A0A087XUB4_POEFO Loading...

Mini-chromosome maintenance complex-binding protein

AlphaFold DB , UniProt , Accession A0A087XUB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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	28.2	Very low	64.6	Low	223 Å²	223	91.1 Å²	91.1	100%	1.099	50%	0.501	S	S	*	.				0	93.7	0	-67.7	-73.8	-174.4	0	0	106.4	S3	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.47Å
2	P	34.5	Very low	66.3	Low	118 Å²	118	84.3 Å²	84.3	77%	0.766	46%	0.464	S	S	*	.			trans	-82.7	80.7	-172.9	32.8	-29.5	0	0	0	109.5
3	S	44.8	Very low	67.7	Low	97 Å²	97	79.4 Å²	79.4	68%	0.678	44%	0.444	S	S	*	.			trans	-86.5	92.9	165.2	49.7	0	0	0	0	108	M1	M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.47Å
4	T	49.3	Very low	68.8	Low	143 Å²	143	74.6 Å²	74.6	88%	0.877	42%	0.418	S	S	*	.			trans	161.2	44.9	159.5	35.3	0	0	0	0	112.6
5	H	54.9	Low	69.9	Low	122 Å²	122	69.8 Å²	69.8	57%	0.565	39%	0.391	S	S	*	.			trans	-98.2	132.7	160.7	-79.1	-77.6	0	0	0	108.5	W7 V14	H5-W7 PolarHBondContact O-N 3.15Å; H5-V14 HydrophobicContact CB-CG2 3.94Å
6	D	75.6	Confident	70.8	Confident	89 Å²	89	68.7 Å²	68.7	48%	0.476	38%	0.382	S	S	.	.			trans	-70.1	74.2	174	-173	-7.2	0	0	0	109.3	I8 N9 D10	D6-I8 PolarHBondContact O-N 3.38Å; D6-I8 VanDerWaalsContact O-N 3.14Å; D6-N9 VanDerWaalsContact CG-ND2 3.27Å; D6-N9 PolarHBondContact O-N 3.24Å; D6-N9 PolarHBondContact OD1-N 3.21Å; D6-N9 VanDerWaalsContact OD1-N 3.13Å; D6-N9 PolarHBondContact OD1-ND2 3.41Å; D6-N9 WeakPolarHBondContact OD2-CB 3.24Å; D6-N9 PolarHBondContact OD2-ND2 3.07Å; D6-D10 CarbonylContact O-C 3.59Å; D6-D10 PolarHBondContact O-N 3.37Å
7	W	81.7	Confident	71.5	Confident	40 Å²	40	67.1 Å²	67.1	15%	0.152	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14	-172.9	61.5	-90.5	0	0	0	113.4	H5 P11 V14 F37 F38 Q41 L42 A47 V51 L67	H5-W7 PolarHBondContact O-N 3.15Å; W7-P11 WeakPolarHBondContact O-CB 3.35Å; W7-V14 HydrophobicContact CB-CG2 4.13Å; W7-F37 HydrophobicContact CB-CE1 4.33Å; W7-F38 HydrophobicContact CB-CE1 4.35Å; W7-F38 HydrophobicContact CE3-CD1 4.31Å; W7-F38 HydrophobicContact CE3-CE1 4.41Å; W7-Q41 HydrophobicContact CH2-CB 4.3Å; W7-Q41 HydrophobicContact CZ2-CB 4.29Å; W7-Q41 HydrophobicContact CZ3-CB 4.48Å; W7-L42 HydrophobicContact CH2-CD2 4.34Å; W7-L42 HydrophobicContact CZ3-CD2 4.17Å; W7-A47 HydrophobicContact CH2-CB 4.05Å; W7-A47 HydrophobicContact CZ2-CB 4.16Å; W7-V51 HydrophobicContact CZ3-CG2 4.48Å; W7-L67 HydrophobicContact CE3-CD2 3.77Å; W7-L67 HydrophobicContact CZ3-CD2 3.44Å; W7-L67 VanDerWaalsContact CZ3-CD2 3.44Å
8	I	83.4	Confident	72.2	Confident	25 Å²	25	66.2 Å²	66.2	13%	0.128	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-48.1	174.6	-60.5	176.9	0	0	0	110.1	D6 L50 S66 L67	D6-I8 PolarHBondContact O-N 3.38Å; D6-I8 VanDerWaalsContact O-N 3.14Å; I8-L50 HydrophobicContact CD1-CB 4.1Å; I8-S66 WeakPolarHBondContact O-CB 3.45Å; I8-L67 WeakPolarHBondContact O-CB 3.18Å; I8-L67 PolarHBondContact O-N 2.88Å
9	N	85.7	Confident	72.9	Confident	69 Å²	69	63.7 Å²	63.7	37%	0.369	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.2	-176.7	-60.9	-57.5	0	0	0	114.5	D6 K63	D6-N9 VanDerWaalsContact CG-ND2 3.27Å; D6-N9 PolarHBondContact O-N 3.24Å; D6-N9 PolarHBondContact OD1-N 3.21Å; D6-N9 VanDerWaalsContact OD1-N 3.13Å; D6-N9 PolarHBondContact OD1-ND2 3.41Å; D6-N9 WeakPolarHBondContact OD2-CB 3.24Å; D6-N9 PolarHBondContact OD2-ND2 3.07Å; N9-K63 HydrophobicContact CB-CD 4.5Å; N9-K63 PolarHBondContact O-NZ 2.93Å
10	D	86.4	Confident	73.4	Confident	76 Å²	76	63.4 Å²	63.4	41%	0.406	37%	0.367	S	S	.	.			trans	-143.9	66.2	175.5	-175.7	20.8	0	0	0	111.8	D6 L12 G13	D6-D10 CarbonylContact O-C 3.59Å; D6-D10 PolarHBondContact O-N 3.37Å; D10-L12 VanDerWaalsContact C-N 3.27Å; D10-L12 PolarHBondContact O-N 3.33Å; D10-G13 PolarHBondContact OD1-N 3.46Å
11	P	86.4	Confident	73.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-29.7	173.4	26.2	-35.9	0	0	0	112.9	W7 V14 V15 F38 D65 L67 I255	W7-P11 WeakPolarHBondContact O-CB 3.35Å; P11-V14 WeakPolarHBondContact O-CB 3.34Å; P11-V14 PolarHBondContact O-N 3.23Å; P11-V15 WeakPolarHBondContact O-CG2 3.49Å; P11-V15 PolarHBondContact O-N 2.9Å; P11-F38 HydrophobicContact CB-CE1 4.03Å; P11-F38 HydrophobicContact CB-CZ 3.88Å; P11-D65 VanDerWaalsContact CD-O 3.24Å; P11-D65 WeakPolarHBondContact CD-O 3.07Å; P11-D65 WeakPolarHBondContact CG-O 3.25Å; P11-L67 HydrophobicContact CG-CB 4.31Å; P11-I255 HydrophobicContact CB-CD1 3.76Å; P11-I255 HydrophobicContact CB-CG1 4Å; P11-I255 HydrophobicContact CG-CB 4.43Å; P11-I255 HydrophobicContact CG-CD1 3.77Å; P11-I255 HydrophobicContact CG-CG1 3.72Å; P11-I255 HydrophobicContact CG-CG2 4.07Å
12	L	84.9	Confident	76.1	Confident	10 Å²	10	53.2 Å²	53.2	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-67.4	-40	-179.5	-66.8	173.5	0	0	0	111.7	D10 V14 V15 E16 D65 K105 I255	D10-L12 VanDerWaalsContact C-N 3.27Å; D10-L12 PolarHBondContact O-N 3.33Å; L12-V14 PolarHBondContact O-N 3.05Å; L12-V15 PolarHBondContact O-N 3.2Å; L12-V15 VanDerWaalsContact O-N 3.16Å; L12-E16 WeakPolarHBondContact O-CG 3.33Å; L12-E16 PolarHBondContact O-N 2.89Å; L12-D65 HydrophobicContact CD1-CB 3.65Å; L12-K105 HydrophobicContact CD1-CG 4.16Å; L12-K105 HydrophobicContact CD2-CG 4.09Å; L12-I255 HydrophobicContact CD1-CG2 4.24Å; L12-I255 HydrophobicContact CD2-CD1 3.44Å; L12-I255 VanDerWaalsContact CD2-CD1 3.44Å; L12-I255 HydrophobicContact CD2-CG2 4.24Å; L12-I255 HydrophobicContact CG-CD1 3.94Å; L12-I255 HydrophobicContact CG-CG2 4.07Å
13	G	83.7	Confident	77.9	Confident	20 Å²	20	52.4 Å²	52.4	21%	0.206	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-33.4	173.7	0	0	0	0	0	113.3	D10 G17	D10-G13 PolarHBondContact OD1-N 3.46Å; G13-G17 PolarHBondContact O-N 2.96Å
14	V	84.3	Confident	78.7	Confident	12 Å²	12	52.8 Å²	52.8	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-48	174.7	179.9	0	0	0	0	111	H5 W7 P11 L12 E16 G17 M18 F37 F38	H5-V14 HydrophobicContact CB-CG2 3.94Å; W7-V14 HydrophobicContact CB-CG2 4.13Å; P11-V14 WeakPolarHBondContact O-CB 3.34Å; P11-V14 PolarHBondContact O-N 3.23Å; L12-V14 PolarHBondContact O-N 3.05Å; V14-E16 VanDerWaalsContact C-N 3.35Å; V14-E16 PolarHBondContact O-N 3.48Å; V14-G17 PolarHBondContact O-N 3.07Å; V14-M18 HydrophobicContact CG1-CE 3.79Å; V14-M18 WeakPolarHBondContact O-CG 3.44Å; V14-M18 PolarHBondContact O-N 3.37Å; V14-F37 HydrophobicContact CG1-CD1 4.1Å; V14-F37 HydrophobicContact CG1-CE1 3.91Å; V14-F38 HydrophobicContact CB-CZ 4.25Å; V14-F38 HydrophobicContact CG1-CZ 4.28Å
15	V	85.4	Confident	79.1	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-45.9	177.7	173.6	0	0	0	0	110.6	P11 L12 M18 F19 W30 F38 Y104	P11-V15 WeakPolarHBondContact O-CG2 3.49Å; P11-V15 PolarHBondContact O-N 2.9Å; L12-V15 PolarHBondContact O-N 3.2Å; L12-V15 VanDerWaalsContact O-N 3.16Å; V15-M18 PolarHBondContact O-N 3.18Å; V15-F19 WeakPolarHBondContact O-CB 3.45Å; V15-F19 PolarHBondContact O-N 2.9Å; V15-W30 HydrophobicContact CG1-CH2 4.09Å; V15-W30 HydrophobicContact CG1-CZ3 3.69Å; V15-F38 HydrophobicContact CG2-CE2 4.03Å; V15-F38 HydrophobicContact CG2-CZ 4.49Å; V15-Y104 HydrophobicContact CG1-CD2 3.93Å; V15-Y104 HydrophobicContact CG1-CE2 4.15Å; V15-Y104 HydrophobicContact CG2-CD2 4.22Å; V15-Y104 HydrophobicContact CG2-CE2 4.38Å
16	E	84.2	Confident	78.9	Confident	52 Å²	52	53 Å²	53	24%	0.243	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-40.4	178.1	-73	-175.5	174.3	0	0	112.9	L12 V14 M18 F19 A20 K105	L12-E16 WeakPolarHBondContact O-CG 3.33Å; L12-E16 PolarHBondContact O-N 2.89Å; V14-E16 VanDerWaalsContact C-N 3.35Å; V14-E16 PolarHBondContact O-N 3.48Å; E16-M18 VanDerWaalsContact C-N 3.33Å; E16-M18 PolarHBondContact O-N 3.2Å; E16-F19 PolarHBondContact O-N 3.44Å; E16-A20 WeakPolarHBondContact O-CB 3.48Å; E16-A20 PolarHBondContact O-N 3.46Å; E16-K105 IonicContact OE1-NZ 2.69Å; E16-K105 PolarHBondContact OE1-NZ 2.71Å
17	G	82.9	Confident	77.6	Confident	42 Å²	42	51 Å²	51	43%	0.433	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-41.8	175	0	0	0	0	0	112.2	G13 V14 A21	G13-G17 PolarHBondContact O-N 2.96Å; V14-G17 PolarHBondContact O-N 3.07Å; G17-A21 WeakPolarHBondContact O-CB 3.06Å; G17-A21 PolarHBondContact O-N 3.17Å
18	M	84.2	Confident	76.4	Confident	50 Å²	50	55 Å²	55	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-68.2	-36.7	175.5	-67.7	-169.7	-173.2	0	0	112.5	V14 V15 E16 A21 S22 W30 A34 F37	V14-M18 HydrophobicContact CG1-CE 3.79Å; V14-M18 WeakPolarHBondContact O-CG 3.44Å; V14-M18 PolarHBondContact O-N 3.37Å; V15-M18 PolarHBondContact O-N 3.18Å; E16-M18 VanDerWaalsContact C-N 3.33Å; E16-M18 PolarHBondContact O-N 3.2Å; M18-A21 PolarHBondContact O-N 2.97Å; M18-S22 PolarHBondContact O-N 3.48Å; M18-S22 VanDerWaalsContact O-N 3.1Å; M18-W30 HydrophobicContact CB-CE3 4.45Å; M18-A34 VanDerWaalsContact SD-CA 3.58Å; M18-A34 HydrophobicContact SD-CB 3.77Å; M18-F37 HydrophobicContact CE-CB 3.79Å; M18-F37 HydrophobicContact CE-CD1 4.05Å; M18-F37 HydrophobicContact CE-CD2 4.09Å; M18-F37 HydrophobicContact CE-CG 3.7Å
19	F	84	Confident	75.8	Confident	19 Å²	19	55.3 Å²	55.3	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-44.9	174.2	179.2	-111.6	0	0	0	112.3	V15 E16 A21 S22 Q23 W30 V86 C101	V15-F19 WeakPolarHBondContact O-CB 3.45Å; V15-F19 PolarHBondContact O-N 2.9Å; E16-F19 PolarHBondContact O-N 3.44Å; F19-A21 VanDerWaalsContact C-N 3.29Å; F19-A21 PolarHBondContact O-N 3.09Å; F19-S22 PolarHBondContact O-N 3.36Å; F19-S22 VanDerWaalsContact O-N 3.1Å; F19-S22 PolarHBondContact O-OG 3.18Å; F19-Q23 VanDerWaalsContact CZ-NE2 3.35Å; F19-Q23 PolarHBondContact O-N 3.3Å; F19-Q23 VanDerWaalsContact O-N 3.13Å; F19-W30 HydrophobicContact CB-CD2 4.31Å; F19-W30 HydrophobicContact CB-CE3 4.22Å; F19-W30 HydrophobicContact CB-CH2 4.43Å; F19-W30 HydrophobicContact CB-CZ2 4.49Å; F19-W30 HydrophobicContact CB-CZ3 4.28Å; F19-W30 HydrophobicContact CD2-CD2 4.16Å; F19-W30 AromaticContact CD2-CE2 3.57Å; F19-W30 HydrophobicContact CD2-CH2 4.38Å; F19-W30 AromaticContact CD2-CZ2 3.69Å; F19-W30 HydrophobicContact CD2-CZ2 3.69Å; F19-W30 AromaticContact CD2-NE1 3.73Å; F19-W30 HydrophobicContact CE2-CZ2 4.36Å; F19-W30 HydrophobicContact CG-CZ2 4.45Å; F19-V86 HydrophobicContact CE2-CG2 3.95Å; F19-V86 HydrophobicContact CZ-CG1 3.94Å; F19-V86 HydrophobicContact CZ-CG2 3.95Å; F19-C101 HydrophobicContact CD1-CB 3.9Å; F19-C101 HydrophobicContact CD2-CB 4.45Å; F19-C101 HydrophobicContact CE1-CB 4.15Å; F19-C101 HydrophobicContact CG-CB 4.04Å
