobicContact CD1-CG1 3.58Å; F7-I31 HydrophobicContact CE1-CB 4.48Å; F7-I31 HydrophobicContact CE1-CD1 4.19Å; F7-I31 HydrophobicContact CE1-CG1 3.33Å; F7-I31 HydrophobicContact CZ-CG1 4.17Å
8	G	57.6	Low	55	Low	42 Å²	42	94.9 Å²	94.9	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-67.3	-42.3	177.8	0	0	0	0	0	113.4	E4 F6	E4-G8 PolarHBondContact O-N 3.02Å; F6-G8 PolarHBondContact O-N 2.85Å
9	A	57.3	Low	55.6	Low	58 Å²	58	92.7 Å²	92.7	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-69.5	-36.2	177.2	0	0	0	0	0	112.5	C5 F6 V12 L13	C5-A9 WeakPolarHBondContact O-CB 3.31Å; C5-A9 PolarHBondContact O-N 3.25Å; C5-A9 VanDerWaalsContact O-N 3.1Å; F6-A9 PolarHBondContact O-N 3.27Å; A9-V12 PolarHBondContact O-N 2.87Å; A9-L13 PolarHBondContact O-N 3.48Å
10	L	55.2	Low	56.6	Low	50 Å²	50	92.4 Å²	92.4	26%	0.262	50%	0.502	S	S	.	.	H	α-helix	trans	-68.2	-38.4	177.2	-129.5	84.8	0	0	0	112.2	F6 V12 L13 M14 F27	F6-L10 HydrophobicContact CD1-CD1 4.25Å; F6-L10 HydrophobicContact CE1-CD1 3.8Å; F6-L10 HydrophobicContact CZ-CD1 4.09Å; F6-L10 WeakPolarHBondContact O-CB 3.23Å; F6-L10 PolarHBondContact O-N 3.5Å; L10-V12 PolarHBondContact O-N 3.02Å; L10-L13 PolarHBondContact O-N 2.99Å; L10-L13 VanDerWaalsContact O-N 3.12Å; L10-M14 VanDerWaalsContact O-CG 3.32Å; L10-M14 WeakPolarHBondContact O-CG 3.45Å; L10-M14 PolarHBondContact O-N 3.43Å; L10-F27 HydrophobicContact CB-CE2 3.8Å; L10-F27 HydrophobicContact CB-CZ 4.11Å; L10-F27 HydrophobicContact CD2-CD2 3.55Å; L10-F27 HydrophobicContact CD2-CE2 3.41Å; L10-F27 VanDerWaalsContact CD2-CE2 3.41Å; L10-F27 HydrophobicContact CD2-CZ 4.38Å; L10-F27 HydrophobicContact CG-CE2 4.24Å
11	L	57.5	Low	57.6	Low	94 Å²	94	96 Å²	96	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-59.5	-37.1	178.4	-158.7	85	0	0	0	111.7	F7 I15 F27	F7-L11 PolarHBondContact O-N 2.94Å; F7-L11 VanDerWaalsContact O-N 3.11Å; L11-I15 WeakPolarHBondContact O-CG1 3.31Å; L11-I15 PolarHBondContact O-N 2.87Å; L11-F27 HydrophobicContact CD1-CE1 3.94Å; L11-F27 HydrophobicContact CD1-CZ 4.47Å
12	V	60	Low	59.5	Low	83 Å²	83	90.1 Å²	90.1	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-69.6	-44	174.9	177.5	0	0	0	0	110.7	A9 L10 M14 I15 F16	A9-V12 PolarHBondContact O-N 2.87Å; L10-V12 PolarHBondContact O-N 3.02Å; V12-M14 VanDerWaalsContact C-N 3.26Å; V12-M14 PolarHBondContact O-N 3.41Å; V12-I15 PolarHBondContact O-N 2.71Å; V12-F16 HydrophobicContact CG1-CD2 4.09Å; V12-F16 HydrophobicContact CG1-CE2 4.16Å; V12-F16 VanDerWaalsContact O-CD2 3.28Å; V12-F16 WeakPolarHBondContact O-CD2 3.4Å
13	L	57.5	Low	61.1	Low	97 Å²	97	86.7 Å²	86.7	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-61.1	-33	176.6	-82.2	159.6	0	0	0	113.3	A9 L10 F16 S17	A9-L13 PolarHBondContact O-N 3.48Å; L10-L13 PolarHBondContact O-N 2.99Å; L10-L13 VanDerWaalsContact O-N 3.12Å; L13-F16 PolarHBondContact O-N 3.38Å; L13-S17 WeakPolarHBondContact O-CB 3.42Å; L13-S17 PolarHBondContact O-N 2.88Å; L13-S17 PolarHBondContact O-OG 3.24Å
14	M	55.4	Low	62.3	Low	11 Å²	11	87 Å²	87	5%	0.054	48%	0.48	C	S	.	.	H	α-helix	trans	-70.8	-27.3	177.1	-69.8	-175.9	87.2	0	0	114	L10 V12 F16 I19 Y24 F27	L10-M14 VanDerWaalsContact O-CG 3.32Å; L10-M14 WeakPolarHBondContact O-CG 3.45Å; L10-M14 PolarHBondContact O-N 3.43Å; V12-M14 VanDerWaalsContact C-N 3.26Å; V12-M14 PolarHBondContact O-N 3.41Å; M14-F16 VanDerWaalsContact C-N 3.33Å; M14-I19 HydrophobicContact CB-CD1 4.38Å; M14-I19 HydrophobicContact CG-CD1 3.87Å; M14-Y24 HydrophobicContact CE-CD1 3.47Å; M14-Y24 VanDerWaalsContact CE-CD1 3.47Å; M14-Y24 HydrophobicContact CE-CD2 3.29Å; M14-Y24 HydrophobicContact CE-CE1 3.54Å; M14-Y24 HydrophobicContact CE-CE2 3.37Å; M14-Y24 HydrophobicContact CE-CG 3.33Å; M14-Y24 VanDerWaalsContact CE-CZ 3.49Å; M14-F27 HydrophobicContact CE-CB 4.44Å; M14-F27 HydrophobicContact CE-CD1 4.42Å; M14-F27 HydrophobicContact SD-CB 4.39Å; M14-F27 HydrophobicContact SD-CD1 3.63Å; M14-F27 HydrophobicContact SD-CD2 4.49Å; M14-F27 HydrophobicContact SD-CE1 3.85Å; M14-F27 HydrophobicContact SD-CG 3.95Å; M14-F27 HydrophobicContact SD-CZ 4.36Å
15	I	62.4	Low	63.7	Low	119 Å²	119	89.5 Å²	89.5	61%	0.61	50%	0.495	S	S	*	.	H	α-helix	trans	-76.2	-26.4	177.1	-66.3	167.6	0	0	0	111.1	L11 V12	L11-I15 WeakPolarHBondContact O-CG1 3.31Å; L11-I15 PolarHBondContact O-N 2.87Å; V12-I15 PolarHBondContact O-N 2.71Å
16	F	59.8	Low	65.4	Low	169 Å²	169	90.8 Å²	90.8	74%	0.741	50%	0.495	S	S	*	.	H	α-helix	trans	-108.3	2.5	-171.7	-71.1	-71.9	0	0	0	115	V12 L13 M14	V12-F16 HydrophobicContact CG1-CD2 4.09Å; V12-F16 HydrophobicContact CG1-CE2 4.16Å; V12-F16 VanDerWaalsContact O-CD2 3.28Å; V12-F16 WeakPolarHBondContact O-CD2 3.4Å; L13-F16 PolarHBondContact O-N 3.38Å; M14-F16 VanDerWaalsContact C-N 3.33Å
17	S	59.5	Low	66.4	Low	55 Å²	55	85.5 Å²	85.5	39%	0.385	47%	0.472	S	S	.	.	S	Bend	trans	-137.9	139.8	-177.1	-35.4	0	0	0	0	111.1	L13 I19	L13-S17 WeakPolarHBondContact O-CB 3.42Å; L13-S17 PolarHBondContact O-N 2.88Å; L13-S17 PolarHBondContact O-OG 3.24Å; S17-I19 VanDerWaalsContact C-N 3.25Å; S17-I19 WeakPolarHBondContact O-CG1 3.49Å; S17-I19 PolarHBondContact O-N 3.42Å
18	D	66.1	Low	67.6	Low	179 Å²	179	87.9 Å²	87.9	96%	0.957	49%	0.486	S	S	*	.			trans	-69.9	81.3	170.2	-84.1	-35.5	0	0	0	109.9
19	I	67.2	Low	68.8	Low	54 Å²	54	88.8 Å²	88.8	28%	0.277	49%	0.486	S	S	.	.			trans	-90.1	134	179.3	-54.7	-177.2	0	0	0	108.6	M14 S17 T23	M14-I19 HydrophobicContact CB-CD1 4.38Å; M14-I19 HydrophobicContact CG-CD1 3.87Å; S17-I19 VanDerWaalsContact C-N 3.25Å; S17-I19 WeakPolarHBondContact O-CG1 3.49Å; S17-I19 PolarHBondContact O-N 3.42Å; I19-T23 HydrophobicContact CG2-CG2 3.72Å
20	P	75.3	Confident	70.2	Confident	85 Å²	85	90.2 Å²	90.2	55%	0.552	49%	0.485	S	S	*	.			trans	-53.8	141.5	-178.6	-24.8	32	0	0	0	113.4	A22 T23 Y24	P20-A22 PolarHBondContact O-N 2.93Å; P20-A22 VanDerWaalsContact O-N 3.08Å; P20-T23 WeakPolarHBondContact O-CA 3.47Å; P20-T23 VanDerWaalsContact O-CB 3.29Å; P20-T23 WeakPolarHBondContact O-CB 3.33Å; P20-T23 PolarHBondContact O-N 3.29Å; P20-T23 PolarHBondContact O-OG1 2.79Å; P20-Y24 PolarHBondContact O-N 3.2Å
21	E	76.5	Confident	71.5	Confident	169 Å²	169	90.6 Å²	90.6	79%	0.79	49%	0.487	S	S	*	.	H	α-helix	trans	-50.9	-37	179.6	-83.3	-170.6	148.6	0	0	113.6	T23 Y24 L25	E21-T23 PolarHBondContact O-N 2.9Å; E21-Y24 WeakPolarHBondContact O-CA 3.49Å; E21-Y24 VanDerWaalsContact O-CB 3.23Å; E21-Y24 WeakPolarHBondContact O-CB 3.2Å; E21-Y24 PolarHBondContact O-N 3.46Å; E21-L25 PolarHBondContact O-N 3.45Å
22	A	77.9	Confident	72.7	Confident	74 Å²	74	88.2 Å²	88.2	61%	0.612	48%	0.481	S	S	*	.	H	α-helix	trans	-58.8	-34.9	177.2	0	0	0	0	0	112.4	P20 L26	P20-A22 PolarHBondContact O-N 2.93Å; P20-A22 VanDerWaalsContact O-N 3.08Å; A22-L26 WeakPolarHBondContact O-CB 3.32Å; A22-L26 PolarHBondContact O-N 3.31Å
23	T	77.5	Confident	73.9	Confident	63 Å²	63	86.7 Å²	86.7	39%	0.387	47%	0.473	S	S	.	.	H	α-helix	trans	-71.7	-34.6	176.1	-37.2	0	0	0	0	111.1	I19 P20 E21 L26 F27	I19-T23 HydrophobicContact CG2-CG2 3.72Å; P20-T23 WeakPolarHBondContact O-CA 3.47Å; P20-T23 VanDerWaalsContact O-CB 3.29Å; P20-T23 WeakPolarHBondContact O-CB 3.33Å; P20-T23 PolarHBondContact O-N 3.29Å; P20-T23 PolarHBondContact O-OG1 2.79Å; E21-T23 PolarHBondContact O-N 2.9Å; T23-L26 PolarHBondContact O-N 3.44Å; T23-F27 VanDerWaalsContact O-CB 3.31Å; T23-F27 WeakPolarHBondContact O-CB 3.45Å; T23-F27 PolarHBondContact O-N 2.84Å
24	Y	74.9	Confident	75.2	Confident	104 Å²	104	85.2 Å²	85.2	41%	0.408	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-49.1	173	-117.3	-75.9	0	0	0	111.5	M14 P20 E21 L26 F27 I28	M14-Y24 HydrophobicContact CE-CD1 3.47Å; M14-Y24 VanDerWaalsContact CE-CD1 3.47Å; M14-Y24 HydrophobicContact CE-CD2 3.29Å; M14-Y24 HydrophobicContact CE-CE1 3.54Å; M14-Y24 HydrophobicContact CE-CE2 3.37Å; M14-Y24 HydrophobicContact CE-CG 3.33Å; M14-Y24 VanDerWaalsContact CE-CZ 3.49Å; P20-Y24 PolarHBondContact O-N 3.2Å; E21-Y24 WeakPolarHBondContact O-CA 3.49Å; E21-Y24 VanDerWaalsContact O-CB 3.23Å; E21-Y24 WeakPolarHBondContact O-CB 3.2Å; E21-Y24 PolarHBondContact O-N 3.46Å; Y24-L26 PolarHBondContact O-N 3.12Å; Y24-F27 PolarHBondContact O-N 2.79Å; Y24-I28 HydrophobicContact CD1-CD1 4.22Å; Y24-I28 VanDerWaalsContact O-CG1 3.31Å; Y24-I28 WeakPolarHBondContact O-CG1 3.14Å; Y24-I28 PolarHBondContact O-N 3.44Å
25	L	78.4	Confident	76.5	Confident	122 Å²	122	86.6 Å²	86.6	64%	0.639	47%	0.471	S	S	*	.	H	α-helix	trans	-62.5	-43.1	177.4	-78.3	167.4	0	0	0	111.9	E21 F27 I28 S29	E21-L25 PolarHBondContact O-N 3.45Å; L25-F27 VanDerWaalsContact C-N 3.31Å; L25-F27 PolarHBondContact O-N 2.85Å; L25-I28 PolarHBondContact O-N 3.47Å; L25-S29 WeakPolarHBondContact O-CB 3.22Å; L25-S29 PolarHBondContact O-N 2.81Å
26	L	82.6	Confident	77.5	Confident	109 Å²	109	85.7 Å²	85.7	57%	0.571	47%	0.467	S	S	*	.	H	α-helix	trans	-59.6	-44.4	175.7	-156.7	93.2	0	0	0	110.9	A22 T23 Y24 S29 L30	A22-L26 WeakPolarHBondContact O-CB 3.32Å; A22-L26 PolarHBondContact O-N 3.31Å; T23-L26 PolarHBondContact O-N 3.44Å; Y24-L26 PolarHBondContact O-N 3.12Å; L26-S29 PolarHBondContact O-N 3.45Å; L26-S29 PolarHBondContact O-OG 3.31Å; L26-L30 HydrophobicContact CD2-CD1 4.29Å; L26-L30 WeakPolarHBondContact O-CB 3.33Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.41Å
27	F	78.6	Confident	78.7	Confident	14 Å²	14	87.7 Å²	87.7	6%	0.061	47%	0.47	C	S	.	.	H	α-helix	trans	-66.2	-45.2	179.2	-171.6	-104.9	0	0	0	112.7	F7 L10 L11 M14 T23 Y24 L25 S29 L30 I31	F7-F27 HydrophobicContact CD1-CD2 4.22Å; F7-F27 HydrophobicContact CD1-CE1 4.39Å; F7-F27 AromaticContact CD1-CE2 3.33Å; F7-F27 HydrophobicContact CD1-CE2 3.33Å; F7-F27 AromaticContact CD1-CZ 3.46Å; F7-F27 HydrophobicContact CD1-CZ 3.46Å; F7-F27 VanDerWaalsContact CD1-CZ 3.46Å; F7-F27 AromaticContact CE1-CD2 3.97Å; F7-F27 HydrophobicContact CE1-CD2 3.97Å; F7-F27 AromaticContact CE1-CE2 3.53Å; F7-F27 HydrophobicContact CE1-CE2 3.53Å; F7-F27 AromaticContact CE1-CZ 4Å; F7-F27 HydrophobicContact CE1-CZ 4Å; F7-F27 HydrophobicContact CG-CE2 4.48Å; L10-F27 HydrophobicContact CB-CE2 3.8Å; L10-F27 HydrophobicContact CB-CZ 4.11Å; L10-F27 HydrophobicContact CD2-CD2 3.55Å; L10-F27 HydrophobicContact CD2-CE2 3.41Å; L10-F27 VanDerWaalsContact CD2-CE2 3.41Å; L10-F27 HydrophobicContact CD2-CZ 4.38Å; L10-F27 HydrophobicContact CG-CE2 4.24Å; L11-F27 HydrophobicContact CD1-CE1 3.94Å; L11-F27 HydrophobicContact CD1-CZ 4.47Å; M14-F27 HydrophobicContact CE-CB 4.44Å; M14-F27 HydrophobicContact CE-CD1 4.42Å; M14-F27 HydrophobicContact SD-CB 4.39Å; M14-F27 HydrophobicContact SD-CD1 3.63Å; M14-F27 HydrophobicContact SD-CD2 4.49Å; M14-F27 HydrophobicContact SD-CE1 3.85Å; M14-F27 HydrophobicContact SD-CG 3.95Å; M14-F27 HydrophobicContact SD-CZ 4.36Å; T23-F27 VanDerWaalsContact O-CB 3.31Å; T23-F27 WeakPolarHBondContact O-CB 3.45Å; T23-F27 PolarHBondContact O-N 2.84Å; Y24-F27 PolarHBondContact O-N 2.79Å; L25-F27 VanDerWaalsContact C-N 3.31Å; L25-F27 PolarHBondContact O-N 2.85Å; F27-S29 VanDerWaalsContact C-N 3.27Å; F27-S29 PolarHBondContact O-N 3.12Å; F27-L30 PolarHBondContact O-N 3.3Å; F27-L30 VanDerWaalsContact O-N 3.12Å; F27-I31 HydrophobicContact CD1-CD1 3.7Å; F27-I31 HydrophobicContact CD1-CG1 4.3Å; F27-I31 HydrophobicContact CE1-CD1 3.22Å; F27-I31 HydrophobicContact CE1-CG1 4.1Å; F27-I31 HydrophobicContact CZ-CD1 3.74Å; F27-I31 HydrophobicContact CZ-CG1 4.35Å; F27-I31 WeakPolarHBondContact O-CG1 3.38Å; F27-I31 PolarHBondContact O-N 3.46Å
28	I	82	Confident	80	Confident	94 Å²	94	87.7 Å²	87.7	48%	0.482	47%	0.466	S	S	.	.	H	α-helix	trans	-58.6	-42.5	173.7	-68.8	168.2	0	0	0	109.8	Y24 L25 L30 I31 A32	Y24-I28 HydrophobicContact CD1-CD1 4.22Å; Y24-I28 VanDerWaalsContact O-CG1 3.31Å; Y24-I28 WeakPolarHBondContact O-CG1 3.14Å; Y24-I28 PolarHBondContact O-N 3.44Å; L25-I28 PolarHBondContact O-N 3.47Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 2.75Å; I28-I31 PolarHBondContact O-N 3.11Å; I28-A32 WeakPolarHBondContact O-CB 3.16Å; I28-A32 PolarHBondContact O-N 3.21Å
29	S	82.9	Confident	81	Confident	62 Å²	62	87 Å²	87	43%	0.434	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-37.8	176.4	86.4	0	0	0	0	112.5	L25 L26 F27 A32 S33	L25-S29 WeakPolarHBondContact O-CB 3.22Å; L25-S29 PolarHBondContact O-N 2.81Å; L26-S29 PolarHBondContact O-N 3.45Å; L26-S29 PolarHBondContact O-OG 3.31Å; F27-S29 VanDerWaalsContact C-N 3.27Å; F27-S29 PolarHBondContact O-N 3.12Å; S29-A32 PolarHBondContact O-N 3.2Å; S29-S33 WeakPolarHBondContact O-CB 3.44Å; S29-S33 PolarHBondContact O-N 2.86Å
30	L	86.9	Confident	82	Confident	88 Å²	88	90.2 Å²	90.2	46%	0.461	47%	0.467	S	S	.	.	H	α-helix	trans	-70.9	-42.4	179	-78	169.7	0	0	0	111	F7 L26 F27 I28 W34	F7-L30 HydrophobicContact CE1-CB 4.33Å; F7-L30 HydrophobicContact CZ-CB 4.06Å; L26-L30 HydrophobicContact CD2-CD1 4.29Å; L26-L30 WeakPolarHBondContact O-CB 3.33Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.41Å; F27-L30 PolarHBondContact O-N 3.3Å; F27-L30 VanDerWaalsContact O-N 3.12Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 2.75Å; L30-W34 VanDerWaalsContact O-CB 3.22Å; L30-W34 WeakPolarHBondContact O-CB 3.28Å; L30-W34 PolarHBondContact O-N 2.98Å
31	I	82.7	Confident	82.6	Confident	58 Å²	58	88.2 Å²	88.2	30%	0.297	45%	0.45	S	S	.	.	H	α-helix	trans	-62.3	-48.9	171.7	-69.9	-176.8	0	0	0	109.7	F7 F27 I28 S33 W34 C35	F7-I31 HydrophobicContact CD1-CD1 4Å; F7-I31 HydrophobicContact CD1-CG1 3.58Å; F7-I31 HydrophobicContact CE1-CB 4.48Å; F7-I31 HydrophobicContact CE1-CD1 4.19Å; F7-I31 HydrophobicContact CE1-CG1 3.33Å; F7-I31 HydrophobicContact CZ-CG1 4.17Å; F27-I31 HydrophobicContact CD1-CD1 3.7Å; F27-I31 HydrophobicContact CD1-CG1 4.3Å; F27-I31 HydrophobicContact CE1-CD1 3.22Å; F27-I31 HydrophobicContact CE1-CG1 4.1Å; F27-I31 HydrophobicContact CZ-CD1 3.74Å; F27-I31 HydrophobicContact CZ-CG1 4.35Å; F27-I31 WeakPolarHBondContact O-CG1 3.38Å; F27-I31 PolarHBondContact O-N 3.46Å; I28-I31 PolarHBondContact O-N 3.11Å; I31-S33 PolarHBondContact O-N 3.25Å; I31-W34 CarbonylContact O-C 3.59Å; I31-W34 PolarHBondContact O-N 3.38Å; I31-C35 VanDerWaalsContact O-CB 3.32Å; I31-C35 WeakPolarHBondContact O-CB 3.23Å; I31-C35 PolarHBondContact O-N 3.48Å; I31-C35 PolarHBondContact O-SG 3.21Å
32	A	81.7	Confident	83.1	Confident	44 Å²	44	82.7 Å²	82.7	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-60.3	-46.2	180	0	0	0	0	0	111.2	I28 S29 W34 C35 L36	I28-A32 WeakPolarHBondContact O-CB 3.16Å; I28-A32 PolarHBondContact O-N 3.21Å; S29-A32 PolarHBondContact O-N 3.2Å; A32-W34 PolarHBondContact O-N 3.03Å; A32-C35 PolarHBondContact O-N 2.85Å; A32-L36 WeakPolarHBondContact O-CB 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.33Å; A32-L36 PolarHBondContact O-N 2.91Å
33	S	85.5	Confident	83.7	Confident	50 Å²	50	87.8 Å²	87.8	35%	0.35	43%	0.429	S	S	.	.	H	α-helix	trans	-61.6	-42.1	175.4	-174.9	0	0	0	0	111.9	S29 I31 L36 R37	S29-S33 WeakPolarHBondContact O-CB 3.44Å; S29-S33 PolarHBondContact O-N 2.86Å; I31-S33 PolarHBondContact O-N 3.25Å; S33-L36 PolarHBondContact O-N 3.36Å; S33-R37 WeakPolarHBondContact O-CB 3.46Å; S33-R37 WeakPolarHBondContact O-CG 3.47Å; S33-R37 PolarHBondContact O-N 2.93Å
34	W	86	Confident	84.4	Confident	66 Å²	66	87.2 Å²	87.2	25%	0.25	42%	0.42	C	S	.	.	H	α-helix	trans	-64.5	-45.4	174.8	-177.4	88.6	0	0	0	111.7	L30 I31 A32 L36 R37 N38 F41 L42	L30-W34 VanDerWaalsContact O-CB 3.22Å; L30-W34 WeakPolarHBondContact O-CB 3.28Å; L30-W34 PolarHBondContact O-N 2.98Å; I31-W34 CarbonylContact O-C 3.59Å; I31-W34 PolarHBondContact O-N 3.38Å; A32-W34 PolarHBondContact O-N 3.03Å; W34-L36 VanDerWaalsContact C-N 3.33Å; W34-L36 PolarHBondContact O-N 2.9Å; W34-R37 PolarHBondContact O-N 2.94Å; W34-N38 HydrophobicContact CD2-CB 4.48Å; W34-N38 HydrophobicContact CH2-CB 4.49Å; W34-N38 HydrophobicContact CZ2-CB 4.27Å; W34-N38 PolarHBondContact NE1-ND2 3.43Å; W34-N38 WeakPolarHBondContact O-CB 3.49Å; W34-N38 PolarHBondContact O-N 3.02Å; W34-N38 PolarHBondContact O-ND2 3.2Å; W34-F41 HydrophobicContact CH2-CD1 4.21Å; W34-F41 HydrophobicContact CH2-CE1 4.37Å; W34-L42 HydrophobicContact CZ3-CD1 4.44Å; W34-L42 HydrophobicContact CZ3-CD2 4.05Å; W34-L42 HydrophobicContact CZ3-CG 4.33Å
35	C	83	Confident	85.1	Confident	40 Å²	40	82.7 Å²	82.7	27%	0.27	40%	0.404	S	S	.	.	H	α-helix	trans	-61.5	-40.9	176.3	-72.1	0	0	0	0	111.5	I31 A32 N38 R39 L42	I31-C35 VanDerWaalsContact O-CB 3.32Å; I31-C35 WeakPolarHBondContact O-CB 3.23Å; I31-C35 PolarHBondContact O-N 3.48Å; I31-C35 PolarHBondContact O-SG 3.21Å; A32-C35 PolarHBondContact O-N 2.85Å; C35-N38 CarbonylContact O-C 3.54Å; C35-N38 PolarHBondContact O-N 3.43Å; C35-R39 WeakPolarHBondContact O-CA 3.49Å; C35-R39 VanDerWaalsContact O-CG 3.23Å; C35-R39 WeakPolarHBondContact O-CG 3.42Å; C35-R39 PolarHBondContact O-N 3.04Å; C35-L42 HydrophobicContact CB-CD1 3.63Å
36	L	82.5	Confident	85.7	Confident	100 Å²	100	82.9 Å²	82.9	52%	0.524	41%	0.405	S	S	.	.	H	α-helix	trans	-63.5	-43	175.3	-74.3	169.6	0	0	0	111.7	A32 S33 W34 R39	A32-L36 WeakPolarHBondContact O-CB 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.33Å; A32-L36 PolarHBondContact O-N 2.91Å; S33-L36 PolarHBondContact O-N 3.36Å; W34-L36 VanDerWaalsContact C-N 3.33Å; W34-L36 PolarHBondContact O-N 2.9Å; L36-R39 VanDerWaalsContact CD2-CZ 3.47Å; L36-R39 WeakPolarHBondContact O-CG 3.45Å
37	R	85.4	Confident	86.1	Confident	211 Å²	211	84.4 Å²	84.4	80%	0.796	40%	0.404	S	S	*	.	H	α-helix	trans	-71.8	-27.6	177	-76.6	-179.5	177.4	178.2	0.5	113.5	S33 W34	S33-R37 WeakPolarHBondContact O-CB 3.46Å; S33-R37 WeakPolarHBondContact O-CG 3.47Å; S33-R37 PolarHBondContact O-N 2.93Å; W34-R37 PolarHBondContact O-N 2.94Å
38	N	86.5	Confident	86.8	Confident	56 Å²	56	83.9 Å²	83.9	30%	0.299	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	27.6	-174.8	-63.6	-84.3	0	0	0	112.6	W34 C35 D40 F41 L42	W34-N38 HydrophobicContact CD2-CB 4.48Å; W34-N38 HydrophobicContact CH2-CB 4.49Å; W34-N38 HydrophobicContact CZ2-CB 4.27Å; W34-N38 PolarHBondContact NE1-ND2 3.43Å; W34-N38 WeakPolarHBondContact O-CB 3.49Å; W34-N38 PolarHBondContact O-N 3.02Å; W34-N38 PolarHBondContact O-ND2 3.2Å; C35-N38 CarbonylContact O-C 3.54Å; C35-N38 PolarHBondContact O-N 3.43Å; N38-D40 PolarHBondContact O-N 3.49Å; N38-F41 HydrophobicContact CB-CB 4.3Å; N38-F41 WeakPolarHBondContact O-CB 3.37Å; N38-F41 PolarHBondContact O-N 3.49Å; N38-L42 PolarHBondContact O-N 3.1Å
39	R	86.1	Confident	87.2	Confident	165 Å²	165	82.8 Å²	82.8	62%	0.623	40%	0.396	S	S	*	.	H	α-helix	trans	-51.6	-42.4	-179.1	-78.9	179.5	172.1	-175.7	-1.9	112.7	C35 L36 L42 R43	C35-R39 WeakPolarHBondContact O-CA 3.49Å; C35-R39 VanDerWaalsContact O-CG 3.23Å; C35-R39 WeakPolarHBondContact O-CG 3.42Å; C35-R39 PolarHBondContact O-N 3.04Å; L36-R39 VanDerWaalsContact CD2-CZ 3.47Å; L36-R39 WeakPolarHBondContact O-CG 3.45Å; R39-L42 PolarHBondContact O-N 3.3Å; R39-R43 WeakPolarHBondContact O-CB 3.45Å; R39-R43 PolarHBondContact O-N 2.75Å
40	D	87.9	Confident	87.7	Confident	120 Å²	120	84.1 Å²	84.1	64%	0.642	40%	0.403	S	S	*	.	H	α-helix	trans	-67.6	-37.4	179.5	-67.2	-25.9	0	0	0	112.6	N38 R44	N38-D40 PolarHBondContact O-N 3.49Å; D40-R44 VanDerWaalsContact O-CG 3.29Å; D40-R44 WeakPolarHBondContact O-CG 3.4Å; D40-R44 PolarHBondContact O-N 2.83Å; D40-R44 VanDerWaalsContact O-N 3.1Å; D40-R44 PolarHBondContact O-NE 3.22Å
41	F	88.2	Confident	87.9	Confident	43 Å²	43	80.3 Å²	80.3	19%	0.189	38%	0.383	C	S	.	.	H	α-helix	trans	-65.9	-45.2	173.2	175.5	-98.7	0	0	0	110.8	W34 N38 R43 R44 A45 I414 Y415	W34-F41 HydrophobicContact CH2-CD1 4.21Å; W34-F41 HydrophobicContact CH2-CE1 4.37Å; N38-F41 HydrophobicContact CB-CB 4.3Å; N38-F41 WeakPolarHBondContact O-CB 3.37Å; N38-F41 PolarHBondContact O-N 3.49Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 3.24Å; F41-R44 PolarHBondContact O-N 2.77Å; F41-A45 HydrophobicContact CE1-CB 4.37Å; F41-A45 VanDerWaalsContact O-CB 3.24Å; F41-A45 WeakPolarHBondContact O-CB 3.31Å; F41-A45 PolarHBondContact O-N 3.24Å; F41-I414 HydrophobicContact CE2-CD1 4.17Å; F41-I414 HydrophobicContact CE2-CG1 4.29Å; F41-Y415 HydrophobicContact CZ-CD1 4.34Å
42	L	87.6	Confident	88.3	Confident	54 Å²	54	77.6 Å²	77.6	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-42	177.9	-75.6	171.6	0	0	0	112.4	W34 C35 N38 R39 A45 L46	W34-L42 HydrophobicContact CZ3-CD1 4.44Å; W34-L42 HydrophobicContact CZ3-CD2 4.05Å; W34-L42 HydrophobicContact CZ3-CG 4.33Å; C35-L42 HydrophobicContact CB-CD1 3.63Å; N38-L42 PolarHBondContact O-N 3.1Å; R39-L42 PolarHBondContact O-N 3.3Å; L42-A45 PolarHBondContact O-N 3.25Å; L42-L46 WeakPolarHBondContact O-CB 3.26Å; L42-L46 WeakPolarHBondContact O-CG 3.24Å; L42-L46 PolarHBondContact O-N 3.31Å
43	R	90.5	Very high	88.7	Confident	181 Å²	181	80.3 Å²	80.3	68%	0.683	38%	0.376	S	S	*	.	H	α-helix	trans	-60.6	-47.1	175.5	-176.9	-179.7	175.8	178.3	-0.2	111.5	R39 F41 Y47	R39-R43 WeakPolarHBondContact O-CB 3.45Å; R39-R43 PolarHBondContact O-N 2.75Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 3.24Å; R43-Y47 WeakPolarHBondContact O-CB 3.11Å; R43-Y47 PolarHBondContact O-N 3.35Å; R43-Y47 VanDerWaalsContact O-N 3.08Å
44	R	92.3	Very high	89	Confident	51 Å²	51	82 Å²	82	19%	0.192	38%	0.378	C	S	.	.	H	α-helix	trans	-65	-42.3	177	-70.1	-178.7	-66.5	150.6	-12.5	111.6	D40 F41 Y47 T48 I414 E503 Y504	D40-R44 VanDerWaalsContact O-CG 3.29Å; D40-R44 WeakPolarHBondContact O-CG 3.4Å; D40-R44 PolarHBondContact O-N 2.83Å; D40-R44 VanDerWaalsContact O-N 3.1Å; D40-R44 PolarHBondContact O-NE 3.22Å; F41-R44 PolarHBondContact O-N 2.77Å; R44-Y47 WeakPolarHBondContact O-CB 3.48Å; R44-Y47 PolarHBondContact O-N 3.25Å; R44-T48 WeakPolarHBondContact O-CG2 3.26Å; R44-T48 PolarHBondContact O-N 2.9Å; R44-T48 PolarHBondContact O-OG1 3.21Å; R44-I414 HydrophobicContact CB-CD1 3.89Å; R44-E503 WeakPolarHBondContact CD-O 3.45Å; R44-E503 PolarHBondContact NH1-O 2.8Å; R44-Y504 HydrophobicContact CB-CD1 4.3Å; R44-Y504 HydrophobicContact CB-CE1 4.4Å; R44-Y504 HydrophobicContact CG-CD1 3.97Å; R44-Y504 HydrophobicContact CG-CE1 3.73Å
45	A	89.9	Confident	89.2	Confident	8 Å²	8	79.2 Å²	79.2	7%	0.066	37%	0.369	C	S	.	.	H	α-helix	trans	-57.4	-51.3	176.3	0	0	0	0	0	111.2	F41 L42 Y47 T48 L49 I414 Y415	F41-A45 HydrophobicContact CE1-CB 4.37Å; F41-A45 VanDerWaalsContact O-CB 3.24Å; F41-A45 WeakPolarHBondContact O-CB 3.31Å; F41-A45 PolarHBondContact O-N 3.24Å; L42-A45 PolarHBondContact O-N 3.25Å; A45-Y47 VanDerWaalsContact C-N 3.3Å; A45-Y47 PolarHBondContact O-N 3.1Å; A45-T48 PolarHBondContact O-N 3.08Å; A45-L49 VanDerWaalsContact O-CB 3.26Å; A45-L49 WeakPolarHBondContact O-CB 3.38Å; A45-L49 PolarHBondContact O-N 3.33Å; A45-I414 HydrophobicContact CB-CD1 4.43Å; A45-Y415 VanDerWaalsContact CA-OH 3.31Å; A45-Y415 WeakPolarHBondContact CA-OH 3.49Å; A45-Y415 HydrophobicContact CB-CE1 3.75Å; A45-Y415 WeakPolarHBondContact CB-OH 3.49Å; A45-Y415 PolarHBondContact O-OH 3.26Å
46	L	90.2	Very high	89.5	Confident	126 Å²	126	80 Å²	80	66%	0.66	37%	0.37	S	S	*	.	H	α-helix	trans	-59.5	-40.5	176.7	-73.2	168.5	0	0	0	112.4	L42	L42-L46 WeakPolarHBondContact O-CB 3.26Å; L42-L46 WeakPolarHBondContact O-CG 3.24Å; L42-L46 PolarHBondContact O-N 3.31Å
47	Y	91.8	Very high	89.9	Confident	142 Å²	142	77.7 Å²	77.7	56%	0.557	36%	0.362	S	S	*	.	H	α-helix	trans	-65	-42	177.7	-178.1	-97.7	0	0	0	112.6	R43 R44 A45 Y504	R43-Y47 WeakPolarHBondContact O-CB 3.11Å; R43-Y47 PolarHBondContact O-N 3.35Å; R43-Y47 VanDerWaalsContact O-N 3.08Å; R44-Y47 WeakPolarHBondContact O-CB 3.48Å; R44-Y47 PolarHBondContact O-N 3.25Å; A45-Y47 VanDerWaalsContact C-N 3.3Å; A45-Y47 PolarHBondContact O-N 3.1Å; Y47-Y504 AromaticContact CD1-CD1 3.61Å; Y47-Y504 HydrophobicContact CD1-CD1 3.61Å; Y47-Y504 AromaticContact CD1-CE1 3.89Å; Y47-Y504 HydrophobicContact CD1-CE1 3.89Å; Y47-Y504 HydrophobicContact CD1-CG 4.49Å; Y47-Y504 HydrophobicContact CE1-CD1 4.12Å; Y47-Y504 HydrophobicContact CE1-CE1 4.4Å; Y47-Y504 HydrophobicContact CG-CD1 4.42Å; Y47-Y504 HydrophobicContact CG-CE1 4.33Å
48	T	92.7	Very high	90.2	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-88.5	-15.1	-176.3	68.6	0	0	0	0	113.6	R44 A45 P50 R51 D52 Y504	R44-T48 WeakPolarHBondContact O-CG2 3.26Å; R44-T48 PolarHBondContact O-N 2.9Å; R44-T48 PolarHBondContact O-OG1 3.21Å; A45-T48 PolarHBondContact O-N 3.08Å; T48-P50 VanDerWaalsContact C-CD 3.49Å; T48-R51 WeakPolarHBondContact O-CB 3.29Å; T48-R51 PolarHBondContact O-N 2.92Å; T48-R51 VanDerWaalsContact O-N 3.08Å; T48-D52 VanDerWaalsContact CB-OD2 3.29Å; T48-D52 WeakPolarHBondContact CB-OD2 3.04Å; T48-D52 PolarHBondContact O-N 3.36Å; T48-D52 PolarHBondContact OG1-OD2 2.6Å; T48-Y504 HydrophobicContact CG2-CD1 4.24Å; T48-Y504 WeakPolarHBondContact CG2-O 3.13Å
49	L	91.5	Very high	90.3	Very high	71 Å²	71	66.5 Å²	66.5	37%	0.372	32%	0.319	S	S	.	.	H	α-helix	trans	-51.2	-45.8	-175.4	-176	64.3	0	0	0	113.8	A45 R51 D52 I53 Y415	A45-L49 VanDerWaalsContact O-CB 3.26Å; A45-L49 WeakPolarHBondContact O-CB 3.38Å; A45-L49 PolarHBondContact O-N 3.33Å; L49-R51 PolarHBondContact O-N 3.43Å; L49-D52 PolarHBondContact O-N 2.88Å; L49-I53 HydrophobicContact CD1-CD1 3.84Å; L49-I53 HydrophobicContact CD1-CG1 4Å; L49-I53 HydrophobicContact CD2-CD1 4.42Å; L49-I53 HydrophobicContact CG-CD1 3.73Å; L49-I53 HydrophobicContact CG-CG1 4.3Å; L49-I53 WeakPolarHBondContact O-CB 3.5Å; L49-I53 VanDerWaalsContact O-CG1 3.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 3.41Å; L49-Y415 HydrophobicContact CD1-CE2 4.48Å
50	P	92.1	Very high	90.5	Very high	90 Å²	90	61.3 Å²	61.3	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-42.5	178.7	-22.7	34.7	0	0	0	113.1	T48 K54	T48-P50 VanDerWaalsContact C-CD 3.49Å; P50-K54 WeakPolarHBondContact O-CB 3.4Å; P50-K54 PolarHBondContact O-N 3.04Å
51	R	92	Very high	90.7	Very high	9 Å²	9	61.1 Å²	61.1	3%	0.034	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-49.8	175.5	170.7	-166.4	75.9	176.3	4.5	110.8	T48 L49 K54 G55 D403 F411 Y504	T48-R51 WeakPolarHBondContact O-CB 3.29Å; T48-R51 PolarHBondContact O-N 2.92Å; T48-R51 VanDerWaalsContact O-N 3.08Å; L49-R51 PolarHBondContact O-N 3.43Å; R51-K54 WeakPolarHBondContact O-CB 3.49Å; R51-K54 PolarHBondContact O-N 3.24Å; R51-G55 PolarHBondContact O-N 3.06Å; R51-D403 VanDerWaalsContact CB-OD2 3.25Å; R51-D403 WeakPolarHBondContact CB-OD2 3.49Å; R51-D403 WeakPolarHBondContact CD-OD2 3.42Å; R51-D403 WeakPolarHBondContact CG-OD2 3.44Å; R51-F411 HydrophobicContact CG-CD1 4.06Å; R51-F411 HydrophobicContact CG-CD2 4.31Å; R51-F411 HydrophobicContact CG-CE1 3.75Å; R51-F411 HydrophobicContact CG-CE2 4.01Å; R51-F411 HydrophobicContact CG-CG 4.34Å; R51-F411 HydrophobicContact CG-CZ 3.71Å; R51-Y504 VanDerWaalsContact CZ-O 3.32Å; R51-Y504 PolarHBondContact NH1-O 3.26Å; R51-Y504 PolarHBondContact NH2-O 3.2Å
52	D	90.1	Very high	90.8	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-41.9	-177.4	-78.6	-101.3	0	0	0	111.3	T48 L49 K54 G55 I56 T413 Y415	T48-D52 VanDerWaalsContact CB-OD2 3.29Å; T48-D52 WeakPolarHBondContact CB-OD2 3.04Å; T48-D52 PolarHBondContact O-N 3.36Å; T48-D52 PolarHBondContact OG1-OD2 2.6Å; L49-D52 PolarHBondContact O-N 2.88Å; D52-K54 PolarHBondContact O-N 2.89Å; D52-G55 PolarHBondContact O-N 3.3Å; D52-I56 WeakPolarHBondContact O-CB 3.22Å; D52-I56 WeakPolarHBondContact O-CD1 3.41Å; D52-I56 WeakPolarHBondContact O-CG1 3.48Å; D52-I56 PolarHBondContact O-N 3.48Å; D52-T413 VanDerWaalsContact OD1-CA 3.24Å; D52-T413 WeakPolarHBondContact OD1-CA 3.28Å; D52-T413 WeakPolarHBondContact OD1-CB 3.29Å; D52-T413 PolarHBondContact OD1-OG1 3.33Å; D52-Y415 HydrophobicContact CB-CD2 4.31Å; D52-Y415 HydrophobicContact CB-CE2 4.01Å
53	I	91.5	Very high	90.8	Very high	100 Å²	100	59.7 Å²	59.7	51%	0.513	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-46.9	173.1	-70.8	170.6	0	0	0	110.8	L49 I56 S57	L49-I53 HydrophobicContact CD1-CD1 3.84Å; L49-I53 HydrophobicContact CD1-CG1 4Å; L49-I53 HydrophobicContact CD2-CD1 4.42Å; L49-I53 HydrophobicContact CG-CD1 3.73Å; L49-I53 HydrophobicContact CG-CG1 4.3Å; L49-I53 WeakPolarHBondContact O-CB 3.5Å; L49-I53 VanDerWaalsContact O-CG1 3.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 3.41Å; I53-I56 PolarHBondContact O-N 2.92Å; I53-S57 WeakPolarHBondContact O-CB 3.5Å; I53-S57 PolarHBondContact O-N 2.8Å
54	K	91.1	Very high	90.9	Very high	87 Å²	87	58.8 Å²	58.8	38%	0.378	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-46.4	177	-177.2	-179.1	174.6	-171.3	0	111	P50 R51 D52 I56 S57 V58	P50-K54 WeakPolarHBondContact O-CB 3.4Å; P50-K54 PolarHBondContact O-N 3.04Å; R51-K54 WeakPolarHBondContact O-CB 3.49Å; R51-K54 PolarHBondContact O-N 3.24Å; D52-K54 PolarHBondContact O-N 2.89Å; K54-I56 PolarHBondContact O-N 2.92Å; K54-S57 WeakPolarHBondContact O-CB 3.14Å; K54-S57 PolarHBondContact O-N 2.88Å; K54-V58 WeakPolarHBondContact O-CG2 3.35Å; K54-V58 PolarHBondContact O-N 2.91Å
55	G	89.9	Confident	90.9	Very high	7 Å²	7	58.5 Å²	58.5	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-44.1	178.1	0	0	0	0	0	113.1	R51 D52 V58 L59	R51-G55 PolarHBondContact O-N 3.06Å; D52-G55 PolarHBondContact O-N 3.3Å; G55-V58 PolarHBondContact O-N 2.87Å; G55-L59 WeakPolarHBondContact O-CB 3.4Å; G55-L59 PolarHBondContact O-N 3.49Å
56	I	89.3	Confident	90.7	Very high	56 Å²	56	58.4 Å²	58.4	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-42.9	176.8	-67	161.7	0	0	0	110.7	D52 I53 K54 V58 L59 A60 L418 Y422	D52-I56 WeakPolarHBondContact O-CB 3.22Å; D52-I56 WeakPolarHBondContact O-CD1 3.41Å; D52-I56 WeakPolarHBondContact O-CG1 3.48Å; D52-I56 PolarHBondContact O-N 3.48Å; I53-I56 PolarHBondContact O-N 2.92Å; K54-I56 PolarHBondContact O-N 2.92Å; I56-V58 PolarHBondContact O-N 2.82Å; I56-L59 PolarHBondContact O-N 3.08Å; I56-A60 WeakPolarHBondContact O-CB 3.25Å; I56-A60 PolarHBondContact O-N 2.61Å; I56-L418 HydrophobicContact CD1-CD1 3.65Å; I56-Y422 HydrophobicContact CG1-CE2 4.44Å
57	S	91.9	Very high	90.7	Very high	52 Å²	52	58.1 Å²	58.1	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-46	176.5	-177.5	0	0	0	0	111.7	I53 K54 A60 K61	I53-S57 WeakPolarHBondContact O-CB 3.5Å; I53-S57 PolarHBondContact O-N 2.8Å; K54-S57 WeakPolarHBondContact O-CB 3.14Å; K54-S57 PolarHBondContact O-N 2.88Å; S57-A60 PolarHBondContact O-N 3.12Å; S57-K61 WeakPolarHBondContact O-CG 3.48Å; S57-K61 PolarHBondContact O-N 2.9Å
58	V	90.5	Very high	90.7	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-49.7	175.1	168.9	0	0	0	0	110.6	K54 G55 I56 A60 K61 V62 L276 S277 M402	K54-V58 WeakPolarHBondContact O-CG2 3.35Å; K54-V58 PolarHBondContact O-N 2.91Å; G55-V58 PolarHBondContact O-N 2.87Å; I56-V58 PolarHBondContact O-N 2.82Å; V58-A60 VanDerWaalsContact C-N 3.28Å; V58-A60 PolarHBondContact O-N 3.01Å; V58-K61 PolarHBondContact O-N 2.86Å; V58-K61 VanDerWaalsContact O-N 3.14Å; V58-V62 HydrophobicContact CG1-CG2 4.32Å; V58-V62 WeakPolarHBondContact O-CG2 3.44Å; V58-V62 PolarHBondContact O-N 3.33Å; V58-L276 HydrophobicContact CG1-CB 4.39Å; V58-S277 WeakPolarHBondContact CG1-OG 2.97Å; V58-M402 HydrophobicContact CG2-SD 4.43Å
59	L	88.6	Confident	90.7	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-41.2	-179.9	-177.3	62	0	0	0	111.6	G55 I56 V62 Q63 L398 Y422 V465	G55-L59 WeakPolarHBondContact O-CB 3.4Å; G55-L59 PolarHBondContact O-N 3.49Å; I56-L59 PolarHBondContact O-N 3.08Å; L59-V62 PolarHBondContact O-N 3.38Å; L59-Q63 HydrophobicContact CD1-CG 4.42Å; L59-Q63 WeakPolarHBondContact O-CB 3.3Å; L59-Q63 WeakPolarHBondContact O-CG 3.27Å; L59-Q63 PolarHBondContact O-N 3.43Å; L59-L398 HydrophobicContact CD1-CD2 3.94Å; L59-L398 HydrophobicContact CD2-CD2 4.4Å; L59-Y422 HydrophobicContact CD2-CD1 4.43Å; L59-Y422 HydrophobicContact CD2-CE1 3.88Å; L59-V465 HydrophobicContact CD1-CG1 4.4Å
60	A	90.3	Very high	90.6	Very high	57 Å²	57	53.1 Å²	53.1	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.6	0	0	0	0	0	111.8	I56 S57 V58 V62 Q63 W64	I56-A60 WeakPolarHBondContact O-CB 3.25Å; I56-A60 PolarHBondContact O-N 2.61Å; S57-A60 PolarHBondContact O-N 3.12Å; V58-A60 VanDerWaalsContact C-N 3.28Å; V58-A60 PolarHBondContact O-N 3.01Å; A60-V62 PolarHBondContact O-N 3.23Å; A60-Q63 PolarHBondContact O-N 2.91Å; A60-W64 VanDerWaalsContact O-CB 3.28Å; A60-W64 WeakPolarHBondContact O-CB 3.23Å; A60-W64 PolarHBondContact O-N 3.3Å
61	K	92.7	Very high	90.5	Very high	116 Å²	116	57.9 Å²	57.9	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-42.3	176.2	-70.5	173.4	-175.8	179.3	0	112.2	S57 V58 W64 F65 L276	S57-K61 WeakPolarHBondContact O-CG 3.48Å; S57-K61 PolarHBondContact O-N 2.9Å; V58-K61 PolarHBondContact O-N 2.86Å; V58-K61 VanDerWaalsContact O-N 3.14Å; K61-W64 PolarHBondContact O-N 3.48Å; K61-F65 WeakPolarHBondContact O-CB 3.19Å; K61-F65 PolarHBondContact O-N 3.07Å; K61-L276 HydrophobicContact CB-CD1 3.9Å
62	V	89.8	Confident	90.4	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-45.1	177	172.6	0	0	0	0	110.9	V58 L59 A60 W64 F65 N66 M269 L276 V465	V58-V62 HydrophobicContact CG1-CG2 4.32Å; V58-V62 WeakPolarHBondContact O-CG2 3.44Å; V58-V62 PolarHBondContact O-N 3.33Å; L59-V62 PolarHBondContact O-N 3.38Å; A60-V62 PolarHBondContact O-N 3.23Å; V62-W64 VanDerWaalsContact C-N 3.35Å; V62-F65 PolarHBondContact O-N 3.26Å; V62-N66 PolarHBondContact O-N 2.8Å; V62-N66 PolarHBondContact O-ND2 3.14Å; V62-M269 HydrophobicContact CG1-CG 4.45Å; V62-L276 HydrophobicContact CG2-CB 4.31Å; V62-L276 HydrophobicContact CG2-CD1 3.77Å; V62-V465 HydrophobicContact CG1-CG2 4.32Å
63	Q	88.1	Confident	90.5	Very high	63 Å²	63	64.5 Å²	64.5	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-40.3	177	-74.7	-174.3	27.3	0	0	111.8	L59 A60 N66 Y67 V465	L59-Q63 HydrophobicContact CD1-CG 4.42Å; L59-Q63 WeakPolarHBondContact O-CB 3.3Å; L59-Q63 WeakPolarHBondContact O-CG 3.27Å; L59-Q63 PolarHBondContact O-N 3.43Å; A60-Q63 PolarHBondContact O-N 2.91Å; Q63-N66 PolarHBondContact O-N 3.41Å; Q63-Y67 WeakPolarHBondContact O-CB 3.27Å; Q63-Y67 PolarHBondContact O-N 3.03Å; Q63-V465 HydrophobicContact CG-CG2 4.3Å
64	W	91.7	Very high	90.5	Very high	163 Å²	163	63.3 Å²	63.3	62%	0.617	31%	0.309	S	S	*	.	H	α-helix	trans	-62.5	-46.8	176.2	-176.6	-107.2	0	0	0	112.2	A60 K61 V62 N66 Y67 I68	A60-W64 VanDerWaalsContact O-CB 3.28Å; A60-W64 WeakPolarHBondContact O-CB 3.23Å; A60-W64 PolarHBondContact O-N 3.3Å; K61-W64 PolarHBondContact O-N 3.48Å; V62-W64 VanDerWaalsContact C-N 3.35Å; W64-N66 VanDerWaalsContact C-N 3.33Å; W64-N66 PolarHBondContact O-N 3.49Å; W64-Y67 HydrophobicContact CE3-CD1 4.37Å; W64-Y67 HydrophobicContact CZ3-CD1 4.23Å; W64-Y67 WeakPolarHBondContact O-CB 3.3Å; W64-Y67 PolarHBondContact O-N 3.41Å; W64-I68 HydrophobicContact CD2-CD1 4.44Å; W64-I68 HydrophobicContact CG-CD1 4.48Å; W64-I68 HydrophobicContact CZ2-CD1 4.13Å; W64-I68 VanDerWaalsContact NE1-CD1 3.25Å; W64-I68 PolarHBondContact O-N 3.45Å
65	F	92.4	Very high	90.7	Very high	45 Å²	45	59.2 Å²	59.2	20%	0.197	29%	0.291	C	S	.	.	H	α-helix	trans	-56.8	-47.4	174	172.1	-92.9	0	0	0	111.4	K61 V62 Y67 I68 A69 L79 M268 N272 V307	K61-F65 WeakPolarHBondContact O-CB 3.19Å; K61-F65 PolarHBondContact O-N 3.07Å; V62-F65 PolarHBondContact O-N 3.26Å; F65-Y67 VanDerWaalsContact C-N 3.33Å; F65-Y67 PolarHBondContact O-N 2.9Å; F65-I68 PolarHBondContact O-N 3.3Å; F65-A69 HydrophobicContact CE1-CB 4.5Å; F65-A69 VanDerWaalsContact O-CB 3.29Å; F65-A69 WeakPolarHBondContact O-CB 3.32Å; F65-A69 PolarHBondContact O-N 2.87Å; F65-L79 HydrophobicContact CZ-CD2 3.97Å; F65-M268 HydrophobicContact CE1-CB 4.08Å; F65-M268 HydrophobicContact CZ-CB 4.46Å; F65-N272 HydrophobicContact CD1-CB 4.18Å; F65-N272 VanDerWaalsContact CD1-ND2 3.32Å; F65-N272 WeakPolarHBondContact CD1-ND2 3.35Å; F65-N272 HydrophobicContact CE1-CB 3.98Å; F65-N272 WeakPolarHBondContact CG-ND2 3.38Å; F65-N272 HydrophobicContact CZ-CB 4.31Å; F65-V307 HydrophobicContact CZ-CG1 4.44Å
66	N	87.5	Confident	91	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.027	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-37.2	178.3	-79.9	-70.5	0	0	0	112.5	V62 Q63 W64 A69 A70	V62-N66 PolarHBondContact O-N 2.8Å; V62-N66 PolarHBondContact O-ND2 3.14Å; Q63-N66 PolarHBondContact O-N 3.41Å; W64-N66 VanDerWaalsContact C-N 3.33Å; W64-N66 PolarHBondContact O-N 3.49Å; N66-A69 PolarHBondContact O-N 3.17Å; N66-A70 VanDerWaalsContact O-CB 3.25Å; N66-A70 WeakPolarHBondContact O-CB 3.42Å; N66-A70 PolarHBondContact O-N 3.45Å
67	Y	89.7	Confident	91.3	Very high	120 Å²	120	56.3 Å²	56.3	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-47.5	175.2	173.7	-98.6	0	0	0	111.4	Q63 W64 F65 A70 R71	Q63-Y67 WeakPolarHBondContact O-CB 3.27Å; Q63-Y67 PolarHBondContact O-N 3.03Å; W64-Y67 HydrophobicContact CE3-CD1 4.37Å; W64-Y67 HydrophobicContact CZ3-CD1 4.23Å; W64-Y67 WeakPolarHBondContact O-CB 3.3Å; W64-Y67 PolarHBondContact O-N 3.41Å; F65-Y67 VanDerWaalsContact C-N 3.33Å; F65-Y67 PolarHBondContact O-N 2.9Å; Y67-A70 PolarHBondContact O-N 3.45Å; Y67-R71 WeakPolarHBondContact O-CB 3.32Å; Y67-R71 PolarHBondContact O-N 2.92Å; Y67-R71 PolarHBondContact OH-NH1 3.28Å
68	I	92.3	Very high	91.4	Very high	65 Å²	65	56 Å²	56	33%	0.333	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-48.3	175.4	-67.3	174.9	0	0	0	110.5	W64 F65 A70 R71 C72	W64-I68 HydrophobicContact CD2-CD1 4.44Å; W64-I68 HydrophobicContact CG-CD1 4.48Å; W64-I68 HydrophobicContact CZ2-CD1 4.13Å; W64-I68 VanDerWaalsContact NE1-CD1 3.25Å; W64-I68 PolarHBondContact O-N 3.45Å; F65-I68 PolarHBondContact O-N 3.3Å; I68-A70 VanDerWaalsContact C-N 3.28Å; I68-A70 PolarHBondContact O-N 2.78Å; I68-R71 PolarHBondContact O-N 2.92Å; I68-R71 VanDerWaalsContact O-N 3.15Å; I68-C72 WeakPolarHBondContact O-CB 3.35Å; I68-C72 PolarHBondContact O-N 2.81Å; I68-C72 PolarHBondContact O-SG 3.46Å
69	A	91.9	Very high	91.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-39.6	-179.9	0	0	0	0	0	111.8	F65 N66 N73 Y74 M268	F65-A69 HydrophobicContact CE1-CB 4.5Å; F65-A69 VanDerWaalsContact O-CB 3.29Å; F65-A69 WeakPolarHBondContact O-CB 3.32Å; F65-A69 PolarHBondContact O-N 2.87Å; N66-A69 PolarHBondContact O-N 3.17Å; A69-N73 CarbonylContact O-C 3.57Å; A69-N73 WeakPolarHBondContact O-CA 3.31Å; A69-N73 PolarHBondContact O-N 3.16Å; A69-N73 VanDerWaalsContact O-N 3.09Å; A69-Y74 HydrophobicContact CB-CD2 4.25Å; A69-Y74 PolarHBondContact O-N 3.33Å; A69-M268 HydrophobicContact CB-CE 4.37Å
70	A	89.7	Confident	92	Very high	44 Å²	44	55.9 Å²	55.9	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-67.5	-45.2	174.7	0	0	0	0	0	111.9	N66 Y67 I68 C72 N73	N66-A70 VanDerWaalsContact O-CB 3.25Å; N66-A70 WeakPolarHBondContact O-CB 3.42Å; N66-A70 PolarHBondContact O-N 3.45Å; Y67-A70 PolarHBondContact O-N 3.45Å; I68-A70 VanDerWaalsContact C-N 3.28Å; I68-A70 PolarHBondContact O-N 2.78Å; A70-C72 PolarHBondContact O-N 2.88Å; A70-N73 PolarHBondContact O-N 2.79Å; A70-N73 VanDerWaalsContact O-N 3.11Å
71	R	89.6	Confident	92.2	Very high	190 Å²	190	54.4 Å²	54.4	72%	0.717	25%	0.251	S	S	*	.	H	α-helix	trans	-64.5	-39	-179.5	-172.5	176	179.9	143.5	-0.8	112.4	Y67 I68 N73	Y67-R71 WeakPolarHBondContact O-CB 3.32Å; Y67-R71 PolarHBondContact O-N 2.92Å; Y67-R71 PolarHBondContact OH-NH1 3.28Å; I68-R71 PolarHBondContact O-N 2.92Å; I68-R71 VanDerWaalsContact O-N 3.15Å; R71-N73 VanDerWaalsContact C-N 3.26Å
72	C	90.7	Very high	92.3	Very high	65 Å²	65	51.1 Å²	51.1	44%	0.439	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	1.5	176.1	-61.9	0	0	0	0	113.1	I68 A70 Y74	I68-C72 WeakPolarHBondContact O-CB 3.35Å; I68-C72 PolarHBondContact O-N 2.81Å; I68-C72 PolarHBondContact O-SG 3.46Å; A70-C72 PolarHBondContact O-N 2.88Å; C72-Y74 HydrophobicContact CB-CD1 3.55Å; C72-Y74 HydrophobicContact CB-CE1 3.46Å; C72-Y74 VanDerWaalsContact CB-CE1 3.46Å; C72-Y74 HydrophobicContact CB-CE2 4.4Å; C72-Y74 HydrophobicContact CB-CG 4.13Å; C72-Y74 PolarHBondContact O-N 3.11Å
73	N	91.2	Very high	92.6	Very high	85 Å²	85	52 Å²	52	46%	0.455	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	43.6	-174.7	-163.8	33.5	0	0	0	113.1	A69 A70 R71 S75 G240 H241	A69-N73 CarbonylContact O-C 3.57Å; A69-N73 WeakPolarHBondContact O-CA 3.31Å; A69-N73 PolarHBondContact O-N 3.16Å; A69-N73 VanDerWaalsContact O-N 3.09Å; A70-N73 PolarHBondContact O-N 2.79Å; A70-N73 VanDerWaalsContact O-N 3.11Å; R71-N73 VanDerWaalsContact C-N 3.26Å; N73-S75 PolarHBondContact O-N 3.28Å; N73-G240 WeakPolarHBondContact OD1-CA 3.43Å; N73-H241 PolarHBondContact OD1-N 2.79Å
74	Y	92.5	Very high	93.1	Very high	75 Å²	75	49 Å²	49	29%	0.294	24%	0.241	S	C	.	.			trans	-65.3	132	178.6	-75.9	-7	0	0	0	110.9	A69 C72 L78 L79 H241 M268	A69-Y74 HydrophobicContact CB-CD2 4.25Å; A69-Y74 PolarHBondContact O-N 3.33Å; C72-Y74 HydrophobicContact CB-CD1 3.55Å; C72-Y74 HydrophobicContact CB-CE1 3.46Å; C72-Y74 VanDerWaalsContact CB-CE1 3.46Å; C72-Y74 HydrophobicContact CB-CE2 4.4Å; C72-Y74 HydrophobicContact CB-CG 4.13Å; C72-Y74 PolarHBondContact O-N 3.11Å; Y74-L78 HydrophobicContact CD1-CD2 3.37Å; Y74-L78 HydrophobicContact CD1-CG 4.29Å; Y74-L78 HydrophobicContact CE1-CD2 3.57Å; Y74-L78 HydrophobicContact CE1-CG 4.46Å; Y74-L78 HydrophobicContact CG-CD2 4.39Å; Y74-L79 HydrophobicContact CD2-CD1 4.2Å; Y74-L79 HydrophobicContact CE2-CD1 4.33Å; Y74-H241 VanDerWaalsContact O-CA 3.27Å; Y74-H241 WeakPolarHBondContact O-CA 3.44Å; Y74-H241 WeakPolarHBondContact O-CB 3.21Å; Y74-H241 PolarHBondContact O-ND1 3.28Å; Y74-M268 WeakPolarHBondContact O-CE 3.47Å
75	S	94.4	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.			trans	-105.7	164.4	164.6	58.3	0	0	0	0	108.9	N73 D77 L78 L79	N73-S75 PolarHBondContact O-N 3.28Å; S75-D77 VanDerWaalsContact C-N 3.31Å; S75-D77 WeakPolarHBondContact CB-OD1 3.17Å; S75-D77 PolarHBondContact O-N 2.64Å; S75-D77 VanDerWaalsContact OG-CG 3.3Å; S75-D77 PolarHBondContact OG-OD1 3.45Å; S75-D77 PolarHBondContact OG-OD2 3Å; S75-L78 PolarHBondContact O-N 3.49Å; S75-L79 PolarHBondContact O-N 3.43Å; S75-L79 VanDerWaalsContact O-N 3.09Å
76	V	96.2	Very high	93.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-40.9	-177.2	173.2	0	0	0	0	111.2	L79 F80 L145 L245 H264 Y267 M268 L306	V76-L79 PolarHBondContact O-N 3.42Å; V76-F80 VanDerWaalsContact O-CB 3.32Å; V76-F80 WeakPolarHBondContact O-CB 3.26Å; V76-F80 PolarHBondContact O-N 2.72Å; V76-L145 HydrophobicContact CG1-CD2 4.22Å; V76-L245 HydrophobicContact CB-CD2 4.34Å; V76-L245 HydrophobicContact CG2-CD2 3.76Å; V76-H264 HydrophobicContact CG2-CB 4.34Å; V76-H264 PolarHBondContact N-ND1 3.23Å; V76-H264 VanDerWaalsContact N-ND1 3.18Å; V76-Y267 HydrophobicContact CG1-CD1 4.27Å; V76-Y267 HydrophobicContact CG1-CE1 4.22Å; V76-Y267 HydrophobicContact CG2-CD1 3.61Å; V76-Y267 HydrophobicContact CG2-CE1 4.37Å; V76-Y267 HydrophobicContact CG2-CG 4.07Å; V76-M268 HydrophobicContact CG2-CG 3.65Å; V76-M268 HydrophobicContact CG2-SD 4.44Å; V76-L306 HydrophobicContact CG1-CB 4.4Å
77	D	95.5	Very high	93.9	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.011	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-41.7	176.7	57.9	-61.7	0	0	0	112.5	S75 F80 D81 L145 A148 R149	S75-D77 VanDerWaalsContact C-N 3.31Å; S75-D77 WeakPolarHBondContact CB-OD1 3.17Å; S75-D77 PolarHBondContact O-N 2.64Å; S75-D77 VanDerWaalsContact OG-CG 3.3Å; S75-D77 PolarHBondContact OG-OD1 3.45Å; S75-D77 PolarHBondContact OG-OD2 3Å; D77-F80 WeakPolarHBondContact O-CB 3.46Å; D77-F80 PolarHBondContact O-N 2.62Å; D77-D81 PolarHBondContact O-N 2.81Å; D77-L145 HydrophobicContact CB-CD2 4.43Å; D77-A148 HydrophobicContact CB-CB 4.11Å; D77-R149 HydrophobicContact CB-CG 3.79Å
78	L	94.3	Very high	94.3	Very high	47 Å²	47	54.8 Å²	54.8	25%	0.246	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-44.3	176.7	178.8	56.5	0	0	0	112.1	Y74 S75 F80 D81 G82 R237	Y74-L78 HydrophobicContact CD1-CD2 3.37Å; Y74-L78 HydrophobicContact CD1-CG 4.29Å; Y74-L78 HydrophobicContact CE1-CD2 3.57Å; Y74-L78 HydrophobicContact CE1-CG 4.46Å; Y74-L78 HydrophobicContact CG-CD2 4.39Å; S75-L78 PolarHBondContact O-N 3.49Å; L78-F80 PolarHBondContact O-N 3.02Å; L78-D81 PolarHBondContact O-N 2.7Å; L78-G82 PolarHBondContact O-N 2.86Å; L78-G82 VanDerWaalsContact O-N 3.14Å; L78-R237 VanDerWaalsContact CB-CZ 3.47Å; L78-R237 VanDerWaalsContact CB-NH1 3.33Å
79	L	94.3	Very high	94.5	Very high	28 Å²	28	58.4 Å²	58.4	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-41.8	179.3	-170.9	69.6	0	0	0	109.9	F65 Y74 S75 V76 D81 G82 I83 M268 V307	F65-L79 HydrophobicContact CZ-CD2 3.97Å; Y74-L79 HydrophobicContact CD2-CD1 4.2Å; Y74-L79 HydrophobicContact CE2-CD1 4.33Å; S75-L79 PolarHBondContact O-N 3.43Å; S75-L79 VanDerWaalsContact O-N 3.09Å; V76-L79 PolarHBondContact O-N 3.42Å; L79-D81 PolarHBondContact O-N 3.11Å; L79-G82 PolarHBondContact O-N 3.33Å; L79-I83 HydrophobicContact CG-CD1 4.41Å; L79-I83 WeakPolarHBondContact O-CG1 3.4Å; L79-I83 PolarHBondContact O-N 2.88Å; L79-I83 VanDerWaalsContact O-N 3.14Å; L79-M268 HydrophobicContact CB-SD 4.38Å; L79-M268 HydrophobicContact CD2-CG 4.34Å; L79-M268 HydrophobicContact CD2-SD 3.96Å; L79-V307 HydrophobicContact CD2-CB 4.17Å; L79-V307 HydrophobicContact CD2-CG1 3.55Å
80	F	96.7	Very high	94.8	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-42.2	174	-174	-96.3	0	0	0	112.3	V76 D77 L78 G82 I83 A84 F104 L107 Q108 L145 L306	V76-F80 VanDerWaalsContact O-CB 3.32Å; V76-F80 WeakPolarHBondContact O-CB 3.26Å; V76-F80 PolarHBondContact O-N 2.72Å; D77-F80 WeakPolarHBondContact O-CB 3.46Å; D77-F80 PolarHBondContact O-N 2.62Å; L78-F80 PolarHBondContact O-N 3.02Å; F80-G82 VanDerWaalsContact C-N 3.29Å; F80-G82 PolarHBondContact O-N 3.47Å; F80-I83 CarbonylContact O-C 3.53Å; F80-I83 WeakPolarHBondContact O-CB 2.9Å; F80-I83 PolarHBondContact O-N 3.34Å; F80-A84 HydrophobicContact CE1-CB 4.19Å; F80-A84 WeakPolarHBondContact O-CB 3.5Å; F80-A84 PolarHBondContact O-N 3.49Å; F80-F104 HydrophobicContact CD2-CD1 4.4Å; F80-F104 AromaticContact CE2-CD1 3.52Å; F80-F104 HydrophobicContact CE2-CD1 3.52Å; F80-F104 AromaticContact CE2-CE1 3.81Å; F80-F104 HydrophobicContact CE2-CE1 3.81Å; F80-F104 AromaticContact CZ-CD1 3.74Å; F80-F104 HydrophobicContact CZ-CD1 3.74Å; F80-F104 HydrophobicContact CZ-CE1 4.45Å; F80-L107 HydrophobicContact CE2-CD2 4.05Å; F80-L107 HydrophobicContact CZ-CB 4.06Å; F80-L107 HydrophobicContact CZ-CD2 3.72Å; F80-L107 HydrophobicContact CZ-CG 4.07Å; F80-Q108 HydrophobicContact CE1-CB 3.98Å; F80-L145 HydrophobicContact CB-CD2 3.75Å; F80-L145 HydrophobicContact CD1-CD1 3.57Å; F80-L145 HydrophobicContact CD1-CD2 4.15Å; F80-L145 HydrophobicContact CD2-CD1 4.09Å; F80-L145 HydrophobicContact CD2-CD2 4.43Å; F80-L145 HydrophobicContact CE1-CD1 3.63Å; F80-L145 HydrophobicContact CE2-CD1 4.12Å; F80-L145 HydrophobicContact CG-CD1 3.81Å; F80-L145 HydrophobicContact CG-CD2 3.84Å; F80-L145 HydrophobicContact CZ-CD1 3.92Å; F80-L306 HydrophobicContact CD2-CB 4.44Å; F80-L306 HydrophobicContact CD2-CD2 3.98Å; F80-L306 HydrophobicContact CE2-CD2 3.85Å
81	D	95.2	Very high	95.2	Very high	25 Å²	25	60.8 Å²	60.8	13%	0.134	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-39.5	177.1	-70.4	-22.5	0	0	0	112.4	D77 L78 L79 I83 K85 Q108 R149	D77-D81 PolarHBondContact O-N 2.81Å; L78-D81 PolarHBondContact O-N 2.7Å; L79-D81 PolarHBondContact O-N 3.11Å; D81-I83 VanDerWaalsContact C-N 3.33Å; D81-I83 PolarHBondContact O-N 2.95Å; D81-K85 WeakPolarHBondContact O-CB 3.43Å; D81-K85 PolarHBondContact O-N 3.26Å; D81-Q108 PolarHBondContact OD1-NE2 3.08Å; D81-R149 VanDerWaalsContact CG-NH1 3.29Å; D81-R149 IonicContact OD1-CZ 3.84Å; D81-R149 VanDerWaalsContact OD1-CZ 3.28Å; D81-R149 IonicContact OD1-NH1 2.59Å; D81-R149 PolarHBondContact OD1-NH1 2.98Å; D81-R149 IonicContact OD1-NH2 3.11Å; D81-R149 PolarHBondContact OD1-NH2 2.69Å; D81-R149 IonicContact OD2-CZ 3.88Å; D81-R149 IonicContact OD2-NH1 2.8Å; D81-R149 PolarHBondContact OD2-NH1 2.77Å; D81-R149 IonicContact OD2-NH2 3.24Å
82	G	95.5	Very high	95.6	Very high	47 Å²	47	51.7 Å²	51.7	49%	0.485	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-38.8	173.7	0	0	0	0	0	112.8	L78 L79 F80 K86	L78-G82 PolarHBondContact O-N 2.86Å; L78-G82 VanDerWaalsContact O-N 3.14Å; L79-G82 PolarHBondContact O-N 3.33Å; F80-G82 VanDerWaalsContact C-N 3.29Å; F80-G82 PolarHBondContact O-N 3.47Å; G82-K86 PolarHBondContact O-N 2.86Å
83	I	96.2	Very high	96	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.108	25%	0.246	C	C	.	.	H	α-helix	trans	-70.7	-45.8	177.6	-65.7	165	0	0	0	110.8	L79 F80 D81 K85 K86 Y87 F104 V307	L79-I83 HydrophobicContact CG-CD1 4.41Å; L79-I83 WeakPolarHBondContact O-CG1 3.4Å; L79-I83 PolarHBondContact O-N 2.88Å; L79-I83 VanDerWaalsContact O-N 3.14Å; F80-I83 CarbonylContact O-C 3.53Å; F80-I83 WeakPolarHBondContact O-CB 2.9Å; F80-I83 PolarHBondContact O-N 3.34Å; D81-I83 VanDerWaalsContact C-N 3.33Å; D81-I83 PolarHBondContact O-N 2.95Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 3.47Å; I83-K86 WeakPolarHBondContact O-CA 3.49Å; I83-K86 WeakPolarHBondContact O-CB 3.23Å; I83-K86 PolarHBondContact O-N 3.42Å; I83-Y87 HydrophobicContact CG2-CD2 4.32Å; I83-Y87 PolarHBondContact O-N 3.46Å; I83-F104 HydrophobicContact CG2-CD1 3.77Å; I83-F104 HydrophobicContact CG2-CE1 3.56Å; I83-F104 HydrophobicContact CG2-CZ 4.18Å; I83-V307 VanDerWaalsContact CD1-O 3.31Å; I83-V307 WeakPolarHBondContact CD1-O 3.27Å
84	A	97.2	Very high	96.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-39.5	179.7	0	0	0	0	0	111.7	F80 K86 Y87 P88 F104 Q108	F80-A84 HydrophobicContact CE1-CB 4.19Å; F80-A84 WeakPolarHBondContact O-CB 3.5Å; F80-A84 PolarHBondContact O-N 3.49Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 3.4Å; A84-Y87 CarbonylContact O-C 3.51Å; A84-Y87 PolarHBondContact O-N 3.2Å; A84-P88 VanDerWaalsContact O-CA 3.23Å; A84-P88 WeakPolarHBondContact O-CA 3.15Å; A84-P88 WeakPolarHBondContact O-CD 3.23Å; A84-P88 VanDerWaalsContact O-N 3.11Å; A84-F104 HydrophobicContact CB-CB 3.97Å; A84-Q108 HydrophobicContact CB-CB 4.23Å
85	K	96.9	Very high	96.5	Very high	184 Å²	184	42.1 Å²	42.1	80%	0.8	22%	0.215	S	C	*	.	H	α-helix	trans	-62.5	-33.2	172.4	-172.1	174.3	-178.1	177.4	0	113	D81 I83	D81-K85 WeakPolarHBondContact O-CB 3.43Å; D81-K85 PolarHBondContact O-N 3.26Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 3.47Å