20	A	82.9	Confident	75.4	Confident	57 Å²	57	53 Å²	53	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-38.8	175.8	0	0	0	0	0	111.6	E16 S22 Q23	E16-A20 WeakPolarHBondContact O-CB 3.48Å; E16-A20 PolarHBondContact O-N 3.46Å; A20-S22 VanDerWaalsContact C-N 3.31Å; A20-S22 PolarHBondContact O-N 2.92Å; A20-Q23 PolarHBondContact O-N 3.28Å
21	A	80.1	Confident	75	Confident	51 Å²	51	52.2 Å²	52.2	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-34.6	174.8	0	0	0	0	0	112.7	G17 M18 F19 Q23 S24 S25	G17-A21 WeakPolarHBondContact O-CB 3.06Å; G17-A21 PolarHBondContact O-N 3.17Å; M18-A21 PolarHBondContact O-N 2.97Å; F19-A21 VanDerWaalsContact C-N 3.29Å; F19-A21 PolarHBondContact O-N 3.09Å; A21-Q23 VanDerWaalsContact C-N 3.35Å; A21-S24 PolarHBondContact O-N 3.06Å; A21-S24 PolarHBondContact O-OG 3.3Å; A21-S25 PolarHBondContact O-N 3.37Å; A21-S25 PolarHBondContact O-OG 3.27Å
22	S	78.1	Confident	74.7	Confident	22 Å²	22	54.6 Å²	54.6	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-74.8	-22.2	177.3	78.9	0	0	0	0	113.3	M18 F19 A20 S24 S25	M18-S22 PolarHBondContact O-N 3.48Å; M18-S22 VanDerWaalsContact O-N 3.1Å; F19-S22 PolarHBondContact O-N 3.36Å; F19-S22 VanDerWaalsContact O-N 3.1Å; F19-S22 PolarHBondContact O-OG 3.18Å; A20-S22 VanDerWaalsContact C-N 3.31Å; A20-S22 PolarHBondContact O-N 2.92Å; S22-S24 PolarHBondContact O-N 2.96Å; S22-S25 PolarHBondContact O-N 3.31Å
23	Q	72.1	Confident	74.6	Confident	101 Å²	101	59.4 Å²	59.4	47%	0.472	37%	0.367	S	S	.	.	H	α-helix	trans	-68.3	-27.2	169.6	-66.5	-179	0.4	0	0	112.3	F19 A20 A21	F19-Q23 VanDerWaalsContact CZ-NE2 3.35Å; F19-Q23 PolarHBondContact O-N 3.3Å; F19-Q23 VanDerWaalsContact O-N 3.13Å; A20-Q23 PolarHBondContact O-N 3.28Å; A21-Q23 VanDerWaalsContact C-N 3.35Å
24	S	63.4	Low	74.5	Confident	105 Å²	105	58.5 Å²	58.5	73%	0.734	36%	0.358	S	S	*	.	H	α-helix	trans	-88.7	-15.7	178.7	71.7	0	0	0	0	114.4	A21 S22	A21-S24 PolarHBondContact O-N 3.06Å; A21-S24 PolarHBondContact O-OG 3.3Å; S22-S24 PolarHBondContact O-N 2.96Å
25	S	57	Low	74.5	Confident	55 Å²	55	59.6 Å²	59.6	39%	0.385	36%	0.364	S	S	.	.	S	Bend	trans	-127.8	129.1	-177.4	54.6	0	0	0	0	110	A21 S22 S27	A21-S25 PolarHBondContact O-N 3.37Å; A21-S25 PolarHBondContact O-OG 3.27Å; S22-S25 PolarHBondContact O-N 3.31Å; S25-S27 PolarHBondContact O-N 3.4Å
26	Q	50.8	Low	74.5	Confident	216 Å²	216	65.3 Å²	65.3	100%	1.009	39%	0.391	S	S	*	.	S	Bend	trans	-64.3	23.4	-176.2	-75.8	175	-21.4	0	0	115.5
27	S	47.9	Very low	74.6	Confident	47 Å²	47	65.9 Å²	65.9	33%	0.329	39%	0.393	S	S	.	.			trans	-95.3	113.2	177	81	0	0	0	0	111.3	S25 G29	S25-S27 PolarHBondContact O-N 3.4Å; S27-G29 PolarHBondContact O-N 3.34Å; S27-G29 VanDerWaalsContact O-N 3.15Å
28	S	57.3	Low	74.7	Confident	124 Å²	124	63.9 Å²	63.9	87%	0.867	37%	0.372	S	S	*	.			trans	-79.1	21.5	179.9	56.9	0	0	0	0	114.8
29	G	69.6	Low	74.7	Confident	30 Å²	30	66.1 Å²	66.1	31%	0.309	38%	0.38	S	S	.	.			trans	-118	26.3	-170.3	0	0	0	0	0	114.9	S27 E31 K33	S27-G29 PolarHBondContact O-N 3.34Å; S27-G29 VanDerWaalsContact O-N 3.15Å; G29-E31 VanDerWaalsContact C-N 3.27Å; G29-E31 PolarHBondContact O-N 3.4Å; G29-K33 WeakPolarHBondContact O-CG 3.47Å; G29-K33 PolarHBondContact O-N 3.09Å
30	W	77.7	Confident	74.7	Confident	21 Å²	21	70.1 Å²	70.1	8%	0.08	40%	0.399	C	S	.	.	H	α-helix	trans	-68.6	-27.8	-176.4	73.8	-89	0	0	0	112.9	V15 M18 F19 K33 A34 C101 K103	V15-W30 HydrophobicContact CG1-CH2 4.09Å; V15-W30 HydrophobicContact CG1-CZ3 3.69Å; M18-W30 HydrophobicContact CB-CE3 4.45Å; F19-W30 HydrophobicContact CB-CD2 4.31Å; F19-W30 HydrophobicContact CB-CE3 4.22Å; F19-W30 HydrophobicContact CB-CH2 4.43Å; F19-W30 HydrophobicContact CB-CZ2 4.49Å; F19-W30 HydrophobicContact CB-CZ3 4.28Å; F19-W30 HydrophobicContact CD2-CD2 4.16Å; F19-W30 AromaticContact CD2-CE2 3.57Å; F19-W30 HydrophobicContact CD2-CH2 4.38Å; F19-W30 AromaticContact CD2-CZ2 3.69Å; F19-W30 HydrophobicContact CD2-CZ2 3.69Å; F19-W30 AromaticContact CD2-NE1 3.73Å; F19-W30 HydrophobicContact CE2-CZ2 4.36Å; F19-W30 HydrophobicContact CG-CZ2 4.45Å; W30-K33 PolarHBondContact O-N 3.45Å; W30-A34 WeakPolarHBondContact O-CB 3.2Å; W30-A34 PolarHBondContact O-N 3.26Å; W30-C101 VanDerWaalsContact CH2-SG 3.52Å; W30-K103 HydrophobicContact CH2-CD 4.49Å
31	E	77.4	Confident	74.7	Confident	59 Å²	59	70.3 Å²	70.3	28%	0.276	39%	0.39	S	S	.	.	H	α-helix	trans	-66.4	-53.7	-178.6	-57.3	179.3	162.5	0	0	110.9	G29 K33 A34 V35 K103	G29-E31 VanDerWaalsContact C-N 3.27Å; G29-E31 PolarHBondContact O-N 3.4Å; E31-K33 VanDerWaalsContact C-N 3.27Å; E31-K33 PolarHBondContact O-N 2.56Å; E31-A34 WeakPolarHBondContact O-CB 3.36Å; E31-A34 PolarHBondContact O-N 3.04Å; E31-A34 VanDerWaalsContact O-N 3.09Å; E31-V35 WeakPolarHBondContact O-CG2 3.49Å; E31-V35 PolarHBondContact O-N 3.45Å; E31-K103 VanDerWaalsContact CD-CE 3.47Å; E31-K103 WeakPolarHBondContact OE1-CE 3.28Å; E31-K103 IonicContact OE1-NZ 3.87Å; E31-K103 PolarHBondContact OE1-NZ 3.36Å; E31-K103 IonicContact OE2-NZ 2.7Å; E31-K103 PolarHBondContact OE2-NZ 3.09Å
32	A	80.3	Confident	74.7	Confident	50 Å²	50	67.9 Å²	67.9	41%	0.413	37%	0.37	S	S	.	.	H	α-helix	trans	-57.6	-40.6	173.9	0	0	0	0	0	111.8	A34 V35 E36	A32-A34 PolarHBondContact O-N 3.25Å; A32-V35 PolarHBondContact O-N 2.94Å; A32-E36 VanDerWaalsContact O-CB 3.32Å; A32-E36 WeakPolarHBondContact O-CB 3.35Å; A32-E36 VanDerWaalsContact O-CG 3.3Å; A32-E36 WeakPolarHBondContact O-CG 3.25Å; A32-E36 PolarHBondContact O-N 3.36Å
33	K	82.6	Confident	74.6	Confident	111 Å²	111	72.3 Å²	72.3	48%	0.483	39%	0.387	S	S	.	.	H	α-helix	trans	-64.5	-37.1	176.6	-71.2	173.6	-176.4	175.8	0	112.9	G29 W30 E31 F37	G29-K33 WeakPolarHBondContact O-CG 3.47Å; G29-K33 PolarHBondContact O-N 3.09Å; W30-K33 PolarHBondContact O-N 3.45Å; E31-K33 VanDerWaalsContact C-N 3.27Å; E31-K33 PolarHBondContact O-N 2.56Å; K33-F37 VanDerWaalsContact O-CB 3.31Å; K33-F37 WeakPolarHBondContact O-CB 3.38Å; K33-F37 PolarHBondContact O-N 3.02Å
34	A	82.1	Confident	74.7	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.008	39%	0.391	C	S	.	.	H	α-helix	trans	-68	-46.2	176.9	0	0	0	0	0	110.9	M18 W30 E31 A32 F37 F38	M18-A34 VanDerWaalsContact SD-CA 3.58Å; M18-A34 HydrophobicContact SD-CB 3.77Å; W30-A34 WeakPolarHBondContact O-CB 3.2Å; W30-A34 PolarHBondContact O-N 3.26Å; E31-A34 WeakPolarHBondContact O-CB 3.36Å; E31-A34 PolarHBondContact O-N 3.04Å; E31-A34 VanDerWaalsContact O-N 3.09Å; A32-A34 PolarHBondContact O-N 3.25Å; A34-F37 WeakPolarHBondContact O-CB 3.28Å; A34-F37 PolarHBondContact O-N 2.82Å; A34-F38 WeakPolarHBondContact O-CD2 3.4Å; A34-F38 PolarHBondContact O-N 3.07Å; A34-F38 VanDerWaalsContact O-N 3.09Å
35	V	83.7	Confident	74.9	Confident	35 Å²	35	74.2 Å²	74.2	21%	0.212	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-44.8	176.2	176.2	0	0	0	0	110.9	E31 A32 F37 F38 K39	E31-V35 WeakPolarHBondContact O-CG2 3.49Å; E31-V35 PolarHBondContact O-N 3.45Å; A32-V35 PolarHBondContact O-N 2.94Å; V35-F37 VanDerWaalsContact C-N 3.33Å; V35-F37 PolarHBondContact O-N 2.82Å; V35-F38 PolarHBondContact O-N 2.88Å; V35-K39 VanDerWaalsContact O-CB 3.25Å; V35-K39 WeakPolarHBondContact O-CB 3.49Å; V35-K39 PolarHBondContact O-N 2.89Å
36	E	85.6	Confident	75.4	Confident	123 Å²	123	78.3 Å²	78.3	58%	0.575	40%	0.395	S	S	*	.	H	α-helix	trans	-60.6	-41.1	175	-78	-176.3	168.9	0	0	112	A32 K39 E40	A32-E36 VanDerWaalsContact O-CB 3.32Å; A32-E36 WeakPolarHBondContact O-CB 3.35Å; A32-E36 VanDerWaalsContact O-CG 3.3Å; A32-E36 WeakPolarHBondContact O-CG 3.25Å; A32-E36 PolarHBondContact O-N 3.36Å; E36-K39 PolarHBondContact O-N 3.25Å; E36-E40 WeakPolarHBondContact O-CG 3.4Å; E36-E40 PolarHBondContact O-N 3.1Å
37	F	86.1	Confident	76.4	Confident	65 Å²	65	68.3 Å²	68.3	29%	0.285	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-52	175.8	172.8	-94.4	0	0	0	111.8	W7 V14 M18 K33 A34 V35 K39 E40 Q41	W7-F37 HydrophobicContact CB-CE1 4.33Å; V14-F37 HydrophobicContact CG1-CD1 4.1Å; V14-F37 HydrophobicContact CG1-CE1 3.91Å; M18-F37 HydrophobicContact CE-CB 3.79Å; M18-F37 HydrophobicContact CE-CD1 4.05Å; M18-F37 HydrophobicContact CE-CD2 4.09Å; M18-F37 HydrophobicContact CE-CG 3.7Å; K33-F37 VanDerWaalsContact O-CB 3.31Å; K33-F37 WeakPolarHBondContact O-CB 3.38Å; K33-F37 PolarHBondContact O-N 3.02Å; A34-F37 WeakPolarHBondContact O-CB 3.28Å; A34-F37 PolarHBondContact O-N 2.82Å; V35-F37 VanDerWaalsContact C-N 3.33Å; V35-F37 PolarHBondContact O-N 2.82Å; F37-K39 VanDerWaalsContact C-N 3.31Å; F37-K39 PolarHBondContact O-N 2.88Å; F37-E40 PolarHBondContact O-N 2.96Å; F37-Q41 HydrophobicContact CE1-CG 4.13Å; F37-Q41 HydrophobicContact CE2-CG 4.22Å; F37-Q41 HydrophobicContact CZ-CG 3.98Å; F37-Q41 VanDerWaalsContact O-CG 3.3Å; F37-Q41 WeakPolarHBondContact O-CG 3.44Å; F37-Q41 PolarHBondContact O-N 3.48Å
38	F	85.3	Confident	77.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-37.5	177.9	-72.6	-70.2	0	0	0	111.7	W7 P11 V14 V15 A34 V35 Q41 L42 L301	W7-F38 HydrophobicContact CB-CE1 4.35Å; W7-F38 HydrophobicContact CE3-CD1 4.31Å; W7-F38 HydrophobicContact CE3-CE1 4.41Å; P11-F38 HydrophobicContact CB-CE1 4.03Å; P11-F38 HydrophobicContact CB-CZ 3.88Å; V14-F38 HydrophobicContact CB-CZ 4.25Å; V14-F38 HydrophobicContact CG1-CZ 4.28Å; V15-F38 HydrophobicContact CG2-CE2 4.03Å; V15-F38 HydrophobicContact CG2-CZ 4.49Å; A34-F38 WeakPolarHBondContact O-CD2 3.4Å; A34-F38 PolarHBondContact O-N 3.07Å; A34-F38 VanDerWaalsContact O-N 3.09Å; V35-F38 PolarHBondContact O-N 2.88Å; F38-Q41 PolarHBondContact O-N 2.89Å; F38-L42 VanDerWaalsContact O-CB 3.24Å; F38-L42 WeakPolarHBondContact O-CB 3.32Å; F38-L42 WeakPolarHBondContact O-CD1 3.49Å; F38-L42 WeakPolarHBondContact O-CG 3.27Å; F38-L42 PolarHBondContact O-N 3.04Å; F38-L301 HydrophobicContact CD1-CD1 4.22Å; F38-L301 HydrophobicContact CD2-CD1 4.03Å; F38-L301 HydrophobicContact CD2-CD2 4.02Å; F38-L301 HydrophobicContact CD2-CG 4.48Å; F38-L301 HydrophobicContact CE1-CD1 4.23Å; F38-L301 HydrophobicContact CE2-CD1 4.06Å; F38-L301 HydrophobicContact CE2-CD2 4.09Å; F38-L301 HydrophobicContact CG-CD1 4.13Å; F38-L301 HydrophobicContact CZ-CD1 4.16Å
39	K	83.9	Confident	78.5	Confident	96 Å²	96	62.9 Å²	62.9	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-43.4	177.1	-174	174.5	-179	179	0	112.3	V35 E36 F37 L42 K43	V35-K39 VanDerWaalsContact O-CB 3.25Å; V35-K39 WeakPolarHBondContact O-CB 3.49Å; V35-K39 PolarHBondContact O-N 2.89Å; E36-K39 PolarHBondContact O-N 3.25Å; F37-K39 VanDerWaalsContact C-N 3.31Å; F37-K39 PolarHBondContact O-N 2.88Å; K39-L42 PolarHBondContact O-N 3.39Å; K39-K43 WeakPolarHBondContact O-CG 3.37Å; K39-K43 PolarHBondContact O-N 3.27Å; K39-K43 VanDerWaalsContact O-N 3.11Å
40	E	84.8	Confident	79.1	Confident	103 Å²	103	65.9 Å²	65.9	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-41.8	176.3	-68.6	-53.7	136.8	0	0	111.8	E36 F37 L42 K43	E36-E40 WeakPolarHBondContact O-CG 3.4Å; E36-E40 PolarHBondContact O-N 3.1Å; F37-E40 PolarHBondContact O-N 2.96Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 2.94Å; E40-K43 PolarHBondContact O-N 3.36Å; E40-K43 WeakPolarHBondContact OE1-CE 3.42Å; E40-K43 IonicContact OE1-NZ 3.59Å; E40-K43 PolarHBondContact OE1-NZ 3.04Å; E40-K43 WeakPolarHBondContact OE2-CD 3.28Å; E40-K43 IonicContact OE2-NZ 2.62Å; E40-K43 PolarHBondContact OE2-NZ 2.82Å
41	Q	82.6	Confident	79.4	Confident	61 Å²	61	64.9 Å²	64.9	29%	0.285	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-40	175.8	-66	-63.2	-32.4	0	0	111.8	W7 F37 F38 K43 E44 A47	W7-Q41 HydrophobicContact CH2-CB 4.3Å; W7-Q41 HydrophobicContact CZ2-CB 4.29Å; W7-Q41 HydrophobicContact CZ3-CB 4.48Å; F37-Q41 HydrophobicContact CE1-CG 4.13Å; F37-Q41 HydrophobicContact CE2-CG 4.22Å; F37-Q41 HydrophobicContact CZ-CG 3.98Å; F37-Q41 VanDerWaalsContact O-CG 3.3Å; F37-Q41 WeakPolarHBondContact O-CG 3.44Å; F37-Q41 PolarHBondContact O-N 3.48Å; F38-Q41 PolarHBondContact O-N 2.89Å; Q41-K43 VanDerWaalsContact C-N 3.3Å; Q41-K43 PolarHBondContact O-N 3.27Å; Q41-E44 PolarHBondContact O-N 2.76Å; Q41-A47 VanDerWaalsContact O-CB 3.23Å; Q41-A47 WeakPolarHBondContact O-CB 3.09Å
42	L	81.1	Confident	79.9	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-78.1	-8.1	179.9	-69.3	169.9	0	0	0	113.8	W7 F38 K39 E40 E44 Q48 V51 L67 F253 H302	W7-L42 HydrophobicContact CH2-CD2 4.34Å; W7-L42 HydrophobicContact CZ3-CD2 4.17Å; F38-L42 VanDerWaalsContact O-CB 3.24Å; F38-L42 WeakPolarHBondContact O-CB 3.32Å; F38-L42 WeakPolarHBondContact O-CD1 3.49Å; F38-L42 WeakPolarHBondContact O-CG 3.27Å; F38-L42 PolarHBondContact O-N 3.04Å; K39-L42 PolarHBondContact O-N 3.39Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 2.94Å; L42-E44 PolarHBondContact O-N 3.28Å; L42-Q48 WeakPolarHBondContact O-CG 3.29Å; L42-Q48 PolarHBondContact O-NE2 3.43Å; L42-V51 HydrophobicContact CD2-CG2 4.17Å; L42-L67 HydrophobicContact CD2-CD2 4.48Å; L42-F253 HydrophobicContact CD1-CB 3.75Å; L42-F253 HydrophobicContact CD1-CD1 4.09Å; L42-F253 HydrophobicContact CD1-CD2 4.17Å; L42-F253 HydrophobicContact CD1-CG 3.75Å; L42-F253 HydrophobicContact CD2-CD1 3.74Å; L42-F253 HydrophobicContact CD2-CE1 3.88Å; L42-F253 HydrophobicContact CD2-CG 4.27Å; L42-H302 HydrophobicContact CD1-CB 4.04Å
43	K	76.4	Confident	80.3	Confident	116 Å²	116	60.6 Å²	60.6	50%	0.504	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.5	171.2	-81.6	174.7	-173.1	173.9	0	112.3	K39 E40 Q41 K45	K39-K43 WeakPolarHBondContact O-CG 3.37Å; K39-K43 PolarHBondContact O-N 3.27Å; K39-K43 VanDerWaalsContact O-N 3.11Å; E40-K43 PolarHBondContact O-N 3.36Å; E40-K43 WeakPolarHBondContact OE1-CE 3.42Å; E40-K43 IonicContact OE1-NZ 3.59Å; E40-K43 PolarHBondContact OE1-NZ 3.04Å; E40-K43 WeakPolarHBondContact OE2-CD 3.28Å; E40-K43 IonicContact OE2-NZ 2.62Å; E40-K43 PolarHBondContact OE2-NZ 2.82Å; Q41-K43 VanDerWaalsContact C-N 3.3Å; Q41-K43 PolarHBondContact O-N 3.27Å; K43-K45 PolarHBondContact O-N 3.08Å
44	E	73.4	Confident	80.6	Confident	121 Å²	121	55.6 Å²	55.6	57%	0.565	26%	0.263	S	S	*	.	S	Bend	trans	-73	120.2	177.5	-64.7	-172.7	173.1	0	0	110	Q41 L42 E46 A47 Q48	Q41-E44 PolarHBondContact O-N 2.76Å; L42-E44 PolarHBondContact O-N 3.28Å; E44-E46 PolarHBondContact O-N 3.07Å; E44-A47 HydrophobicContact CB-CB 4.01Å; E44-A47 WeakPolarHBondContact O-CB 3.06Å; E44-A47 PolarHBondContact O-N 2.61Å; E44-Q48 PolarHBondContact O-N 2.94Å; E44-Q48 VanDerWaalsContact O-N 3.14Å
45	K	67.3	Low	80.8	Confident	125 Å²	125	57.3 Å²	57.3	54%	0.543	27%	0.272	S	S	.	.	H	α-helix	trans	-57.8	-34	-178.3	-73.4	-175.2	178.6	175.7	0	112.9	K43 T49	K43-K45 PolarHBondContact O-N 3.08Å; K45-T49 PolarHBondContact O-N 2.85Å; K45-T49 PolarHBondContact O-OG1 2.81Å
46	E	68.1	Low	80.9	Confident	141 Å²	141	58.2 Å²	58.2	66%	0.659	28%	0.276	S	S	*	.	H	α-helix	trans	-65.3	-42.2	176.6	-61.9	-174.5	177.3	0	0	110.6	E44 T49 L50	E44-E46 PolarHBondContact O-N 3.07Å; E46-T49 PolarHBondContact O-N 3.49Å; E46-L50 WeakPolarHBondContact O-CG 3.49Å; E46-L50 PolarHBondContact O-N 3.31Å; E46-L50 VanDerWaalsContact O-N 3.17Å
47	A	70.4	Confident	80.9	Confident	6 Å²	6	53.8 Å²	53.8	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-41.6	177.9	0	0	0	0	0	112.5	W7 Q41 E44 T49 L50 V51	W7-A47 HydrophobicContact CH2-CB 4.05Å; W7-A47 HydrophobicContact CZ2-CB 4.16Å; Q41-A47 VanDerWaalsContact O-CB 3.23Å; Q41-A47 WeakPolarHBondContact O-CB 3.09Å; E44-A47 HydrophobicContact CB-CB 4.01Å; E44-A47 WeakPolarHBondContact O-CB 3.06Å; E44-A47 PolarHBondContact O-N 2.61Å; A47-T49 PolarHBondContact O-N 3.12Å; A47-L50 PolarHBondContact O-N 2.89Å; A47-V51 WeakPolarHBondContact O-CG2 3.43Å; A47-V51 PolarHBondContact O-N 3.31Å
48	Q	75.1	Confident	80.8	Confident	32 Å²	32	53.8 Å²	53.8	15%	0.15	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-33.1	176.1	-63.8	-168.3	3.9	0	0	113	L42 E44 F253	L42-Q48 WeakPolarHBondContact O-CG 3.29Å; L42-Q48 PolarHBondContact O-NE2 3.43Å; E44-Q48 PolarHBondContact O-N 2.94Å; E44-Q48 VanDerWaalsContact O-N 3.14Å; Q48-F253 HydrophobicContact CB-CE1 4.48Å; Q48-F253 HydrophobicContact CB-CZ 4.34Å; Q48-F253 HydrophobicContact CG-CE1 4.46Å; Q48-F253 HydrophobicContact CG-CZ 4.05Å
49	T	75.8	Confident	80.7	Confident	25 Å²	25	55.6 Å²	55.6	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-77.2	-29.6	-177.7	-53.1	0	0	0	0	111.8	K45 E46 A47 V51 T147 Q151	K45-T49 PolarHBondContact O-N 2.85Å; K45-T49 PolarHBondContact O-OG1 2.81Å; E46-T49 PolarHBondContact O-N 3.49Å; A47-T49 PolarHBondContact O-N 3.12Å; T49-V51 VanDerWaalsContact C-N 3.32Å; T49-T147 HydrophobicContact CG2-CG2 4.5Å; T49-T147 WeakPolarHBondContact CG2-O 3.38Å; T49-Q151 HydrophobicContact CG2-CB 4.18Å
50	L	81.6	Confident	80.6	Confident	92 Å²	92	57.6 Å²	57.6	48%	0.482	28%	0.284	S	S	.	.	H	α-helix	trans	-70.9	-26.1	175.4	-70.5	168.7	0	0	0	113.1	I8 E46 A47	I8-L50 HydrophobicContact CD1-CB 4.1Å; E46-L50 WeakPolarHBondContact O-CG 3.49Å; E46-L50 PolarHBondContact O-N 3.31Å; E46-L50 VanDerWaalsContact O-N 3.17Å; A47-L50 PolarHBondContact O-N 2.89Å
51	V	84.6	Confident	80.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-71.4	125.2	179.7	179.3	0	0	0	0	110.2	W7 L42 A47 T49 L67 R69 F253	W7-V51 HydrophobicContact CZ3-CG2 4.48Å; L42-V51 HydrophobicContact CD2-CG2 4.17Å; A47-V51 WeakPolarHBondContact O-CG2 3.43Å; A47-V51 PolarHBondContact O-N 3.31Å; T49-V51 VanDerWaalsContact C-N 3.32Å; V51-L67 HydrophobicContact CG1-CD2 4.44Å; V51-L67 HydrophobicContact CG1-CG 4.15Å; V51-L67 HydrophobicContact CG2-CD2 3.91Å; V51-L67 HydrophobicContact CG2-CG 4.49Å; V51-R69 HydrophobicContact CG1-CB 3.92Å; V51-R69 HydrophobicContact CG1-CG 4.26Å; V51-R69 VanDerWaalsContact O-CD 3.31Å; V51-R69 WeakPolarHBondContact O-CD 3.47Å; V51-R69 PolarHBondContact O-NE 3.46Å; V51-F253 HydrophobicContact CG1-CD1 4.35Å
52	P	86.9	Confident	80.6	Confident	20 Å²	20	57.1 Å²	57.1	13%	0.13	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66	140.1	-178.4	27.5	-35.6	0	0	0	111.9	L62 V68 R69	P52-L62 HydrophobicContact CB-CD2 3.7Å; P52-L62 HydrophobicContact CG-CD2 4.1Å; P52-V68 HydrophobicContact CG-CG1 4.19Å; P52-V68 WeakPolarHBondContact O-CA 3.28Å; P52-R69 PolarHBondContact O-N 2.89Å
53	S	88.7	Confident	80.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-93.9	123.8	-176.3	-179.3	0	0	0	0	111.7	N55 D56 V57 R69	S53-N55 PolarHBondContact O-N 2.96Å; S53-N55 PolarHBondContact OG-N 3.44Å; S53-D56 WeakPolarHBondContact CB-OD2 3.41Å; S53-D56 PolarHBondContact O-N 3.08Å; S53-D56 PolarHBondContact OG-OD2 3.08Å; S53-V57 WeakPolarHBondContact O-CB 3.33Å; S53-V57 PolarHBondContact O-N 3.34Å; S53-R69 CarbonylContact C-O 3.5Å; S53-R69 WeakPolarHBondContact CA-O 3.35Å
54	L	88.4	Confident	81.3	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.031	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28	173.6	-174.1	64.2	0	0	0	111.6	D56 L59 L62 R69 F70 P231 C233 P296 L298	L54-D56 VanDerWaalsContact C-N 3.32Å; L54-D56 PolarHBondContact O-N 3.4Å; L54-L59 HydrophobicContact CD1-CD1 4.15Å; L54-L62 HydrophobicContact CD1-CD1 3.63Å; L54-R69 PolarHBondContact N-O 3.24Å; L54-F70 HydrophobicContact CB-CB 4.14Å; L54-F70 HydrophobicContact CB-CD2 3.98Å; L54-F70 HydrophobicContact CB-CG 4.32Å; L54-F70 HydrophobicContact CD2-CB 4.31Å; L54-F70 HydrophobicContact CD2-CD1 4.37Å; L54-F70 HydrophobicContact CD2-CD2 3.93Å; L54-F70 HydrophobicContact CD2-CE2 4.34Å; L54-F70 HydrophobicContact CD2-CG 3.96Å; L54-F70 HydrophobicContact CG-CD2 4.25Å; L54-P231 HydrophobicContact CD1-CB 4.49Å; L54-P231 HydrophobicContact CD2-CB 4.23Å; L54-P231 HydrophobicContact CD2-CG 4.49Å; L54-P231 HydrophobicContact CG-CB 3.96Å; L54-P231 HydrophobicContact CG-CG 4.02Å; L54-P231 WeakPolarHBondContact O-CG 3.47Å; L54-C233 HydrophobicContact CD2-CB 4.13Å; L54-P296 HydrophobicContact CD1-CG 4.39Å; L54-P296 HydrophobicContact CD2-CG 4.15Å; L54-L298 HydrophobicContact CD2-CD1 4.09Å