86	K	96.7	Very high	96.5	Very high	140 Å²	140	42.6 Å²	42.6	61%	0.609	22%	0.219	S	C	*	.	H	α-helix	trans	-80	-35	-179.1	-169.2	178.5	-179.2	-163.3	0	112.7	G82 I83 A84	G82-K86 PolarHBondContact O-N 2.86Å; I83-K86 WeakPolarHBondContact O-CA 3.49Å; I83-K86 WeakPolarHBondContact O-CB 3.23Å; I83-K86 PolarHBondContact O-N 3.42Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 3.4Å
87	Y	95.6	Very high	96.3	Very high	84 Å²	84	45.9 Å²	45.9	33%	0.329	24%	0.237	S	C	.	.	S	Bend	trans	-132.5	56.4	-174.4	-56.1	-65.6	0	0	0	112.6	I83 A84 N89 K90 F104	I83-Y87 HydrophobicContact CG2-CD2 4.32Å; I83-Y87 PolarHBondContact O-N 3.46Å; A84-Y87 CarbonylContact O-C 3.51Å; A84-Y87 PolarHBondContact O-N 3.2Å; Y87-N89 VanDerWaalsContact C-N 3.35Å; Y87-N89 PolarHBondContact O-N 3.41Å; Y87-K90 PolarHBondContact O-N 3.26Å; Y87-F104 WeakPolarHBondContact O-CD2 3.39Å
88	P	97.3	Very high	96.1	Very high	46 Å²	46	51.2 Å²	51.2	30%	0.299	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-44.3	-168.6	22.4	-33.7	0	0	0	112.7	A84 T103 F104 D105	A84-P88 VanDerWaalsContact O-CA 3.23Å; A84-P88 WeakPolarHBondContact O-CA 3.15Å; A84-P88 WeakPolarHBondContact O-CD 3.23Å; A84-P88 VanDerWaalsContact O-N 3.11Å; P88-T103 WeakPolarHBondContact O-CB 3.29Å; P88-F104 PolarHBondContact O-N 2.67Å; P88-D105 HydrophobicContact CB-CB 4.13Å; P88-D105 PolarHBondContact O-N 3.21Å; P88-D105 VanDerWaalsContact O-N 3.15Å
89	N	97.9	Very high	95.8	Very high	142 Å²	142	59.7 Å²	59.7	76%	0.759	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.1	-174.4	-58	-27.4	0	0	0	113.9	Y87	Y87-N89 VanDerWaalsContact C-N 3.35Å; Y87-N89 PolarHBondContact O-N 3.41Å
90	K	97.6	Very high	95.8	Very high	54 Å²	54	60.3 Å²	60.3	24%	0.235	30%	0.298	C	S	.	.	S	Bend	trans	-75	137.2	178.9	-177.6	-177	178.3	-173.2	0	108.8	Y87 A92 T103 F104 P282 G309	Y87-K90 PolarHBondContact O-N 3.26Å; K90-A92 PolarHBondContact O-N 3.16Å; K90-T103 CarbonylContact O-C 3.11Å; K90-T103 VanDerWaalsContact O-CA 3.25Å; K90-T103 WeakPolarHBondContact O-CA 3.48Å; K90-F104 HydrophobicContact CB-CD2 3.97Å; K90-F104 HydrophobicContact CB-CE2 4.18Å; K90-F104 HydrophobicContact CD-CE2 3.98Å; K90-F104 HydrophobicContact CG-CD2 4.4Å; K90-F104 HydrophobicContact CG-CE2 4.1Å; K90-F104 VanDerWaalsContact O-CD2 3.26Å; K90-F104 WeakPolarHBondContact O-CD2 3.47Å; K90-F104 PolarHBondContact O-N 3.07Å; K90-F104 VanDerWaalsContact O-N 3.08Å; K90-P282 PolarHBondContact NZ-O 3.45Å; K90-G309 PolarHBondContact NZ-O 3.05Å
91	T	98.1	Very high	95.8	Very high	40 Å²	40	62.8 Å²	62.8	25%	0.245	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	123.4	171.5	-48.5	0	0	0	0	110.2	E94 A101 T311	T91-E94 HydrophobicContact CG2-CB 4.15Å; T91-A101 HydrophobicContact CG2-CB 4.24Å; T91-T311 HydrophobicContact CG2-CG2 3.93Å; T91-T311 WeakPolarHBondContact O-CB 3.38Å; T91-T311 WeakPolarHBondContact O-CG2 3.26Å; T91-T311 PolarHBondContact O-OG1 3.3Å
92	A	98.2	Very high	95.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-61.8	176.8	0	0	0	0	0	110.5	K90 F102 F104 L107 T305 T311 C312	K90-A92 PolarHBondContact O-N 3.16Å; A92-F102 PolarHBondContact N-O 3.38Å; A92-F104 HydrophobicContact CB-CD1 3.94Å; A92-F104 HydrophobicContact CB-CD2 3.82Å; A92-F104 HydrophobicContact CB-CE1 3.96Å; A92-F104 HydrophobicContact CB-CE2 3.82Å; A92-F104 HydrophobicContact CB-CG 3.84Å; A92-F104 HydrophobicContact CB-CZ 3.88Å; A92-L107 HydrophobicContact CB-CD2 4.2Å; A92-T305 HydrophobicContact CB-CG2 3.78Å; A92-T305 WeakPolarHBondContact O-CG2 3.26Å; A92-T305 PolarHBondContact O-OG1 3Å; A92-T311 WeakPolarHBondContact O-CA 3.11Å; A92-C312 PolarHBondContact O-N 2.77Å
93	L	97.9	Very high	96.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.2	-177.3	-64.9	173	0	0	0	110.1	A101 F102 L107 P138 M302 T305 C312 L314	L93-A101 CarbonylContact O-C 3.57Å; L93-A101 WeakPolarHBondContact O-CA 3.49Å; L93-F102 PolarHBondContact N-O 3.38Å; L93-F102 PolarHBondContact O-N 2.9Å; L93-L107 HydrophobicContact CD1-CD1 4.2Å; L93-L107 HydrophobicContact CD1-CD2 3.66Å; L93-L107 HydrophobicContact CG-CD2 4.15Å; L93-P138 HydrophobicContact CB-CB 3.71Å; L93-P138 HydrophobicContact CB-CG 4.46Å; L93-P138 HydrophobicContact CD1-CB 4.43Å; L93-P138 VanDerWaalsContact CD1-O 3.27Å; L93-P138 WeakPolarHBondContact CD1-O 3.36Å; L93-M302 HydrophobicContact CD1-SD 4.34Å; L93-M302 HydrophobicContact CD2-CG 4.04Å; L93-T305 HydrophobicContact CD2-CG2 4.01Å; L93-T305 HydrophobicContact CG-CG2 4.1Å; L93-C312 WeakPolarHBondContact CA-O 3.38Å; L93-C312 HydrophobicContact CD2-CB 3.75Å; L93-L314 HydrophobicContact CD2-CD1 4.37Å
94	E	97.5	Very high	96.2	Very high	17 Å²	17	61.3 Å²	61.3	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.4	176.4	70.9	-178.4	-161.9	0	0	112.2	T91 L100 A101 R285 C312 V313 L314 H330	T91-E94 HydrophobicContact CG2-CB 4.15Å; E94-L100 CarbonylContact C-O 3.56Å; E94-L100 WeakPolarHBondContact CA-O 3.32Å; E94-A101 HydrophobicContact CB-CB 3.75Å; E94-R285 IonicContact OE1-CZ 3.19Å; E94-R285 IonicContact OE1-NH2 3.83Å; E94-R285 PolarHBondContact OE1-NH2 2.89Å; E94-R285 IonicContact OE2-CZ 2.67Å; E94-R285 IonicContact OE2-NH2 3.32Å; E94-R285 PolarHBondContact OE2-NH2 2.79Å; E94-C312 PolarHBondContact N-O 2.79Å; E94-C312 VanDerWaalsContact N-O 3.08Å; E94-V313 HydrophobicContact CG-CB 4.11Å; E94-V313 HydrophobicContact CG-CG1 3.97Å; E94-V313 HydrophobicContact CG-CG2 3.91Å; E94-V313 WeakPolarHBondContact OE1-CG1 3.3Å; E94-V313 WeakPolarHBondContact OE1-CG2 3.42Å; E94-L314 WeakPolarHBondContact O-CB 3.39Å; E94-L314 PolarHBondContact O-N 3.18Å; E94-H330 WeakPolarHBondContact OE1-CB 3.29Å; E94-H330 IonicContact OE1-CG 3Å; E94-H330 IonicContact OE1-ND1 2.81Å; E94-H330 PolarHBondContact OE1-ND1 3.41Å
95	M	96.6	Very high	96.2	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.3	173.2	-68.7	-56.8	-63.2	0	0	110.9	D97 K98 L100 P138 L314 P316	M95-D97 VanDerWaalsContact CE-OD1 3.26Å; M95-D97 WeakPolarHBondContact CE-OD1 3.3Å; M95-K98 HydrophobicContact CB-CB 4.1Å; M95-L100 HydrophobicContact CB-CB 4.21Å; M95-L100 HydrophobicContact CG-CB 4.05Å; M95-L100 HydrophobicContact CG-CD2 3.98Å; M95-L100 HydrophobicContact CG-CG 4.3Å; M95-L100 PolarHBondContact N-O 3.1Å; M95-P138 HydrophobicContact CG-CG 3.71Å; M95-P138 WeakPolarHBondContact SD-CD 3.47Å; M95-P138 HydrophobicContact SD-CG 3.92Å; M95-L314 CarbonylContact C-O 3.55Å; M95-L314 WeakPolarHBondContact CA-O 3.36Å; M95-L314 HydrophobicContact SD-CB 3.76Å; M95-P316 HydrophobicContact CE-CB 4.46Å; M95-P316 HydrophobicContact CE-CG 3.36Å
96	A	95.6	Very high	96.2	Very high	10 Å²	10	59.1 Å²	59.1	8%	0.083	29%	0.294	C	S	.	.	S	Bend	trans	-71	-33.5	179.7	0	0	0	0	0	112.8	Y287 V313 L314 D326 H330	A96-Y287 HydrophobicContact CB-CE2 4.08Å; A96-V313 HydrophobicContact CB-CG1 4Å; A96-L314 WeakPolarHBondContact CB-O 3.49Å; A96-L314 PolarHBondContact N-O 3.05Å; A96-D326 HydrophobicContact CB-CB 4.16Å; A96-H330 WeakPolarHBondContact CA-NE2 3.36Å; A96-H330 PolarHBondContact O-NE2 3.43Å
97	D	92.1	Very high	96.3	Very high	70 Å²	70	52.5 Å²	52.5	37%	0.374	27%	0.265	S	S	.	.	S	Bend	trans	-98.2	-4.7	-172.8	68.1	-37.1	0	0	0	114	M95 P316	M95-D97 VanDerWaalsContact CE-OD1 3.26Å; M95-D97 WeakPolarHBondContact CE-OD1 3.3Å; D97-P316 WeakPolarHBondContact OD1-CD 3.38Å; D97-P316 WeakPolarHBondContact OD2-CD 3.38Å; D97-P316 VanDerWaalsContact OD2-CG 3.32Å; D97-P316 WeakPolarHBondContact OD2-CG 3.34Å
98	K	90.3	Very high	96.3	Very high	114 Å²	114	50.3 Å²	50.3	50%	0.496	26%	0.257	S	S	.	.	S	Bend	trans	-140.4	152.5	-176.8	-63	-178.6	-176.2	-176.8	0	110.4	M95 L100	M95-K98 HydrophobicContact CB-CB 4.1Å; K98-L100 HydrophobicContact CB-CB 4.47Å; K98-L100 PolarHBondContact O-N 2.79Å
99	K	88.3	Confident	96.3	Very high	225 Å²	225	53.6 Å²	53.6	98%	0.978	26%	0.264	S	S	*	.	S	Bend	trans	-75.7	64.2	169.1	-67.2	-174.3	177.5	-178.2	0	110.8
100	L	94.3	Very high	96.3	Very high	40 Å²	40	48 Å²	48	21%	0.209	23%	0.234	C	C	.	.			trans	-128.5	115.6	176.4	178.6	64.1	0	0	0	108.7	E94 M95 K98 F102 P138	E94-L100 CarbonylContact C-O 3.56Å; E94-L100 WeakPolarHBondContact CA-O 3.32Å; M95-L100 HydrophobicContact CB-CB 4.21Å; M95-L100 HydrophobicContact CG-CB 4.05Å; M95-L100 HydrophobicContact CG-CD2 3.98Å; M95-L100 HydrophobicContact CG-CG 4.3Å; M95-L100 PolarHBondContact N-O 3.1Å; K98-L100 HydrophobicContact CB-CB 4.47Å; K98-L100 PolarHBondContact O-N 2.79Å; L100-F102 HydrophobicContact CD1-CE2 3.87Å; L100-F102 HydrophobicContact CD1-CZ 4.35Å; L100-F102 HydrophobicContact CG-CE2 4.31Å; L100-P138 HydrophobicContact CD2-CG 4.09Å; L100-P138 HydrophobicContact CG-CG 4.23Å
101	A	96.6	Very high	96.3	Very high	52 Å²	52	45.4 Å²	45.4	43%	0.43	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.2	176.9	0	0	0	0	0	109.6	T91 L93 E94	T91-A101 HydrophobicContact CG2-CB 4.24Å; L93-A101 CarbonylContact O-C 3.57Å; L93-A101 WeakPolarHBondContact O-CA 3.49Å; E94-A101 HydrophobicContact CB-CB 3.75Å
102	F	97.8	Very high	96.2	Very high	33 Å²	33	44.1 Å²	44.1	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.1	171.4	-71	-89.6	0	0	0	108.8	A92 L93 L100 E106 L107 L110 P138 E139	A92-F102 PolarHBondContact N-O 3.38Å; L93-F102 PolarHBondContact N-O 3.38Å; L93-F102 PolarHBondContact O-N 2.9Å; L100-F102 HydrophobicContact CD1-CE2 3.87Å; L100-F102 HydrophobicContact CD1-CZ 4.35Å; L100-F102 HydrophobicContact CG-CE2 4.31Å; F102-E106 HydrophobicContact CD1-CB 3.93Å; F102-L107 HydrophobicContact CB-CB 4.22Å; F102-L107 HydrophobicContact CB-CD1 4.4Å; F102-L107 HydrophobicContact CG-CD1 4.47Å; F102-L110 HydrophobicContact CE1-CD2 3.8Å; F102-L110 HydrophobicContact CZ-CD2 3.92Å; F102-P138 HydrophobicContact CD2-CB 3.56Å; F102-P138 HydrophobicContact CD2-CG 4.37Å; F102-P138 HydrophobicContact CE2-CB 3.89Å; F102-E139 HydrophobicContact CE2-CG 3.94Å; F102-E139 HydrophobicContact CZ-CG 4.04Å
103	T	98.5	Very high	96.2	Very high	30 Å²	30	47 Å²	47	18%	0.184	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	167.3	162	61.3	0	0	0	0	110.8	P88 K90 D105 E106 L107	P88-T103 WeakPolarHBondContact O-CB 3.29Å; K90-T103 CarbonylContact O-C 3.11Å; K90-T103 VanDerWaalsContact O-CA 3.25Å; K90-T103 WeakPolarHBondContact O-CA 3.48Å; T103-D105 VanDerWaalsContact C-N 3.28Å; T103-D105 PolarHBondContact O-N 3.42Å; T103-E106 WeakPolarHBondContact CB-OE2 3.38Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.22Å; T103-E106 PolarHBondContact N-OE2 2.75Å; T103-E106 PolarHBondContact O-N 3.28Å; T103-E106 WeakPolarHBondContact OG1-CB 3.46Å; T103-E106 VanDerWaalsContact OG1-CD 3.24Å; T103-E106 WeakPolarHBondContact OG1-CG 3.43Å; T103-E106 PolarHBondContact OG1-N 3.19Å; T103-E106 PolarHBondContact OG1-OE2 2.95Å; T103-L107 WeakPolarHBondContact O-CB 3.23Å; T103-L107 PolarHBondContact O-N 3.01Å
104	F	98.3	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-37.2	176.1	-77.9	-88.1	0	0	0	112.4	F80 I83 A84 Y87 P88 K90 A92 Q108 T305 G309	F80-F104 HydrophobicContact CD2-CD1 4.4Å; F80-F104 AromaticContact CE2-CD1 3.52Å; F80-F104 HydrophobicContact CE2-CD1 3.52Å; F80-F104 AromaticContact CE2-CE1 3.81Å; F80-F104 HydrophobicContact CE2-CE1 3.81Å; F80-F104 AromaticContact CZ-CD1 3.74Å; F80-F104 HydrophobicContact CZ-CD1 3.74Å; F80-F104 HydrophobicContact CZ-CE1 4.45Å; I83-F104 HydrophobicContact CG2-CD1 3.77Å; I83-F104 HydrophobicContact CG2-CE1 3.56Å; I83-F104 HydrophobicContact CG2-CZ 4.18Å; A84-F104 HydrophobicContact CB-CB 3.97Å; Y87-F104 WeakPolarHBondContact O-CD2 3.39Å; P88-F104 PolarHBondContact O-N 2.67Å; K90-F104 HydrophobicContact CB-CD2 3.97Å; K90-F104 HydrophobicContact CB-CE2 4.18Å; K90-F104 HydrophobicContact CD-CE2 3.98Å; K90-F104 HydrophobicContact CG-CD2 4.4Å; K90-F104 HydrophobicContact CG-CE2 4.1Å; K90-F104 VanDerWaalsContact O-CD2 3.26Å; K90-F104 WeakPolarHBondContact O-CD2 3.47Å; K90-F104 PolarHBondContact O-N 3.07Å; K90-F104 VanDerWaalsContact O-N 3.08Å; A92-F104 HydrophobicContact CB-CD1 3.94Å; A92-F104 HydrophobicContact CB-CD2 3.82Å; A92-F104 HydrophobicContact CB-CE1 3.96Å; A92-F104 HydrophobicContact CB-CE2 3.82Å; A92-F104 HydrophobicContact CB-CG 3.84Å; A92-F104 HydrophobicContact CB-CZ 3.88Å; F104-Q108 WeakPolarHBondContact O-CB 2.9Å; F104-Q108 PolarHBondContact O-N 2.97Å; F104-T305 HydrophobicContact CE1-CG2 4.02Å; F104-T305 HydrophobicContact CZ-CG2 3.99Å; F104-G309 WeakPolarHBondContact CZ-O 3.49Å
105	D	97.7	Very high	96.1	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.251	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-48.4	176.8	-173.1	68.6	0	0	0	111.8	P88 T103 L107 Q108 R109	P88-D105 HydrophobicContact CB-CB 4.13Å; P88-D105 PolarHBondContact O-N 3.21Å; P88-D105 VanDerWaalsContact O-N 3.15Å; T103-D105 VanDerWaalsContact C-N 3.28Å; T103-D105 PolarHBondContact O-N 3.42Å; D105-L107 VanDerWaalsContact C-N 3.3Å; D105-L107 PolarHBondContact O-N 3.41Å; D105-Q108 WeakPolarHBondContact O-CB 3.43Å; D105-Q108 PolarHBondContact O-N 2.9Å; D105-Q108 VanDerWaalsContact O-N 3.13Å; D105-R109 WeakPolarHBondContact O-CG 3.34Å; D105-R109 PolarHBondContact O-N 2.91Å; D105-R109 IonicContact OD1-NE 3.58Å; D105-R109 IonicContact OD2-CZ 3.84Å; D105-R109 IonicContact OD2-NE 2.69Å; D105-R109 PolarHBondContact OD2-NE 2.83Å; D105-R109 IonicContact OD2-NH2 3.67Å
106	E	97.6	Very high	96.1	Very high	92 Å²	92	46.7 Å²	46.7	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-40	178.5	-68.3	164.3	145	0	0	111.7	F102 T103 Q108 R109 L110	F102-E106 HydrophobicContact CD1-CB 3.93Å; T103-E106 WeakPolarHBondContact CB-OE2 3.38Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.22Å; T103-E106 PolarHBondContact N-OE2 2.75Å; T103-E106 PolarHBondContact O-N 3.28Å; T103-E106 WeakPolarHBondContact OG1-CB 3.46Å; T103-E106 VanDerWaalsContact OG1-CD 3.24Å; T103-E106 WeakPolarHBondContact OG1-CG 3.43Å; T103-E106 PolarHBondContact OG1-N 3.19Å; T103-E106 PolarHBondContact OG1-OE2 2.95Å; E106-Q108 VanDerWaalsContact C-N 3.35Å; E106-R109 PolarHBondContact O-N 3.46Å; E106-L110 WeakPolarHBondContact O-CB 3.28Å; E106-L110 PolarHBondContact O-N 2.85Å
107	L	97.7	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-37.7	176.7	-167.5	66.1	0	0	0	111.6	F80 A92 L93 F102 T103 D105 S111 A142 L145 L306	F80-L107 HydrophobicContact CE2-CD2 4.05Å; F80-L107 HydrophobicContact CZ-CB 4.06Å; F80-L107 HydrophobicContact CZ-CD2 3.72Å; F80-L107 HydrophobicContact CZ-CG 4.07Å; A92-L107 HydrophobicContact CB-CD2 4.2Å; L93-L107 HydrophobicContact CD1-CD1 4.2Å; L93-L107 HydrophobicContact CD1-CD2 3.66Å; L93-L107 HydrophobicContact CG-CD2 4.15Å; F102-L107 HydrophobicContact CB-CB 4.22Å; F102-L107 HydrophobicContact CB-CD1 4.4Å; F102-L107 HydrophobicContact CG-CD1 4.47Å; T103-L107 WeakPolarHBondContact O-CB 3.23Å; T103-L107 PolarHBondContact O-N 3.01Å; D105-L107 VanDerWaalsContact C-N 3.3Å; D105-L107 PolarHBondContact O-N 3.41Å; L107-S111 WeakPolarHBondContact O-CB 3.35Å; L107-S111 PolarHBondContact O-N 3.48Å; L107-S111 PolarHBondContact O-OG 3.35Å; L107-A142 HydrophobicContact CD1-CB 3.79Å; L107-L145 HydrophobicContact CD2-CD1 4.37Å; L107-L145 HydrophobicContact CG-CD1 4.3Å; L107-L306 HydrophobicContact CD2-CD2 4.1Å
108	Q	97.3	Very high	96.3	Very high	38 Å²	38	43.6 Å²	43.6	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-51.2	174.2	-175.3	-177.8	57.5	0	0	111.1	F80 D81 A84 F104 D105 E106 L110 S111 W112	F80-Q108 HydrophobicContact CE1-CB 3.98Å; D81-Q108 PolarHBondContact OD1-NE2 3.08Å; A84-Q108 HydrophobicContact CB-CB 4.23Å; F104-Q108 WeakPolarHBondContact O-CB 2.9Å; F104-Q108 PolarHBondContact O-N 2.97Å; D105-Q108 WeakPolarHBondContact O-CB 3.43Å; D105-Q108 PolarHBondContact O-N 2.9Å; D105-Q108 VanDerWaalsContact O-N 3.13Å; E106-Q108 VanDerWaalsContact C-N 3.35Å; Q108-L110 PolarHBondContact O-N 3.42Å; Q108-S111 PolarHBondContact O-N 2.98Å; Q108-S111 VanDerWaalsContact O-N 3.11Å; Q108-S111 PolarHBondContact O-OG 2.65Å; Q108-W112 PolarHBondContact O-N 3.34Å
109	R	97.1	Very high	96.5	Very high	115 Å²	115	38.8 Å²	38.8	43%	0.434	19%	0.188	S	C	.	.	H	α-helix	trans	-57.4	-46.5	177.8	-73.1	173.7	-179.6	-92.1	-0.6	112.1	D105 E106 S111 W112 R113 D229	D105-R109 WeakPolarHBondContact O-CG 3.34Å; D105-R109 PolarHBondContact O-N 2.91Å; D105-R109 IonicContact OD1-NE 3.58Å; D105-R109 IonicContact OD2-CZ 3.84Å; D105-R109 IonicContact OD2-NE 2.69Å; D105-R109 PolarHBondContact OD2-NE 2.83Å; D105-R109 IonicContact OD2-NH2 3.67Å; E106-R109 PolarHBondContact O-N 3.46Å; R109-S111 VanDerWaalsContact C-N 3.29Å; R109-S111 PolarHBondContact O-N 3.36Å; R109-W112 PolarHBondContact O-N 2.8Å; R109-R113 PolarHBondContact O-N 2.9Å; R109-D229 HydrophobicContact CB-CB 3.99Å; R109-D229 WeakPolarHBondContact CD-OD2 3.47Å; R109-D229 HydrophobicContact CG-CB 4.49Å; R109-D229 IonicContact NH1-OD2 2.77Å; R109-D229 PolarHBondContact NH1-OD2 2.92Å
110	L	97.3	Very high	96.7	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-40	176.6	-177.7	58.2	0	0	0	111.5	F102 E106 Q108 W112 R113 I114 E139 A142 L224	F102-L110 HydrophobicContact CE1-CD2 3.8Å; F102-L110 HydrophobicContact CZ-CD2 3.92Å; E106-L110 WeakPolarHBondContact O-CB 3.28Å; E106-L110 PolarHBondContact O-N 2.85Å; Q108-L110 PolarHBondContact O-N 3.42Å; L110-W112 PolarHBondContact O-N 3.46Å; L110-R113 WeakPolarHBondContact O-CB 3.42Å; L110-R113 PolarHBondContact O-N 2.95Å; L110-I114 HydrophobicContact CD1-CD1 4.26Å; L110-I114 HydrophobicContact CD1-CG1 4.45Å; L110-I114 HydrophobicContact CG-CD1 3.98Å; L110-I114 WeakPolarHBondContact O-CD1 3.37Å; L110-I114 VanDerWaalsContact O-CG1 3.29Å; L110-I114 WeakPolarHBondContact O-CG1 3.45Å; L110-I114 PolarHBondContact O-N 3.34Å; L110-E139 HydrophobicContact CD2-CG 4.22Å; L110-A142 HydrophobicContact CB-CB 4.25Å; L110-A142 HydrophobicContact CD2-CB 3.58Å; L110-A142 HydrophobicContact CG-CB 3.7Å; L110-L224 HydrophobicContact CD1-CD1 4.42Å
111	S	97.2	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-36.5	177.4	74.4	0	0	0	0	113.3	L107 Q108 R109 A115 L145 G146 R149	L107-S111 WeakPolarHBondContact O-CB 3.35Å; L107-S111 PolarHBondContact O-N 3.48Å; L107-S111 PolarHBondContact O-OG 3.35Å; Q108-S111 PolarHBondContact O-N 2.98Å; Q108-S111 VanDerWaalsContact O-N 3.11Å; Q108-S111 PolarHBondContact O-OG 2.65Å; R109-S111 VanDerWaalsContact C-N 3.29Å; R109-S111 PolarHBondContact O-N 3.36Å; S111-A115 WeakPolarHBondContact O-CB 3.45Å; S111-A115 PolarHBondContact O-N 3.2Å; S111-L145 VanDerWaalsContact CB-CB 3.45Å; S111-G146 WeakPolarHBondContact O-CA 3.48Å; S111-R149 PolarHBondContact OG-NE 3.3Å; S111-R149 PolarHBondContact OG-NH2 3.28Å
112	W	96.8	Very high	96.6	Very high	13 Å²	13	35.8 Å²	35.8	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-43.7	173.2	-83.8	120	0	0	0	112.1	Q108 R109 L110 I114 A115 N116 R149 D229 Q231 Y235	Q108-W112 PolarHBondContact O-N 3.34Å; R109-W112 PolarHBondContact O-N 2.8Å; L110-W112 PolarHBondContact O-N 3.46Å; W112-I114 VanDerWaalsContact C-N 3.28Å; W112-I114 PolarHBondContact O-N 3.22Å; W112-A115 HydrophobicContact CE3-CB 4.4Å; W112-A115 WeakPolarHBondContact O-CB 3.38Å; W112-A115 PolarHBondContact O-N 3.23Å; W112-A115 VanDerWaalsContact O-N 3.12Å; W112-N116 WeakPolarHBondContact O-CB 3.48Å; W112-N116 PolarHBondContact O-N 3.33Å; W112-N116 PolarHBondContact O-ND2 3.04Å; W112-R149 VanDerWaalsContact CE2-NH1 3.25Å; W112-R149 HydrophobicContact CH2-CB 4.49Å; W112-R149 HydrophobicContact CH2-CG 4.27Å; W112-R149 HydrophobicContact CZ2-CG 4.5Å; W112-R149 HydrophobicContact CZ3-CB 4.24Å; W112-R149 HydrophobicContact CZ3-CG 4.34Å; W112-D229 WeakPolarHBondContact CB-O 3.26Å; W112-Q231 HydrophobicContact CD2-CB 4.08Å; W112-Q231 HydrophobicContact CE3-CB 4.3Å; W112-Q231 HydrophobicContact CH2-CB 3.97Å; W112-Q231 HydrophobicContact CH2-CG 3.52Å; W112-Q231 HydrophobicContact CZ2-CB 3.68Å; W112-Q231 HydrophobicContact CZ2-CG 3.62Å; W112-Q231 HydrophobicContact CZ3-CB 4.26Å; W112-Q231 HydrophobicContact CZ3-CG 3.99Å; W112-Y235 AromaticContact CH2-CD1 3.84Å; W112-Y235 HydrophobicContact CH2-CD1 3.84Å; W112-Y235 HydrophobicContact CH2-CD2 4.14Å; W112-Y235 AromaticContact CH2-CE1 3.68Å; W112-Y235 HydrophobicContact CH2-CE1 3.68Å; W112-Y235 HydrophobicContact CH2-CE2 4.02Å; W112-Y235 HydrophobicContact CH2-CG 4.05Å; W112-Y235 AromaticContact CH2-CZ 3.77Å; W112-Y235 HydrophobicContact CZ3-CD2 4.08Å; W112-Y235 HydrophobicContact CZ3-CE1 4.5Å; W112-Y235 HydrophobicContact CZ3-CE2 4.05Å; W112-Y235 HydrophobicContact CZ3-CG 4.33Å
113	R	97.1	Very high	96.4	Very high	60 Å²	60	40.8 Å²	40.8	23%	0.226	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-42.5	175.3	-166.7	176.8	-81.2	-107.6	4.8	112.1	R109 L110 Y117 L224 R225 V227 S228 D229	R109-R113 PolarHBondContact O-N 2.9Å; L110-R113 WeakPolarHBondContact O-CB 3.42Å; L110-R113 PolarHBondContact O-N 2.95Å; R113-Y117 WeakPolarHBondContact O-CB 3.37Å; R113-Y117 PolarHBondContact O-N 2.87Å; R113-L224 WeakPolarHBondContact CD-O 3.46Å; R113-L224 HydrophobicContact CG-CB 4.14Å; R113-L224 HydrophobicContact CG-CD2 3.99Å; R113-L224 VanDerWaalsContact CG-O 3.28Å; R113-L224 WeakPolarHBondContact CG-O 3.4Å; R113-L224 PolarHBondContact NH1-O 2.77Å; R113-R225 VanDerWaalsContact NH1-CA 3.26Å; R113-R225 PolarHBondContact NH1-O 3.41Å; R113-V227 HydrophobicContact CG-CB 4.11Å; R113-V227 HydrophobicContact CG-CG1 4.46Å; R113-V227 PolarHBondContact NH1-O 3.17Å; R113-V227 VanDerWaalsContact NH1-O 3.1Å; R113-S228 WeakPolarHBondContact CA-O 3.47Å; R113-D229 HydrophobicContact CB-CB 4.35Å
114	I	97.5	Very high	96.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-47.5	174.2	-70.2	163	0	0	0	111.4	L110 W112 N116 Y117 F118 A142 F143 L224	L110-I114 HydrophobicContact CD1-CD1 4.26Å; L110-I114 HydrophobicContact CD1-CG1 4.45Å; L110-I114 HydrophobicContact CG-CD1 3.98Å; L110-I114 WeakPolarHBondContact O-CD1 3.37Å; L110-I114 VanDerWaalsContact O-CG1 3.29Å; L110-I114 WeakPolarHBondContact O-CG1 3.45Å; L110-I114 PolarHBondContact O-N 3.34Å; W112-I114 VanDerWaalsContact C-N 3.28Å; W112-I114 PolarHBondContact O-N 3.22Å; I114-N116 VanDerWaalsContact C-N 3.32Å; I114-N116 PolarHBondContact O-N 3.49Å; I114-Y117 PolarHBondContact O-N 3.08Å; I114-F118 HydrophobicContact CG2-CD2 3.74Å; I114-F118 HydrophobicContact CG2-CE2 3.27Å; I114-F118 HydrophobicContact CG2-CZ 3.77Å; I114-F118 WeakPolarHBondContact O-CG 3.25Å; I114-F118 PolarHBondContact O-N 3.03Å; I114-A142 HydrophobicContact CD1-CB 3.65Å; I114-F143 HydrophobicContact CD1-CD1 3.62Å; I114-F143 HydrophobicContact CD1-CE1 3.79Å; I114-F143 HydrophobicContact CD1-CG 4.34Å; I114-F143 HydrophobicContact CG1-CD1 4.2Å; I114-F143 HydrophobicContact CG1-CE1 4.16Å; I114-F143 HydrophobicContact CG2-CD1 4.05Å; I114-L224 HydrophobicContact CG1-CD1 4Å; I114-L224 HydrophobicContact CG1-CD2 3.98Å
115	A	96.4	Very high	96.1	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-42.8	179.4	0	0	0	0	0	112.1	S111 W112 G119 G146 R149	S111-A115 WeakPolarHBondContact O-CB 3.45Å; S111-A115 PolarHBondContact O-N 3.2Å; W112-A115 HydrophobicContact CE3-CB 4.4Å; W112-A115 WeakPolarHBondContact O-CB 3.38Å; W112-A115 PolarHBondContact O-N 3.23Å; W112-A115 VanDerWaalsContact O-N 3.12Å; A115-G119 PolarHBondContact O-N 3.29Å; A115-G119 VanDerWaalsContact O-N 3.08Å; A115-G146 WeakPolarHBondContact CB-O 3.37Å; A115-R149 HydrophobicContact CB-CB 3.86Å
116	N	96.2	Very high	95.9	Very high	10 Å²	10	51.6 Å²	51.6	5%	0.053	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-44.1	178	-67.2	-16.6	0	0	0	110.8	W112 I114 F118 G119 E120 V227 S228 E230 P232	W112-N116 WeakPolarHBondContact O-CB 3.48Å; W112-N116 PolarHBondContact O-N 3.33Å; W112-N116 PolarHBondContact O-ND2 3.04Å; I114-N116 VanDerWaalsContact C-N 3.32Å; I114-N116 PolarHBondContact O-N 3.49Å; N116-F118 PolarHBondContact O-N 2.9Å; N116-G119 PolarHBondContact O-N 2.71Å; N116-E120 VanDerWaalsContact O-CB 3.28Å; N116-E120 WeakPolarHBondContact O-CB 3.4Å; N116-E120 WeakPolarHBondContact O-CG 3.27Å; N116-E120 PolarHBondContact O-N 2.76Å; N116-V227 HydrophobicContact CB-CG1 3.45Å; N116-V227 VanDerWaalsContact CB-CG1 3.45Å; N116-S228 PolarHBondContact ND2-O 2.93Å; N116-E230 PolarHBondContact ND2-O 3.43Å; N116-P232 WeakPolarHBondContact OD1-CD 3.21Å; N116-P232 WeakPolarHBondContact OD1-CG 3.24Å
117	Y	97.1	Very high	95.7	Very high	14 Å²	14	49.1 Å²	49.1	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-47.4	176.4	179.5	-96.2	0	0	0	112	R113 I114 G119 K121 L122 L220 A223 L224 V227	R113-Y117 WeakPolarHBondContact O-CB 3.37Å; R113-Y117 PolarHBondContact O-N 2.87Å; I114-Y117 PolarHBondContact O-N 3.08Å; Y117-G119 VanDerWaalsContact C-N 3.31Å; Y117-G119 PolarHBondContact O-N 2.78Å; Y117-K121 HydrophobicContact CD2-CB 3.8Å; Y117-K121 HydrophobicContact CD2-CG 3.68Å; Y117-K121 HydrophobicContact CE2-CB 3.74Å; Y117-K121 HydrophobicContact CE2-CG 3.91Å; Y117-K121 HydrophobicContact CG-CB 4.4Å; Y117-K121 HydrophobicContact CG-CG 4.49Å; Y117-K121 WeakPolarHBondContact O-CA 3.24Å; Y117-K121 WeakPolarHBondContact O-CB 3.47Å; Y117-K121 PolarHBondContact O-N 3.07Å; Y117-L122 HydrophobicContact CD1-CD1 4.39Å; Y117-L122 HydrophobicContact CD1-CG 4.27Å; Y117-L122 HydrophobicContact CE1-CD1 3.79Å; Y117-L122 HydrophobicContact CE1-CD2 4.12Å; Y117-L122 HydrophobicContact CE1-CG 3.7Å; Y117-L122 PolarHBondContact O-N 3.21Å; Y117-L220 HydrophobicContact CD1-CD1 3.46Å; Y117-L220 VanDerWaalsContact CD1-CD1 3.46Å; Y117-L220 HydrophobicContact CE1-CD1 3.23Å; Y117-L220 HydrophobicContact CE2-CD1 4.45Å; Y117-L220 HydrophobicContact CG-CD1 4.18Å; Y117-A223 HydrophobicContact CD2-CB 4.31Å; Y117-A223 HydrophobicContact CE2-CB 3.6Å; Y117-L224 HydrophobicContact CG-CD2 4.14Å; Y117-V227 HydrophobicContact CD2-CG2 3.95Å
118	F	95.8	Very high	95.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-35.4	178.7	-68.8	-23.2	0	0	0	113.2	I114 N116 L122 H123 L124 V130 T147 L152 I179	I114-F118 HydrophobicContact CG2-CD2 3.74Å; I114-F118 HydrophobicContact CG2-CE2 3.27Å; I114-F118 HydrophobicContact CG2-CZ 3.77Å; I114-F118 WeakPolarHBondContact O-CG 3.25Å; I114-F118 PolarHBondContact O-N 3.03Å; N116-F118 PolarHBondContact O-N 2.9Å; F118-L122 HydrophobicContact CD1-CD1 3.85Å; F118-L122 HydrophobicContact CE1-CD1 4.25Å; F118-L122 CarbonylContact O-C 3.58Å; F118-H123 PolarHBondContact O-N 2.8Å; F118-L124 HydrophobicContact CB-CD1 4.14Å; F118-L124 HydrophobicContact CD1-CD1 4.34Å; F118-L124 HydrophobicContact CG-CD1 4.25Å; F118-L124 PolarHBondContact O-N 2.99Å; F118-V130 HydrophobicContact CE2-CG1 4.47Å; F118-V130 HydrophobicContact CZ-CG1 4.23Å; F118-T147 HydrophobicContact CD2-CG2 4.16Å; F118-T147 HydrophobicContact CE2-CG2 3.76Å; F118-L152 HydrophobicContact CB-CD1 3.79Å; F118-L152 HydrophobicContact CD2-CD1 3.76Å; F118-L152 HydrophobicContact CG-CD1 4.1Å; F118-I179 HydrophobicContact CZ-CD1 3.74Å; F118-I179 HydrophobicContact CZ-CG1 4.4Å
119	G	93.4	Very high	95.6	Very high	14 Å²	14	48.7 Å²	48.7	14%	0.144	23%	0.227	C	C	.	.	H	α-helix	trans	-78.5	-46.6	177.5	0	0	0	0	0	114.4	A115 N116 Y117 H123	A115-G119 PolarHBondContact O-N 3.29Å; A115-G119 VanDerWaalsContact O-N 3.08Å; N116-G119 PolarHBondContact O-N 2.71Å; Y117-G119 VanDerWaalsContact C-N 3.31Å; Y117-G119 PolarHBondContact O-N 2.78Å; G119-H123 WeakPolarHBondContact O-CA 3.21Å; G119-H123 PolarHBondContact O-N 3.04Å
120	E	93	Very high	95.7	Very high	105 Å²	105	43.2 Å²	43.2	49%	0.491	21%	0.206	S	C	.	.	H	α-helix	trans	-89.3	-35.7	-169.5	-64.2	177	-173.7	0	0	113.1	N116 H123	N116-E120 VanDerWaalsContact O-CB 3.28Å; N116-E120 WeakPolarHBondContact O-CB 3.4Å; N116-E120 WeakPolarHBondContact O-CG 3.27Å; N116-E120 PolarHBondContact O-N 2.76Å; E120-H123 PolarHBondContact O-CE1 3.15Å
121	K	93.8	Very high	95.7	Very high	119 Å²	119	42 Å²	42	52%	0.517	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-39.3	-176	-56.7	-58.5	-175.8	-178.7	0	112.6	Y117	Y117-K121 HydrophobicContact CD2-CB 3.8Å; Y117-K121 HydrophobicContact CD2-CG 3.68Å; Y117-K121 HydrophobicContact CE2-CB 3.74Å; Y117-K121 HydrophobicContact CE2-CG 3.91Å; Y117-K121 HydrophobicContact CG-CB 4.4Å; Y117-K121 HydrophobicContact CG-CG 4.49Å; Y117-K121 WeakPolarHBondContact O-CA 3.24Å; Y117-K121 WeakPolarHBondContact O-CB 3.47Å; Y117-K121 PolarHBondContact O-N 3.07Å
122	L	94.8	Very high	95.6	Very high	30 Å²	30	42.5 Å²	42.5	16%	0.157	20%	0.202	C	C	.	.	S	Bend	trans	-98.1	-7.1	178.6	-58.5	-168	0	0	0	114	Y117 F118 L124	Y117-L122 HydrophobicContact CD1-CD1 4.39Å; Y117-L122 HydrophobicContact CD1-CG 4.27Å; Y117-L122 HydrophobicContact CE1-CD1 3.79Å; Y117-L122 HydrophobicContact CE1-CD2 4.12Å; Y117-L122 HydrophobicContact CE1-CG 3.7Å; Y117-L122 PolarHBondContact O-N 3.21Å; F118-L122 HydrophobicContact CD1-CD1 3.85Å; F118-L122 HydrophobicContact CE1-CD1 4.25Å; F118-L122 CarbonylContact O-C 3.58Å; L122-L124 HydrophobicContact CB-CD1 4.36Å; L122-L124 HydrophobicContact CB-CG 3.94Å; L122-L124 HydrophobicContact CD1-CD1 4.42Å; L122-L124 PolarHBondContact O-N 3.03Å; L122-L124 VanDerWaalsContact O-N 3.11Å
123	H	94.9	Very high	95.4	Very high	137 Å²	137	42 Å²	42	63%	0.634	20%	0.201	S	C	*	.			trans	53.9	30.6	178.9	-54.3	-55.7	0	0	0	114.9	F118 G119 E120	F118-H123 PolarHBondContact O-N 2.8Å; G119-H123 WeakPolarHBondContact O-CA 3.21Å; G119-H123 PolarHBondContact O-N 3.04Å; E120-H123 PolarHBondContact O-CE1 3.15Å
124	L	95.2	Very high	95.1	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.047	19%	0.192	C	C	.	.			trans	-71.1	140.2	177.2	-59.9	-179	0	0	0	110.9	F118 L122 D128 V130 L152 K176 C177	F118-L124 HydrophobicContact CB-CD1 4.14Å; F118-L124 HydrophobicContact CD1-CD1 4.34Å; F118-L124 HydrophobicContact CG-CD1 4.25Å; F118-L124 PolarHBondContact O-N 2.99Å; L122-L124 HydrophobicContact CB-CD1 4.36Å; L122-L124 HydrophobicContact CB-CG 3.94Å; L122-L124 HydrophobicContact CD1-CD1 4.42Å; L122-L124 PolarHBondContact O-N 3.03Å; L122-L124 VanDerWaalsContact O-N 3.11Å; L124-D128 HydrophobicContact CB-CB 4.5Å; L124-V130 HydrophobicContact CD1-CG2 3.61Å; L124-L152 HydrophobicContact CB-CD1 4.13Å; L124-L152 HydrophobicContact CB-CD2 3.78Å; L124-L152 HydrophobicContact CD1-CD1 4.13Å; L124-K176 HydrophobicContact CD2-CB 4.25Å; L124-C177 HydrophobicContact CD1-CB 4.19Å
125	R	93.6	Very high	94.8	Very high	192 Å²	192	40.2 Å²	40.2	73%	0.725	20%	0.195	S	C	*	.			trans	-111.4	162.4	-175.5	-57.6	-178.2	-174.1	179.8	1.2	111.2	G127 D128 L152	R125-G127 PolarHBondContact O-N 3.41Å; R125-D128 PolarHBondContact N-OD2 3.16Å; R125-D128 WeakPolarHBondContact O-CB 3.26Å; R125-D128 VanDerWaalsContact O-CG 3.28Å; R125-D128 PolarHBondContact O-N 3.12Å; R125-L152 WeakPolarHBondContact O-CD2 3.46Å
126	E	93.7	Very high	94.7	Very high	104 Å²	104	40.1 Å²	40.1	49%	0.486	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	135.6	175.1	-172.8	-164.7	-172.5	0	0	111.5	D128 I238	E126-D128 PolarHBondContact O-N 3.12Å; E126-I238 HydrophobicContact CB-CG2 4.21Å; E126-I238 HydrophobicContact CG-CB 4.38Å; E126-I238 HydrophobicContact CG-CG2 3.89Å; E126-I238 WeakPolarHBondContact OE1-CG2 3.38Å; E126-I238 WeakPolarHBondContact OE2-CG2 3.35Å
127	G	94	Very high	94.6	Very high	39 Å²	39	40.8 Å²	40.8	40%	0.402	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-11	-178.9	0	0	0	0	0	114.4	R125 G151	R125-G127 PolarHBondContact O-N 3.41Å; G127-G151 PolarHBondContact N-O 3.23Å
128	D	96.5	Very high	94.5	Very high	22 Å²	22	40.1 Å²	40.1	12%	0.118	19%	0.193	C	C	.	.			trans	-65.1	145.8	171.9	-70.4	-19.8	0	0	0	110.8	L124 R125 E126 L152 I153 K176	L124-D128 HydrophobicContact CB-CB 4.5Å; R125-D128 PolarHBondContact N-OD2 3.16Å; R125-D128 WeakPolarHBondContact O-CB 3.26Å; R125-D128 VanDerWaalsContact O-CG 3.28Å; R125-D128 PolarHBondContact O-N 3.12Å; E126-D128 PolarHBondContact O-N 3.12Å; D128-L152 HydrophobicContact CB-CD2 3.8Å; D128-L152 WeakPolarHBondContact O-CA 3.39Å; D128-I153 PolarHBondContact O-N 3.41Å; D128-K176 HydrophobicContact CB-CD 4.05Å; D128-K176 WeakPolarHBondContact OD1-CE 3.25Å; D128-K176 IonicContact OD1-NZ 3.59Å; D128-K176 PolarHBondContact OD1-NZ 3.38Å; D128-K176 IonicContact OD2-NZ 3.45Å; D128-K176 PolarHBondContact OD2-NZ 3.39Å; D128-K176 VanDerWaalsContact OD2-NZ 3.12Å
129	V	97.2	Very high	94.6	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.5	-172.3	-180	0	0	0	0	109.9	I153 A155 A173 A175 K176 C177 Y247	V129-I153 WeakPolarHBondContact CA-O 3.37Å; V129-I153 HydrophobicContact CG2-CB 4.15Å; V129-I153 HydrophobicContact CG2-CD1 4.42Å; V129-A155 HydrophobicContact CG1-CB 3.76Å; V129-A173 HydrophobicContact CG1-CB 4.18Å; V129-A173 WeakPolarHBondContact CG2-O 3.42Å; V129-A175 HydrophobicContact CG1-CB 4.44Å; V129-K176 PolarHBondContact O-N 3.24Å; V129-C177 PolarHBondContact O-N 3.24Å; V129-Y247 HydrophobicContact CG1-CD2 4.29Å; V129-Y247 HydrophobicContact CG1-CE2 4.23Å; V129-Y247 HydrophobicContact CG2-CE2 3.84Å
130	V	98	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.7	171.7	-177.5	0	0	0	0	107.8	F118 L124 T147 L152 I153 L154 A155 C177 I179	F118-V130 HydrophobicContact CE2-CG1 4.47Å; F118-V130 HydrophobicContact CZ-CG1 4.23Å; L124-V130 HydrophobicContact CD1-CG2 3.61Å; V130-T147 HydrophobicContact CB-CG2 4.14Å; V130-T147 HydrophobicContact CG2-CG2 4.25Å; V130-L152 HydrophobicContact CG2-CD1 4.1Å; V130-I153 PolarHBondContact N-O 3.4Å; V130-L154 HydrophobicContact CB-CD1 4.49Å; V130-L154 HydrophobicContact CG1-CD1 4.44Å; V130-L154 CarbonylContact O-C 3.55Å; V130-L154 VanDerWaalsContact O-CA 3.32Å; V130-L154 WeakPolarHBondContact O-CA 3.44Å; V130-A155 PolarHBondContact O-N 3.09Å; V130-C177 CarbonylContact C-O 3.53Å; V130-C177 WeakPolarHBondContact CA-O 3.39Å; V130-C177 HydrophobicContact CG1-CB 4.33Å; V130-C177 HydrophobicContact CG2-CB 4.36Å; V130-I179 HydrophobicContact CG1-CD1 3.78Å; V130-I179 HydrophobicContact CG1-CG1 3.85Å
131	A	96.8	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.9	173.1	0	0	0	0	0	110.8	A155 L157 L170 A175 C177 L178 I179	A131-A155 CarbonylContact C-O 3.43Å; A131-A155 WeakPolarHBondContact CA-O 3.49Å; A131-A155 HydrophobicContact CB-CB 4.3Å; A131-L157 HydrophobicContact CB-CD1 3.88Å; A131-L157 HydrophobicContact CB-CG 4.38Å; A131-L170 HydrophobicContact CB-CD2 3.67Å; A131-A175 HydrophobicContact CB-CB 3.89Å; A131-C177 PolarHBondContact N-O 2.8Å; A131-L178 HydrophobicContact CB-CD1 3.83Å; A131-L178 CarbonylContact O-C 3.6Å; A131-L178 WeakPolarHBondContact O-CA 3.44Å; A131-I179 PolarHBondContact O-N 3.12Å
132	I	96	Very high	95.1	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.046	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.1	173	-171.7	168.3	0	0	0	110.2	M134 F143 L154 A155 Q156 L157 I179	I132-M134 HydrophobicContact CD1-CB 4.23Å; I132-M134 HydrophobicContact CD1-SD 4.31Å; I132-M134 HydrophobicContact CG1-CB 3.88Å; I132-F143 HydrophobicContact CD1-CB 4.18Å; I132-F143 HydrophobicContact CD1-CD2 3.51Å; I132-F143 HydrophobicContact CD1-CE2 4.23Å; I132-F143 HydrophobicContact CD1-CG 4.09Å; I132-L154 HydrophobicContact CB-CD1 4.15Å; I132-L154 HydrophobicContact CG2-CD1 4.06Å; I132-L154 HydrophobicContact CG2-CD2 4.13Å; I132-L154 HydrophobicContact CG2-CG 4.02Å; I132-A155 PolarHBondContact N-O 2.84Å; I132-Q156 HydrophobicContact CG2-CB 4.45Å; I132-Q156 HydrophobicContact CG2-CG 4.12Å; I132-L157 WeakPolarHBondContact O-CB 2.82Å; I132-L157 PolarHBondContact O-N 3.5Å; I132-I179 HydrophobicContact CG1-CB 4.33Å
133	F	92.4	Very high	95.3	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	83.4	177.9	-165.2	-96.7	0	0	0	108.5	L157 N158 F159 L166 L178 I179 L180 E181 L184	F133-L157 HydrophobicContact CB-CD1 4.41Å; F133-L157 HydrophobicContact CD2-CB 3.77Å; F133-L157 HydrophobicContact CD2-CD1 4.14Å; F133-N158 WeakPolarHBondContact CE2-O 3.38Å; F133-F159 HydrophobicContact CD1-CB 4.43Å; F133-F159 HydrophobicContact CE1-CB 4.27Å; F133-F159 VanDerWaalsContact CE2-CA 3.43Å; F133-F159 HydrophobicContact CE2-CB 4.47Å; F133-F159 VanDerWaalsContact CZ-CA 3.46Å; F133-F159 HydrophobicContact CZ-CB 4.31Å; F133-F159 WeakPolarHBondContact CZ-O 3.42Å; F133-L166 HydrophobicContact CD2-CD1 3.77Å; F133-L166 HydrophobicContact CE2-CD1 3.56Å; F133-L166 HydrophobicContact CE2-CD2 4.08Å; F133-L166 HydrophobicContact CE2-CG 4.43Å; F133-L166 HydrophobicContact CZ-CD1 4.45Å; F133-L166 HydrophobicContact CZ-CD2 4.16Å; F133-L178 HydrophobicContact CB-CD1 3.85Å; F133-I179 PolarHBondContact N-O 3.14Å; F133-L180 HydrophobicContact CB-CD1 4.33Å; F133-L180 HydrophobicContact CD1-CD1 3.58Å; F133-L180 HydrophobicContact CE1-CD1 4.38Å; F133-L180 HydrophobicContact CG-CD1 4.38Å; F133-E181 PolarHBondContact O-N 3.06Å; F133-L184 HydrophobicContact CD1-CB 4.5Å; F133-L184 HydrophobicContact CD1-CD1 3.61Å; F133-L184 HydrophobicContact CE1-CB 4.43Å; F133-L184 HydrophobicContact CE1-CD1 3.83Å
134	M	91.7	Very high	95.4	Very high	9 Å²	9	21.5 Å²	21.5	4%	0.044	10%	0.104	C	C	.	.			trans	-147.2	148.9	-169.1	-176.6	175.4	-69.1	0	0	110.6	I132 R137 F143 F159 I179 E181 Y208	I132-M134 HydrophobicContact CD1-CB 4.23Å; I132-M134 HydrophobicContact CD1-SD 4.31Å; I132-M134 HydrophobicContact CG1-CB 3.88Å; M134-R137 HydrophobicContact CG-CG 4.41Å; M134-R137 HydrophobicContact SD-CB 4.29Å; M134-R137 HydrophobicContact SD-CG 4.37Å; M134-F143 HydrophobicContact CE-CE2 3.8Å; M134-F143 HydrophobicContact CE-CZ 4.5Å; M134-F143 HydrophobicContact SD-CE2 4.1Å; M134-F159 WeakPolarHBondContact O-CD1 3.45Å; M134-I179 HydrophobicContact CE-CG2 4.18Å; M134-E181 HydrophobicContact CB-CB 4.08Å; M134-E181 HydrophobicContact CE-CB 4.3Å; M134-E181 HydrophobicContact CG-CB 3.88Å; M134-E181 HydrophobicContact CG-CG 4.11Å; M134-Y208 HydrophobicContact CE-CD1 3.57Å; M134-Y208 HydrophobicContact CE-CG 3.9Å
135	Q	91.3	Very high	95.5	Very high	17 Å²	17	21 Å²	21	8%	0.079	10%	0.102	C	C	.	.			trans	-70.3	177.7	170.2	-62.8	-177.8	48.6	0	0	111.3	R137 F159 E181 C183 R317	Q135-R137 PolarHBondContact O-N 3.3Å; Q135-R137 VanDerWaalsContact O-N 3.14Å; Q135-F159 HydrophobicContact CB-CE1 4.39Å; Q135-F159 HydrophobicContact CG-CD1 4.26Å; Q135-F159 HydrophobicContact CG-CD2 4.27Å; Q135-F159 HydrophobicContact CG-CE1 4.21Å; Q135-F159 HydrophobicContact CG-CE2 4.25Å; Q135-F159 HydrophobicContact CG-CG 4.28Å; Q135-F159 HydrophobicContact CG-CZ 4.22Å; Q135-E181 VanDerWaalsContact CB-OE2 3.31Å; Q135-E181 WeakPolarHBondContact CB-OE2 3.34Å; Q135-E181 WeakPolarHBondContact CG-OE2 3.36Å; Q135-E181 PolarHBondContact N-OE2 2.68Å; Q135-C183 PolarHBondContact NE2-SG 3.09Å; Q135-R317 VanDerWaalsContact OE1-NE 3.16Å
136	N	93.5	Very high	95.7	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.016	7%	0.068	C	C	.	.	S	Bend	trans	-65.5	117.8	177.1	-70.8	-2.1	0	0	0	110.7	M290 P291 L292 R315	N136-M290 PolarHBondContact ND2-O 2.81Å; N136-P291 WeakPolarHBondContact OD1-CA 3.48Å; N136-L292 HydrophobicContact CB-CD1 4.36Å; N136-L292 HydrophobicContact CB-CG 4.22Å; N136-L292 WeakPolarHBondContact OD1-CG 3.22Å; N136-L292 PolarHBondContact OD1-N 3.35Å; N136-R315 WeakPolarHBondContact CB-O 3.4Å; N136-R315 PolarHBondContact ND2-O 3.07Å
137	R	94.2	Very high	95.9	Very high	24 Å²	24	7 Å²	7	9%	0.091	5%	0.045	C	C	.	.			trans	-145.6	154.3	177.1	-65.5	-169.3	66.6	122.5	-4.1	111.4	M134 Q135 E139 C140 E181	M134-R137 HydrophobicContact CG-CG 4.41Å; M134-R137 HydrophobicContact SD-CB 4.29Å; M134-R137 HydrophobicContact SD-CG 4.37Å; Q135-R137 PolarHBondContact O-N 3.3Å; Q135-R137 VanDerWaalsContact O-N 3.14Å; R137-E139 WeakPolarHBondContact CB-OE2 3.23Å; R137-E139 IonicContact CZ-OE1 3.28Å; R137-E139 IonicContact CZ-OE2 2.61Å; R137-E139 IonicContact NE-OE1 2.77Å; R137-E139 IonicContact NE-OE2 3.63Å; R137-E139 PolarHBondContact NE-OE2 3.15Å; R137-E139 IonicContact NH2-OE1 2.86Å; R137-E139 PolarHBondContact NH2-OE1 3.3Å; R137-E139 IonicContact NH2-OE2 3.74Å; R137-E139 PolarHBondContact O-N 3.36Å; R137-C140 WeakPolarHBondContact O-CB 3.28Å; R137-C140 PolarHBondContact O-N 3Å; R137-E181 IonicContact NH1-OE1 2.7Å
138	P	95.7	Very high	96	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.6	176.6	-25.5	39.8	0	0	0	111.8	L93 M95 L100 F102 C140 G141 L314	L93-P138 HydrophobicContact CB-CB 3.71Å; L93-P138 HydrophobicContact CB-CG 4.46Å; L93-P138 HydrophobicContact CD1-CB 4.43Å; L93-P138 VanDerWaalsContact CD1-O 3.27Å; L93-P138 WeakPolarHBondContact CD1-O 3.36Å; M95-P138 HydrophobicContact CG-CG 3.71Å; M95-P138 WeakPolarHBondContact SD-CD 3.47Å; M95-P138 HydrophobicContact SD-CG 3.92Å; L100-P138 HydrophobicContact CD2-CG 4.09Å; L100-P138 HydrophobicContact CG-CG 4.23Å; F102-P138 HydrophobicContact CD2-CB 3.56Å; F102-P138 HydrophobicContact CD2-CG 4.37Å; F102-P138 HydrophobicContact CE2-CB 3.89Å; P138-C140 PolarHBondContact O-N 3.23Å; P138-G141 PolarHBondContact O-N 3.48Å; P138-L314 HydrophobicContact CG-CD1 4.44Å
139	E	96	Very high	95.9	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	2%	0.021	C	C	.	.	H	α-helix	trans	-66.8	-20	-177.8	-56.9	110.2	129.3	0	0	113	F102 L110 R137 G141 A142 F143 Y208	F102-E139 HydrophobicContact CE2-CG 3.94Å; F102-E139 HydrophobicContact CZ-CG 4.04Å; L110-E139 HydrophobicContact CD2-CG 4.22Å; R137-E139 WeakPolarHBondContact CB-OE2 3.23Å; R137-E139 IonicContact CZ-OE1 3.28Å; R137-E139 IonicContact CZ-OE2 2.61Å; R137-E139 IonicContact NE-OE1 2.77Å; R137-E139 IonicContact NE-OE2 3.63Å; R137-E139 PolarHBondContact NE-OE2 3.15Å; R137-E139 IonicContact NH2-OE1 2.86Å; R137-E139 PolarHBondContact NH2-OE1 3.3Å; R137-E139 IonicContact NH2-OE2 3.74Å; R137-E139 PolarHBondContact O-N 3.36Å; E139-G141 PolarHBondContact O-N 3.13Å; E139-A142 CarbonylContact O-C 3.58Å; E139-A142 WeakPolarHBondContact O-CA 3.5Å; E139-A142 WeakPolarHBondContact O-CB 3.33Å; E139-A142 PolarHBondContact O-N 2.88Å; E139-F143 HydrophobicContact CB-CE2 4.06Å; E139-F143 WeakPolarHBondContact O-CD2 3.34Å; E139-F143 PolarHBondContact O-N 2.94Å; E139-Y208 HydrophobicContact CB-CE1 4.06Å; E139-Y208 HydrophobicContact CG-CE1 4Å; E139-Y208 VanDerWaalsContact CG-OH 3.27Å; E139-Y208 WeakPolarHBondContact CG-OH 3.49Å; E139-Y208 WeakPolarHBondContact OE1-CE1 3.49Å; E139-Y208 PolarHBondContact OE1-OH 2.82Å
140	C	96.8	Very high	95.8	Very high	10 Å²	10	7.1 Å²	7.1	7%	0.068	3%	0.033	C	C	.	.	H	α-helix	trans	-56.3	-36.6	169.1	-65.6	0	0	0	0	112	R137 P138 F143 L144 L292	R137-C140 WeakPolarHBondContact O-CB 3.28Å; R137-C140 PolarHBondContact O-N 3Å; P138-C140 PolarHBondContact O-N 3.23Å; C140-F143 PolarHBondContact O-N 3.47Å; C140-L144 PolarHBondContact O-N 3.38Å; C140-L144 VanDerWaalsContact O-N 3.07Å; C140-L292 HydrophobicContact CB-CD1 3.72Å
141	G	97.3	Very high	95.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.3	-40.4	173.2	0	0	0	0	0	112.1	P138 E139 L144 L145	P138-G141 PolarHBondContact O-N 3.48Å; E139-G141 PolarHBondContact O-N 3.13Å; G141-L144 PolarHBondContact O-N 3.33Å; G141-L145 WeakPolarHBondContact O-CG 3.48Å; G141-L145 PolarHBondContact O-N 3.4Å
142	A	97.8	Very high	95.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.4	-39.3	176.8	0	0	0	0	0	112.2	L107 L110 I114 E139 L145 G146	L107-A142 HydrophobicContact CD1-CB 3.79Å; L110-A142 HydrophobicContact CB-CB 4.25Å; L110-A142 HydrophobicContact CD2-CB 3.58Å; L110-A142 HydrophobicContact CG-CB 3.7Å; I114-A142 HydrophobicContact CD1-CB 3.65Å; E139-A142 CarbonylContact O-C 3.58Å; E139-A142 WeakPolarHBondContact O-CA 3.5Å; E139-A142 WeakPolarHBondContact O-CB 3.33Å; E139-A142 PolarHBondContact O-N 2.88Å; A142-L145 PolarHBondContact O-N 3.2Å; A142-G146 PolarHBondContact O-N 3.32Å
143	F	98.1	Very high	95.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65	-41.8	175.1	-67.9	-54.9	0	0	0	112.3	I114 I132 M134 E139 C140 G146 T147 L154 I179 Y208 L220	I114-F143 HydrophobicContact CD1-CD1 3.62Å; I114-F143 HydrophobicContact CD1-CE1 3.79Å; I114-F143 HydrophobicContact CD1-CG 4.34Å; I114-F143 HydrophobicContact CG1-CD1 4.2Å; I114-F143 HydrophobicContact CG1-CE1 4.16Å; I114-F143 HydrophobicContact CG2-CD1 4.05Å; I132-F143 HydrophobicContact CD1-CB 4.18Å; I132-F143 HydrophobicContact CD1-CD2 3.51Å; I132-F143 HydrophobicContact CD1-CE2 4.23Å; I132-F143 HydrophobicContact CD1-CG 4.09Å; M134-F143 HydrophobicContact CE-CE2 3.8Å; M134-F143 HydrophobicContact CE-CZ 4.5Å; M134-F143 HydrophobicContact SD-CE2 4.1Å; E139-F143 HydrophobicContact CB-CE2 4.06Å; E139-F143 WeakPolarHBondContact O-CD2 3.34Å; E139-F143 PolarHBondContact O-N 2.94Å; C140-F143 PolarHBondContact O-N 3.47Å; F143-G146 PolarHBondContact O-N 2.84Å; F143-T147 WeakPolarHBondContact O-CB 3.28Å; F143-T147 WeakPolarHBondContact O-CG2 3.37Å; F143-T147 PolarHBondContact O-N 2.84Å; F143-T147 PolarHBondContact O-OG1 3.2Å; F143-L154 HydrophobicContact CB-CD1 4.47Å; F143-I179 HydrophobicContact CB-CD1 4.5Å; F143-I179 HydrophobicContact CD1-CD1 3.54Å; F143-I179 HydrophobicContact CD2-CD1 4.5Å; F143-I179 HydrophobicContact CE1-CD1 3.82Å; F143-I179 HydrophobicContact CE1-CG2 4.39Å; F143-I179 HydrophobicContact CE2-CG2 4.3Å; F143-I179 HydrophobicContact CG-CD1 3.94Å; F143-I179 HydrophobicContact CZ-CD1 4.4Å; F143-I179 HydrophobicContact CZ-CG2 4.04Å; F143-Y208 HydrophobicContact CE1-CD2 4.48Å; F143-Y208 HydrophobicContact CE2-CD1 4.43Å; F143-Y208 HydrophobicContact CE2-CD2 4.42Å; F143-Y208 HydrophobicContact CE2-CG 4.31Å; F143-Y208 HydrophobicContact CZ-CD1 4.35Å; F143-Y208 AromaticContact CZ-CD2 3.58Å; F143-Y208 HydrophobicContact CZ-CD2 3.58Å; F143-Y208 AromaticContact CZ-CE2 3.87Å; F143-Y208 HydrophobicContact CZ-CE2 3.87Å; F143-Y208 AromaticContact CZ-CG 3.84Å; F143-Y208 HydrophobicContact CZ-CG 3.84Å; F143-L220 HydrophobicContact CE1-CD2 3.67Å; F143-L220 HydrophobicContact CZ-CD2 4.02Å
144	L	98	Very high	96	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-61.8	-44.5	175.5	-172.3	72.8	0	0	0	111.5	C140 G141 T147 A148 L154 L245 T246 Y267 M302 L306	C140-L144 PolarHBondContact O-N 3.38Å; C140-L144 VanDerWaalsContact O-N 3.07Å; G141-L144 PolarHBondContact O-N 3.33Å; L144-T147 PolarHBondContact O-OG1 3.09Å; L144-A148 WeakPolarHBondContact O-CB 3.28Å; L144-A148 PolarHBondContact O-N 3.21Å; L144-L154 HydrophobicContact CB-CD2 4.08Å; L144-L154 HydrophobicContact CD1-CB 4.25Å; L144-L154 HydrophobicContact CD1-CD2 3.86Å; L144-L245 HydrophobicContact CD1-CD1 3.89Å; L144-L245 HydrophobicContact CD1-CD2 4.25Å; L144-L245 HydrophobicContact CD1-CG 3.93Å; L144-L245 HydrophobicContact CD2-CD2 4.48Å; L144-L245 HydrophobicContact CG-CD1 4.19Å; L144-T246 HydrophobicContact CD1-CG2 4.49Å; L144-Y267 HydrophobicContact CD2-CE2 3.67Å; L144-M302 HydrophobicContact CD2-CE 4.43Å; L144-L306 HydrophobicContact CD2-CD1 3.72Å
145	L	97.5	Very high	96.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.8	-42.4	177.3	-68.8	170.6	0	0	0	112.1	V76 D77 F80 L107 S111 G141 A142 A148 R149 L306	V76-L145 HydrophobicContact CG1-CD2 4.22Å; D77-L145 HydrophobicContact CB-CD2 4.43Å; F80-L145 HydrophobicContact CB-CD2 3.75Å; F80-L145 HydrophobicContact CD1-CD1 3.57Å; F80-L145 HydrophobicContact CD1-CD2 4.15Å; F80-L145 HydrophobicContact CD2-CD1 4.09Å; F80-L145 HydrophobicContact CD2-CD2 4.43Å; F80-L145 HydrophobicContact CE1-CD1 3.63Å; F80-L145 HydrophobicContact CE2-CD1 4.12Å; F80-L145 HydrophobicContact CG-CD1 3.81Å; F80-L145 HydrophobicContact CG-CD2 3.84Å; F80-L145 HydrophobicContact CZ-CD1 3.92Å; L107-L145 HydrophobicContact CD2-CD1 4.37Å; L107-L145 HydrophobicContact CG-CD1 4.3Å; S111-L145 VanDerWaalsContact CB-CB 3.45Å; G141-L145 WeakPolarHBondContact O-CG 3.48Å; G141-L145 PolarHBondContact O-N 3.4Å; A142-L145 PolarHBondContact O-N 3.2Å; L145-A148 WeakPolarHBondContact O-CB 3.49Å; L145-A148 PolarHBondContact O-N 3.02Å; L145-R149 VanDerWaalsContact O-CG 3.28Å; L145-R149 WeakPolarHBondContact O-CG 3.44Å; L145-R149 PolarHBondContact O-N 3.44Å; L145-L306 HydrophobicContact CD1-CD2 4.01Å; L145-L306 HydrophobicContact CG-CD2 4.4Å
146	G	96.9	Very high	96.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-66.7	-41	-178.8	0	0	0	0	0	112.8	S111 A115 A142 F143 K150	S111-G146 WeakPolarHBondContact O-CA 3.48Å; A115-G146 WeakPolarHBondContact CB-O 3.37Å; A142-G146 PolarHBondContact O-N 3.32Å; F143-G146 PolarHBondContact O-N 2.84Å; G146-K150 PolarHBondContact O-N 2.81Å
147	T	97.5	Very high	96.3	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.2	-45.4	171.6	49.2	0	0	0	0	111.5	F118 V130 F143 L144 R149 K150 G151 L152 L154	F118-T147 HydrophobicContact CD2-CG2 4.16Å; F118-T147 HydrophobicContact CE2-CG2 3.76Å; V130-T147 HydrophobicContact CB-CG2 4.14Å; V130-T147 HydrophobicContact CG2-CG2 4.25Å; F143-T147 WeakPolarHBondContact O-CB 3.28Å; F143-T147 WeakPolarHBondContact O-CG2 3.37Å; F143-T147 PolarHBondContact O-N 2.84Å; F143-T147 PolarHBondContact O-OG1 3.2Å; L144-T147 PolarHBondContact O-OG1 3.09Å; T147-R149 PolarHBondContact O-N 2.99Å; T147-K150 PolarHBondContact O-N 3Å; T147-K150 VanDerWaalsContact O-N 3.11Å; T147-G151 PolarHBondContact O-N 2.76Å; T147-G151 VanDerWaalsContact O-N 3.12Å; T147-L152 HydrophobicContact CG2-CB 4.16Å; T147-L152 HydrophobicContact CG2-CD1 4.44Å; T147-L152 PolarHBondContact O-N 3.11Å; T147-L154 HydrophobicContact CG2-CB 4.42Å; T147-L154 HydrophobicContact CG2-CD1 3.94Å
148	A	96.6	Very high	95.9	Very high	2 Å²	2	7.3 Å²	7.3	2%	0.017	4%	0.038	C	C	.	.	H	α-helix	trans	-54.1	-47.8	175.5	0	0	0	0	0	113.1	D77 L144 L145 K150 G151 L245	D77-A148 HydrophobicContact CB-CB 4.11Å; L144-A148 WeakPolarHBondContact O-CB 3.28Å; L144-A148 PolarHBondContact O-N 3.21Å; L145-A148 WeakPolarHBondContact O-CB 3.49Å; L145-A148 PolarHBondContact O-N 3.02Å; A148-K150 PolarHBondContact O-N 3.28Å; A148-G151 PolarHBondContact O-N 3.39Å; A148-L245 HydrophobicContact CB-CD1 3.71Å
149	R	95.2	Very high	95.4	Very high	1 Å²	1	8.1 Å²	8.1	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-57.4	-36.6	178.3	-72.4	174.1	-168	-62.4	-4.5	112.3	D77 D81 S111 W112 A115 L145 T147 G151 Y235	D77-R149 HydrophobicContact CB-CG 3.79Å; D81-R149 VanDerWaalsContact CG-NH1 3.29Å; D81-R149 IonicContact OD1-CZ 3.84Å; D81-R149 VanDerWaalsContact OD1-CZ 3.28Å; D81-R149 IonicContact OD1-NH1 2.59Å; D81-R149 PolarHBondContact OD1-NH1 2.98Å; D81-R149 IonicContact OD1-NH2 3.11Å; D81-R149 PolarHBondContact OD1-NH2 2.69Å; D81-R149 IonicContact OD2-CZ 3.88Å; D81-R149 IonicContact OD2-NH1 2.8Å; D81-R149 PolarHBondContact OD2-NH1 2.77Å; D81-R149 IonicContact OD2-NH2 3.24Å; S111-R149 PolarHBondContact OG-NE 3.3Å; S111-R149 PolarHBondContact OG-NH2 3.28Å; W112-R149 VanDerWaalsContact CE2-NH1 3.25Å; W112-R149 HydrophobicContact CH2-CB 4.49Å; W112-R149 HydrophobicContact CH2-CG 4.27Å; W112-R149 HydrophobicContact CZ2-CG 4.5Å; W112-R149 HydrophobicContact CZ3-CB 4.24Å; W112-R149 HydrophobicContact CZ3-CG 4.34Å; A115-R149 HydrophobicContact CB-CB 3.86Å; L145-R149 VanDerWaalsContact O-CG 3.28Å; L145-R149 WeakPolarHBondContact O-CG 3.44Å; L145-R149 PolarHBondContact O-N 3.44Å; T147-R149 PolarHBondContact O-N 2.99Å; R149-G151 VanDerWaalsContact C-N 3.32Å; R149-Y235 VanDerWaalsContact O-CE2 3.3Å; R149-Y235 WeakPolarHBondContact O-CE2 3.3Å; R149-Y235 PolarHBondContact O-OH 3.36Å
150	K	93.9	Very high	94.5	Very high	69 Å²	69	11.2 Å²	11.2	30%	0.3	6%	0.058	S	C	.	.	H	α-helix	trans	-87.6	-1.9	179.6	-167	57.1	175.9	-178.2	0	113.4	G146 T147 A148 L152	G146-K150 PolarHBondContact O-N 2.81Å; T147-K150 PolarHBondContact O-N 3Å; T147-K150 VanDerWaalsContact O-N 3.11Å; A148-K150 PolarHBondContact O-N 3.28Å; K150-L152 HydrophobicContact CB-CD1 3.95Å; K150-L152 HydrophobicContact CB-CG 3.87Å; K150-L152 HydrophobicContact CG-CD1 4.01Å; K150-L152 HydrophobicContact CG-CD2 4.45Å; K150-L152 HydrophobicContact CG-CG 3.97Å
151	G	95.2	Very high	93.5	Very high	7 Å²	7	12 Å²	12	7%	0.072	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	24.5	-173.3	0	0	0	0	0	113.3	G127 T147 A148 R149	G127-G151 PolarHBondContact N-O 3.23Å; T147-G151 PolarHBondContact O-N 2.76Å; T147-G151 VanDerWaalsContact O-N 3.12Å; A148-G151 PolarHBondContact O-N 3.39Å; R149-G151 VanDerWaalsContact C-N 3.32Å
152	L	97.2	Very high	92.3	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.079	C	C	.	.			trans	-84.1	158.7	173.5	-56.7	173.2	0	0	0	110	F118 L124 R125 D128 V130 T147 K150	F118-L152 HydrophobicContact CB-CD1 3.79Å; F118-L152 HydrophobicContact CD2-CD1 3.76Å; F118-L152 HydrophobicContact CG-CD1 4.1Å; L124-L152 HydrophobicContact CB-CD1 4.13Å; L124-L152 HydrophobicContact CB-CD2 3.78Å; L124-L152 HydrophobicContact CD1-CD1 4.13Å; R125-L152 WeakPolarHBondContact O-CD2 3.46Å; D128-L152 HydrophobicContact CB-CD2 3.8Å; D128-L152 WeakPolarHBondContact O-CA 3.39Å; V130-L152 HydrophobicContact CG2-CD1 4.1Å; T147-L152 HydrophobicContact CG2-CB 4.16Å; T147-L152 HydrophobicContact CG2-CD1 4.44Å; T147-L152 PolarHBondContact O-N 3.11Å; K150-L152 HydrophobicContact CB-CD1 3.95Å; K150-L152 HydrophobicContact CB-CG 3.87Å; K150-L152 HydrophobicContact CG-CD1 4.01Å; K150-L152 HydrophobicContact CG-CD2 4.45Å; K150-L152 HydrophobicContact CG-CG 3.97Å
153	I	97.5	Very high	91.3	Very high	14 Å²	14	19.7 Å²	19.7	7%	0.072	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.7	176.8	-58.3	169.6	0	0	0	109	D128 V129 V130 V244 Y247	D128-I153 PolarHBondContact O-N 3.41Å; V129-I153 WeakPolarHBondContact CA-O 3.37Å; V129-I153 HydrophobicContact CG2-CB 4.15Å; V129-I153 HydrophobicContact CG2-CD1 4.42Å; V130-I153 PolarHBondContact N-O 3.4Å; I153-V244 HydrophobicContact CD1-CB 3.98Å; I153-V244 HydrophobicContact CD1-CG1 4.01Å; I153-V244 HydrophobicContact CG1-CB 4.2Å; I153-V244 HydrophobicContact CG1-CG1 4.13Å; I153-V244 HydrophobicContact CG2-CG1 3.86Å; I153-Y247 WeakPolarHBondContact CD1-OH 3.36Å; I153-Y247 HydrophobicContact CG2-CD1 4.12Å; I153-Y247 HydrophobicContact CG2-CD2 3.84Å; I153-Y247 HydrophobicContact CG2-CE1 3.99Å; I153-Y247 HydrophobicContact CG2-CE2 3.72Å; I153-Y247 HydrophobicContact CG2-CG 4.04Å
154	L	98.3	Very high	90.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.9	175.8	-168.5	73.7	0	0	0	110.8	V130 I132 F143 L144 T147 Q156 L245 T246 Y247	V130-L154 HydrophobicContact CB-CD1 4.49Å; V130-L154 HydrophobicContact CG1-CD1 4.44Å; V130-L154 CarbonylContact O-C 3.55Å; V130-L154 VanDerWaalsContact O-CA 3.32Å; V130-L154 WeakPolarHBondContact O-CA 3.44Å; I132-L154 HydrophobicContact CB-CD1 4.15Å; I132-L154 HydrophobicContact CG2-CD1 4.06Å; I132-L154 HydrophobicContact CG2-CD2 4.13Å; I132-L154 HydrophobicContact CG2-CG 4.02Å; F143-L154 HydrophobicContact CB-CD1 4.47Å; L144-L154 HydrophobicContact CB-CD2 4.08Å; L144-L154 HydrophobicContact CD1-CB 4.25Å; L144-L154 HydrophobicContact CD1-CD2 3.86Å; T147-L154 HydrophobicContact CG2-CB 4.42Å; T147-L154 HydrophobicContact CG2-CD1 3.94Å; L154-Q156 HydrophobicContact CD2-CG 4.23Å; L154-Q156 HydrophobicContact CG-CG 4.39Å; L154-L245 PolarHBondContact N-O 3.01Å; L154-L245 VanDerWaalsContact N-O 3.07Å; L154-T246 CarbonylContact O-C 3.49Å; L154-T246 WeakPolarHBondContact O-CA 3.23Å; L154-T246 VanDerWaalsContact O-CB 3.25Å; L154-T246 WeakPolarHBondContact O-CB 3.25Å; L154-T246 PolarHBondContact O-OG1 3.22Å; L154-Y247 PolarHBondContact O-N 2.8Å
155	A	97.6	Very high	89.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.1	173.2	0	0	0	0	0	110.6	V129 V130 A131 I132 L157 A173 Y247 Y249	V129-A155 HydrophobicContact CG1-CB 3.76Å; V130-A155 PolarHBondContact O-N 3.09Å; A131-A155 CarbonylContact C-O 3.43Å; A131-A155 WeakPolarHBondContact CA-O 3.49Å; A131-A155 HydrophobicContact CB-CB 4.3Å; I132-A155 PolarHBondContact N-O 2.84Å; A155-L157 PolarHBondContact O-N 3.26Å; A155-A173 HydrophobicContact CB-CB 4.16Å; A155-Y247 HydrophobicContact CB-CD2 4.14Å; A155-Y249 HydrophobicContact CB-CE2 4.29Å
156	Q	94.8	Very high	88.5	Confident	9 Å²	9	26.2 Å²	26.2	4%	0.042	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	106.8	-173.7	-64.5	-168.3	78	0	0	111.6	I132 L154 T246 Y247 Y249 L292	I132-Q156 HydrophobicContact CG2-CB 4.45Å; I132-Q156 HydrophobicContact CG2-CG 4.12Å; L154-Q156 HydrophobicContact CD2-CG 4.23Å; L154-Q156 HydrophobicContact CG-CG 4.39Å; Q156-T246 PolarHBondContact NE2-OG1 3.26Å; Q156-T246 VanDerWaalsContact NE2-OG1 3.12Å; Q156-Y247 PolarHBondContact N-O 3.38Å; Q156-Y249 VanDerWaalsContact O-CD2 3.26Å; Q156-Y249 WeakPolarHBondContact O-CD2 3.35Å; Q156-L292 PolarHBondContact OE1-O 2.93Å
157	L	90.8	Very high	88	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.134	C	C	.	.			trans	-93	143.8	-175.5	-59	175.7	0	0	0	111.8	A131 I132 F133 A155 F159 L166 C169 L170 L178 Y249 Y293	A131-L157 HydrophobicContact CB-CD1 3.88Å; A131-L157 HydrophobicContact CB-CG 4.38Å; I132-L157 WeakPolarHBondContact O-CB 2.82Å; I132-L157 PolarHBondContact O-N 3.5Å; F133-L157 HydrophobicContact CB-CD1 4.41Å; F133-L157 HydrophobicContact CD2-CB 3.77Å; F133-L157 HydrophobicContact CD2-CD1 4.14Å; A155-L157 PolarHBondContact O-N 3.26Å; L157-F159 PolarHBondContact O-N 2.81Å; L157-L166 HydrophobicContact CD1-CD1 3.93Å; L157-C169 HydrophobicContact CD2-CB 3.45Å; L157-C169 VanDerWaalsContact CD2-CB 3.45Å; L157-L170 HydrophobicContact CD1-CD2 3.71Å; L157-L170 HydrophobicContact CD1-CG 4.17Å; L157-L178 HydrophobicContact CD1-CD1 4.16Å; L157-Y249 HydrophobicContact CD2-CD2 4.12Å; L157-Y249 HydrophobicContact CD2-CE1 4.5Å; L157-Y249 HydrophobicContact CD2-CE2 3.45Å; L157-Y249 VanDerWaalsContact CD2-CE2 3.45Å; L157-Y249 HydrophobicContact CG-CE2 4.5Å; L157-Y293 WeakPolarHBondContact O-CB 3.32Å
158	N	85.7	Confident	87.4	Confident	35 Å²	35	29.5 Å²	29.5	19%	0.187	15%	0.149	C	C	.	.			trans	-73.2	115.5	168.6	176.4	-5.9	0	0	0	109.3	F133 N160 L161 Y293	F133-N158 WeakPolarHBondContact CE2-O 3.38Å; N158-N160 PolarHBondContact O-N 2.97Å; N158-N160 VanDerWaalsContact OD1-CB 3.28Å; N158-N160 WeakPolarHBondContact OD1-CB 3.46Å; N158-N160 PolarHBondContact OD1-N 3.03Å; N158-N160 PolarHBondContact OD1-ND2 3.39Å; N158-L161 HydrophobicContact CB-CD1 4.07Å; N158-L161 HydrophobicContact CB-CG 3.91Å; N158-L161 WeakPolarHBondContact O-CB 3.44Å; N158-L161 VanDerWaalsContact O-CG 3.32Å; N158-L161 WeakPolarHBondContact O-CG 3.21Å; N158-L161 PolarHBondContact O-N 3.04Å; N158-Y293 HydrophobicContact CB-CD2 3.94Å; N158-Y293 HydrophobicContact CB-CE1 4.16Å; N158-Y293 HydrophobicContact CB-CE2 3.57Å; N158-Y293 HydrophobicContact CB-CG 4.44Å; N158-Y293 VanDerWaalsContact CG-CZ 3.41Å; N158-Y293 VanDerWaalsContact CG-OH 3.27Å; N158-Y293 PolarHBondContact ND2-OH 3.48Å; N158-Y293 PolarHBondContact OD1-OH 2.88Å
159	F	84.1	Confident	87	Confident	17 Å²	17	29.4 Å²	29.4	8%	0.075	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-8.6	-178.9	59.1	-103	0	0	0	114.6	F133 M134 Q135 L157 R162 L184 Y293	F133-F159 HydrophobicContact CD1-CB 4.43Å; F133-F159 HydrophobicContact CE1-CB 4.27Å; F133-F159 VanDerWaalsContact CE2-CA 3.43Å; F133-F159 HydrophobicContact CE2-CB 4.47Å; F133-F159 VanDerWaalsContact CZ-CA 3.46Å; F133-F159 HydrophobicContact CZ-CB 4.31Å; F133-F159 WeakPolarHBondContact CZ-O 3.42Å; M134-F159 WeakPolarHBondContact O-CD1 3.45Å; Q135-F159 HydrophobicContact CB-CE1 4.39Å; Q135-F159 HydrophobicContact CG-CD1 4.26Å; Q135-F159 HydrophobicContact CG-CD2 4.27Å; Q135-F159 HydrophobicContact CG-CE1 4.21Å; Q135-F159 HydrophobicContact CG-CE2 4.25Å; Q135-F159 HydrophobicContact CG-CG 4.28Å; Q135-F159 HydrophobicContact CG-CZ 4.22Å; L157-F159 PolarHBondContact O-N 2.81Å; F159-R162 PolarHBondContact O-NH1 2.91Å; F159-L184 HydrophobicContact CB-CD1 3.8Å; F159-Y293 AromaticContact CD1-CD1 3.86Å; F159-Y293 HydrophobicContact CD1-CD1 3.86Å; F159-Y293 AromaticContact CD1-CE1 3.62Å; F159-Y293 HydrophobicContact CD1-CE1 3.62Å; F159-Y293 HydrophobicContact CE1-CD1 4.02Å; F159-Y293 AromaticContact CE1-CE1 3.52Å; F159-Y293 HydrophobicContact CE1-CE1 3.52Å; F159-Y293 HydrophobicContact CZ-CE1 4.32Å
160	N	77.3	Confident	86.8	Confident	66 Å²	66	29.5 Å²	29.5	35%	0.353	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.3	173.4	-58.8	-67.6	0	0	0	113.5	N158 R162	N158-N160 PolarHBondContact O-N 2.97Å; N158-N160 VanDerWaalsContact OD1-CB 3.28Å; N158-N160 WeakPolarHBondContact OD1-CB 3.46Å; N158-N160 PolarHBondContact OD1-N 3.03Å; N158-N160 PolarHBondContact OD1-ND2 3.39Å; N160-R162 PolarHBondContact O-NH1 3Å; N160-R162 VanDerWaalsContact O-NH1 3.13Å
161	L	76.1	Confident	86.7	Confident	27 Å²	27	28.6 Å²	28.6	14%	0.141	15%	0.147	C	C	.	.			trans	-67.8	150.1	178	-63.5	175	0	0	0	111.4	N158 L166	N158-L161 HydrophobicContact CB-CD1 4.07Å; N158-L161 HydrophobicContact CB-CG 3.91Å; N158-L161 WeakPolarHBondContact O-CB 3.44Å; N158-L161 VanDerWaalsContact O-CG 3.32Å; N158-L161 WeakPolarHBondContact O-CG 3.21Å; N158-L161 PolarHBondContact O-N 3.04Å; L161-L166 HydrophobicContact CB-CB 4.05Å
162	R	72.9	Confident	86.4	Confident	95 Å²	95	29.7 Å²	29.7	36%	0.358	16%	0.155	S	C	.	.			trans	-135	151	-175.4	-53.9	-63.4	177.6	-110.8	8.7	109.7	F159 N160 D164 S165 L166 N189	F159-R162 PolarHBondContact O-NH1 2.91Å; N160-R162 PolarHBondContact O-NH1 3Å; N160-R162 VanDerWaalsContact O-NH1 3.13Å; R162-D164 PolarHBondContact O-N 3.48Å; R162-S165 PolarHBondContact O-N 2.84Å; R162-S165 VanDerWaalsContact O-N 3.1Å; R162-L166 PolarHBondContact O-N 3.42Å; R162-N189 WeakPolarHBondContact CD-OD1 3.38Å; R162-N189 PolarHBondContact NE-ND2 2.79Å; R162-N189 PolarHBondContact NE-OD1 2.97Å; R162-N189 PolarHBondContact NH1-ND2 2.7Å; R162-N189 PolarHBondContact NH2-ND2 3.01Å
163	L	75.9	Confident	86.2	Confident	66 Å²	66	29.7 Å²	29.7	35%	0.346	16%	0.156	S	C	.	.	H	α-helix	trans	43.4	-122.7	166.4	-64.2	171.4	0	0	0	112.9	S165 L166 A167 E192	L163-S165 VanDerWaalsContact C-N 3.27Å; L163-S165 PolarHBondContact O-N 2.85Å; L163-L166 PolarHBondContact O-N 3.15Å; L163-L166 VanDerWaalsContact O-N 3.09Å; L163-A167 WeakPolarHBondContact O-CB 3.35Å; L163-A167 PolarHBondContact O-N 2.85Å; L163-E192 HydrophobicContact CD2-CB 3.58Å
164	D	76.9	Confident	85.9	Confident	96 Å²	96	36.8 Å²	36.8	51%	0.513	19%	0.186	S	C	.	.	H	α-helix	trans	-55.3	-38.2	-175.4	-56.2	-86.5	0	0	0	113.3	R162 H168 M256	R162-D164 PolarHBondContact O-N 3.48Å; D164-H168 WeakPolarHBondContact O-CB 3.35Å; D164-H168 PolarHBondContact O-N 3.34Å; D164-M256 HydrophobicContact CB-CE 4.46Å
165	S	76.4	Confident	85.8	Confident	42 Å²	42	37.4 Å²	37.4	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-71	-37.6	-179.2	-64.8	0	0	0	0	111.8	R162 L163 C169	R162-S165 PolarHBondContact O-N 2.84Å; R162-S165 VanDerWaalsContact O-N 3.1Å; L163-S165 VanDerWaalsContact C-N 3.27Å; L163-S165 PolarHBondContact O-N 2.85Å; S165-C169 PolarHBondContact O-N 2.93Å; S165-C169 PolarHBondContact O-SG 3.46Å
166	L	82.5	Confident	85.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.1	-49.3	174.9	175.5	56.2	0	0	0	110.6	F133 L157 L161 R162 L163 H168 C169 L170 F190	F133-L166 HydrophobicContact CD2-CD1 3.77Å; F133-L166 HydrophobicContact CE2-CD1 3.56Å; F133-L166 HydrophobicContact CE2-CD2 4.08Å; F133-L166 HydrophobicContact CE2-CG 4.43Å; F133-L166 HydrophobicContact CZ-CD1 4.45Å; F133-L166 HydrophobicContact CZ-CD2 4.16Å; L157-L166 HydrophobicContact CD1-CD1 3.93Å; L161-L166 HydrophobicContact CB-CB 4.05Å; R162-L166 PolarHBondContact O-N 3.42Å; L163-L166 PolarHBondContact O-N 3.15Å; L163-L166 VanDerWaalsContact O-N 3.09Å; L166-H168 VanDerWaalsContact C-N 3.32Å; L166-H168 PolarHBondContact O-N 3.33Å; L166-C169 WeakPolarHBondContact O-CB 3.23Å; L166-C169 PolarHBondContact O-N 3.43Å; L166-C169 VanDerWaalsContact O-N 3.09Å; L166-L170 HydrophobicContact CD1-CD1 4.26Å; L166-L170 HydrophobicContact CD1-CG 4.45Å; L166-L170 HydrophobicContact CG-CD1 4.22Å; L166-L170 PolarHBondContact O-N 2.84Å; L166-L170 VanDerWaalsContact O-N 3.08Å; L166-F190 HydrophobicContact CD2-CB 4.23Å; L166-F190 HydrophobicContact CD2-CD2 4.25Å
167	A	86.1	Confident	85.7	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-44.2	177.7	0	0	0	0	0	111.9	L163 C169 L170 N171 L198 V199	L163-A167 WeakPolarHBondContact O-CB 3.35Å; L163-A167 PolarHBondContact O-N 2.85Å; A167-C169 VanDerWaalsContact C-N 3.3Å; A167-C169 PolarHBondContact O-N 2.83Å; A167-L170 PolarHBondContact O-N 3.32Å; A167-N171 WeakPolarHBondContact O-CB 3.38Å; A167-N171 PolarHBondContact O-N 3.02Å; A167-N171 PolarHBondContact O-ND2 2.88Å; A167-N171 PolarHBondContact O-OD1 2.82Å; A167-L198 HydrophobicContact CB-CB 3.47Å; A167-L198 VanDerWaalsContact CB-CB 3.47Å; A167-L198 HydrophobicContact CB-CD1 4.49Å; A167-V199 HydrophobicContact CB-CG2 3.99Å
168	H	85.2	Confident	85.9	Confident	67 Å²	67	41.5 Å²	41.5	31%	0.31	21%	0.209	S	C	.	.	H	α-helix	trans	-56.7	-43.7	174.3	178.9	76.1	0	0	0	112.2	D164 L166 A172 M256 P257	D164-H168 WeakPolarHBondContact O-CB 3.35Å; D164-H168 PolarHBondContact O-N 3.34Å; L166-H168 VanDerWaalsContact C-N 3.32Å; L166-H168 PolarHBondContact O-N 3.33Å; H168-A172 WeakPolarHBondContact O-CA 3.33Å; H168-A172 WeakPolarHBondContact O-CB 3.27Å; H168-A172 PolarHBondContact O-N 2.92Å; H168-M256 HydrophobicContact CB-CE 3.46Å; H168-M256 VanDerWaalsContact CB-CE 3.46Å; H168-P257 PolarHBondContact CD2-O 3.5Å; H168-P257 VanDerWaalsContact CD2-O 3.31Å; H168-P257 PolarHBondContact NE2-O 2.95Å
169	C	87.5	Confident	86.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-43.6	179.8	-67.8	0	0	0	0	111.9	L157 S165 L166 A167 A173 Y249	L157-C169 HydrophobicContact CD2-CB 3.45Å; L157-C169 VanDerWaalsContact CD2-CB 3.45Å; S165-C169 PolarHBondContact O-N 2.93Å; S165-C169 PolarHBondContact O-SG 3.46Å; L166-C169 WeakPolarHBondContact O-CB 3.23Å; L166-C169 PolarHBondContact O-N 3.43Å; L166-C169 VanDerWaalsContact O-N 3.09Å; A167-C169 VanDerWaalsContact C-N 3.3Å; A167-C169 PolarHBondContact O-N 2.83Å; C169-A173 WeakPolarHBondContact O-CB 3.42Å; C169-A173 PolarHBondContact O-N 3.45Å; C169-A173 VanDerWaalsContact O-N 3.15Å; C169-Y249 HydrophobicContact CB-CD1 3.95Å; C169-Y249 HydrophobicContact CB-CE1 3.45Å; C169-Y249 VanDerWaalsContact CB-CE1 3.45Å; C169-Y249 HydrophobicContact CB-CE2 4.49Å; C169-Y249 WeakPolarHBondContact O-CE1 3.35Å; C169-Y249 PolarHBondContact O-OH 2.75Å; C169-Y249 VanDerWaalsContact SG-CD1 3.6Å
170	L	91.7	Very high	86.8	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-51.6	178.1	-71.8	166.9	0	0	0	111.5	A131 L157 L166 A167 A173 K174 A175 L178 F190 V199 L203	A131-L170 HydrophobicContact CB-CD2 3.67Å; L157-L170 HydrophobicContact CD1-CD2 3.71Å; L157-L170 HydrophobicContact CD1-CG 4.17Å; L166-L170 HydrophobicContact CD1-CD1 4.26Å; L166-L170 HydrophobicContact CD1-CG 4.45Å; L166-L170 HydrophobicContact CG-CD1 4.22Å; L166-L170 PolarHBondContact O-N 2.84Å; L166-L170 VanDerWaalsContact O-N 3.08Å; A167-L170 PolarHBondContact O-N 3.32Å; L170-A173 PolarHBondContact O-N 3.06Å; L170-K174 PolarHBondContact O-N 3.26Å; L170-K174 VanDerWaalsContact O-N 3.1Å; L170-A175 HydrophobicContact CD2-CB 4.04Å; L170-A175 PolarHBondContact O-N 3.42Å; L170-A175 VanDerWaalsContact O-N 3.12Å; L170-L178 HydrophobicContact CD2-CD1 4.27Å; L170-F190 HydrophobicContact CD1-CE2 4.18Å; L170-V199 HydrophobicContact CB-CG1 4.42Å; L170-V199 HydrophobicContact CD1-CG1 4.03Å; L170-V199 HydrophobicContact CD1-CG2 3.98Å; L170-L203 HydrophobicContact CD1-CD2 4.12Å; L170-L203 HydrophobicContact CD2-CD2 4.25Å
171	N	91.4	Very high	87.5	Confident	50 Å²	50	36.6 Å²	36.6	27%	0.267	18%	0.183	S	C	.	.	H	α-helix	trans	-68.7	-41.9	-177.8	-60.5	-10.5	0	0	0	111.3	A167 A173 K174 L198 D200	A167-N171 WeakPolarHBondContact O-CB 3.38Å; A167-N171 PolarHBondContact O-N 3.02Å; A167-N171 PolarHBondContact O-ND2 2.88Å; A167-N171 PolarHBondContact O-OD1 2.82Å; N171-A173 VanDerWaalsContact C-N 3.25Å; N171-A173 PolarHBondContact O-N 3.22Å; N171-K174 PolarHBondContact O-N 3.49Å; N171-L198 PolarHBondContact ND2-O 2.87Å; N171-D200 PolarHBondContact OD1-N 2.87Å
172	A	89	Confident	88.1	Confident	30 Å²	30	37.8 Å²	37.8	25%	0.248	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-38.5	178.3	0	0	0	0	0	111.4	H168 K174 L472	H168-A172 WeakPolarHBondContact O-CA 3.33Å; H168-A172 WeakPolarHBondContact O-CB 3.27Å; H168-A172 PolarHBondContact O-N 2.92Å; A172-K174 VanDerWaalsContact C-N 3.31Å; A172-L472 WeakPolarHBondContact O-CD2 3.2Å
173	A	91.9	Very high	88.7	Confident	2 Å²	2	36 Å²	36	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-81.7	-6.9	176.1	0	0	0	0	0	114	V129 A155 C169 L170 N171 A175 Y247 Y249	V129-A173 HydrophobicContact CG1-CB 4.18Å; V129-A173 WeakPolarHBondContact CG2-O 3.42Å; A155-A173 HydrophobicContact CB-CB 4.16Å; C169-A173 WeakPolarHBondContact O-CB 3.42Å; C169-A173 PolarHBondContact O-N 3.45Å; C169-A173 VanDerWaalsContact O-N 3.15Å; L170-A173 PolarHBondContact O-N 3.06Å; N171-A173 VanDerWaalsContact C-N 3.25Å; N171-A173 PolarHBondContact O-N 3.22Å; A173-A175 VanDerWaalsContact C-N 3.28Å; A173-A175 PolarHBondContact O-N 2.97Å; A173-Y247 HydrophobicContact CB-CD2 3.88Å; A173-Y247 HydrophobicContact CB-CE2 4.24Å; A173-Y249 WeakPolarHBondContact CB-OH 3.37Å
174	K	92.6	Very high	89.1	Confident	163 Å²	163	33.5 Å²	33.5	71%	0.709	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	46.9	-173.2	-55	-177.2	178.5	-173.8	0	111.6	L170 N171 A172 K176	L170-K174 PolarHBondContact O-N 3.26Å; L170-K174 VanDerWaalsContact O-N 3.1Å; N171-K174 PolarHBondContact O-N 3.49Å; A172-K174 VanDerWaalsContact C-N 3.31Å; K174-K176 PolarHBondContact O-N 2.9Å
175	A	94.6	Very high	89.3	Confident	14 Å²	14	31 Å²	31	12%	0.116	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	129.4	-179.8	0	0	0	0	0	110.6	V129 A131 L170 A173 L203	V129-A175 HydrophobicContact CG1-CB 4.44Å; A131-A175 HydrophobicContact CB-CB 3.89Å; L170-A175 HydrophobicContact CD2-CB 4.04Å; L170-A175 PolarHBondContact O-N 3.42Å; L170-A175 VanDerWaalsContact O-N 3.12Å; A173-A175 VanDerWaalsContact C-N 3.28Å; A173-A175 PolarHBondContact O-N 2.97Å; A175-L203 HydrophobicContact CB-CD1 3.98Å; A175-L203 WeakPolarHBondContact O-CD1 3.25Å
176	K	95.6	Very high	89	Confident	97 Å²	97	33.8 Å²	33.8	42%	0.422	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-25.7	173.5	-71.6	-167.6	178.3	176.3	0	112.9	L124 D128 V129 K174 L204	L124-K176 HydrophobicContact CD2-CB 4.25Å; D128-K176 HydrophobicContact CB-CD 4.05Å; D128-K176 WeakPolarHBondContact OD1-CE 3.25Å; D128-K176 IonicContact OD1-NZ 3.59Å; D128-K176 PolarHBondContact OD1-NZ 3.38Å; D128-K176 IonicContact OD2-NZ 3.45Å; D128-K176 PolarHBondContact OD2-NZ 3.39Å; D128-K176 VanDerWaalsContact OD2-NZ 3.12Å; V129-K176 PolarHBondContact O-N 3.24Å; K174-K176 PolarHBondContact O-N 2.9Å; K176-L204 PolarHBondContact O-N 3.36Å
177	C	95.9	Very high	88.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.9	176.8	-179.2	0	0	0	0	110.2	L124 V129 V130 A131 L204	L124-C177 HydrophobicContact CD1-CB 4.19Å; V129-C177 PolarHBondContact O-N 3.24Å; V130-C177 CarbonylContact C-O 3.53Å; V130-C177 WeakPolarHBondContact CA-O 3.39Å; V130-C177 HydrophobicContact CG1-CB 4.33Å; V130-C177 HydrophobicContact CG2-CB 4.36Å; A131-C177 PolarHBondContact N-O 2.8Å; C177-L204 CarbonylContact C-O 3.44Å; C177-L204 WeakPolarHBondContact CA-O 3.37Å; C177-L204 HydrophobicContact CB-CB 4.43Å
178	L	94.9	Very high	87	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125	170.6	174.2	64.4	0	0	0	110	A131 F133 L157 L170 F190 L203 L204 V206	A131-L178 HydrophobicContact CB-CD1 3.83Å; A131-L178 CarbonylContact O-C 3.6Å; A131-L178 WeakPolarHBondContact O-CA 3.44Å; F133-L178 HydrophobicContact CB-CD1 3.85Å; L157-L178 HydrophobicContact CD1-CD1 4.16Å; L170-L178 HydrophobicContact CD2-CD1 4.27Å; L178-F190 HydrophobicContact CD2-CD1 4.33Å; L178-F190 HydrophobicContact CD2-CD2 3.55Å; L178-F190 HydrophobicContact CD2-CE1 4Å; L178-F190 HydrophobicContact CD2-CE2 3.19Å; L178-F190 HydrophobicContact CD2-CG 4.11Å; L178-F190 HydrophobicContact CD2-CZ 3.42Å; L178-F190 VanDerWaalsContact CD2-CZ 3.42Å; L178-L203 HydrophobicContact CB-CD1 4.22Å; L178-L203 HydrophobicContact CB-CD2 4.09Å; L178-L203 HydrophobicContact CB-CG 4.32Å; L178-L204 PolarHBondContact N-O 2.82Å; L178-V206 PolarHBondContact O-N 3.27Å
179	I	95.5	Very high	86.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.7	166.2	-49.7	171.8	0	0	0	107.8	F118 V130 A131 I132 F133 M134 F143 V206 L220	F118-I179 HydrophobicContact CZ-CD1 3.74Å; F118-I179 HydrophobicContact CZ-CG1 4.4Å; V130-I179 HydrophobicContact CG1-CD1 3.78Å; V130-I179 HydrophobicContact CG1-CG1 3.85Å; A131-I179 PolarHBondContact O-N 3.12Å; I132-I179 HydrophobicContact CG1-CB 4.33Å; F133-I179 PolarHBondContact N-O 3.14Å; M134-I179 HydrophobicContact CE-CG2 4.18Å; F143-I179 HydrophobicContact CB-CD1 4.5Å; F143-I179 HydrophobicContact CD1-CD1 3.54Å; F143-I179 HydrophobicContact CD2-CD1 4.5Å; F143-I179 HydrophobicContact CE1-CD1 3.82Å; F143-I179 HydrophobicContact CE1-CG2 4.39Å; F143-I179 HydrophobicContact CE2-CG2 4.3Å; F143-I179 HydrophobicContact CG-CD1 3.94Å; F143-I179 HydrophobicContact CZ-CD1 4.4Å; F143-I179 HydrophobicContact CZ-CG2 4.04Å; I179-V206 HydrophobicContact CB-CG2 4.41Å; I179-V206 HydrophobicContact CG1-CG2 4.08Å; I179-L220 HydrophobicContact CD1-CD2 4.49Å; I179-L220 HydrophobicContact CG1-CD2 4.39Å; I179-L220 HydrophobicContact CG2-CD2 4.01Å
180	L	92.6	Very high	85.5	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.8	179.6	178.2	58.7	0	0	0	110.1	F133 E182 L184 L185 F190 V206 V207 Y208	F133-L180 HydrophobicContact CB-CD1 4.33Å; F133-L180 HydrophobicContact CD1-CD1 3.58Å; F133-L180 HydrophobicContact CE1-CD1 4.38Å; F133-L180 HydrophobicContact CG-CD1 4.38Å; L180-E182 PolarHBondContact O-N 2.97Å; L180-L184 HydrophobicContact CD1-CB 4Å; L180-L185 HydrophobicContact CD2-CD2 3.52Å; L180-L185 HydrophobicContact CD2-CG 4.06Å; L180-L185 HydrophobicContact CG-CD2 4.49Å; L180-F190 HydrophobicContact CD2-CD1 3.85Å; L180-F190 HydrophobicContact CD2-CE1 4.49Å; L180-F190 HydrophobicContact CD2-CG 4.44Å; L180-V206 PolarHBondContact N-O 2.64Å; L180-V207 CarbonylContact O-C 3.51Å; L180-V207 VanDerWaalsContact O-CA 3.31Å; L180-V207 WeakPolarHBondContact O-CA 3.34Å; L180-Y208 PolarHBondContact O-N 2.84Å
181	E	91.7	Very high	84.7	Confident	13 Å²	13	41.1 Å²	41.1	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132	169.9	-167.6	177.2	-178	0	0	111	F133 M134 Q135 R137 C183 L184	F133-E181 PolarHBondContact O-N 3.06Å; M134-E181 HydrophobicContact CB-CB 4.08Å; M134-E181 HydrophobicContact CE-CB 4.3Å; M134-E181 HydrophobicContact CG-CB 3.88Å; M134-E181 HydrophobicContact CG-CG 4.11Å; Q135-E181 VanDerWaalsContact CB-OE2 3.31Å; Q135-E181 WeakPolarHBondContact CB-OE2 3.34Å; Q135-E181 WeakPolarHBondContact CG-OE2 3.36Å; Q135-E181 PolarHBondContact N-OE2 2.68Å; R137-E181 IonicContact NH1-OE1 2.7Å; E181-C183 VanDerWaalsContact C-N 3.27Å; E181-C183 PolarHBondContact O-N 3.07Å; E181-C183 PolarHBondContact OE1-SG 3.5Å; E181-L184 HydrophobicContact CB-CD1 4.07Å; E181-L184 HydrophobicContact CB-CG 4.26Å; E181-L184 WeakPolarHBondContact O-CB 3.32Å; E181-L184 PolarHBondContact O-N 3.14Å
182	E	89.5	Confident	83.9	Confident	51 Å²	51	42.5 Å²	42.5	24%	0.238	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-47.3	-46.4	178.4	172.7	-148.3	129.9	0	0	113.2	L180 L184 L185 V207 Y208 G209 D210 D211	L180-E182 PolarHBondContact O-N 2.97Å; E182-L184 PolarHBondContact O-N 3.3Å; E182-L185 WeakPolarHBondContact O-CB 3.29Å; E182-L185 PolarHBondContact O-N 3.16Å; E182-V207 HydrophobicContact CB-CG1 3.92Å; E182-Y208 PolarHBondContact N-O 2.85Å; E182-G209 VanDerWaalsContact OE2-C 3.24Å; E182-G209 WeakPolarHBondContact OE2-CA 3.33Å; E182-D210 PolarHBondContact OE2-N 2.98Å; E182-D211 HydrophobicContact CG-CB 3.77Å; E182-D211 VanDerWaalsContact OE1-CB 3.24Å; E182-D211 WeakPolarHBondContact OE1-CB 3.4Å; E182-D211 WeakPolarHBondContact OE2-CB 3.46Å; E182-D211 PolarHBondContact OE2-N 3.38Å
183	C	85.8	Confident	83.3	Confident	58 Å²	58	41 Å²	41	39%	0.392	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-65.5	-10.5	-176.6	73.2	0	0	0	0	114.1	Q135 E181	Q135-C183 PolarHBondContact NE2-SG 3.09Å; E181-C183 VanDerWaalsContact C-N 3.27Å; E181-C183 PolarHBondContact O-N 3.07Å; E181-C183 PolarHBondContact OE1-SG 3.5Å
184	L	84.1	Confident	82.6	Confident	13 Å²	13	43.6 Å²	43.6	7%	0.068	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-97.5	-10.4	177.5	-59.3	175.2	0	0	0	112.9	F133 F159 L180 E181 E182 C187	F133-L184 HydrophobicContact CD1-CB 4.5Å; F133-L184 HydrophobicContact CD1-CD1 3.61Å; F133-L184 HydrophobicContact CE1-CB 4.43Å; F133-L184 HydrophobicContact CE1-CD1 3.83Å; F159-L184 HydrophobicContact CB-CD1 3.8Å; L180-L184 HydrophobicContact CD1-CB 4Å; E181-L184 HydrophobicContact CB-CD1 4.07Å; E181-L184 HydrophobicContact CB-CG 4.26Å; E181-L184 WeakPolarHBondContact O-CB 3.32Å; E181-L184 PolarHBondContact O-N 3.14Å; E182-L184 PolarHBondContact O-N 3.3Å; L184-C187 PolarHBondContact O-N 3.45Å
185	L	80.6	Confident	81.9	Confident	43 Å²	43	41.1 Å²	41.1	23%	0.225	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-55.4	-48.6	173.6	-76.7	166.8	0	0	0	112.6	L180 E182 C187 N188 V207 T215 Y217	L180-L185 HydrophobicContact CD2-CD2 3.52Å; L180-L185 HydrophobicContact CD2-CG 4.06Å; L180-L185 HydrophobicContact CG-CD2 4.49Å; E182-L185 WeakPolarHBondContact O-CB 3.29Å; E182-L185 PolarHBondContact O-N 3.16Å; L185-C187 PolarHBondContact O-N 2.88Å; L185-C187 VanDerWaalsContact O-N 3.16Å; L185-N188 PolarHBondContact O-N 3.18Å; L185-V207 HydrophobicContact CD1-CG1 3.8Å; L185-V207 HydrophobicContact CD1-CG2 3.9Å; L185-V207 HydrophobicContact CD2-CG2 3.99Å; L185-V207 HydrophobicContact CG-CG2 4.24Å; L185-T215 HydrophobicContact CD1-CG2 4.45Å; L185-Y217 HydrophobicContact CD2-CD2 3.95Å; L185-Y217 HydrophobicContact CD2-CE2 3.98Å
186	P	70.7	Confident	81.2	Confident	102 Å²	102	43.1 Å²	43.1	66%	0.662	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-67.5	-20.7	-174.5	-19.7	33.5	0	0	0	113.4	N188	P186-N188 PolarHBondContact O-N 3.33Å; P186-N188 VanDerWaalsContact O-N 3.15Å
187	C	65.6	Low	80.5	Confident	60 Å²	60	46.8 Å²	46.8	41%	0.405	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-71.7	-4.1	-178.6	-58.4	0	0	0	0	112.9	L184 L185 N189	L184-C187 PolarHBondContact O-N 3.45Å; L185-C187 PolarHBondContact O-N 2.88Å; L185-C187 VanDerWaalsContact O-N 3.16Å; C187-N189 WeakPolarHBondContact CB-ND2 3.21Å; C187-N189 VanDerWaalsContact O-CG 3.27Å; C187-N189 PolarHBondContact O-N 3.06Å; C187-N189 PolarHBondContact O-OD1 3.46Å
188	N	61.2	Low	79.9	Confident	87 Å²	87	49.4 Å²	49.4	47%	0.465	27%	0.269	S	S	.	.			trans	54.8	-6.6	179.7	-79.8	-10.5	0	0	0	116.9	L185 P186 F190 Q191 E192	L185-N188 PolarHBondContact O-N 3.18Å; P186-N188 PolarHBondContact O-N 3.33Å; P186-N188 VanDerWaalsContact O-N 3.15Å; N188-F190 PolarHBondContact O-N 3.12Å; N188-Q191 CarbonylContact O-C 3.56Å; N188-Q191 PolarHBondContact O-N 3.36Å; N188-E192 HydrophobicContact CB-CG 4.14Å; N188-E192 WeakPolarHBondContact O-CB 3.26Å; N188-E192 VanDerWaalsContact O-CG 3.3Å; N188-E192 WeakPolarHBondContact O-CG 3.38Å; N188-E192 PolarHBondContact O-N 3.4Å
189	N	66.3	Low	79.3	Confident	15 Å²	15	50 Å²	50	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-52.6	-39.4	-174.5	-51.6	-44.8	0	0	0	114.5	R162 C187	R162-N189 WeakPolarHBondContact CD-OD1 3.38Å; R162-N189 PolarHBondContact NE-ND2 2.79Å; R162-N189 PolarHBondContact NE-OD1 2.97Å; R162-N189 PolarHBondContact NH1-ND2 2.7Å; R162-N189 PolarHBondContact NH2-ND2 3.01Å; C187-N189 WeakPolarHBondContact CB-ND2 3.21Å; C187-N189 VanDerWaalsContact O-CG 3.27Å; C187-N189 PolarHBondContact O-N 3.06Å; C187-N189 PolarHBondContact O-OD1 3.46Å
190	F	74.1	Confident	78.5	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-79.6	-44.3	177	172.7	-112.2	0	0	0	111.3	L166 L170 L178 L180 N188 E192 A193 I194 L203 V205	L166-F190 HydrophobicContact CD2-CB 4.23Å; L166-F190 HydrophobicContact CD2-CD2 4.25Å; L170-F190 HydrophobicContact CD1-CE2 4.18Å; L178-F190 HydrophobicContact CD2-CD1 4.33Å; L178-F190 HydrophobicContact CD2-CD2 3.55Å; L178-F190 HydrophobicContact CD2-CE1 4Å; L178-F190 HydrophobicContact CD2-CE2 3.19Å; L178-F190 HydrophobicContact CD2-CG 4.11Å; L178-F190 HydrophobicContact CD2-CZ 3.42Å; L178-F190 VanDerWaalsContact CD2-CZ 3.42Å; L180-F190 HydrophobicContact CD2-CD1 3.85Å; L180-F190 HydrophobicContact CD2-CE1 4.49Å; L180-F190 HydrophobicContact CD2-CG 4.44Å; N188-F190 PolarHBondContact O-N 3.12Å; F190-E192 VanDerWaalsContact C-N 3.29Å; F190-E192 PolarHBondContact O-N 3.22Å; F190-A193 WeakPolarHBondContact O-CB 3.33Å; F190-A193 PolarHBondContact O-N 2.89Å; F190-A193 VanDerWaalsContact O-N 3.1Å; F190-I194 HydrophobicContact CD1-CD1 3.83Å; F190-I194 HydrophobicContact CE1-CD1 3.1Å; F190-I194 HydrophobicContact CE1-CG1 4.08Å; F190-I194 HydrophobicContact CE2-CD1 3.89Å; F190-I194 HydrophobicContact CE2-CG1 3.97Å; F190-I194 HydrophobicContact CG-CD1 4.48Å; F190-I194 HydrophobicContact CZ-CD1 3.14Å; F190-I194 HydrophobicContact CZ-CG1 3.71Å; F190-I194 PolarHBondContact O-N 3.31Å; F190-L203 HydrophobicContact CE2-CD2 4.17Å; F190-L203 HydrophobicContact CZ-CD2 4.28Å; F190-V205 HydrophobicContact CE1-CB 4.35Å; F190-V205 HydrophobicContact CE1-CG1 3.74Å; F190-V205 HydrophobicContact CE1-CG2 3.69Å; F190-V205 HydrophobicContact CZ-CB 4.47Å; F190-V205 HydrophobicContact CZ-CG1 4.19Å; F190-V205 HydrophobicContact CZ-CG2 3.43Å; F190-V205 VanDerWaalsContact CZ-CG2 3.43Å
191	Q	74.9	Confident	77.4	Confident	57 Å²	57	61.8 Å²	61.8	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-38.7	179.3	-166	62.3	57.3	0	0	111.7	N188 A193 I194 N195 Y217	N188-Q191 CarbonylContact O-C 3.56Å; N188-Q191 PolarHBondContact O-N 3.36Å; Q191-A193 VanDerWaalsContact C-N 3.34Å; Q191-A193 PolarHBondContact O-N 3.17Å; Q191-I194 PolarHBondContact O-N 2.91Å; Q191-N195 PolarHBondContact NE2-OD1 3.45Å; Q191-N195 VanDerWaalsContact O-CB 3.26Å; Q191-N195 WeakPolarHBondContact O-CB 3.46Å; Q191-N195 PolarHBondContact O-N 3.35Å; Q191-N195 PolarHBondContact O-ND2 2.98Å; Q191-N195 PolarHBondContact O-OD1 2.91Å; Q191-Y217 PolarHBondContact OE1-OH 2.97Å
192	E	74.4	Confident	77	Confident	78 Å²	78	68.3 Å²	68.3	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-41.5	174.1	-73.2	170.3	-170.7	0	0	111.6	L163 N188 F190 N195 A196	L163-E192 HydrophobicContact CD2-CB 3.58Å; N188-E192 HydrophobicContact CB-CG 4.14Å; N188-E192 WeakPolarHBondContact O-CB 3.26Å; N188-E192 VanDerWaalsContact O-CG 3.3Å; N188-E192 WeakPolarHBondContact O-CG 3.38Å; N188-E192 PolarHBondContact O-N 3.4Å; F190-E192 VanDerWaalsContact C-N 3.29Å; F190-E192 PolarHBondContact O-N 3.22Å; E192-N195 PolarHBondContact O-N 2.75Å; E192-A196 WeakPolarHBondContact O-CB 3.47Å; E192-A196 PolarHBondContact O-N 2.91Å
193	A	76.6	Confident	77.1	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-39.5	176.8	0	0	0	0	0	112.2	F190 Q191 K197 L198 V199	F190-A193 WeakPolarHBondContact O-CB 3.33Å; F190-A193 PolarHBondContact O-N 2.89Å; F190-A193 VanDerWaalsContact O-N 3.1Å; Q191-A193 VanDerWaalsContact C-N 3.34Å; Q191-A193 PolarHBondContact O-N 3.17Å; A193-K197 PolarHBondContact O-N 3.18Å; A193-L198 PolarHBondContact O-N 3.36Å; A193-V199 HydrophobicContact CB-CG2 4.08Å
194	I	77.8	Confident	77.4	Confident	56 Å²	56	68.3 Å²	68.3	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-49.4	172.1	-65.6	167.2	0	0	0	110.6	F190 Q191 A196 K197	F190-I194 HydrophobicContact CD1-CD1 3.83Å; F190-I194 HydrophobicContact CE1-CD1 3.1Å; F190-I194 HydrophobicContact CE1-CG1 4.08Å; F190-I194 HydrophobicContact CE2-CD1 3.89Å; F190-I194 HydrophobicContact CE2-CG1 3.97Å; F190-I194 HydrophobicContact CG-CD1 4.48Å; F190-I194 HydrophobicContact CZ-CD1 3.14Å; F190-I194 HydrophobicContact CZ-CG1 3.71Å; F190-I194 PolarHBondContact O-N 3.31Å; Q191-I194 PolarHBondContact O-N 2.91Å; I194-A196 PolarHBondContact O-N 3.38Å; I194-K197 WeakPolarHBondContact O-CA 3.22Å; I194-K197 PolarHBondContact O-N 3.49Å
195	N	77.8	Confident	77.8	Confident	110 Å²	110	68.7 Å²	68.7	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-62.1	-35.3	-176.2	-69.4	-5.3	0	0	0	111.3	Q191 E192 K197	Q191-N195 PolarHBondContact NE2-OD1 3.45Å; Q191-N195 VanDerWaalsContact O-CB 3.26Å; Q191-N195 WeakPolarHBondContact O-CB 3.46Å; Q191-N195 PolarHBondContact O-N 3.35Å; Q191-N195 PolarHBondContact O-ND2 2.98Å; Q191-N195 PolarHBondContact O-OD1 2.91Å; E192-N195 PolarHBondContact O-N 2.75Å; N195-K197 PolarHBondContact O-N 2.86Å
196	A	80.3	Confident	78.4	Confident	56 Å²	56	66.8 Å²	66.8	46%	0.463	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	1.9	173	0	0	0	0	0	113.8	E192 I194 L198	E192-A196 WeakPolarHBondContact O-CB 3.47Å; E192-A196 PolarHBondContact O-N 2.91Å; I194-A196 PolarHBondContact O-N 3.38Å; A196-L198 HydrophobicContact CB-CD1 3.91Å; A196-L198 HydrophobicContact CB-CG 3.77Å; A196-L198 PolarHBondContact O-N 2.92Å
197	K	80.9	Confident	79.5	Confident	175 Å²	175	62.2 Å²	62.2	76%	0.761	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	35	-178.3	-57.6	-178.7	-179.8	179.6	0	113.1	A193 I194 N195	A193-K197 PolarHBondContact O-N 3.18Å; I194-K197 WeakPolarHBondContact O-CA 3.22Å; I194-K197 PolarHBondContact O-N 3.49Å; N195-K197 PolarHBondContact O-N 2.86Å
198	L	81.8	Confident	80.9	Confident	55 Å²	55	59.6 Å²	59.6	29%	0.288	31%	0.313	S	S	.	.			trans	-86.2	-17.5	180	-60.8	175.6	0	0	0	112.2	A167 N171 A193 A196	A167-L198 HydrophobicContact CB-CB 3.47Å; A167-L198 VanDerWaalsContact CB-CB 3.47Å; A167-L198 HydrophobicContact CB-CD1 4.49Å; N171-L198 PolarHBondContact ND2-O 2.87Å; A193-L198 PolarHBondContact O-N 3.36Å; A196-L198 HydrophobicContact CB-CD1 3.91Å; A196-L198 HydrophobicContact CB-CG 3.77Å; A196-L198 PolarHBondContact O-N 2.92Å
199	V	82.6	Confident	82.3	Confident	12 Å²	12	55.6 Å²	55.6	7%	0.073	29%	0.292	C	S	.	.	S	Bend	trans	-105.5	141.9	-177.9	-173.9	0	0	0	0	109.4	A167 L170 A193 N201 L203	A167-V199 HydrophobicContact CB-CG2 3.99Å; L170-V199 HydrophobicContact CB-CG1 4.42Å; L170-V199 HydrophobicContact CD1-CG1 4.03Å; L170-V199 HydrophobicContact CD1-CG2 3.98Å; A193-V199 HydrophobicContact CB-CG2 4.08Å; V199-N201 PolarHBondContact O-N 2.69Å; V199-L203 HydrophobicContact CG1-CB 4.2Å; V199-L203 HydrophobicContact CG1-CD2 3.5Å; V199-L203 HydrophobicContact CG1-CG 4.46Å
200	D	78.5	Confident	83.3	Confident	99 Å²	99	59.6 Å²	59.6	53%	0.529	31%	0.313	S	S	.	.			trans	-54.7	134.4	176.2	-72.6	-26.2	0	0	0	111.6	N171 D202 L203	N171-D200 PolarHBondContact OD1-N 2.87Å; D200-D202 PolarHBondContact O-N 3.08Å; D200-D202 VanDerWaalsContact O-N 3.11Å; D200-L203 PolarHBondContact O-N 3.25Å
201	N	69.5	Low	83.7	Confident	151 Å²	151	61.2 Å²	61.2	81%	0.807	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.1	-171.5	-72.2	-27.1	0	0	0	114.6	V199 L203	V199-N201 PolarHBondContact O-N 2.69Å; N201-L203 VanDerWaalsContact C-N 3.32Å
202	D	85	Confident	84	Confident	150 Å²	150	64 Å²	64	80%	0.802	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	5.4	-177	-61	-27	0	0	0	113.3	D200 L204	D200-D202 PolarHBondContact O-N 3.08Å; D200-D202 VanDerWaalsContact O-N 3.11Å; D202-L204 PolarHBondContact O-N 3.21Å
203	L	90.8	Very high	84.2	Confident	24 Å²	24	69.3 Å²	69.3	13%	0.126	35%	0.352	C	S	.	.			trans	-69.8	113.5	-179.6	-178	69.1	0	0	0	111.4	L170 A175 L178 F190 V199 D200 N201 V205	L170-L203 HydrophobicContact CD1-CD2 4.12Å; L170-L203 HydrophobicContact CD2-CD2 4.25Å; A175-L203 HydrophobicContact CB-CD1 3.98Å; A175-L203 WeakPolarHBondContact O-CD1 3.25Å; L178-L203 HydrophobicContact CB-CD1 4.22Å; L178-L203 HydrophobicContact CB-CD2 4.09Å; L178-L203 HydrophobicContact CB-CG 4.32Å; F190-L203 HydrophobicContact CE2-CD2 4.17Å; F190-L203 HydrophobicContact CZ-CD2 4.28Å; V199-L203 HydrophobicContact CG1-CB 4.2Å; V199-L203 HydrophobicContact CG1-CD2 3.5Å; V199-L203 HydrophobicContact CG1-CG 4.46Å; D200-L203 PolarHBondContact O-N 3.25Å; N201-L203 VanDerWaalsContact C-N 3.32Å; L203-V205 HydrophobicContact CG-CG2 4.5Å
204	L	92.5	Very high	84.2	Confident	84 Å²	84	78.7 Å²	78.7	44%	0.44	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.8	172.5	-65.2	171.7	0	0	0	110.8	K176 C177 L178 D202	K176-L204 PolarHBondContact O-N 3.36Å; C177-L204 CarbonylContact C-O 3.44Å; C177-L204 WeakPolarHBondContact CA-O 3.37Å; C177-L204 HydrophobicContact CB-CB 4.43Å; L178-L204 PolarHBondContact N-O 2.82Å; D202-L204 PolarHBondContact O-N 3.21Å
205	V	91.9	Very high	84.3	Confident	21 Å²	21	79 Å²	79	13%	0.127	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.5	179.9	-174.6	0	0	0	0	110.2	F190 L203 Y217	F190-V205 HydrophobicContact CE1-CB 4.35Å; F190-V205 HydrophobicContact CE1-CG1 3.74Å; F190-V205 HydrophobicContact CE1-CG2 3.69Å; F190-V205 HydrophobicContact CZ-CB 4.47Å; F190-V205 HydrophobicContact CZ-CG1 4.19Å; F190-V205 HydrophobicContact CZ-CG2 3.43Å; F190-V205 VanDerWaalsContact CZ-CG2 3.43Å; L203-V205 HydrophobicContact CG-CG2 4.5Å; V205-Y217 HydrophobicContact CB-CD1 3.54Å; V205-Y217 HydrophobicContact CB-CE1 3.68Å; V205-Y217 HydrophobicContact CB-CG 4.37Å; V205-Y217 HydrophobicContact CG1-CD1 3.61Å; V205-Y217 HydrophobicContact CG1-CE1 3.77Å; V205-Y217 HydrophobicContact CG1-CG 3.99Å; V205-Y217 HydrophobicContact CG2-CD1 4.46Å; V205-Y217 HydrophobicContact CG2-CE1 4.12Å
206	V	93.6	Very high	84.6	Confident	4 Å²	4	78.4 Å²	78.4	2%	0.024	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.4	171.7	-60.7	0	0	0	0	109.8	L178 I179 L180 V218 L220	L178-V206 PolarHBondContact O-N 3.27Å; I179-V206 HydrophobicContact CB-CG2 4.41Å; I179-V206 HydrophobicContact CG1-CG2 4.08Å; L180-V206 PolarHBondContact N-O 2.64Å; V206-V218 HydrophobicContact CG1-CB 4.42Å; V206-L220 HydrophobicContact CB-CB 4.18Å; V206-L220 HydrophobicContact CG2-CB 4.23Å; V206-L220 HydrophobicContact CG2-CD2 3.88Å; V206-L220 HydrophobicContact CG2-CG 4.44Å
207	V	93.4	Very high	85.1	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.03	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.9	-179.6	172.3	0	0	0	0	109.3	L180 E182 L185 Y217 V218 N219 L220	L180-V207 CarbonylContact O-C 3.51Å; L180-V207 VanDerWaalsContact O-CA 3.31Å; L180-V207 WeakPolarHBondContact O-CA 3.34Å; E182-V207 HydrophobicContact CB-CG1 3.92Å; L185-V207 HydrophobicContact CD1-CG1 3.8Å; L185-V207 HydrophobicContact CD1-CG2 3.9Å; L185-V207 HydrophobicContact CD2-CG2 3.99Å; L185-V207 HydrophobicContact CG-CG2 4.24Å; V207-Y217 HydrophobicContact CG2-CD2 3.91Å; V207-Y217 HydrophobicContact CG2-CG 4.06Å; V207-V218 PolarHBondContact N-O 3.31Å; V207-N219 CarbonylContact O-C 3.5Å; V207-N219 WeakPolarHBondContact O-CA 3.18Å; V207-L220 WeakPolarHBondContact O-CB 3.39Å; V207-L220 PolarHBondContact O-N 3.25Å
208	Y	94.1	Very high	85.6	Confident	6 Å²	6	73 Å²	73	2%	0.024	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.5	175.2	-172	-90.5	0	0	0	110.4	M134 E139 F143 L180 E182 L220 K221 L224	M134-Y208 HydrophobicContact CE-CD1 3.57Å; M134-Y208 HydrophobicContact CE-CG 3.9Å; E139-Y208 HydrophobicContact CB-CE1 4.06Å; E139-Y208 HydrophobicContact CG-CE1 4Å; E139-Y208 VanDerWaalsContact CG-OH 3.27Å; E139-Y208 WeakPolarHBondContact CG-OH 3.49Å; E139-Y208 WeakPolarHBondContact OE1-CE1 3.49Å; E139-Y208 PolarHBondContact OE1-OH 2.82Å; F143-Y208 HydrophobicContact CE1-CD2 4.48Å; F143-Y208 HydrophobicContact CE2-CD1 4.43Å; F143-Y208 HydrophobicContact CE2-CD2 4.42Å; F143-Y208 HydrophobicContact CE2-CG 4.31Å; F143-Y208 HydrophobicContact CZ-CD1 4.35Å; F143-Y208 AromaticContact CZ-CD2 3.58Å; F143-Y208 HydrophobicContact CZ-CD2 3.58Å; F143-Y208 AromaticContact CZ-CE2 3.87Å; F143-Y208 HydrophobicContact CZ-CE2 3.87Å; F143-Y208 AromaticContact CZ-CG 3.84Å; F143-Y208 HydrophobicContact CZ-CG 3.84Å; L180-Y208 PolarHBondContact O-N 2.84Å; E182-Y208 PolarHBondContact N-O 2.85Å; Y208-L220 HydrophobicContact CD2-CB 4.18Å; Y208-L220 HydrophobicContact CD2-CD2 4.14Å; Y208-L220 HydrophobicContact CD2-CG 4.17Å; Y208-K221 HydrophobicContact CD2-CB 4.03Å; Y208-K221 HydrophobicContact CE2-CB 3.84Å; Y208-K221 HydrophobicContact CE2-CD 4.44Å; Y208-K221 HydrophobicContact CE2-CG 3.97Å; Y208-L224 HydrophobicContact CE2-CD1 4.25Å
209	G	91.3	Very high	86.2	Confident	2 Å²	2	71.7 Å²	71.7	2%	0.021	38%	0.376	C	S	.	.	S	Bend	trans	-178.4	173.9	-174.2	0	0	0	0	0	113.4	E182 K221	E182-G209 VanDerWaalsContact OE2-C 3.24Å; E182-G209 WeakPolarHBondContact OE2-CA 3.33Å; G209-K221 WeakPolarHBondContact O-CB 3.33Å; G209-K221 VanDerWaalsContact O-CD 3.27Å; G209-K221 WeakPolarHBondContact O-CD 3.32Å
210	D	87.5	Confident	86.8	Confident	99 Å²	99	71.1 Å²	71.1	53%	0.529	37%	0.373	S	S	.	.	S	Bend	trans	-88.8	-19.4	177.1	-70.8	-57.1	0	0	0	112	E182 E212 K221	E182-D210 PolarHBondContact OE2-N 2.98Å; D210-E212 PolarHBondContact O-N 3.34Å; D210-K221 IonicContact OD1-NZ 3.27Å; D210-K221 PolarHBondContact OD1-NZ 2.63Å; D210-K221 IonicContact OD2-NZ 3.85Å
211	D	83.2	Confident	87.5	Confident	42 Å²	42	68.6 Å²	68.6	23%	0.225	36%	0.357	C	S	.	.			trans	-73.8	111.5	177.1	-171.2	-0.3	0	0	0	111	E182 R213 N219	E182-D211 HydrophobicContact CG-CB 3.77Å; E182-D211 VanDerWaalsContact OE1-CB 3.24Å; E182-D211 WeakPolarHBondContact OE1-CB 3.4Å; E182-D211 WeakPolarHBondContact OE2-CB 3.46Å; E182-D211 PolarHBondContact OE2-N 3.38Å; D211-R213 VanDerWaalsContact C-N 3.3Å; D211-R213 VanDerWaalsContact CG-NE 3.32Å; D211-R213 WeakPolarHBondContact OD1-CB 3.31Å; D211-R213 WeakPolarHBondContact OD1-CG 3.47Å; D211-R213 PolarHBondContact OD1-N 3.19Å; D211-R213 IonicContact OD1-NE 3.08Å; D211-R213 PolarHBondContact OD1-NE 3.16Å; D211-R213 VanDerWaalsContact OD1-NE 3.08Å; D211-R213 IonicContact OD2-CZ 3.1Å; D211-R213 IonicContact OD2-NE 2.78Å; D211-R213 PolarHBondContact OD2-NE 2.91Å; D211-R213 IonicContact OD2-NH2 2.63Å; D211-R213 PolarHBondContact OD2-NH2 3.18Å; D211-N219 PolarHBondContact O-ND2 3.45Å
212	E	81.3	Confident	88.6	Confident	116 Å²	116	62.9 Å²	62.9	54%	0.542	33%	0.329	S	S	.	.			trans	-90.5	8.8	179.4	-52.7	-167.7	174.3	0	0	112.3	D210 E214 C222 R225	D210-E212 PolarHBondContact O-N 3.34Å; E212-E214 PolarHBondContact O-N 3.29Å; E212-C222 VanDerWaalsContact CD-SG 3.54Å; E212-C222 PolarHBondContact OE1-SG 2.77Å; E212-R225 IonicContact OE1-CZ 3.51Å; E212-R225 VanDerWaalsContact OE1-CZ 3.28Å; E212-R225 IonicContact OE1-NH1 2.7Å; E212-R225 PolarHBondContact OE1-NH1 3.18Å; E212-R225 IonicContact OE1-NH2 3.69Å; E212-R225 PolarHBondContact OE1-NH2 3.41Å
213	R	78.6	Confident	89.1	Confident	188 Å²	188	56.7 Å²	56.7	71%	0.709	30%	0.298	S	S	*	.			trans	-56.2	139.4	172.7	-76.2	-178.5	-66.1	176.4	1	110.6	D211 T215	D211-R213 VanDerWaalsContact C-N 3.3Å; D211-R213 VanDerWaalsContact CG-NE 3.32Å; D211-R213 WeakPolarHBondContact OD1-CB 3.31Å; D211-R213 WeakPolarHBondContact OD1-CG 3.47Å; D211-R213 PolarHBondContact OD1-N 3.19Å; D211-R213 IonicContact OD1-NE 3.08Å; D211-R213 PolarHBondContact OD1-NE 3.16Å; D211-R213 VanDerWaalsContact OD1-NE 3.08Å; D211-R213 IonicContact OD2-CZ 3.1Å; D211-R213 IonicContact OD2-NE 2.78Å; D211-R213 PolarHBondContact OD2-NE 2.91Å; D211-R213 IonicContact OD2-NH2 2.63Å; D211-R213 PolarHBondContact OD2-NH2 3.18Å; R213-T215 PolarHBondContact O-N 2.96Å
214	E	75.5	Confident	89.3	Confident	198 Å²	198	55.8 Å²	55.8	93%	0.925	29%	0.294	S	S	*	.			trans	-65.7	122.7	179.1	-159.1	170.2	-160.6	0	0	109.5	E212	E212-E214 PolarHBondContact O-N 3.29Å
215	T	80.4	Confident	89.3	Confident	61 Å²	61	58.6 Å²	58.6	37%	0.374	30%	0.298	S	S	.	.			trans	-123.5	171.3	174.3	72.2	0	0	0	0	108.8	L185 R213 Y217	L185-T215 HydrophobicContact CD1-CG2 4.45Å; R213-T215 PolarHBondContact O-N 2.96Å; T215-Y217 PolarHBondContact O-N 3.43Å; T215-Y217 PolarHBondContact OG1-N 2.79Å; T215-Y217 PolarHBondContact OG1-O 3.23Å; T215-Y217 VanDerWaalsContact OG1-O 3.06Å
216	A	85	Confident	89.3	Confident	99 Å²	99	63.1 Å²	63.1	82%	0.818	33%	0.326	S	S	*	.	S	Bend	trans	-62.8	-6.2	172.4	0	0	0	0	0	113.6
217	Y	89.1	Confident	89.4	Confident	41 Å²	41	63.3 Å²	63.3	16%	0.161	33%	0.327	C	S	.	.	S	Bend	trans	-119.2	147.9	-173.7	-51.8	-62.5	0	0	0	111.3	L185 Q191 V205 V207 T215 N219	L185-Y217 HydrophobicContact CD2-CD2 3.95Å; L185-Y217 HydrophobicContact CD2-CE2 3.98Å; Q191-Y217 PolarHBondContact OE1-OH 2.97Å; V205-Y217 HydrophobicContact CB-CD1 3.54Å; V205-Y217 HydrophobicContact CB-CE1 3.68Å; V205-Y217 HydrophobicContact CB-CG 4.37Å; V205-Y217 HydrophobicContact CG1-CD1 3.61Å; V205-Y217 HydrophobicContact CG1-CE1 3.77Å; V205-Y217 HydrophobicContact CG1-CG 3.99Å; V205-Y217 HydrophobicContact CG2-CD1 4.46Å; V205-Y217 HydrophobicContact CG2-CE1 4.12Å; V207-Y217 HydrophobicContact CG2-CD2 3.91Å; V207-Y217 HydrophobicContact CG2-CG 4.06Å; T215-Y217 PolarHBondContact O-N 3.43Å; T215-Y217 PolarHBondContact OG1-N 2.79Å; T215-Y217 PolarHBondContact OG1-O 3.23Å; T215-Y217 VanDerWaalsContact OG1-O 3.06Å; Y217-N219 PolarHBondContact O-N 3.15Å
218	V	91.9	Very high	89.4	Confident	77 Å²	77	65.9 Å²	65.9	47%	0.467	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.2	174.8	177.9	0	0	0	0	109.5	V206 V207 L220 A223	V206-V218 HydrophobicContact CG1-CB 4.42Å; V207-V218 PolarHBondContact N-O 3.31Å; V218-L220 PolarHBondContact O-N 2.98Å; V218-L220 VanDerWaalsContact O-N 3.13Å; V218-A223 HydrophobicContact CG1-CB 4.01Å
219	N	93.9	Very high	89.5	Confident	26 Å²	26	67.3 Å²	67.3	14%	0.139	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	104	167	-176	-41.3	0	0	0	109.2	V207 D211 Y217 K221 C222 A223	V207-N219 CarbonylContact O-C 3.5Å; V207-N219 WeakPolarHBondContact O-CA 3.18Å; D211-N219 PolarHBondContact O-ND2 3.45Å; Y217-N219 PolarHBondContact O-N 3.15Å; N219-K221 VanDerWaalsContact C-N 3.3Å; N219-K221 PolarHBondContact O-N 2.95Å; N219-K221 WeakPolarHBondContact OD1-CA 3.24Å; N219-K221 WeakPolarHBondContact OD1-CB 3.41Å; N219-K221 PolarHBondContact OD1-N 3.45Å; N219-C222 HydrophobicContact CB-CB 4.27Å; N219-C222 PolarHBondContact O-N 2.72Å; N219-C222 PolarHBondContact OD1-N 2.7Å; N219-A223 WeakPolarHBondContact O-CB 3.16Å; N219-A223 PolarHBondContact O-N 3.21Å
220	L	95.2	Very high	89.5	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-60.4	-38.2	-179.4	-177.5	59.4	0	0	0	111.9	Y117 F143 I179 V206 V207 Y208 V218 C222 A223 L224	Y117-L220 HydrophobicContact CD1-CD1 3.46Å; Y117-L220 VanDerWaalsContact CD1-CD1 3.46Å; Y117-L220 HydrophobicContact CE1-CD1 3.23Å; Y117-L220 HydrophobicContact CE2-CD1 4.45Å; Y117-L220 HydrophobicContact CG-CD1 4.18Å; F143-L220 HydrophobicContact CE1-CD2 3.67Å; F143-L220 HydrophobicContact CZ-CD2 4.02Å; I179-L220 HydrophobicContact CD1-CD2 4.49Å; I179-L220 HydrophobicContact CG1-CD2 4.39Å; I179-L220 HydrophobicContact CG2-CD2 4.01Å; V206-L220 HydrophobicContact CB-CB 4.18Å; V206-L220 HydrophobicContact CG2-CB 4.23Å; V206-L220 HydrophobicContact CG2-CD2 3.88Å; V206-L220 HydrophobicContact CG2-CG 4.44Å; V207-L220 WeakPolarHBondContact O-CB 3.39Å; V207-L220 PolarHBondContact O-N 3.25Å; Y208-L220 HydrophobicContact CD2-CB 4.18Å; Y208-L220 HydrophobicContact CD2-CD2 4.14Å; Y208-L220 HydrophobicContact CD2-CG 4.17Å; V218-L220 PolarHBondContact O-N 2.98Å; V218-L220 VanDerWaalsContact O-N 3.13Å; L220-C222 VanDerWaalsContact C-N 3.34Å; L220-C222 PolarHBondContact O-N 3.42Å; L220-A223 PolarHBondContact O-N 3.12Å; L220-L224 HydrophobicContact CD1-CD1 4.3Å; L220-L224 HydrophobicContact CD1-CD2 4.38Å; L220-L224 HydrophobicContact CD1-CG 4.02Å; L220-L224 HydrophobicContact CG-CD1 3.96Å; L220-L224 HydrophobicContact CG-CG 4.19Å; L220-L224 WeakPolarHBondContact O-CB 3.36Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 3.07Å
221	K	93.9	Very high	89.8	Confident	45 Å²	45	73.9 Å²	73.9	20%	0.196	38%	0.381	C	S	.	.	H	α-helix	trans	-64	-42	-178.8	-165.2	174.9	-172	176	0	111.1	Y208 G209 D210 N219	Y208-K221 HydrophobicContact CD2-CB 4.03Å; Y208-K221 HydrophobicContact CE2-CB 3.84Å; Y208-K221 HydrophobicContact CE2-CD 4.44Å; Y208-K221 HydrophobicContact CE2-CG 3.97Å; G209-K221 WeakPolarHBondContact O-CB 3.33Å; G209-K221 VanDerWaalsContact O-CD 3.27Å; G209-K221 WeakPolarHBondContact O-CD 3.32Å; D210-K221 IonicContact OD1-NZ 3.27Å; D210-K221 PolarHBondContact OD1-NZ 2.63Å; D210-K221 IonicContact OD2-NZ 3.85Å; N219-K221 VanDerWaalsContact C-N 3.3Å; N219-K221 PolarHBondContact O-N 2.95Å; N219-K221 WeakPolarHBondContact OD1-CA 3.24Å; N219-K221 WeakPolarHBondContact OD1-CB 3.41Å; N219-K221 PolarHBondContact OD1-N 3.45Å
222	C	93.4	Very high	90.1	Very high	32 Å²	32	74.1 Å²	74.1	22%	0.216	38%	0.384	C	S	.	.	H	α-helix	trans	-67.2	-46.8	173.3	-66.4	0	0	0	0	111.7	E212 N219 L220 L224 R225	E212-C222 VanDerWaalsContact CD-SG 3.54Å; E212-C222 PolarHBondContact OE1-SG 2.77Å; N219-C222 HydrophobicContact CB-CB 4.27Å; N219-C222 PolarHBondContact O-N 2.72Å; N219-C222 PolarHBondContact OD1-N 2.7Å; L220-C222 VanDerWaalsContact C-N 3.34Å; L220-C222 PolarHBondContact O-N 3.42Å; C222-L224 VanDerWaalsContact C-N 3.27Å; C222-L224 PolarHBondContact O-N 3.19Å; C222-R225 VanDerWaalsContact O-CB 3.3Å; C222-R225 WeakPolarHBondContact O-CB 3.47Å; C222-R225 PolarHBondContact O-N 2.89Å