55	N	87.9	Confident	81.9	Confident	36 Å²	36	57 Å²	57	19%	0.193	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.4	178.3	-61	89.7	0	0	0	113	S53 F70 R71	S53-N55 PolarHBondContact O-N 2.96Å; S53-N55 PolarHBondContact OG-N 3.44Å; N55-F70 WeakPolarHBondContact OD1-CD2 3.3Å; N55-R71 PolarHBondContact ND2-O 3.5Å; N55-R71 PolarHBondContact OD1-N 2.89Å; N55-R71 PolarHBondContact OD1-O 2.98Å
56	D	85.5	Confident	83	Confident	55 Å²	55	51.1 Å²	51.1	29%	0.294	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-32	-168.5	-51.9	-55	0	0	0	112.2	S53 L54 R69 A145	S53-D56 WeakPolarHBondContact CB-OD2 3.41Å; S53-D56 PolarHBondContact O-N 3.08Å; S53-D56 PolarHBondContact OG-OD2 3.08Å; L54-D56 VanDerWaalsContact C-N 3.32Å; L54-D56 PolarHBondContact O-N 3.4Å; D56-R69 IonicContact OD2-NH2 3.8Å; D56-A145 HydrophobicContact CB-CB 4.48Å
57	V	85.1	Confident	84.1	Confident	29 Å²	29	44.4 Å²	44.4	18%	0.176	23%	0.227	C	C	.	.	S	Bend	trans	-100.7	122.1	-177.3	-175.5	0	0	0	0	109.6	S53 L62	S53-V57 WeakPolarHBondContact O-CB 3.33Å; S53-V57 PolarHBondContact O-N 3.34Å; V57-L62 HydrophobicContact CB-CD2 3.93Å; V57-L62 HydrophobicContact CB-CG 4.35Å; V57-L62 HydrophobicContact CG1-CD2 3.68Å; V57-L62 HydrophobicContact CG1-CG 3.98Å
58	P	84.3	Confident	85.1	Confident	65 Å²	65	44.1 Å²	44.1	42%	0.422	22%	0.224	S	C	.	.			trans	-56.1	141.4	173.5	-25.1	32.7	0	0	0	112.2	H60 Y61	P58-H60 WeakPolarHBondContact CB-CE1 3.4Å; P58-H60 PolarHBondContact O-N 2.95Å; P58-Y61 HydrophobicContact CB-CD2 4Å; P58-Y61 HydrophobicContact CG-CD2 4.01Å; P58-Y61 HydrophobicContact CG-CE2 4.3Å; P58-Y61 PolarHBondContact O-N 3.25Å
59	L	82.4	Confident	85.9	Confident	39 Å²	39	43.4 Å²	43.4	20%	0.204	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-51.4	-35.4	-174.1	-174.4	64.6	0	0	0	114.2	L54 Y61 L62 L256 V258 A292 P296	L54-L59 HydrophobicContact CD1-CD1 4.15Å; L59-Y61 PolarHBondContact O-N 3.02Å; L59-L62 PolarHBondContact O-N 3.47Å; L59-L62 VanDerWaalsContact O-N 3.16Å; L59-L256 HydrophobicContact CD1-CD1 4.02Å; L59-L256 HydrophobicContact CD1-CD2 4.07Å; L59-V258 HydrophobicContact CD1-CG2 3.89Å; L59-V258 HydrophobicContact CG-CG2 4.45Å; L59-A292 WeakPolarHBondContact CD2-O 3.3Å; L59-P296 HydrophobicContact CD1-CB 3.88Å; L59-P296 HydrophobicContact CD1-CG 4.1Å; L59-P296 HydrophobicContact CD2-CB 4.3Å; L59-P296 HydrophobicContact CD2-CG 4.4Å
60	H	81.5	Confident	86.7	Confident	137 Å²	137	42.3 Å²	42.3	63%	0.634	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-72.2	-13.2	-177.8	60.3	-92.6	0	0	0	114.7	P58	P58-H60 WeakPolarHBondContact CB-CE1 3.4Å; P58-H60 PolarHBondContact O-N 2.95Å
61	Y	83.3	Confident	87.2	Confident	140 Å²	140	38.3 Å²	38.3	55%	0.549	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-93.2	-11.8	172.3	-70.1	-61.7	0	0	0	112.9	P58 L59	P58-Y61 HydrophobicContact CB-CD2 4Å; P58-Y61 HydrophobicContact CG-CD2 4.01Å; P58-Y61 HydrophobicContact CG-CE2 4.3Å; P58-Y61 PolarHBondContact O-N 3.25Å; L59-Y61 PolarHBondContact O-N 3.02Å
62	L	85.4	Confident	87.6	Confident	15 Å²	15	38.3 Å²	38.3	8%	0.079	19%	0.192	C	C	.	.	S	Bend	trans	-84	135.4	177.9	-61.7	174.8	0	0	0	109.7	P52 L54 V57 L59 V68 L256	P52-L62 HydrophobicContact CB-CD2 3.7Å; P52-L62 HydrophobicContact CG-CD2 4.1Å; L54-L62 HydrophobicContact CD1-CD1 3.63Å; V57-L62 HydrophobicContact CB-CD2 3.93Å; V57-L62 HydrophobicContact CB-CG 4.35Å; V57-L62 HydrophobicContact CG1-CD2 3.68Å; V57-L62 HydrophobicContact CG1-CG 3.98Å; L59-L62 PolarHBondContact O-N 3.47Å; L59-L62 VanDerWaalsContact O-N 3.16Å; L62-V68 HydrophobicContact CD1-CG1 4.35Å; L62-V68 HydrophobicContact CD2-CG1 4.37Å; L62-L256 HydrophobicContact CB-CD2 3.52Å; L62-L256 HydrophobicContact CD1-CD2 4.03Å; L62-L256 HydrophobicContact CG-CD2 4.41Å
63	K	84.6	Confident	88	Confident	113 Å²	113	37.4 Å²	37.4	49%	0.491	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-72.6	132.7	176.6	-171	-169.3	170.3	-162.6	0	108.7	N9 S66	N9-K63 HydrophobicContact CB-CD 4.5Å; N9-K63 PolarHBondContact O-NZ 2.93Å; K63-S66 PolarHBondContact O-N 2.99Å; K63-S66 PolarHBondContact O-OG 3.16Å
64	P	86.5	Confident	88.3	Confident	50 Å²	50	37.4 Å²	37.4	33%	0.325	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	147.9	168.8	-23.1	33.9	0	0	0	111	S66	P64-S66 PolarHBondContact O-N 2.86Å; P64-S66 VanDerWaalsContact O-N 3.1Å
65	D	87.1	Confident	88.5	Confident	70 Å²	70	37.1 Å²	37.1	37%	0.374	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	11.8	178.9	-56.1	-41.1	0	0	0	115	P11 L12 L256	P11-D65 VanDerWaalsContact CD-O 3.24Å; P11-D65 WeakPolarHBondContact CD-O 3.07Å; P11-D65 WeakPolarHBondContact CG-O 3.25Å; L12-D65 HydrophobicContact CD1-CB 3.65Å; D65-L256 WeakPolarHBondContact CA-O 3.42Å; D65-L256 PolarHBondContact N-O 2.83Å
66	S	90	Very high	88.7	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.021	18%	0.177	C	C	.	.			trans	-87.1	160.5	172	73.2	0	0	0	0	112.2	I8 K63 P64 L256	I8-S66 WeakPolarHBondContact O-CB 3.45Å; K63-S66 PolarHBondContact O-N 2.99Å; K63-S66 PolarHBondContact O-OG 3.16Å; P64-S66 PolarHBondContact O-N 2.86Å; P64-S66 VanDerWaalsContact O-N 3.1Å; S66-L256 PolarHBondContact O-N 2.99Å
67	L	91.1	Very high	88.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129	170.6	-171.5	69	0	0	0	110	W7 I8 P11 L42 V51 L301	W7-L67 HydrophobicContact CE3-CD2 3.77Å; W7-L67 HydrophobicContact CZ3-CD2 3.44Å; W7-L67 VanDerWaalsContact CZ3-CD2 3.44Å; I8-L67 WeakPolarHBondContact O-CB 3.18Å; I8-L67 PolarHBondContact O-N 2.88Å; P11-L67 HydrophobicContact CG-CB 4.31Å; L42-L67 HydrophobicContact CD2-CD2 4.48Å; V51-L67 HydrophobicContact CG1-CD2 4.44Å; V51-L67 HydrophobicContact CG1-CG 4.15Å; V51-L67 HydrophobicContact CG2-CD2 3.91Å; V51-L67 HydrophobicContact CG2-CG 4.49Å; L67-L301 HydrophobicContact CD1-CD1 3.65Å
68	V	91.4	Very high	89.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.9	174.7	-51.4	0	0	0	0	110.2	P52 L62 F253 G254 L256 L298	P52-V68 HydrophobicContact CG-CG1 4.19Å; P52-V68 WeakPolarHBondContact O-CA 3.28Å; L62-V68 HydrophobicContact CD1-CG1 4.35Å; L62-V68 HydrophobicContact CD2-CG1 4.37Å; V68-F253 WeakPolarHBondContact O-CA 3.37Å; V68-G254 PolarHBondContact N-O 3.28Å; V68-G254 PolarHBondContact O-N 2.78Å; V68-L256 HydrophobicContact CG1-CB 3.91Å; V68-L256 HydrophobicContact CG1-CD2 4.14Å; V68-L256 HydrophobicContact CG2-CB 4.02Å; V68-L298 HydrophobicContact CG2-CD1 4.29Å; V68-L298 HydrophobicContact CG2-CD2 3.15Å; V68-L298 HydrophobicContact CG2-CG 4.35Å
69	R	91.9	Very high	89.1	Confident	17 Å²	17	37.6 Å²	37.6	6%	0.064	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.9	173.6	70.8	-174	-170.9	84.8	7.6	110.1	V51 P52 S53 L54 D56 T148 V252 F253	V51-R69 HydrophobicContact CG1-CB 3.92Å; V51-R69 HydrophobicContact CG1-CG 4.26Å; V51-R69 VanDerWaalsContact O-CD 3.31Å; V51-R69 WeakPolarHBondContact O-CD 3.47Å; V51-R69 PolarHBondContact O-NE 3.46Å; P52-R69 PolarHBondContact O-N 2.89Å; S53-R69 CarbonylContact C-O 3.5Å; S53-R69 WeakPolarHBondContact CA-O 3.35Å; L54-R69 PolarHBondContact N-O 3.24Å; D56-R69 IonicContact OD2-NH2 3.8Å; R69-T148 PolarHBondContact NH2-OG1 2.81Å; R69-V252 CarbonylContact C-O 3.56Å; R69-V252 VanDerWaalsContact CA-O 3.24Å; R69-V252 WeakPolarHBondContact CA-O 3.18Å; R69-F253 HydrophobicContact CB-CD1 3.74Å; R69-F253 HydrophobicContact CB-CE1 3.71Å
70	F	92.6	Very high	89.3	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	123.7	179	179.6	-137.2	0	0	0	110	L54 N55 C72 C130 P231 C233 V252 L298	L54-F70 HydrophobicContact CB-CB 4.14Å; L54-F70 HydrophobicContact CB-CD2 3.98Å; L54-F70 HydrophobicContact CB-CG 4.32Å; L54-F70 HydrophobicContact CD2-CB 4.31Å; L54-F70 HydrophobicContact CD2-CD1 4.37Å; L54-F70 HydrophobicContact CD2-CD2 3.93Å; L54-F70 HydrophobicContact CD2-CE2 4.34Å; L54-F70 HydrophobicContact CD2-CG 3.96Å; L54-F70 HydrophobicContact CG-CD2 4.25Å; N55-F70 WeakPolarHBondContact OD1-CD2 3.3Å; F70-C72 HydrophobicContact CD1-CB 3.69Å; F70-C72 HydrophobicContact CD2-CB 4.43Å; F70-C72 HydrophobicContact CE1-CB 3.25Å; F70-C72 HydrophobicContact CE2-CB 4.04Å; F70-C72 HydrophobicContact CG-CB 4.28Å; F70-C72 HydrophobicContact CZ-CB 3.45Å; F70-C72 VanDerWaalsContact CZ-CB 3.45Å; F70-C130 HydrophobicContact CE1-CB 3.77Å; F70-P231 HydrophobicContact CE2-CG 3.85Å; F70-P231 WeakPolarHBondContact CZ-O 3.39Å; F70-C233 HydrophobicContact CD1-CB 3.97Å; F70-C233 HydrophobicContact CE1-CB 3.51Å; F70-C233 HydrophobicContact CZ-CB 4.12Å; F70-V252 HydrophobicContact CB-CB 4.46Å; F70-V252 PolarHBondContact N-O 3.09Å; F70-V252 WeakPolarHBondContact O-CB 3.46Å; F70-V252 PolarHBondContact O-N 3.49Å; F70-L298 HydrophobicContact CB-CD1 3.72Å; F70-L298 HydrophobicContact CD1-CD1 4.04Å; F70-L298 HydrophobicContact CG-CD1 4.2Å
71	R	92.5	Very high	89.5	Confident	9 Å²	9	34.6 Å²	34.6	3%	0.034	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.7	174.4	175.3	-179.5	59	141.2	3.6	109.2	N55 I133 E136 Y144 L250 L306 N309	N55-R71 PolarHBondContact ND2-O 3.5Å; N55-R71 PolarHBondContact OD1-N 2.89Å; N55-R71 PolarHBondContact OD1-O 2.98Å; R71-I133 HydrophobicContact CG-CD1 3.53Å; R71-I133 HydrophobicContact CG-CG1 4.22Å; R71-E136 IonicContact CZ-OE1 3.26Å; R71-E136 IonicContact CZ-OE2 3.5Å; R71-E136 VanDerWaalsContact NH1-CD 3.34Å; R71-E136 IonicContact NH1-OE1 3.41Å; R71-E136 PolarHBondContact NH1-OE1 2.83Å; R71-E136 IonicContact NH1-OE2 3.74Å; R71-E136 IonicContact NH2-OE1 3.67Å; R71-E136 PolarHBondContact NH2-OE1 2.89Å; R71-E136 IonicContact NH2-OE2 3.04Å; R71-E136 PolarHBondContact NH2-OE2 2.91Å; R71-Y144 VanDerWaalsContact CZ-CD2 3.41Å; R71-L250 WeakPolarHBondContact CA-O 3.49Å; R71-L306 HydrophobicContact CG-CD1 3.67Å; R71-N309 PolarHBondContact NH1-OD1 3.29Å