223	A	93.9	Very high	90.3	Very high	20 Å²	20	78.8 Å²	78.8	17%	0.165	40%	0.403	C	S	.	.	H	α-helix	trans	-59.1	-39.8	-179.6	0	0	0	0	0	112.1	Y117 V218 N219 L220 R225 T226	Y117-A223 HydrophobicContact CD2-CB 4.31Å; Y117-A223 HydrophobicContact CE2-CB 3.6Å; V218-A223 HydrophobicContact CG1-CB 4.01Å; N219-A223 WeakPolarHBondContact O-CB 3.16Å; N219-A223 PolarHBondContact O-N 3.21Å; L220-A223 PolarHBondContact O-N 3.12Å; A223-R225 PolarHBondContact O-N 2.74Å; A223-T226 PolarHBondContact O-N 3.42Å; A223-T226 PolarHBondContact O-OG1 3.34Å
224	L	95.7	Very high	90.5	Very high	5 Å²	5	73.3 Å²	73.3	3%	0.026	41%	0.405	C	S	.	.	H	α-helix	trans	-59.7	-30.4	176.7	-73.7	170	0	0	0	112.4	L110 R113 I114 Y117 Y208 L220 C222 T226 V227	L110-L224 HydrophobicContact CD1-CD1 4.42Å; R113-L224 WeakPolarHBondContact CD-O 3.46Å; R113-L224 HydrophobicContact CG-CB 4.14Å; R113-L224 HydrophobicContact CG-CD2 3.99Å; R113-L224 VanDerWaalsContact CG-O 3.28Å; R113-L224 WeakPolarHBondContact CG-O 3.4Å; R113-L224 PolarHBondContact NH1-O 2.77Å; I114-L224 HydrophobicContact CG1-CD1 4Å; I114-L224 HydrophobicContact CG1-CD2 3.98Å; Y117-L224 HydrophobicContact CG-CD2 4.14Å; Y208-L224 HydrophobicContact CE2-CD1 4.25Å; L220-L224 HydrophobicContact CD1-CD1 4.3Å; L220-L224 HydrophobicContact CD1-CD2 4.38Å; L220-L224 HydrophobicContact CD1-CG 4.02Å; L220-L224 HydrophobicContact CG-CD1 3.96Å; L220-L224 HydrophobicContact CG-CG 4.19Å; L220-L224 WeakPolarHBondContact O-CB 3.36Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 3.07Å; C222-L224 VanDerWaalsContact C-N 3.27Å; C222-L224 PolarHBondContact O-N 3.19Å; L224-T226 PolarHBondContact O-N 3.34Å; L224-T226 VanDerWaalsContact O-N 3.14Å; L224-V227 PolarHBondContact O-N 3.36Å; L224-V227 VanDerWaalsContact O-N 3.08Å
225	R	93.5	Very high	90.9	Very high	143 Å²	143	66.4 Å²	66.4	54%	0.54	37%	0.371	S	S	.	.	H	α-helix	trans	-57.5	-30.6	179.6	-63.7	-179.1	-176.2	151.1	4.8	112.8	R113 E212 C222 A223	R113-R225 VanDerWaalsContact NH1-CA 3.26Å; R113-R225 PolarHBondContact NH1-O 3.41Å; E212-R225 IonicContact OE1-CZ 3.51Å; E212-R225 VanDerWaalsContact OE1-CZ 3.28Å; E212-R225 IonicContact OE1-NH1 2.7Å; E212-R225 PolarHBondContact OE1-NH1 3.18Å; E212-R225 IonicContact OE1-NH2 3.69Å; E212-R225 PolarHBondContact OE1-NH2 3.41Å; C222-R225 VanDerWaalsContact O-CB 3.3Å; C222-R225 WeakPolarHBondContact O-CB 3.47Å; C222-R225 PolarHBondContact O-N 2.89Å; A223-R225 PolarHBondContact O-N 2.74Å
226	T	91.4	Very high	91	Very high	116 Å²	116	73.8 Å²	73.8	71%	0.712	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.2	-177.9	67.6	0	0	0	0	114.5	A223 L224	A223-T226 PolarHBondContact O-N 3.42Å; A223-T226 PolarHBondContact O-OG1 3.34Å; L224-T226 PolarHBondContact O-N 3.34Å; L224-T226 VanDerWaalsContact O-N 3.14Å
227	V	94.6	Very high	90.8	Very high	7 Å²	7	73.3 Å²	73.3	4%	0.042	37%	0.369	C	S	.	.	S	Bend	trans	-101.2	143.4	-176.9	-177.8	0	0	0	0	110.3	R113 N116 Y117 L224	R113-V227 HydrophobicContact CG-CB 4.11Å; R113-V227 HydrophobicContact CG-CG1 4.46Å; R113-V227 PolarHBondContact NH1-O 3.17Å; R113-V227 VanDerWaalsContact NH1-O 3.1Å; N116-V227 HydrophobicContact CB-CG1 3.45Å; N116-V227 VanDerWaalsContact CB-CG1 3.45Å; Y117-V227 HydrophobicContact CD2-CG2 3.95Å; L224-V227 PolarHBondContact O-N 3.36Å; L224-V227 VanDerWaalsContact O-N 3.08Å
228	S	94.9	Very high	90.3	Very high	60 Å²	60	75.3 Å²	75.3	42%	0.42	38%	0.381	S	S	.	.			trans	-61.8	139.6	175.9	-179.3	0	0	0	0	111.5	R113 N116 E230	R113-S228 WeakPolarHBondContact CA-O 3.47Å; N116-S228 PolarHBondContact ND2-O 2.93Å; S228-E230 PolarHBondContact OG-N 2.98Å; S228-E230 VanDerWaalsContact OG-N 3.14Å
229	D	94.8	Very high	89.9	Confident	36 Å²	36	71.9 Å²	71.9	19%	0.193	36%	0.361	C	S	.	.			trans	-92.9	3.4	171.6	66.6	-23.5	0	0	0	113.2	R109 W112 R113	R109-D229 HydrophobicContact CB-CB 3.99Å; R109-D229 WeakPolarHBondContact CD-OD2 3.47Å; R109-D229 HydrophobicContact CG-CB 4.49Å; R109-D229 IonicContact NH1-OD2 2.77Å; R109-D229 PolarHBondContact NH1-OD2 2.92Å; W112-D229 WeakPolarHBondContact CB-O 3.26Å; R113-D229 HydrophobicContact CB-CB 4.35Å
230	E	92.8	Very high	89.6	Confident	137 Å²	137	70.9 Å²	70.9	64%	0.64	36%	0.357	S	S	*	.	S	Bend	trans	-86.9	152.6	177	-62.5	-169.7	164.7	0	0	112.4	N116 S228 P232	N116-E230 PolarHBondContact ND2-O 3.43Å; S228-E230 PolarHBondContact OG-N 2.98Å; S228-E230 VanDerWaalsContact OG-N 3.14Å; E230-P232 WeakPolarHBondContact O-CD 3.48Å
231	Q	92.1	Very high	89.3	Confident	102 Å²	102	71 Å²	71	48%	0.477	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-63.5	126	167.4	177.1	176.2	-33.3	0	0	109.7	W112 K233 Y235	W112-Q231 HydrophobicContact CD2-CB 4.08Å; W112-Q231 HydrophobicContact CE3-CB 4.3Å; W112-Q231 HydrophobicContact CH2-CB 3.97Å; W112-Q231 HydrophobicContact CH2-CG 3.52Å; W112-Q231 HydrophobicContact CZ2-CB 3.68Å; W112-Q231 HydrophobicContact CZ2-CG 3.62Å; W112-Q231 HydrophobicContact CZ3-CB 4.26Å; W112-Q231 HydrophobicContact CZ3-CG 3.99Å; Q231-K233 PolarHBondContact O-N 2.9Å; Q231-Y235 HydrophobicContact CG-CD1 4.13Å; Q231-Y235 HydrophobicContact CG-CG 4.12Å
232	P	89.2	Confident	89.2	Confident	46 Å²	46	76.4 Å²	76.4	30%	0.299	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-57.3	139.6	178.5	-26.7	34.7	0	0	0	112.8	N116 E230 G234 Y235	N116-P232 WeakPolarHBondContact OD1-CD 3.21Å; N116-P232 WeakPolarHBondContact OD1-CG 3.24Å; E230-P232 WeakPolarHBondContact O-CD 3.48Å; P232-G234 PolarHBondContact O-N 3.31Å; P232-Y235 VanDerWaalsContact O-CB 3.25Å; P232-Y235 WeakPolarHBondContact O-CB 3.32Å; P232-Y235 PolarHBondContact O-N 2.96Å
233	K	85.8	Confident	89.2	Confident	215 Å²	215	76.6 Å²	76.6	94%	0.935	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	127.3	172.4	-70.1	-175.7	-179.3	177.4	0	109.4	Q231 Y235	Q231-K233 PolarHBondContact O-N 2.9Å; K233-Y235 VanDerWaalsContact C-N 3.34Å
234	G	82.9	Confident	89.3	Confident	73 Å²	73	77.5 Å²	77.5	75%	0.753	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	10.6	-177.6	0	0	0	0	0	115	P232 R236	P232-G234 PolarHBondContact O-N 3.31Å; G234-R236 PolarHBondContact O-N 2.88Å; G234-R236 VanDerWaalsContact O-N 3.08Å
235	Y	84.1	Confident	89.3	Confident	53 Å²	53	77.2 Å²	77.2	21%	0.208	38%	0.384	C	S	.	.			trans	-50.1	118.3	171.6	170.3	-100.8	0	0	0	110.8	W112 R149 Q231 P232 K233 R237	W112-Y235 AromaticContact CH2-CD1 3.84Å; W112-Y235 HydrophobicContact CH2-CD1 3.84Å; W112-Y235 HydrophobicContact CH2-CD2 4.14Å; W112-Y235 AromaticContact CH2-CE1 3.68Å; W112-Y235 HydrophobicContact CH2-CE1 3.68Å; W112-Y235 HydrophobicContact CH2-CE2 4.02Å; W112-Y235 HydrophobicContact CH2-CG 4.05Å; W112-Y235 AromaticContact CH2-CZ 3.77Å; W112-Y235 HydrophobicContact CZ3-CD2 4.08Å; W112-Y235 HydrophobicContact CZ3-CE1 4.5Å; W112-Y235 HydrophobicContact CZ3-CE2 4.05Å; W112-Y235 HydrophobicContact CZ3-CG 4.33Å; R149-Y235 VanDerWaalsContact O-CE2 3.3Å; R149-Y235 WeakPolarHBondContact O-CE2 3.3Å; R149-Y235 PolarHBondContact O-OH 3.36Å; Q231-Y235 HydrophobicContact CG-CD1 4.13Å; Q231-Y235 HydrophobicContact CG-CG 4.12Å; P232-Y235 VanDerWaalsContact O-CB 3.25Å; P232-Y235 WeakPolarHBondContact O-CB 3.32Å; P232-Y235 PolarHBondContact O-N 2.96Å; K233-Y235 VanDerWaalsContact C-N 3.34Å; Y235-R237 HydrophobicContact CE1-CB 4.32Å
236	R	83.2	Confident	89.5	Confident	216 Å²	216	70.4 Å²	70.4	82%	0.815	36%	0.359	S	S	*	.			trans	-105.6	127.7	169.2	-69.8	-171.6	-180	-168.9	0.8	108.1	G234 I238	G234-R236 PolarHBondContact O-N 2.88Å; G234-R236 VanDerWaalsContact O-N 3.08Å; R236-I238 WeakPolarHBondContact O-CG1 3.22Å; R236-I238 PolarHBondContact O-N 3.48Å
237	R	81.2	Confident	89.7	Confident	89 Å²	89	65.7 Å²	65.7	34%	0.336	33%	0.328	S	S	.	.			trans	-66.2	133.2	173.9	-170.6	177.2	-54.3	152.2	13.4	109.8	L78 Y235 A239	L78-R237 VanDerWaalsContact CB-CZ 3.47Å; L78-R237 VanDerWaalsContact CB-NH1 3.33Å; Y235-R237 HydrophobicContact CE1-CB 4.32Å; R237-A239 VanDerWaalsContact CD-O 3.23Å; R237-A239 WeakPolarHBondContact CD-O 3.31Å; R237-A239 VanDerWaalsContact CG-O 3.26Å; R237-A239 WeakPolarHBondContact CG-O 3.25Å
238	I	78	Confident	89.6	Confident	82 Å²	82	65.4 Å²	65.4	42%	0.421	33%	0.326	S	S	.	.			trans	-106.4	-52.6	-177.3	-35.9	179.7	0	0	0	110	E126 R236	E126-I238 HydrophobicContact CB-CG2 4.21Å; E126-I238 HydrophobicContact CG-CB 4.38Å; E126-I238 HydrophobicContact CG-CG2 3.89Å; E126-I238 WeakPolarHBondContact OE1-CG2 3.38Å; E126-I238 WeakPolarHBondContact OE2-CG2 3.35Å; R236-I238 WeakPolarHBondContact O-CG1 3.22Å; R236-I238 PolarHBondContact O-N 3.48Å
239	A	82.7	Confident	89.3	Confident	5 Å²	5	63.9 Å²	63.9	4%	0.041	31%	0.311	C	S	.	.			trans	-76.3	135.9	176.4	0	0	0	0	0	112.7	R237	R237-A239 VanDerWaalsContact CD-O 3.23Å; R237-A239 WeakPolarHBondContact CD-O 3.31Å; R237-A239 VanDerWaalsContact CG-O 3.26Å; R237-A239 WeakPolarHBondContact CG-O 3.25Å
240	G	87.9	Confident	88.5	Confident	5 Å²	5	62.9 Å²	62.9	5%	0.052	31%	0.307	C	S	.	.			trans	-118.2	-169.9	179.1	0	0	0	0	0	112.9	N73 K242 S243 H264	N73-G240 WeakPolarHBondContact OD1-CA 3.43Å; G240-K242 PolarHBondContact O-N 2.98Å; G240-K242 VanDerWaalsContact O-N 3.13Å; G240-S243 PolarHBondContact N-OG 3.48Å; G240-S243 WeakPolarHBondContact O-CB 3.15Å; G240-S243 PolarHBondContact O-N 3.22Å; G240-H264 PolarHBondContact O-CD2 3.48Å; G240-H264 VanDerWaalsContact O-CD2 3.24Å
241	H	90.1	Very high	87.4	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.019	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-38.6	-177.8	-171.3	72.5	0	0	0	113.4	N73 Y74 A265 M268	N73-H241 PolarHBondContact OD1-N 2.79Å; Y74-H241 VanDerWaalsContact O-CA 3.27Å; Y74-H241 WeakPolarHBondContact O-CA 3.44Å; Y74-H241 WeakPolarHBondContact O-CB 3.21Å; Y74-H241 PolarHBondContact O-ND1 3.28Å; H241-A265 VanDerWaalsContact CD2-CB 3.48Å; H241-A265 WeakPolarHBondContact CD2-CB 3.14Å; H241-A265 VanDerWaalsContact CE1-CB 3.46Å; H241-A265 WeakPolarHBondContact CE1-CB 3.35Å; H241-A265 WeakPolarHBondContact NE2-CB 3.39Å; H241-A265 VanDerWaalsContact O-CB 3.22Å; H241-A265 WeakPolarHBondContact O-CB 3.05Å; H241-A265 PolarHBondContact O-N 3.07Å; H241-M268 VanDerWaalsContact ND1-CE 3.3Å; H241-M268 WeakPolarHBondContact ND1-CE 3.33Å
242	K	91	Very high	85.9	Confident	158 Å²	158	56.1 Å²	56.1	69%	0.687	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.2	-177.6	-64.1	-178.4	-179.9	176.6	0	114.1	G240 T263	G240-K242 PolarHBondContact O-N 2.98Å; G240-K242 VanDerWaalsContact O-N 3.13Å; K242-T263 VanDerWaalsContact O-CG2 3.32Å; K242-T263 WeakPolarHBondContact O-CG2 3.3Å
243	S	93.5	Very high	84.2	Confident	36 Å²	36	59.7 Å²	59.7	25%	0.252	31%	0.309	S	S	.	.	S	Bend	trans	-67	148.2	-179.9	-58.6	0	0	0	0	110.7	G240 L245 T263 H264	G240-S243 PolarHBondContact N-OG 3.48Å; G240-S243 WeakPolarHBondContact O-CB 3.15Å; G240-S243 PolarHBondContact O-N 3.22Å; S243-L245 PolarHBondContact O-N 3.44Å; S243-T263 WeakPolarHBondContact O-CA 3.25Å; S243-T263 VanDerWaalsContact O-CB 3.3Å; S243-T263 WeakPolarHBondContact O-CB 3.27Å; S243-H264 PolarHBondContact O-CD2 2.81Å; S243-H264 PolarHBondContact O-N 2.8Å; S243-H264 VanDerWaalsContact O-N 3.09Å
244	V	95.1	Very high	82.9	Confident	39 Å²	39	54.2 Å²	54.2	24%	0.236	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.8	174.5	179.6	0	0	0	0	108.4	I153 Y247 K261	I153-V244 HydrophobicContact CD1-CB 3.98Å; I153-V244 HydrophobicContact CD1-CG1 4.01Å; I153-V244 HydrophobicContact CG1-CB 4.2Å; I153-V244 HydrophobicContact CG1-CG1 4.13Å; I153-V244 HydrophobicContact CG2-CG1 3.86Å; V244-Y247 HydrophobicContact CG1-CD1 4.11Å; V244-Y247 HydrophobicContact CG1-CE1 3.65Å; V244-K261 HydrophobicContact CG2-CB 4.5Å
245	L	96.7	Very high	82	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-46.3	177.4	168	64.5	0	0	0	110.9	V76 L144 A148 L154 S243 I262 Y267	V76-L245 HydrophobicContact CB-CD2 4.34Å; V76-L245 HydrophobicContact CG2-CD2 3.76Å; L144-L245 HydrophobicContact CD1-CD1 3.89Å; L144-L245 HydrophobicContact CD1-CD2 4.25Å; L144-L245 HydrophobicContact CD1-CG 3.93Å; L144-L245 HydrophobicContact CD2-CD2 4.48Å; L144-L245 HydrophobicContact CG-CD1 4.19Å; A148-L245 HydrophobicContact CB-CD1 3.71Å; L154-L245 PolarHBondContact N-O 3.01Å; L154-L245 VanDerWaalsContact N-O 3.07Å; S243-L245 PolarHBondContact O-N 3.44Å; L245-I262 PolarHBondContact N-O 3.19Å; L245-Y267 HydrophobicContact CD2-CD1 4.34Å; L245-Y267 HydrophobicContact CD2-CD2 3.64Å; L245-Y267 HydrophobicContact CD2-CE2 4.35Å; L245-Y267 HydrophobicContact CD2-CG 3.65Å
246	T	97.4	Very high	81.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	150.4	-171	-177.9	0	0	0	0	112.2	L144 L154 Q156 I262	L144-T246 HydrophobicContact CD1-CG2 4.49Å; L154-T246 CarbonylContact O-C 3.49Å; L154-T246 WeakPolarHBondContact O-CA 3.23Å; L154-T246 VanDerWaalsContact O-CB 3.25Å; L154-T246 WeakPolarHBondContact O-CB 3.25Å; L154-T246 PolarHBondContact O-OG1 3.22Å; Q156-T246 PolarHBondContact NE2-OG1 3.26Å; Q156-T246 VanDerWaalsContact NE2-OG1 3.12Å; T246-I262 HydrophobicContact CG2-CB 3.77Å; T246-I262 HydrophobicContact CG2-CG1 4.33Å; T246-I262 HydrophobicContact CG2-CG2 4.17Å; T246-I262 PolarHBondContact N-O 3.33Å; T246-I262 VanDerWaalsContact N-O 3.14Å; T246-I262 PolarHBondContact O-N 2.95Å
247	Y	96.6	Very high	81	Confident	16 Å²	16	44.5 Å²	44.5	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.8	165.5	-59.7	-38.3	0	0	0	110.2	V129 I153 L154 A155 Q156 A173 V244 P259 A260 K261 L472	V129-Y247 HydrophobicContact CG1-CD2 4.29Å; V129-Y247 HydrophobicContact CG1-CE2 4.23Å; V129-Y247 HydrophobicContact CG2-CE2 3.84Å; I153-Y247 WeakPolarHBondContact CD1-OH 3.36Å; I153-Y247 HydrophobicContact CG2-CD1 4.12Å; I153-Y247 HydrophobicContact CG2-CD2 3.84Å; I153-Y247 HydrophobicContact CG2-CE1 3.99Å; I153-Y247 HydrophobicContact CG2-CE2 3.72Å; I153-Y247 HydrophobicContact CG2-CG 4.04Å; L154-Y247 PolarHBondContact O-N 2.8Å; A155-Y247 HydrophobicContact CB-CD2 4.14Å; Q156-Y247 PolarHBondContact N-O 3.38Å; A173-Y247 HydrophobicContact CB-CD2 3.88Å; A173-Y247 HydrophobicContact CB-CE2 4.24Å; V244-Y247 HydrophobicContact CG1-CD1 4.11Å; V244-Y247 HydrophobicContact CG1-CE1 3.65Å; Y247-P259 HydrophobicContact CG-CB 4.12Å; Y247-A260 WeakPolarHBondContact CA-O 3.45Å; Y247-K261 HydrophobicContact CD1-CG 4.23Å; Y247-K261 HydrophobicContact CE1-CB 4.49Å; Y247-K261 HydrophobicContact CE1-CG 3.87Å; Y247-L472 HydrophobicContact CE1-CD1 4.4Å
248	I	92.7	Very high	81.1	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127	171.8	-63.8	-178.2	0	0	0	107.7	A260 I262 T295 I299 T391	I248-A260 PolarHBondContact N-O 3.06Å; I248-A260 VanDerWaalsContact N-O 3.14Å; I248-A260 WeakPolarHBondContact O-CB 3.3Å; I248-A260 PolarHBondContact O-N 3.19Å; I248-I262 HydrophobicContact CD1-CG1 4.14Å; I248-I262 HydrophobicContact CG1-CG1 4.27Å; I248-T295 WeakPolarHBondContact CD1-OG1 3.27Å; I248-I299 HydrophobicContact CD1-CD1 3.67Å; I248-I299 HydrophobicContact CD1-CG1 4.17Å; I248-T391 HydrophobicContact CB-CG2 3.81Å; I248-T391 HydrophobicContact CG2-CG2 3.72Å
249	Y	87.3	Confident	81.7	Confident	28 Å²	28	37.8 Å²	37.8	11%	0.11	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.5	-176.2	-64.6	-101	0	0	0	111	A155 Q156 L157 C169 A173 P257 K258 P259	A155-Y249 HydrophobicContact CB-CE2 4.29Å; Q156-Y249 VanDerWaalsContact O-CD2 3.26Å; Q156-Y249 WeakPolarHBondContact O-CD2 3.35Å; L157-Y249 HydrophobicContact CD2-CD2 4.12Å; L157-Y249 HydrophobicContact CD2-CE1 4.5Å; L157-Y249 HydrophobicContact CD2-CE2 3.45Å; L157-Y249 VanDerWaalsContact CD2-CE2 3.45Å; L157-Y249 HydrophobicContact CG-CE2 4.5Å; C169-Y249 HydrophobicContact CB-CD1 3.95Å; C169-Y249 HydrophobicContact CB-CE1 3.45Å; C169-Y249 VanDerWaalsContact CB-CE1 3.45Å; C169-Y249 HydrophobicContact CB-CE2 4.49Å; C169-Y249 WeakPolarHBondContact O-CE1 3.35Å; C169-Y249 PolarHBondContact O-OH 2.75Å; C169-Y249 VanDerWaalsContact SG-CD1 3.6Å; A173-Y249 WeakPolarHBondContact CB-OH 3.37Å; Y249-P257 HydrophobicContact CD1-CB 4.17Å; Y249-P257 HydrophobicContact CG-CB 4.46Å; Y249-K258 WeakPolarHBondContact CA-O 3.38Å; Y249-P259 HydrophobicContact CD1-CB 4.18Å; Y249-P259 HydrophobicContact CE1-CB 3.91Å; Y249-P259 HydrophobicContact CE1-CG 4.32Å
250	T	79.5	Confident	82.1	Confident	16 Å²	16	37.6 Å²	37.6	10%	0.098	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.9	173.9	64.4	0	0	0	0	110.8	G252 P257 K258 A260 T391 Y471	T250-G252 PolarHBondContact O-N 2.72Å; T250-P257 CarbonylContact O-C 3.53Å; T250-P257 WeakPolarHBondContact O-CA 3.41Å; T250-K258 PolarHBondContact N-O 2.78Å; T250-K258 PolarHBondContact O-N 2.86Å; T250-A260 HydrophobicContact CG2-CB 4.27Å; T250-T391 HydrophobicContact CG2-CG2 4.02Å; T250-Y471 WeakPolarHBondContact OG1-CE1 3.43Å
251	S	69.6	Low	82.4	Confident	84 Å²	84	40.2 Å²	40.2	59%	0.587	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	120.9	173.3	43.4	0	0	0	0	110.9
252	G	58.9	Low	82.6	Confident	13 Å²	13	40 Å²	40	13%	0.134	24%	0.238	C	C	.	.			trans	-84.7	155.1	176.5	0	0	0	0	0	112.8	T250 T254 G255 M256	T250-G252 PolarHBondContact O-N 2.72Å; G252-T254 PolarHBondContact O-N 2.77Å; G252-T254 VanDerWaalsContact O-N 3.13Å; G252-G255 PolarHBondContact O-N 3.42Å; G252-M256 WeakPolarHBondContact CA-O 3.43Å; G252-M256 PolarHBondContact N-O 2.67Å
253	T	53.7	Low	82.8	Confident	121 Å²	121	33.4 Å²	33.4	74%	0.742	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.2	172.5	55.4	0	0	0	0	113.8	G255	T253-G255 VanDerWaalsContact C-N 3.33Å
254	T	59.3	Low	82.9	Confident	100 Å²	100	31.7 Å²	31.7	61%	0.613	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	9.3	177.5	52.3	0	0	0	0	112.5	G252 M256	G252-T254 PolarHBondContact O-N 2.77Å; G252-T254 VanDerWaalsContact O-N 3.13Å; T254-M256 PolarHBondContact O-N 2.83Å
255	G	63.6	Low	82.7	Confident	62 Å²	62	30 Å²	30	64%	0.639	19%	0.189	S	C	*	.	S	Bend	trans	84.7	-33.8	-175.9	0	0	0	0	0	114.1	G252 T253	G252-G255 PolarHBondContact O-N 3.42Å; T253-G255 VanDerWaalsContact C-N 3.33Å
256	M	70.7	Confident	82.5	Confident	56 Å²	56	30.2 Å²	30.2	28%	0.276	19%	0.189	S	C	.	.	S	Bend	trans	-77.5	139.9	-177.3	-61.3	-60.6	-96	0	0	112.7	D164 H168 G252 T254	D164-M256 HydrophobicContact CB-CE 4.46Å; H168-M256 HydrophobicContact CB-CE 3.46Å; H168-M256 VanDerWaalsContact CB-CE 3.46Å; G252-M256 WeakPolarHBondContact CA-O 3.43Å; G252-M256 PolarHBondContact N-O 2.67Å; T254-M256 PolarHBondContact O-N 2.83Å
257	P	76.7	Confident	82.4	Confident	19 Å²	19	30.2 Å²	30.2	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.8	-179	-17.3	30.5	0	0	0	113.2	H168 Y249 T250	H168-P257 PolarHBondContact CD2-O 3.5Å; H168-P257 VanDerWaalsContact CD2-O 3.31Å; H168-P257 PolarHBondContact NE2-O 2.95Å; Y249-P257 HydrophobicContact CD1-CB 4.17Å; Y249-P257 HydrophobicContact CG-CB 4.46Å; T250-P257 CarbonylContact O-C 3.53Å; T250-P257 WeakPolarHBondContact O-CA 3.41Å
258	K	82.5	Confident	82.3	Confident	21 Å²	21	29.4 Å²	29.4	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.4	-177	-62.1	170.2	-179.2	178	0	111	Y249 T250 A260 Y471 D476	Y249-K258 WeakPolarHBondContact CA-O 3.38Å; T250-K258 PolarHBondContact N-O 2.78Å; T250-K258 PolarHBondContact O-N 2.86Å; K258-A260 PolarHBondContact O-N 3.44Å; K258-Y471 HydrophobicContact CB-CD1 4.12Å; K258-Y471 HydrophobicContact CB-CE1 4.41Å; K258-D476 HydrophobicContact CD-CB 4.16Å; K258-D476 VanDerWaalsContact CE-OD1 3.24Å; K258-D476 WeakPolarHBondContact CE-OD1 3.28Å; K258-D476 IonicContact NZ-OD1 3.12Å; K258-D476 PolarHBondContact NZ-OD1 3.48Å; K258-D476 IonicContact NZ-OD2 2.67Å
259	P	90.6	Very high	82.2	Confident	9 Å²	9	29.5 Å²	29.5	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	110.2	179.1	28.5	-32.9	0	0	0	111	Y247 Y249 Y471 L472	Y247-P259 HydrophobicContact CG-CB 4.12Å; Y249-P259 HydrophobicContact CD1-CB 4.18Å; Y249-P259 HydrophobicContact CE1-CB 3.91Å; Y249-P259 HydrophobicContact CE1-CG 4.32Å; P259-Y471 WeakPolarHBondContact O-CA 3.25Å; P259-L472 HydrophobicContact CG-CB 3.79Å; P259-L472 HydrophobicContact CG-CD2 4.22Å; P259-L472 PolarHBondContact O-N 2.97Å; P259-L472 VanDerWaalsContact O-N 3.11Å
260	A	91.7	Very high	82.5	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.7	168.3	0	0	0	0	0	109.8	Y247 I248 T250 K258 T391 E392 Y471	Y247-A260 WeakPolarHBondContact CA-O 3.45Å; I248-A260 PolarHBondContact N-O 3.06Å; I248-A260 VanDerWaalsContact N-O 3.14Å; I248-A260 WeakPolarHBondContact O-CB 3.3Å; I248-A260 PolarHBondContact O-N 3.19Å; T250-A260 HydrophobicContact CG2-CB 4.27Å; K258-A260 PolarHBondContact O-N 3.44Å; A260-T391 HydrophobicContact CB-CG2 3.83Å; A260-E392 HydrophobicContact CB-CB 4.35Å; A260-Y471 HydrophobicContact CB-CD1 3.98Å; A260-Y471 HydrophobicContact CB-CE1 3.92Å
261	K	94.3	Very high	83.2	Confident	61 Å²	61	27.4 Å²	27.4	27%	0.265	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.4	-177.9	-57.3	-177.4	-62.5	-158.3	0	110.1	V244 Y247 C469 G470 Y471 L472	V244-K261 HydrophobicContact CG2-CB 4.5Å; Y247-K261 HydrophobicContact CD1-CG 4.23Å; Y247-K261 HydrophobicContact CE1-CB 4.49Å; Y247-K261 HydrophobicContact CE1-CG 3.87Å; K261-C469 HydrophobicContact CB-CB 4.38Å; K261-C469 WeakPolarHBondContact CE-O 3.2Å; K261-C469 PolarHBondContact NZ-O 3.11Å; K261-C469 WeakPolarHBondContact O-CB 3.4Å; K261-G470 PolarHBondContact N-O 2.89Å; K261-G470 VanDerWaalsContact N-O 3.08Å; K261-Y471 VanDerWaalsContact CE-O 3.23Å; K261-Y471 WeakPolarHBondContact CE-O 3.13Å; K261-Y471 PolarHBondContact NZ-O 2.89Å; K261-Y471 VanDerWaalsContact NZ-O 3.14Å; K261-L472 HydrophobicContact CD-CD1 4.45Å
262	I	94.4	Very high	84.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.9	173.2	-52	-60.9	0	0	0	108.8	L245 T246 I248 R266 M270 I299 T391	L245-I262 PolarHBondContact N-O 3.19Å; T246-I262 HydrophobicContact CG2-CB 3.77Å; T246-I262 HydrophobicContact CG2-CG1 4.33Å; T246-I262 HydrophobicContact CG2-CG2 4.17Å; T246-I262 PolarHBondContact N-O 3.33Å; T246-I262 VanDerWaalsContact N-O 3.14Å; T246-I262 PolarHBondContact O-N 2.95Å; I248-I262 HydrophobicContact CD1-CG1 4.14Å; I248-I262 HydrophobicContact CG1-CG1 4.27Å; I262-R266 HydrophobicContact CG2-CB 4.34Å; I262-M270 HydrophobicContact CD1-CE 4.03Å; I262-M270 HydrophobicContact CG2-CE 3.91Å; I262-I299 HydrophobicContact CG1-CD1 4.45Å; I262-I299 HydrophobicContact CG2-CD1 3.92Å; I262-T391 HydrophobicContact CD1-CG2 4.08Å
263	T	94.4	Very high	85.9	Confident	18 Å²	18	23.6 Å²	23.6	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	164	175.2	60.6	0	0	0	0	111.6	K242 S243 A265 R266 Y267	K242-T263 VanDerWaalsContact O-CG2 3.32Å; K242-T263 WeakPolarHBondContact O-CG2 3.3Å; S243-T263 WeakPolarHBondContact O-CA 3.25Å; S243-T263 VanDerWaalsContact O-CB 3.3Å; S243-T263 WeakPolarHBondContact O-CB 3.27Å; T263-A265 VanDerWaalsContact C-N 3.27Å; T263-A265 PolarHBondContact O-N 3.11Å; T263-R266 PolarHBondContact O-N 3.09Å; T263-R266 VanDerWaalsContact O-N 3.17Å; T263-R266 WeakPolarHBondContact OG1-CB 3.49Å; T263-R266 PolarHBondContact OG1-N 3.23Å; T263-Y267 PolarHBondContact O-N 3.13Å
264	H	94.7	Very high	87.8	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-55.6	-44.2	172.3	-69.4	-85.9	0	0	0	111.9	V76 G240 S243 R266 Y267 M268	V76-H264 HydrophobicContact CG2-CB 4.34Å; V76-H264 PolarHBondContact N-ND1 3.23Å; V76-H264 VanDerWaalsContact N-ND1 3.18Å; G240-H264 PolarHBondContact O-CD2 3.48Å; G240-H264 VanDerWaalsContact O-CD2 3.24Å; S243-H264 PolarHBondContact O-CD2 2.81Å; S243-H264 PolarHBondContact O-N 2.8Å; S243-H264 VanDerWaalsContact O-N 3.09Å; H264-R266 VanDerWaalsContact C-N 3.31Å; H264-R266 PolarHBondContact O-N 3Å; H264-Y267 PolarHBondContact O-N 3.48Å; H264-M268 HydrophobicContact CB-CE 4.29Å; H264-M268 WeakPolarHBondContact O-CE 3.45Å; H264-M268 WeakPolarHBondContact O-CG 3.48Å; H264-M268 PolarHBondContact O-N 2.88Å
265	A	92.7	Very high	89.5	Confident	4 Å²	4	14.4 Å²	14.4	3%	0.033	9%	0.088	C	C	.	.	H	α-helix	trans	-52.7	-50.4	175.3	0	0	0	0	0	111.8	H241 T263 M268 M269 P464	H241-A265 VanDerWaalsContact CD2-CB 3.48Å; H241-A265 WeakPolarHBondContact CD2-CB 3.14Å; H241-A265 VanDerWaalsContact CE1-CB 3.46Å; H241-A265 WeakPolarHBondContact CE1-CB 3.35Å; H241-A265 WeakPolarHBondContact NE2-CB 3.39Å; H241-A265 VanDerWaalsContact O-CB 3.22Å; H241-A265 WeakPolarHBondContact O-CB 3.05Å; H241-A265 PolarHBondContact O-N 3.07Å; T263-A265 VanDerWaalsContact C-N 3.27Å; T263-A265 PolarHBondContact O-N 3.11Å; A265-M268 PolarHBondContact O-N 3.09Å; A265-M269 WeakPolarHBondContact O-CB 3.48Å; A265-M269 PolarHBondContact O-N 3.35Å; A265-P464 HydrophobicContact CB-CB 3.98Å; A265-P464 HydrophobicContact CB-CG 3.84Å
266	R	92	Very high	90.9	Very high	3 Å²	3	14 Å²	14	1%	0.011	7%	0.071	C	C	.	.	H	α-helix	trans	-68.9	-38.7	-177	-163.2	-175	164.8	70.5	5.4	111.6	I262 T263 H264 M269 M270 T391 E392 G393	I262-R266 HydrophobicContact CG2-CB 4.34Å; T263-R266 PolarHBondContact O-N 3.09Å; T263-R266 VanDerWaalsContact O-N 3.17Å; T263-R266 WeakPolarHBondContact OG1-CB 3.49Å; T263-R266 PolarHBondContact OG1-N 3.23Å; H264-R266 VanDerWaalsContact C-N 3.31Å; H264-R266 PolarHBondContact O-N 3Å; R266-M269 HydrophobicContact CG-CE 4Å; R266-M270 HydrophobicContact CB-CE 4.49Å; R266-M270 HydrophobicContact CG-CE 3.73Å; R266-M270 WeakPolarHBondContact O-CB 3.07Å; R266-M270 WeakPolarHBondContact O-CG 3.46Å; R266-M270 PolarHBondContact O-N 3.48Å; R266-T391 PolarHBondContact NE-O 2.81Å; R266-T391 PolarHBondContact NH2-O 3.28Å; R266-E392 VanDerWaalsContact NH2-C 3.33Å; R266-E392 PolarHBondContact NH2-O 2.88Å; R266-G393 PolarHBondContact NH1-O 2.96Å; R266-G393 PolarHBondContact NH2-O 3.04Å
267	Y	94.4	Very high	92	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.8	-51.8	175	-171.7	-77.2	0	0	0	111.6	V76 L144 L245 T263 H264 M269 M270 A271 G298 I299 G303 V307	V76-Y267 HydrophobicContact CG1-CD1 4.27Å; V76-Y267 HydrophobicContact CG1-CE1 4.22Å; V76-Y267 HydrophobicContact CG2-CD1 3.61Å; V76-Y267 HydrophobicContact CG2-CE1 4.37Å; V76-Y267 HydrophobicContact CG2-CG 4.07Å; L144-Y267 HydrophobicContact CD2-CE2 3.67Å; L245-Y267 HydrophobicContact CD2-CD1 4.34Å; L245-Y267 HydrophobicContact CD2-CD2 3.64Å; L245-Y267 HydrophobicContact CD2-CE2 4.35Å; L245-Y267 HydrophobicContact CD2-CG 3.65Å; T263-Y267 PolarHBondContact O-N 3.13Å; H264-Y267 PolarHBondContact O-N 3.48Å; Y267-M269 PolarHBondContact O-N 3.18Å; Y267-M270 PolarHBondContact O-N 2.93Å; Y267-M270 VanDerWaalsContact O-N 3.11Å; Y267-A271 PolarHBondContact O-N 3.14Å; Y267-G298 PolarHBondContact OH-O 2.81Å; Y267-I299 HydrophobicContact CD1-CG2 4.47Å; Y267-I299 HydrophobicContact CD2-CB 4.3Å; Y267-I299 HydrophobicContact CD2-CD1 3.71Å; Y267-I299 HydrophobicContact CD2-CG1 3.72Å; Y267-I299 HydrophobicContact CD2-CG2 3.9Å; Y267-I299 HydrophobicContact CE2-CB 4.06Å; Y267-I299 HydrophobicContact CE2-CD1 4.08Å; Y267-I299 HydrophobicContact CE2-CG1 3.55Å; Y267-I299 HydrophobicContact CE2-CG2 3.99Å; Y267-I299 HydrophobicContact CG-CG2 4.13Å; Y267-G303 VanDerWaalsContact OH-CA 3.25Å; Y267-G303 WeakPolarHBondContact OH-CA 3.39Å; Y267-G303 PolarHBondContact OH-N 3Å; Y267-V307 HydrophobicContact CD1-CG2 3.87Å; Y267-V307 HydrophobicContact CE1-CG2 3.76Å
268	M	94.2	Very high	92.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.4	-41.9	180	-66.6	-175.7	-69.7	0	0	111.9	F65 A69 Y74 V76 L79 H241 H264 A265 M270 A271 N272 V307	F65-M268 HydrophobicContact CE1-CB 4.08Å; F65-M268 HydrophobicContact CZ-CB 4.46Å; A69-M268 HydrophobicContact CB-CE 4.37Å; Y74-M268 WeakPolarHBondContact O-CE 3.47Å; V76-M268 HydrophobicContact CG2-CG 3.65Å; V76-M268 HydrophobicContact CG2-SD 4.44Å; L79-M268 HydrophobicContact CB-SD 4.38Å; L79-M268 HydrophobicContact CD2-CG 4.34Å; L79-M268 HydrophobicContact CD2-SD 3.96Å; H241-M268 VanDerWaalsContact ND1-CE 3.3Å; H241-M268 WeakPolarHBondContact ND1-CE 3.33Å; H264-M268 HydrophobicContact CB-CE 4.29Å; H264-M268 WeakPolarHBondContact O-CE 3.45Å; H264-M268 WeakPolarHBondContact O-CG 3.48Å; H264-M268 PolarHBondContact O-N 2.88Å; A265-M268 PolarHBondContact O-N 3.09Å; M268-M270 VanDerWaalsContact C-N 3.27Å; M268-M270 PolarHBondContact O-N 2.98Å; M268-A271 PolarHBondContact O-N 2.77Å; M268-N272 WeakPolarHBondContact O-CB 3.32Å; M268-N272 PolarHBondContact O-N 2.88Å; M268-V307 HydrophobicContact CB-CG1 4.21Å; M268-V307 HydrophobicContact CG-CG1 4.4Å; M268-V307 HydrophobicContact CG-CG2 4.19Å
269	M	91.8	Very high	93.3	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-57.1	-44.3	172.1	176.4	-159.2	75.1	0	0	110.8	V62 A265 R266 Y267 G273 F397 P464 V465	V62-M269 HydrophobicContact CG1-CG 4.45Å; A265-M269 WeakPolarHBondContact O-CB 3.48Å; A265-M269 PolarHBondContact O-N 3.35Å; R266-M269 HydrophobicContact CG-CE 4Å; Y267-M269 PolarHBondContact O-N 3.18Å; M269-G273 WeakPolarHBondContact O-CA 3.48Å; M269-G273 PolarHBondContact O-N 3.23Å; M269-F397 HydrophobicContact CE-CD2 3.79Å; M269-F397 HydrophobicContact CE-CE2 3.68Å; M269-F397 HydrophobicContact CG-CD2 4.08Å; M269-F397 HydrophobicContact CG-CE2 4.23Å; M269-F397 HydrophobicContact SD-CD2 4.18Å; M269-P464 HydrophobicContact SD-CB 4.41Å; M269-V465 HydrophobicContact CG-CG2 4.28Å; M269-V465 WeakPolarHBondContact SD-CA 3.43Å; M269-V465 HydrophobicContact SD-CB 4.17Å; M269-V465 HydrophobicContact SD-CG2 3.97Å
270	M	92.4	Very high	93.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-49.3	-178.7	-85.1	-172	-83.6	0	0	113.1	I262 R266 Y267 M268 V274 T295 I299 I300 I396 F397	I262-M270 HydrophobicContact CD1-CE 4.03Å; I262-M270 HydrophobicContact CG2-CE 3.91Å; R266-M270 HydrophobicContact CB-CE 4.49Å; R266-M270 HydrophobicContact CG-CE 3.73Å; R266-M270 WeakPolarHBondContact O-CB 3.07Å; R266-M270 WeakPolarHBondContact O-CG 3.46Å; R266-M270 PolarHBondContact O-N 3.48Å; Y267-M270 PolarHBondContact O-N 2.93Å; Y267-M270 VanDerWaalsContact O-N 3.11Å; M268-M270 VanDerWaalsContact C-N 3.27Å; M268-M270 PolarHBondContact O-N 2.98Å; M270-V274 WeakPolarHBondContact O-CG2 3.41Å; M270-V274 PolarHBondContact O-N 3.5Å; M270-T295 HydrophobicContact SD-CG2 3.71Å; M270-I299 HydrophobicContact CB-CG2 3.47Å; M270-I299 VanDerWaalsContact CB-CG2 3.47Å; M270-I299 HydrophobicContact CE-CD1 3.64Å; M270-I299 HydrophobicContact CE-CG2 4.27Å; M270-I299 HydrophobicContact CG-CG2 4.43Å; M270-I299 HydrophobicContact SD-CD1 4.38Å; M270-I299 HydrophobicContact SD-CG2 4.24Å; M270-I300 HydrophobicContact CB-CD1 4.05Å; M270-I300 HydrophobicContact CG-CD1 4.43Å; M270-I396 HydrophobicContact CG-CG2 4.04Å; M270-I396 HydrophobicContact SD-CG2 4.42Å; M270-F397 VanDerWaalsContact CA-CE2 3.4Å; M270-F397 HydrophobicContact CB-CE2 4.04Å; M270-F397 HydrophobicContact CB-CZ 3.99Å; M270-F397 HydrophobicContact CG-CE2 3.59Å; M270-F397 HydrophobicContact CG-CZ 3.88Å; M270-F397 WeakPolarHBondContact O-CZ 3.43Å
271	A	94.3	Very high	93.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.6	-53.4	178.1	0	0	0	0	0	111.9	Y267 M268 G273 V274 H275 G303 Q304 V307	Y267-A271 PolarHBondContact O-N 3.14Å; M268-A271 PolarHBondContact O-N 2.77Å; A271-G273 VanDerWaalsContact C-N 3.32Å; A271-G273 PolarHBondContact O-N 2.89Å; A271-V274 PolarHBondContact O-N 2.91Å; A271-H275 PolarHBondContact O-N 2.63Å; A271-H275 VanDerWaalsContact O-N 3.12Å; A271-G303 WeakPolarHBondContact CB-O 3.26Å; A271-Q304 PolarHBondContact O-NE2 2.82Å; A271-V307 HydrophobicContact CB-CB 3.67Å; A271-V307 HydrophobicContact CB-CG1 3.99Å; A271-V307 HydrophobicContact CB-CG2 3.77Å
272	N	93.6	Very high	93.9	Very high	17 Å²	17	16.7 Å²	16.7	9%	0.091	10%	0.097	C	C	.	.	H	α-helix	trans	-68.4	-31.2	-176.7	-174.8	58.4	0	0	0	112.8	F65 M268 H275 L276 V307	F65-N272 HydrophobicContact CD1-CB 4.18Å; F65-N272 VanDerWaalsContact CD1-ND2 3.32Å; F65-N272 WeakPolarHBondContact CD1-ND2 3.35Å; F65-N272 HydrophobicContact CE1-CB 3.98Å; F65-N272 WeakPolarHBondContact CG-ND2 3.38Å; F65-N272 HydrophobicContact CZ-CB 4.31Å; M268-N272 WeakPolarHBondContact O-CB 3.32Å; M268-N272 PolarHBondContact O-N 2.88Å; N272-H275 WeakPolarHBondContact O-CB 3.45Å; N272-H275 PolarHBondContact O-N 2.82Å; N272-L276 WeakPolarHBondContact ND2-CD1 3.14Å; N272-L276 WeakPolarHBondContact O-CB 3.38Å; N272-L276 WeakPolarHBondContact O-CG 3.44Å; N272-L276 PolarHBondContact O-N 3.47Å; N272-V307 HydrophobicContact CB-CG1 4.22Å
273	G	92.4	Very high	93.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.7	-46.5	175.7	0	0	0	0	0	112.1	M269 A271 S277	M269-G273 WeakPolarHBondContact O-CA 3.48Å; M269-G273 PolarHBondContact O-N 3.23Å; A271-G273 VanDerWaalsContact C-N 3.32Å; A271-G273 PolarHBondContact O-N 2.89Å; G273-S277 VanDerWaalsContact O-CB 3.24Å; G273-S277 WeakPolarHBondContact O-CB 3.46Å; G273-S277 PolarHBondContact O-N 2.75Å; G273-S277 PolarHBondContact O-OG 3.49Å
274	V	93.2	Very high	94.1	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-46	174.3	170.9	0	0	0	0	111.1	M270 A271 L276 S277 F278 I280 I300 Y363 L387 F397	M270-V274 WeakPolarHBondContact O-CG2 3.41Å; M270-V274 PolarHBondContact O-N 3.5Å; A271-V274 PolarHBondContact O-N 2.91Å; V274-L276 VanDerWaalsContact C-N 3.33Å; V274-L276 PolarHBondContact O-N 2.98Å; V274-S277 PolarHBondContact O-N 2.82Å; V274-F278 HydrophobicContact CG1-CD2 3.64Å; V274-F278 HydrophobicContact CG1-CE2 3.87Å; V274-F278 PolarHBondContact O-N 2.68Å; V274-F278 VanDerWaalsContact O-N 3.07Å; V274-I280 HydrophobicContact CG1-CD1 3.98Å; V274-I300 HydrophobicContact CG1-CG2 4.39Å; V274-I300 HydrophobicContact CG2-CD1 3.81Å; V274-I300 HydrophobicContact CG2-CG2 3.9Å; V274-Y363 HydrophobicContact CG1-CD2 3.75Å; V274-Y363 HydrophobicContact CG1-CE2 3.61Å; V274-Y363 HydrophobicContact CG1-CG 4.49Å; V274-L387 HydrophobicContact CG2-CD2 4.35Å; V274-F397 HydrophobicContact CG2-CE1 3.71Å; V274-F397 HydrophobicContact CG2-CZ 4.21Å
275	H	95	Very high	94.3	Very high	28 Å²	28	24.4 Å²	24.4	13%	0.13	13%	0.13	C	C	.	.	H	α-helix	trans	-53.6	-50.7	179.7	-170	89.1	0	0	0	111.8	A271 N272 G279 I280 Q304 C308 N310	A271-H275 PolarHBondContact O-N 2.63Å; A271-H275 VanDerWaalsContact O-N 3.12Å; N272-H275 WeakPolarHBondContact O-CB 3.45Å; N272-H275 PolarHBondContact O-N 2.82Å; H275-G279 WeakPolarHBondContact O-CA 3.44Å; H275-G279 PolarHBondContact O-N 3.02Å; H275-G279 VanDerWaalsContact O-N 3.11Å; H275-I280 PolarHBondContact CE1-O 3.39Å; H275-I280 VanDerWaalsContact CE1-O 3.23Å; H275-I280 PolarHBondContact NE2-O 3.09Å; H275-I280 PolarHBondContact O-N 3.22Å; H275-Q304 PolarHBondContact ND1-OE1 3.24Å; H275-C308 HydrophobicContact CB-CB 4.48Å; H275-C308 WeakPolarHBondContact ND1-CB 3.49Å; H275-N310 PolarHBondContact CE1-OD1 3.36Å; H275-N310 VanDerWaalsContact CE1-OD1 3.29Å; H275-N310 PolarHBondContact ND1-OD1 2.54Å
276	L	93.8	Very high	94.5	Very high	52 Å²	52	24.2 Å²	24.2	27%	0.272	13%	0.128	S	C	.	.	H	α-helix	trans	-73.8	-38.1	-178.7	-67.2	175.5	0	0	0	113.4	V58 K61 V62 N272 V274	V58-L276 HydrophobicContact CG1-CB 4.39Å; K61-L276 HydrophobicContact CB-CD1 3.9Å; V62-L276 HydrophobicContact CG2-CB 4.31Å; V62-L276 HydrophobicContact CG2-CD1 3.77Å; N272-L276 WeakPolarHBondContact ND2-CD1 3.14Å; N272-L276 WeakPolarHBondContact O-CB 3.38Å; N272-L276 WeakPolarHBondContact O-CG 3.44Å; N272-L276 PolarHBondContact O-N 3.47Å; V274-L276 VanDerWaalsContact C-N 3.33Å; V274-L276 PolarHBondContact O-N 2.98Å
277	S	92.4	Very high	94.8	Very high	4 Å²	4	24 Å²	24	3%	0.028	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-44.1	-176.8	-58.1	0	0	0	0	111.8	V58 G273 V274	V58-S277 WeakPolarHBondContact CG1-OG 2.97Å; G273-S277 VanDerWaalsContact O-CB 3.24Å; G273-S277 WeakPolarHBondContact O-CB 3.46Å; G273-S277 PolarHBondContact O-N 2.75Å; G273-S277 PolarHBondContact O-OG 3.49Å; V274-S277 PolarHBondContact O-N 2.82Å
278	F	94	Very high	94.9	Very high	6 Å²	6	24 Å²	24	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-91.8	-14.9	-175.6	-55.7	-30.7	0	0	0	112.7	V274 M361 Y363 C385 L387 V400 M402	V274-F278 HydrophobicContact CG1-CD2 3.64Å; V274-F278 HydrophobicContact CG1-CE2 3.87Å; V274-F278 PolarHBondContact O-N 2.68Å; V274-F278 VanDerWaalsContact O-N 3.07Å; F278-M361 HydrophobicContact CB-CE 3.99Å; F278-M361 HydrophobicContact CB-SD 3.85Å; F278-M361 WeakPolarHBondContact O-CE 3.48Å; F278-Y363 HydrophobicContact CD2-CD2 4.13Å; F278-Y363 AromaticContact CD2-CG 3.96Å; F278-Y363 HydrophobicContact CD2-CG 3.96Å; F278-Y363 HydrophobicContact CE2-CD2 4.05Å; F278-Y363 HydrophobicContact CE2-CG 4.19Å; F278-C385 HydrophobicContact CB-CB 4.31Å; F278-C385 HydrophobicContact CD1-CB 3.43Å; F278-C385 VanDerWaalsContact CD1-CB 3.43Å; F278-C385 VanDerWaalsContact CD1-SG 3.58Å; F278-C385 HydrophobicContact CD2-CB 3.87Å; F278-C385 HydrophobicContact CE1-CB 3.56Å; F278-C385 HydrophobicContact CE2-CB 3.99Å; F278-C385 HydrophobicContact CG-CB 3.6Å; F278-C385 HydrophobicContact CZ-CB 3.84Å; F278-L387 HydrophobicContact CE2-CD2 3.9Å; F278-L387 HydrophobicContact CZ-CB 4.1Å; F278-L387 HydrophobicContact CZ-CD2 4.17Å; F278-V400 HydrophobicContact CE1-CB 4.15Å; F278-V400 HydrophobicContact CE1-CG1 4.42Å; F278-V400 HydrophobicContact CZ-CG1 4.48Å; F278-M402 HydrophobicContact CD1-CG 4.28Å; F278-M402 HydrophobicContact CE1-CG 4.37Å
279	G	93.5	Very high	94.9	Very high	38 Å²	38	24.2 Å²	24.2	39%	0.392	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	48.7	-176.2	0	0	0	0	0	110.7	H275 R360	H275-G279 WeakPolarHBondContact O-CA 3.44Å; H275-G279 PolarHBondContact O-N 3.02Å; H275-G279 VanDerWaalsContact O-N 3.11Å; G279-R360 PolarHBondContact O-NH2 3.4Å
280	I	96.4	Very high	94.8	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.036	13%	0.128	C	C	.	.			trans	-66.7	131.6	165.5	-61.3	178.9	0	0	0	106.6	V274 H275 D284 I286 Q304 M361 Y363	V274-I280 HydrophobicContact CG1-CD1 3.98Å; H275-I280 PolarHBondContact CE1-O 3.39Å; H275-I280 VanDerWaalsContact CE1-O 3.23Å; H275-I280 PolarHBondContact NE2-O 3.09Å; H275-I280 PolarHBondContact O-N 3.22Å; I280-D284 HydrophobicContact CG2-CB 4.21Å; I280-I286 HydrophobicContact CD1-CD1 4.34Å; I280-I286 HydrophobicContact CG2-CD1 4.13Å; I280-Q304 HydrophobicContact CD1-CG 4.28Å; I280-M361 HydrophobicContact CG1-SD 4.48Å; I280-Y363 HydrophobicContact CD1-CD1 4.42Å; I280-Y363 HydrophobicContact CD1-CE1 3.98Å
281	K	96.6	Very high	94.6	Very high	100 Å²	100	24.7 Å²	24.7	44%	0.435	13%	0.132	S	C	.	.			trans	-97.1	151.8	-177.7	-55.2	-176.7	-175.2	-178	0	109.8	E283 D284 N310	K281-E283 VanDerWaalsContact CB-CD 3.47Å; K281-E283 HydrophobicContact CB-CG 4.24Å; K281-E283 WeakPolarHBondContact CB-OE2 3.36Å; K281-E283 WeakPolarHBondContact CD-OE1 3.46Å; K281-E283 PolarHBondContact O-N 3Å; K281-E283 VanDerWaalsContact O-N 3.15Å; K281-D284 WeakPolarHBondContact CA-OD2 3.43Å; K281-D284 WeakPolarHBondContact CB-OD2 3.37Å; K281-D284 PolarHBondContact N-OD2 3.14Å; K281-D284 WeakPolarHBondContact O-CB 3.46Å; K281-D284 PolarHBondContact O-N 3.22Å; K281-N310 PolarHBondContact O-ND2 2.82Å
282	P	94.9	Very high	94.7	Very high	69 Å²	69	24.9 Å²	24.9	45%	0.448	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.7	179.4	-27	35.9	0	0	0	114.8	K90 D284	K90-P282 PolarHBondContact NZ-O 3.45Å; P282-D284 VanDerWaalsContact C-N 3.34Å
283	E	96.1	Very high	94.5	Very high	126 Å²	126	25.2 Å²	25.2	59%	0.589	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.7	177.9	63.7	-88.2	-157.9	0	0	114	K281	K281-E283 VanDerWaalsContact CB-CD 3.47Å; K281-E283 HydrophobicContact CB-CG 4.24Å; K281-E283 WeakPolarHBondContact CB-OE2 3.36Å; K281-E283 WeakPolarHBondContact CD-OE1 3.46Å; K281-E283 PolarHBondContact O-N 3Å; K281-E283 VanDerWaalsContact O-N 3.15Å
284	D	97.8	Very high	94.3	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	14%	0.142	C	C	.	.			trans	-67.9	139	-177.3	-72.6	-48.9	0	0	0	112.2	I280 K281 P282 N310 T333 V334 R360	I280-D284 HydrophobicContact CG2-CB 4.21Å; K281-D284 WeakPolarHBondContact CA-OD2 3.43Å; K281-D284 WeakPolarHBondContact CB-OD2 3.37Å; K281-D284 PolarHBondContact N-OD2 3.14Å; K281-D284 WeakPolarHBondContact O-CB 3.46Å; K281-D284 PolarHBondContact O-N 3.22Å; P282-D284 VanDerWaalsContact C-N 3.34Å; D284-N310 PolarHBondContact O-ND2 3Å; D284-T333 VanDerWaalsContact CA-OG1 3.28Å; D284-T333 WeakPolarHBondContact CA-OG1 3.31Å; D284-T333 WeakPolarHBondContact CB-OG1 3.4Å; D284-T333 VanDerWaalsContact CG-OG1 3.32Å; D284-T333 WeakPolarHBondContact OD1-CB 3.46Å; D284-T333 PolarHBondContact OD1-OG1 3.11Å; D284-V334 HydrophobicContact CB-CG2 3.84Å; D284-R360 IonicContact OD1-CZ 3.78Å; D284-R360 IonicContact OD1-NE 3.02Å; D284-R360 PolarHBondContact OD1-NE 3.26Å; D284-R360 IonicContact OD1-NH2 3.69Å; D284-R360 IonicContact OD2-CZ 3.46Å; D284-R360 IonicContact OD2-NE 3.49Å; D284-R360 PolarHBondContact OD2-NE 3.18Å; D284-R360 IonicContact OD2-NH2 2.64Å; D284-R360 PolarHBondContact OD2-NH2 3.4Å
285	R	98.3	Very high	94.2	Very high	50 Å²	50	27.3 Å²	27.3	19%	0.189	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.1	171	-59.8	178.9	63.9	92.6	-6.6	108.4	E94 T311 H330 C332 T333 V334	E94-R285 IonicContact OE1-CZ 3.19Å; E94-R285 IonicContact OE1-NH2 3.83Å; E94-R285 PolarHBondContact OE1-NH2 2.89Å; E94-R285 IonicContact OE2-CZ 2.67Å; E94-R285 IonicContact OE2-NH2 3.32Å; E94-R285 PolarHBondContact OE2-NH2 2.79Å; R285-T311 WeakPolarHBondContact CA-O 3.46Å; R285-H330 PolarHBondContact NE-O 3.5Å; R285-C332 WeakPolarHBondContact O-CA 3.26Å; R285-T333 PolarHBondContact N-OG1 3.19Å; R285-T333 PolarHBondContact O-N 3.32Å; R285-V334 PolarHBondContact O-N 3.3Å; R285-V334 VanDerWaalsContact O-N 3.15Å
286	I	98.3	Very high	93.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118	-167.7	-51.7	179.1	0	0	0	109.4	I280 V288 Q304 N310 T311 C312 V313 V334 Y363	I280-I286 HydrophobicContact CD1-CD1 4.34Å; I280-I286 HydrophobicContact CG2-CD1 4.13Å; I286-V288 HydrophobicContact CG2-CG2 3.93Å; I286-Q304 HydrophobicContact CD1-CB 3.39Å; I286-Q304 HydrophobicContact CD1-CG 3.55Å; I286-N310 HydrophobicContact CD1-CB 3.9Å; I286-N310 HydrophobicContact CG1-CB 4.43Å; I286-T311 PolarHBondContact N-O 3.46Å; I286-C312 CarbonylContact O-C 3.56Å; I286-C312 WeakPolarHBondContact O-CA 3.17Å; I286-V313 PolarHBondContact O-N 3.11Å; I286-V334 CarbonylContact C-O 3.52Å; I286-V334 VanDerWaalsContact CA-O 3.3Å; I286-V334 WeakPolarHBondContact CA-O 3.46Å; I286-V334 HydrophobicContact CG1-CB 4.29Å; I286-Y363 HydrophobicContact CG2-CE1 4.02Å
287	Y	98.1	Very high	93.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.6	174.9	-170.4	-123.7	0	0	0	110.8	A96 T289 V313 R315 F323 D326 C327 V334 L336	A96-Y287 HydrophobicContact CB-CE2 4.08Å; Y287-T289 HydrophobicContact CD1-CG2 4Å; Y287-T289 HydrophobicContact CE1-CG2 3.29Å; Y287-T289 HydrophobicContact CE2-CG2 4.28Å; Y287-T289 VanDerWaalsContact CZ-CG2 3.46Å; Y287-V313 HydrophobicContact CD2-CB 4.1Å; Y287-V313 HydrophobicContact CD2-CG1 3.98Å; Y287-V313 WeakPolarHBondContact CD2-O 3.14Å; Y287-V313 HydrophobicContact CE2-CG1 4.38Å; Y287-R315 HydrophobicContact CE2-CB 4.49Å; Y287-R315 WeakPolarHBondContact OH-CD 3.46Å; Y287-F323 HydrophobicContact CD1-CD2 4.05Å; Y287-F323 HydrophobicContact CD1-CE1 4.44Å; Y287-F323 AromaticContact CD1-CE2 3.74Å; Y287-F323 HydrophobicContact CD1-CE2 3.74Å; Y287-F323 AromaticContact CD1-CZ 3.96Å; Y287-F323 HydrophobicContact CD1-CZ 3.96Å; Y287-F323 AromaticContact CE1-CD2 3.51Å; Y287-F323 HydrophobicContact CE1-CD2 3.51Å; Y287-F323 AromaticContact CE1-CE2 3.67Å; Y287-F323 HydrophobicContact CE1-CE2 3.67Å; Y287-F323 AromaticContact CE1-CG 3.97Å; Y287-F323 HydrophobicContact CE1-CG 3.97Å; Y287-F323 HydrophobicContact CE1-CZ 4.26Å; Y287-D326 HydrophobicContact CE2-CB 3.7Å; Y287-D326 PolarHBondContact OH-OD2 3.44Å; Y287-C327 VanDerWaalsContact CD1-SG 3.52Å; Y287-V334 PolarHBondContact N-O 3.27Å; Y287-L336 PolarHBondContact O-N 2.82Å
288	V	96.9	Very high	94	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	111.2	-176	177.4	0	0	0	0	109.8	I286 L292 C312 V313 L314 R315 L336	I286-V288 HydrophobicContact CG2-CG2 3.93Å; V288-L292 HydrophobicContact CG1-CD2 4.5Å; V288-C312 VanDerWaalsContact CG2-SG 3.52Å; V288-V313 PolarHBondContact N-O 3.23Å; V288-L314 HydrophobicContact CB-CD2 4Å; V288-L314 HydrophobicContact CG1-CD2 4.07Å; V288-L314 WeakPolarHBondContact O-CA 3.24Å; V288-R315 PolarHBondContact O-N 3.16Å; V288-L336 HydrophobicContact CG1-CD2 4.26Å; V288-L336 HydrophobicContact CG2-CB 4.32Å
289	T	92.9	Very high	94	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	13%	0.126	C	C	.	.			trans	-106.3	-2.5	175	56.2	0	0	0	0	112.7	Y287 R315 F318 F323 I341	Y287-T289 HydrophobicContact CD1-CG2 4Å; Y287-T289 HydrophobicContact CE1-CG2 3.29Å; Y287-T289 HydrophobicContact CE2-CG2 4.28Å; Y287-T289 VanDerWaalsContact CZ-CG2 3.46Å; T289-R315 HydrophobicContact CG2-CB 4.21Å; T289-F318 HydrophobicContact CG2-CD2 4.38Å; T289-F323 HydrophobicContact CG2-CD2 4.4Å; T289-F323 HydrophobicContact CG2-CE2 4.45Å; T289-I341 WeakPolarHBondContact OG1-CD1 3.45Å
290	M	89.5	Confident	94.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.108	C	C	.	.	S	Bend	trans	-77.7	145.4	-177.2	-64.3	-69.8	82	0	0	112.1	N136 L292 L336 I338 I341	N136-M290 PolarHBondContact ND2-O 2.81Å; M290-L292 PolarHBondContact O-N 3.26Å; M290-L336 HydrophobicContact CB-CD2 4.11Å; M290-L336 HydrophobicContact CG-CD2 3.83Å; M290-L336 HydrophobicContact CG-CG 4.1Å; M290-I338 HydrophobicContact CE-CD1 3.96Å; M290-I338 HydrophobicContact CE-CG1 4.09Å; M290-I338 HydrophobicContact SD-CB 4.19Å; M290-I338 HydrophobicContact SD-CD1 3.65Å; M290-I338 HydrophobicContact SD-CG1 3.68Å; M290-I338 HydrophobicContact SD-CG2 3.58Å; M290-I338 VanDerWaalsContact SD-CG2 3.58Å; M290-I341 HydrophobicContact CE-CD1 3.15Å; M290-I341 HydrophobicContact CE-CG1 4.07Å; M290-I341 HydrophobicContact SD-CD1 4.2Å
291	P	89.7	Confident	94	Very high	11 Å²	11	21.8 Å²	21.8	7%	0.071	11%	0.106	C	C	.	.			trans	-58.2	126.9	179.4	-22.1	31.2	0	0	0	112	N136 Y293 H294 G297	N136-P291 WeakPolarHBondContact OD1-CA 3.48Å; P291-Y293 HydrophobicContact CB-CD1 3.8Å; P291-Y293 HydrophobicContact CB-CD2 4.35Å; P291-Y293 HydrophobicContact CB-CE1 3.36Å; P291-Y293 HydrophobicContact CB-CE2 3.94Å; P291-Y293 HydrophobicContact CB-CG 4.27Å; P291-Y293 VanDerWaalsContact CB-CZ 3.41Å; P291-Y293 HydrophobicContact CG-CE1 4.24Å; P291-Y293 PolarHBondContact O-N 3.03Å; P291-H294 PolarHBondContact O-N 2.79Å; P291-G297 WeakPolarHBondContact O-CA 3.35Å
292	L	94.5	Very high	94.1	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.2	-178.4	-67.5	-174.9	0	0	0	112.3	N136 C140 Q156 V288 M290 H294 G297 G298 M302 L314	N136-L292 HydrophobicContact CB-CD1 4.36Å; N136-L292 HydrophobicContact CB-CG 4.22Å; N136-L292 WeakPolarHBondContact OD1-CG 3.22Å; N136-L292 PolarHBondContact OD1-N 3.35Å; C140-L292 HydrophobicContact CB-CD1 3.72Å; Q156-L292 PolarHBondContact OE1-O 2.93Å; V288-L292 HydrophobicContact CG1-CD2 4.5Å; M290-L292 PolarHBondContact O-N 3.26Å; L292-H294 PolarHBondContact O-N 3.37Å; L292-H294 VanDerWaalsContact O-N 3.15Å; L292-G297 WeakPolarHBondContact CD2-O 3.3Å; L292-G298 WeakPolarHBondContact O-CA 3.1Å; L292-G298 PolarHBondContact O-N 3.08Å; L292-M302 HydrophobicContact CD1-SD 3.99Å; L292-M302 HydrophobicContact CD2-CB 3.98Å; L292-M302 HydrophobicContact CD2-SD 4.3Å; L292-L314 HydrophobicContact CD1-CD1 4.14Å; L292-L314 HydrophobicContact CD1-CD2 4.27Å; L292-L314 HydrophobicContact CD2-CD2 3.9Å; L292-L314 HydrophobicContact CG-CD2 4.42Å
293	Y	90.3	Very high	94.2	Very high	24 Å²	24	13.8 Å²	13.8	9%	0.094	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.8	174.5	65.9	-107.7	0	0	0	113.9	L157 N158 F159 P291 G600	L157-Y293 WeakPolarHBondContact O-CB 3.32Å; N158-Y293 HydrophobicContact CB-CD2 3.94Å; N158-Y293 HydrophobicContact CB-CE1 4.16Å; N158-Y293 HydrophobicContact CB-CE2 3.57Å; N158-Y293 HydrophobicContact CB-CG 4.44Å; N158-Y293 VanDerWaalsContact CG-CZ 3.41Å; N158-Y293 VanDerWaalsContact CG-OH 3.27Å; N158-Y293 PolarHBondContact ND2-OH 3.48Å; N158-Y293 PolarHBondContact OD1-OH 2.88Å; F159-Y293 AromaticContact CD1-CD1 3.86Å; F159-Y293 HydrophobicContact CD1-CD1 3.86Å; F159-Y293 AromaticContact CD1-CE1 3.62Å; F159-Y293 HydrophobicContact CD1-CE1 3.62Å; F159-Y293 HydrophobicContact CE1-CD1 4.02Å; F159-Y293 AromaticContact CE1-CE1 3.52Å; F159-Y293 HydrophobicContact CE1-CE1 3.52Å; F159-Y293 HydrophobicContact CZ-CE1 4.32Å; P291-Y293 HydrophobicContact CB-CD1 3.8Å; P291-Y293 HydrophobicContact CB-CD2 4.35Å; P291-Y293 HydrophobicContact CB-CE1 3.36Å; P291-Y293 HydrophobicContact CB-CE2 3.94Å; P291-Y293 HydrophobicContact CB-CG 4.27Å; P291-Y293 VanDerWaalsContact CB-CZ 3.41Å; P291-Y293 HydrophobicContact CG-CE1 4.24Å; P291-Y293 PolarHBondContact O-N 3.03Å; Y293-G600 PolarHBondContact OH-O 3.46Å
294	H	88	Confident	94.2	Very high	41 Å²	41	7.8 Å²	7.8	19%	0.19	4%	0.037	C	C	.	.	S	Bend	trans	-104.5	150.9	176.7	-169.3	-95.6	0	0	0	110.9	P291 L292 S296 G297 G298	P291-H294 PolarHBondContact O-N 2.79Å; L292-H294 PolarHBondContact O-N 3.37Å; L292-H294 VanDerWaalsContact O-N 3.15Å; H294-S296 PolarHBondContact ND1-N 3.38Å; H294-S296 PolarHBondContact ND1-OG 3.21Å; H294-S296 PolarHBondContact O-N 3.2Å; H294-S296 VanDerWaalsContact O-N 3.12Å; H294-G297 PolarHBondContact O-N 2.87Å; H294-G297 VanDerWaalsContact O-N 3.16Å; H294-G298 PolarHBondContact O-N 3.39Å
295	T	91.6	Very high	94.3	Very high	5 Å²	5	7.6 Å²	7.6	3%	0.031	4%	0.035	C	C	.	.	H	α-helix	trans	-50.9	-40.3	-179.6	-56.2	0	0	0	0	112.9	I248 M270 I299 I300 T391	I248-T295 WeakPolarHBondContact CD1-OG1 3.27Å; M270-T295 HydrophobicContact SD-CG2 3.71Å; T295-I299 HydrophobicContact CG2-CB 4.36Å; T295-I299 HydrophobicContact CG2-CD1 4.23Å; T295-I299 HydrophobicContact CG2-CG1 4.44Å; T295-I299 WeakPolarHBondContact O-CA 3.47Å; T295-I299 WeakPolarHBondContact O-CB 3.19Å; T295-I299 PolarHBondContact O-N 3.17Å; T295-I300 HydrophobicContact CG2-CG1 4.3Å; T295-I300 PolarHBondContact O-N 2.8Å; T295-T391 WeakPolarHBondContact OG1-CB 3.41Å; T295-T391 VanDerWaalsContact OG1-CG2 3.29Å; T295-T391 WeakPolarHBondContact OG1-CG2 3.44Å; T295-T391 PolarHBondContact OG1-OG1 3.31Å
296	S	89.3	Confident	94.2	Very high	13 Å²	13	5.2 Å²	5.2	9%	0.091	3%	0.026	C	C	.	.	I	π-helix	trans	-59.2	-55.8	178.7	52.7	0	0	0	0	111.8	H294 I300 G301 L336	H294-S296 PolarHBondContact ND1-N 3.38Å; H294-S296 PolarHBondContact ND1-OG 3.21Å; H294-S296 PolarHBondContact O-N 3.2Å; H294-S296 VanDerWaalsContact O-N 3.12Å; S296-I300 CarbonylContact O-C 3.6Å; S296-I300 WeakPolarHBondContact O-CB 3.34Å; S296-I300 PolarHBondContact O-N 3.33Å; S296-G301 PolarHBondContact O-N 3.02Å; S296-L336 WeakPolarHBondContact O-CD2 3.33Å
297	G	92.3	Very high	94.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-71.5	-53.3	179.1	0	0	0	0	0	112.6	P291 L292 H294 I299 M302	P291-G297 WeakPolarHBondContact O-CA 3.35Å; L292-G297 WeakPolarHBondContact CD2-O 3.3Å; H294-G297 PolarHBondContact O-N 2.87Å; H294-G297 VanDerWaalsContact O-N 3.16Å; G297-I299 PolarHBondContact O-N 3.48Å; G297-M302 PolarHBondContact O-N 2.82Å
298	G	94.4	Very high	94.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.038	C	C	.	.	I	π-helix	trans	-75.3	-22.9	-169.2	0	0	0	0	0	115.7	Y267 L292 H294	Y267-G298 PolarHBondContact OH-O 2.81Å; L292-G298 WeakPolarHBondContact O-CA 3.1Å; L292-G298 PolarHBondContact O-N 3.08Å; H294-G298 PolarHBondContact O-N 3.39Å
299	I	95.3	Very high	94.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	I	π-helix	trans	-120.3	-54.1	-177.2	-46.3	-167.7	0	0	0	110.8	I248 I262 Y267 M270 T295 G297 G303	I248-I299 HydrophobicContact CD1-CD1 3.67Å; I248-I299 HydrophobicContact CD1-CG1 4.17Å; I262-I299 HydrophobicContact CG1-CD1 4.45Å; I262-I299 HydrophobicContact CG2-CD1 3.92Å; Y267-I299 HydrophobicContact CD1-CG2 4.47Å; Y267-I299 HydrophobicContact CD2-CB 4.3Å; Y267-I299 HydrophobicContact CD2-CD1 3.71Å; Y267-I299 HydrophobicContact CD2-CG1 3.72Å; Y267-I299 HydrophobicContact CD2-CG2 3.9Å; Y267-I299 HydrophobicContact CE2-CB 4.06Å; Y267-I299 HydrophobicContact CE2-CD1 4.08Å; Y267-I299 HydrophobicContact CE2-CG1 3.55Å; Y267-I299 HydrophobicContact CE2-CG2 3.99Å; Y267-I299 HydrophobicContact CG-CG2 4.13Å; M270-I299 HydrophobicContact CB-CG2 3.47Å; M270-I299 VanDerWaalsContact CB-CG2 3.47Å; M270-I299 HydrophobicContact CE-CD1 3.64Å; M270-I299 HydrophobicContact CE-CG2 4.27Å; M270-I299 HydrophobicContact CG-CG2 4.43Å; M270-I299 HydrophobicContact SD-CD1 4.38Å; M270-I299 HydrophobicContact SD-CG2 4.24Å; T295-I299 HydrophobicContact CG2-CB 4.36Å; T295-I299 HydrophobicContact CG2-CD1 4.23Å; T295-I299 HydrophobicContact CG2-CG1 4.44Å; T295-I299 WeakPolarHBondContact O-CA 3.47Å; T295-I299 WeakPolarHBondContact O-CB 3.19Å; T295-I299 PolarHBondContact O-N 3.17Å; G297-I299 PolarHBondContact O-N 3.48Å; I299-G303 WeakPolarHBondContact O-CA 3.45Å; I299-G303 PolarHBondContact O-N 3.31Å; I299-G303 VanDerWaalsContact O-N 3.08Å
300	I	94	Very high	94.3	Very high	5 Å²	5	6.8 Å²	6.8	3%	0.026	4%	0.037	C	C	.	.	I	π-helix	trans	-74.3	-31.5	-174.4	-55.4	-61.9	0	0	0	111.3	M270 V274 T295 S296 Q304 L336 Y363 L387 F397	M270-I300 HydrophobicContact CB-CD1 4.05Å; M270-I300 HydrophobicContact CG-CD1 4.43Å; V274-I300 HydrophobicContact CG1-CG2 4.39Å; V274-I300 HydrophobicContact CG2-CD1 3.81Å; V274-I300 HydrophobicContact CG2-CG2 3.9Å; T295-I300 HydrophobicContact CG2-CG1 4.3Å; T295-I300 PolarHBondContact O-N 2.8Å; S296-I300 CarbonylContact O-C 3.6Å; S296-I300 WeakPolarHBondContact O-CB 3.34Å; S296-I300 PolarHBondContact O-N 3.33Å; I300-Q304 WeakPolarHBondContact O-CG 3.1Å; I300-Q304 PolarHBondContact O-NE2 3.29Å; I300-L336 HydrophobicContact CG2-CD1 4.18Å; I300-Y363 HydrophobicContact CG2-CD2 4.09Å; I300-Y363 HydrophobicContact CG2-CE2 3.53Å; I300-Y363 PolarHBondContact O-OH 2.95Å; I300-L387 HydrophobicContact CG2-CD2 4.04Å; I300-F397 HydrophobicContact CD1-CZ 4.48Å
301	G	95.9	Very high	94.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.038	C	C	.	.	I	π-helix	trans	-86.6	-80.7	169.8	0	0	0	0	0	112.6	S296 G303 Q304	S296-G301 PolarHBondContact O-N 3.02Å; G301-G303 PolarHBondContact O-N 3.36Å; G301-Q304 VanDerWaalsContact O-CB 3.3Å; G301-Q304 WeakPolarHBondContact O-CB 3.29Å; G301-Q304 WeakPolarHBondContact O-CG 3.47Å; G301-Q304 PolarHBondContact O-N 2.86Å
302	M	97.2	Very high	95.2	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.01	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.7	-174.1	-175.9	176	68.6	0	0	113.5	L93 L144 L292 G297 Q304 T305 L306	L93-M302 HydrophobicContact CD1-SD 4.34Å; L93-M302 HydrophobicContact CD2-CG 4.04Å; L144-M302 HydrophobicContact CD2-CE 4.43Å; L292-M302 HydrophobicContact CD1-SD 3.99Å; L292-M302 HydrophobicContact CD2-CB 3.98Å; L292-M302 HydrophobicContact CD2-SD 4.3Å; G297-M302 PolarHBondContact O-N 2.82Å; M302-Q304 PolarHBondContact O-N 3.33Å; M302-T305 WeakPolarHBondContact O-CB 3.39Å; M302-T305 PolarHBondContact O-N 3.47Å; M302-L306 HydrophobicContact CE-CD1 4.25Å; M302-L306 HydrophobicContact CG-CD1 4.39Å; M302-L306 HydrophobicContact CG-CG 4.37Å; M302-L306 PolarHBondContact O-N 3.02Å
303	G	97.3	Very high	95.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-63.7	-21.9	176.2	0	0	0	0	0	113.5	Y267 A271 I299 G301 T305 L306 V307	Y267-G303 VanDerWaalsContact OH-CA 3.25Å; Y267-G303 WeakPolarHBondContact OH-CA 3.39Å; Y267-G303 PolarHBondContact OH-N 3Å; A271-G303 WeakPolarHBondContact CB-O 3.26Å; I299-G303 WeakPolarHBondContact O-CA 3.45Å; I299-G303 PolarHBondContact O-N 3.31Å; I299-G303 VanDerWaalsContact O-N 3.08Å; G301-G303 PolarHBondContact O-N 3.36Å; G303-T305 PolarHBondContact O-N 3.37Å; G303-L306 PolarHBondContact O-N 2.88Å; G303-V307 VanDerWaalsContact O-CB 3.27Å; G303-V307 WeakPolarHBondContact O-CB 3.47Å; G303-V307 PolarHBondContact O-N 2.8Å
304	Q	97.6	Very high	95.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62	-35.2	171.3	-59.5	-55.3	-50.2	0	0	111.6	A271 H275 I280 I286 I300 G301 M302 C308 G309 N310	A271-Q304 PolarHBondContact O-NE2 2.82Å; H275-Q304 PolarHBondContact ND1-OE1 3.24Å; I280-Q304 HydrophobicContact CD1-CG 4.28Å; I286-Q304 HydrophobicContact CD1-CB 3.39Å; I286-Q304 HydrophobicContact CD1-CG 3.55Å; I300-Q304 WeakPolarHBondContact O-CG 3.1Å; I300-Q304 PolarHBondContact O-NE2 3.29Å; G301-Q304 VanDerWaalsContact O-CB 3.3Å; G301-Q304 WeakPolarHBondContact O-CB 3.29Å; G301-Q304 WeakPolarHBondContact O-CG 3.47Å; G301-Q304 PolarHBondContact O-N 2.86Å; M302-Q304 PolarHBondContact O-N 3.33Å; Q304-C308 CarbonylContact O-C 3.58Å; Q304-C308 WeakPolarHBondContact O-CA 3.31Å; Q304-C308 VanDerWaalsContact O-CB 3.24Å; Q304-C308 WeakPolarHBondContact O-CB 3.42Å; Q304-C308 PolarHBondContact O-N 3.43Å; Q304-C308 VanDerWaalsContact O-N 3.09Å; Q304-G309 PolarHBondContact O-N 3.15Å; Q304-N310 HydrophobicContact CB-CB 4.15Å; Q304-N310 PolarHBondContact O-N 2.99Å
305	T	98	Very high	96	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-71.8	-50.7	172.6	-61	0	0	0	0	111.1	A92 L93 F104 M302 G303 V307 G309 N310 C312	A92-T305 HydrophobicContact CB-CG2 3.78Å; A92-T305 WeakPolarHBondContact O-CG2 3.26Å; A92-T305 PolarHBondContact O-OG1 3Å; L93-T305 HydrophobicContact CD2-CG2 4.01Å; L93-T305 HydrophobicContact CG-CG2 4.1Å; F104-T305 HydrophobicContact CE1-CG2 4.02Å; F104-T305 HydrophobicContact CZ-CG2 3.99Å; M302-T305 WeakPolarHBondContact O-CB 3.39Å; M302-T305 PolarHBondContact O-N 3.47Å; G303-T305 PolarHBondContact O-N 3.37Å; T305-V307 PolarHBondContact O-N 2.84Å; T305-G309 WeakPolarHBondContact O-CA 3.45Å; T305-G309 PolarHBondContact O-N 3.42Å; T305-G309 VanDerWaalsContact O-N 3.16Å; T305-N310 WeakPolarHBondContact CA-O 3.27Å; T305-N310 VanDerWaalsContact CB-O 3.24Å; T305-N310 WeakPolarHBondContact CB-O 3.37Å; T305-N310 VanDerWaalsContact CG2-O 3.32Å; T305-N310 WeakPolarHBondContact CG2-O 3.25Å; T305-N310 PolarHBondContact OG1-O 3.27Å; T305-C312 WeakPolarHBondContact OG1-CB 3.22Å; T305-C312 PolarHBondContact OG1-N 2.84Å
306	L	97.5	Very high	95.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-71.4	-27.8	-171.1	-57	-173	0	0	0	114	V76 F80 L107 L144 L145 M302 G303	V76-L306 HydrophobicContact CG1-CB 4.4Å; F80-L306 HydrophobicContact CD2-CB 4.44Å; F80-L306 HydrophobicContact CD2-CD2 3.98Å; F80-L306 HydrophobicContact CE2-CD2 3.85Å; L107-L306 HydrophobicContact CD2-CD2 4.1Å; L144-L306 HydrophobicContact CD2-CD1 3.72Å; L145-L306 HydrophobicContact CD1-CD2 4.01Å; L145-L306 HydrophobicContact CG-CD2 4.4Å; M302-L306 HydrophobicContact CE-CD1 4.25Å; M302-L306 HydrophobicContact CG-CD1 4.39Å; M302-L306 HydrophobicContact CG-CG 4.37Å; M302-L306 PolarHBondContact O-N 3.02Å; G303-L306 PolarHBondContact O-N 2.88Å
307	V	96.6	Very high	95.6	Very high	9 Å²	9	12.2 Å²	12.2	6%	0.055	6%	0.055	C	C	.	.	H	α-helix	trans	-112.1	-29.5	-173.6	177.7	0	0	0	0	112.3	F65 L79 I83 Y267 M268 A271 N272 G303 T305	F65-V307 HydrophobicContact CZ-CG1 4.44Å; L79-V307 HydrophobicContact CD2-CB 4.17Å; L79-V307 HydrophobicContact CD2-CG1 3.55Å; I83-V307 VanDerWaalsContact CD1-O 3.31Å; I83-V307 WeakPolarHBondContact CD1-O 3.27Å; Y267-V307 HydrophobicContact CD1-CG2 3.87Å; Y267-V307 HydrophobicContact CE1-CG2 3.76Å; M268-V307 HydrophobicContact CB-CG1 4.21Å; M268-V307 HydrophobicContact CG-CG1 4.4Å; M268-V307 HydrophobicContact CG-CG2 4.19Å; A271-V307 HydrophobicContact CB-CB 3.67Å; A271-V307 HydrophobicContact CB-CG1 3.99Å; A271-V307 HydrophobicContact CB-CG2 3.77Å; N272-V307 HydrophobicContact CB-CG1 4.22Å; G303-V307 VanDerWaalsContact O-CB 3.27Å; G303-V307 WeakPolarHBondContact O-CB 3.47Å; G303-V307 PolarHBondContact O-N 2.8Å; T305-V307 PolarHBondContact O-N 2.84Å
308	C	96.5	Very high	95.3	Very high	27 Å²	27	14 Å²	14	18%	0.182	6%	0.063	C	C	.	.	H	α-helix	trans	-116.2	-9.4	-173.5	-48.7	0	0	0	0	113.6	H275 Q304	H275-C308 HydrophobicContact CB-CB 4.48Å; H275-C308 WeakPolarHBondContact ND1-CB 3.49Å; Q304-C308 CarbonylContact O-C 3.58Å; Q304-C308 WeakPolarHBondContact O-CA 3.31Å; Q304-C308 VanDerWaalsContact O-CB 3.24Å; Q304-C308 WeakPolarHBondContact O-CB 3.42Å; Q304-C308 PolarHBondContact O-N 3.43Å; Q304-C308 VanDerWaalsContact O-N 3.09Å
309	G	97.2	Very high	95.1	Very high	1 Å²	1	15 Å²	15	1%	0.01	7%	0.07	C	C	.	.			trans	78	19.6	176.9	0	0	0	0	0	115	K90 F104 Q304 T305	K90-G309 PolarHBondContact NZ-O 3.05Å; F104-G309 WeakPolarHBondContact CZ-O 3.49Å; Q304-G309 PolarHBondContact O-N 3.15Å; T305-G309 WeakPolarHBondContact O-CA 3.45Å; T305-G309 PolarHBondContact O-N 3.42Å; T305-G309 VanDerWaalsContact O-N 3.16Å
310	N	98	Very high	94.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.			trans	-75	157.4	172.2	-75	95.6	0	0	0	112.1	H275 K281 D284 I286 Q304 T305	H275-N310 PolarHBondContact CE1-OD1 3.36Å; H275-N310 VanDerWaalsContact CE1-OD1 3.29Å; H275-N310 PolarHBondContact ND1-OD1 2.54Å; K281-N310 PolarHBondContact O-ND2 2.82Å; D284-N310 PolarHBondContact O-ND2 3Å; I286-N310 HydrophobicContact CD1-CB 3.9Å; I286-N310 HydrophobicContact CG1-CB 4.43Å; Q304-N310 HydrophobicContact CB-CB 4.15Å; Q304-N310 PolarHBondContact O-N 2.99Å; T305-N310 WeakPolarHBondContact CA-O 3.27Å; T305-N310 VanDerWaalsContact CB-O 3.24Å; T305-N310 WeakPolarHBondContact CB-O 3.37Å; T305-N310 VanDerWaalsContact CG2-O 3.32Å; T305-N310 WeakPolarHBondContact CG2-O 3.25Å; T305-N310 PolarHBondContact OG1-O 3.27Å
311	T	98.4	Very high	94.7	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.025	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.1	168.6	-53.9	0	0	0	0	109.3	T91 A92 R285 I286	T91-T311 HydrophobicContact CG2-CG2 3.93Å; T91-T311 WeakPolarHBondContact O-CB 3.38Å; T91-T311 WeakPolarHBondContact O-CG2 3.26Å; T91-T311 PolarHBondContact O-OG1 3.3Å; A92-T311 WeakPolarHBondContact O-CA 3.11Å; R285-T311 WeakPolarHBondContact CA-O 3.46Å; I286-T311 PolarHBondContact N-O 3.46Å
312	C	98.3	Very high	94.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.6	175.3	170.9	0	0	0	0	110.5	A92 L93 E94 I286 V288 T305	A92-C312 PolarHBondContact O-N 2.77Å; L93-C312 WeakPolarHBondContact CA-O 3.38Å; L93-C312 HydrophobicContact CD2-CB 3.75Å; E94-C312 PolarHBondContact N-O 2.79Å; E94-C312 VanDerWaalsContact N-O 3.08Å; I286-C312 CarbonylContact O-C 3.56Å; I286-C312 WeakPolarHBondContact O-CA 3.17Å; V288-C312 VanDerWaalsContact CG2-SG 3.52Å; T305-C312 WeakPolarHBondContact OG1-CB 3.22Å; T305-C312 PolarHBondContact OG1-N 2.84Å
313	V	98.2	Very high	94.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.9	180	-173.7	0	0	0	0	107.7	E94 A96 I286 Y287 V288 H330	E94-V313 HydrophobicContact CG-CB 4.11Å; E94-V313 HydrophobicContact CG-CG1 3.97Å; E94-V313 HydrophobicContact CG-CG2 3.91Å; E94-V313 WeakPolarHBondContact OE1-CG1 3.3Å; E94-V313 WeakPolarHBondContact OE1-CG2 3.42Å; A96-V313 HydrophobicContact CB-CG1 4Å; I286-V313 PolarHBondContact O-N 3.11Å; Y287-V313 HydrophobicContact CD2-CB 4.1Å; Y287-V313 HydrophobicContact CD2-CG1 3.98Å; Y287-V313 WeakPolarHBondContact CD2-O 3.14Å; Y287-V313 HydrophobicContact CE2-CG1 4.38Å; V288-V313 PolarHBondContact N-O 3.23Å; V313-H330 HydrophobicContact CG1-CB 3.89Å; V313-H330 HydrophobicContact CG2-CB 4.25Å
314	L	97.5	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	148.9	-174.1	-65.4	170.2	0	0	0	111.2	L93 E94 M95 A96 P138 V288 L292	L93-L314 HydrophobicContact CD2-CD1 4.37Å; E94-L314 WeakPolarHBondContact O-CB 3.39Å; E94-L314 PolarHBondContact O-N 3.18Å; M95-L314 CarbonylContact C-O 3.55Å; M95-L314 WeakPolarHBondContact CA-O 3.36Å; M95-L314 HydrophobicContact SD-CB 3.76Å; A96-L314 WeakPolarHBondContact CB-O 3.49Å; A96-L314 PolarHBondContact N-O 3.05Å; P138-L314 HydrophobicContact CG-CD1 4.44Å; V288-L314 HydrophobicContact CB-CD2 4Å; V288-L314 HydrophobicContact CG1-CD2 4.07Å; V288-L314 WeakPolarHBondContact O-CA 3.24Å; L292-L314 HydrophobicContact CD1-CD1 4.14Å; L292-L314 HydrophobicContact CD1-CD2 4.27Å; L292-L314 HydrophobicContact CD2-CD2 3.9Å; L292-L314 HydrophobicContact CG-CD2 4.42Å
315	R	93.8	Very high	94.4	Very high	35 Å²	35	27 Å²	27	13%	0.132	13%	0.132	C	C	.	.			trans	-124	141.4	164	-164.4	177	178.2	91.3	7	109.3	N136 Y287 V288 T289 R317 S319 N322 D326	N136-R315 WeakPolarHBondContact CB-O 3.4Å; N136-R315 PolarHBondContact ND2-O 3.07Å; Y287-R315 HydrophobicContact CE2-CB 4.49Å; Y287-R315 WeakPolarHBondContact OH-CD 3.46Å; V288-R315 PolarHBondContact O-N 3.16Å; T289-R315 HydrophobicContact CG2-CB 4.21Å; R315-R317 WeakPolarHBondContact CD-O 3.39Å; R315-R317 VanDerWaalsContact CG-O 3.24Å; R315-R317 WeakPolarHBondContact CG-O 3.23Å; R315-R317 PolarHBondContact NE-O 2.89Å; R315-R317 PolarHBondContact O-N 3.08Å; R315-S319 VanDerWaalsContact NE-CB 3.32Å; R315-N322 PolarHBondContact NH2-ND2 2.59Å; R315-D326 WeakPolarHBondContact CD-OD2 3.07Å; R315-D326 IonicContact CZ-OD2 3.82Å; R315-D326 IonicContact NE-OD2 3.06Å; R315-D326 IonicContact NH1-OD1 3.71Å; R315-D326 PolarHBondContact NH1-OD1 2.62Å; R315-D326 IonicContact NH1-OD2 2.97Å; R315-D326 PolarHBondContact NH1-OD2 3.02Å
316	P	88.3	Confident	94.3	Very high	22 Å²	22	27.1 Å²	27.1	14%	0.143	13%	0.133	C	C	.	.	S	Bend	trans	-58.5	-39.9	-178.4	-24.2	34.4	0	0	0	112.3	M95 D97	M95-P316 HydrophobicContact CE-CB 4.46Å; M95-P316 HydrophobicContact CE-CG 3.36Å; D97-P316 WeakPolarHBondContact OD1-CD 3.38Å; D97-P316 WeakPolarHBondContact OD2-CD 3.38Å; D97-P316 VanDerWaalsContact OD2-CG 3.32Å; D97-P316 WeakPolarHBondContact OD2-CG 3.34Å
317	R	84.4	Confident	94.3	Very high	152 Å²	152	27.1 Å²	27.1	57%	0.574	13%	0.133	S	C	*	.	S	Bend	trans	-143.7	149.9	-179.1	-58	-177.3	-165.6	173	-0.2	110	Q135 R315	Q135-R317 VanDerWaalsContact OE1-NE 3.16Å; R315-R317 WeakPolarHBondContact CD-O 3.39Å; R315-R317 VanDerWaalsContact CG-O 3.24Å; R315-R317 WeakPolarHBondContact CG-O 3.23Å; R315-R317 PolarHBondContact NE-O 2.89Å; R315-R317 PolarHBondContact O-N 3.08Å
318	F	87.4	Confident	94.3	Very high	36 Å²	36	28.7 Å²	28.7	16%	0.158	15%	0.145	C	C	.	.			trans	-59.3	140.8	176	173.5	-107.4	0	0	0	111.5	T289 A320 F323 I341 Y344 L345	T289-F318 HydrophobicContact CG2-CD2 4.38Å; F318-A320 HydrophobicContact CE1-CB 3.95Å; F318-A320 HydrophobicContact CZ-CB 3.89Å; F318-F323 HydrophobicContact CD2-CD2 4.36Å; F318-F323 AromaticContact CE2-CD2 3.81Å; F318-F323 HydrophobicContact CE2-CD2 3.81Å; F318-F323 HydrophobicContact CE2-CE2 4.42Å; F318-I341 HydrophobicContact CD2-CD1 3.69Å; F318-I341 HydrophobicContact CD2-CG1 3.88Å; F318-I341 HydrophobicContact CE2-CB 4.22Å; F318-I341 HydrophobicContact CE2-CD1 3.89Å; F318-I341 HydrophobicContact CE2-CG1 3.73Å; F318-I341 HydrophobicContact CE2-CG2 3.76Å; F318-I341 HydrophobicContact CG-CD1 4.36Å; F318-I341 HydrophobicContact CG-CG1 4.35Å; F318-I341 HydrophobicContact CZ-CB 4.42Å; F318-I341 HydrophobicContact CZ-CG1 4.08Å; F318-I341 HydrophobicContact CZ-CG2 4.18Å; F318-Y344 HydrophobicContact CD1-CD2 4.39Å; F318-Y344 AromaticContact CE1-CD2 3.71Å; F318-Y344 HydrophobicContact CE1-CD2 3.71Å; F318-Y344 HydrophobicContact CE1-CG 4.03Å; F318-Y344 HydrophobicContact CZ-CD2 4.39Å; F318-L345 HydrophobicContact CZ-CD2 4.39Å
319	S	90.5	Very high	94.2	Very high	21 Å²	21	33.2 Å²	33.2	15%	0.147	16%	0.163	C	C	.	.			trans	-141.9	105.1	176	179.9	0	0	0	0	109.3	R315 S321 N322 F323	R315-S319 VanDerWaalsContact NE-CB 3.32Å; S319-S321 VanDerWaalsContact C-N 3.28Å; S319-S321 PolarHBondContact O-N 2.87Å; S319-N322 PolarHBondContact O-N 3.31Å; S319-N322 PolarHBondContact OG-ND2 2.77Å; S319-F323 PolarHBondContact O-N 2.9Å
320	A	88.7	Confident	94.2	Very high	18 Å²	18	35 Å²	35	15%	0.149	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-39.4	-178.6	0	0	0	0	0	112.4	F318 Q348	F318-A320 HydrophobicContact CE1-CB 3.95Å; F318-A320 HydrophobicContact CZ-CB 3.89Å; A320-Q348 HydrophobicContact CB-CG 3.89Å
321	S	91.2	Very high	94.1	Very high	74 Å²	74	40.7 Å²	40.7	52%	0.517	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.3	-179.3	57.1	0	0	0	0	114.4	S319	S319-S321 VanDerWaalsContact C-N 3.28Å; S319-S321 PolarHBondContact O-N 2.87Å
322	N	94	Very high	94.1	Very high	35 Å²	35	40.5 Å²	40.5	19%	0.187	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-11.7	178.7	-69.4	-64.3	0	0	0	113.5	R315 S319 W324 R325 D326	R315-N322 PolarHBondContact NH2-ND2 2.59Å; S319-N322 PolarHBondContact O-N 3.31Å; S319-N322 PolarHBondContact OG-ND2 2.77Å; N322-W324 PolarHBondContact O-N 2.8Å; N322-R325 WeakPolarHBondContact O-CB 3.25Å; N322-R325 PolarHBondContact O-N 2.78Å; N322-R325 VanDerWaalsContact O-N 3.07Å; N322-R325 PolarHBondContact OD1-NH1 2.8Å; N322-D326 WeakPolarHBondContact O-CB 3.4Å; N322-D326 VanDerWaalsContact O-CG 3.29Å; N322-D326 PolarHBondContact O-N 2.79Å
323	F	95.5	Very high	94.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-50.1	-54.8	-173.2	-171.8	-82.9	0	0	0	113.3	Y287 T289 F318 S319 C327 A335 I341 L345 M362	Y287-F323 HydrophobicContact CD1-CD2 4.05Å; Y287-F323 HydrophobicContact CD1-CE1 4.44Å; Y287-F323 AromaticContact CD1-CE2 3.74Å; Y287-F323 HydrophobicContact CD1-CE2 3.74Å; Y287-F323 AromaticContact CD1-CZ 3.96Å; Y287-F323 HydrophobicContact CD1-CZ 3.96Å; Y287-F323 AromaticContact CE1-CD2 3.51Å; Y287-F323 HydrophobicContact CE1-CD2 3.51Å; Y287-F323 AromaticContact CE1-CE2 3.67Å; Y287-F323 HydrophobicContact CE1-CE2 3.67Å; Y287-F323 AromaticContact CE1-CG 3.97Å; Y287-F323 HydrophobicContact CE1-CG 3.97Å; Y287-F323 HydrophobicContact CE1-CZ 4.26Å; T289-F323 HydrophobicContact CG2-CD2 4.4Å; T289-F323 HydrophobicContact CG2-CE2 4.45Å; F318-F323 HydrophobicContact CD2-CD2 4.36Å; F318-F323 AromaticContact CE2-CD2 3.81Å; F318-F323 HydrophobicContact CE2-CD2 3.81Å; F318-F323 HydrophobicContact CE2-CE2 4.42Å; S319-F323 PolarHBondContact O-N 2.9Å; F323-C327 PolarHBondContact O-N 3.41Å; F323-C327 VanDerWaalsContact O-N 3.07Å; F323-C327 PolarHBondContact O-SG 2.77Å; F323-A335 HydrophobicContact CE1-CB 4.41Å; F323-A335 HydrophobicContact CZ-CB 3.88Å; F323-I341 HydrophobicContact CE2-CG2 4.14Å; F323-L345 HydrophobicContact CB-CD2 3.46Å; F323-L345 VanDerWaalsContact CB-CD2 3.46Å; F323-L345 HydrophobicContact CD1-CD1 3.81Å; F323-L345 HydrophobicContact CD1-CD2 3.9Å; F323-L345 HydrophobicContact CD2-CD1 4.22Å; F323-L345 HydrophobicContact CD2-CD2 4.15Å; F323-L345 HydrophobicContact CE1-CD1 3.83Å; F323-L345 HydrophobicContact CE2-CD1 4.24Å; F323-L345 HydrophobicContact CG-CD1 4.03Å; F323-L345 HydrophobicContact CG-CD2 3.58Å; F323-L345 HydrophobicContact CG-CG 4.42Å; F323-L345 HydrophobicContact CZ-CD1 4.05Å; F323-M362 HydrophobicContact CZ-CE 4.16Å
324	W	96.6	Very high	94.1	Very high	13 Å²	13	42.3 Å²	42.3	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-73.3	-30.5	-179.3	-56.8	120.6	0	0	0	113.1	N322 C327 S328 L345 M353 H357 I359 M362 F375 F379 I381	N322-W324 PolarHBondContact O-N 2.8Å; W324-C327 PolarHBondContact O-N 3.33Å; W324-S328 WeakPolarHBondContact O-CB 3.49Å; W324-S328 PolarHBondContact O-N 3.25Å; W324-L345 HydrophobicContact CH2-CD1 4.48Å; W324-L345 HydrophobicContact CZ2-CD1 3.85Å; W324-M353 HydrophobicContact CB-CB 4Å; W324-H357 AromaticContact CD2-CD2 3.72Å; W324-H357 HydrophobicContact CE3-CB 4.28Å; W324-H357 AromaticContact CE3-CD2 3.07Å; W324-H357 AromaticContact CE3-CG 3.71Å; W324-H357 AromaticContact CE3-NE2 3.53Å; W324-H357 AromaticContact CH2-NE2 3.96Å; W324-H357 AromaticContact CZ3-CD2 3.44Å; W324-H357 VanDerWaalsContact CZ3-CD2 3.44Å; W324-H357 WeakPolarHBondContact CZ3-CD2 3.35Å; W324-H357 AromaticContact CZ3-CE1 3.95Å; W324-H357 AromaticContact CZ3-NE2 3.36Å; W324-H357 WeakPolarHBondContact CZ3-NE2 3.19Å; W324-I359 HydrophobicContact CZ3-CG1 4.25Å; W324-M362 HydrophobicContact CH2-SD 4.05Å; W324-F375 HydrophobicContact CH2-CZ 4.25Å; W324-F375 HydrophobicContact CZ2-CE2 4.5Å; W324-F375 HydrophobicContact CZ2-CZ 4.25Å; W324-F379 HydrophobicContact CD2-CD1 4.32Å; W324-F379 AromaticContact CE2-CD1 3.39Å; W324-F379 AromaticContact CE2-CE1 3.53Å; W324-F379 AromaticContact CE2-CG 3.93Å; W324-F379 HydrophobicContact CH2-CB 3.87Å; W324-F379 HydrophobicContact CH2-CD1 4.13Å; W324-F379 HydrophobicContact CH2-CD2 4.34Å; W324-F379 AromaticContact CH2-CG 3.85Å; W324-F379 HydrophobicContact CH2-CG 3.85Å; W324-F379 HydrophobicContact CZ2-CB 3.85Å; W324-F379 AromaticContact CZ2-CD1 3.29Å; W324-F379 HydrophobicContact CZ2-CD1 3.29Å; W324-F379 AromaticContact CZ2-CD2 3.65Å; W324-F379 HydrophobicContact CZ2-CD2 3.65Å; W324-F379 AromaticContact CZ2-CE1 3.68Å; W324-F379 HydrophobicContact CZ2-CE1 3.68Å; W324-F379 AromaticContact CZ2-CE2 4Å; W324-F379 HydrophobicContact CZ2-CE2 4Å; W324-F379 AromaticContact CZ2-CG 3.29Å; W324-F379 HydrophobicContact CZ2-CG 3.29Å; W324-F379 HydrophobicContact CZ2-CZ 4.01Å; W324-F379 AromaticContact NE1-CD1 3.46Å; W324-F379 AromaticContact NE1-CE1 3.08Å; W324-F379 AromaticContact NE1-CZ 3.69Å; W324-I381 HydrophobicContact CH2-CD1 4.05Å; W324-I381 HydrophobicContact CZ3-CD1 4.14Å
325	R	95.6	Very high	94.1	Very high	119 Å²	119	42.3 Å²	42.3	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-65.3	-49.1	175.4	-174.9	-177.4	-66.7	142.3	-3.5	110.9	N322 C327 S328 Q329	N322-R325 WeakPolarHBondContact O-CB 3.25Å; N322-R325 PolarHBondContact O-N 2.78Å; N322-R325 VanDerWaalsContact O-N 3.07Å; N322-R325 PolarHBondContact OD1-NH1 2.8Å; R325-C327 VanDerWaalsContact C-N 3.33Å; R325-C327 PolarHBondContact O-N 3.48Å; R325-S328 PolarHBondContact O-N 3.43Å; R325-Q329 HydrophobicContact CG-CG 4.36Å; R325-Q329 WeakPolarHBondContact O-CB 3.21Å; R325-Q329 WeakPolarHBondContact O-CG 3.27Å; R325-Q329 PolarHBondContact O-N 2.69Å
326	D	95.9	Very high	94.2	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-46.4	175.7	-68	1.1	0	0	0	110.1	A96 Y287 R315 N322 S328 Q329 H330	A96-D326 HydrophobicContact CB-CB 4.16Å; Y287-D326 HydrophobicContact CE2-CB 3.7Å; Y287-D326 PolarHBondContact OH-OD2 3.44Å; R315-D326 WeakPolarHBondContact CD-OD2 3.07Å; R315-D326 IonicContact CZ-OD2 3.82Å; R315-D326 IonicContact NE-OD2 3.06Å; R315-D326 IonicContact NH1-OD1 3.71Å; R315-D326 PolarHBondContact NH1-OD1 2.62Å; R315-D326 IonicContact NH1-OD2 2.97Å; R315-D326 PolarHBondContact NH1-OD2 3.02Å; N322-D326 WeakPolarHBondContact O-CB 3.4Å; N322-D326 VanDerWaalsContact O-CG 3.29Å; N322-D326 PolarHBondContact O-N 2.79Å; D326-S328 VanDerWaalsContact C-N 3.25Å; D326-S328 PolarHBondContact O-N 3.2Å; D326-Q329 PolarHBondContact O-N 3.27Å; D326-H330 WeakPolarHBondContact O-CB 3.34Å; D326-H330 PolarHBondContact O-CD2 3.02Å; D326-H330 VanDerWaalsContact O-CD2 3.31Å; D326-H330 PolarHBondContact O-N 2.99Å
327	C	96.9	Very high	94.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-37.6	178.1	-70.5	0	0	0	0	112.7	Y287 F323 W324 R325 N331 C332 H357 I359	Y287-C327 VanDerWaalsContact CD1-SG 3.52Å; F323-C327 PolarHBondContact O-N 3.41Å; F323-C327 VanDerWaalsContact O-N 3.07Å; F323-C327 PolarHBondContact O-SG 2.77Å; W324-C327 PolarHBondContact O-N 3.33Å; R325-C327 VanDerWaalsContact C-N 3.33Å; R325-C327 PolarHBondContact O-N 3.48Å; C327-N331 PolarHBondContact O-N 3.26Å; C327-C332 HydrophobicContact CB-CB 4.07Å; C327-C332 PolarHBondContact O-N 3.32Å; C327-H357 HydrophobicContact CB-CB 4.36Å; C327-I359 HydrophobicContact CB-CD1 4.04Å; C327-I359 HydrophobicContact CB-CG1 4.03Å
328	S	96.4	Very high	94.5	Very high	42 Å²	42	33.4 Å²	33.4	29%	0.294	18%	0.176	S	C	.	.	H	α-helix	trans	-74	-50	177.8	-166.3	0	0	0	0	111.7	W324 R325 D326 H330 N331 M353 K356	W324-S328 WeakPolarHBondContact O-CB 3.49Å; W324-S328 PolarHBondContact O-N 3.25Å; R325-S328 PolarHBondContact O-N 3.43Å; D326-S328 VanDerWaalsContact C-N 3.25Å; D326-S328 PolarHBondContact O-N 3.2Å; S328-H330 VanDerWaalsContact C-N 3.3Å; S328-H330 PolarHBondContact O-N 3Å; S328-N331 PolarHBondContact O-N 3.24Å; S328-M353 VanDerWaalsContact CB-CE 3.43Å; S328-K356 WeakPolarHBondContact CB-O 3.23Å; S328-K356 PolarHBondContact OG-O 3.16Å
329	Q	95.9	Very high	94.1	Very high	121 Å²	121	32.1 Å²	32.1	57%	0.565	17%	0.173	S	C	*	.	H	α-helix	trans	-61.4	-37.1	-177.9	-74	177.5	-13.8	0	0	113.1	R325 D326	R325-Q329 HydrophobicContact CG-CG 4.36Å; R325-Q329 WeakPolarHBondContact O-CB 3.21Å; R325-Q329 WeakPolarHBondContact O-CG 3.27Å; R325-Q329 PolarHBondContact O-N 2.69Å; D326-Q329 PolarHBondContact O-N 3.27Å
330	H	96.6	Very high	93.6	Very high	40 Å²	40	32.1 Å²	32.1	19%	0.185	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	12.7	-177.8	-64.2	-78.2	0	0	0	113.1	E94 A96 R285 V313 D326 S328 C332	E94-H330 WeakPolarHBondContact OE1-CB 3.29Å; E94-H330 IonicContact OE1-CG 3Å; E94-H330 IonicContact OE1-ND1 2.81Å; E94-H330 PolarHBondContact OE1-ND1 3.41Å; A96-H330 WeakPolarHBondContact CA-NE2 3.36Å; A96-H330 PolarHBondContact O-NE2 3.43Å; R285-H330 PolarHBondContact NE-O 3.5Å; V313-H330 HydrophobicContact CG1-CB 3.89Å; V313-H330 HydrophobicContact CG2-CB 4.25Å; D326-H330 WeakPolarHBondContact O-CB 3.34Å; D326-H330 PolarHBondContact O-CD2 3.02Å; D326-H330 VanDerWaalsContact O-CD2 3.31Å; D326-H330 PolarHBondContact O-N 2.99Å; S328-H330 VanDerWaalsContact C-N 3.3Å; S328-H330 PolarHBondContact O-N 3Å; H330-C332 PolarHBondContact O-N 2.97Å
331	N	96.8	Very high	93.4	Very high	119 Å²	119	31.4 Å²	31.4	64%	0.636	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.3	178.7	-60	-59.9	0	0	0	113.5	C327 S328 T333	C327-N331 PolarHBondContact O-N 3.26Å; S328-N331 PolarHBondContact O-N 3.24Å; N331-T333 PolarHBondContact O-N 3Å
332	C	98.1	Very high	93.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.			trans	-67.2	133	177.9	-61.4	0	0	0	0	110.1	R285 C327 H330 G358 I359	R285-C332 WeakPolarHBondContact O-CA 3.26Å; C327-C332 HydrophobicContact CB-CB 4.07Å; C327-C332 PolarHBondContact O-N 3.32Å; H330-C332 PolarHBondContact O-N 2.97Å; C332-G358 CarbonylContact O-C 3.58Å; C332-G358 VanDerWaalsContact O-C 3.29Å; C332-I359 HydrophobicContact CB-CD1 3.74Å; C332-I359 WeakPolarHBondContact O-CD1 3.45Å; C332-I359 PolarHBondContact O-N 2.85Å
333	T	98.1	Very high	92.9	Very high	38 Å²	38	26.6 Å²	26.6	23%	0.233	13%	0.132	C	C	.	.			trans	-108.5	-19.8	176	54.8	0	0	0	0	112.2	D284 R285 N331 I359 R360 M361	D284-T333 VanDerWaalsContact CA-OG1 3.28Å; D284-T333 WeakPolarHBondContact CA-OG1 3.31Å; D284-T333 WeakPolarHBondContact CB-OG1 3.4Å; D284-T333 VanDerWaalsContact CG-OG1 3.32Å; D284-T333 WeakPolarHBondContact OD1-CB 3.46Å; D284-T333 PolarHBondContact OD1-OG1 3.11Å; R285-T333 PolarHBondContact N-OG1 3.19Å; R285-T333 PolarHBondContact O-N 3.32Å; N331-T333 PolarHBondContact O-N 3Å; T333-I359 CarbonylContact O-C 3.48Å; T333-I359 WeakPolarHBondContact O-CA 3.44Å; T333-R360 VanDerWaalsContact O-CG 3.26Å; T333-R360 WeakPolarHBondContact O-CG 3.42Å; T333-R360 PolarHBondContact O-N 2.95Å; T333-M361 PolarHBondContact O-N 2.92Å
334	V	98.2	Very high	92.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.5	178.5	-174.7	0	0	0	0	109.3	D284 R285 I286 Y287 M361 Y363	D284-V334 HydrophobicContact CB-CG2 3.84Å; R285-V334 PolarHBondContact O-N 3.3Å; R285-V334 VanDerWaalsContact O-N 3.15Å; I286-V334 CarbonylContact C-O 3.52Å; I286-V334 VanDerWaalsContact CA-O 3.3Å; I286-V334 WeakPolarHBondContact CA-O 3.46Å; I286-V334 HydrophobicContact CG1-CB 4.29Å; Y287-V334 PolarHBondContact N-O 3.27Å; V334-M361 VanDerWaalsContact CA-O 3.28Å; V334-M361 WeakPolarHBondContact CA-O 3.49Å; V334-M361 HydrophobicContact CG1-CB 4.39Å; V334-M361 HydrophobicContact CG1-CG 4.47Å; V334-M361 HydrophobicContact CG1-SD 4.16Å; V334-M361 HydrophobicContact CG2-CB 4.39Å; V334-Y363 HydrophobicContact CG1-CD1 3.44Å; V334-Y363 VanDerWaalsContact CG1-CD1 3.44Å; V334-Y363 HydrophobicContact CG1-CE1 3.46Å; V334-Y363 VanDerWaalsContact CG1-CE1 3.46Å
335	A	97.7	Very high	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.1	172.3	0	0	0	0	0	112.1	F323 I359 M361 M362 Y363	F323-A335 HydrophobicContact CE1-CB 4.41Å; F323-A335 HydrophobicContact CZ-CB 3.88Å; A335-I359 HydrophobicContact CB-CD1 4.11Å; A335-M361 PolarHBondContact N-O 2.81Å; A335-M361 VanDerWaalsContact N-O 3.13Å; A335-M362 HydrophobicContact CB-CE 4.5Å; A335-M362 HydrophobicContact CB-CG 4.21Å; A335-M362 VanDerWaalsContact O-CA 3.23Å; A335-M362 WeakPolarHBondContact O-CA 3.49Å; A335-Y363 PolarHBondContact O-N 2.8Å
336	L	96	Very high	91.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135	171.8	176.8	63.9	0	0	0	110.1	Y287 V288 M290 S296 I300 Y363	Y287-L336 PolarHBondContact O-N 2.82Å; V288-L336 HydrophobicContact CG1-CD2 4.26Å; V288-L336 HydrophobicContact CG2-CB 4.32Å; M290-L336 HydrophobicContact CB-CD2 4.11Å; M290-L336 HydrophobicContact CG-CD2 3.83Å; M290-L336 HydrophobicContact CG-CG 4.1Å; S296-L336 WeakPolarHBondContact O-CD2 3.33Å; I300-L336 HydrophobicContact CG2-CD1 4.18Å; L336-Y363 CarbonylContact C-O 3.29Å; L336-Y363 VanDerWaalsContact CA-O 3.31Å; L336-Y363 WeakPolarHBondContact CA-O 3.49Å; L336-Y363 HydrophobicContact CD1-CD2 3.8Å; L336-Y363 HydrophobicContact CD1-CE2 3.57Å; L336-Y363 WeakPolarHBondContact CD1-O 3.49Å
337	Y	92.9	Very high	91.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	164.2	178.2	80.1	-87.9	0	0	0	113.8	C342 M362 Y363 G364 L367 I384 E386	Y337-C342 WeakPolarHBondContact CD2-SG 3.35Å; Y337-M362 HydrophobicContact CD1-CB 3.83Å; Y337-M362 HydrophobicContact CD1-CE 4.31Å; Y337-M362 HydrophobicContact CE1-CB 4.26Å; Y337-M362 HydrophobicContact CG-CE 4.27Å; Y337-Y363 VanDerWaalsContact CD1-O 3.25Å; Y337-Y363 WeakPolarHBondContact CD1-O 3.46Å; Y337-Y363 PolarHBondContact N-O 2.76Å; Y337-G364 VanDerWaalsContact CE1-N 3.35Å; Y337-G364 WeakPolarHBondContact O-CA 3.43Å; Y337-L367 HydrophobicContact CE2-CB 3.8Å; Y337-I384 HydrophobicContact CE1-CG2 4.03Å; Y337-I384 WeakPolarHBondContact OH-CG2 3.45Å; Y337-E386 WeakPolarHBondContact OH-CG 3.28Å; Y337-E386 PolarHBondContact OH-OE1 3.2Å
338	I	84.6	Confident	91.1	Very high	20 Å²	20	28.6 Å²	28.6	10%	0.103	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.6	157.5	57.6	177.4	0	0	0	107.5	M290 E340 I341 Y602	M290-I338 HydrophobicContact CE-CD1 3.96Å; M290-I338 HydrophobicContact CE-CG1 4.09Å; M290-I338 HydrophobicContact SD-CB 4.19Å; M290-I338 HydrophobicContact SD-CD1 3.65Å; M290-I338 HydrophobicContact SD-CG1 3.68Å; M290-I338 HydrophobicContact SD-CG2 3.58Å; M290-I338 VanDerWaalsContact SD-CG2 3.58Å; I338-E340 PolarHBondContact O-N 2.85Å; I338-I341 HydrophobicContact CG1-CB 4.49Å; I338-I341 HydrophobicContact CG1-CD1 4.36Å; I338-I341 HydrophobicContact CG1-CG1 4.05Å; I338-I341 WeakPolarHBondContact O-CB 3.15Å; I338-I341 PolarHBondContact O-N 2.82Å; I338-Y602 HydrophobicContact CD1-CD1 3.8Å; I338-Y602 HydrophobicContact CD1-CE1 3.39Å; I338-Y602 HydrophobicContact CG1-CE1 4.43Å
339	G	79.2	Confident	90.8	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	17%	0.169	C	C	.	.	H	α-helix	trans	-44.2	-43.5	-172.7	0	0	0	0	0	115.9	I341 C342 R343 N365 G366	G339-I341 PolarHBondContact O-N 2.7Å; G339-C342 WeakPolarHBondContact O-CB 3.34Å; G339-C342 PolarHBondContact O-N 3.47Å; G339-C342 VanDerWaalsContact O-N 3.16Å; G339-R343 PolarHBondContact O-N 3.37Å; G339-N365 PolarHBondContact N-O 2.69Å; G339-G366 WeakPolarHBondContact CA-O 3.4Å
340	E	79.9	Confident	90.7	Very high	22 Å²	22	31 Å²	31	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-31.5	-180	-70.3	-57.4	131.3	0	0	113.9	I338 C342 R343 Y344 R368 Y602	I338-E340 PolarHBondContact O-N 2.85Å; E340-C342 VanDerWaalsContact C-N 3.26Å; E340-C342 PolarHBondContact O-N 2.9Å; E340-R343 PolarHBondContact O-N 2.81Å; E340-R343 IonicContact OE2-CZ 2.98Å; E340-R343 VanDerWaalsContact OE2-CZ 3.24Å; E340-R343 IonicContact OE2-NE 2.63Å; E340-R343 PolarHBondContact OE2-NE 3.06Å; E340-R343 IonicContact OE2-NH2 3.78Å; E340-R343 PolarHBondContact OE2-NH2 2.84Å; E340-Y344 HydrophobicContact CB-CE2 4.16Å; E340-Y344 WeakPolarHBondContact O-CD2 3.43Å; E340-Y344 PolarHBondContact O-N 2.87Å; E340-R368 IonicContact OE1-CZ 3.03Å; E340-R368 IonicContact OE1-NE 2.81Å; E340-R368 IonicContact OE1-NH2 3.72Å; E340-R368 PolarHBondContact OE1-NH2 2.87Å; E340-Y602 HydrophobicContact CB-CD1 4.36Å; E340-Y602 HydrophobicContact CB-CE1 3.69Å; E340-Y602 HydrophobicContact CG-CE1 3.98Å
341	I	85.8	Confident	90.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-45.9	172.1	-79.2	-173.6	0	0	0	109.7	T289 M290 F318 F323 I338 G339 R343 Y344 L345	T289-I341 WeakPolarHBondContact OG1-CD1 3.45Å; M290-I341 HydrophobicContact CE-CD1 3.15Å; M290-I341 HydrophobicContact CE-CG1 4.07Å; M290-I341 HydrophobicContact SD-CD1 4.2Å; F318-I341 HydrophobicContact CD2-CD1 3.69Å; F318-I341 HydrophobicContact CD2-CG1 3.88Å; F318-I341 HydrophobicContact CE2-CB 4.22Å; F318-I341 HydrophobicContact CE2-CD1 3.89Å; F318-I341 HydrophobicContact CE2-CG1 3.73Å; F318-I341 HydrophobicContact CE2-CG2 3.76Å; F318-I341 HydrophobicContact CG-CD1 4.36Å; F318-I341 HydrophobicContact CG-CG1 4.35Å; F318-I341 HydrophobicContact CZ-CB 4.42Å; F318-I341 HydrophobicContact CZ-CG1 4.08Å; F318-I341 HydrophobicContact CZ-CG2 4.18Å; F323-I341 HydrophobicContact CE2-CG2 4.14Å; I338-I341 HydrophobicContact CG1-CB 4.49Å; I338-I341 HydrophobicContact CG1-CD1 4.36Å; I338-I341 HydrophobicContact CG1-CG1 4.05Å; I338-I341 WeakPolarHBondContact O-CB 3.15Å; I338-I341 PolarHBondContact O-N 2.82Å; G339-I341 PolarHBondContact O-N 2.7Å; I341-R343 VanDerWaalsContact C-N 3.26Å; I341-R343 PolarHBondContact O-N 2.7Å; I341-Y344 PolarHBondContact O-N 2.81Å; I341-L345 HydrophobicContact CG2-CD1 3.66Å; I341-L345 HydrophobicContact CG2-CG 4.15Å; I341-L345 VanDerWaalsContact O-CG 3.25Å; I341-L345 WeakPolarHBondContact O-CG 3.39Å; I341-L345 PolarHBondContact O-N 3.45Å
342	C	89.1	Confident	90.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-36.4	-178.7	-62.2	0	0	0	0	111.5	Y337 G339 E340 L346 L367 I371 F375	Y337-C342 WeakPolarHBondContact CD2-SG 3.35Å; G339-C342 WeakPolarHBondContact O-CB 3.34Å; G339-C342 PolarHBondContact O-N 3.47Å; G339-C342 VanDerWaalsContact O-N 3.16Å; E340-C342 VanDerWaalsContact C-N 3.26Å; E340-C342 PolarHBondContact O-N 2.9Å; C342-L346 VanDerWaalsContact O-CB 3.27Å; C342-L346 WeakPolarHBondContact O-CB 3.38Å; C342-L346 PolarHBondContact O-N 3.28Å; C342-L367 HydrophobicContact CB-CD1 3.46Å; C342-L367 VanDerWaalsContact CB-CD1 3.46Å; C342-I371 HydrophobicContact CB-CD1 4.4Å; C342-F375 HydrophobicContact CB-CD2 3.74Å; C342-F375 HydrophobicContact CB-CE2 3.72Å; C342-F375 HydrophobicContact CB-CG 4.3Å; C342-F375 HydrophobicContact CB-CZ 4.25Å; C342-F375 WeakPolarHBondContact O-CD2 3.21Å
343	R	84.3	Confident	89.9	Confident	9 Å²	9	34 Å²	34	3%	0.034	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-47.4	172.8	-171	-174.1	59.5	78	10	111.8	G339 E340 I341 L345 L346 S347 I371 L539 D541	G339-R343 PolarHBondContact O-N 3.37Å; E340-R343 PolarHBondContact O-N 2.81Å; E340-R343 IonicContact OE2-CZ 2.98Å; E340-R343 VanDerWaalsContact OE2-CZ 3.24Å; E340-R343 IonicContact OE2-NE 2.63Å; E340-R343 PolarHBondContact OE2-NE 3.06Å; E340-R343 IonicContact OE2-NH2 3.78Å; E340-R343 PolarHBondContact OE2-NH2 2.84Å; I341-R343 VanDerWaalsContact C-N 3.26Å; I341-R343 PolarHBondContact O-N 2.7Å; R343-L345 VanDerWaalsContact C-N 3.28Å; R343-L345 PolarHBondContact O-N 3.29Å; R343-L346 PolarHBondContact O-N 3.28Å; R343-S347 PolarHBondContact O-N 3.46Å; R343-S347 PolarHBondContact O-OG 2.81Å; R343-I371 HydrophobicContact CB-CD1 3.92Å; R343-L539 HydrophobicContact CG-CB 4.13Å; R343-L539 HydrophobicContact CG-CD2 4.31Å; R343-L539 PolarHBondContact NH1-O 2.84Å; R343-D541 IonicContact CZ-OD1 2.77Å; R343-D541 IonicContact NE-OD1 2.7Å; R343-D541 IonicContact NH1-OD1 2.67Å; R343-D541 IonicContact NH2-OD1 3.79Å; R343-D541 PolarHBondContact NH2-OD1 3.13Å; R343-D541 IonicContact NH2-OD2 3.85Å
344	Y	84	Confident	89.6	Confident	37 Å²	37	32.8 Å²	32.8	15%	0.145	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-36.7	178.3	-70.7	-48.8	0	0	0	113	F318 E340 I341 S347 Q348	F318-Y344 HydrophobicContact CD1-CD2 4.39Å; F318-Y344 AromaticContact CE1-CD2 3.71Å; F318-Y344 HydrophobicContact CE1-CD2 3.71Å; F318-Y344 HydrophobicContact CE1-CG 4.03Å; F318-Y344 HydrophobicContact CZ-CD2 4.39Å; E340-Y344 HydrophobicContact CB-CE2 4.16Å; E340-Y344 WeakPolarHBondContact O-CD2 3.43Å; E340-Y344 PolarHBondContact O-N 2.87Å; I341-Y344 PolarHBondContact O-N 2.81Å; Y344-S347 PolarHBondContact O-OG 2.58Å; Y344-Q348 WeakPolarHBondContact O-CG 3.38Å; Y344-Q348 PolarHBondContact O-N 2.84Å; Y344-Q348 PolarHBondContact O-NE2 3.25Å
345	L	92	Very high	89.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-45.1	174.7	-66.5	173.1	0	0	0	110.8	F318 F323 W324 I341 R343 S347 Q348 F375 F379	F318-L345 HydrophobicContact CZ-CD2 4.39Å; F323-L345 HydrophobicContact CB-CD2 3.46Å; F323-L345 VanDerWaalsContact CB-CD2 3.46Å; F323-L345 HydrophobicContact CD1-CD1 3.81Å; F323-L345 HydrophobicContact CD1-CD2 3.9Å; F323-L345 HydrophobicContact CD2-CD1 4.22Å; F323-L345 HydrophobicContact CD2-CD2 4.15Å; F323-L345 HydrophobicContact CE1-CD1 3.83Å; F323-L345 HydrophobicContact CE2-CD1 4.24Å; F323-L345 HydrophobicContact CG-CD1 4.03Å; F323-L345 HydrophobicContact CG-CD2 3.58Å; F323-L345 HydrophobicContact CG-CG 4.42Å; F323-L345 HydrophobicContact CZ-CD1 4.05Å; W324-L345 HydrophobicContact CH2-CD1 4.48Å; W324-L345 HydrophobicContact CZ2-CD1 3.85Å; I341-L345 HydrophobicContact CG2-CD1 3.66Å; I341-L345 HydrophobicContact CG2-CG 4.15Å; I341-L345 VanDerWaalsContact O-CG 3.25Å; I341-L345 WeakPolarHBondContact O-CG 3.39Å; I341-L345 PolarHBondContact O-N 3.45Å; R343-L345 VanDerWaalsContact C-N 3.28Å; R343-L345 PolarHBondContact O-N 3.29Å; L345-S347 PolarHBondContact O-N 3.14Å; L345-Q348 WeakPolarHBondContact O-CB 3.27Å; L345-Q348 PolarHBondContact O-N 2.78Å; L345-F375 HydrophobicContact CB-CE2 4.07Å; L345-F375 HydrophobicContact CD1-CE2 4.08Å; L345-F375 HydrophobicContact CD1-CZ 4.3Å; L345-F379 HydrophobicContact CB-CE2 4.14Å; L345-F379 HydrophobicContact CB-CZ 4.07Å; L345-F379 WeakPolarHBondContact O-CZ 3.34Å
346	L	90.2	Very high	89.3	Confident	23 Å²	23	46.4 Å²	46.4	12%	0.12	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-24.9	179	-169	62.6	0	0	0	113	C342 R343 I371 A374 R378 F379 L539	C342-L346 VanDerWaalsContact O-CB 3.27Å; C342-L346 WeakPolarHBondContact O-CB 3.38Å; C342-L346 PolarHBondContact O-N 3.28Å; R343-L346 PolarHBondContact O-N 3.28Å; L346-I371 HydrophobicContact CD2-CB 3.9Å; L346-I371 HydrophobicContact CD2-CG2 4.36Å; L346-A374 HydrophobicContact CD1-CB 4.47Å; L346-A374 HydrophobicContact CD2-CB 4.02Å; L346-R378 HydrophobicContact CD1-CB 4.24Å; L346-R378 PolarHBondContact O-NH1 3.2Å; L346-F379 HydrophobicContact CD1-CE2 4.36Å; L346-L539 HydrophobicContact CB-CD1 4.05Å; L346-L539 HydrophobicContact CD2-CD1 3.99Å; L346-L539 HydrophobicContact CG-CD1 3.81Å
347	S	87.1	Confident	89.3	Confident	55 Å²	55	47.4 Å²	47.4	39%	0.385	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-11.6	175.6	70	0	0	0	0	114.1	R343 Y344 L345	R343-S347 PolarHBondContact O-N 3.46Å; R343-S347 PolarHBondContact O-OG 2.81Å; Y344-S347 PolarHBondContact O-OG 2.58Å; L345-S347 PolarHBondContact O-N 3.14Å
348	Q	90.3	Very high	89.4	Confident	62 Å²	62	49.5 Å²	49.5	29%	0.29	27%	0.271	S	S	.	.	S	Bend	trans	-65.1	150.4	173.6	-65.3	-52.8	-75.7	0	0	110.9	A320 Y344 L345 R378	A320-Q348 HydrophobicContact CB-CG 3.89Å; Y344-Q348 WeakPolarHBondContact O-CG 3.38Å; Y344-Q348 PolarHBondContact O-N 2.84Å; Y344-Q348 PolarHBondContact O-NE2 3.25Å; L345-Q348 WeakPolarHBondContact O-CB 3.27Å; L345-Q348 PolarHBondContact O-N 2.78Å; Q348-R378 PolarHBondContact O-NH1 3.13Å; Q348-R378 PolarHBondContact O-NH2 3.5Å
349	P	90.9	Very high	90	Very high	99 Å²	99	49 Å²	49	64%	0.643	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-54.3	142.4	168.9	-23.4	33.5	0	0	0	111.3	S351 R378	P349-S351 PolarHBondContact O-N 3.46Å; P349-R378 VanDerWaalsContact C-NH2 3.25Å; P349-R378 PolarHBondContact O-NH2 3Å
350	P	93	Very high	90.8	Very high	114 Å²	114	51.5 Å²	51.5	74%	0.74	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-50.7	136	171.9	-27.6	36	0	0	0	111.4	R378	P350-R378 VanDerWaalsContact CA-NH2 3.31Å
351	S	92.3	Very high	91.6	Very high	55 Å²	55	50.4 Å²	50.4	39%	0.385	27%	0.271	S	S	.	.			trans	-138.1	155	-180	83	0	0	0	0	111.1	P349 M353 D354	P349-S351 PolarHBondContact O-N 3.46Å; S351-M353 PolarHBondContact O-N 3.24Å; S351-M353 VanDerWaalsContact O-N 3.11Å; S351-M353 PolarHBondContact OG-N 3.37Å; S351-D354 PolarHBondContact N-OD1 3.09Å; S351-D354 PolarHBondContact N-OD2 3.17Å; S351-D354 WeakPolarHBondContact O-CB 3.38Å; S351-D354 PolarHBondContact O-N 2.92Å; S351-D354 PolarHBondContact OG-N 3.29Å; S351-D354 PolarHBondContact OG-OD1 2.92Å
352	D	90.2	Very high	92.2	Very high	118 Å²	118	50.3 Å²	50.3	63%	0.631	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-54	-28.5	169.8	-87.3	26.3	0	0	0	113.1	D354 K356	D352-D354 PolarHBondContact O-N 3.38Å; D352-K356 HydrophobicContact CB-CD 4.23Å; D352-K356 WeakPolarHBondContact O-CD 3.31Å; D352-K356 VanDerWaalsContact O-CG 3.23Å; D352-K356 WeakPolarHBondContact O-CG 3.37Å; D352-K356 IonicContact OD2-NZ 2.79Å; D352-K356 PolarHBondContact OD2-NZ 3.47Å
353	M	91.8	Very high	92.5	Very high	49 Å²	49	50.3 Å²	50.3	24%	0.241	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-74.2	-13.3	-179.8	-63.3	-53.8	-54.2	0	0	113.1	W324 S328 S351 R355 K356	W324-M353 HydrophobicContact CB-CB 4Å; S328-M353 VanDerWaalsContact CB-CE 3.43Å; S351-M353 PolarHBondContact O-N 3.24Å; S351-M353 VanDerWaalsContact O-N 3.11Å; S351-M353 PolarHBondContact OG-N 3.37Å; M353-R355 PolarHBondContact O-N 2.79Å; M353-K356 HydrophobicContact CE-CB 4.26Å; M353-K356 PolarHBondContact O-N 3.08Å; M353-K356 HydrophobicContact SD-CB 4.27Å
354	D	93.2	Very high	92.8	Very high	14 Å²	14	49.9 Å²	49.9	8%	0.075	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-58.5	-24.7	-178.7	-68.5	10.1	0	0	0	111.8	S351 D352 H357 R378 F379	S351-D354 PolarHBondContact N-OD1 3.09Å; S351-D354 PolarHBondContact N-OD2 3.17Å; S351-D354 WeakPolarHBondContact O-CB 3.38Å; S351-D354 PolarHBondContact O-N 2.92Å; S351-D354 PolarHBondContact OG-N 3.29Å; S351-D354 PolarHBondContact OG-OD1 2.92Å; D352-D354 PolarHBondContact O-N 3.38Å; D354-H357 PolarHBondContact O-CD2 3.45Å; D354-H357 PolarHBondContact O-NE2 2.81Å; D354-H357 VanDerWaalsContact O-NE2 3.09Å; D354-R378 IonicContact OD1-NH2 2.69Å; D354-R378 IonicContact OD2-CZ 3.82Å; D354-R378 VanDerWaalsContact OD2-CZ 3.32Å; D354-R378 IonicContact OD2-NE 3.94Å; D354-R378 PolarHBondContact OD2-NE 3.25Å; D354-R378 IonicContact OD2-NH2 3.28Å; D354-R378 PolarHBondContact OD2-NH2 3.42Å; D354-F379 HydrophobicContact CB-CD1 3.87Å; D354-F379 HydrophobicContact CB-CE1 4Å; D354-F379 VanDerWaalsContact O-CA 3.29Å; D354-F379 WeakPolarHBondContact O-CA 3.06Å
355	R	94.7	Very high	93	Very high	161 Å²	161	51.4 Å²	51.4	61%	0.608	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	-3.6	176.6	-67.4	179.5	171.3	-124.1	13.6	114.7	M353 H357 Q377 R378	M353-R355 PolarHBondContact O-N 2.79Å; R355-H357 PolarHBondContact O-N 2.85Å; R355-Q377 PolarHBondContact NH2-O 3.37Å; R355-R378 PolarHBondContact NE-O 2.91Å
356	K	94.2	Very high	92.6	Very high	124 Å²	124	53.4 Å²	53.4	54%	0.539	30%	0.3	S	S	.	.	S	Bend	trans	-86.5	39.2	175.8	-68.3	175.6	-177.4	171.9	0	112.1	S328 D352 M353	S328-K356 WeakPolarHBondContact CB-O 3.23Å; S328-K356 PolarHBondContact OG-O 3.16Å; D352-K356 HydrophobicContact CB-CD 4.23Å; D352-K356 WeakPolarHBondContact O-CD 3.31Å; D352-K356 VanDerWaalsContact O-CG 3.23Å; D352-K356 WeakPolarHBondContact O-CG 3.37Å; D352-K356 IonicContact OD2-NZ 2.79Å; D352-K356 PolarHBondContact OD2-NZ 3.47Å; M353-K356 HydrophobicContact CE-CB 4.26Å; M353-K356 PolarHBondContact O-N 3.08Å; M353-K356 HydrophobicContact SD-CB 4.27Å
357	H	95.1	Very high	92.5	Very high	24 Å²	24	52.5 Å²	52.5	11%	0.111	30%	0.295	C	S	.	.	S	Bend	trans	-122.8	154.8	177.7	62.6	57.3	0	0	0	111.2	W324 C327 D354 R355 I359 F379 I381	W324-H357 AromaticContact CD2-CD2 3.72Å; W324-H357 HydrophobicContact CE3-CB 4.28Å; W324-H357 AromaticContact CE3-CD2 3.07Å; W324-H357 AromaticContact CE3-CG 3.71Å; W324-H357 AromaticContact CE3-NE2 3.53Å; W324-H357 AromaticContact CH2-NE2 3.96Å; W324-H357 AromaticContact CZ3-CD2 3.44Å; W324-H357 VanDerWaalsContact CZ3-CD2 3.44Å; W324-H357 WeakPolarHBondContact CZ3-CD2 3.35Å; W324-H357 AromaticContact CZ3-CE1 3.95Å; W324-H357 AromaticContact CZ3-NE2 3.36Å; W324-H357 WeakPolarHBondContact CZ3-NE2 3.19Å; C327-H357 HydrophobicContact CB-CB 4.36Å; D354-H357 PolarHBondContact O-CD2 3.45Å; D354-H357 PolarHBondContact O-NE2 2.81Å; D354-H357 VanDerWaalsContact O-NE2 3.09Å; R355-H357 PolarHBondContact O-N 2.85Å; H357-I359 VanDerWaalsContact C-N 3.3Å; H357-I359 HydrophobicContact CB-CG1 4.47Å; H357-I359 PolarHBondContact ND1-N 2.99Å; H357-I359 PolarHBondContact O-N 3.22Å; H357-F379 PolarHBondContact CE1-O 3.25Å; H357-F379 VanDerWaalsContact CE1-O 3.26Å; H357-F379 PolarHBondContact NE2-O 2.82Å; H357-F379 VanDerWaalsContact NE2-O 3.16Å; H357-I381 VanDerWaalsContact CE1-CD1 3.48Å; H357-I381 WeakPolarHBondContact CE1-CD1 3.18Å
358	G	95.1	Very high	92.2	Very high	44 Å²	44	51.9 Å²	51.9	45%	0.454	28%	0.284	S	S	.	.			trans	-81.5	0.8	179.6	0	0	0	0	0	115.6	C332 R360	C332-G358 CarbonylContact O-C 3.58Å; C332-G358 VanDerWaalsContact O-C 3.29Å; G358-R360 PolarHBondContact O-N 2.81Å; G358-R360 VanDerWaalsContact O-N 3.11Å
359	I	97.6	Very high	92	Very high	9 Å²	9	52 Å²	52	5%	0.046	29%	0.291	C	S	.	.			trans	-65.2	113	-171.2	-54.2	-65.7	0	0	0	111.7	W324 C327 C332 T333 A335 H357 M361 M362 I381	W324-I359 HydrophobicContact CZ3-CG1 4.25Å; C327-I359 HydrophobicContact CB-CD1 4.04Å; C327-I359 HydrophobicContact CB-CG1 4.03Å; C332-I359 HydrophobicContact CB-CD1 3.74Å; C332-I359 WeakPolarHBondContact O-CD1 3.45Å; C332-I359 PolarHBondContact O-N 2.85Å; T333-I359 CarbonylContact O-C 3.48Å; T333-I359 WeakPolarHBondContact O-CA 3.44Å; A335-I359 HydrophobicContact CB-CD1 4.11Å; H357-I359 VanDerWaalsContact C-N 3.3Å; H357-I359 HydrophobicContact CB-CG1 4.47Å; H357-I359 PolarHBondContact ND1-N 2.99Å; H357-I359 PolarHBondContact O-N 3.22Å; I359-M361 WeakPolarHBondContact CG2-O 3.39Å; I359-M362 HydrophobicContact CG2-CG 3.8Å; I359-I381 HydrophobicContact CB-CD1 3.98Å; I359-I381 HydrophobicContact CG2-CD1 3.76Å
360	R	96.2	Very high	91.8	Very high	60 Å²	60	50.1 Å²	50.1	23%	0.226	27%	0.273	C	S	.	.			trans	-91.7	-26.1	173.8	66.2	174.2	-167.4	84.6	-3.7	112.7	G279 D284 T333 G358 Q383	G279-R360 PolarHBondContact O-NH2 3.4Å; D284-R360 IonicContact OD1-CZ 3.78Å; D284-R360 IonicContact OD1-NE 3.02Å; D284-R360 PolarHBondContact OD1-NE 3.26Å; D284-R360 IonicContact OD1-NH2 3.69Å; D284-R360 IonicContact OD2-CZ 3.46Å; D284-R360 IonicContact OD2-NE 3.49Å; D284-R360 PolarHBondContact OD2-NE 3.18Å; D284-R360 IonicContact OD2-NH2 2.64Å; D284-R360 PolarHBondContact OD2-NH2 3.4Å; T333-R360 VanDerWaalsContact O-CG 3.26Å; T333-R360 WeakPolarHBondContact O-CG 3.42Å; T333-R360 PolarHBondContact O-N 2.95Å; G358-R360 PolarHBondContact O-N 2.81Å; G358-R360 VanDerWaalsContact O-N 3.11Å; R360-Q383 PolarHBondContact O-N 2.83Å
361	M	96.9	Very high	91.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	138.9	-173.4	178.6	-159.8	-71	0	0	110.7	F278 I280 T333 V334 A335 I359 Q383	F278-M361 HydrophobicContact CB-CE 3.99Å; F278-M361 HydrophobicContact CB-SD 3.85Å; F278-M361 WeakPolarHBondContact O-CE 3.48Å; I280-M361 HydrophobicContact CG1-SD 4.48Å; T333-M361 PolarHBondContact O-N 2.92Å; V334-M361 VanDerWaalsContact CA-O 3.28Å; V334-M361 WeakPolarHBondContact CA-O 3.49Å; V334-M361 HydrophobicContact CG1-CB 4.39Å; V334-M361 HydrophobicContact CG1-CG 4.47Å; V334-M361 HydrophobicContact CG1-SD 4.16Å; V334-M361 HydrophobicContact CG2-CB 4.39Å; A335-M361 PolarHBondContact N-O 2.81Å; A335-M361 VanDerWaalsContact N-O 3.13Å; I359-M361 WeakPolarHBondContact CG2-O 3.39Å; M361-Q383 CarbonylContact C-O 3.55Å; M361-Q383 VanDerWaalsContact CA-O 3.23Å; M361-Q383 WeakPolarHBondContact CA-O 3.4Å; M361-Q383 HydrophobicContact CB-CB 4.22Å; M361-Q383 HydrophobicContact CG-CB 4.19Å; M361-Q383 HydrophobicContact CG-CG 4.27Å