72	C	93.6	Very high	89.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	165.9	-166.6	63.4	0	0	0	0	113.7	F70 C130 V131 T249 L250	F70-C72 HydrophobicContact CD1-CB 3.69Å; F70-C72 HydrophobicContact CD2-CB 4.43Å; F70-C72 HydrophobicContact CE1-CB 3.25Å; F70-C72 HydrophobicContact CE2-CB 4.04Å; F70-C72 HydrophobicContact CG-CB 4.28Å; F70-C72 HydrophobicContact CZ-CB 3.45Å; F70-C72 VanDerWaalsContact CZ-CB 3.45Å; C72-C130 HydrophobicContact CB-CB 3.9Å; C72-V131 CarbonylContact C-O 3.48Å; C72-V131 WeakPolarHBondContact CA-O 3.48Å; C72-V131 WeakPolarHBondContact CB-O 3.43Å; C72-T249 CarbonylContact O-C 3.56Å; C72-T249 VanDerWaalsContact O-CA 3.32Å; C72-T249 WeakPolarHBondContact O-CA 3.32Å; C72-L250 PolarHBondContact N-O 3.14Å; C72-L250 PolarHBondContact O-N 2.85Å
73	L	94.8	Very high	89.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.1	164.7	-175.7	78.3	0	0	0	108.5	Q75 C130 V131 P134 N247 D248 T249 Q437 A439	L73-Q75 PolarHBondContact O-N 3.25Å; L73-C130 WeakPolarHBondContact O-CA 3.42Å; L73-V131 HydrophobicContact CB-CG2 4.12Å; L73-V131 PolarHBondContact N-O 3.23Å; L73-V131 PolarHBondContact O-N 3.4Å; L73-P134 HydrophobicContact CD2-CG 3.65Å; L73-N247 VanDerWaalsContact CD1-O 3.23Å; L73-N247 WeakPolarHBondContact CD1-O 3.39Å; L73-D248 WeakPolarHBondContact CA-O 3.47Å; L73-T249 HydrophobicContact CD1-CG2 3.73Å; L73-Q437 HydrophobicContact CD2-CG 4.39Å; L73-A439 HydrophobicContact CD1-CB 4.23Å
74	V	94.3	Very high	89.3	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	108	170.2	-178.2	0	0	0	0	108.6	F128 L246 N247 D248 L250	V74-F128 HydrophobicContact CG1-CB 4.5Å; V74-F128 HydrophobicContact CG1-CD1 3.66Å; V74-F128 HydrophobicContact CG1-CE1 4.39Å; V74-L246 HydrophobicContact CG1-CD2 4.43Å; V74-N247 PolarHBondContact O-N 3.36Å; V74-D248 PolarHBondContact N-O 3.35Å; V74-L250 HydrophobicContact CG2-CD1 3.54Å; V74-L250 HydrophobicContact CG2-CG 4.13Å
75	Q	92.5	Very high	89	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-42.1	-176.8	162.7	167.4	71.2	0	0	112.5	L73 Y129 V131 N222 L246 Q437	L73-Q75 PolarHBondContact O-N 3.25Å; Q75-Y129 HydrophobicContact CB-CD1 4.27Å; Q75-Y129 HydrophobicContact CG-CD1 4.21Å; Q75-Y129 PolarHBondContact N-O 3.01Å; Q75-V131 HydrophobicContact CB-CG1 4.22Å; Q75-V131 HydrophobicContact CB-CG2 3.92Å; Q75-N222 PolarHBondContact NE2-O 2.79Å; Q75-N222 PolarHBondContact OE1-O 2.93Å; Q75-N222 VanDerWaalsContact OE1-O 3.12Å; Q75-L246 WeakPolarHBondContact O-CD2 3.49Å; Q75-Q437 VanDerWaalsContact NE2-OE1 3.12Å; Q75-Q437 PolarHBondContact O-NE2 3.19Å
76	D	91.9	Very high	88.8	Confident	9 Å²	9	27.8 Å²	27.8	5%	0.048	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.7	-178.9	-158.6	4.7	0	0	0	111	F78 Y129 L431	D76-F78 HydrophobicContact CB-CE1 4.24Å; D76-F78 VanDerWaalsContact OD2-CE1 3.28Å; D76-F78 WeakPolarHBondContact OD2-CE1 3.44Å; D76-Y129 PolarHBondContact N-O 2.69Å; D76-Y129 PolarHBondContact O-N 2.62Å; D76-L431 HydrophobicContact CB-CB 4.19Å; D76-L431 VanDerWaalsContact CG-CB 3.42Å; D76-L431 WeakPolarHBondContact OD1-CB 3.42Å; D76-L431 WeakPolarHBondContact OD2-CB 3.3Å; D76-L431 PolarHBondContact OD2-N 3.35Å
77	M	91.1	Very high	88.3	Confident	69 Å²	69	27.8 Å²	27.8	34%	0.34	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.1	174.8	-68.6	177.5	69.2	0	0	107.6	F128 L246	M77-F128 HydrophobicContact CE-CE1 3.64Å; M77-F128 HydrophobicContact CE-CZ 4.13Å; M77-F128 HydrophobicContact CG-CD1 3.63Å; M77-F128 HydrophobicContact CG-CE1 3.61Å; M77-F128 HydrophobicContact SD-CE1 3.98Å; M77-L246 HydrophobicContact CB-CD2 4.46Å; M77-L246 HydrophobicContact CG-CD2 3.82Å; M77-L246 HydrophobicContact CG-CG 4.17Å; M77-L246 HydrophobicContact SD-CD2 4.31Å; M77-L246 HydrophobicContact SD-CG 4Å
78	F	88.5	Confident	87.8	Confident	11 Å²	11	29 Å²	29	5%	0.048	15%	0.146	C	C	.	.			trans	-83.6	176.2	178.1	-65.9	-26	0	0	0	111.7	D76 Q126 T127 Y129 L234 V287 H288	D76-F78 HydrophobicContact CB-CE1 4.24Å; D76-F78 VanDerWaalsContact OD2-CE1 3.28Å; D76-F78 WeakPolarHBondContact OD2-CE1 3.44Å; F78-Q126 PolarHBondContact O-NE2 2.98Å; F78-T127 HydrophobicContact CD2-CG2 3.9Å; F78-T127 PolarHBondContact N-O 2.77Å; F78-Y129 HydrophobicContact CZ-CD2 4.35Å; F78-Y129 HydrophobicContact CZ-CG 4.48Å; F78-L234 HydrophobicContact CD2-CD2 4.14Å; F78-L234 HydrophobicContact CE2-CD2 3.6Å; F78-V287 HydrophobicContact CZ-CG1 4.12Å; F78-H288 AromaticContact CD1-CE1 3.54Å; F78-H288 AromaticContact CD1-ND1 3.89Å; F78-H288 AromaticContact CD2-CE1 3.82Å; F78-H288 AromaticContact CD2-ND1 3.29Å; F78-H288 VanDerWaalsContact CD2-ND1 3.29Å; F78-H288 WeakPolarHBondContact CD2-ND1 3.42Å; F78-H288 AromaticContact CE1-CE1 3.98Å; F78-H288 AromaticContact CE2-ND1 3.65Å; F78-H288 AromaticContact CG-CE1 3.46Å; F78-H288 VanDerWaalsContact CG-CE1 3.46Å; F78-H288 WeakPolarHBondContact CG-CE1 3.27Å; F78-H288 AromaticContact CG-ND1 3.42Å; F78-H288 WeakPolarHBondContact CG-ND1 3.15Å
79	D	84.8	Confident	87.2	Confident	105 Å²	105	29.4 Å²	29.4	56%	0.561	15%	0.149	S	C	*	.	P	Polyproline II helix	trans	-70.3	149.8	174	-63.8	-52.3	0	0	0	110.2	E81 N429	D79-E81 PolarHBondContact O-N 3.46Å; D79-N429 PolarHBondContact OD2-ND2 3.24Å
80	P	86.5	Confident	86.6	Confident	64 Å²	64	30.3 Å²	30.3	42%	0.416	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-58.4	137.2	176.8	-23.5	32.6	0	0	0	112.4	R125	P80-R125 CarbonylContact C-O 3.58Å; P80-R125 WeakPolarHBondContact CA-O 3.44Å
81	E	85.2	Confident	85.8	Confident	49 Å²	49	33.1 Å²	33.1	23%	0.229	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.8	175	-68.5	174.8	-156.9	0	0	110.4	D79 E124 R125 T127 K236	D79-E81 PolarHBondContact O-N 3.46Å; E81-E124 CarbonylContact O-C 3.44Å; E81-E124 WeakPolarHBondContact O-CA 3.45Å; E81-R125 HydrophobicContact CB-CG 3.98Å; E81-R125 PolarHBondContact N-O 2.91Å; E81-R125 PolarHBondContact O-N 3.43Å; E81-R125 IonicContact OE2-CZ 3.7Å; E81-R125 IonicContact OE2-NE 2.74Å; E81-R125 PolarHBondContact OE2-NE 2.92Å; E81-R125 IonicContact OE2-NH2 3.44Å; E81-R125 PolarHBondContact OE2-NH2 3.16Å; E81-T127 VanDerWaalsContact CD-OG1 3.23Å; E81-T127 PolarHBondContact OE1-OG1 3.22Å; E81-K236 IonicContact OE1-NZ 3.95Å; E81-K236 IonicContact OE2-NZ 3.32Å; E81-K236 PolarHBondContact OE2-NZ 3.36Å
82	F	83.3	Confident	84.6	Confident	146 Å²	146	37.7 Å²	37.7	64%	0.64	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	138	167.4	-65	-75.7	0	0	0	110.7	A123 E124	F82-A123 WeakPolarHBondContact CA-O 3.37Å; F82-E124 HydrophobicContact CD1-CB 4.22Å; F82-E124 HydrophobicContact CE1-CB 4.17Å
83	F	83.3	Confident	83.6	Confident	21 Å²	21	41.9 Å²	41.9	9%	0.092	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	163.9	176.8	76.3	-76	0	0	0	111.3	G85 K103 T122 A123 R125 Y238	F83-G85 PolarHBondContact O-N 3.39Å; F83-K103 HydrophobicContact CE2-CG 3.92Å; F83-K103 HydrophobicContact CZ-CG 4.02Å; F83-T122 CarbonylContact O-C 3.54Å; F83-T122 WeakPolarHBondContact O-CA 3.38Å; F83-A123 HydrophobicContact CD1-CB 4.26Å; F83-A123 VanDerWaalsContact CD1-O 3.31Å; F83-A123 WeakPolarHBondContact CD1-O 3.4Å; F83-A123 HydrophobicContact CE1-CB 3.57Å; F83-A123 HydrophobicContact CE2-CB 4.43Å; F83-A123 HydrophobicContact CZ-CB 3.65Å; F83-A123 PolarHBondContact N-O 3Å; F83-A123 PolarHBondContact O-N 2.93Å; F83-R125 HydrophobicContact CD1-CB 4.11Å; F83-R125 HydrophobicContact CD1-CG 3.9Å; F83-R125 HydrophobicContact CE1-CB 3.96Å; F83-R125 HydrophobicContact CE1-CG 4.27Å; F83-Y238 HydrophobicContact CD1-CE1 4.34Å; F83-Y238 HydrophobicContact CD2-CE1 4.36Å; F83-Y238 AromaticContact CE1-CD1 3.71Å; F83-Y238 HydrophobicContact CE1-CD1 3.71Å; F83-Y238 AromaticContact CE1-CE1 3.7Å; F83-Y238 HydrophobicContact CE1-CE1 3.7Å; F83-Y238 HydrophobicContact CE2-CD1 4.2Å; F83-Y238 AromaticContact CE2-CE1 3.71Å; F83-Y238 HydrophobicContact CE2-CE1 3.71Å; F83-Y238 AromaticContact CZ-CD1 3.43Å; F83-Y238 HydrophobicContact CZ-CD1 3.43Å; F83-Y238 VanDerWaalsContact CZ-CD1 3.43Å; F83-Y238 AromaticContact CZ-CE1 3.36Å; F83-Y238 HydrophobicContact CZ-CE1 3.36Å
84	M	82.4	Confident	82.6	Confident	42 Å²	42	46.2 Å²	46.2	21%	0.207	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	99.7	175.7	-56.1	177.6	83	0	0	109.1	Y87 G102 V113 T120 V121	M84-Y87 HydrophobicContact CB-CD1 4.41Å; M84-G102 VanDerWaalsContact O-CA 3.31Å; M84-G102 WeakPolarHBondContact O-CA 3.2Å; M84-V113 HydrophobicContact CE-CG1 3.61Å; M84-V113 HydrophobicContact SD-CG1 4.06Å; M84-T120 HydrophobicContact CE-CG2 3.28Å; M84-V121 CarbonylContact C-O 3.55Å
85	G	80.1	Confident	81.6	Confident	8 Å²	8	54.4 Å²	54.4	8%	0.082	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-45.2	180	0	0	0	0	0	112.9	F83 G102 V121	F83-G85 PolarHBondContact O-N 3.39Å; G85-G102 PolarHBondContact O-N 2.82Å; G85-V121 WeakPolarHBondContact CA-O 3.33Å; G85-V121 PolarHBondContact N-O 3.5Å
86	V	82.5	Confident	80.7	Confident	29 Å²	29	56.7 Å²	56.7	18%	0.176	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.2	170.2	179	0	0	0	0	107.5	F19 L99 R100 T120 V121	F19-V86 HydrophobicContact CE2-CG2 3.95Å; F19-V86 HydrophobicContact CZ-CG1 3.94Å; F19-V86 HydrophobicContact CZ-CG2 3.95Å; V86-L99 HydrophobicContact CG1-CD2 4.22Å; V86-R100 WeakPolarHBondContact CA-O 3.34Å; V86-T120 CarbonylContact O-C 3.56Å; V86-T120 VanDerWaalsContact O-CA 3.27Å; V86-T120 WeakPolarHBondContact O-CA 3.26Å; V86-V121 HydrophobicContact CB-CB 4.47Å; V86-V121 PolarHBondContact N-O 3.33Å; V86-V121 PolarHBondContact O-N 2.95Å
87	Y	80.4	Confident	79.9	Confident	3 Å²	3	63.8 Å²	63.8	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.6	178.2	64.1	-81.5	0	0	0	111.1	M84 T89 R100 T108 E109 V113	M84-Y87 HydrophobicContact CB-CD1 4.41Å; Y87-T89 HydrophobicContact CD2-CG2 3.59Å; Y87-T89 HydrophobicContact CE2-CG2 3.31Å; Y87-R100 HydrophobicContact CD1-CB 4.31Å; Y87-R100 HydrophobicContact CD2-CB 4.28Å; Y87-R100 HydrophobicContact CE1-CB 3.87Å; Y87-R100 HydrophobicContact CE2-CB 3.89Å; Y87-R100 HydrophobicContact CE2-CG 4.38Å; Y87-R100 HydrophobicContact CG-CB 4.49Å; Y87-R100 PolarHBondContact N-O 3.16Å; Y87-R100 PolarHBondContact O-N 3.15Å; Y87-T108 HydrophobicContact CE1-CG2 4.43Å; Y87-T108 HydrophobicContact CE2-CG2 4.04Å; Y87-E109 PolarHBondContact OH-N 3.12Å; Y87-V113 HydrophobicContact CD2-CG1 4.17Å; Y87-V113 HydrophobicContact CD2-CG2 4.14Å; Y87-V113 HydrophobicContact CE2-CG2 4.33Å
88	E	80.3	Confident	79.3	Confident	24 Å²	24	63.4 Å²	63.4	11%	0.112	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.9	176.7	-166.3	169.9	-154.7	0	0	109.5	R97 T98 L99 D114 S117 S119	E88-R97 HydrophobicContact CG-CB 4.08Å; E88-R97 WeakPolarHBondContact OE1-CB 3.19Å; E88-R97 VanDerWaalsContact OE1-CD 3.27Å; E88-R97 WeakPolarHBondContact OE1-CD 3.31Å; E88-T98 WeakPolarHBondContact CA-O 3.43Å; E88-L99 HydrophobicContact CB-CD2 4.11Å; E88-L99 HydrophobicContact CG-CD2 4.35Å; E88-D114 PolarHBondContact O-N 3.32Å; E88-S117 VanDerWaalsContact OE2-CB 3.28Å; E88-S117 WeakPolarHBondContact OE2-CB 3.39Å; E88-S117 PolarHBondContact OE2-OG 3.2Å; E88-S119 PolarHBondContact OE2-OG 3.05Å
89	T	79.1	Confident	78.9	Confident	10 Å²	10	66 Å²	66	6%	0.061	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.9	171.9	57.5	0	0	0	0	110.4	Y87 R97 T98 R100	Y87-T89 HydrophobicContact CD2-CG2 3.59Å; Y87-T89 HydrophobicContact CE2-CG2 3.31Å; T89-R97 WeakPolarHBondContact O-CA 3.42Å; T89-T98 PolarHBondContact N-O 3.37Å; T89-T98 PolarHBondContact O-N 2.85Å; T89-T98 PolarHBondContact OG1-O 3.4Å; T89-R100 HydrophobicContact CG2-CG 4.14Å
90	V	78	Confident	78.7	Confident	35 Å²	35	64.9 Å²	64.9	21%	0.212	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.9	170.4	-171.7	0	0	0	0	107.6	P92 R97 Q112 D114	V90-P92 WeakPolarHBondContact O-CD 3.46Å; V90-R97 HydrophobicContact CG2-CG 4.33Å; V90-Q112 PolarHBondContact N-O 3.18Å; V90-Q112 PolarHBondContact O-N 2.81Å; V90-D114 HydrophobicContact CG2-CB 4.32Å
91	D	76.3	Confident	78.4	Confident	61 Å²	61	62 Å²	62	33%	0.326	33%	0.329	S	S	.	.			trans	-68.3	121.4	172.1	174.9	-0.6	0	0	0	108.9	A93 T94 K95 A96	D91-A93 PolarHBondContact O-N 3.45Å; D91-A93 PolarHBondContact OD1-N 3.21Å; D91-T94 VanDerWaalsContact CB-OG1 3.29Å; D91-T94 WeakPolarHBondContact CB-OG1 3.2Å; D91-T94 PolarHBondContact O-N 3.31Å; D91-T94 WeakPolarHBondContact OD2-CB 3.42Å; D91-T94 WeakPolarHBondContact OD2-CG2 3.49Å; D91-T94 PolarHBondContact OD2-OG1 3.1Å; D91-K95 VanDerWaalsContact O-CA 3.24Å; D91-K95 WeakPolarHBondContact O-CA 3.3Å; D91-K95 PolarHBondContact O-N 3.45Å; D91-A96 PolarHBondContact N-O 3.25Å; D91-A96 VanDerWaalsContact N-O 3.15Å
92	P	67.7	Low	78.2	Confident	104 Å²	104	60.1 Å²	60.1	68%	0.675	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.9	-179.2	24.5	-34	0	0	0	113.3	V90	V90-P92 WeakPolarHBondContact O-CD 3.46Å
93	A	73.3	Confident	78.2	Confident	89 Å²	89	54.1 Å²	54.1	74%	0.736	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-43.2	-178.7	0	0	0	0	0	112.7	D91	D91-A93 PolarHBondContact O-N 3.45Å; D91-A93 PolarHBondContact OD1-N 3.21Å
94	T	73.7	Confident	78.3	Confident	91 Å²	91	53.4 Å²	53.4	56%	0.558	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-12.4	-173.1	62.9	0	0	0	0	114	D91 A96	D91-T94 VanDerWaalsContact CB-OG1 3.29Å; D91-T94 WeakPolarHBondContact CB-OG1 3.2Å; D91-T94 PolarHBondContact O-N 3.31Å; D91-T94 WeakPolarHBondContact OD2-CB 3.42Å; D91-T94 WeakPolarHBondContact OD2-CG2 3.49Å; D91-T94 PolarHBondContact OD2-OG1 3.1Å; T94-A96 PolarHBondContact O-N 2.87Å; T94-A96 WeakPolarHBondContact OG1-CB 3.45Å; T94-A96 PolarHBondContact OG1-N 2.8Å
95	K	72.1	Confident	78.2	Confident	173 Å²	173	52.8 Å²	52.8	75%	0.752	29%	0.289	S	S	*	.			trans	52.8	15.3	-168.4	-61.2	-175.8	178.7	-179.1	0	113.7	D91	D91-K95 VanDerWaalsContact O-CA 3.24Å; D91-K95 WeakPolarHBondContact O-CA 3.3Å; D91-K95 PolarHBondContact O-N 3.45Å
96	A	73.5	Confident	78	Confident	47 Å²	47	53.9 Å²	53.9	39%	0.388	29%	0.293	S	S	.	.			trans	-69.4	134.7	175.5	0	0	0	0	0	108.7	D91 T94	D91-A96 PolarHBondContact N-O 3.25Å; D91-A96 VanDerWaalsContact N-O 3.15Å; T94-A96 PolarHBondContact O-N 2.87Å; T94-A96 WeakPolarHBondContact OG1-CB 3.45Å; T94-A96 PolarHBondContact OG1-N 2.8Å
97	R	76.2	Confident	77.4	Confident	159 Å²	159	55 Å²	55	60%	0.6	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.1	176.6	-58.7	-173.7	174.6	-158.1	-9	109.4	E88 T89 V90	E88-R97 HydrophobicContact CG-CB 4.08Å; E88-R97 WeakPolarHBondContact OE1-CB 3.19Å; E88-R97 VanDerWaalsContact OE1-CD 3.27Å; E88-R97 WeakPolarHBondContact OE1-CD 3.31Å; T89-R97 WeakPolarHBondContact O-CA 3.42Å; V90-R97 HydrophobicContact CG2-CG 4.33Å
98	T	78.1	Confident	76.7	Confident	61 Å²	61	58.1 Å²	58.1	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.9	-177.3	-19	0	0	0	0	109.6	E88 T89	E88-T98 WeakPolarHBondContact CA-O 3.43Å; T89-T98 PolarHBondContact N-O 3.37Å; T89-T98 PolarHBondContact O-N 2.85Å; T89-T98 PolarHBondContact OG1-O 3.4Å
99	L	80.2	Confident	75.8	Confident	65 Å²	65	60 Å²	60	34%	0.34	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.4	172.8	-71	172	0	0	0	109.7	V86 E88	V86-L99 HydrophobicContact CG1-CD2 4.22Å; E88-L99 HydrophobicContact CB-CD2 4.11Å; E88-L99 HydrophobicContact CG-CD2 4.35Å
100	R	79.9	Confident	74.6	Confident	81 Å²	81	66 Å²	66	31%	0.306	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.5	-179.6	-64.9	-70.2	-179	161.7	-8.7	110.3	V86 Y87 T89 E109	V86-R100 WeakPolarHBondContact CA-O 3.34Å; Y87-R100 HydrophobicContact CD1-CB 4.31Å; Y87-R100 HydrophobicContact CD2-CB 4.28Å; Y87-R100 HydrophobicContact CE1-CB 3.87Å; Y87-R100 HydrophobicContact CE2-CB 3.89Å; Y87-R100 HydrophobicContact CE2-CG 4.38Å; Y87-R100 HydrophobicContact CG-CB 4.49Å; Y87-R100 PolarHBondContact N-O 3.16Å; Y87-R100 PolarHBondContact O-N 3.15Å; T89-R100 HydrophobicContact CG2-CG 4.14Å; R100-E109 IonicContact CZ-OE2 3.66Å; R100-E109 IonicContact NE-OE2 3.06Å; R100-E109 IonicContact NH1-OE2 2.96Å; R100-E109 PolarHBondContact NH1-OE2 2.64Å
101	C	81.6	Confident	73.6	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.034	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.2	172.7	-176.8	0	0	0	0	109.1	F19 W30 K103	F19-C101 HydrophobicContact CD1-CB 3.9Å; F19-C101 HydrophobicContact CD2-CB 4.45Å; F19-C101 HydrophobicContact CE1-CB 4.15Å; F19-C101 HydrophobicContact CG-CB 4.04Å; W30-C101 VanDerWaalsContact CH2-SG 3.52Å; C101-K103 PolarHBondContact SG-N 3.5Å
102	G	80.3	Confident	72.9	Confident	9 Å²	9	69.9 Å²	69.9	9%	0.093	39%	0.392	C	S	.	.			trans	-98.7	1.1	174.2	0	0	0	0	0	114.1	M84 G85	M84-G102 VanDerWaalsContact O-CA 3.31Å; M84-G102 WeakPolarHBondContact O-CA 3.2Å; G85-G102 PolarHBondContact O-N 2.82Å
103	K	84	Confident	72.9	Confident	19 Å²	19	66.6 Å²	66.6	8%	0.083	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	146.5	171.9	-66.8	-161.1	178.3	-165.8	0	110.6	W30 E31 F83 C101 K105 Y238 E239	W30-K103 HydrophobicContact CH2-CD 4.49Å; E31-K103 VanDerWaalsContact CD-CE 3.47Å; E31-K103 WeakPolarHBondContact OE1-CE 3.28Å; E31-K103 IonicContact OE1-NZ 3.87Å; E31-K103 PolarHBondContact OE1-NZ 3.36Å; E31-K103 IonicContact OE2-NZ 2.7Å; E31-K103 PolarHBondContact OE2-NZ 3.09Å; F83-K103 HydrophobicContact CE2-CG 3.92Å; F83-K103 HydrophobicContact CZ-CG 4.02Å; C101-K103 PolarHBondContact SG-N 3.5Å; K103-K105 PolarHBondContact O-N 2.93Å; K103-Y238 HydrophobicContact CB-CE1 4.44Å; K103-Y238 HydrophobicContact CG-CD1 4.39Å; K103-Y238 HydrophobicContact CG-CE1 4.5Å; K103-E239 IonicContact NZ-OE1 2.83Å; K103-E239 PolarHBondContact NZ-OE1 3.11Å
104	Y	84.1	Confident	72.7	Confident	7 Å²	7	64.3 Å²	64.3	3%	0.027	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	23.2	179.4	-42.1	-77.7	0	0	0	115.6	V15 Y238 I255 H299 L300 L301	V15-Y104 HydrophobicContact CG1-CD2 3.93Å; V15-Y104 HydrophobicContact CG1-CE2 4.15Å; V15-Y104 HydrophobicContact CG2-CD2 4.22Å; V15-Y104 HydrophobicContact CG2-CE2 4.38Å; Y104-Y238 WeakPolarHBondContact CA-OH 3.46Å; Y104-Y238 AromaticContact CD1-CD2 3.79Å; Y104-Y238 HydrophobicContact CD1-CD2 3.79Å; Y104-Y238 AromaticContact CD1-CE2 3.55Å; Y104-Y238 HydrophobicContact CD1-CE2 3.55Å; Y104-Y238 AromaticContact CE1-CD2 3.59Å; Y104-Y238 HydrophobicContact CE1-CD2 3.59Å; Y104-Y238 AromaticContact CE1-CE2 3.88Å; Y104-Y238 HydrophobicContact CE1-CE2 3.88Å; Y104-Y238 HydrophobicContact CE1-CG 4.43Å; Y104-Y238 HydrophobicContact CG-CE2 4.24Å; Y104-Y238 VanDerWaalsContact N-CZ 3.3Å; Y104-Y238 PolarHBondContact N-OH 3.27Å; Y104-I255 HydrophobicContact CG-CD1 4.35Å; Y104-H299 HydrophobicContact CD1-CB 3.94Å; Y104-H299 HydrophobicContact CG-CB 4.44Å; Y104-H299 PolarHBondContact O-CD2 3.05Å; Y104-L300 VanDerWaalsContact CE1-O 3.3Å; Y104-L300 WeakPolarHBondContact CE1-O 3.5Å; Y104-L301 HydrophobicContact CD1-CD2 3.79Å; Y104-L301 HydrophobicContact CD1-CG 4.48Å; Y104-L301 HydrophobicContact CD2-CD2 4.43Å; Y104-L301 HydrophobicContact CE1-CD2 3.52Å; Y104-L301 HydrophobicContact CE1-CG 4.4Å; Y104-L301 HydrophobicContact CE2-CD2 4.16Å; Y104-L301 HydrophobicContact CG-CD2 4.27Å
105	K	81.7	Confident	72.2	Confident	29 Å²	29	63.8 Å²	63.8	13%	0.126	34%	0.341	C	S	.	.			trans	-133.5	152	175	-67.8	178.9	172.2	177.9	0	110.3	L12 E16 K103 E109 R125 H299	L12-K105 HydrophobicContact CD1-CG 4.16Å; L12-K105 HydrophobicContact CD2-CG 4.09Å; E16-K105 IonicContact OE1-NZ 2.69Å; E16-K105 PolarHBondContact OE1-NZ 2.71Å; K103-K105 PolarHBondContact O-N 2.93Å; K105-E109 IonicContact NZ-OE1 2.61Å; K105-E109 PolarHBondContact NZ-OE1 3.17Å; K105-R125 PolarHBondContact O-NH1 3.46Å; K105-H299 VanDerWaalsContact C-NE2 3.35Å
106	D	74.4	Confident	71.9	Confident	31 Å²	31	62.8 Å²	62.8	17%	0.166	34%	0.344	C	S	.	.	S	Bend	trans	-106	-21.4	172.6	-76.1	-41.2	0	0	0	113	R125 K236 L262 R297 H299	D106-R125 IonicContact OD1-CZ 2.9Å; D106-R125 IonicContact OD1-NH1 2.74Å; D106-R125 PolarHBondContact OD1-NH1 2.99Å; D106-R125 IonicContact OD1-NH2 3.35Å; D106-R125 PolarHBondContact OD1-NH2 3.08Å; D106-R125 VanDerWaalsContact OD1-NH2 3.11Å; D106-K236 WeakPolarHBondContact OD1-CE 3.34Å; D106-K236 IonicContact OD1-NZ 3.19Å; D106-K236 PolarHBondContact OD1-NZ 2.89Å; D106-K236 IonicContact OD2-NZ 3.96Å; D106-L262 HydrophobicContact CB-CD1 3.93Å; D106-L262 HydrophobicContact CB-CD2 3.66Å; D106-L262 HydrophobicContact CB-CG 4.42Å; D106-R297 WeakPolarHBondContact OD2-CB 3.35Å; D106-R297 WeakPolarHBondContact OD2-CD 3.39Å; D106-H299 IonicContact OD1-CE1 2.78Å; D106-H299 PolarHBondContact OD1-CE1 3.26Å; D106-H299 VanDerWaalsContact OD1-CE1 3.26Å; D106-H299 IonicContact OD1-NE2 3.23Å; D106-H299 IonicContact OD2-CE1 3.03Å; D106-H299 IonicContact OD2-NE2 2.71Å