362	M	97.1	Very high	91.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.4	161.2	-61.3	-179.2	59.1	0	0	109.4	F323 W324 A335 Y337 I359 F375 I381 Q383 I384 C385	F323-M362 HydrophobicContact CZ-CE 4.16Å; W324-M362 HydrophobicContact CH2-SD 4.05Å; A335-M362 HydrophobicContact CB-CE 4.5Å; A335-M362 HydrophobicContact CB-CG 4.21Å; A335-M362 VanDerWaalsContact O-CA 3.23Å; A335-M362 WeakPolarHBondContact O-CA 3.49Å; Y337-M362 HydrophobicContact CD1-CB 3.83Å; Y337-M362 HydrophobicContact CD1-CE 4.31Å; Y337-M362 HydrophobicContact CE1-CB 4.26Å; Y337-M362 HydrophobicContact CG-CE 4.27Å; I359-M362 HydrophobicContact CG2-CG 3.8Å; M362-F375 HydrophobicContact CE-CE1 4.25Å; M362-F375 HydrophobicContact CE-CZ 3.84Å; M362-F375 HydrophobicContact SD-CE1 3.65Å; M362-F375 HydrophobicContact SD-CZ 3.62Å; M362-I381 HydrophobicContact CB-CG2 4.39Å; M362-I381 HydrophobicContact CG-CD1 4.41Å; M362-I381 HydrophobicContact CG-CG2 3.99Å; M362-I381 HydrophobicContact SD-CD1 4.09Å; M362-I381 HydrophobicContact SD-CG1 3.97Å; M362-I381 HydrophobicContact SD-CG2 4.44Å; M362-Q383 PolarHBondContact N-O 2.89Å; M362-I384 HydrophobicContact CB-CD1 3.88Å; M362-I384 HydrophobicContact CG-CD1 4.47Å; M362-I384 WeakPolarHBondContact O-CA 3.49Å; M362-C385 PolarHBondContact O-N 3.36Å
363	Y	95.8	Very high	91.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.5	176.3	71.4	-84.7	0	0	0	111.2	V274 F278 I280 I286 I300 V334 A335 L336 Y337 C385 L387	V274-Y363 HydrophobicContact CG1-CD2 3.75Å; V274-Y363 HydrophobicContact CG1-CE2 3.61Å; V274-Y363 HydrophobicContact CG1-CG 4.49Å; F278-Y363 HydrophobicContact CD2-CD2 4.13Å; F278-Y363 AromaticContact CD2-CG 3.96Å; F278-Y363 HydrophobicContact CD2-CG 3.96Å; F278-Y363 HydrophobicContact CE2-CD2 4.05Å; F278-Y363 HydrophobicContact CE2-CG 4.19Å; I280-Y363 HydrophobicContact CD1-CD1 4.42Å; I280-Y363 HydrophobicContact CD1-CE1 3.98Å; I286-Y363 HydrophobicContact CG2-CE1 4.02Å; I300-Y363 HydrophobicContact CG2-CD2 4.09Å; I300-Y363 HydrophobicContact CG2-CE2 3.53Å; I300-Y363 PolarHBondContact O-OH 2.95Å; V334-Y363 HydrophobicContact CG1-CD1 3.44Å; V334-Y363 VanDerWaalsContact CG1-CD1 3.44Å; V334-Y363 HydrophobicContact CG1-CE1 3.46Å; V334-Y363 VanDerWaalsContact CG1-CE1 3.46Å; A335-Y363 PolarHBondContact O-N 2.8Å; L336-Y363 CarbonylContact C-O 3.29Å; L336-Y363 VanDerWaalsContact CA-O 3.31Å; L336-Y363 WeakPolarHBondContact CA-O 3.49Å; L336-Y363 HydrophobicContact CD1-CD2 3.8Å; L336-Y363 HydrophobicContact CD1-CE2 3.57Å; L336-Y363 WeakPolarHBondContact CD1-O 3.49Å; Y337-Y363 VanDerWaalsContact CD1-O 3.25Å; Y337-Y363 WeakPolarHBondContact CD1-O 3.46Å; Y337-Y363 PolarHBondContact N-O 2.76Å; Y363-C385 VanDerWaalsContact CA-O 3.25Å; Y363-C385 WeakPolarHBondContact CA-O 3.31Å; Y363-L387 HydrophobicContact CD2-CD2 4.44Å
364	G	91.2	Very high	91.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-146	-171	0	0	0	0	0	112.5	Y337 C385 E386 L387	Y337-G364 VanDerWaalsContact CE1-N 3.35Å; Y337-G364 WeakPolarHBondContact O-CA 3.43Å; G364-C385 PolarHBondContact N-O 2.95Å; G364-E386 CarbonylContact O-C 3.53Å; G364-E386 WeakPolarHBondContact O-CA 3.4Å; G364-L387 PolarHBondContact O-N 2.84Å
365	N	87.8	Confident	91.6	Very high	68 Å²	68	41.6 Å²	41.6	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.4	-179.1	60.5	-82.8	0	0	0	111.8	G339 L387	G339-N365 PolarHBondContact N-O 2.69Å; N365-L387 WeakPolarHBondContact CB-O 3.29Å
366	G	84.3	Confident	91.6	Very high	42 Å²	42	36 Å²	36	43%	0.433	20%	0.204	S	C	.	.			trans	81.1	28.3	165.6	0	0	0	0	0	114.9	G339 R368 E386	G339-G366 WeakPolarHBondContact CA-O 3.4Å; G366-R368 PolarHBondContact O-N 3.02Å; G366-E386 PolarHBondContact N-OE1 3.27Å; G366-E386 PolarHBondContact N-OE2 2.81Å
367	L	87.5	Confident	91.6	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	21%	0.208	C	C	.	.			trans	-66.2	114	170.2	-176.4	54.2	0	0	0	109.4	Y337 C342 I371 W372 I384 E386	Y337-L367 HydrophobicContact CE2-CB 3.8Å; C342-L367 HydrophobicContact CB-CD1 3.46Å; C342-L367 VanDerWaalsContact CB-CD1 3.46Å; L367-I371 HydrophobicContact CD1-CD1 3.93Å; L367-I371 HydrophobicContact CD1-CG1 3.82Å; L367-W372 HydrophobicContact CB-CD2 4.41Å; L367-W372 HydrophobicContact CB-CE3 3.91Å; L367-W372 HydrophobicContact CB-CZ3 4.24Å; L367-W372 HydrophobicContact CD2-CB 3.97Å; L367-W372 HydrophobicContact CD2-CD2 3.48Å; L367-W372 VanDerWaalsContact CD2-CD2 3.48Å; L367-W372 HydrophobicContact CD2-CE3 3.87Å; L367-W372 HydrophobicContact CD2-CG 3.51Å; L367-W372 HydrophobicContact CG-CB 4.02Å; L367-W372 HydrophobicContact CG-CD2 3.91Å; L367-W372 HydrophobicContact CG-CE3 3.84Å; L367-W372 HydrophobicContact CG-CG 4Å; L367-I384 HydrophobicContact CD2-CG2 3.85Å; L367-E386 WeakPolarHBondContact CB-OE1 3.32Å; L367-E386 PolarHBondContact N-OE1 2.9Å
368	R	82.1	Confident	91.6	Very high	42 Å²	42	37.5 Å²	37.5	16%	0.158	21%	0.211	C	C	.	.			trans	-62.8	132.7	-177.5	-57.9	-176.2	-169.9	-140	1.5	110.1	E340 G366 Q370 I371 W372 E530 Q534	E340-R368 IonicContact OE1-CZ 3.03Å; E340-R368 IonicContact OE1-NE 2.81Å; E340-R368 IonicContact OE1-NH2 3.72Å; E340-R368 PolarHBondContact OE1-NH2 2.87Å; G366-R368 PolarHBondContact O-N 3.02Å; R368-Q370 PolarHBondContact O-N 2.81Å; R368-Q370 VanDerWaalsContact O-N 3.12Å; R368-I371 HydrophobicContact CB-CG1 4.21Å; R368-I371 WeakPolarHBondContact O-CG1 3.43Å; R368-I371 PolarHBondContact O-N 3Å; R368-I371 VanDerWaalsContact O-N 3.12Å; R368-W372 PolarHBondContact O-N 3.46Å; R368-W372 VanDerWaalsContact O-N 3.16Å; R368-E530 IonicContact NH1-OE2 3.73Å; R368-E530 IonicContact NH2-OE2 3.5Å; R368-Q534 VanDerWaalsContact CD-OE1 3.23Å; R368-Q534 VanDerWaalsContact NH1-CD 3.27Å
369	P	85.8	Confident	91.7	Very high	66 Å²	66	35.5 Å²	35.5	43%	0.429	19%	0.189	S	C	.	.	H	α-helix	trans	-53.9	-35.6	179.5	-20.3	25.2	0	0	0	112.9	I371 W372	P369-I371 PolarHBondContact O-N 2.73Å; P369-W372 PolarHBondContact O-N 3.02Å
370	Q	85.6	Confident	91.6	Very high	58 Å²	58	36.6 Å²	36.6	27%	0.271	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-23.5	-176.2	-62.2	79.2	8.8	0	0	113.8	R368 L532 R535	R368-Q370 PolarHBondContact O-N 2.81Å; R368-Q370 VanDerWaalsContact O-N 3.12Å; Q370-L532 HydrophobicContact CG-CD2 4.16Å; Q370-R535 HydrophobicContact CB-CB 4.34Å
371	I	86.3	Confident	91.5	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-113.6	-11.2	-179.4	69.9	172.1	0	0	0	113.1	C342 R343 L346 L367 R368 P369 E373 A374 F375 L539	C342-I371 HydrophobicContact CB-CD1 4.4Å; R343-I371 HydrophobicContact CB-CD1 3.92Å; L346-I371 HydrophobicContact CD2-CB 3.9Å; L346-I371 HydrophobicContact CD2-CG2 4.36Å; L367-I371 HydrophobicContact CD1-CD1 3.93Å; L367-I371 HydrophobicContact CD1-CG1 3.82Å; R368-I371 HydrophobicContact CB-CG1 4.21Å; R368-I371 WeakPolarHBondContact O-CG1 3.43Å; R368-I371 PolarHBondContact O-N 3Å; R368-I371 VanDerWaalsContact O-N 3.12Å; P369-I371 PolarHBondContact O-N 2.73Å; I371-E373 PolarHBondContact O-N 3.31Å; I371-A374 PolarHBondContact O-N 3.16Å; I371-F375 VanDerWaalsContact O-CB 3.28Å; I371-F375 WeakPolarHBondContact O-CB 3.46Å; I371-F375 PolarHBondContact O-N 2.86Å; I371-L539 HydrophobicContact CG2-CD2 3.76Å
372	W	91	Very high	91.3	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.019	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-53.1	-171.5	-170.2	-43	0	0	0	112	L367 R368 P369 A374 F375 V376 I384 E386 V406 G407	L367-W372 HydrophobicContact CB-CD2 4.41Å; L367-W372 HydrophobicContact CB-CE3 3.91Å; L367-W372 HydrophobicContact CB-CZ3 4.24Å; L367-W372 HydrophobicContact CD2-CB 3.97Å; L367-W372 HydrophobicContact CD2-CD2 3.48Å; L367-W372 VanDerWaalsContact CD2-CD2 3.48Å; L367-W372 HydrophobicContact CD2-CE3 3.87Å; L367-W372 HydrophobicContact CD2-CG 3.51Å; L367-W372 HydrophobicContact CG-CB 4.02Å; L367-W372 HydrophobicContact CG-CD2 3.91Å; L367-W372 HydrophobicContact CG-CE3 3.84Å; L367-W372 HydrophobicContact CG-CG 4Å; R368-W372 PolarHBondContact O-N 3.46Å; R368-W372 VanDerWaalsContact O-N 3.16Å; P369-W372 PolarHBondContact O-N 3.02Å; W372-A374 PolarHBondContact O-N 2.88Å; W372-F375 WeakPolarHBondContact O-CB 3.27Å; W372-F375 PolarHBondContact O-N 3.12Å; W372-V376 PolarHBondContact O-N 2.87Å; W372-I384 HydrophobicContact CH2-CG2 4.03Å; W372-I384 HydrophobicContact CZ2-CB 3.66Å; W372-I384 HydrophobicContact CZ2-CG2 3.47Å; W372-I384 VanDerWaalsContact CZ2-CG2 3.47Å; W372-E386 HydrophobicContact CH2-CG 3.82Å; W372-E386 HydrophobicContact CZ3-CG 4.08Å; W372-V406 HydrophobicContact CB-CG1 3.96Å; W372-V406 HydrophobicContact CD2-CB 4.4Å; W372-V406 HydrophobicContact CD2-CG1 4.18Å; W372-V406 HydrophobicContact CD2-CG2 4.34Å; W372-V406 HydrophobicContact CE3-CG1 4.35Å; W372-V406 HydrophobicContact CG-CG1 4.04Å; W372-V406 HydrophobicContact CG-CG2 4.21Å; W372-G407 VanDerWaalsContact CE3-N 3.25Å
373	E	93.4	Very high	91.2	Very high	119 Å²	119	44.4 Å²	44.4	56%	0.556	24%	0.239	S	C	*	.	H	α-helix	trans	-64.4	-43.3	-176.3	-64.9	-175.3	159.2	0	0	111.4	I371 F375 V376 Q377 V406	I371-E373 PolarHBondContact O-N 3.31Å; E373-F375 VanDerWaalsContact C-N 3.3Å; E373-F375 PolarHBondContact O-N 2.84Å; E373-V376 PolarHBondContact O-N 3.46Å; E373-Q377 VanDerWaalsContact O-CB 3.3Å; E373-Q377 WeakPolarHBondContact O-CB 3.32Å; E373-Q377 VanDerWaalsContact O-CG 3.23Å; E373-Q377 WeakPolarHBondContact O-CG 3.23Å; E373-Q377 PolarHBondContact O-N 2.83Å; E373-V406 HydrophobicContact CG-CG2 4.29Å
374	A	91.9	Very high	91.2	Very high	43 Å²	43	44.4 Å²	44.4	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-40	175.2	0	0	0	0	0	111.8	L346 I371 W372 R378	L346-A374 HydrophobicContact CD1-CB 4.47Å; L346-A374 HydrophobicContact CD2-CB 4.02Å; I371-A374 PolarHBondContact O-N 3.16Å; W372-A374 PolarHBondContact O-N 2.88Å; A374-R378 VanDerWaalsContact O-CB 3.29Å; A374-R378 WeakPolarHBondContact O-CB 3.43Å; A374-R378 PolarHBondContact O-N 3.46Å
375	F	93.7	Very high	91.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-50.1	176.3	-176.8	-89.8	0	0	0	111.8	W324 C342 L345 M362 I371 W372 E373 Q377 R378 F379 I381 I384	W324-F375 HydrophobicContact CH2-CZ 4.25Å; W324-F375 HydrophobicContact CZ2-CE2 4.5Å; W324-F375 HydrophobicContact CZ2-CZ 4.25Å; C342-F375 HydrophobicContact CB-CD2 3.74Å; C342-F375 HydrophobicContact CB-CE2 3.72Å; C342-F375 HydrophobicContact CB-CG 4.3Å; C342-F375 HydrophobicContact CB-CZ 4.25Å; C342-F375 WeakPolarHBondContact O-CD2 3.21Å; L345-F375 HydrophobicContact CB-CE2 4.07Å; L345-F375 HydrophobicContact CD1-CE2 4.08Å; L345-F375 HydrophobicContact CD1-CZ 4.3Å; M362-F375 HydrophobicContact CE-CE1 4.25Å; M362-F375 HydrophobicContact CE-CZ 3.84Å; M362-F375 HydrophobicContact SD-CE1 3.65Å; M362-F375 HydrophobicContact SD-CZ 3.62Å; I371-F375 VanDerWaalsContact O-CB 3.28Å; I371-F375 WeakPolarHBondContact O-CB 3.46Å; I371-F375 PolarHBondContact O-N 2.86Å; W372-F375 WeakPolarHBondContact O-CB 3.27Å; W372-F375 PolarHBondContact O-N 3.12Å; E373-F375 VanDerWaalsContact C-N 3.3Å; E373-F375 PolarHBondContact O-N 2.84Å; F375-Q377 VanDerWaalsContact C-N 3.35Å; F375-Q377 PolarHBondContact O-N 2.84Å; F375-R378 PolarHBondContact O-N 2.93Å; F375-F379 HydrophobicContact CD1-CD2 4.3Å; F375-F379 AromaticContact CD2-CD2 3.54Å; F375-F379 HydrophobicContact CD2-CD2 3.54Å; F375-F379 AromaticContact CD2-CE2 3.51Å; F375-F379 HydrophobicContact CD2-CE2 3.51Å; F375-F379 HydrophobicContact CE1-CD2 4.22Å; F375-F379 AromaticContact CE2-CD2 3.44Å; F375-F379 HydrophobicContact CE2-CD2 3.44Å; F375-F379 VanDerWaalsContact CE2-CD2 3.44Å; F375-F379 AromaticContact CE2-CE2 3.47Å; F375-F379 HydrophobicContact CE2-CE2 3.47Å; F375-F379 VanDerWaalsContact CE2-CE2 3.47Å; F375-F379 AromaticContact CG-CD2 3.97Å; F375-F379 HydrophobicContact CG-CD2 3.97Å; F375-F379 HydrophobicContact CG-CE2 4.32Å; F375-F379 AromaticContact CZ-CD2 3.79Å; F375-F379 HydrophobicContact CZ-CD2 3.79Å; F375-F379 HydrophobicContact CZ-CE2 4.26Å; F375-F379 VanDerWaalsContact O-CD2 3.3Å; F375-F379 WeakPolarHBondContact O-CD2 3.16Å; F375-F379 PolarHBondContact O-N 3.29Å; F375-I381 HydrophobicContact CE1-CG1 4.12Å; F375-I384 HydrophobicContact CD1-CD1 4.39Å; F375-I384 HydrophobicContact CE1-CD1 4.15Å
376	V	95	Very high	91.6	Very high	45 Å²	45	41.5 Å²	41.5	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-61.7	-43.5	177.8	168.4	0	0	0	0	111.1	W372 E373 G380 I381 I384	W372-V376 PolarHBondContact O-N 2.87Å; E373-V376 PolarHBondContact O-N 3.46Å; V376-G380 WeakPolarHBondContact O-CA 3.35Å; V376-G380 PolarHBondContact O-N 3.17Å; V376-I381 WeakPolarHBondContact CG1-O 3.3Å; V376-I384 HydrophobicContact CG2-CG1 3.77Å
377	Q	94.4	Very high	91.9	Very high	134 Å²	134	40 Å²	40	63%	0.626	21%	0.206	S	C	*	.	H	α-helix	trans	-66.3	-36.2	178.2	-74.4	176.1	8.2	0	0	112.5	R355 E373 F375	R355-Q377 PolarHBondContact NH2-O 3.37Å; E373-Q377 VanDerWaalsContact O-CB 3.3Å; E373-Q377 WeakPolarHBondContact O-CB 3.32Å; E373-Q377 VanDerWaalsContact O-CG 3.23Å; E373-Q377 WeakPolarHBondContact O-CG 3.23Å; E373-Q377 PolarHBondContact O-N 2.83Å; F375-Q377 VanDerWaalsContact C-N 3.35Å; F375-Q377 PolarHBondContact O-N 2.84Å
378	R	95.3	Very high	92.1	Very high	45 Å²	45	40.7 Å²	40.7	17%	0.17	21%	0.208	C	C	.	.	H	α-helix	trans	-71.9	-52.3	179.8	-176.2	173.4	173	179.9	-10.8	111.5	L346 Q348 P349 P350 D354 R355 A374 F375	L346-R378 HydrophobicContact CD1-CB 4.24Å; L346-R378 PolarHBondContact O-NH1 3.2Å; Q348-R378 PolarHBondContact O-NH1 3.13Å; Q348-R378 PolarHBondContact O-NH2 3.5Å; P349-R378 VanDerWaalsContact C-NH2 3.25Å; P349-R378 PolarHBondContact O-NH2 3Å; P350-R378 VanDerWaalsContact CA-NH2 3.31Å; D354-R378 IonicContact OD1-NH2 2.69Å; D354-R378 IonicContact OD2-CZ 3.82Å; D354-R378 VanDerWaalsContact OD2-CZ 3.32Å; D354-R378 IonicContact OD2-NE 3.94Å; D354-R378 PolarHBondContact OD2-NE 3.25Å; D354-R378 IonicContact OD2-NH2 3.28Å; D354-R378 PolarHBondContact OD2-NH2 3.42Å; R355-R378 PolarHBondContact NE-O 2.91Å; A374-R378 VanDerWaalsContact O-CB 3.29Å; A374-R378 WeakPolarHBondContact O-CB 3.43Å; A374-R378 PolarHBondContact O-N 3.46Å; F375-R378 PolarHBondContact O-N 2.93Å
379	F	96.6	Very high	92.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-93.5	-7.2	-169.9	-56.6	-64.1	0	0	0	114.2	W324 L345 L346 D354 H357 F375 I381	W324-F379 HydrophobicContact CD2-CD1 4.32Å; W324-F379 AromaticContact CE2-CD1 3.39Å; W324-F379 AromaticContact CE2-CE1 3.53Å; W324-F379 AromaticContact CE2-CG 3.93Å; W324-F379 HydrophobicContact CH2-CB 3.87Å; W324-F379 HydrophobicContact CH2-CD1 4.13Å; W324-F379 HydrophobicContact CH2-CD2 4.34Å; W324-F379 AromaticContact CH2-CG 3.85Å; W324-F379 HydrophobicContact CH2-CG 3.85Å; W324-F379 HydrophobicContact CZ2-CB 3.85Å; W324-F379 AromaticContact CZ2-CD1 3.29Å; W324-F379 HydrophobicContact CZ2-CD1 3.29Å; W324-F379 AromaticContact CZ2-CD2 3.65Å; W324-F379 HydrophobicContact CZ2-CD2 3.65Å; W324-F379 AromaticContact CZ2-CE1 3.68Å; W324-F379 HydrophobicContact CZ2-CE1 3.68Å; W324-F379 AromaticContact CZ2-CE2 4Å; W324-F379 HydrophobicContact CZ2-CE2 4Å; W324-F379 AromaticContact CZ2-CG 3.29Å; W324-F379 HydrophobicContact CZ2-CG 3.29Å; W324-F379 HydrophobicContact CZ2-CZ 4.01Å; W324-F379 AromaticContact NE1-CD1 3.46Å; W324-F379 AromaticContact NE1-CE1 3.08Å; W324-F379 AromaticContact NE1-CZ 3.69Å; L345-F379 HydrophobicContact CB-CE2 4.14Å; L345-F379 HydrophobicContact CB-CZ 4.07Å; L345-F379 WeakPolarHBondContact O-CZ 3.34Å; L346-F379 HydrophobicContact CD1-CE2 4.36Å; D354-F379 HydrophobicContact CB-CD1 3.87Å; D354-F379 HydrophobicContact CB-CE1 4Å; D354-F379 VanDerWaalsContact O-CA 3.29Å; D354-F379 WeakPolarHBondContact O-CA 3.06Å; H357-F379 PolarHBondContact CE1-O 3.25Å; H357-F379 VanDerWaalsContact CE1-O 3.26Å; H357-F379 PolarHBondContact NE2-O 2.82Å; H357-F379 VanDerWaalsContact NE2-O 3.16Å; F375-F379 HydrophobicContact CD1-CD2 4.3Å; F375-F379 AromaticContact CD2-CD2 3.54Å; F375-F379 HydrophobicContact CD2-CD2 3.54Å; F375-F379 AromaticContact CD2-CE2 3.51Å; F375-F379 HydrophobicContact CD2-CE2 3.51Å; F375-F379 HydrophobicContact CE1-CD2 4.22Å; F375-F379 AromaticContact CE2-CD2 3.44Å; F375-F379 HydrophobicContact CE2-CD2 3.44Å; F375-F379 VanDerWaalsContact CE2-CD2 3.44Å; F375-F379 AromaticContact CE2-CE2 3.47Å; F375-F379 HydrophobicContact CE2-CE2 3.47Å; F375-F379 VanDerWaalsContact CE2-CE2 3.47Å; F375-F379 AromaticContact CG-CD2 3.97Å; F375-F379 HydrophobicContact CG-CD2 3.97Å; F375-F379 HydrophobicContact CG-CE2 4.32Å; F375-F379 AromaticContact CZ-CD2 3.79Å; F375-F379 HydrophobicContact CZ-CD2 3.79Å; F375-F379 HydrophobicContact CZ-CE2 4.26Å; F375-F379 VanDerWaalsContact O-CD2 3.3Å; F375-F379 WeakPolarHBondContact O-CD2 3.16Å; F375-F379 PolarHBondContact O-N 3.29Å; F379-I381 VanDerWaalsContact C-N 3.28Å; F379-I381 HydrophobicContact CB-CD1 4.24Å; F379-I381 HydrophobicContact CB-CG1 3.91Å; F379-I381 PolarHBondContact O-N 3.31Å
380	G	94.8	Very high	92.3	Very high	32 Å²	32	38.4 Å²	38.4	33%	0.33	21%	0.205	S	C	.	.			trans	67.4	26.1	177.2	0	0	0	0	0	114.1	V376 K382	V376-G380 WeakPolarHBondContact O-CA 3.35Å; V376-G380 PolarHBondContact O-N 3.17Å; G380-K382 PolarHBondContact O-N 2.83Å
381	I	95.2	Very high	92.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.194	C	C	.	.			trans	-74.2	112.4	-179.4	-50.7	-61.9	0	0	0	109.7	W324 H357 I359 M362 F375 V376 F379 Q383 I384	W324-I381 HydrophobicContact CH2-CD1 4.05Å; W324-I381 HydrophobicContact CZ3-CD1 4.14Å; H357-I381 VanDerWaalsContact CE1-CD1 3.48Å; H357-I381 WeakPolarHBondContact CE1-CD1 3.18Å; I359-I381 HydrophobicContact CB-CD1 3.98Å; I359-I381 HydrophobicContact CG2-CD1 3.76Å; M362-I381 HydrophobicContact CB-CG2 4.39Å; M362-I381 HydrophobicContact CG-CD1 4.41Å; M362-I381 HydrophobicContact CG-CG2 3.99Å; M362-I381 HydrophobicContact SD-CD1 4.09Å; M362-I381 HydrophobicContact SD-CG1 3.97Å; M362-I381 HydrophobicContact SD-CG2 4.44Å; F375-I381 HydrophobicContact CE1-CG1 4.12Å; V376-I381 WeakPolarHBondContact CG1-O 3.3Å; F379-I381 VanDerWaalsContact C-N 3.28Å; F379-I381 HydrophobicContact CB-CD1 4.24Å; F379-I381 HydrophobicContact CB-CG1 3.91Å; F379-I381 PolarHBondContact O-N 3.31Å; I381-Q383 VanDerWaalsContact C-N 3.32Å; I381-Q383 WeakPolarHBondContact CG2-O 3.45Å; I381-Q383 PolarHBondContact O-N 2.9Å; I381-I384 HydrophobicContact CB-CD1 4.03Å; I381-I384 HydrophobicContact CG2-CD1 3.52Å; I381-I384 HydrophobicContact CG2-CG1 4.38Å
382	K	92.6	Very high	92	Very high	183 Å²	183	36.7 Å²	36.7	80%	0.796	20%	0.197	S	C	*	.	S	Bend	trans	-70.3	-28.5	-175.7	-62.9	-177.3	-178.3	179.7	0	113.5	G380	G380-K382 PolarHBondContact O-N 2.83Å
383	Q	95	Very high	91.5	Very high	39 Å²	39	36.5 Å²	36.5	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	115.3	-175	-164.6	175	9.5	0	0	111.8	R360 M361 M362 I381 C385 N404	R360-Q383 PolarHBondContact O-N 2.83Å; M361-Q383 CarbonylContact C-O 3.55Å; M361-Q383 VanDerWaalsContact CA-O 3.23Å; M361-Q383 WeakPolarHBondContact CA-O 3.4Å; M361-Q383 HydrophobicContact CB-CB 4.22Å; M361-Q383 HydrophobicContact CG-CB 4.19Å; M361-Q383 HydrophobicContact CG-CG 4.27Å; M362-Q383 PolarHBondContact N-O 2.89Å; I381-Q383 VanDerWaalsContact C-N 3.32Å; I381-Q383 WeakPolarHBondContact CG2-O 3.45Å; I381-Q383 PolarHBondContact O-N 2.9Å; Q383-C385 PolarHBondContact NE2-SG 3.03Å; Q383-N404 VanDerWaalsContact CA-OD1 3.23Å; Q383-N404 WeakPolarHBondContact CA-OD1 3.13Å
384	I	95.2	Very high	91	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.2	167	-56.3	-61.2	0	0	0	108	Y337 M362 L367 W372 F375 V376 I381 N404	Y337-I384 HydrophobicContact CE1-CG2 4.03Å; Y337-I384 WeakPolarHBondContact OH-CG2 3.45Å; M362-I384 HydrophobicContact CB-CD1 3.88Å; M362-I384 HydrophobicContact CG-CD1 4.47Å; M362-I384 WeakPolarHBondContact O-CA 3.49Å; L367-I384 HydrophobicContact CD2-CG2 3.85Å; W372-I384 HydrophobicContact CH2-CG2 4.03Å; W372-I384 HydrophobicContact CZ2-CB 3.66Å; W372-I384 HydrophobicContact CZ2-CG2 3.47Å; W372-I384 VanDerWaalsContact CZ2-CG2 3.47Å; F375-I384 HydrophobicContact CD1-CD1 4.39Å; F375-I384 HydrophobicContact CE1-CD1 4.15Å; V376-I384 HydrophobicContact CG2-CG1 3.77Å; I381-I384 HydrophobicContact CB-CD1 4.03Å; I381-I384 HydrophobicContact CG2-CD1 3.52Å; I381-I384 HydrophobicContact CG2-CG1 4.38Å; I384-N404 PolarHBondContact N-OD1 3.46Å; I384-N404 PolarHBondContact O-OD1 2.81Å
385	C	95	Very high	90.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.5	177.9	-69.1	0	0	0	0	110.2	F278 M362 Y363 G364 Q383 N401	F278-C385 HydrophobicContact CB-CB 4.31Å; F278-C385 HydrophobicContact CD1-CB 3.43Å; F278-C385 VanDerWaalsContact CD1-CB 3.43Å; F278-C385 VanDerWaalsContact CD1-SG 3.58Å; F278-C385 HydrophobicContact CD2-CB 3.87Å; F278-C385 HydrophobicContact CE1-CB 3.56Å; F278-C385 HydrophobicContact CE2-CB 3.99Å; F278-C385 HydrophobicContact CG-CB 3.6Å; F278-C385 HydrophobicContact CZ-CB 3.84Å; M362-C385 PolarHBondContact O-N 3.36Å; Y363-C385 VanDerWaalsContact CA-O 3.25Å; Y363-C385 WeakPolarHBondContact CA-O 3.31Å; G364-C385 PolarHBondContact N-O 2.95Å; Q383-C385 PolarHBondContact NE2-SG 3.03Å; C385-N401 WeakPolarHBondContact CA-O 3.33Å
386	E	92.1	Very high	89	Confident	7 Å²	7	29.4 Å²	29.4	3%	0.033	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.7	172.4	-59.2	-123.1	130.3	0	0	110.9	Y337 G364 G366 L367 W372 V400 N401	Y337-E386 WeakPolarHBondContact OH-CG 3.28Å; Y337-E386 PolarHBondContact OH-OE1 3.2Å; G364-E386 CarbonylContact O-C 3.53Å; G364-E386 WeakPolarHBondContact O-CA 3.4Å; G366-E386 PolarHBondContact N-OE1 3.27Å; G366-E386 PolarHBondContact N-OE2 2.81Å; L367-E386 WeakPolarHBondContact CB-OE1 3.32Å; L367-E386 PolarHBondContact N-OE1 2.9Å; W372-E386 HydrophobicContact CH2-CG 3.82Å; W372-E386 HydrophobicContact CZ3-CG 4.08Å; E386-V400 CarbonylContact O-C 3.59Å; E386-V400 WeakPolarHBondContact O-CA 3.35Å; E386-N401 HydrophobicContact CB-CB 3.88Å; E386-N401 HydrophobicContact CG-CB 4.47Å; E386-N401 PolarHBondContact N-O 3.04Å; E386-N401 PolarHBondContact O-N 3.25Å
387	L	91.2	Very high	87.7	Confident	11 Å²	11	28.1 Å²	28.1	6%	0.058	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.3	160.6	62.2	124.2	0	0	0	109.6	V274 F278 I300 Y363 G364 N365 I396 V400	V274-L387 HydrophobicContact CG2-CD2 4.35Å; F278-L387 HydrophobicContact CE2-CD2 3.9Å; F278-L387 HydrophobicContact CZ-CB 4.1Å; F278-L387 HydrophobicContact CZ-CD2 4.17Å; I300-L387 HydrophobicContact CG2-CD2 4.04Å; Y363-L387 HydrophobicContact CD2-CD2 4.44Å; G364-L387 PolarHBondContact O-N 2.84Å; N365-L387 WeakPolarHBondContact CB-O 3.29Å; L387-I396 HydrophobicContact CD1-CD1 4.16Å; L387-I396 HydrophobicContact CD1-CG1 3.76Å; L387-V400 HydrophobicContact CB-CG1 4.35Å
388	Y	91	Very high	86.9	Confident	18 Å²	18	22.1 Å²	22.1	7%	0.071	12%	0.119	C	C	.	.			trans	-111.2	131.4	172	168	-83	0	0	0	110.1	I396 I399 L455 S495 D497 L499 F509	Y388-I396 WeakPolarHBondContact O-CA 3.23Å; Y388-I399 HydrophobicContact CD1-CB 4.2Å; Y388-I399 HydrophobicContact CD1-CD1 3.67Å; Y388-I399 HydrophobicContact CD1-CG2 4.36Å; Y388-I399 HydrophobicContact CE1-CD1 4.12Å; Y388-I399 HydrophobicContact CG-CG2 4.33Å; Y388-I399 PolarHBondContact N-O 3.12Å; Y388-I399 VanDerWaalsContact N-O 3.14Å; Y388-L455 HydrophobicContact CD1-CD2 3.91Å; Y388-L455 HydrophobicContact CE1-CD2 3.16Å; Y388-S495 VanDerWaalsContact OH-CB 3.26Å; Y388-S495 WeakPolarHBondContact OH-CB 3.31Å; Y388-S495 PolarHBondContact OH-OG 3.47Å; Y388-D497 HydrophobicContact CE2-CB 4.24Å; Y388-D497 WeakPolarHBondContact CE2-OD2 3.35Å; Y388-D497 VanDerWaalsContact OH-CB 3.29Å; Y388-D497 WeakPolarHBondContact OH-CB 3.49Å; Y388-D497 PolarHBondContact OH-OD2 3.37Å; Y388-L499 HydrophobicContact CD2-CD2 4.37Å; Y388-L499 HydrophobicContact CE2-CD1 4.05Å; Y388-L499 HydrophobicContact CE2-CD2 4.29Å; Y388-F509 HydrophobicContact CE2-CD2 4.18Å
389	G	87.4	Confident	86.5	Confident	32 Å²	32	20 Å²	20	33%	0.33	11%	0.111	S	C	.	.			trans	168.6	-178.2	166.2	0	0	0	0	0	112.9
390	S	85.8	Confident	86.3	Confident	27 Å²	27	20.3 Å²	20.3	19%	0.189	11%	0.114	C	C	.	.			trans	-120.3	161.6	175.9	72.6	0	0	0	0	111.3	E392 G393	S390-E392 WeakPolarHBondContact CB-OE1 3.25Å; S390-E392 PolarHBondContact O-N 3.37Å; S390-E392 PolarHBondContact OG-OE1 2.87Å; S390-E392 PolarHBondContact OG-OE2 2.84Å; S390-G393 PolarHBondContact O-N 3.38Å; S390-G393 VanDerWaalsContact O-N 3.16Å; S390-G393 WeakPolarHBondContact OG-CA 2.93Å; S390-G393 PolarHBondContact OG-N 2.95Å; S390-G393 VanDerWaalsContact OG-N 3.08Å
391	T	84.3	Confident	86.3	Confident	9 Å²	9	18.8 Å²	18.8	6%	0.055	10%	0.098	C	C	.	.	S	Bend	trans	-50.4	-44.7	178.6	-63.7	0	0	0	0	111.9	I248 T250 A260 I262 R266 T295	I248-T391 HydrophobicContact CB-CG2 3.81Å; I248-T391 HydrophobicContact CG2-CG2 3.72Å; T250-T391 HydrophobicContact CG2-CG2 4.02Å; A260-T391 HydrophobicContact CB-CG2 3.83Å; I262-T391 HydrophobicContact CD1-CG2 4.08Å; R266-T391 PolarHBondContact NE-O 2.81Å; R266-T391 PolarHBondContact NH2-O 3.28Å; T295-T391 WeakPolarHBondContact OG1-CB 3.41Å; T295-T391 VanDerWaalsContact OG1-CG2 3.29Å; T295-T391 WeakPolarHBondContact OG1-CG2 3.44Å; T295-T391 PolarHBondContact OG1-OG1 3.31Å
392	E	81.1	Confident	86	Confident	18 Å²	18	19 Å²	19	8%	0.084	10%	0.099	C	C	.	.	S	Bend	trans	-86	-26.2	-179	72.1	-76.9	172.4	0	0	113.8	A260 R266 S390 F468 Y471 K480 F493	A260-E392 HydrophobicContact CB-CB 4.35Å; R266-E392 VanDerWaalsContact NH2-C 3.33Å; R266-E392 PolarHBondContact NH2-O 2.88Å; S390-E392 WeakPolarHBondContact CB-OE1 3.25Å; S390-E392 PolarHBondContact O-N 3.37Å; S390-E392 PolarHBondContact OG-OE1 2.87Å; S390-E392 PolarHBondContact OG-OE2 2.84Å; E392-F468 HydrophobicContact CB-CE2 3.78Å; E392-F468 HydrophobicContact CG-CE2 3.77Å; E392-F468 HydrophobicContact CG-CZ 4.48Å; E392-F468 WeakPolarHBondContact O-CD2 3.25Å; E392-F468 WeakPolarHBondContact O-CE2 3.3Å; E392-Y471 HydrophobicContact CB-CE1 4.31Å; E392-Y471 HydrophobicContact CG-CE2 4.44Å; E392-Y471 VanDerWaalsContact CG-OH 3.31Å; E392-Y471 WeakPolarHBondContact CG-OH 3.49Å; E392-K480 IonicContact OE1-NZ 3.97Å; E392-F493 HydrophobicContact CG-CE2 3.76Å; E392-F493 HydrophobicContact CG-CZ 3.98Å
393	G	79.8	Confident	85.9	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.			trans	-74	148.1	-165.2	0	0	0	0	0	115.5	R266 S390 T395 F493	R266-G393 PolarHBondContact NH1-O 2.96Å; R266-G393 PolarHBondContact NH2-O 3.04Å; S390-G393 PolarHBondContact O-N 3.38Å; S390-G393 VanDerWaalsContact O-N 3.16Å; S390-G393 WeakPolarHBondContact OG-CA 2.93Å; S390-G393 PolarHBondContact OG-N 2.95Å; S390-G393 VanDerWaalsContact OG-N 3.08Å; G393-T395 VanDerWaalsContact C-N 3.26Å; G393-T395 PolarHBondContact O-N 3.47Å; G393-F493 VanDerWaalsContact CA-CE1 3.41Å
394	N	83.3	Confident	85.7	Confident	4 Å²	4	13.7 Å²	13.7	2%	0.021	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	17	178.8	67.2	-17.5	0	0	0	114	G457 V458 K466 D467	N394-G457 PolarHBondContact ND2-O 3.3Å; N394-G457 VanDerWaalsContact ND2-O 3.13Å; N394-V458 PolarHBondContact ND2-O 3.5Å; N394-V458 VanDerWaalsContact ND2-O 3.09Å; N394-K466 PolarHBondContact ND2-O 2.83Å; N394-D467 WeakPolarHBondContact CB-O 3.43Å
395	T	77.6	Confident	85.7	Confident	1 Å²	1	17 Å²	17	1%	0.006	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-11.8	-173.3	56.2	0	0	0	0	114.1	G393 F397 L398 I424 L455	G393-T395 VanDerWaalsContact C-N 3.26Å; G393-T395 PolarHBondContact O-N 3.47Å; T395-F397 PolarHBondContact O-N 3.38Å; T395-L398 PolarHBondContact O-N 3.22Å; T395-I424 HydrophobicContact CG2-CG2 4.05Å; T395-L455 HydrophobicContact CG2-CD2 3.89Å
396	I	65.4	Low	85.6	Confident	8 Å²	8	19.5 Å²	19.5	4%	0.041	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-3.8	-161.9	-150.4	163.4	0	0	0	116.4	M270 L387 Y388	M270-I396 HydrophobicContact CG-CG2 4.04Å; M270-I396 HydrophobicContact SD-CG2 4.42Å; L387-I396 HydrophobicContact CD1-CD1 4.16Å; L387-I396 HydrophobicContact CD1-CG1 3.76Å; Y388-I396 WeakPolarHBondContact O-CA 3.23Å
397	F	69.1	Low	85.4	Confident	19 Å²	19	19.7 Å²	19.7	8%	0.083	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	1	172.1	-64.7	-63.2	0	0	0	115.2	M269 M270 V274 I300 T395	M269-F397 HydrophobicContact CE-CD2 3.79Å; M269-F397 HydrophobicContact CE-CE2 3.68Å; M269-F397 HydrophobicContact CG-CD2 4.08Å; M269-F397 HydrophobicContact CG-CE2 4.23Å; M269-F397 HydrophobicContact SD-CD2 4.18Å; M270-F397 VanDerWaalsContact CA-CE2 3.4Å; M270-F397 HydrophobicContact CB-CE2 4.04Å; M270-F397 HydrophobicContact CB-CZ 3.99Å; M270-F397 HydrophobicContact CG-CE2 3.59Å; M270-F397 HydrophobicContact CG-CZ 3.88Å; M270-F397 WeakPolarHBondContact O-CZ 3.43Å; V274-F397 HydrophobicContact CG2-CE1 3.71Å; V274-F397 HydrophobicContact CG2-CZ 4.21Å; I300-F397 HydrophobicContact CD1-CZ 4.48Å; T395-F397 PolarHBondContact O-N 3.38Å
398	L	77.9	Confident	85.5	Confident	7 Å²	7	19.2 Å²	19.2	4%	0.037	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.5	175.8	-61.4	176.5	0	0	0	110.8	L59 T395 Y422 I424 V465	L59-L398 HydrophobicContact CD1-CD2 3.94Å; L59-L398 HydrophobicContact CD2-CD2 4.4Å; T395-L398 PolarHBondContact O-N 3.22Å; L398-Y422 HydrophobicContact CD2-CD1 4.09Å; L398-I424 HydrophobicContact CB-CD1 3.49Å; L398-I424 VanDerWaalsContact CB-CD1 3.49Å; L398-I424 HydrophobicContact CB-CG1 4.21Å; L398-I424 HydrophobicContact CB-CG2 4.36Å; L398-I424 HydrophobicContact CD1-CD1 4.5Å; L398-I424 HydrophobicContact CD1-CG1 4.42Å; L398-I424 HydrophobicContact CD1-CG2 3.52Å; L398-V465 HydrophobicContact CD2-CG1 4.49Å
399	I	87.1	Confident	85.5	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-131.7	100.8	178	-56.4	170.5	0	0	0	108.7	Y388 I424 L455 L507	Y388-I399 HydrophobicContact CD1-CB 4.2Å; Y388-I399 HydrophobicContact CD1-CD1 3.67Å; Y388-I399 HydrophobicContact CD1-CG2 4.36Å; Y388-I399 HydrophobicContact CE1-CD1 4.12Å; Y388-I399 HydrophobicContact CG-CG2 4.33Å; Y388-I399 PolarHBondContact N-O 3.12Å; Y388-I399 VanDerWaalsContact N-O 3.14Å; I399-I424 HydrophobicContact CD1-CD1 3.89Å; I399-I424 HydrophobicContact CG1-CD1 3.54Å; I399-L455 HydrophobicContact CD1-CD1 3.69Å; I399-L455 HydrophobicContact CD1-CD2 3.25Å; I399-L455 HydrophobicContact CD1-CG 4.1Å; I399-L507 HydrophobicContact CB-CD1 4.47Å; I399-L507 HydrophobicContact CD1-CD1 3.59Å; I399-L507 HydrophobicContact CG1-CD1 3.81Å; I399-L507 HydrophobicContact CG2-CD1 3.81Å
400	V	92.4	Very high	85.7	Confident	10 Å²	10	17.1 Å²	17.1	6%	0.061	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.6	178.2	-67.3	0	0	0	0	110.1	F278 E386 L387 M402 G410 F411	F278-V400 HydrophobicContact CE1-CB 4.15Å; F278-V400 HydrophobicContact CE1-CG1 4.42Å; F278-V400 HydrophobicContact CZ-CG1 4.48Å; E386-V400 CarbonylContact O-C 3.59Å; E386-V400 WeakPolarHBondContact O-CA 3.35Å; L387-V400 HydrophobicContact CB-CG1 4.35Å; V400-M402 HydrophobicContact CB-CG 4.32Å; V400-M402 HydrophobicContact CG2-CE 4.03Å; V400-M402 HydrophobicContact CG2-CG 3.84Å; V400-M402 HydrophobicContact CG2-SD 4Å; V400-G410 VanDerWaalsContact O-CA 3.25Å; V400-G410 WeakPolarHBondContact O-CA 3.32Å; V400-F411 VanDerWaalsContact O-CD1 3.31Å; V400-F411 WeakPolarHBondContact O-CD1 3.08Å
401	N	93.2	Very high	86.1	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	104.2	170.3	-175.8	-2.2	0	0	0	108.5	C385 E386 D403 N404 K405 A408 C409	C385-N401 WeakPolarHBondContact CA-O 3.33Å; E386-N401 HydrophobicContact CB-CB 3.88Å; E386-N401 HydrophobicContact CG-CB 4.47Å; E386-N401 PolarHBondContact N-O 3.04Å; E386-N401 PolarHBondContact O-N 3.25Å; N401-D403 PolarHBondContact OD1-N 2.93Å; N401-N404 PolarHBondContact OD1-N 3.08Å; N401-K405 PolarHBondContact ND2-N 2.83Å; N401-K405 PolarHBondContact ND2-O 3.14Å; N401-K405 PolarHBondContact OD1-N 3.24Å; N401-K405 VanDerWaalsContact OD1-N 3.17Å; N401-A408 PolarHBondContact ND2-O 3.27Å; N401-C409 PolarHBondContact N-O 3.02Å
402	M	90.5	Very high	86.3	Confident	4 Å²	4	16.6 Å²	16.6	2%	0.02	9%	0.089	C	C	.	.			trans	-102.8	-3.7	-179.2	-58.6	179.1	-74.5	0	0	113	V58 F278 V400 F411	V58-M402 HydrophobicContact CG2-SD 4.43Å; F278-M402 HydrophobicContact CD1-CG 4.28Å; F278-M402 HydrophobicContact CE1-CG 4.37Å; V400-M402 HydrophobicContact CB-CG 4.32Å; V400-M402 HydrophobicContact CG2-CE 4.03Å; V400-M402 HydrophobicContact CG2-CG 3.84Å; V400-M402 HydrophobicContact CG2-SD 4Å; M402-F411 HydrophobicContact CE-CE1 3.68Å; M402-F411 HydrophobicContact CE-CZ 4.05Å
403	D	88.7	Confident	86.6	Confident	54 Å²	54	16.7 Å²	16.7	29%	0.289	9%	0.09	S	C	.	.	S	Bend	trans	-117.3	8.1	-164.3	-54.5	-17.3	0	0	0	112.6	R51 N401 K405 Y506	R51-D403 VanDerWaalsContact CB-OD2 3.25Å; R51-D403 WeakPolarHBondContact CB-OD2 3.49Å; R51-D403 WeakPolarHBondContact CD-OD2 3.42Å; R51-D403 WeakPolarHBondContact CG-OD2 3.44Å; N401-D403 PolarHBondContact OD1-N 2.93Å; D403-K405 VanDerWaalsContact C-N 3.26Å; D403-K405 PolarHBondContact O-N 3.43Å; D403-Y506 PolarHBondContact OD2-OH 3.08Å
404	N	91.9	Very high	87	Confident	58 Å²	58	18 Å²	18	31%	0.31	10%	0.097	S	C	.	.			trans	61.4	29.3	-175.9	-56.2	-78	0	0	0	114	Q383 I384 N401 V406	Q383-N404 VanDerWaalsContact CA-OD1 3.23Å; Q383-N404 WeakPolarHBondContact CA-OD1 3.13Å; I384-N404 PolarHBondContact N-OD1 3.46Å; I384-N404 PolarHBondContact O-OD1 2.81Å; N401-N404 PolarHBondContact OD1-N 3.08Å; N404-V406 PolarHBondContact O-N 3.38Å
405	K	94.1	Very high	87.1	Confident	71 Å²	71	19.2 Å²	19.2	31%	0.309	10%	0.102	S	C	.	.			trans	-68.9	108	177.8	-177.9	66.2	174	179	0	109.2	N401 D403 G407 A408 Y506 Y508	N401-K405 PolarHBondContact ND2-N 2.83Å; N401-K405 PolarHBondContact ND2-O 3.14Å; N401-K405 PolarHBondContact OD1-N 3.24Å; N401-K405 VanDerWaalsContact OD1-N 3.17Å; D403-K405 VanDerWaalsContact C-N 3.26Å; D403-K405 PolarHBondContact O-N 3.43Å; K405-G407 PolarHBondContact O-N 2.96Å; K405-A408 HydrophobicContact CB-CB 3.93Å; K405-A408 HydrophobicContact CG-CB 3.73Å; K405-A408 PolarHBondContact O-N 3.14Å; K405-A408 VanDerWaalsContact O-N 3.08Å; K405-Y506 HydrophobicContact CB-CD1 3.87Å; K405-Y506 HydrophobicContact CB-CE1 3.56Å; K405-Y506 HydrophobicContact CB-CG 4.49Å; K405-Y506 HydrophobicContact CD-CD2 4.32Å; K405-Y506 HydrophobicContact CD-CE2 4.14Å; K405-Y506 HydrophobicContact CG-CD1 3.75Å; K405-Y506 HydrophobicContact CG-CD2 4.04Å; K405-Y506 HydrophobicContact CG-CE1 3.79Å; K405-Y506 HydrophobicContact CG-CE2 4.09Å; K405-Y506 HydrophobicContact CG-CG 3.87Å; K405-Y508 VanDerWaalsContact CE-OH 3.27Å; K405-Y508 WeakPolarHBondContact CE-OH 3.33Å
406	V	92.8	Very high	87.1	Confident	51 Å²	51	26.1 Å²	26.1	31%	0.309	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	127.8	-177.4	176.1	0	0	0	0	110.7	W372 E373 N404 A408	W372-V406 HydrophobicContact CB-CG1 3.96Å; W372-V406 HydrophobicContact CD2-CB 4.4Å; W372-V406 HydrophobicContact CD2-CG1 4.18Å; W372-V406 HydrophobicContact CD2-CG2 4.34Å; W372-V406 HydrophobicContact CE3-CG1 4.35Å; W372-V406 HydrophobicContact CG-CG1 4.04Å; W372-V406 HydrophobicContact CG-CG2 4.21Å; E373-V406 HydrophobicContact CG-CG2 4.29Å; N404-V406 PolarHBondContact O-N 3.38Å; V406-A408 PolarHBondContact O-N 3.01Å
407	G	87.7	Confident	87.8	Confident	12 Å²	12	31.3 Å²	31.3	12%	0.124	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-12.6	178.1	0	0	0	0	0	116	W372 K405 Y508	W372-G407 VanDerWaalsContact CE3-N 3.25Å; K405-G407 PolarHBondContact O-N 2.96Å; G407-Y508 VanDerWaalsContact O-CD1 3.27Å; G407-Y508 WeakPolarHBondContact O-CD1 3.49Å
408	A	93.4	Very high	88.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.			trans	-80.3	134.9	176.6	0	0	0	0	0	110.4	N401 K405 V406 Y506 L507 Y508	N401-A408 PolarHBondContact ND2-O 3.27Å; K405-A408 HydrophobicContact CB-CB 3.93Å; K405-A408 HydrophobicContact CG-CB 3.73Å; K405-A408 PolarHBondContact O-N 3.14Å; K405-A408 VanDerWaalsContact O-N 3.08Å; V406-A408 PolarHBondContact O-N 3.01Å; A408-Y506 HydrophobicContact CB-CD1 3.9Å; A408-Y506 HydrophobicContact CB-CG 4.28Å; A408-L507 CarbonylContact C-O 3.49Å; A408-L507 VanDerWaalsContact CA-O 3.26Å; A408-L507 WeakPolarHBondContact CA-O 3.34Å; A408-Y508 HydrophobicContact CB-CD1 4.42Å; A408-Y508 HydrophobicContact CB-CE1 3.97Å
409	C	91.5	Very high	88.1	Confident	6 Å²	6	32.5 Å²	32.5	4%	0.041	16%	0.159	C	C	.	.			trans	-88	-14.8	173.3	66.4	0	0	0	0	112.4	N401 L507	N401-C409 PolarHBondContact N-O 3.02Å; C409-L507 PolarHBondContact N-O 2.77Å; C409-L507 PolarHBondContact SG-O 2.76Å; C409-L507 VanDerWaalsContact SG-O 3.41Å
410	G	93	Very high	87.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-153.6	171.4	0	0	0	0	0	111.8	V400 Y506 L507	V400-G410 VanDerWaalsContact O-CA 3.25Å; V400-G410 WeakPolarHBondContact O-CA 3.32Å; G410-Y506 WeakPolarHBondContact O-CA 3.36Å; G410-L507 PolarHBondContact O-N 3.38Å
411	F	92.3	Very high	86.7	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157	-180	70.7	-82.6	0	0	0	113	R51 V400 M402 G505 Y506	R51-F411 HydrophobicContact CG-CD1 4.06Å; R51-F411 HydrophobicContact CG-CD2 4.31Å; R51-F411 HydrophobicContact CG-CE1 3.75Å; R51-F411 HydrophobicContact CG-CE2 4.01Å; R51-F411 HydrophobicContact CG-CG 4.34Å; R51-F411 HydrophobicContact CG-CZ 3.71Å; V400-F411 VanDerWaalsContact O-CD1 3.31Å; V400-F411 WeakPolarHBondContact O-CD1 3.08Å; M402-F411 HydrophobicContact CE-CE1 3.68Å; M402-F411 HydrophobicContact CE-CZ 4.05Å; F411-G505 CarbonylContact C-O 3.5Å; F411-G505 WeakPolarHBondContact CA-O 3.24Å; F411-G505 WeakPolarHBondContact CB-O 3.45Å; F411-Y506 HydrophobicContact CB-CD1 4.11Å; F411-Y506 HydrophobicContact CB-CE1 4.5Å
412	L	89.6	Confident	85.9	Confident	18 Å²	18	40.1 Å²	40.1	9%	0.094	20%	0.202	C	C	.	.			trans	-109.6	144.4	160.5	-62.1	179.5	0	0	0	108.9	I414 I424 M501 G505 L507	L412-I414 PolarHBondContact O-N 2.94Å; L412-I424 HydrophobicContact CD2-CD1 3.25Å; L412-I424 HydrophobicContact CD2-CG1 3.61Å; L412-M501 HydrophobicContact CB-SD 3.89Å; L412-M501 HydrophobicContact CD1-SD 3.92Å; L412-M501 HydrophobicContact CG-SD 4.3Å; L412-G505 PolarHBondContact N-O 3Å; L412-G505 WeakPolarHBondContact O-CA 3.33Å; L412-L507 HydrophobicContact CD1-CD1 4.2Å; L412-L507 HydrophobicContact CD1-CD2 4.26Å; L412-L507 HydrophobicContact CD2-CD1 4.2Å; L412-L507 HydrophobicContact CG-CD1 3.76Å; L412-L507 HydrophobicContact CG-CD2 4.41Å; L412-L507 HydrophobicContact CG-CG 4.16Å
413	T	87.2	Confident	85.6	Confident	19 Å²	19	40.8 Å²	40.8	12%	0.117	21%	0.207	C	C	.	.			trans	-64.3	134.2	174.3	-171.6	0	0	0	0	111.2	D52 Y415 L418 Y422	D52-T413 VanDerWaalsContact OD1-CA 3.24Å; D52-T413 WeakPolarHBondContact OD1-CA 3.28Å; D52-T413 WeakPolarHBondContact OD1-CB 3.29Å; D52-T413 PolarHBondContact OD1-OG1 3.33Å; T413-Y415 VanDerWaalsContact OG1-CD2 3.28Å; T413-Y415 WeakPolarHBondContact OG1-CD2 3.31Å; T413-Y415 PolarHBondContact OG1-N 2.99Å; T413-L418 HydrophobicContact CG2-CB 3.91Å; T413-Y422 HydrophobicContact CG2-CD2 3.79Å; T413-Y422 HydrophobicContact CG2-CE2 4.09Å
414	I	87.6	Confident	85.6	Confident	28 Å²	28	38.4 Å²	38.4	14%	0.144	19%	0.194	C	C	.	.	S	Bend	trans	-76.8	-15.8	173.8	68.8	171.8	0	0	0	111.7	F41 R44 A45 L412 R416	F41-I414 HydrophobicContact CE2-CD1 4.17Å; F41-I414 HydrophobicContact CE2-CG1 4.29Å; R44-I414 HydrophobicContact CB-CD1 3.89Å; A45-I414 HydrophobicContact CB-CD1 4.43Å; L412-I414 PolarHBondContact O-N 2.94Å; I414-R416 PolarHBondContact O-N 3.32Å
415	Y	85.6	Confident	85.5	Confident	29 Å²	29	35.9 Å²	35.9	11%	0.114	18%	0.182	C	C	.	.			trans	-75	93.5	179	-60.7	-71.1	0	0	0	110.3	F41 A45 L49 D52 T413 F417 L418	F41-Y415 HydrophobicContact CZ-CD1 4.34Å; A45-Y415 VanDerWaalsContact CA-OH 3.31Å; A45-Y415 WeakPolarHBondContact CA-OH 3.49Å; A45-Y415 HydrophobicContact CB-CE1 3.75Å; A45-Y415 WeakPolarHBondContact CB-OH 3.49Å; A45-Y415 PolarHBondContact O-OH 3.26Å; L49-Y415 HydrophobicContact CD1-CE2 4.48Å; D52-Y415 HydrophobicContact CB-CD2 4.31Å; D52-Y415 HydrophobicContact CB-CE2 4.01Å; T413-Y415 VanDerWaalsContact OG1-CD2 3.28Å; T413-Y415 WeakPolarHBondContact OG1-CD2 3.31Å; T413-Y415 PolarHBondContact OG1-N 2.99Å; Y415-F417 AromaticContact CD1-CE1 3.84Å; Y415-F417 HydrophobicContact CD1-CE1 3.84Å; Y415-F417 HydrophobicContact CD1-CZ 4.24Å; Y415-F417 HydrophobicContact CG-CE1 4.11Å; Y415-F417 HydrophobicContact CG-CZ 4.32Å; Y415-F417 PolarHBondContact O-N 2.63Å; Y415-F417 VanDerWaalsContact O-N 3.12Å; Y415-L418 HydrophobicContact CD2-CD1 4.33Å; Y415-L418 HydrophobicContact CG-CD1 4.37Å; Y415-L418 WeakPolarHBondContact O-CB 3.4Å; Y415-L418 PolarHBondContact O-N 3.12Å
416	R	78.3	Confident	85.5	Confident	146 Å²	146	33 Å²	33	55%	0.551	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-59.9	-31.2	-170.3	-173.8	57	177.7	-148.6	-5.5	113.9	I414 L418 S419 R446	I414-R416 PolarHBondContact O-N 3.32Å; R416-L418 PolarHBondContact O-N 3.05Å; R416-S419 WeakPolarHBondContact O-CB 3.38Å; R416-S419 PolarHBondContact O-N 3.07Å; R416-R446 VanDerWaalsContact NH2-CD 3.34Å; R416-R446 VanDerWaalsContact NH2-NH1 3.11Å
417	F	80	Confident	85.6	Confident	118 Å²	118	30.5 Å²	30.5	52%	0.518	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-62.6	-21.2	175.9	66.3	-91.6	0	0	0	113.1	Y415 P420	Y415-F417 AromaticContact CD1-CE1 3.84Å; Y415-F417 HydrophobicContact CD1-CE1 3.84Å; Y415-F417 HydrophobicContact CD1-CZ 4.24Å; Y415-F417 HydrophobicContact CG-CE1 4.11Å; Y415-F417 HydrophobicContact CG-CZ 4.32Å; Y415-F417 PolarHBondContact O-N 2.63Å; Y415-F417 VanDerWaalsContact O-N 3.12Å; F417-P420 VanDerWaalsContact O-CD 3.3Å; F417-P420 WeakPolarHBondContact O-CD 3.45Å
418	L	81	Confident	85.9	Confident	28 Å²	28	32.8 Å²	32.8	15%	0.147	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-86.1	-3	174.3	-58.8	-178.7	0	0	0	113.5	I56 T413 Y415 R416 P420 L421	I56-L418 HydrophobicContact CD1-CD1 3.65Å; T413-L418 HydrophobicContact CG2-CB 3.91Å; Y415-L418 HydrophobicContact CD2-CD1 4.33Å; Y415-L418 HydrophobicContact CG-CD1 4.37Å; Y415-L418 WeakPolarHBondContact O-CB 3.4Å; Y415-L418 PolarHBondContact O-N 3.12Å; R416-L418 PolarHBondContact O-N 3.05Å; L418-P420 VanDerWaalsContact C-N 3.27Å; L418-P420 VanDerWaalsContact O-N 3.15Å; L418-L421 HydrophobicContact CB-CD1 4.38Å; L418-L421 HydrophobicContact CD2-CD1 3.85Å; L418-L421 VanDerWaalsContact O-CB 3.32Å; L418-L421 WeakPolarHBondContact O-CB 3.43Å; L418-L421 PolarHBondContact O-N 2.9Å
419	S	72.4	Confident	85.8	Confident	23 Å²	23	33.5 Å²	33.5	16%	0.161	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.9	179.4	-173.7	0	0	0	0	114.9	R416 L421 Y422 R446	R416-S419 WeakPolarHBondContact O-CB 3.38Å; R416-S419 PolarHBondContact O-N 3.07Å; S419-L421 VanDerWaalsContact C-N 3.26Å; S419-L421 PolarHBondContact O-N 2.94Å; S419-Y422 CarbonylContact O-C 3.46Å; S419-Y422 PolarHBondContact O-N 3.03Å; S419-R446 PolarHBondContact OG-NH1 3.33Å; S419-R446 VanDerWaalsContact OG-NH1 3.1Å
420	P	75	Confident	85.6	Confident	81 Å²	81	36.1 Å²	36.1	53%	0.526	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.1	172.8	-23.9	35.6	0	0	0	114.2	F417 L418	F417-P420 VanDerWaalsContact O-CD 3.3Å; F417-P420 WeakPolarHBondContact O-CD 3.45Å; L418-P420 VanDerWaalsContact C-N 3.27Å; L418-P420 VanDerWaalsContact O-N 3.15Å
421	L	74.7	Confident	84.6	Confident	74 Å²	74	41.3 Å²	41.3	39%	0.387	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-35.5	176	-62.8	174.1	0	0	0	111.3	L418 S419 P423 K466	L418-L421 HydrophobicContact CB-CD1 4.38Å; L418-L421 HydrophobicContact CD2-CD1 3.85Å; L418-L421 VanDerWaalsContact O-CB 3.32Å; L418-L421 WeakPolarHBondContact O-CB 3.43Å; L418-L421 PolarHBondContact O-N 2.9Å; S419-L421 VanDerWaalsContact C-N 3.26Å; S419-L421 PolarHBondContact O-N 2.94Å; L421-P423 WeakPolarHBondContact O-CD 3.44Å; L421-K466 PolarHBondContact O-NZ 2.81Å
422	Y	77.2	Confident	83.5	Confident	15 Å²	15	51 Å²	51	6%	0.059	24%	0.24	C	C	.	.	S	Bend	trans	-111.1	80.7	178.2	-60.8	-87.4	0	0	0	110.1	I56 L59 L398 T413 S419 I424	I56-Y422 HydrophobicContact CG1-CE2 4.44Å; L59-Y422 HydrophobicContact CD2-CD1 4.43Å; L59-Y422 HydrophobicContact CD2-CE1 3.88Å; L398-Y422 HydrophobicContact CD2-CD1 4.09Å; T413-Y422 HydrophobicContact CG2-CD2 3.79Å; T413-Y422 HydrophobicContact CG2-CE2 4.09Å; S419-Y422 CarbonylContact O-C 3.46Å; S419-Y422 PolarHBondContact O-N 3.03Å; Y422-I424 PolarHBondContact O-N 3.38Å
423	P	82.5	Confident	83	Confident	17 Å²	17	53 Å²	53	11%	0.11	25%	0.253	C	S	.	.			trans	-79.4	45.4	-175.4	39.2	-41.1	0	0	0	111.3	L421 V458 K466	L421-P423 WeakPolarHBondContact O-CD 3.44Å; P423-V458 HydrophobicContact CB-CB 4.02Å; P423-V458 HydrophobicContact CB-CG2 4.29Å; P423-V458 WeakPolarHBondContact O-CG2 2.87Å; P423-V458 PolarHBondContact O-N 3.48Å; P423-K466 HydrophobicContact CG-CD 3.91Å; P423-K466 HydrophobicContact CG-CG 4.25Å
424	I	88.9	Confident	82.7	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.1	176.3	57.1	164	0	0	0	108.9	T395 L398 I399 L412 Y422 V456	T395-I424 HydrophobicContact CG2-CG2 4.05Å; L398-I424 HydrophobicContact CB-CD1 3.49Å; L398-I424 VanDerWaalsContact CB-CD1 3.49Å; L398-I424 HydrophobicContact CB-CG1 4.21Å; L398-I424 HydrophobicContact CB-CG2 4.36Å; L398-I424 HydrophobicContact CD1-CD1 4.5Å; L398-I424 HydrophobicContact CD1-CG1 4.42Å; L398-I424 HydrophobicContact CD1-CG2 3.52Å; I399-I424 HydrophobicContact CD1-CD1 3.89Å; I399-I424 HydrophobicContact CG1-CD1 3.54Å; L412-I424 HydrophobicContact CD2-CD1 3.25Å; L412-I424 HydrophobicContact CD2-CG1 3.61Å; Y422-I424 PolarHBondContact O-N 3.38Å; I424-V456 CarbonylContact C-O 3.52Å; I424-V456 VanDerWaalsContact CA-O 3.23Å; I424-V456 WeakPolarHBondContact CA-O 3.34Å
425	G	90.5	Very high	82.7	Confident	5 Å²	5	58.4 Å²	58.4	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	166	173.4	0	0	0	0	0	112.4	V456	G425-V456 PolarHBondContact N-O 3.37Å; G425-V456 WeakPolarHBondContact O-CG2 3.49Å; G425-V456 PolarHBondContact O-N 2.97Å
426	L	93.6	Very high	83	Confident	9 Å²	9	57.8 Å²	57.8	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.9	171.4	-59.7	-178.7	0	0	0	109.6	R446 C447 E454 L455 L499 M501 L507	L426-R446 WeakPolarHBondContact O-CA 3.26Å; L426-C447 HydrophobicContact CB-CB 3.84Å; L426-C447 PolarHBondContact O-N 3.17Å; L426-E454 WeakPolarHBondContact CA-O 3.38Å; L426-L455 HydrophobicContact CD2-CB 3.94Å; L426-L455 HydrophobicContact CD2-CD1 3.81Å; L426-L499 HydrophobicContact CD1-CB 4.46Å; L426-L499 HydrophobicContact CD2-CB 3.77Å; L426-M501 HydrophobicContact CD1-CB 3.92Å; L426-L507 HydrophobicContact CD1-CD2 3.74Å; L426-L507 HydrophobicContact CD2-CD2 4.32Å; L426-L507 HydrophobicContact CG-CD2 4.11Å
427	V	94.9	Very high	83.8	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.1	174.6	-68.6	0	0	0	0	110.5	V429 L436 C444 I445 C447 G453 E454 V456 V485 F486	V427-V429 PolarHBondContact O-N 2.78Å; V427-L436 HydrophobicContact CG2-CD1 4.23Å; V427-L436 HydrophobicContact CG2-CD2 3.78Å; V427-C444 HydrophobicContact CB-CB 4.1Å; V427-C444 HydrophobicContact CG1-CB 3.76Å; V427-I445 CarbonylContact C-O 3.55Å; V427-I445 VanDerWaalsContact CA-O 3.27Å; V427-I445 WeakPolarHBondContact CA-O 3.49Å; V427-C447 VanDerWaalsContact C-SG 3.53Å; V427-G453 CarbonylContact O-C 3.55Å; V427-G453 VanDerWaalsContact O-CA 3.26Å; V427-G453 WeakPolarHBondContact O-CA 3.34Å; V427-E454 WeakPolarHBondContact CG2-O 3.49Å; V427-E454 PolarHBondContact N-O 2.83Å; V427-E454 PolarHBondContact O-N 3.43Å; V427-V456 HydrophobicContact CB-CG2 4.42Å; V427-V456 HydrophobicContact CG1-CG2 3.73Å; V427-V456 HydrophobicContact CG2-CB 4.4Å; V427-V456 HydrophobicContact CG2-CG1 3.64Å; V427-V456 HydrophobicContact CG2-CG2 3.82Å; V427-V485 HydrophobicContact CG1-CG1 4.2Å; V427-F486 HydrophobicContact CG1-CE1 3.7Å; V427-F486 HydrophobicContact CG1-CZ 4.33Å
428	K	95	Very high	84.5	Confident	59 Å²	59	52.2 Å²	52.2	26%	0.257	26%	0.257	S	S	.	.			trans	-63.6	136.9	179.4	-64.7	-167	177.3	-160.2	0	110.1	I437 I445 E451	K428-I437 HydrophobicContact CB-CB 4.05Å; K428-I437 HydrophobicContact CB-CD1 4.09Å; K428-I437 HydrophobicContact CB-CG1 4.27Å; K428-I437 PolarHBondContact O-N 3.47Å; K428-I445 HydrophobicContact CB-CB 4.46Å; K428-I445 HydrophobicContact CD-CB 4.33Å; K428-I445 HydrophobicContact CD-CG2 3.86Å; K428-I445 HydrophobicContact CG-CB 4.36Å; K428-I445 HydrophobicContact CG-CG2 4.2Å; K428-I445 PolarHBondContact N-O 3Å; K428-E451 VanDerWaalsContact CE-CD 3.46Å; K428-E451 WeakPolarHBondContact CE-OE1 3.49Å; K428-E451 WeakPolarHBondContact CE-OE2 3.15Å; K428-E451 VanDerWaalsContact NZ-CD 3.27Å; K428-E451 IonicContact NZ-OE1 2.9Å; K428-E451 PolarHBondContact NZ-OE1 3.18Å; K428-E451 IonicContact NZ-OE2 3.47Å; K428-E451 PolarHBondContact NZ-OE2 3.25Å
429	V	91.7	Very high	85.2	Confident	16 Å²	16	53.8 Å²	53.8	10%	0.097	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.5	176.4	153.2	0	0	0	0	109.3	V427 E431 K435 L436 E454 I498	V427-V429 PolarHBondContact O-N 2.78Å; V429-E431 PolarHBondContact O-N 3.42Å; V429-K435 WeakPolarHBondContact CA-O 3.41Å; V429-L436 HydrophobicContact CG2-CD2 3.38Å; V429-E454 HydrophobicContact CG2-CB 3.59Å; V429-I498 HydrophobicContact CB-CD1 4.48Å; V429-I498 HydrophobicContact CG1-CD1 4.46Å
430	D	86.3	Confident	86.2	Confident	60 Å²	60	62.1 Å²	62.1	32%	0.321	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	108.4	164.2	177.2	-67.1	0	0	0	107.6	R432 T433 G434 K435 I437	D430-R432 PolarHBondContact O-N 3.07Å; D430-R432 WeakPolarHBondContact OD1-CB 3.39Å; D430-R432 PolarHBondContact OD1-N 3.03Å; D430-T433 WeakPolarHBondContact CB-OG1 3.38Å; D430-T433 PolarHBondContact O-N 3.41Å; D430-T433 WeakPolarHBondContact OD1-CB 3.27Å; D430-T433 WeakPolarHBondContact OD1-CG2 3.5Å; D430-T433 PolarHBondContact OD1-N 2.94Å; D430-T433 PolarHBondContact OD1-OG1 2.92Å; D430-G434 WeakPolarHBondContact O-CA 3.47Å; D430-G434 PolarHBondContact O-N 3.15Å; D430-K435 PolarHBondContact N-O 3.04Å; D430-I437 HydrophobicContact CB-CD1 4.5Å; D430-I437 HydrophobicContact CB-CG1 4.23Å
431	E	72.1	Confident	86.9	Confident	110 Å²	110	63 Å²	63	51%	0.514	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.5	-172.6	-62	169.5	145.8	0	0	112.9	V429 N523	V429-E431 PolarHBondContact O-N 3.42Å; E431-N523 VanDerWaalsContact CD-ND2 3.25Å; E431-N523 PolarHBondContact OE2-ND2 2.72Å
432	R	69.1	Low	87.8	Confident	210 Å²	210	61 Å²	61	79%	0.792	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-39.8	179	-172	-176.5	70.7	123.4	-0.5	111.7	D430	D430-R432 PolarHBondContact O-N 3.07Å; D430-R432 WeakPolarHBondContact OD1-CB 3.39Å; D430-R432 PolarHBondContact OD1-N 3.03Å
433	T	79.6	Confident	88.7	Confident	62 Å²	62	61.8 Å²	61.8	38%	0.38	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-14.5	-171.8	62.4	0	0	0	0	113.3	D430 K435	D430-T433 WeakPolarHBondContact CB-OG1 3.38Å; D430-T433 PolarHBondContact O-N 3.41Å; D430-T433 WeakPolarHBondContact OD1-CB 3.27Å; D430-T433 WeakPolarHBondContact OD1-CG2 3.5Å; D430-T433 PolarHBondContact OD1-N 2.94Å; D430-T433 PolarHBondContact OD1-OG1 2.92Å; T433-K435 PolarHBondContact O-N 3.06Å; T433-K435 WeakPolarHBondContact OG1-CB 3.24Å; T433-K435 PolarHBondContact OG1-N 3.14Å