107	V	71.3	Confident	71.7	Confident	51 Å²	51	61.6 Å²	61.6	31%	0.309	33%	0.333	S	S	.	.	S	Bend	trans	-119.8	134.6	-179.3	-172.3	0	0	0	0	109.2	A261 L262	V107-A261 HydrophobicContact CG2-CB 4.43Å; V107-L262 HydrophobicContact CG2-CD2 3.72Å; V107-L262 HydrophobicContact CG2-CG 3.99Å
108	T	65.7	Low	71.3	Confident	69 Å²	69	66.1 Å²	66.1	42%	0.423	35%	0.35	S	S	.	.			trans	-70.5	140.7	173.3	52.5	0	0	0	0	110.5	Y87 V113	Y87-T108 HydrophobicContact CE1-CG2 4.43Å; Y87-T108 HydrophobicContact CE2-CG2 4.04Å; T108-V113 HydrophobicContact CG2-CG2 4.19Å
109	E	61.4	Low	71	Confident	63 Å²	63	65 Å²	65	29%	0.294	35%	0.345	S	S	.	.			trans	-66.4	153.9	179.1	-65.6	-175.1	157.7	0	0	112.2	Y87 R100 K105 G111	Y87-E109 PolarHBondContact OH-N 3.12Å; R100-E109 IonicContact CZ-OE2 3.66Å; R100-E109 IonicContact NE-OE2 3.06Å; R100-E109 IonicContact NH1-OE2 2.96Å; R100-E109 PolarHBondContact NH1-OE2 2.64Å; K105-E109 IonicContact NZ-OE1 2.61Å; K105-E109 PolarHBondContact NZ-OE1 3.17Å; E109-G111 PolarHBondContact O-N 2.84Å
110	S	53.4	Low	70.8	Confident	137 Å²	137	63.3 Å²	63.3	96%	0.958	34%	0.337	S	S	*	.	S	Bend	trans	-49.6	101.6	-178	-45.5	0	0	0	0	112.7
111	G	56.7	Low	70.8	Confident	26 Å²	26	63.4 Å²	63.4	27%	0.268	35%	0.346	S	S	.	.	S	Bend	trans	172.9	154.2	178.1	0	0	0	0	0	110.3	E109 V113	E109-G111 PolarHBondContact O-N 2.84Å; G111-V113 PolarHBondContact O-N 3.26Å
112	Q	61.9	Low	70.9	Confident	152 Å²	152	68.1 Å²	68.1	71%	0.71	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	116.9	175.2	-168.2	171.9	1.7	0	0	108.1	V90 D114	V90-Q112 PolarHBondContact N-O 3.18Å; V90-Q112 PolarHBondContact O-N 2.81Å; Q112-D114 PolarHBondContact O-N 3.19Å
113	V	67.9	Low	71.1	Confident	34 Å²	34	69.1 Å²	69.1	21%	0.206	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.5	179.5	-179.1	0	0	0	0	109.1	M84 Y87 T108 G111 V115	M84-V113 HydrophobicContact CE-CG1 3.61Å; M84-V113 HydrophobicContact SD-CG1 4.06Å; Y87-V113 HydrophobicContact CD2-CG1 4.17Å; Y87-V113 HydrophobicContact CD2-CG2 4.14Å; Y87-V113 HydrophobicContact CE2-CG2 4.33Å; T108-V113 HydrophobicContact CG2-CG2 4.19Å; G111-V113 PolarHBondContact O-N 3.26Å; V113-V115 HydrophobicContact CG1-CG2 4.28Å; V113-V115 PolarHBondContact O-N 2.87Å
114	D	69.4	Low	71.2	Confident	41 Å²	41	72.6 Å²	72.6	22%	0.219	40%	0.399	C	S	.	.			trans	-84.9	85.8	173.5	-168.5	-6.2	0	0	0	109.9	E88 V90 Q112 N116 S117 T120	E88-D114 PolarHBondContact O-N 3.32Å; V90-D114 HydrophobicContact CG2-CB 4.32Å; Q112-D114 PolarHBondContact O-N 3.19Å; D114-N116 PolarHBondContact O-N 3.48Å; D114-N116 PolarHBondContact OD1-N 3.33Å; D114-S117 WeakPolarHBondContact O-CB 3.5Å; D114-S117 PolarHBondContact O-N 3.01Å; D114-T120 PolarHBondContact O-OG1 2.77Å
115	V	62.9	Low	71.5	Confident	80 Å²	80	73.1 Å²	73.1	49%	0.485	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.7	-177.9	-166.7	0	0	0	0	112.1	V113	V113-V115 HydrophobicContact CG1-CG2 4.28Å; V113-V115 PolarHBondContact O-N 2.87Å
116	N	64.2	Low	72	Confident	153 Å²	153	72.4 Å²	72.4	82%	0.818	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	1.8	-178.6	-68.4	-39.6	0	0	0	113.4	D114	D114-N116 PolarHBondContact O-N 3.48Å; D114-N116 PolarHBondContact OD1-N 3.33Å
117	S	70.4	Confident	72.8	Confident	22 Å²	22	71 Å²	71	15%	0.154	39%	0.391	C	S	.	.			trans	-70.5	139.5	179.5	-168.4	0	0	0	0	112	E88 D114 S119 T120	E88-S117 VanDerWaalsContact OE2-CB 3.28Å; E88-S117 WeakPolarHBondContact OE2-CB 3.39Å; E88-S117 PolarHBondContact OE2-OG 3.2Å; D114-S117 WeakPolarHBondContact O-CB 3.5Å; D114-S117 PolarHBondContact O-N 3.01Å; S117-S119 PolarHBondContact O-N 3.48Å; S117-S119 PolarHBondContact OG-OG 3.34Å; S117-T120 WeakPolarHBondContact O-CB 3.31Å; S117-T120 PolarHBondContact O-N 2.89Å
118	R	68.4	Low	73.9	Confident	253 Å²	253	68.8 Å²	68.8	96%	0.955	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.1	176.5	-67.5	-176	178.6	-177.8	-0.9	113.4
119	S	71.1	Confident	75.2	Confident	39 Å²	39	66.3 Å²	66.3	27%	0.273	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.4	178.5	56.9	0	0	0	0	112.9	E88 S117 V121	E88-S119 PolarHBondContact OE2-OG 3.05Å; S117-S119 PolarHBondContact O-N 3.48Å; S117-S119 PolarHBondContact OG-OG 3.34Å; S119-V121 PolarHBondContact O-N 3.1Å
120	T	75.1	Confident	76.7	Confident	28 Å²	28	63.4 Å²	63.4	17%	0.172	35%	0.347	C	S	.	.			trans	-75.2	120.6	174.8	-64.4	0	0	0	0	109.6	M84 V86 D114 S117	M84-T120 HydrophobicContact CE-CG2 3.28Å; V86-T120 CarbonylContact O-C 3.56Å; V86-T120 VanDerWaalsContact O-CA 3.27Å; V86-T120 WeakPolarHBondContact O-CA 3.26Å; D114-T120 PolarHBondContact O-OG1 2.77Å; S117-T120 WeakPolarHBondContact O-CB 3.31Å; S117-T120 PolarHBondContact O-N 2.89Å
121	V	81.3	Confident	78.7	Confident	83 Å²	83	56.9 Å²	56.9	50%	0.503	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.4	-180	-178.9	0	0	0	0	108.6	M84 G85 V86 S119	M84-V121 CarbonylContact C-O 3.55Å; G85-V121 WeakPolarHBondContact CA-O 3.33Å; G85-V121 PolarHBondContact N-O 3.5Å; V86-V121 HydrophobicContact CB-CB 4.47Å; V86-V121 PolarHBondContact N-O 3.33Å; V86-V121 PolarHBondContact O-N 2.95Å; S119-V121 PolarHBondContact O-N 3.1Å
122	T	82.5	Confident	80.3	Confident	104 Å²	104	56.3 Å²	56.3	64%	0.638	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	140.7	170.6	51.7	0	0	0	0	110.2	F83	F83-T122 CarbonylContact O-C 3.54Å; F83-T122 WeakPolarHBondContact O-CA 3.38Å
123	A	84.7	Confident	81.8	Confident	30 Å²	30	49.2 Å²	49.2	25%	0.248	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	166	176.2	0	0	0	0	0	109.7	F82 F83	F82-A123 WeakPolarHBondContact CA-O 3.37Å; F83-A123 HydrophobicContact CD1-CB 4.26Å; F83-A123 VanDerWaalsContact CD1-O 3.31Å; F83-A123 WeakPolarHBondContact CD1-O 3.4Å; F83-A123 HydrophobicContact CE1-CB 3.57Å; F83-A123 HydrophobicContact CE2-CB 4.43Å; F83-A123 HydrophobicContact CZ-CB 3.65Å; F83-A123 PolarHBondContact N-O 3Å; F83-A123 PolarHBondContact O-N 2.93Å
124	E	87.6	Confident	82.8	Confident	93 Å²	93	47.6 Å²	47.6	44%	0.435	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.6	177.3	65.6	-173.9	-178.8	0	0	110.8	E81 F82 W241	E81-E124 CarbonylContact O-C 3.44Å; E81-E124 WeakPolarHBondContact O-CA 3.45Å; F82-E124 HydrophobicContact CD1-CB 4.22Å; F82-E124 HydrophobicContact CE1-CB 4.17Å; E124-W241 HydrophobicContact CG-CH2 3.92Å; E124-W241 WeakPolarHBondContact OE1-CH2 3.37Å
125	R	89	Confident	83.7	Confident	18 Å²	18	46.2 Å²	46.2	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.1	172.2	66.1	-173.7	-179.1	-170.5	-4.2	110.1	P80 E81 F83 K105 D106 V237 Y238 H299	P80-R125 CarbonylContact C-O 3.58Å; P80-R125 WeakPolarHBondContact CA-O 3.44Å; E81-R125 HydrophobicContact CB-CG 3.98Å; E81-R125 PolarHBondContact N-O 2.91Å; E81-R125 PolarHBondContact O-N 3.43Å; E81-R125 IonicContact OE2-CZ 3.7Å; E81-R125 IonicContact OE2-NE 2.74Å; E81-R125 PolarHBondContact OE2-NE 2.92Å; E81-R125 IonicContact OE2-NH2 3.44Å; E81-R125 PolarHBondContact OE2-NH2 3.16Å; F83-R125 HydrophobicContact CD1-CB 4.11Å; F83-R125 HydrophobicContact CD1-CG 3.9Å; F83-R125 HydrophobicContact CE1-CB 3.96Å; F83-R125 HydrophobicContact CE1-CG 4.27Å; K105-R125 PolarHBondContact O-NH1 3.46Å; D106-R125 IonicContact OD1-CZ 2.9Å; D106-R125 IonicContact OD1-NH1 2.74Å; D106-R125 PolarHBondContact OD1-NH1 2.99Å; D106-R125 IonicContact OD1-NH2 3.35Å; D106-R125 PolarHBondContact OD1-NH2 3.08Å; D106-R125 VanDerWaalsContact OD1-NH2 3.11Å; R125-V237 CarbonylContact C-O 3.46Å; R125-V237 WeakPolarHBondContact CA-O 3.23Å; R125-V237 WeakPolarHBondContact CB-O 3.41Å; R125-Y238 HydrophobicContact CB-CD1 3.95Å; R125-Y238 HydrophobicContact CB-CE1 4.11Å; R125-Y238 PolarHBondContact NH1-OH 2.67Å; R125-Y238 VanDerWaalsContact NH1-OH 3.13Å; R125-H299 PolarHBondContact NH1-CE1 3.26Å
126	Q	92.8	Very high	85	Confident	14 Å²	14	43.1 Å²	43.1	7%	0.065	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.2	178.5	-178.8	59.9	59.4	0	0	110.5	F78 F128 K236 V237 W241	F78-Q126 PolarHBondContact O-NE2 2.98Å; Q126-F128 HydrophobicContact CB-CE2 4Å; Q126-F128 HydrophobicContact CG-CD2 4.02Å; Q126-F128 HydrophobicContact CG-CE1 4.42Å; Q126-F128 HydrophobicContact CG-CE2 3.35Å; Q126-F128 HydrophobicContact CG-CZ 3.59Å; Q126-K236 WeakPolarHBondContact O-CA 3.48Å; Q126-V237 PolarHBondContact N-O 2.74Å; Q126-V237 PolarHBondContact O-N 3.22Å; Q126-W241 HydrophobicContact CB-CB 3.68Å; Q126-W241 HydrophobicContact CB-CD2 4.03Å; Q126-W241 HydrophobicContact CB-CE3 4.49Å; Q126-W241 HydrophobicContact CB-CG 3.65Å; Q126-W241 HydrophobicContact CG-CB 3.98Å; Q126-W241 HydrophobicContact CG-CG 4.08Å
127	T	91.9	Very high	86.3	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.1	175.5	-63.9	0	0	0	0	110.9	F78 E81 L234	F78-T127 HydrophobicContact CD2-CG2 3.9Å; F78-T127 PolarHBondContact N-O 2.77Å; E81-T127 VanDerWaalsContact CD-OG1 3.23Å; E81-T127 PolarHBondContact OE1-OG1 3.22Å; T127-L234 HydrophobicContact CG2-CB 4.29Å; T127-L234 HydrophobicContact CG2-CD2 3.91Å