434	G	79.7	Confident	89.3	Confident	16 Å²	16	61.4 Å²	61.4	17%	0.165	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	12.8	-171.5	0	0	0	0	0	113.4	D430 R494	D430-G434 WeakPolarHBondContact O-CA 3.47Å; D430-G434 PolarHBondContact O-N 3.15Å; G434-R494 PolarHBondContact O-NH2 3.37Å
435	K	88	Confident	89.5	Confident	143 Å²	143	64 Å²	64	62%	0.622	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	144.1	180	-67.7	-176.5	178.3	-179.2	0	110.5	V429 D430 T433	V429-K435 WeakPolarHBondContact CA-O 3.41Å; D430-K435 PolarHBondContact N-O 3.04Å; T433-K435 PolarHBondContact O-N 3.06Å; T433-K435 WeakPolarHBondContact OG1-CB 3.24Å; T433-K435 PolarHBondContact OG1-N 3.14Å
436	L	92.7	Very high	89.6	Confident	17 Å²	17	66.6 Å²	66.6	9%	0.089	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.5	175	-53.4	-174.5	0	0	0	110.2	V427 V429 C444 E454 E482	V427-L436 HydrophobicContact CG2-CD1 4.23Å; V427-L436 HydrophobicContact CG2-CD2 3.78Å; V429-L436 HydrophobicContact CG2-CD2 3.38Å; L436-C444 VanDerWaalsContact CD1-SG 3.54Å; L436-E454 HydrophobicContact CD2-CB 4.36Å; L436-E482 HydrophobicContact CD1-CB 4.37Å; L436-E482 HydrophobicContact CD1-CG 3.71Å
437	I	94.6	Very high	89.6	Confident	66 Å²	66	67 Å²	67	34%	0.338	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-82.1	130.1	176.8	-53	-177.8	0	0	0	108.9	K428 D430 C444 I445	K428-I437 HydrophobicContact CB-CB 4.05Å; K428-I437 HydrophobicContact CB-CD1 4.09Å; K428-I437 HydrophobicContact CB-CG1 4.27Å; K428-I437 PolarHBondContact O-N 3.47Å; D430-I437 HydrophobicContact CB-CD1 4.5Å; D430-I437 HydrophobicContact CB-CG1 4.23Å; I437-C444 WeakPolarHBondContact O-CA 3.46Å; I437-I445 HydrophobicContact CG2-CD1 3.84Å; I437-I445 PolarHBondContact O-N 3.27Å
438	R	95.2	Very high	89.5	Confident	80 Å²	80	71.1 Å²	71.1	30%	0.302	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-114.1	149.9	-176.7	-65.4	174.3	177.3	-81.9	-0.3	111.6	G442 L443 E482 R483 N484	R438-G442 WeakPolarHBondContact CD-O 3.36Å; R438-G442 PolarHBondContact NH1-O 2.87Å; R438-L443 CarbonylContact C-O 3.52Å; R438-L443 WeakPolarHBondContact CA-O 3.49Å; R438-L443 WeakPolarHBondContact CB-O 3.46Å; R438-E482 IonicContact CZ-OE1 3.12Å; R438-E482 IonicContact NH2-OE1 3.91Å; R438-E482 PolarHBondContact NH2-OE1 3.34Å; R438-R483 PolarHBondContact NH1-O 3.23Å; R438-R483 PolarHBondContact NH2-O 2.98Å; R438-N484 PolarHBondContact NH1-O 2.91Å
439	N	94.7	Very high	89.3	Confident	61 Å²	61	71 Å²	71	33%	0.326	35%	0.354	S	S	.	.			trans	-81.7	-179.8	173.2	73.6	1.1	0	0	0	111.1	D441 G442 L443 I445	N439-D441 PolarHBondContact ND2-OD2 3.32Å; N439-D441 PolarHBondContact O-N 3.38Å; N439-D441 WeakPolarHBondContact OD1-CA 3.26Å; N439-D441 PolarHBondContact OD1-N 3.11Å; N439-G442 PolarHBondContact O-N 3Å; N439-G442 PolarHBondContact OD1-N 3.44Å; N439-L443 PolarHBondContact N-O 2.98Å; N439-L443 PolarHBondContact OD1-N 3.06Å; N439-L443 PolarHBondContact OD1-O 2.61Å; N439-I445 HydrophobicContact CB-CD1 4.48Å; N439-I445 HydrophobicContact CB-CG1 4.06Å
440	K	93.5	Very high	89.2	Confident	198 Å²	198	73.1 Å²	73.1	86%	0.861	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.3	177.5	61.5	178	-176.6	175.2	0	114.8	G442	K440-G442 PolarHBondContact O-N 3.47Å
441	D	91.4	Very high	89.6	Confident	101 Å²	101	73.2 Å²	73.2	54%	0.54	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3.9	178.7	-47	-51	0	0	0	111.8	N439 L443	N439-D441 PolarHBondContact ND2-OD2 3.32Å; N439-D441 PolarHBondContact O-N 3.38Å; N439-D441 WeakPolarHBondContact OD1-CA 3.26Å; N439-D441 PolarHBondContact OD1-N 3.11Å; D441-L443 VanDerWaalsContact C-N 3.3Å; D441-L443 PolarHBondContact O-N 2.97Å
442	G	92.9	Very high	90.5	Very high	32 Å²	32	69.7 Å²	69.7	33%	0.33	37%	0.365	S	S	.	.	S	Bend	trans	77.4	8.6	-178.3	0	0	0	0	0	114.5	R438 N439 K440	R438-G442 WeakPolarHBondContact CD-O 3.36Å; R438-G442 PolarHBondContact NH1-O 2.87Å; N439-G442 PolarHBondContact O-N 3Å; N439-G442 PolarHBondContact OD1-N 3.44Å; K440-G442 PolarHBondContact O-N 3.47Å
443	L	95.1	Very high	91.7	Very high	30 Å²	30	59.8 Å²	59.8	16%	0.157	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-91.7	150.8	178.6	-58.8	178.1	0	0	0	111.7	R438 N439 D441 N484	R438-L443 CarbonylContact C-O 3.52Å; R438-L443 WeakPolarHBondContact CA-O 3.49Å; R438-L443 WeakPolarHBondContact CB-O 3.46Å; N439-L443 PolarHBondContact N-O 2.98Å; N439-L443 PolarHBondContact OD1-N 3.06Å; N439-L443 PolarHBondContact OD1-O 2.61Å; D441-L443 VanDerWaalsContact C-N 3.3Å; D441-L443 PolarHBondContact O-N 2.97Å; L443-N484 WeakPolarHBondContact CA-O 3.48Å; L443-N484 HydrophobicContact CD2-CB 4.1Å
444	C	95.3	Very high	92.4	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.061	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-67.5	138.8	177.3	-63.9	0	0	0	0	111.8	V427 L436 I437 R446 V485	V427-C444 HydrophobicContact CB-CB 4.1Å; V427-C444 HydrophobicContact CG1-CB 3.76Å; L436-C444 VanDerWaalsContact CD1-SG 3.54Å; I437-C444 WeakPolarHBondContact O-CA 3.46Å; C444-R446 PolarHBondContact O-N 2.68Å; C444-V485 HydrophobicContact CB-CG1 4.05Å; C444-V485 WeakPolarHBondContact CB-O 3.49Å; C444-V485 PolarHBondContact N-O 3.03Å
445	I	94.3	Very high	93	Very high	59 Å²	59	56.1 Å²	56.1	30%	0.303	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-79.4	122.8	178.4	-56.1	179.2	0	0	0	108.8	V427 K428 I437 N439	V427-I445 CarbonylContact C-O 3.55Å; V427-I445 VanDerWaalsContact CA-O 3.27Å; V427-I445 WeakPolarHBondContact CA-O 3.49Å; K428-I445 HydrophobicContact CB-CB 4.46Å; K428-I445 HydrophobicContact CD-CB 4.33Å; K428-I445 HydrophobicContact CD-CG2 3.86Å; K428-I445 HydrophobicContact CG-CB 4.36Å; K428-I445 HydrophobicContact CG-CG2 4.2Å; K428-I445 PolarHBondContact N-O 3Å; I437-I445 HydrophobicContact CG2-CD1 3.84Å; I437-I445 PolarHBondContact O-N 3.27Å; N439-I445 HydrophobicContact CB-CD1 4.48Å; N439-I445 HydrophobicContact CB-CG1 4.06Å
446	R	92.8	Very high	93.3	Very high	61 Å²	61	49.3 Å²	49.3	23%	0.23	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-72.2	142.5	173.7	-74.1	-173.1	-179.5	-151.4	-5.3	111	R416 S419 L426 C444 F486	R416-R446 VanDerWaalsContact NH2-CD 3.34Å; R416-R446 VanDerWaalsContact NH2-NH1 3.11Å; S419-R446 PolarHBondContact OG-NH1 3.33Å; S419-R446 VanDerWaalsContact OG-NH1 3.1Å; L426-R446 WeakPolarHBondContact O-CA 3.26Å; C444-R446 PolarHBondContact O-N 2.68Å; R446-F486 HydrophobicContact CG-CD1 4Å; R446-F486 HydrophobicContact CG-CE1 3.71Å; R446-F486 VanDerWaalsContact NH2-CD1 3.32Å; R446-F486 VanDerWaalsContact NH2-CD2 3.34Å
447	C	93.6	Very high	93.3	Very high	17 Å²	17	48.5 Å²	48.5	12%	0.115	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-72.4	146.8	170.9	-58.9	0	0	0	0	111	L426 V427 E451	L426-C447 HydrophobicContact CB-CB 3.84Å; L426-C447 PolarHBondContact O-N 3.17Å; V427-C447 VanDerWaalsContact C-SG 3.53Å; C447-E451 WeakPolarHBondContact CA-OE2 3.24Å; C447-E451 HydrophobicContact CB-CB 3.98Å
448	V	91.3	Very high	93.1	Very high	86 Å²	86	46.4 Å²	46.4	52%	0.521	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-93.2	165.1	166	-62.1	0	0	0	0	110.4	G450 E451	V448-G450 PolarHBondContact O-N 2.72Å; V448-E451 VanDerWaalsContact CG2-CD 3.44Å; V448-E451 HydrophobicContact CG2-CG 3.78Å; V448-E451 WeakPolarHBondContact CG2-OE2 3.26Å; V448-E451 PolarHBondContact N-OE2 3.14Å; V448-E451 WeakPolarHBondContact O-CB 3.47Å; V448-E451 PolarHBondContact O-N 3.17Å; V448-E451 VanDerWaalsContact O-N 3.08Å
449	P	91.3	Very high	93	Very high	58 Å²	58	43.8 Å²	43.8	38%	0.377	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	137.4	174.1	-28.6	36.2	0	0	0	112.6	E451 M501 E503	P449-E451 VanDerWaalsContact C-N 3.3Å; P449-E451 PolarHBondContact O-N 3.42Å; P449-M501 CarbonylContact C-O 3.47Å; P449-M501 VanDerWaalsContact CA-O 3.27Å; P449-M501 WeakPolarHBondContact CA-O 2.95Å; P449-M501 HydrophobicContact CG-CE 4.05Å; P449-E503 HydrophobicContact CB-CG 4.17Å
450	G	90.6	Very high	92.6	Very high	60 Å²	60	43.9 Å²	43.9	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-22.8	-175.4	0	0	0	0	0	114.8	V448 M501	V448-G450 PolarHBondContact O-N 2.72Å; G450-M501 PolarHBondContact N-O 3.33Å
451	E	93.2	Very high	92.1	Very high	61 Å²	61	44.4 Å²	44.4	29%	0.285	25%	0.251	S	S	.	.			trans	-80.4	141.7	177	-66.6	-177.5	150.1	0	0	111.7	K428 C447 V448 P449 H500	K428-E451 VanDerWaalsContact CE-CD 3.46Å; K428-E451 WeakPolarHBondContact CE-OE1 3.49Å; K428-E451 WeakPolarHBondContact CE-OE2 3.15Å; K428-E451 VanDerWaalsContact NZ-CD 3.27Å; K428-E451 IonicContact NZ-OE1 2.9Å; K428-E451 PolarHBondContact NZ-OE1 3.18Å; K428-E451 IonicContact NZ-OE2 3.47Å; K428-E451 PolarHBondContact NZ-OE2 3.25Å; C447-E451 WeakPolarHBondContact CA-OE2 3.24Å; C447-E451 HydrophobicContact CB-CB 3.98Å; V448-E451 VanDerWaalsContact CG2-CD 3.44Å; V448-E451 HydrophobicContact CG2-CG 3.78Å; V448-E451 WeakPolarHBondContact CG2-OE2 3.26Å; V448-E451 PolarHBondContact N-OE2 3.14Å; V448-E451 WeakPolarHBondContact O-CB 3.47Å; V448-E451 PolarHBondContact O-N 3.17Å; V448-E451 VanDerWaalsContact O-N 3.08Å; P449-E451 VanDerWaalsContact C-N 3.3Å; P449-E451 PolarHBondContact O-N 3.42Å; E451-H500 WeakPolarHBondContact O-CB 3.32Å
452	S	92	Very high	91.4	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	143.9	171.2	-58.6	0	0	0	0	110.5	L499 K510	S452-L499 CarbonylContact C-O 3.55Å; S452-L499 WeakPolarHBondContact CA-O 3.44Å; S452-K510 PolarHBondContact OG-NZ 2.88Å
453	G	93.4	Very high	90.8	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	169.4	176.2	0	0	0	0	0	112.7	V427 I498 L499	V427-G453 CarbonylContact O-C 3.55Å; V427-G453 VanDerWaalsContact O-CA 3.26Å; V427-G453 WeakPolarHBondContact O-CA 3.34Å; G453-I498 WeakPolarHBondContact O-CA 3.46Å; G453-L499 PolarHBondContact N-O 3.09Å; G453-L499 PolarHBondContact O-N 2.97Å; G453-L499 VanDerWaalsContact O-O 3.11Å
454	E	93.7	Very high	89.8	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.6	176.9	-175.3	178.8	150.1	0	0	110.3	L426 V427 V429 L436 R494 G496 D497 I498	L426-E454 WeakPolarHBondContact CA-O 3.38Å; V427-E454 WeakPolarHBondContact CG2-O 3.49Å; V427-E454 PolarHBondContact N-O 2.83Å; V427-E454 PolarHBondContact O-N 3.43Å; V429-E454 HydrophobicContact CG2-CB 3.59Å; L436-E454 HydrophobicContact CD2-CB 4.36Å; E454-R494 WeakPolarHBondContact OE1-CB 3.35Å; E454-R494 IonicContact OE1-CZ 3.58Å; E454-R494 IonicContact OE1-NE 3.83Å; E454-R494 PolarHBondContact OE1-NE 2.91Å; E454-R494 IonicContact OE1-NH2 3.52Å; E454-R494 IonicContact OE2-CZ 3.21Å; E454-R494 IonicContact OE2-NE 3.51Å; E454-R494 PolarHBondContact OE2-NE 3.37Å; E454-R494 IonicContact OE2-NH2 3.57Å; E454-R494 PolarHBondContact OE2-NH2 2.88Å; E454-G496 PolarHBondContact OE1-N 3.15Å; E454-D497 WeakPolarHBondContact CA-O 3.11Å; E454-I498 HydrophobicContact CB-CD1 4.03Å
455	L	93.3	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.4	172.3	-175.6	83.6	0	0	0	111.3	Y388 T395 I399 L426 S495 D497 L499	Y388-L455 HydrophobicContact CD1-CD2 3.91Å; Y388-L455 HydrophobicContact CE1-CD2 3.16Å; T395-L455 HydrophobicContact CG2-CD2 3.89Å; I399-L455 HydrophobicContact CD1-CD1 3.69Å; I399-L455 HydrophobicContact CD1-CD2 3.25Å; I399-L455 HydrophobicContact CD1-CG 4.1Å; L426-L455 HydrophobicContact CD2-CB 3.94Å; L426-L455 HydrophobicContact CD2-CD1 3.81Å; L455-S495 WeakPolarHBondContact O-CB 3.32Å; L455-S495 PolarHBondContact O-N 3.12Å; L455-S495 PolarHBondContact O-OG 2.91Å; L455-D497 PolarHBondContact N-O 3.06Å; L455-D497 VanDerWaalsContact N-O 3.14Å; L455-L499 HydrophobicContact CB-CD1 4.01Å
456	V	94	Very high	88.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.9	174.7	-63.8	0	0	0	0	111.3	I424 G425 V427 V485 F486 A492 F493 R494	I424-V456 CarbonylContact C-O 3.52Å; I424-V456 VanDerWaalsContact CA-O 3.23Å; I424-V456 WeakPolarHBondContact CA-O 3.34Å; G425-V456 PolarHBondContact N-O 3.37Å; G425-V456 WeakPolarHBondContact O-CG2 3.49Å; G425-V456 PolarHBondContact O-N 2.97Å; V427-V456 HydrophobicContact CB-CG2 4.42Å; V427-V456 HydrophobicContact CG1-CG2 3.73Å; V427-V456 HydrophobicContact CG2-CB 4.4Å; V427-V456 HydrophobicContact CG2-CG1 3.64Å; V427-V456 HydrophobicContact CG2-CG2 3.82Å; V456-V485 HydrophobicContact CB-CG1 4.39Å; V456-V485 HydrophobicContact CG2-CG1 3.7Å; V456-F486 HydrophobicContact CG2-CE1 4.21Å; V456-F486 HydrophobicContact CG2-CE2 4.16Å; V456-F486 HydrophobicContact CG2-CZ 3.58Å; V456-A492 HydrophobicContact CB-CB 4.22Å; V456-F493 VanDerWaalsContact CA-O 3.27Å; V456-F493 WeakPolarHBondContact CA-O 3.27Å; V456-R494 HydrophobicContact CG1-CG 4.21Å
457	G	92.5	Very high	87.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	119.3	178.1	0	0	0	0	0	112.9	N394 V459 A492 F493	N394-G457 PolarHBondContact ND2-O 3.3Å; N394-G457 VanDerWaalsContact ND2-O 3.13Å; G457-V459 PolarHBondContact O-N 3.14Å; G457-A492 CarbonylContact O-C 3.58Å; G457-A492 VanDerWaalsContact O-CA 3.31Å; G457-A492 WeakPolarHBondContact O-CA 3.42Å; G457-F493 PolarHBondContact N-O 3.48Å; G457-F493 PolarHBondContact O-N 3.1Å
458	V	92	Very high	87.4	Confident	22 Å²	22	39.1 Å²	39.1	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	129.5	179.8	-177.2	0	0	0	0	109.9	N394 P423 F486 D490 I491	N394-V458 PolarHBondContact ND2-O 3.5Å; N394-V458 VanDerWaalsContact ND2-O 3.09Å; P423-V458 HydrophobicContact CB-CB 4.02Å; P423-V458 HydrophobicContact CB-CG2 4.29Å; P423-V458 WeakPolarHBondContact O-CG2 2.87Å; P423-V458 PolarHBondContact O-N 3.48Å; V458-F486 HydrophobicContact CG2-CD2 3.53Å; V458-F486 HydrophobicContact CG2-CE2 3.94Å; V458-D490 HydrophobicContact CG1-CB 4.23Å; V458-I491 CarbonylContact C-O 3.57Å; V458-I491 WeakPolarHBondContact CA-O 3.42Å
459	V	91.4	Very high	87.1	Confident	25 Å²	25	36.5 Å²	36.5	15%	0.152	22%	0.215	C	C	.	.			trans	-81.3	120.6	178.6	-178.5	0	0	0	0	109.2	G457 R461 K466 F468 L481 I491 F493	G457-V459 PolarHBondContact O-N 3.14Å; V459-R461 HydrophobicContact CG1-CG 4.49Å; V459-K466 WeakPolarHBondContact CA-O 3.37Å; V459-F468 HydrophobicContact CG1-CB 4.01Å; V459-F468 HydrophobicContact CG2-CB 3.81Å; V459-L481 HydrophobicContact CG2-CD2 3.87Å; V459-I491 PolarHBondContact N-O 2.61Å; V459-F493 HydrophobicContact CG2-CB 4.21Å
460	V	86.8	Confident	87	Confident	63 Å²	63	33.9 Å²	33.9	38%	0.382	20%	0.198	S	C	.	.			trans	-113.2	100.1	171.6	-175.4	0	0	0	0	108.2	G462 N463 K466	V460-G462 PolarHBondContact O-N 3.42Å; V460-N463 HydrophobicContact CB-CB 4.32Å; V460-N463 HydrophobicContact CG1-CB 4.16Å; V460-N463 PolarHBondContact O-N 3.11Å; V460-K466 HydrophobicContact CB-CB 3.75Å; V460-K466 HydrophobicContact CB-CD 4.33Å; V460-K466 HydrophobicContact CG2-CB 3.98Å; V460-K466 HydrophobicContact CG2-CD 4.01Å; V460-K466 PolarHBondContact N-O 3.22Å
461	R	83.3	Confident	86.9	Confident	208 Å²	208	31.5 Å²	31.5	79%	0.785	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	134.7	-176.2	-70.4	-167.2	177.6	-154	-0.5	111.6	V459 N463	V459-R461 HydrophobicContact CG1-CG 4.49Å; R461-N463 VanDerWaalsContact C-N 3.27Å; R461-N463 PolarHBondContact O-N 2.87Å
462	G	76.2	Confident	86.7	Confident	46 Å²	46	31.7 Å²	31.7	47%	0.474	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-4.6	179	0	0	0	0	0	115.2	V460 P464 D467	V460-G462 PolarHBondContact O-N 3.42Å; G462-P464 WeakPolarHBondContact O-CD 3.36Å; G462-D467 PolarHBondContact N-OD2 3.13Å
463	N	80.8	Confident	86.6	Confident	44 Å²	44	31.9 Å²	31.9	24%	0.235	17%	0.174	C	C	.	.			trans	-97.9	107.1	169.8	-178.4	-42.1	0	0	0	109.3	V460 R461 V465 K466 D467	V460-N463 HydrophobicContact CB-CB 4.32Å; V460-N463 HydrophobicContact CG1-CB 4.16Å; V460-N463 PolarHBondContact O-N 3.11Å; R461-N463 VanDerWaalsContact C-N 3.27Å; R461-N463 PolarHBondContact O-N 2.87Å; N463-V465 PolarHBondContact O-N 3.11Å; N463-V465 WeakPolarHBondContact OD1-CB 3.26Å; N463-V465 PolarHBondContact OD1-N 2.67Å; N463-K466 HydrophobicContact CB-CB 4.24Å; N463-K466 CarbonylContact O-C 3.39Å; N463-K466 PolarHBondContact O-N 2.88Å; N463-K466 PolarHBondContact OD1-N 2.87Å; N463-D467 WeakPolarHBondContact O-CB 3.33Å; N463-D467 PolarHBondContact O-N 3.33Å
464	P	73.3	Confident	86.3	Confident	26 Å²	26	38.2 Å²	38.2	17%	0.169	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.2	-174.9	-28.5	35.6	0	0	0	115	A265 M269 G462	A265-P464 HydrophobicContact CB-CB 3.98Å; A265-P464 HydrophobicContact CB-CG 3.84Å; M269-P464 HydrophobicContact SD-CB 4.41Å; G462-P464 WeakPolarHBondContact O-CD 3.36Å
465	V	74.6	Confident	86.1	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.03	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-33.5	178.9	-174.7	0	0	0	0	112.5	L59 V62 Q63 M269 L398 N463	L59-V465 HydrophobicContact CD1-CG1 4.4Å; V62-V465 HydrophobicContact CG1-CG2 4.32Å; Q63-V465 HydrophobicContact CG-CG2 4.3Å; M269-V465 HydrophobicContact CG-CG2 4.28Å; M269-V465 WeakPolarHBondContact SD-CA 3.43Å; M269-V465 HydrophobicContact SD-CB 4.17Å; M269-V465 HydrophobicContact SD-CG2 3.97Å; L398-V465 HydrophobicContact CD2-CG1 4.49Å; N463-V465 PolarHBondContact O-N 3.11Å; N463-V465 WeakPolarHBondContact OD1-CB 3.26Å; N463-V465 PolarHBondContact OD1-N 2.67Å
466	K	81.2	Confident	85.7	Confident	25 Å²	25	43.4 Å²	43.4	11%	0.109	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-5.9	-169.8	-63.6	174.4	178.2	-173.3	0	112.9	N394 L421 P423 V459 V460 N463	N394-K466 PolarHBondContact ND2-O 2.83Å; L421-K466 PolarHBondContact O-NZ 2.81Å; P423-K466 HydrophobicContact CG-CD 3.91Å; P423-K466 HydrophobicContact CG-CG 4.25Å; V459-K466 WeakPolarHBondContact CA-O 3.37Å; V460-K466 HydrophobicContact CB-CB 3.75Å; V460-K466 HydrophobicContact CB-CD 4.33Å; V460-K466 HydrophobicContact CG2-CB 3.98Å; V460-K466 HydrophobicContact CG2-CD 4.01Å; V460-K466 PolarHBondContact N-O 3.22Å; N463-K466 HydrophobicContact CB-CB 4.24Å; N463-K466 CarbonylContact O-C 3.39Å; N463-K466 PolarHBondContact O-N 2.88Å; N463-K466 PolarHBondContact OD1-N 2.87Å
467	D	84.6	Confident	85.5	Confident	37 Å²	37	44.6 Å²	44.6	20%	0.198	24%	0.242	C	C	.	.			trans	-83.8	154.9	-177.6	-154.5	-3.8	0	0	0	111.8	N394 G462 N463	N394-D467 WeakPolarHBondContact CB-O 3.43Å; G462-D467 PolarHBondContact N-OD2 3.13Å; N463-D467 WeakPolarHBondContact O-CB 3.33Å; N463-D467 PolarHBondContact O-N 3.33Å
468	F	86.1	Confident	85.5	Confident	15 Å²	15	51 Å²	51	7%	0.066	27%	0.27	C	S	.	.			trans	-118.6	100.8	176.1	175.2	-114.9	0	0	0	108.4	E392 V459 G470 T477 K480 L481 F493	E392-F468 HydrophobicContact CB-CE2 3.78Å; E392-F468 HydrophobicContact CG-CE2 3.77Å; E392-F468 HydrophobicContact CG-CZ 4.48Å; E392-F468 WeakPolarHBondContact O-CD2 3.25Å; E392-F468 WeakPolarHBondContact O-CE2 3.3Å; V459-F468 HydrophobicContact CG1-CB 4.01Å; V459-F468 HydrophobicContact CG2-CB 3.81Å; F468-G470 PolarHBondContact O-N 3.4Å; F468-T477 HydrophobicContact CD1-CG2 4.27Å; F468-T477 HydrophobicContact CE1-CG2 3.69Å; F468-K480 HydrophobicContact CE1-CB 4.27Å; F468-K480 HydrophobicContact CZ-CB 3.82Å; F468-K480 HydrophobicContact CZ-CG 4.43Å; F468-L481 HydrophobicContact CD1-CD1 4.31Å; F468-L481 HydrophobicContact CD1-CD2 3.63Å; F468-L481 HydrophobicContact CD1-CG 4.13Å; F468-L481 HydrophobicContact CE1-CD1 4.46Å; F468-L481 HydrophobicContact CE1-CD2 3.97Å; F468-L481 HydrophobicContact CE1-CG 4.1Å; F468-L481 HydrophobicContact CG-CD2 4.34Å; F468-F493 AromaticContact CD2-CD2 3.63Å; F468-F493 HydrophobicContact CD2-CD2 3.63Å; F468-F493 HydrophobicContact CD2-CE2 4.11Å; F468-F493 HydrophobicContact CD2-CG 4.31Å; F468-F493 AromaticContact CE2-CD2 3.45Å; F468-F493 HydrophobicContact CE2-CD2 3.45Å; F468-F493 VanDerWaalsContact CE2-CD2 3.45Å; F468-F493 AromaticContact CE2-CE2 3.56Å; F468-F493 HydrophobicContact CE2-CE2 3.56Å; F468-F493 HydrophobicContact CG-CD2 4.31Å; F468-F493 AromaticContact CZ-CD2 3.97Å; F468-F493 HydrophobicContact CZ-CD2 3.97Å; F468-F493 HydrophobicContact CZ-CE2 4.15Å
469	C	84.5	Confident	85.3	Confident	32 Å²	32	57.6 Å²	57.6	22%	0.216	29%	0.292	C	S	.	.			trans	-65.1	-24.2	-178.7	-61.4	0	0	0	0	112.7	K261	K261-C469 HydrophobicContact CB-CB 4.38Å; K261-C469 WeakPolarHBondContact CE-O 3.2Å; K261-C469 PolarHBondContact NZ-O 3.11Å; K261-C469 WeakPolarHBondContact O-CB 3.4Å
470	G	88.8	Confident	85.2	Confident	2 Å²	2	59 Å²	59	2%	0.021	30%	0.296	C	S	.	.			trans	73.2	-169.4	178.9	0	0	0	0	0	114.1	K261 F468	K261-G470 PolarHBondContact N-O 2.89Å; K261-G470 VanDerWaalsContact N-O 3.08Å; F468-G470 PolarHBondContact O-N 3.4Å
471	Y	89.8	Confident	85.5	Confident	11 Å²	11	58.3 Å²	58.3	4%	0.043	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-94.2	170.9	176.4	-59.5	-76	0	0	0	110.5	T250 K258 P259 A260 K261 E392 D476 T477 K480	T250-Y471 WeakPolarHBondContact OG1-CE1 3.43Å; K258-Y471 HydrophobicContact CB-CD1 4.12Å; K258-Y471 HydrophobicContact CB-CE1 4.41Å; P259-Y471 WeakPolarHBondContact O-CA 3.25Å; A260-Y471 HydrophobicContact CB-CD1 3.98Å; A260-Y471 HydrophobicContact CB-CE1 3.92Å; K261-Y471 VanDerWaalsContact CE-O 3.23Å; K261-Y471 WeakPolarHBondContact CE-O 3.13Å; K261-Y471 PolarHBondContact NZ-O 2.89Å; K261-Y471 VanDerWaalsContact NZ-O 3.14Å; E392-Y471 HydrophobicContact CB-CE1 4.31Å; E392-Y471 HydrophobicContact CG-CE2 4.44Å; E392-Y471 VanDerWaalsContact CG-OH 3.31Å; E392-Y471 WeakPolarHBondContact CG-OH 3.49Å; Y471-D476 HydrophobicContact CD2-CB 3.7Å; Y471-D476 HydrophobicContact CE2-CB 4.38Å; Y471-D476 HydrophobicContact CG-CB 4.09Å; Y471-T477 PolarHBondContact N-OG1 3.12Å; Y471-T477 PolarHBondContact O-OG1 2.94Å; Y471-K480 HydrophobicContact CE2-CG 4.01Å
472	L	88.8	Confident	86.1	Confident	65 Å²	65	50.9 Å²	50.9	34%	0.34	26%	0.264	S	S	.	.	S	Bend	trans	-64.6	-34.3	167.4	-163.6	69.3	0	0	0	111.4	A172 Y247 P259 K261	A172-L472 WeakPolarHBondContact O-CD2 3.2Å; Y247-L472 HydrophobicContact CE1-CD1 4.4Å; P259-L472 HydrophobicContact CG-CB 3.79Å; P259-L472 HydrophobicContact CG-CD2 4.22Å; P259-L472 PolarHBondContact O-N 2.97Å; P259-L472 VanDerWaalsContact O-N 3.11Å; K261-L472 HydrophobicContact CD-CD1 4.45Å
473	S	88.7	Confident	86.9	Confident	40 Å²	40	55.8 Å²	55.8	28%	0.28	27%	0.268	S	S	.	.	S	Bend	trans	-78.1	122.3	172.7	168.3	0	0	0	0	111.4	T475 D476 T477	S473-T475 VanDerWaalsContact C-N 3.31Å; S473-T475 PolarHBondContact O-N 2.82Å; S473-T475 PolarHBondContact OG-OG1 3.19Å; S473-D476 WeakPolarHBondContact CB-OD2 3.18Å; S473-D476 PolarHBondContact OG-N 2.97Å; S473-D476 PolarHBondContact OG-OD2 3.42Å; S473-T477 PolarHBondContact O-N 2.86Å; S473-T477 VanDerWaalsContact O-N 3.11Å; S473-T477 PolarHBondContact O-OG1 3.01Å
474	E	88.1	Confident	87.6	Confident	136 Å²	136	56.1 Å²	56.1	64%	0.636	27%	0.27	S	S	*	.	H	α-helix	trans	-64.9	-35.4	175	-73.9	-161.9	-178.3	0	0	112.8	T477 K478	E474-T477 WeakPolarHBondContact O-CB 3.44Å; E474-T477 PolarHBondContact O-N 2.93Å; E474-K478 WeakPolarHBondContact O-CG 3.39Å; E474-K478 PolarHBondContact O-N 2.8Å; E474-K478 IonicContact OE2-NZ 3.66Å; E474-K478 PolarHBondContact OE2-NZ 3.02Å; E474-K478 VanDerWaalsContact OE2-NZ 3.12Å
475	T	89.2	Confident	88.5	Confident	89 Å²	89	54.9 Å²	54.9	55%	0.546	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-42.2	-178.5	55.9	0	0	0	0	110.4	S473 T477 K478 R479	S473-T475 VanDerWaalsContact C-N 3.31Å; S473-T475 PolarHBondContact O-N 2.82Å; S473-T475 PolarHBondContact OG-OG1 3.19Å; T475-T477 VanDerWaalsContact C-N 3.33Å; T475-T477 PolarHBondContact O-N 3.23Å; T475-K478 PolarHBondContact O-N 2.9Å; T475-R479 WeakPolarHBondContact O-CG 3.42Å; T475-R479 PolarHBondContact O-N 2.9Å; T475-R479 VanDerWaalsContact O-N 3.1Å
476	D	85.5	Confident	89.3	Confident	21 Å²	21	56.1 Å²	56.1	11%	0.112	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-35.8	175.6	-67.1	-49.3	0	0	0	112.2	K258 Y471 S473 R479	K258-D476 HydrophobicContact CD-CB 4.16Å; K258-D476 VanDerWaalsContact CE-OD1 3.24Å; K258-D476 WeakPolarHBondContact CE-OD1 3.28Å; K258-D476 IonicContact NZ-OD1 3.12Å; K258-D476 PolarHBondContact NZ-OD1 3.48Å; K258-D476 IonicContact NZ-OD2 2.67Å; Y471-D476 HydrophobicContact CD2-CB 3.7Å; Y471-D476 HydrophobicContact CE2-CB 4.38Å; Y471-D476 HydrophobicContact CG-CB 4.09Å; S473-D476 WeakPolarHBondContact CB-OD2 3.18Å; S473-D476 PolarHBondContact OG-N 2.97Å; S473-D476 PolarHBondContact OG-OD2 3.42Å; D476-R479 IonicContact OD1-NH1 3.94Å
477	T	89.4	Confident	89.8	Confident	25 Å²	25	63.1 Å²	63.1	15%	0.153	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-49.1	174.1	-60	0	0	0	0	110.7	F468 Y471 S473 E474 T475 R479 K480 L481	F468-T477 HydrophobicContact CD1-CG2 4.27Å; F468-T477 HydrophobicContact CE1-CG2 3.69Å; Y471-T477 PolarHBondContact N-OG1 3.12Å; Y471-T477 PolarHBondContact O-OG1 2.94Å; S473-T477 PolarHBondContact O-N 2.86Å; S473-T477 VanDerWaalsContact O-N 3.11Å; S473-T477 PolarHBondContact O-OG1 3.01Å; E474-T477 WeakPolarHBondContact O-CB 3.44Å; E474-T477 PolarHBondContact O-N 2.93Å; T475-T477 VanDerWaalsContact C-N 3.33Å; T475-T477 PolarHBondContact O-N 3.23Å; T477-R479 VanDerWaalsContact C-N 3.31Å; T477-R479 PolarHBondContact O-N 3.08Å; T477-K480 PolarHBondContact O-N 3.12Å; T477-L481 HydrophobicContact CG2-CD1 4.48Å
478	K	91.4	Very high	90.1	Very high	134 Å²	134	67.1 Å²	67.1	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-62.5	-36.3	-179.4	-73.5	168.1	-176.6	160.4	0	112.2	E474 T475 K480 L481	E474-K478 WeakPolarHBondContact O-CG 3.39Å; E474-K478 PolarHBondContact O-N 2.8Å; E474-K478 IonicContact OE2-NZ 3.66Å; E474-K478 PolarHBondContact OE2-NZ 3.02Å; E474-K478 VanDerWaalsContact OE2-NZ 3.12Å; T475-K478 PolarHBondContact O-N 2.9Å; K478-K480 PolarHBondContact O-N 3.48Å; K478-L481 PolarHBondContact O-N 3.3Å; K478-L481 VanDerWaalsContact O-N 3.12Å
479	R	88.5	Confident	90.3	Very high	161 Å²	161	72.5 Å²	72.5	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-62.6	-24.6	177.9	-76.9	175.2	179.1	177.7	-0.2	114.3	T475 D476 T477	T475-R479 WeakPolarHBondContact O-CG 3.42Å; T475-R479 PolarHBondContact O-N 2.9Å; T475-R479 VanDerWaalsContact O-N 3.1Å; D476-R479 IonicContact OD1-NH1 3.94Å; T477-R479 VanDerWaalsContact C-N 3.31Å; T477-R479 PolarHBondContact O-N 3.08Å
480	K	90.3	Very high	90.7	Very high	55 Å²	55	72 Å²	72	24%	0.239	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.1	178.2	-74.1	-68.2	-168.6	165.5	0	113.5	E392 F468 Y471 T477 K478 F493 R494 S495	E392-K480 IonicContact OE1-NZ 3.97Å; F468-K480 HydrophobicContact CE1-CB 4.27Å; F468-K480 HydrophobicContact CZ-CB 3.82Å; F468-K480 HydrophobicContact CZ-CG 4.43Å; Y471-K480 HydrophobicContact CE2-CG 4.01Å; T477-K480 PolarHBondContact O-N 3.12Å; K478-K480 PolarHBondContact O-N 3.48Å; K480-F493 HydrophobicContact CB-CD2 4.09Å; K480-F493 HydrophobicContact CB-CE2 4.03Å; K480-F493 HydrophobicContact CD-CE2 4.05Å; K480-F493 HydrophobicContact CG-CE2 4.25Å; K480-F493 WeakPolarHBondContact O-CA 3.36Å; K480-R494 PolarHBondContact O-N 3.36Å; K480-S495 PolarHBondContact NZ-O 2.88Å
481	L	93.4	Very high	90.9	Very high	48 Å²	48	73.8 Å²	73.8	25%	0.251	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.1	-176.4	-64.6	178.9	0	0	0	111.2	V459 F468 T477 K478 I491 A492	V459-L481 HydrophobicContact CG2-CD2 3.87Å; F468-L481 HydrophobicContact CD1-CD1 4.31Å; F468-L481 HydrophobicContact CD1-CD2 3.63Å; F468-L481 HydrophobicContact CD1-CG 4.13Å; F468-L481 HydrophobicContact CE1-CD1 4.46Å; F468-L481 HydrophobicContact CE1-CD2 3.97Å; F468-L481 HydrophobicContact CE1-CG 4.1Å; F468-L481 HydrophobicContact CG-CD2 4.34Å; T477-L481 HydrophobicContact CG2-CD1 4.48Å; K478-L481 PolarHBondContact O-N 3.3Å; K478-L481 VanDerWaalsContact O-N 3.12Å; L481-I491 HydrophobicContact CB-CG2 4.05Å; L481-I491 HydrophobicContact CD1-CG2 4.26Å; L481-I491 HydrophobicContact CD2-CG2 4Å; L481-I491 HydrophobicContact CG-CG2 4.33Å; L481-A492 WeakPolarHBondContact CA-O 3.41Å
482	E	94.5	Very high	91.1	Very high	51 Å²	51	73.3 Å²	73.3	24%	0.238	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145	175.1	-168.4	73.4	-136.5	0	0	109.7	L436 R438 V485 I491 A492 R494	L436-E482 HydrophobicContact CD1-CB 4.37Å; L436-E482 HydrophobicContact CD1-CG 3.71Å; R438-E482 IonicContact CZ-OE1 3.12Å; R438-E482 IonicContact NH2-OE1 3.91Å; R438-E482 PolarHBondContact NH2-OE1 3.34Å; E482-V485 HydrophobicContact CB-CG2 3.92Å; E482-V485 HydrophobicContact CG-CG2 3.87Å; E482-I491 CarbonylContact O-C 3.58Å; E482-I491 VanDerWaalsContact O-CA 3.31Å; E482-I491 WeakPolarHBondContact O-CA 3.33Å; E482-A492 PolarHBondContact N-O 3.31Å; E482-A492 PolarHBondContact O-N 3.42Å; E482-R494 HydrophobicContact CB-CG 3.96Å; E482-R494 IonicContact OE2-NH1 2.8Å; E482-R494 PolarHBondContact OE2-NH1 3Å
483	R	94.4	Very high	91.4	Very high	149 Å²	149	70.2 Å²	70.2	56%	0.562	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	157	177.7	-66.9	-177.5	173.5	-90.9	4.3	111.6	R438 V485 D490 I491	R438-R483 PolarHBondContact NH1-O 3.23Å; R438-R483 PolarHBondContact NH2-O 2.98Å; R483-V485 PolarHBondContact O-N 2.99Å; R483-D490 WeakPolarHBondContact CA-O 3.09Å; R483-I491 HydrophobicContact CG-CG1 4.32Å
484	N	94.2	Very high	91.6	Very high	52 Å²	52	70.4 Å²	70.4	28%	0.278	32%	0.323	S	S	.	.	S	Bend	trans	57.9	50.3	172.9	-55.1	-37	0	0	0	111.9	R438 L443 R487 N489 D490	R438-N484 PolarHBondContact NH1-O 2.91Å; L443-N484 WeakPolarHBondContact CA-O 3.48Å; L443-N484 HydrophobicContact CD2-CB 4.1Å; N484-R487 WeakPolarHBondContact CA-O 3.44Å; N484-N489 PolarHBondContact OD1-N 2.91Å; N484-D490 WeakPolarHBondContact CA-OD1 3.17Å; N484-D490 PolarHBondContact N-O 3.31Å; N484-D490 PolarHBondContact N-OD1 3.01Å
485	V	93.6	Very high	91.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-86.4	-62.3	-174.4	-178.3	0	0	0	0	110.5	V427 C444 V456 E482 R483 D490 A492	V427-V485 HydrophobicContact CG1-CG1 4.2Å; C444-V485 HydrophobicContact CB-CG1 4.05Å; C444-V485 WeakPolarHBondContact CB-O 3.49Å; C444-V485 PolarHBondContact N-O 3.03Å; V456-V485 HydrophobicContact CB-CG1 4.39Å; V456-V485 HydrophobicContact CG2-CG1 3.7Å; E482-V485 HydrophobicContact CB-CG2 3.92Å; E482-V485 HydrophobicContact CG-CG2 3.87Å; R483-V485 PolarHBondContact O-N 2.99Å; V485-D490 PolarHBondContact N-OD1 3.02Å; V485-A492 HydrophobicContact CB-CB 4.03Å; V485-A492 HydrophobicContact CG1-CB 4.17Å; V485-A492 HydrophobicContact CG2-CB 3.69Å
486	F	90.5	Very high	91.6	Very high	30 Å²	30	61 Å²	61	13%	0.132	28%	0.28	C	S	.	.	S	Bend	trans	-106.8	-26.8	177.8	-59.3	-47.3	0	0	0	113.1	V427 R446 V456 V458 D490	V427-F486 HydrophobicContact CG1-CE1 3.7Å; V427-F486 HydrophobicContact CG1-CZ 4.33Å; R446-F486 HydrophobicContact CG-CD1 4Å; R446-F486 HydrophobicContact CG-CE1 3.71Å; R446-F486 VanDerWaalsContact NH2-CD1 3.32Å; R446-F486 VanDerWaalsContact NH2-CD2 3.34Å; V456-F486 HydrophobicContact CG2-CE1 4.21Å; V456-F486 HydrophobicContact CG2-CE2 4.16Å; V456-F486 HydrophobicContact CG2-CZ 3.58Å; V458-F486 HydrophobicContact CG2-CD2 3.53Å; V458-F486 HydrophobicContact CG2-CE2 3.94Å; F486-D490 WeakPolarHBondContact CA-OD2 3.29Å; F486-D490 WeakPolarHBondContact CB-OD2 3.36Å; F486-D490 PolarHBondContact N-OD2 2.77Å
487	R	90.9	Very high	91.8	Very high	173 Å²	173	60.8 Å²	60.8	65%	0.653	28%	0.279	S	S	*	.	S	Bend	trans	-141.6	155.1	178.6	-60.9	-178.7	-177.5	178.6	-0.5	109.4	N484 N489 D490	N484-R487 WeakPolarHBondContact CA-O 3.44Å; R487-N489 PolarHBondContact O-N 2.78Å; R487-D490 PolarHBondContact N-OD2 3.1Å; R487-D490 PolarHBondContact O-N 3.08Å
488	L	90.6	Very high	91.8	Very high	121 Å²	121	60.6 Å²	60.6	63%	0.634	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	137.3	170.7	-88.1	120.9	0	0	0	110.5	D490	L488-D490 PolarHBondContact O-N 3.14Å
489	N	91	Very high	91.9	Very high	128 Å²	128	54.2 Å²	54.2	68%	0.684	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	3.2	-179.9	-56.6	-45.4	0	0	0	116.7	N484 R487	N484-N489 PolarHBondContact OD1-N 2.91Å; R487-N489 PolarHBondContact O-N 2.78Å
490	D	92.9	Very high	92.1	Very high	22 Å²	22	49.6 Å²	49.6	12%	0.118	23%	0.234	C	C	.	.			trans	-69	156.3	167.4	73.9	6	0	0	0	110.8	V458 R483 N484 V485 F486 R487 L488	V458-D490 HydrophobicContact CG1-CB 4.23Å; R483-D490 WeakPolarHBondContact CA-O 3.09Å; N484-D490 WeakPolarHBondContact CA-OD1 3.17Å; N484-D490 PolarHBondContact N-O 3.31Å; N484-D490 PolarHBondContact N-OD1 3.01Å; V485-D490 PolarHBondContact N-OD1 3.02Å; F486-D490 WeakPolarHBondContact CA-OD2 3.29Å; F486-D490 WeakPolarHBondContact CB-OD2 3.36Å; F486-D490 PolarHBondContact N-OD2 2.77Å; R487-D490 PolarHBondContact N-OD2 3.1Å; R487-D490 PolarHBondContact O-N 3.08Å; L488-D490 PolarHBondContact O-N 3.14Å
491	I	94	Very high	92.3	Very high	39 Å²	39	48.6 Å²	48.6	20%	0.2	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.8	175	-55.6	179.4	0	0	0	106.2	V458 V459 L481 E482 R483	V458-I491 CarbonylContact C-O 3.57Å; V458-I491 WeakPolarHBondContact CA-O 3.42Å; V459-I491 PolarHBondContact N-O 2.61Å; L481-I491 HydrophobicContact CB-CG2 4.05Å; L481-I491 HydrophobicContact CD1-CG2 4.26Å; L481-I491 HydrophobicContact CD2-CG2 4Å; L481-I491 HydrophobicContact CG-CG2 4.33Å; E482-I491 CarbonylContact O-C 3.58Å; E482-I491 VanDerWaalsContact O-CA 3.31Å; E482-I491 WeakPolarHBondContact O-CA 3.33Å; R483-I491 HydrophobicContact CG-CG1 4.32Å
492	A	94	Very high	92.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.3	176.3	0	0	0	0	0	111.9	V456 G457 L481 E482 V485	V456-A492 HydrophobicContact CB-CB 4.22Å; G457-A492 CarbonylContact O-C 3.58Å; G457-A492 VanDerWaalsContact O-CA 3.31Å; G457-A492 WeakPolarHBondContact O-CA 3.42Å; L481-A492 WeakPolarHBondContact CA-O 3.41Å; E482-A492 PolarHBondContact N-O 3.31Å; E482-A492 PolarHBondContact O-N 3.42Å; V485-A492 HydrophobicContact CB-CB 4.03Å; V485-A492 HydrophobicContact CG1-CB 4.17Å; V485-A492 HydrophobicContact CG2-CB 3.69Å
493	F	93.5	Very high	92.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.5	165.2	169.3	-102.5	0	0	0	109.6	E392 G393 V456 G457 V459 F468 K480	E392-F493 HydrophobicContact CG-CE2 3.76Å; E392-F493 HydrophobicContact CG-CZ 3.98Å; G393-F493 VanDerWaalsContact CA-CE1 3.41Å; V456-F493 VanDerWaalsContact CA-O 3.27Å; V456-F493 WeakPolarHBondContact CA-O 3.27Å; G457-F493 PolarHBondContact N-O 3.48Å; G457-F493 PolarHBondContact O-N 3.1Å; V459-F493 HydrophobicContact CG2-CB 4.21Å; F468-F493 AromaticContact CD2-CD2 3.63Å; F468-F493 HydrophobicContact CD2-CD2 3.63Å; F468-F493 HydrophobicContact CD2-CE2 4.11Å; F468-F493 HydrophobicContact CD2-CG 4.31Å; F468-F493 AromaticContact CE2-CD2 3.45Å; F468-F493 HydrophobicContact CE2-CD2 3.45Å; F468-F493 VanDerWaalsContact CE2-CD2 3.45Å; F468-F493 AromaticContact CE2-CE2 3.56Å; F468-F493 HydrophobicContact CE2-CE2 3.56Å; F468-F493 HydrophobicContact CG-CD2 4.31Å; F468-F493 AromaticContact CZ-CD2 3.97Å; F468-F493 HydrophobicContact CZ-CD2 3.97Å; F468-F493 HydrophobicContact CZ-CE2 4.15Å; K480-F493 HydrophobicContact CB-CD2 4.09Å; K480-F493 HydrophobicContact CB-CE2 4.03Å; K480-F493 HydrophobicContact CD-CE2 4.05Å; K480-F493 HydrophobicContact CG-CE2 4.25Å; K480-F493 WeakPolarHBondContact O-CA 3.36Å
494	R	92.9	Very high	92.2	Very high	44 Å²	44	47.3 Å²	47.3	17%	0.166	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.6	174.3	-75.6	-168.3	68	178.5	-0.7	110.2	G434 E454 V456 K480 E482 G496	G434-R494 PolarHBondContact O-NH2 3.37Å; E454-R494 WeakPolarHBondContact OE1-CB 3.35Å; E454-R494 IonicContact OE1-CZ 3.58Å; E454-R494 IonicContact OE1-NE 3.83Å; E454-R494 PolarHBondContact OE1-NE 2.91Å; E454-R494 IonicContact OE1-NH2 3.52Å; E454-R494 IonicContact OE2-CZ 3.21Å; E454-R494 IonicContact OE2-NE 3.51Å; E454-R494 PolarHBondContact OE2-NE 3.37Å; E454-R494 IonicContact OE2-NH2 3.57Å; E454-R494 PolarHBondContact OE2-NH2 2.88Å; V456-R494 HydrophobicContact CG1-CG 4.21Å; K480-R494 PolarHBondContact O-N 3.36Å; E482-R494 HydrophobicContact CB-CG 3.96Å; E482-R494 IonicContact OE2-NH1 2.8Å; E482-R494 PolarHBondContact OE2-NH1 3Å; R494-G496 VanDerWaalsContact C-N 3.31Å
495	S	90	Very high	92.1	Very high	8 Å²	8	44.9 Å²	44.9	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	-37.4	178.6	68	0	0	0	0	111.4	Y388 L455 K480 D497	Y388-S495 VanDerWaalsContact OH-CB 3.26Å; Y388-S495 WeakPolarHBondContact OH-CB 3.31Å; Y388-S495 PolarHBondContact OH-OG 3.47Å; L455-S495 WeakPolarHBondContact O-CB 3.32Å; L455-S495 PolarHBondContact O-N 3.12Å; L455-S495 PolarHBondContact O-OG 2.91Å; K480-S495 PolarHBondContact NZ-O 2.88Å; S495-D497 PolarHBondContact OG-N 3.45Å; S495-D497 PolarHBondContact OG-O 2.66Å
496	G	88.1	Confident	92.2	Very high	21 Å²	21	45.4 Å²	45.4	22%	0.216	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.3	14.9	-166	0	0	0	0	0	113.2	E454 R494 T513	E454-G496 PolarHBondContact OE1-N 3.15Å; R494-G496 VanDerWaalsContact C-N 3.31Å; G496-T513 WeakPolarHBondContact O-CB 3.32Å; G496-T513 PolarHBondContact O-N 3.31Å; G496-T513 PolarHBondContact O-OG1 3.3Å
497	D	88.9	Confident	92.4	Very high	15 Å²	15	44 Å²	44	8%	0.08	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.8	175.5	-60.1	-44.4	0	0	0	110	Y388 E454 L455 S495 L499 F509 R512	Y388-D497 HydrophobicContact CE2-CB 4.24Å; Y388-D497 WeakPolarHBondContact CE2-OD2 3.35Å; Y388-D497 VanDerWaalsContact OH-CB 3.29Å; Y388-D497 WeakPolarHBondContact OH-CB 3.49Å; Y388-D497 PolarHBondContact OH-OD2 3.37Å; E454-D497 WeakPolarHBondContact CA-O 3.11Å; L455-D497 PolarHBondContact N-O 3.06Å; L455-D497 VanDerWaalsContact N-O 3.14Å; S495-D497 PolarHBondContact OG-N 3.45Å; S495-D497 PolarHBondContact OG-O 2.66Å; D497-L499 HydrophobicContact CB-CD1 3.7Å; D497-L499 WeakPolarHBondContact O-CD1 3.37Å; D497-F509 HydrophobicContact CB-CD2 4.4Å; D497-F509 HydrophobicContact CB-CE2 3.85Å; D497-R512 WeakPolarHBondContact OD1-CG 3.19Å; D497-R512 IonicContact OD1-NE 3.73Å
498	I	90.2	Very high	92.5	Very high	22 Å²	22	37.7 Å²	37.7	11%	0.113	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.8	175.3	-54.2	-57.2	0	0	0	109.3	V429 G453 E454 K510 D511 T513	V429-I498 HydrophobicContact CB-CD1 4.48Å; V429-I498 HydrophobicContact CG1-CD1 4.46Å; G453-I498 WeakPolarHBondContact O-CA 3.46Å; E454-I498 HydrophobicContact CB-CD1 4.03Å; I498-K510 HydrophobicContact CG2-CB 4.45Å; I498-K510 HydrophobicContact CG2-CD 4.49Å; I498-K510 WeakPolarHBondContact O-CB 3.47Å; I498-K510 PolarHBondContact O-N 3.31Å; I498-D511 WeakPolarHBondContact CA-O 3.36Å; I498-D511 PolarHBondContact N-O 3.24Å; I498-D511 PolarHBondContact O-N 3.24Å; I498-T513 WeakPolarHBondContact CD1-OG1 3.45Å
499	L	92.8	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	162.4	177.7	-70.8	84.6	0	0	0	109.3	Y388 L426 S452 G453 L455 D497 L507 Y508 F509	Y388-L499 HydrophobicContact CD2-CD2 4.37Å; Y388-L499 HydrophobicContact CE2-CD1 4.05Å; Y388-L499 HydrophobicContact CE2-CD2 4.29Å; L426-L499 HydrophobicContact CD1-CB 4.46Å; L426-L499 HydrophobicContact CD2-CB 3.77Å; S452-L499 CarbonylContact C-O 3.55Å; S452-L499 WeakPolarHBondContact CA-O 3.44Å; G453-L499 PolarHBondContact N-O 3.09Å; G453-L499 PolarHBondContact O-N 2.97Å; G453-L499 VanDerWaalsContact O-O 3.11Å; L455-L499 HydrophobicContact CB-CD1 4.01Å; D497-L499 HydrophobicContact CB-CD1 3.7Å; D497-L499 WeakPolarHBondContact O-CD1 3.37Å; L499-L507 HydrophobicContact CD2-CB 4.18Å; L499-Y508 VanDerWaalsContact CA-O 3.26Å; L499-Y508 WeakPolarHBondContact CA-O 3.41Å; L499-Y508 WeakPolarHBondContact CB-O 3.1Å; L499-F509 HydrophobicContact CD1-CD2 4.47Å
500	H	93.4	Very high	92.2	Very high	64 Å²	64	33.6 Å²	33.6	30%	0.296	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.2	163.6	73.1	-82.3	0	0	0	110.1	E451 L507 Y508	E451-H500 WeakPolarHBondContact O-CB 3.32Å; H500-L507 WeakPolarHBondContact O-CA 3.38Å; H500-Y508 WeakPolarHBondContact CE1-CB 3.33Å; H500-Y508 AromaticContact CE1-CG 3.81Å; H500-Y508 PolarHBondContact N-O 3.08Å; H500-Y508 AromaticContact NE2-CD2 3.69Å; H500-Y508 AromaticContact NE2-CG 3.82Å; H500-Y508 PolarHBondContact O-N 3.23Å
501	M	94.3	Very high	91.6	Very high	33 Å²	33	32.6 Å²	32.6	16%	0.163	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.4	179.8	-169.5	177.3	66.4	0	0	109.6	L412 L426 P449 G450 Y506 L507	L412-M501 HydrophobicContact CB-SD 3.89Å; L412-M501 HydrophobicContact CD1-SD 3.92Å; L412-M501 HydrophobicContact CG-SD 4.3Å; L426-M501 HydrophobicContact CD1-CB 3.92Å; P449-M501 CarbonylContact C-O 3.47Å; P449-M501 VanDerWaalsContact CA-O 3.27Å; P449-M501 WeakPolarHBondContact CA-O 2.95Å; P449-M501 HydrophobicContact CG-CE 4.05Å; G450-M501 PolarHBondContact N-O 3.33Å; M501-Y506 CarbonylContact C-O 3.46Å; M501-Y506 VanDerWaalsContact CA-O 3.26Å; M501-Y506 WeakPolarHBondContact CA-O 3.45Å; M501-L507 HydrophobicContact CB-CD2 3.76Å; M501-L507 HydrophobicContact CG-CD2 3.99Å
502	D	94.5	Very high	90.9	Very high	30 Å²	30	36 Å²	36	16%	0.16	16%	0.163	C	C	.	.			trans	-81.6	177.2	172.1	77.4	6.3	0	0	0	112.3	Y504 G505 Y506 Y508	D502-Y504 PolarHBondContact O-N 3.09Å; D502-Y504 VanDerWaalsContact OD1-C 3.25Å; D502-Y504 VanDerWaalsContact OD1-CA 3.3Å; D502-Y504 WeakPolarHBondContact OD1-CA 3.23Å; D502-Y504 WeakPolarHBondContact OD1-CB 3.46Å; D502-Y504 PolarHBondContact OD1-N 3.38Å; D502-G505 PolarHBondContact O-N 3.2Å; D502-G505 VanDerWaalsContact O-N 3.07Å; D502-G505 PolarHBondContact OD1-N 3.45Å; D502-Y506 PolarHBondContact N-O 2.95Å; D502-Y506 PolarHBondContact OD1-N 3.2Å; D502-Y508 HydrophobicContact CB-CE2 3.98Å
503	E	93	Very high	89.9	Confident	116 Å²	116	38.3 Å²	38.3	54%	0.542	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.8	179.7	-62.2	-168.2	155.4	0	0	113.9	R44 P449 G505	R44-E503 WeakPolarHBondContact CD-O 3.45Å; R44-E503 PolarHBondContact NH1-O 2.8Å; P449-E503 HydrophobicContact CB-CG 4.17Å; E503-G505 VanDerWaalsContact C-N 3.32Å
504	Y	93	Very high	88.9	Confident	76 Å²	76	41.3 Å²	41.3	30%	0.298	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.2	176	-58.9	-83.4	0	0	0	112	R44 Y47 T48 R51 D502	R44-Y504 HydrophobicContact CB-CD1 4.3Å; R44-Y504 HydrophobicContact CB-CE1 4.4Å; R44-Y504 HydrophobicContact CG-CD1 3.97Å; R44-Y504 HydrophobicContact CG-CE1 3.73Å; Y47-Y504 AromaticContact CD1-CD1 3.61Å; Y47-Y504 HydrophobicContact CD1-CD1 3.61Å; Y47-Y504 AromaticContact CD1-CE1 3.89Å; Y47-Y504 HydrophobicContact CD1-CE1 3.89Å; Y47-Y504 HydrophobicContact CD1-CG 4.49Å; Y47-Y504 HydrophobicContact CE1-CD1 4.12Å; Y47-Y504 HydrophobicContact CE1-CE1 4.4Å; Y47-Y504 HydrophobicContact CG-CD1 4.42Å; Y47-Y504 HydrophobicContact CG-CE1 4.33Å; T48-Y504 HydrophobicContact CG2-CD1 4.24Å; T48-Y504 WeakPolarHBondContact CG2-O 3.13Å; R51-Y504 VanDerWaalsContact CZ-O 3.32Å; R51-Y504 PolarHBondContact NH1-O 3.26Å; R51-Y504 PolarHBondContact NH2-O 3.2Å; D502-Y504 PolarHBondContact O-N 3.09Å; D502-Y504 VanDerWaalsContact OD1-C 3.25Å; D502-Y504 VanDerWaalsContact OD1-CA 3.3Å; D502-Y504 WeakPolarHBondContact OD1-CA 3.23Å; D502-Y504 WeakPolarHBondContact OD1-CB 3.46Å; D502-Y504 PolarHBondContact OD1-N 3.38Å
505	G	92.3	Very high	87.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.			trans	82.5	6.1	179.5	0	0	0	0	0	114.5	F411 L412 D502 E503	F411-G505 CarbonylContact C-O 3.5Å; F411-G505 WeakPolarHBondContact CA-O 3.24Å; F411-G505 WeakPolarHBondContact CB-O 3.45Å; L412-G505 PolarHBondContact N-O 3Å; L412-G505 WeakPolarHBondContact O-CA 3.33Å; D502-G505 PolarHBondContact O-N 3.2Å; D502-G505 VanDerWaalsContact O-N 3.07Å; D502-G505 PolarHBondContact OD1-N 3.45Å; E503-G505 VanDerWaalsContact C-N 3.32Å
506	Y	94.6	Very high	87	Confident	12 Å²	12	45 Å²	45	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137.5	172.9	-70.5	-74.9	0	0	0	110.4	D403 K405 A408 G410 F411 M501 D502	D403-Y506 PolarHBondContact OD2-OH 3.08Å; K405-Y506 HydrophobicContact CB-CD1 3.87Å; K405-Y506 HydrophobicContact CB-CE1 3.56Å; K405-Y506 HydrophobicContact CB-CG 4.49Å; K405-Y506 HydrophobicContact CD-CD2 4.32Å; K405-Y506 HydrophobicContact CD-CE2 4.14Å; K405-Y506 HydrophobicContact CG-CD1 3.75Å; K405-Y506 HydrophobicContact CG-CD2 4.04Å; K405-Y506 HydrophobicContact CG-CE1 3.79Å; K405-Y506 HydrophobicContact CG-CE2 4.09Å; K405-Y506 HydrophobicContact CG-CG 3.87Å; A408-Y506 HydrophobicContact CB-CD1 3.9Å; A408-Y506 HydrophobicContact CB-CG 4.28Å; G410-Y506 WeakPolarHBondContact O-CA 3.36Å; F411-Y506 HydrophobicContact CB-CD1 4.11Å; F411-Y506 HydrophobicContact CB-CE1 4.5Å; M501-Y506 CarbonylContact C-O 3.46Å; M501-Y506 VanDerWaalsContact CA-O 3.26Å; M501-Y506 WeakPolarHBondContact CA-O 3.45Å; D502-Y506 PolarHBondContact N-O 2.95Å; D502-Y506 PolarHBondContact OD1-N 3.2Å
507	L	94.5	Very high	86.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.2	178.3	-72.7	176.2	0	0	0	110.3	I399 A408 C409 G410 L412 L426 L499 H500 M501	I399-L507 HydrophobicContact CB-CD1 4.47Å; I399-L507 HydrophobicContact CD1-CD1 3.59Å; I399-L507 HydrophobicContact CG1-CD1 3.81Å; I399-L507 HydrophobicContact CG2-CD1 3.81Å; A408-L507 CarbonylContact C-O 3.49Å; A408-L507 VanDerWaalsContact CA-O 3.26Å; A408-L507 WeakPolarHBondContact CA-O 3.34Å; C409-L507 PolarHBondContact N-O 2.77Å; C409-L507 PolarHBondContact SG-O 2.76Å; C409-L507 VanDerWaalsContact SG-O 3.41Å; G410-L507 PolarHBondContact O-N 3.38Å; L412-L507 HydrophobicContact CD1-CD1 4.2Å; L412-L507 HydrophobicContact CD1-CD2 4.26Å; L412-L507 HydrophobicContact CD2-CD1 4.2Å; L412-L507 HydrophobicContact CG-CD1 3.76Å; L412-L507 HydrophobicContact CG-CD2 4.41Å; L412-L507 HydrophobicContact CG-CG 4.16Å; L426-L507 HydrophobicContact CD1-CD2 3.74Å; L426-L507 HydrophobicContact CD2-CD2 4.32Å; L426-L507 HydrophobicContact CG-CD2 4.11Å; L499-L507 HydrophobicContact CD2-CB 4.18Å; H500-L507 WeakPolarHBondContact O-CA 3.38Å; M501-L507 HydrophobicContact CB-CD2 3.76Å; M501-L507 HydrophobicContact CG-CD2 3.99Å
508	Y	93.2	Very high	85.6	Confident	40 Å²	40	49.5 Å²	49.5	16%	0.157	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.1	-179	-64.3	-87.9	0	0	0	108.9	K405 G407 A408 L499 H500 D502 K510	K405-Y508 VanDerWaalsContact CE-OH 3.27Å; K405-Y508 WeakPolarHBondContact CE-OH 3.33Å; G407-Y508 VanDerWaalsContact O-CD1 3.27Å; G407-Y508 WeakPolarHBondContact O-CD1 3.49Å; A408-Y508 HydrophobicContact CB-CD1 4.42Å; A408-Y508 HydrophobicContact CB-CE1 3.97Å; L499-Y508 VanDerWaalsContact CA-O 3.26Å; L499-Y508 WeakPolarHBondContact CA-O 3.41Å; L499-Y508 WeakPolarHBondContact CB-O 3.1Å; H500-Y508 WeakPolarHBondContact CE1-CB 3.33Å; H500-Y508 AromaticContact CE1-CG 3.81Å; H500-Y508 PolarHBondContact N-O 3.08Å; H500-Y508 AromaticContact NE2-CD2 3.69Å; H500-Y508 AromaticContact NE2-CG 3.82Å; H500-Y508 PolarHBondContact O-N 3.23Å; D502-Y508 HydrophobicContact CB-CE2 3.98Å; Y508-K510 PolarHBondContact O-N 3.14Å
509	F	90	Very high	85.1	Confident	85 Å²	85	49.1 Å²	49.1	37%	0.373	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.4	173.7	-177.2	-90.1	0	0	0	109.7	Y388 D497 L499 R512	Y388-F509 HydrophobicContact CE2-CD2 4.18Å; D497-F509 HydrophobicContact CB-CD2 4.4Å; D497-F509 HydrophobicContact CB-CE2 3.85Å; L499-F509 HydrophobicContact CD1-CD2 4.47Å; F509-R512 HydrophobicContact CZ-CG 4.43Å
510	K	85.5	Confident	84.1	Confident	78 Å²	78	56.6 Å²	56.6	34%	0.339	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-61.1	177.4	-167.2	175.1	-173.1	179.2	0	109.9	S452 I498 Y508 S525	S452-K510 PolarHBondContact OG-NZ 2.88Å; I498-K510 HydrophobicContact CG2-CB 4.45Å; I498-K510 HydrophobicContact CG2-CD 4.49Å; I498-K510 WeakPolarHBondContact O-CB 3.47Å; I498-K510 PolarHBondContact O-N 3.31Å; Y508-K510 PolarHBondContact O-N 3.14Å; K510-S525 PolarHBondContact O-OG 2.83Å; K510-S525 VanDerWaalsContact O-OG 3.11Å
511	D	80.8	Confident	82.6	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.011	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	176.8	-178.6	-135.8	-41.7	0	0	0	111.9	I498 D515 T516 S525 T526 S527	I498-D511 WeakPolarHBondContact CA-O 3.36Å; I498-D511 PolarHBondContact N-O 3.24Å; I498-D511 PolarHBondContact O-N 3.24Å; D511-D515 VanDerWaalsContact OD1-CB 3.31Å; D511-D515 WeakPolarHBondContact OD1-CB 3.32Å; D511-T516 HydrophobicContact CB-CG2 3.64Å; D511-S525 VanDerWaalsContact OD2-CA 3.27Å; D511-S525 WeakPolarHBondContact OD2-CA 3.34Å; D511-S525 WeakPolarHBondContact OD2-CB 3.26Å; D511-S525 PolarHBondContact OD2-OG 3.13Å; D511-T526 PolarHBondContact OD2-N 2.82Å; D511-T526 PolarHBondContact OD2-OG1 3.23Å; D511-S527 PolarHBondContact OD2-N 3.24Å
512	R	78.3	Confident	81.5	Confident	110 Å²	110	58.5 Å²	58.5	42%	0.415	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146.3	165.3	-91.2	173.2	-179.5	-178.6	3.8	111.5	D497 F509 G514 D515	D497-R512 WeakPolarHBondContact OD1-CG 3.19Å; D497-R512 IonicContact OD1-NE 3.73Å; F509-R512 HydrophobicContact CZ-CG 4.43Å; R512-G514 PolarHBondContact O-N 2.88Å; R512-D515 HydrophobicContact CB-CB 3.91Å; R512-D515 VanDerWaalsContact CB-OD2 3.25Å; R512-D515 WeakPolarHBondContact CB-OD2 3.33Å; R512-D515 WeakPolarHBondContact CD-OD2 3.39Å; R512-D515 PolarHBondContact O-N 3.03Å
513	T	74.4	Confident	80.1	Confident	49 Å²	49	59.3 Å²	59.3	30%	0.301	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	110.4	170.8	-54.3	0	0	0	0	108.9	G496 I498	G496-T513 WeakPolarHBondContact O-CB 3.32Å; G496-T513 PolarHBondContact O-N 3.31Å; G496-T513 PolarHBondContact O-OG1 3.3Å; I498-T513 WeakPolarHBondContact CD1-OG1 3.45Å
514	G	72.4	Confident	79.3	Confident	63 Å²	63	53.9 Å²	53.9	65%	0.649	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.5	-17.5	-176.9	0	0	0	0	0	115.1	R512 T516	R512-G514 PolarHBondContact O-N 2.88Å; G514-T516 VanDerWaalsContact C-N 3.33Å
515	D	72.6	Confident	78.7	Confident	84 Å²	84	50.6 Å²	50.6	45%	0.449	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.8	176.8	-71	-14.7	0	0	0	112.1	D511 R512 T526	D511-D515 VanDerWaalsContact OD1-CB 3.31Å; D511-D515 WeakPolarHBondContact OD1-CB 3.32Å; R512-D515 HydrophobicContact CB-CB 3.91Å; R512-D515 VanDerWaalsContact CB-OD2 3.25Å; R512-D515 WeakPolarHBondContact CB-OD2 3.33Å; R512-D515 WeakPolarHBondContact CD-OD2 3.39Å; R512-D515 PolarHBondContact O-N 3.03Å; D515-T526 WeakPolarHBondContact O-CB 3.41Å; D515-T526 WeakPolarHBondContact O-CG2 3.42Å; D515-T526 PolarHBondContact O-OG1 3.32Å
516	T	70.9	Confident	78.5	Confident	46 Å²	46	51.2 Å²	51.2	28%	0.282	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	150.9	165.9	59.1	0	0	0	0	111.2	D511 G514 V524	D511-T516 HydrophobicContact CB-CG2 3.64Å; G514-T516 VanDerWaalsContact C-N 3.33Å; T516-V524 WeakPolarHBondContact CA-O 3.1Å
517	F	77	Confident	77.9	Confident	10 Å²	10	52.6 Å²	52.6	4%	0.044	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	157.2	169.6	65.3	-88.7	0	0	0	111.6	W519 V524 T526 V544 R555 G557	F517-W519 HydrophobicContact CE2-CB 4.42Å; F517-V524 HydrophobicContact CD1-CB 4.33Å; F517-V524 HydrophobicContact CD2-CB 4.12Å; F517-V524 HydrophobicContact CD2-CG2 4.33Å; F517-V524 HydrophobicContact CE1-CB 3.87Å; F517-V524 HydrophobicContact CE1-CG1 3.76Å; F517-V524 HydrophobicContact CE2-CB 3.65Å; F517-V524 HydrophobicContact CE2-CG1 4.05Å; F517-V524 HydrophobicContact CE2-CG2 3.75Å; F517-V524 HydrophobicContact CG-CB 4.45Å; F517-V524 HydrophobicContact CZ-CB 3.52Å; F517-V524 HydrophobicContact CZ-CG1 3.42Å; F517-V524 VanDerWaalsContact CZ-CG1 3.42Å; F517-V524 HydrophobicContact CZ-CG2 4.03Å; F517-V524 PolarHBondContact N-O 2.88Å; F517-V524 VanDerWaalsContact N-O 3.16Å; F517-V524 PolarHBondContact O-N 2.8Å; F517-T526 HydrophobicContact CD1-CG2 3.72Å; F517-T526 HydrophobicContact CE1-CG2 3.82Å; F517-V544 HydrophobicContact CE1-CG1 3.91Å; F517-V544 HydrophobicContact CZ-CG1 4.37Å; F517-R555 HydrophobicContact CB-CB 4.12Å; F517-R555 HydrophobicContact CD2-CB 4.37Å; F517-R555 VanDerWaalsContact CD2-O 3.23Å; F517-R555 WeakPolarHBondContact CD2-O 3.28Å; F517-G557 VanDerWaalsContact CE2-CA 3.5Å; F517-G557 VanDerWaalsContact CZ-CA 3.41Å
518	R	70.8	Confident	77.3	Confident	119 Å²	119	57.3 Å²	57.3	45%	0.449	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122	-177.1	-154.5	173.4	174.4	169.8	-4.1	110.5	G521 E522 N523 G554 R555	R518-G521 VanDerWaalsContact CZ-O 3.24Å; R518-G521 PolarHBondContact NE-O 2.93Å; R518-G521 PolarHBondContact NH2-O 3.46Å; R518-E522 CarbonylContact C-O 3.38Å; R518-E522 WeakPolarHBondContact CA-O 3.4Å; R518-E522 VanDerWaalsContact CG-O 3.26Å; R518-E522 WeakPolarHBondContact CG-O 3.21Å; R518-N523 WeakPolarHBondContact CG-OD1 3.14Å; R518-G554 CarbonylContact O-C 3.59Å; R518-G554 VanDerWaalsContact O-CA 3.28Å; R518-G554 WeakPolarHBondContact O-CA 3.32Å; R518-R555 PolarHBondContact O-N 2.96Å
519	W	78.6	Confident	77	Confident	15 Å²	15	55.4 Å²	55.4	6%	0.057	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.9	-179.5	-176.8	-123.1	0	0	0	110.2	F517 G521 E522 I552 R555 A556 I588	F517-W519 HydrophobicContact CE2-CB 4.42Å; W519-G521 PolarHBondContact O-N 3.4Å; W519-E522 PolarHBondContact N-O 3.34Å; W519-E522 PolarHBondContact O-N 3.13Å; W519-I552 HydrophobicContact CH2-CB 4.5Å; W519-I552 HydrophobicContact CH2-CD1 4.21Å; W519-I552 HydrophobicContact CH2-CG2 3.63Å; W519-I552 HydrophobicContact CZ3-CG2 3.6Å; W519-R555 WeakPolarHBondContact CB-O 3.49Å; W519-A556 HydrophobicContact CD2-CB 4.32Å; W519-A556 VanDerWaalsContact CE3-CA 3.42Å; W519-A556 HydrophobicContact CE3-CB 3.97Å; W519-A556 VanDerWaalsContact CE3-N 3.26Å; W519-A556 HydrophobicContact CH2-CB 3.75Å; W519-A556 HydrophobicContact CZ2-CB 4.16Å; W519-A556 HydrophobicContact CZ3-CB 3.66Å; W519-I588 HydrophobicContact CD2-CD1 4.44Å; W519-I588 HydrophobicContact CH2-CD1 4.07Å; W519-I588 HydrophobicContact CZ2-CD1 3.17Å
520	K	72.8	Confident	77	Confident	157 Å²	157	52.9 Å²	52.9	68%	0.683	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	41.7	-178.1	-61.6	-172.6	173.7	-172.1	0	113.6	E522	K520-E522 VanDerWaalsContact C-N 3.28Å; K520-E522 PolarHBondContact O-N 2.72Å
521	G	61.5	Low	76.9	Confident	42 Å²	42	49.2 Å²	49.2	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-7.6	179	0	0	0	0	0	115.2	R518 W519	R518-G521 VanDerWaalsContact CZ-O 3.24Å; R518-G521 PolarHBondContact NE-O 2.93Å; R518-G521 PolarHBondContact NH2-O 3.46Å; W519-G521 PolarHBondContact O-N 3.4Å
522	E	69.9	Low	77.2	Confident	94 Å²	94	49.9 Å²	49.9	44%	0.439	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.9	-178.4	-63.6	-67	165.9	0	0	111.7	R518 W519 K520 Y584	R518-E522 CarbonylContact C-O 3.38Å; R518-E522 WeakPolarHBondContact CA-O 3.4Å; R518-E522 VanDerWaalsContact CG-O 3.26Å; R518-E522 WeakPolarHBondContact CG-O 3.21Å; W519-E522 PolarHBondContact N-O 3.34Å; W519-E522 PolarHBondContact O-N 3.13Å; K520-E522 VanDerWaalsContact C-N 3.28Å; K520-E522 PolarHBondContact O-N 2.72Å; E522-Y584 HydrophobicContact CB-CD1 3.89Å; E522-Y584 HydrophobicContact CB-CD2 3.41Å; E522-Y584 VanDerWaalsContact CB-CD2 3.41Å; E522-Y584 HydrophobicContact CB-CE1 4.05Å; E522-Y584 HydrophobicContact CB-CE2 3.65Å; E522-Y584 HydrophobicContact CB-CG 3.56Å; E522-Y584 HydrophobicContact CG-CD1 3.64Å; E522-Y584 HydrophobicContact CG-CD2 4.14Å; E522-Y584 HydrophobicContact CG-CE1 3.82Å; E522-Y584 HydrophobicContact CG-CE2 4.35Å; E522-Y584 HydrophobicContact CG-CG 3.8Å
523	N	66.8	Low	77.8	Confident	47 Å²	47	44.7 Å²	44.7	25%	0.251	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.6	176.8	-63.3	-58.8	0	0	0	111.1	E431 R518	E431-N523 VanDerWaalsContact CD-ND2 3.25Å; E431-N523 PolarHBondContact OE2-ND2 2.72Å; R518-N523 WeakPolarHBondContact CG-OD1 3.14Å
524	V	75.5	Confident	78.4	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.6	177.4	-174.2	0	0	0	0	108.3	T516 F517 V529 Y584 A585	T516-V524 WeakPolarHBondContact CA-O 3.1Å; F517-V524 HydrophobicContact CD1-CB 4.33Å; F517-V524 HydrophobicContact CD2-CB 4.12Å; F517-V524 HydrophobicContact CD2-CG2 4.33Å; F517-V524 HydrophobicContact CE1-CB 3.87Å; F517-V524 HydrophobicContact CE1-CG1 3.76Å; F517-V524 HydrophobicContact CE2-CB 3.65Å; F517-V524 HydrophobicContact CE2-CG1 4.05Å; F517-V524 HydrophobicContact CE2-CG2 3.75Å; F517-V524 HydrophobicContact CG-CB 4.45Å; F517-V524 HydrophobicContact CZ-CB 3.52Å; F517-V524 HydrophobicContact CZ-CG1 3.42Å; F517-V524 VanDerWaalsContact CZ-CG1 3.42Å; F517-V524 HydrophobicContact CZ-CG2 4.03Å; F517-V524 PolarHBondContact N-O 2.88Å; F517-V524 VanDerWaalsContact N-O 3.16Å; F517-V524 PolarHBondContact O-N 2.8Å; V524-V529 HydrophobicContact CG1-CG2 3.62Å; V524-Y584 HydrophobicContact CG2-CD2 3.87Å; V524-Y584 HydrophobicContact CG2-CE2 4.31Å; V524-A585 HydrophobicContact CG1-CB 3.94Å; V524-A585 HydrophobicContact CG2-CB 4.16Å
525	S	80.8	Confident	79	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.5	168.3	171.5	0	0	0	0	109.2	K510 D511 S527 E528 V529	K510-S525 PolarHBondContact O-OG 2.83Å; K510-S525 VanDerWaalsContact O-OG 3.11Å; D511-S525 VanDerWaalsContact OD2-CA 3.27Å; D511-S525 WeakPolarHBondContact OD2-CA 3.34Å; D511-S525 WeakPolarHBondContact OD2-CB 3.26Å; D511-S525 PolarHBondContact OD2-OG 3.13Å; S525-S527 VanDerWaalsContact C-N 3.35Å; S525-S527 PolarHBondContact OG-N 3.04Å; S525-E528 PolarHBondContact OG-N 3.49Å; S525-V529 WeakPolarHBondContact O-CG2 3.28Å; S525-V529 PolarHBondContact O-N 3.04Å
526	T	86.9	Confident	79.7	Confident	13 Å²	13	43.3 Å²	43.3	8%	0.08	21%	0.212	C	C	.	.	H	α-helix	trans	-67.7	-42.4	176.6	50.1	0	0	0	0	110	D511 D515 F517 E528 V529 E530 V544	D511-T526 PolarHBondContact OD2-N 2.82Å; D511-T526 PolarHBondContact OD2-OG1 3.23Å; D515-T526 WeakPolarHBondContact O-CB 3.41Å; D515-T526 WeakPolarHBondContact O-CG2 3.42Å; D515-T526 PolarHBondContact O-OG1 3.32Å; F517-T526 HydrophobicContact CD1-CG2 3.72Å; F517-T526 HydrophobicContact CE1-CG2 3.82Å; T526-E528 PolarHBondContact O-N 3.29Å; T526-V529 PolarHBondContact O-N 2.88Å; T526-E530 WeakPolarHBondContact O-CB 3.37Å; T526-E530 VanDerWaalsContact O-CG 3.24Å; T526-E530 WeakPolarHBondContact O-CG 3.41Å; T526-E530 PolarHBondContact O-N 3.2Å; T526-V544 WeakPolarHBondContact CB-O 3.28Å; T526-V544 HydrophobicContact CG2-CB 4.42Å; T526-V544 HydrophobicContact CG2-CG1 4.26Å; T526-V544 WeakPolarHBondContact CG2-O 3.35Å
527	S	82.4	Confident	80.5	Confident	42 Å²	42	41.8 Å²	41.8	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-41.5	179.1	-64.4	0	0	0	0	113.2	D511 S525 G531	D511-S527 PolarHBondContact OD2-N 3.24Å; S525-S527 VanDerWaalsContact C-N 3.35Å; S525-S527 PolarHBondContact OG-N 3.04Å; S527-G531 PolarHBondContact O-N 3.04Å
528	E	81.5	Confident	80.8	Confident	98 Å²	98	44.4 Å²	44.4	46%	0.458	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-50.7	177.5	-179.6	175.8	-157.4	0	0	111.7	S525 T526 E530 G531 L532	S525-E528 PolarHBondContact OG-N 3.49Å; T526-E528 PolarHBondContact O-N 3.29Å; E528-E530 VanDerWaalsContact C-N 3.33Å; E528-E530 PolarHBondContact O-N 2.94Å; E528-G531 PolarHBondContact O-N 2.91Å; E528-L532 PolarHBondContact O-N 3.47Å; E528-L532 VanDerWaalsContact O-N 3.12Å
529	V	87.2	Confident	81.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-40.6	-179.3	-178.9	0	0	0	0	110.4	V524 S525 T526 G531 L532 I533 V544 L581 A585 P587	V524-V529 HydrophobicContact CG1-CG2 3.62Å; S525-V529 WeakPolarHBondContact O-CG2 3.28Å; S525-V529 PolarHBondContact O-N 3.04Å; T526-V529 PolarHBondContact O-N 2.88Å; V529-G531 PolarHBondContact O-N 3.01Å; V529-L532 PolarHBondContact O-N 2.96Å; V529-I533 HydrophobicContact CG1-CD1 3.82Å; V529-I533 HydrophobicContact CG1-CG1 4.37Å; V529-I533 VanDerWaalsContact O-CG1 3.27Å; V529-I533 WeakPolarHBondContact O-CG1 3.33Å; V529-I533 PolarHBondContact O-N 3.27Å; V529-V544 HydrophobicContact CB-CB 4.49Å; V529-V544 HydrophobicContact CB-CG1 4.14Å; V529-V544 HydrophobicContact CB-CG2 4.08Å; V529-V544 HydrophobicContact CG1-CB 4.5Å; V529-V544 HydrophobicContact CG1-CG1 4.06Å; V529-V544 HydrophobicContact CG1-CG2 3.77Å; V529-L581 HydrophobicContact CB-CD1 4.48Å; V529-L581 HydrophobicContact CG1-CD1 4.05Å; V529-L581 HydrophobicContact CG2-CD1 4.09Å; V529-L581 HydrophobicContact CG2-CD2 4.31Å; V529-A585 HydrophobicContact CG2-CB 4.38Å; V529-P587 HydrophobicContact CG1-CG 3.79Å
530	E	90.1	Very high	81.4	Confident	33 Å²	33	40.3 Å²	40.3	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-45.9	173.5	-74.9	175.3	-176.3	0	0	112	R368 T526 E528 L532 I533 Q534 A543 V544	R368-E530 IonicContact NH1-OE2 3.73Å; R368-E530 IonicContact NH2-OE2 3.5Å; T526-E530 WeakPolarHBondContact O-CB 3.37Å; T526-E530 VanDerWaalsContact O-CG 3.24Å; T526-E530 WeakPolarHBondContact O-CG 3.41Å; T526-E530 PolarHBondContact O-N 3.2Å; E528-E530 VanDerWaalsContact C-N 3.33Å; E528-E530 PolarHBondContact O-N 2.94Å; E530-L532 VanDerWaalsContact C-N 3.3Å; E530-L532 PolarHBondContact O-N 2.86Å; E530-I533 PolarHBondContact O-N 2.84Å; E530-Q534 WeakPolarHBondContact O-CB 3.27Å; E530-Q534 VanDerWaalsContact O-CG 3.25Å; E530-Q534 WeakPolarHBondContact O-CG 3.43Å; E530-Q534 PolarHBondContact O-N 3.02Å; E530-A543 WeakPolarHBondContact OE1-CA 3.03Å; E530-V544 HydrophobicContact CB-CG2 4.36Å; E530-V544 HydrophobicContact CG-CB 3.75Å; E530-V544 HydrophobicContact CG-CG2 3.5Å; E530-V544 PolarHBondContact OE1-N 3.2Å
531	G	84.3	Confident	82	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-38.3	179.3	0	0	0	0	0	113	S527 E528 V529 R535	S527-G531 PolarHBondContact O-N 3.04Å; E528-G531 PolarHBondContact O-N 2.91Å; V529-G531 PolarHBondContact O-N 3.01Å; G531-R535 PolarHBondContact O-N 2.99Å
532	L	86.9	Confident	83.3	Confident	15 Å²	15	33 Å²	33	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-72.5	-43.3	175.6	-67.7	172.5	0	0	0	112.2	Q370 E528 V529 E530 Q534 R535 V536 L577 L580 L581	Q370-L532 HydrophobicContact CG-CD2 4.16Å; E528-L532 PolarHBondContact O-N 3.47Å; E528-L532 VanDerWaalsContact O-N 3.12Å; V529-L532 PolarHBondContact O-N 2.96Å; E530-L532 VanDerWaalsContact C-N 3.3Å; E530-L532 PolarHBondContact O-N 2.86Å; L532-Q534 VanDerWaalsContact C-N 3.33Å; L532-Q534 PolarHBondContact O-N 2.77Å; L532-R535 WeakPolarHBondContact O-CB 3.36Å; L532-R535 PolarHBondContact O-N 2.67Å; L532-R535 VanDerWaalsContact O-N 3.15Å; L532-V536 WeakPolarHBondContact O-CG2 3.16Å; L532-V536 PolarHBondContact O-N 3.11Å; L532-L577 HydrophobicContact CB-CD2 4.08Å; L532-L580 HydrophobicContact CD1-CB 4.3Å; L532-L580 HydrophobicContact CD2-CB 4.43Å; L532-L580 HydrophobicContact CD2-CD1 4.21Å; L532-L581 HydrophobicContact CD1-CD1 4.13Å; L532-L581 HydrophobicContact CD1-CD2 3.45Å; L532-L581 VanDerWaalsContact CD1-CD2 3.45Å; L532-L581 HydrophobicContact CD1-CG 3.57Å
533	I	91.2	Very high	84.3	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-47.1	174.7	-70.3	169	0	0	0	110.2	V529 E530 R535 V536 A537 A542 V544 A559 I561 L577 P587	V529-I533 HydrophobicContact CG1-CD1 3.82Å; V529-I533 HydrophobicContact CG1-CG1 4.37Å; V529-I533 VanDerWaalsContact O-CG1 3.27Å; V529-I533 WeakPolarHBondContact O-CG1 3.33Å; V529-I533 PolarHBondContact O-N 3.27Å; E530-I533 PolarHBondContact O-N 2.84Å; I533-R535 VanDerWaalsContact C-N 3.26Å; I533-R535 PolarHBondContact O-N 3.12Å; I533-V536 PolarHBondContact O-N 2.95Å; I533-A537 HydrophobicContact CG2-CB 4.3Å; I533-A537 WeakPolarHBondContact O-CB 3Å; I533-A537 PolarHBondContact O-N 3.39Å; I533-A542 HydrophobicContact CB-CB 4.23Å; I533-A542 HydrophobicContact CG2-CB 3.6Å; I533-V544 HydrophobicContact CD1-CG2 3.67Å; I533-A559 HydrophobicContact CD1-CB 3.61Å; I533-I561 HydrophobicContact CG2-CD1 3.67Å; I533-I561 HydrophobicContact CG2-CG1 3.93Å; I533-L577 HydrophobicContact CG1-CD1 4.03Å; I533-L577 HydrophobicContact CG1-CD2 4.13Å; I533-P587 HydrophobicContact CD1-CG 4.03Å
534	Q	87.5	Confident	85.4	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-56.4	-42.7	177	-74.7	-175.8	-7.2	0	0	111.1	R368 E530 L532 L539 A540 A542	R368-Q534 VanDerWaalsContact CD-OE1 3.23Å; R368-Q534 VanDerWaalsContact NH1-CD 3.27Å; E530-Q534 WeakPolarHBondContact O-CB 3.27Å; E530-Q534 VanDerWaalsContact O-CG 3.25Å; E530-Q534 WeakPolarHBondContact O-CG 3.43Å; E530-Q534 PolarHBondContact O-N 3.02Å; L532-Q534 VanDerWaalsContact C-N 3.33Å; L532-Q534 PolarHBondContact O-N 2.77Å; Q534-L539 WeakPolarHBondContact O-CA 3.5Å; Q534-L539 PolarHBondContact O-N 2.79Å; Q534-A540 WeakPolarHBondContact CG-O 3.5Å; Q534-A542 HydrophobicContact CG-CB 4.35Å
535	R	84.9	Confident	86.2	Confident	146 Å²	146	32.2 Å²	32.2	55%	0.551	18%	0.184	S	C	*	.	H	α-helix	trans	-63.6	-48	177.5	-176.9	-176.4	174.8	-162.4	0	112.5	Q370 G531 L532 I533	Q370-R535 HydrophobicContact CB-CB 4.34Å; G531-R535 PolarHBondContact O-N 2.99Å; L532-R535 WeakPolarHBondContact O-CB 3.36Å; L532-R535 PolarHBondContact O-N 2.67Å; L532-R535 VanDerWaalsContact O-N 3.15Å; I533-R535 VanDerWaalsContact C-N 3.26Å; I533-R535 PolarHBondContact O-N 3.12Å
536	V	86.5	Confident	86.5	Confident	20 Å²	20	32.5 Å²	32.5	12%	0.121	19%	0.187	C	C	.	.	H	α-helix	trans	-75.1	-39.2	-173.7	174.9	0	0	0	0	111.9	L532 I533 G538 L573 E576 L577 L580	L532-V536 WeakPolarHBondContact O-CG2 3.16Å; L532-V536 PolarHBondContact O-N 3.11Å; I533-V536 PolarHBondContact O-N 2.95Å; V536-G538 PolarHBondContact O-N 3.12Å; V536-G538 VanDerWaalsContact O-N 3.17Å; V536-L573 HydrophobicContact CB-CD1 3.98Å; V536-L573 HydrophobicContact CG1-CD1 3.57Å; V536-E576 HydrophobicContact CG1-CB 3.7Å; V536-E576 HydrophobicContact CG1-CG 4.27Å; V536-E576 WeakPolarHBondContact CG1-OE2 3.11Å; V536-E576 HydrophobicContact CG2-CB 3.94Å; V536-E576 WeakPolarHBondContact CG2-OE2 3.18Å; V536-L577 HydrophobicContact CG2-CD2 4.46Å; V536-L580 HydrophobicContact CG2-CD1 4.11Å
537	A	87.9	Confident	86.7	Confident	13 Å²	13	33.3 Å²	33.3	11%	0.107	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	27.6	-178.3	0	0	0	0	0	113.2	I533 L539 A540 I561 L568 L573	I533-A537 HydrophobicContact CG2-CB 4.3Å; I533-A537 WeakPolarHBondContact O-CB 3Å; I533-A537 PolarHBondContact O-N 3.39Å; A537-L539 PolarHBondContact O-N 3.1Å; A537-A540 HydrophobicContact CB-CB 4.02Å; A537-A540 VanDerWaalsContact O-CB 3.27Å; A537-A540 WeakPolarHBondContact O-CB 3.1Å; A537-A540 PolarHBondContact O-N 3.33Å; A537-I561 HydrophobicContact CB-CG2 4.4Å; A537-L568 HydrophobicContact CB-CD1 3.6Å; A537-L573 HydrophobicContact CB-CD1 4.39Å
538	G	84.2	Confident	87	Confident	65 Å²	65	39.3 Å²	39.3	67%	0.67	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	39.2	174.9	0	0	0	0	0	114.5	V536 A540	V536-G538 PolarHBondContact O-N 3.12Å; V536-G538 VanDerWaalsContact O-N 3.17Å; G538-A540 PolarHBondContact O-N 2.97Å
539	L	79	Confident	87.2	Confident	30 Å²	30	36.3 Å²	36.3	16%	0.157	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	21.4	-177.3	-53.3	175.1	0	0	0	114.4	R343 L346 I371 Q534 A537	R343-L539 HydrophobicContact CG-CB 4.13Å; R343-L539 HydrophobicContact CG-CD2 4.31Å; R343-L539 PolarHBondContact NH1-O 2.84Å; L346-L539 HydrophobicContact CB-CD1 4.05Å; L346-L539 HydrophobicContact CD2-CD1 3.99Å; L346-L539 HydrophobicContact CG-CD1 3.81Å; I371-L539 HydrophobicContact CG2-CD2 3.76Å; Q534-L539 WeakPolarHBondContact O-CA 3.5Å; Q534-L539 PolarHBondContact O-N 2.79Å; A537-L539 PolarHBondContact O-N 3.1Å
540	A	81.6	Confident	87.2	Confident	19 Å²	19	41.4 Å²	41.4	16%	0.157	23%	0.234	C	C	.	.			trans	-56.2	144	172.2	0	0	0	0	0	111.9	Q534 A537 G538 A542 I561 V562	Q534-A540 WeakPolarHBondContact CG-O 3.5Å; A537-A540 HydrophobicContact CB-CB 4.02Å; A537-A540 VanDerWaalsContact O-CB 3.27Å; A537-A540 WeakPolarHBondContact O-CB 3.1Å; A537-A540 PolarHBondContact O-N 3.33Å; G538-A540 PolarHBondContact O-N 2.97Å; A540-A542 PolarHBondContact O-N 3.49Å; A540-I561 HydrophobicContact CB-CG2 3.93Å; A540-V562 WeakPolarHBondContact CB-O 3.45Å
541	D	84.9	Confident	86.9	Confident	33 Å²	33	48.2 Å²	48.2	18%	0.176	27%	0.272	C	S	.	.			trans	-62	132.4	170.2	-87.6	-42.7	0	0	0	110.3	R343 I561 V562 V596	R343-D541 IonicContact CZ-OD1 2.77Å; R343-D541 IonicContact NE-OD1 2.7Å; R343-D541 IonicContact NH1-OD1 2.67Å; R343-D541 IonicContact NH2-OD1 3.79Å; R343-D541 PolarHBondContact NH2-OD1 3.13Å; R343-D541 IonicContact NH2-OD2 3.85Å; D541-I561 CarbonylContact O-C 3.55Å; D541-I561 WeakPolarHBondContact O-CA 2.91Å; D541-V562 HydrophobicContact CB-CB 4.02Å; D541-V562 HydrophobicContact CB-CG2 3.74Å; D541-V562 PolarHBondContact O-N 2.91Å; D541-V596 HydrophobicContact CB-CG2 3.41Å; D541-V596 VanDerWaalsContact CB-CG2 3.41Å
542	A	89.5	Confident	86.7	Confident	11 Å²	11	52 Å²	52	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.9	-178.9	0	0	0	0	0	111	I533 Q534 A540 S560 I561	I533-A542 HydrophobicContact CB-CB 4.23Å; I533-A542 HydrophobicContact CG2-CB 3.6Å; Q534-A542 HydrophobicContact CG-CB 4.35Å; A540-A542 PolarHBondContact O-N 3.49Å; A542-S560 CarbonylContact C-O 3.58Å; A542-S560 VanDerWaalsContact CA-O 3.24Å; A542-S560 WeakPolarHBondContact CA-O 3.15Å; A542-I561 HydrophobicContact CB-CG1 4.45Å
543	A	90.9	Very high	85.9	Confident	40 Å²	40	60 Å²	60	33%	0.331	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.2	170.5	0	0	0	0	0	109.5	E530 A559 S560	E530-A543 WeakPolarHBondContact OE1-CA 3.03Å; A543-A559 WeakPolarHBondContact O-CA 3.01Å; A543-S560 PolarHBondContact N-O 3.05Å; A543-S560 PolarHBondContact O-N 3.47Å
544	V	90.6	Very high	85.3	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.2	179.5	179.9	0	0	0	0	109.2	F517 T526 V529 E530 I533 M558 A559	F517-V544 HydrophobicContact CE1-CG1 3.91Å; F517-V544 HydrophobicContact CZ-CG1 4.37Å; T526-V544 WeakPolarHBondContact CB-O 3.28Å; T526-V544 HydrophobicContact CG2-CB 4.42Å; T526-V544 HydrophobicContact CG2-CG1 4.26Å; T526-V544 WeakPolarHBondContact CG2-O 3.35Å; V529-V544 HydrophobicContact CB-CB 4.49Å; V529-V544 HydrophobicContact CB-CG1 4.14Å; V529-V544 HydrophobicContact CB-CG2 4.08Å; V529-V544 HydrophobicContact CG1-CB 4.5Å; V529-V544 HydrophobicContact CG1-CG1 4.06Å; V529-V544 HydrophobicContact CG1-CG2 3.77Å; E530-V544 HydrophobicContact CB-CG2 4.36Å; E530-V544 HydrophobicContact CG-CB 3.75Å; E530-V544 HydrophobicContact CG-CG2 3.5Å; E530-V544 PolarHBondContact OE1-N 3.2Å; I533-V544 HydrophobicContact CD1-CG2 3.67Å; V544-M558 CarbonylContact C-O 3.53Å; V544-M558 VanDerWaalsContact CA-O 3.31Å; V544-M558 WeakPolarHBondContact CA-O 3.41Å; V544-A559 HydrophobicContact CG2-CB 4.19Å
545	Y	91.1	Very high	85.1	Confident	82 Å²	82	67.2 Å²	67.2	32%	0.322	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	155.1	178.7	52.6	-87.5	0	0	0	111.7	V547 M558 S560	Y545-V547 HydrophobicContact CD2-CG1 3.74Å; Y545-V547 HydrophobicContact CE2-CG1 3.57Å; Y545-M558 HydrophobicContact CD2-CB 4.14Å; Y545-M558 HydrophobicContact CD2-CG 4.22Å; Y545-M558 HydrophobicContact CE1-CG 3.98Å; Y545-M558 HydrophobicContact CE2-CB 3.87Å; Y545-M558 HydrophobicContact CE2-CG 3.49Å; Y545-M558 VanDerWaalsContact CE2-CG 3.49Å; Y545-M558 PolarHBondContact N-O 2.79Å; Y545-M558 WeakPolarHBondContact O-CB 3.48Å; Y545-M558 PolarHBondContact O-N 3.3Å; Y545-M558 WeakPolarHBondContact OH-CG 3.4Å; Y545-S560 PolarHBondContact OH-OG 2.95Å
546	G	88.2	Confident	85.4	Confident	11 Å²	11	60.3 Å²	60.3	11%	0.113	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124	178	0	0	0	0	0	112.7	R555 A556	G546-R555 PolarHBondContact O-NH1 2.9Å; G546-A556 CarbonylContact C-O 3.54Å; G546-A556 WeakPolarHBondContact CA-O 3.44Å
547	V	91.5	Very high	85.6	Confident	31 Å²	31	59.4 Å²	59.4	19%	0.188	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.6	174.8	-65.1	0	0	0	0	111.8	Y545 R555 A556 M558 F589	Y545-V547 HydrophobicContact CD2-CG1 3.74Å; Y545-V547 HydrophobicContact CE2-CG1 3.57Å; V547-R555 CarbonylContact O-C 3.59Å; V547-R555 WeakPolarHBondContact O-CA 3.42Å; V547-A556 HydrophobicContact CG2-CB 4.2Å; V547-A556 WeakPolarHBondContact CG2-O 3.42Å; V547-A556 PolarHBondContact N-O 3.31Å; V547-A556 PolarHBondContact O-N 3.09Å; V547-M558 HydrophobicContact CG1-CB 3.76Å; V547-M558 HydrophobicContact CG1-CG 4.29Å; V547-M558 HydrophobicContact CG2-CB 4.04Å; V547-F589 HydrophobicContact CG2-CD2 3.71Å; V547-F589 HydrophobicContact CG2-CE2 4.01Å
548	K	87.3	Confident	85.9	Confident	168 Å²	168	60 Å²	60	73%	0.73	34%	0.335	S	S	*	.			trans	-73.9	134.2	172	-78.6	-171.9	174.4	-173.6	0	109.5	R555	K548-R555 HydrophobicContact CG-CG 4.44Å
549	V	86.1	Confident	86.4	Confident	34 Å²	34	56.9 Å²	56.9	21%	0.206	30%	0.304	C	S	.	.			trans	-108.7	133.1	169.3	-176	0	0	0	0	107.1	D551 I552 A556 F589	V549-D551 PolarHBondContact O-N 2.95Å; V549-I552 HydrophobicContact CB-CB 4.35Å; V549-I552 HydrophobicContact CB-CD1 4.2Å; V549-I552 HydrophobicContact CG1-CD1 3.74Å; V549-I552 HydrophobicContact CG1-CG1 4.3Å; V549-I552 PolarHBondContact O-N 3.41Å; V549-A556 HydrophobicContact CG2-CB 3.61Å; V549-F589 HydrophobicContact CG2-CE2 3.78Å; V549-F589 HydrophobicContact CG2-CZ 4.16Å
550	P	87.4	Confident	87.1	Confident	107 Å²	107	56.4 Å²	56.4	70%	0.695	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	140	176.5	-26.2	34.8	0	0	0	111.6	I552	P550-I552 PolarHBondContact O-N 2.82Å
551	D	83.6	Confident	87.7	Confident	176 Å²	176	55.5 Å²	55.5	94%	0.941	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	16.2	174.7	-49.1	-45.6	0	0	0	116.3	V549	V549-D551 PolarHBondContact O-N 2.95Å
552	I	79.1	Confident	87.9	Confident	82 Å²	82	54.9 Å²	54.9	42%	0.421	29%	0.293	S	S	.	.			trans	-121.2	133.9	175.9	-57.3	-180	0	0	0	110.4	W519 V549 P550	W519-I552 HydrophobicContact CH2-CB 4.5Å; W519-I552 HydrophobicContact CH2-CD1 4.21Å; W519-I552 HydrophobicContact CH2-CG2 3.63Å; W519-I552 HydrophobicContact CZ3-CG2 3.6Å; V549-I552 HydrophobicContact CB-CB 4.35Å; V549-I552 HydrophobicContact CB-CD1 4.2Å; V549-I552 HydrophobicContact CG1-CD1 3.74Å; V549-I552 HydrophobicContact CG1-CG1 4.3Å; V549-I552 PolarHBondContact O-N 3.41Å; P550-I552 PolarHBondContact O-N 2.82Å
553	E	71.1	Confident	88	Confident	183 Å²	183	55.4 Å²	55.4	86%	0.855	29%	0.294	S	S	*	.	S	Bend	trans	-72.3	133.7	174.8	-167.4	-177.9	178.7	0	0	111.7
554	G	78.7	Confident	87.7	Confident	35 Å²	35	60.4 Å²	60.4	36%	0.361	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	96	-157.5	179.8	0	0	0	0	0	113.4	R518	R518-G554 CarbonylContact O-C 3.59Å; R518-G554 VanDerWaalsContact O-CA 3.28Å; R518-G554 WeakPolarHBondContact O-CA 3.32Å
555	R	83.7	Confident	87.3	Confident	119 Å²	119	68.6 Å²	68.6	45%	0.449	35%	0.346	S	S	.	.			trans	-132.7	124.1	179.2	-72.3	-179.7	176.2	-111.2	4.6	109.4	F517 R518 W519 G546 V547 K548	F517-R555 HydrophobicContact CB-CB 4.12Å; F517-R555 HydrophobicContact CD2-CB 4.37Å; F517-R555 VanDerWaalsContact CD2-O 3.23Å; F517-R555 WeakPolarHBondContact CD2-O 3.28Å; R518-R555 PolarHBondContact O-N 2.96Å; W519-R555 WeakPolarHBondContact CB-O 3.49Å; G546-R555 PolarHBondContact O-NH1 2.9Å; V547-R555 CarbonylContact O-C 3.59Å; V547-R555 WeakPolarHBondContact O-CA 3.42Å; K548-R555 HydrophobicContact CG-CG 4.44Å
556	A	89.9	Confident	87	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	144.5	174.8	0	0	0	0	0	110.1	W519 G546 V547 V549 M558 I588 F589	W519-A556 HydrophobicContact CD2-CB 4.32Å; W519-A556 VanDerWaalsContact CE3-CA 3.42Å; W519-A556 HydrophobicContact CE3-CB 3.97Å; W519-A556 VanDerWaalsContact CE3-N 3.26Å; W519-A556 HydrophobicContact CH2-CB 3.75Å; W519-A556 HydrophobicContact CZ2-CB 4.16Å; W519-A556 HydrophobicContact CZ3-CB 3.66Å; G546-A556 CarbonylContact C-O 3.54Å; G546-A556 WeakPolarHBondContact CA-O 3.44Å; V547-A556 HydrophobicContact CG2-CB 4.2Å; V547-A556 WeakPolarHBondContact CG2-O 3.42Å; V547-A556 PolarHBondContact N-O 3.31Å; V547-A556 PolarHBondContact O-N 3.09Å; V549-A556 HydrophobicContact CG2-CB 3.61Å; A556-M558 PolarHBondContact O-N 2.93Å; A556-I588 HydrophobicContact CB-CB 4.45Å; A556-I588 HydrophobicContact CB-CD1 4Å; A556-F589 HydrophobicContact CB-CD2 4.25Å; A556-F589 HydrophobicContact CB-CE2 3.87Å
557	G	90.8	Very high	87	Confident	2 Å²	2	72.3 Å²	72.3	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.8	174.2	0	0	0	0	0	111.7	F517 P587 I588 F589	F517-G557 VanDerWaalsContact CE2-CA 3.5Å; F517-G557 VanDerWaalsContact CZ-CA 3.41Å; G557-P587 CarbonylContact O-C 3.59Å; G557-P587 WeakPolarHBondContact O-CA 3.17Å; G557-I588 PolarHBondContact O-N 3.21Å; G557-F589 PolarHBondContact O-N 3.1Å
558	M	95	Very high	86.9	Confident	24 Å²	24	72.5 Å²	72.5	12%	0.118	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.3	168.8	167.7	70.5	89.4	0	0	108.7	V544 Y545 V547 A556 F589 R591	V544-M558 CarbonylContact C-O 3.53Å; V544-M558 VanDerWaalsContact CA-O 3.31Å; V544-M558 WeakPolarHBondContact CA-O 3.41Å; Y545-M558 HydrophobicContact CD2-CB 4.14Å; Y545-M558 HydrophobicContact CD2-CG 4.22Å; Y545-M558 HydrophobicContact CE1-CG 3.98Å; Y545-M558 HydrophobicContact CE2-CB 3.87Å; Y545-M558 HydrophobicContact CE2-CG 3.49Å; Y545-M558 VanDerWaalsContact CE2-CG 3.49Å; Y545-M558 PolarHBondContact N-O 2.79Å; Y545-M558 WeakPolarHBondContact O-CB 3.48Å; Y545-M558 PolarHBondContact O-N 3.3Å; Y545-M558 WeakPolarHBondContact OH-CG 3.4Å; V547-M558 HydrophobicContact CG1-CB 3.76Å; V547-M558 HydrophobicContact CG1-CG 4.29Å; V547-M558 HydrophobicContact CG2-CB 4.04Å; A556-M558 PolarHBondContact O-N 2.93Å; M558-F589 CarbonylContact C-O 3.56Å; M558-F589 WeakPolarHBondContact CA-O 3.45Å; M558-F589 HydrophobicContact CB-CB 4.29Å; M558-F589 HydrophobicContact CE-CB 3.48Å; M558-F589 VanDerWaalsContact CE-CB 3.48Å; M558-F589 HydrophobicContact CE-CG 4.23Å; M558-F589 HydrophobicContact CG-CB 4.45Å; M558-F589 HydrophobicContact SD-CB 3.41Å; M558-F589 WeakPolarHBondContact SD-CB 3.4Å; M558-R591 HydrophobicContact SD-CB 4Å
559	A	94.7	Very high	87.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.5	171.4	0	0	0	0	0	110.4	I533 A543 V544 I561 P587 F589 I590 R591	I533-A559 HydrophobicContact CD1-CB 3.61Å; A543-A559 WeakPolarHBondContact O-CA 3.01Å; V544-A559 HydrophobicContact CG2-CB 4.19Å; A559-I561 HydrophobicContact CB-CD1 4.36Å; A559-I561 HydrophobicContact CB-CG1 4.19Å; A559-P587 HydrophobicContact CB-CB 3.85Å; A559-P587 HydrophobicContact CB-CG 3.79Å; A559-F589 PolarHBondContact N-O 2.9Å; A559-I590 CarbonylContact O-C 3.54Å; A559-I590 WeakPolarHBondContact O-CA 3.31Å; A559-R591 PolarHBondContact O-N 3.06Å
560	S	94	Very high	87.4	Confident	21 Å²	21	70.8 Å²	70.8	15%	0.147	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.4	165.8	-67.8	0	0	0	0	109	A542 A543 Y545 R591	A542-S560 CarbonylContact C-O 3.58Å; A542-S560 VanDerWaalsContact CA-O 3.24Å; A542-S560 WeakPolarHBondContact CA-O 3.15Å; A543-S560 PolarHBondContact N-O 3.05Å; A543-S560 PolarHBondContact O-N 3.47Å; Y545-S560 PolarHBondContact OH-OG 2.95Å; S560-R591 CarbonylContact C-O 3.6Å; S560-R591 VanDerWaalsContact CA-O 3.26Å; S560-R591 WeakPolarHBondContact CA-O 3.42Å
561	I	93.4	Very high	87.6	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.5	-175.1	-51.1	175	0	0	0	108.9	I533 A537 A540 D541 A542 A559 L568 L573 I590 R591 L592 C593	I533-I561 HydrophobicContact CG2-CD1 3.67Å; I533-I561 HydrophobicContact CG2-CG1 3.93Å; A537-I561 HydrophobicContact CB-CG2 4.4Å; A540-I561 HydrophobicContact CB-CG2 3.93Å; D541-I561 CarbonylContact O-C 3.55Å; D541-I561 WeakPolarHBondContact O-CA 2.91Å; A542-I561 HydrophobicContact CB-CG1 4.45Å; A559-I561 HydrophobicContact CB-CD1 4.36Å; A559-I561 HydrophobicContact CB-CG1 4.19Å; I561-L568 HydrophobicContact CB-CD2 4.29Å; I561-L568 HydrophobicContact CD1-CD2 4.13Å; I561-L568 HydrophobicContact CG2-CD2 3.82Å; I561-L573 HydrophobicContact CD1-CD2 3.64Å; I561-I590 HydrophobicContact CD1-CD1 4.38Å; I561-I590 HydrophobicContact CD1-CG2 4.06Å; I561-I590 HydrophobicContact CG1-CG2 4.49Å; I561-R591 PolarHBondContact N-O 2.75Å; I561-L592 HydrophobicContact CB-CD2 4.45Å; I561-L592 WeakPolarHBondContact O-CA 3.3Å; I561-C593 PolarHBondContact O-N 3.37Å
562	V	90	Very high	88	Confident	20 Å²	20	67.1 Å²	67.1	12%	0.121	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.4	173.7	176.4	0	0	0	0	110.6	A540 D541 E564 C593 V596	A540-V562 WeakPolarHBondContact CB-O 3.45Å; D541-V562 HydrophobicContact CB-CB 4.02Å; D541-V562 HydrophobicContact CB-CG2 3.74Å; D541-V562 PolarHBondContact O-N 2.91Å; V562-E564 HydrophobicContact CG1-CG 4.04Å; V562-C593 CarbonylContact C-O 3.58Å; V562-C593 VanDerWaalsContact CA-O 3.26Å; V562-C593 WeakPolarHBondContact CA-O 3.37Å; V562-C593 HydrophobicContact CG2-CB 4.43Å; V562-V596 HydrophobicContact CG2-CB 4.33Å; V562-V596 HydrophobicContact CG2-CG2 3.2Å
563	D	91	Very high	88.7	Confident	21 Å²	21	63.3 Å²	63.3	11%	0.112	34%	0.342	C	S	.	.			trans	-135	84.9	173.1	-175.1	12.3	0	0	0	109.2	K565 G566 T567 L568 L592 C593	D563-K565 VanDerWaalsContact C-N 3.26Å; D563-K565 PolarHBondContact O-N 3.25Å; D563-G566 VanDerWaalsContact CG-CA 3.49Å; D563-G566 WeakPolarHBondContact OD1-CA 3.36Å; D563-G566 PolarHBondContact OD1-N 3.16Å; D563-G566 WeakPolarHBondContact OD2-CA 3.47Å; D563-T567 PolarHBondContact OD1-N 3.37Å; D563-T567 PolarHBondContact OD2-N 3.15Å; D563-L568 HydrophobicContact CB-CB 4.2Å; D563-L568 VanDerWaalsContact OD2-CB 3.23Å; D563-L568 WeakPolarHBondContact OD2-CB 3.08Å; D563-L568 PolarHBondContact OD2-N 2.98Å; D563-L592 HydrophobicContact CB-CD2 4.42Å; D563-C593 PolarHBondContact N-O 3.06Å
564	E	83.6	Confident	89.7	Confident	145 Å²	145	59.1 Å²	59.1	68%	0.678	33%	0.325	S	S	*	.	S	Bend	trans	-62.7	-33.5	-178.8	-77.1	-179.6	-177.4	0	0	112.8	V562 R594	V562-E564 HydrophobicContact CG1-CG 4.04Å; E564-R594 WeakPolarHBondContact CG-O 3.4Å
565	K	84	Confident	90.3	Very high	179 Å²	179	61.3 Å²	61.3	78%	0.778	33%	0.334	S	S	*	.	S	Bend	trans	-100.9	-5.8	-172.4	-63.7	-177.3	-179	178.2	0	113.4	D563 T567	D563-K565 VanDerWaalsContact C-N 3.26Å; D563-K565 PolarHBondContact O-N 3.25Å; K565-T567 HydrophobicContact CB-CG2 3.77Å; K565-T567 PolarHBondContact O-N 3.47Å
566	G	84.9	Confident	90.7	Very high	63 Å²	63	58.8 Å²	58.8	65%	0.649	33%	0.328	S	S	*	.	S	Bend	trans	67.3	28.1	-175.2	0	0	0	0	0	112.6	D563	D563-G566 VanDerWaalsContact CG-CA 3.49Å; D563-G566 WeakPolarHBondContact OD1-CA 3.36Å; D563-G566 PolarHBondContact OD1-N 3.16Å; D563-G566 WeakPolarHBondContact OD2-CA 3.47Å
567	T	87.1	Confident	90.7	Very high	109 Å²	109	59 Å²	59	67%	0.669	33%	0.329	S	S	*	.			trans	-100.5	-2	-171.8	49.5	0	0	0	0	113.5	D563 K565 D569	D563-T567 PolarHBondContact OD1-N 3.37Å; D563-T567 PolarHBondContact OD2-N 3.15Å; K565-T567 HydrophobicContact CB-CG2 3.77Å; K565-T567 PolarHBondContact O-N 3.47Å; T567-D569 PolarHBondContact O-N 2.78Å
568	L	89.8	Confident	90.7	Very high	34 Å²	34	61.9 Å²	61.9	18%	0.178	35%	0.349	C	S	.	.			trans	-71.9	115.1	-175.8	-175	65.9	0	0	0	111.3	A537 I561 D563 L570 L573 L592	A537-L568 HydrophobicContact CB-CD1 3.6Å; I561-L568 HydrophobicContact CB-CD2 4.29Å; I561-L568 HydrophobicContact CD1-CD2 4.13Å; I561-L568 HydrophobicContact CG2-CD2 3.82Å; D563-L568 HydrophobicContact CB-CB 4.2Å; D563-L568 VanDerWaalsContact OD2-CB 3.23Å; D563-L568 WeakPolarHBondContact OD2-CB 3.08Å; D563-L568 PolarHBondContact OD2-N 2.98Å; L568-L570 HydrophobicContact CD2-CD2 4.12Å; L568-L570 HydrophobicContact CG-CD2 4.39Å; L568-L570 PolarHBondContact O-N 3.08Å; L568-L573 HydrophobicContact CD2-CD2 4.29Å; L568-L592 HydrophobicContact CD2-CD2 3.8Å
569	D	91.2	Very high	90.3	Very high	87 Å²	87	65.2 Å²	65.2	47%	0.465	38%	0.375	S	S	.	.			trans	-77.7	101.8	172.7	-176.9	-13.6	0	0	0	110.4	T567 S571 K572 L573	T567-D569 PolarHBondContact O-N 2.78Å; D569-S571 VanDerWaalsContact C-N 3.29Å; D569-S571 PolarHBondContact O-N 2.76Å; D569-S571 WeakPolarHBondContact OD1-CA 3.33Å; D569-S571 WeakPolarHBondContact OD1-CB 3.32Å; D569-S571 PolarHBondContact OD1-N 2.63Å; D569-K572 HydrophobicContact CB-CB 3.89Å; D569-K572 VanDerWaalsContact CG-CB 3.49Å; D569-K572 PolarHBondContact O-N 3.45Å; D569-K572 PolarHBondContact OD1-N 3.22Å; D569-K572 WeakPolarHBondContact OD2-CB 3.24Å; D569-L573 WeakPolarHBondContact O-CB 3.18Å; D569-L573 PolarHBondContact O-N 3.27Å
570	L	92.3	Very high	89.8	Confident	80 Å²	80	68.8 Å²	68.8	42%	0.419	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-30.8	179.1	-62.5	179.4	0	0	0	112.9	L568 L573 L574 I590 L592	L568-L570 HydrophobicContact CD2-CD2 4.12Å; L568-L570 HydrophobicContact CG-CD2 4.39Å; L568-L570 PolarHBondContact O-N 3.08Å; L570-L573 HydrophobicContact CD2-CD2 4.4Å; L570-L574 WeakPolarHBondContact O-CB 3.34Å; L570-L574 PolarHBondContact O-N 3.11Å; L570-I590 HydrophobicContact CD2-CD1 4.19Å; L570-I590 HydrophobicContact CD2-CG2 4.23Å; L570-L592 HydrophobicContact CD2-CD2 4.42Å
571	S	92.4	Very high	89.3	Confident	94 Å²	94	68.3 Å²	68.3	66%	0.657	39%	0.389	S	S	*	.	H	α-helix	trans	-70.6	-44.5	178.8	-60.4	0	0	0	0	110.3	D569 L574 S575	D569-S571 VanDerWaalsContact C-N 3.29Å; D569-S571 PolarHBondContact O-N 2.76Å; D569-S571 WeakPolarHBondContact OD1-CA 3.33Å; D569-S571 WeakPolarHBondContact OD1-CB 3.32Å; D569-S571 PolarHBondContact OD1-N 2.63Å; S571-L574 PolarHBondContact O-N 3.43Å; S571-S575 WeakPolarHBondContact O-CB 3.33Å; S571-S575 PolarHBondContact O-N 3.03Å
572	K	92.3	Very high	88.6	Confident	111 Å²	111	71 Å²	71	48%	0.483	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-45.4	173.3	-177.3	177.9	175.5	-178.1	0	111.5	D569 L574 S575 E576	D569-K572 HydrophobicContact CB-CB 3.89Å; D569-K572 VanDerWaalsContact CG-CB 3.49Å; D569-K572 PolarHBondContact O-N 3.45Å; D569-K572 PolarHBondContact OD1-N 3.22Å; D569-K572 WeakPolarHBondContact OD2-CB 3.24Å; K572-L574 VanDerWaalsContact C-N 3.34Å; K572-L574 PolarHBondContact O-N 3.24Å; K572-S575 PolarHBondContact O-N 3.04Å; K572-E576 WeakPolarHBondContact CE-OE1 3.45Å; K572-E576 IonicContact NZ-OE1 3.96Å; K572-E576 PolarHBondContact O-N 3.32Å
573	L	92.2	Very high	88.4	Confident	3 Å²	3	79.5 Å²	79.5	2%	0.016	44%	0.441	C	S	.	.	H	α-helix	trans	-55.7	-49.4	176.6	179.5	66.6	0	0	0	111.2	V536 A537 I561 L568 D569 L570 L577 I590	V536-L573 HydrophobicContact CB-CD1 3.98Å; V536-L573 HydrophobicContact CG1-CD1 3.57Å; A537-L573 HydrophobicContact CB-CD1 4.39Å; I561-L573 HydrophobicContact CD1-CD2 3.64Å; L568-L573 HydrophobicContact CD2-CD2 4.29Å; D569-L573 WeakPolarHBondContact O-CB 3.18Å; D569-L573 PolarHBondContact O-N 3.27Å; L570-L573 HydrophobicContact CD2-CD2 4.4Å; L573-L577 HydrophobicContact CD1-CD1 3.82Å; L573-L577 HydrophobicContact CD1-CG 4.06Å; L573-L577 HydrophobicContact CG-CD1 3.86Å; L573-L577 HydrophobicContact CG-CG 4.4Å; L573-L577 VanDerWaalsContact O-CB 3.3Å; L573-L577 WeakPolarHBondContact O-CB 3.47Å; L573-L577 WeakPolarHBondContact O-CG 3.2Å; L573-L577 PolarHBondContact O-N 3.1Å; L573-I590 HydrophobicContact CD2-CD1 3.67Å
574	L	92.2	Very high	88	Confident	95 Å²	95	82.3 Å²	82.3	50%	0.497	45%	0.451	S	S	.	.	H	α-helix	trans	-63	-44	178.8	178.3	61.8	0	0	0	112.1	L570 S571 K572 S578 I586	L570-L574 WeakPolarHBondContact O-CB 3.34Å; L570-L574 PolarHBondContact O-N 3.11Å; S571-L574 PolarHBondContact O-N 3.43Å; K572-L574 VanDerWaalsContact C-N 3.34Å; K572-L574 PolarHBondContact O-N 3.24Å; L574-S578 VanDerWaalsContact O-CB 3.23Å; L574-S578 WeakPolarHBondContact O-CB 3.13Å; L574-S578 PolarHBondContact O-N 3.49Å; L574-S578 PolarHBondContact O-OG 3.39Å; L574-I586 HydrophobicContact CD1-CG2 4.01Å
575	S	92.9	Very high	88	Confident	81 Å²	81	75.6 Å²	75.6	57%	0.566	42%	0.42	S	S	*	.	H	α-helix	trans	-59.3	-50.4	179.1	-177.1	0	0	0	0	111.4	S571 K572 S578 S579	S571-S575 WeakPolarHBondContact O-CB 3.33Å; S571-S575 PolarHBondContact O-N 3.03Å; K572-S575 PolarHBondContact O-N 3.04Å; S575-S578 PolarHBondContact O-N 2.88Å; S575-S579 PolarHBondContact O-N 3.21Å
576	E	91.7	Very high	88.4	Confident	65 Å²	65	68 Å²	68	30%	0.304	39%	0.388	S	S	.	.	H	α-helix	trans	-67.3	-44.3	179.7	-72.1	-170	-151.8	0	0	111.7	V536 K572 S578 S579 L580	V536-E576 HydrophobicContact CG1-CB 3.7Å; V536-E576 HydrophobicContact CG1-CG 4.27Å; V536-E576 WeakPolarHBondContact CG1-OE2 3.11Å; V536-E576 HydrophobicContact CG2-CB 3.94Å; V536-E576 WeakPolarHBondContact CG2-OE2 3.18Å; K572-E576 WeakPolarHBondContact CE-OE1 3.45Å; K572-E576 IonicContact NZ-OE1 3.96Å; K572-E576 PolarHBondContact O-N 3.32Å; E576-S578 VanDerWaalsContact C-N 3.28Å; E576-S578 PolarHBondContact O-N 3.38Å; E576-S579 WeakPolarHBondContact O-CB 3.46Å; E576-S579 PolarHBondContact O-N 3Å; E576-S579 PolarHBondContact O-OG 2.99Å; E576-L580 WeakPolarHBondContact O-CG 3.19Å; E576-L580 PolarHBondContact O-N 3.19Å
577	L	89.9	Confident	88.8	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-37.8	176.8	-71.4	178	0	0	0	111.7	L532 I533 V536 L573 S579 L580 L581	L532-L577 HydrophobicContact CB-CD2 4.08Å; I533-L577 HydrophobicContact CG1-CD1 4.03Å; I533-L577 HydrophobicContact CG1-CD2 4.13Å; V536-L577 HydrophobicContact CG2-CD2 4.46Å; L573-L577 HydrophobicContact CD1-CD1 3.82Å; L573-L577 HydrophobicContact CD1-CG 4.06Å; L573-L577 HydrophobicContact CG-CD1 3.86Å; L573-L577 HydrophobicContact CG-CG 4.4Å; L573-L577 VanDerWaalsContact O-CB 3.3Å; L573-L577 WeakPolarHBondContact O-CB 3.47Å; L573-L577 WeakPolarHBondContact O-CG 3.2Å; L573-L577 PolarHBondContact O-N 3.1Å; L577-S579 PolarHBondContact O-N 2.64Å; L577-L580 PolarHBondContact O-N 3.42Å; L577-L580 VanDerWaalsContact O-N 3.09Å; L577-L581 HydrophobicContact CD2-CD1 4.11Å; L577-L581 WeakPolarHBondContact O-CB 3.26Å; L577-L581 PolarHBondContact O-N 2.98Å
578	S	89.4	Confident	89	Confident	63 Å²	63	64.8 Å²	64.8	44%	0.441	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-24.2	176.8	-59.5	0	0	0	0	113.1	L574 S575 E576	L574-S578 VanDerWaalsContact O-CB 3.23Å; L574-S578 WeakPolarHBondContact O-CB 3.13Å; L574-S578 PolarHBondContact O-N 3.49Å; L574-S578 PolarHBondContact O-OG 3.39Å; S575-S578 PolarHBondContact O-N 2.88Å; E576-S578 VanDerWaalsContact C-N 3.28Å; E576-S578 PolarHBondContact O-N 3.38Å
579	S	87.6	Confident	89.3	Confident	95 Å²	95	67.1 Å²	67.1	66%	0.664	36%	0.361	S	S	*	.	H	α-helix	trans	-81.4	-21.5	173.8	77.9	0	0	0	0	113.5	S575 E576 L577	S575-S579 PolarHBondContact O-N 3.21Å; E576-S579 WeakPolarHBondContact O-CB 3.46Å; E576-S579 PolarHBondContact O-N 3Å; E576-S579 PolarHBondContact O-OG 2.99Å; L577-S579 PolarHBondContact O-N 2.64Å
580	L	84.6	Confident	89.4	Confident	74 Å²	74	66.1 Å²	66.1	39%	0.387	36%	0.355	S	S	.	.	H	α-helix	trans	-108.3	-27.2	-171.2	-64.1	169.8	0	0	0	113.4	L532 V536 E576 L577	L532-L580 HydrophobicContact CD1-CB 4.3Å; L532-L580 HydrophobicContact CD2-CB 4.43Å; L532-L580 HydrophobicContact CD2-CD1 4.21Å; V536-L580 HydrophobicContact CG2-CD1 4.11Å; E576-L580 WeakPolarHBondContact O-CG 3.19Å; E576-L580 PolarHBondContact O-N 3.19Å; L577-L580 PolarHBondContact O-N 3.42Å; L577-L580 VanDerWaalsContact O-N 3.09Å
581	L	84	Confident	89.4	Confident	11 Å²	11	69 Å²	69	6%	0.058	36%	0.36	C	S	.	.	S	Bend	trans	-117.3	146.5	-175.7	-74.6	172.5	0	0	0	111.7	V529 L532 L577 A585 I586	V529-L581 HydrophobicContact CB-CD1 4.48Å; V529-L581 HydrophobicContact CG1-CD1 4.05Å; V529-L581 HydrophobicContact CG2-CD1 4.09Å; V529-L581 HydrophobicContact CG2-CD2 4.31Å; L532-L581 HydrophobicContact CD1-CD1 4.13Å; L532-L581 HydrophobicContact CD1-CD2 3.45Å; L532-L581 VanDerWaalsContact CD1-CD2 3.45Å; L532-L581 HydrophobicContact CD1-CG 3.57Å; L577-L581 HydrophobicContact CD2-CD1 4.11Å; L577-L581 WeakPolarHBondContact O-CB 3.26Å; L577-L581 PolarHBondContact O-N 2.98Å; L581-A585 HydrophobicContact CB-CB 4.39Å; L581-A585 HydrophobicContact CD2-CB 4.09Å; L581-I586 HydrophobicContact CB-CG1 3.96Å
582	P	78.1	Confident	89.4	Confident	56 Å²	56	68.7 Å²	68.7	36%	0.364	35%	0.351	S	S	.	.			trans	-64.9	149.8	167	28.9	-33.6	0	0	0	110.6	Y584 A585	P582-Y584 HydrophobicContact CB-CD1 3.9Å; P582-Y584 HydrophobicContact CB-CE1 3.49Å; P582-Y584 VanDerWaalsContact CB-CE1 3.49Å; P582-Y584 HydrophobicContact CB-CE2 4.49Å; P582-Y584 HydrophobicContact CG-CD1 4.26Å; P582-Y584 HydrophobicContact CG-CD2 4.43Å; P582-Y584 HydrophobicContact CG-CE1 3.66Å; P582-Y584 HydrophobicContact CG-CE2 3.81Å; P582-Y584 VanDerWaalsContact CG-CZ 3.4Å; P582-Y584 PolarHBondContact O-N 3.25Å; P582-A585 HydrophobicContact CG-CB 3.91Å; P582-A585 PolarHBondContact O-N 2.74Å
583	K	85.8	Confident	89.2	Confident	199 Å²	199	65.2 Å²	65.2	87%	0.865	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-33.2	-175.3	-90.7	-173.9	176.3	179.1	0	115
584	Y	81.6	Confident	88.8	Confident	80 Å²	80	75.3 Å²	75.3	31%	0.314	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.7	-178.7	62.8	-103.7	0	0	0	113.6	E522 V524 P582	E522-Y584 HydrophobicContact CB-CD1 3.89Å; E522-Y584 HydrophobicContact CB-CD2 3.41Å; E522-Y584 VanDerWaalsContact CB-CD2 3.41Å; E522-Y584 HydrophobicContact CB-CE1 4.05Å; E522-Y584 HydrophobicContact CB-CE2 3.65Å; E522-Y584 HydrophobicContact CB-CG 3.56Å; E522-Y584 HydrophobicContact CG-CD1 3.64Å; E522-Y584 HydrophobicContact CG-CD2 4.14Å; E522-Y584 HydrophobicContact CG-CE1 3.82Å; E522-Y584 HydrophobicContact CG-CE2 4.35Å; E522-Y584 HydrophobicContact CG-CG 3.8Å; V524-Y584 HydrophobicContact CG2-CD2 3.87Å; V524-Y584 HydrophobicContact CG2-CE2 4.31Å; P582-Y584 HydrophobicContact CB-CD1 3.9Å; P582-Y584 HydrophobicContact CB-CE1 3.49Å; P582-Y584 VanDerWaalsContact CB-CE1 3.49Å; P582-Y584 HydrophobicContact CB-CE2 4.49Å; P582-Y584 HydrophobicContact CG-CD1 4.26Å; P582-Y584 HydrophobicContact CG-CD2 4.43Å; P582-Y584 HydrophobicContact CG-CE1 3.66Å; P582-Y584 HydrophobicContact CG-CE2 3.81Å; P582-Y584 VanDerWaalsContact CG-CZ 3.4Å; P582-Y584 PolarHBondContact O-N 3.25Å
585	A	84.5	Confident	88	Confident	4 Å²	4	78.5 Å²	78.5	3%	0.033	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.8	-178	0	0	0	0	0	113	V524 V529 L581 P582 P587	V524-A585 HydrophobicContact CG1-CB 3.94Å; V524-A585 HydrophobicContact CG2-CB 4.16Å; V529-A585 HydrophobicContact CG2-CB 4.38Å; L581-A585 HydrophobicContact CB-CB 4.39Å; L581-A585 HydrophobicContact CD2-CB 4.09Å; P582-A585 HydrophobicContact CG-CB 3.91Å; P582-A585 PolarHBondContact O-N 2.74Å; A585-P587 WeakPolarHBondContact O-CD 3.3Å
586	I	91.8	Very high	86.9	Confident	21 Å²	21	77 Å²	77	11%	0.108	38%	0.375	C	S	.	.	S	Bend	trans	-66.1	126	176.6	-57.2	171.5	0	0	0	108.8	L574 L581 I588	L574-I586 HydrophobicContact CD1-CG2 4.01Å; L581-I586 HydrophobicContact CB-CG1 3.96Å; I586-I588 PolarHBondContact O-N 3.31Å
587	P	92.7	Very high	85.5	Confident	14 Å²	14	81.7 Å²	81.7	9%	0.091	40%	0.402	C	S	.	.			trans	-56.9	130.2	175	-22.4	31.3	0	0	0	111.4	V529 I533 G557 A559 A585	V529-P587 HydrophobicContact CG1-CG 3.79Å; I533-P587 HydrophobicContact CD1-CG 4.03Å; G557-P587 CarbonylContact O-C 3.59Å; G557-P587 WeakPolarHBondContact O-CA 3.17Å; A559-P587 HydrophobicContact CB-CB 3.85Å; A559-P587 HydrophobicContact CB-CG 3.79Å; A585-P587 WeakPolarHBondContact O-CD 3.3Å
588	I	92.6	Very high	84	Confident	89 Å²	89	85.9 Å²	85.9	46%	0.456	42%	0.424	S	S	.	.	S	Bend	trans	-81.6	-34.8	176.4	-63.5	-177.5	0	0	0	110.2	W519 A556 G557 I586	W519-I588 HydrophobicContact CD2-CD1 4.44Å; W519-I588 HydrophobicContact CH2-CD1 4.07Å; W519-I588 HydrophobicContact CZ2-CD1 3.17Å; A556-I588 HydrophobicContact CB-CB 4.45Å; A556-I588 HydrophobicContact CB-CD1 4Å; G557-I588 PolarHBondContact O-N 3.21Å; I586-I588 PolarHBondContact O-N 3.31Å
589	F	94.5	Very high	82.3	Confident	83 Å²	83	87.4 Å²	87.4	36%	0.364	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.9	178.9	-56.8	-74.5	0	0	0	110.1	V547 V549 A556 G557 M558 A559	V547-F589 HydrophobicContact CG2-CD2 3.71Å; V547-F589 HydrophobicContact CG2-CE2 4.01Å; V549-F589 HydrophobicContact CG2-CE2 3.78Å; V549-F589 HydrophobicContact CG2-CZ 4.16Å; A556-F589 HydrophobicContact CB-CD2 4.25Å; A556-F589 HydrophobicContact CB-CE2 3.87Å; G557-F589 PolarHBondContact O-N 3.1Å; M558-F589 CarbonylContact C-O 3.56Å; M558-F589 WeakPolarHBondContact CA-O 3.45Å; M558-F589 HydrophobicContact CB-CB 4.29Å; M558-F589 HydrophobicContact CE-CB 3.48Å; M558-F589 VanDerWaalsContact CE-CB 3.48Å; M558-F589 HydrophobicContact CE-CG 4.23Å; M558-F589 HydrophobicContact CG-CB 4.45Å; M558-F589 HydrophobicContact SD-CB 3.41Å; M558-F589 WeakPolarHBondContact SD-CB 3.4Å; A559-F589 PolarHBondContact N-O 2.9Å
590	I	93.9	Very high	80.4	Confident	67 Å²	67	83.7 Å²	83.7	34%	0.344	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.4	170.1	-63.2	-170.3	0	0	0	108.3	A559 I561 L570 L573 L592	A559-I590 CarbonylContact O-C 3.54Å; A559-I590 WeakPolarHBondContact O-CA 3.31Å; I561-I590 HydrophobicContact CD1-CD1 4.38Å; I561-I590 HydrophobicContact CD1-CG2 4.06Å; I561-I590 HydrophobicContact CG1-CG2 4.49Å; L570-I590 HydrophobicContact CD2-CD1 4.19Å; L570-I590 HydrophobicContact CD2-CG2 4.23Å; L573-I590 HydrophobicContact CD2-CD1 3.67Å; I590-L592 HydrophobicContact CG2-CD2 3.92Å; I590-L592 HydrophobicContact CG2-CG 4.46Å
591	R	92.9	Very high	78.3	Confident	141 Å²	141	85.1 Å²	85.1	53%	0.532	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.1	170.4	175.9	-179.8	-76.7	-176.7	-5.5	108.6	M558 A559 S560 I561	M558-R591 HydrophobicContact SD-CB 4Å; A559-R591 PolarHBondContact O-N 3.06Å; S560-R591 CarbonylContact C-O 3.6Å; S560-R591 VanDerWaalsContact CA-O 3.26Å; S560-R591 WeakPolarHBondContact CA-O 3.42Å; I561-R591 PolarHBondContact N-O 2.75Å
592	L	92	Very high	76	Confident	87 Å²	87	89.4 Å²	89.4	46%	0.455	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.7	172.1	-58.4	179.7	0	0	0	109.8	I561 D563 L568 L570 I590	I561-L592 HydrophobicContact CB-CD2 4.45Å; I561-L592 WeakPolarHBondContact O-CA 3.3Å; D563-L592 HydrophobicContact CB-CD2 4.42Å; L568-L592 HydrophobicContact CD2-CD2 3.8Å; L570-L592 HydrophobicContact CD2-CD2 4.42Å; I590-L592 HydrophobicContact CG2-CD2 3.92Å; I590-L592 HydrophobicContact CG2-CG 4.46Å
593	C	88.9	Confident	75.9	Confident	38 Å²	38	91.1 Å²	91.1	26%	0.257	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.9	179.7	-67.7	0	0	0	0	109.4	I561 V562 D563	I561-C593 PolarHBondContact O-N 3.37Å; V562-C593 CarbonylContact C-O 3.58Å; V562-C593 VanDerWaalsContact CA-O 3.26Å; V562-C593 WeakPolarHBondContact CA-O 3.37Å; V562-C593 HydrophobicContact CG2-CB 4.43Å; D563-C593 PolarHBondContact N-O 3.06Å
594	R	82.6	Confident	75.4	Confident	214 Å²	214	85.4 Å²	85.4	81%	0.808	40%	0.404	S	S	*	.	S	Bend	trans	-79.9	-22.8	171.2	-71.7	-172.8	178.7	178.7	0.2	113	E564	E564-R594 WeakPolarHBondContact CG-O 3.4Å
595	K	75.5	Confident	75	Confident	163 Å²	163	85.7 Å²	85.7	71%	0.709	41%	0.409	S	S	*	.	S	Bend	trans	-157.6	148.9	-178.8	-167	173.2	179.4	177.6	0	110.1
596	V	69.9	Low	74.5	Confident	50 Å²	50	90.5 Å²	90.5	30%	0.303	43%	0.431	S	S	.	.			trans	-84.8	141.2	169	-178.2	0	0	0	0	110.7	D541 V562 L598	D541-V596 HydrophobicContact CB-CG2 3.41Å; D541-V596 VanDerWaalsContact CB-CG2 3.41Å; V562-V596 HydrophobicContact CG2-CB 4.33Å; V562-V596 HydrophobicContact CG2-CG2 3.2Å; V596-L598 HydrophobicContact CG1-CD2 4.38Å; V596-L598 PolarHBondContact O-N 2.82Å; V596-L598 VanDerWaalsContact O-N 3.09Å
597	N	62.6	Low	73.4	Confident	163 Å²	163	94.9 Å²	94.9	87%	0.872	45%	0.451	S	S	*	.			trans	-72.9	93.9	162.9	-74.7	-24.8	0	0	0	109.3
598	L	58.6	Low	72.1	Confident	91 Å²	91	100.3 Å²	100.3	48%	0.476	48%	0.475	S	S	.	.			trans	-74.3	136.3	178.5	-66.5	166.8	0	0	0	110.7	V596 Y602	V596-L598 HydrophobicContact CG1-CD2 4.38Å; V596-L598 PolarHBondContact O-N 2.82Å; V596-L598 VanDerWaalsContact O-N 3.09Å; L598-Y602 HydrophobicContact CD2-CD2 4.04Å; L598-Y602 HydrophobicContact CD2-CE2 4.49Å
599	T	53.3	Low	70.7	Confident	96 Å²	96	101.1 Å²	101.1	59%	0.589	48%	0.477	S	S	*	.			trans	-82.2	153.2	166.5	60.4	0	0	0	0	109.3	R601 Y602	T599-R601 PolarHBondContact O-N 3.3Å; T599-Y602 WeakPolarHBondContact O-CD2 3.34Å
600	G	47.2	Very low	68.8	Low	17 Å²	17	102.5 Å²	102.5	18%	0.175	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	9.6	-169.5	0	0	0	0	0	118.1	Y293 Y602	Y293-G600 PolarHBondContact OH-O 3.46Å; G600-Y602 PolarHBondContact O-N 2.8Å
601	R	40.9	Very low	66.7	Low	103 Å²	103	105.4 Å²	105.4	39%	0.389	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.9	174.3	-69.5	-169.3	-176.4	-162.9	-1.2	114	T599	T599-R601 PolarHBondContact O-N 3.3Å
602	Y	36.3	Very low	64.4	Low	102 Å²	102	102.2 Å²	102.2	40%	0.4	49%	0.494	S	S	.	.			trans	-125.5	0	-173.4	-49.8	-72.6	0	0	0	111.8	I338 E340 L598 T599 G600	I338-Y602 HydrophobicContact CD1-CD1 3.8Å; I338-Y602 HydrophobicContact CD1-CE1 3.39Å; I338-Y602 HydrophobicContact CG1-CE1 4.43Å; E340-Y602 HydrophobicContact CB-CD1 4.36Å; E340-Y602 HydrophobicContact CB-CE1 3.69Å; E340-Y602 HydrophobicContact CG-CE1 3.98Å; L598-Y602 HydrophobicContact CD2-CD2 4.04Å; L598-Y602 HydrophobicContact CD2-CE2 4.49Å; T599-Y602 WeakPolarHBondContact O-CD2 3.34Å; G600-Y602 PolarHBondContact O-N 2.8Å

Retrieved 602 of 602 residues in 660.1 ms (Link to these results)

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