128	F	93.3	Very high	87.2	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.3	176.6	-64.8	-93.8	0	0	0	110.1	V74 M77 Q126 L234 V235 V237 W241 F244	V74-F128 HydrophobicContact CG1-CB 4.5Å; V74-F128 HydrophobicContact CG1-CD1 3.66Å; V74-F128 HydrophobicContact CG1-CE1 4.39Å; M77-F128 HydrophobicContact CE-CE1 3.64Å; M77-F128 HydrophobicContact CE-CZ 4.13Å; M77-F128 HydrophobicContact CG-CD1 3.63Å; M77-F128 HydrophobicContact CG-CE1 3.61Å; M77-F128 HydrophobicContact SD-CE1 3.98Å; Q126-F128 HydrophobicContact CB-CE2 4Å; Q126-F128 HydrophobicContact CG-CD2 4.02Å; Q126-F128 HydrophobicContact CG-CE1 4.42Å; Q126-F128 HydrophobicContact CG-CE2 3.35Å; Q126-F128 HydrophobicContact CG-CZ 3.59Å; F128-L234 CarbonylContact O-C 3.58Å; F128-L234 WeakPolarHBondContact O-CA 3.25Å; F128-V235 HydrophobicContact CB-CB 4.49Å; F128-V235 PolarHBondContact N-O 2.88Å; F128-V235 PolarHBondContact O-N 3.26Å; F128-V237 HydrophobicContact CD2-CB 4.38Å; F128-V237 HydrophobicContact CD2-CG2 3.63Å; F128-V237 HydrophobicContact CE2-CB 3.95Å; F128-V237 HydrophobicContact CE2-CG2 3.53Å; F128-W241 HydrophobicContact CE2-CB 4.12Å; F128-W241 HydrophobicContact CZ-CB 4.17Å; F128-F244 HydrophobicContact CE1-CB 4.07Å; F128-F244 HydrophobicContact CZ-CB 4.04Å; F128-F244 HydrophobicContact CZ-CD2 4.42Å
129	Y	93.2	Very high	88.2	Confident	18 Å²	18	31 Å²	31	7%	0.071	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.9	169.5	-168.7	-98.2	0	0	0	109.3	Q75 D76 F78 V131 L221 S232 L234 V295	Q75-Y129 HydrophobicContact CB-CD1 4.27Å; Q75-Y129 HydrophobicContact CG-CD1 4.21Å; Q75-Y129 PolarHBondContact N-O 3.01Å; D76-Y129 PolarHBondContact N-O 2.69Å; D76-Y129 PolarHBondContact O-N 2.62Å; F78-Y129 HydrophobicContact CZ-CD2 4.35Å; F78-Y129 HydrophobicContact CZ-CG 4.48Å; Y129-V131 HydrophobicContact CD1-CG1 4.1Å; Y129-V131 HydrophobicContact CE1-CG1 3.66Å; Y129-L221 PolarHBondContact OH-O 3.49Å; Y129-S232 VanDerWaalsContact OH-CB 3.3Å; Y129-S232 WeakPolarHBondContact OH-CB 3.27Å; Y129-L234 HydrophobicContact CD2-CD2 3.74Å; Y129-V295 HydrophobicContact CE2-CG1 4.14Å
130	C	93.9	Very high	89	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.9	-174.5	-69.1	0	0	0	0	110.8	F70 C72 L73 C233 V235	F70-C130 HydrophobicContact CE1-CB 3.77Å; C72-C130 HydrophobicContact CB-CB 3.9Å; L73-C130 WeakPolarHBondContact O-CA 3.42Å; C130-C233 PolarHBondContact N-O 2.93Å; C130-C233 PolarHBondContact O-N 3.32Å; C130-V235 HydrophobicContact CB-CG2 4.04Å
131	V	93.5	Very high	89.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	159.3	179.4	-67	0	0	0	0	110.2	C72 L73 Q75 Y129 F223 P224	C72-V131 CarbonylContact C-O 3.48Å; C72-V131 WeakPolarHBondContact CA-O 3.48Å; C72-V131 WeakPolarHBondContact CB-O 3.43Å; L73-V131 HydrophobicContact CB-CG2 4.12Å; L73-V131 PolarHBondContact N-O 3.23Å; L73-V131 PolarHBondContact O-N 3.4Å; Q75-V131 HydrophobicContact CB-CG1 4.22Å; Q75-V131 HydrophobicContact CB-CG2 3.92Å; Y129-V131 HydrophobicContact CD1-CG1 4.1Å; Y129-V131 HydrophobicContact CE1-CG1 3.66Å; V131-F223 HydrophobicContact CB-CD1 4.26Å; V131-F223 HydrophobicContact CB-CE1 4.49Å; V131-F223 HydrophobicContact CG1-CD1 4.05Å; V131-F223 HydrophobicContact CG1-CE1 4.27Å; V131-P224 HydrophobicContact CG2-CG 4.41Å
132	P	91.8	Very high	89.8	Confident	13 Å²	13	33.1 Å²	33.1	8%	0.084	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-54.2	151.4	167.7	27.8	-38.2	0	0	0	110.1	P134 F223 P231	P132-P134 WeakPolarHBondContact O-CD 3.49Å; P132-P134 VanDerWaalsContact O-N 3.09Å; P132-F223 HydrophobicContact CG-CD1 4.49Å; P132-F223 HydrophobicContact CG-CE1 4.2Å; P132-P231 WeakPolarHBondContact CD-O 3.39Å
133	I	92.3	Very high	89.9	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-56.4	118.7	178.2	-65.8	178.4	0	0	0	109.1	R71 E136 T249 L306 N309 A439	R71-I133 HydrophobicContact CG-CD1 3.53Å; R71-I133 HydrophobicContact CG-CG1 4.22Å; I133-E136 WeakPolarHBondContact O-CB 3.47Å; I133-T249 HydrophobicContact CD1-CG2 4.19Å; I133-T249 HydrophobicContact CG1-CG2 4.19Å; I133-L306 HydrophobicContact CD1-CD1 4.49Å; I133-N309 VanDerWaalsContact CD1-OD1 3.32Å; I133-N309 WeakPolarHBondContact CD1-OD1 3.47Å; I133-A439 HydrophobicContact CG2-CB 3.78Å
134	P	90.4	Very high	89.9	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	144.4	-175.1	-24.9	35.6	0	0	0	112.6	L73 P132 E136 P224 L225 E228 L438	L73-P134 HydrophobicContact CD2-CG 3.65Å; P132-P134 WeakPolarHBondContact O-CD 3.49Å; P132-P134 VanDerWaalsContact O-N 3.09Å; P134-E136 PolarHBondContact O-N 2.7Å; P134-P224 HydrophobicContact CB-CB 4.3Å; P134-P224 HydrophobicContact CB-CG 4.41Å; P134-P224 HydrophobicContact CG-CB 4.15Å; P134-P224 HydrophobicContact CG-CG 3.75Å; P134-L225 HydrophobicContact CB-CD1 4.22Å; P134-L225 HydrophobicContact CB-CG 4.27Å; P134-E228 WeakPolarHBondContact CA-OE1 3.5Å; P134-E228 WeakPolarHBondContact CB-OE1 3.43Å; P134-L438 HydrophobicContact CB-CD2 4.04Å
135	G	87.7	Confident	89.6	Confident	11 Å²	11	25.1 Å²	25.1	11%	0.113	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	18.4	176.8	0	0	0	0	0	113.9	N137 E228 S404 S405	G135-N137 PolarHBondContact O-N 2.95Å; G135-N137 PolarHBondContact O-OD1 2.69Å; G135-E228 PolarHBondContact N-OE1 3.38Å; G135-S404 CarbonylContact O-C 3.5Å; G135-S404 WeakPolarHBondContact O-CA 3.47Å; G135-S405 PolarHBondContact O-N 2.82Å; G135-S405 VanDerWaalsContact O-O 3.08Å
136	E	90.8	Very high	89.1	Confident	15 Å²	15	29.7 Å²	29.7	7%	0.07	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-67.7	129.5	-179.2	-172.3	-170.4	-173.1	0	0	112.5	R71 I133 P134 A140 K141	R71-E136 IonicContact CZ-OE1 3.26Å; R71-E136 IonicContact CZ-OE2 3.5Å; R71-E136 VanDerWaalsContact NH1-CD 3.34Å; R71-E136 IonicContact NH1-OE1 3.41Å; R71-E136 PolarHBondContact NH1-OE1 2.83Å; R71-E136 IonicContact NH1-OE2 3.74Å; R71-E136 IonicContact NH2-OE1 3.67Å; R71-E136 PolarHBondContact NH2-OE1 2.89Å; R71-E136 IonicContact NH2-OE2 3.04Å; R71-E136 PolarHBondContact NH2-OE2 2.91Å; I133-E136 WeakPolarHBondContact O-CB 3.47Å; P134-E136 PolarHBondContact O-N 2.7Å; E136-A140 HydrophobicContact CG-CB 4.05Å; E136-K141 VanDerWaalsContact CD-CG 3.41Å; E136-K141 HydrophobicContact CG-CG 3.92Å; E136-K141 VanDerWaalsContact O-CE 3.23Å; E136-K141 WeakPolarHBondContact O-CE 3.48Å; E136-K141 PolarHBondContact O-NZ 2.82Å; E136-K141 PolarHBondContact OE1-N 2.95Å; E136-K141 WeakPolarHBondContact OE2-CG 3.29Å
137	N	91.4	Very high	87.9	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.032	17%	0.166	C	C	.	.			trans	-77.2	149.6	-176.3	-67	-27.1	0	0	0	112.7	G135 W139 A140 K141 Q399 V402 P403 S405	G135-N137 PolarHBondContact O-N 2.95Å; G135-N137 PolarHBondContact O-OD1 2.69Å; N137-W139 VanDerWaalsContact C-N 3.29Å; N137-W139 PolarHBondContact O-N 3.02Å; N137-A140 WeakPolarHBondContact O-CB 3.5Å; N137-A140 PolarHBondContact O-N 3.37Å; N137-K141 PolarHBondContact O-N 3.04Å; N137-K141 VanDerWaalsContact O-N 3.15Å; N137-Q399 HydrophobicContact CB-CG 4.14Å; N137-Q399 WeakPolarHBondContact CB-O 3.42Å; N137-Q399 PolarHBondContact ND2-O 3.36Å; N137-Q399 WeakPolarHBondContact OD1-CG 3.44Å; N137-V402 PolarHBondContact ND2-O 2.88Å; N137-P403 WeakPolarHBondContact CB-O 3.29Å; N137-P403 PolarHBondContact N-O 3.19Å; N137-S405 PolarHBondContact ND2-OG 2.67Å; N137-S405 PolarHBondContact OD1-OG 3.34Å
138	Q	88.5	Confident	86.5	Confident	135 Å²	135	33.1 Å²	33.1	63%	0.631	17%	0.17	S	C	*	.	H	α-helix	trans	-56.5	-39.9	-173.8	-67.8	178.9	-4.1	0	0	113.1	A140 K141 H142	Q138-A140 VanDerWaalsContact C-N 3.3Å; Q138-A140 PolarHBondContact O-N 3.42Å; Q138-K141 PolarHBondContact O-N 2.84Å; Q138-H142 WeakPolarHBondContact O-CB 3.42Å; Q138-H142 PolarHBondContact O-CD2 3.1Å; Q138-H142 VanDerWaalsContact O-CG 3.31Å; Q138-H142 PolarHBondContact O-N 3.25Å
139	W	89.3	Confident	84.6	Confident	34 Å²	34	36.4 Å²	36.4	13%	0.129	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-34	179.6	75.5	-95.5	0	0	0	112.4	N137 G143 P311 L312 Q399 V402 P403 R544	N137-W139 VanDerWaalsContact C-N 3.29Å; N137-W139 PolarHBondContact O-N 3.02Å; W139-G143 PolarHBondContact O-N 3.43Å; W139-P311 HydrophobicContact CE3-CG 4.37Å; W139-P311 HydrophobicContact CZ3-CG 3.86Å; W139-L312 HydrophobicContact CZ3-CD1 4.33Å; W139-L312 HydrophobicContact CZ3-CG 4.44Å; W139-Q399 PolarHBondContact NE1-O 3.44Å; W139-V402 PolarHBondContact NE1-O 2.9Å; W139-P403 HydrophobicContact CH2-CB 4.5Å; W139-P403 HydrophobicContact CZ2-CB 4.18Å; W139-R544 VanDerWaalsContact CD2-CZ 3.45Å; W139-R544 VanDerWaalsContact CG-CZ 3.48Å; W139-R544 VanDerWaalsContact CG-NH2 3.31Å; W139-R544 HydrophobicContact CH2-CB 4.05Å; W139-R544 HydrophobicContact CH2-CG 3.84Å; W139-R544 HydrophobicContact CZ2-CB 4.46Å; W139-R544 HydrophobicContact CZ2-CG 3.83Å; W139-R544 HydrophobicContact CZ3-CG 4.28Å
140	A	87.8	Confident	82.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.5	-47.3	177	0	0	0	0	0	109.7	E136 N137 Q138 H142 G143 Y144 P403	E136-A140 HydrophobicContact CG-CB 4.05Å; N137-A140 WeakPolarHBondContact O-CB 3.5Å; N137-A140 PolarHBondContact O-N 3.37Å; Q138-A140 VanDerWaalsContact C-N 3.3Å; Q138-A140 PolarHBondContact O-N 3.42Å; A140-H142 VanDerWaalsContact C-N 3.34Å; A140-H142 PolarHBondContact O-N 3.25Å; A140-G143 PolarHBondContact O-N 2.98Å; A140-Y144 WeakPolarHBondContact O-CD2 3.47Å; A140-Y144 PolarHBondContact O-N 2.84Å; A140-P403 HydrophobicContact CB-CB 4.4Å
141	K	87.8	Confident	80	Confident	80 Å²	80	47.7 Å²	47.7	35%	0.348	25%	0.251	S	S	.	.	H	α-helix	trans	-53.9	-49.9	173.5	-67.1	-179.3	-179.7	177.5	0	111.8	E136 N137 Q138 Y144 A145	E136-K141 VanDerWaalsContact CD-CG 3.41Å; E136-K141 HydrophobicContact CG-CG 3.92Å; E136-K141 VanDerWaalsContact O-CE 3.23Å; E136-K141 WeakPolarHBondContact O-CE 3.48Å; E136-K141 PolarHBondContact O-NZ 2.82Å; E136-K141 PolarHBondContact OE1-N 2.95Å; E136-K141 WeakPolarHBondContact OE2-CG 3.29Å; N137-K141 PolarHBondContact O-N 3.04Å; N137-K141 VanDerWaalsContact O-N 3.15Å; Q138-K141 PolarHBondContact O-N 2.84Å; K141-Y144 PolarHBondContact O-N 3.49Å; K141-A145 WeakPolarHBondContact O-CB 3.37Å; K141-A145 PolarHBondContact O-N 2.79Å
142	H	86.5	Confident	77.4	Confident	113 Å²	113	48.8 Å²	48.8	52%	0.523	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-40.9	179.6	-72.7	-148	0	0	0	111.7	Q138 A140 Y144 A145 E146	Q138-H142 WeakPolarHBondContact O-CB 3.42Å; Q138-H142 PolarHBondContact O-CD2 3.1Å; Q138-H142 VanDerWaalsContact O-CG 3.31Å; Q138-H142 PolarHBondContact O-N 3.25Å; A140-H142 VanDerWaalsContact C-N 3.34Å; A140-H142 PolarHBondContact O-N 3.25Å; H142-Y144 VanDerWaalsContact C-N 3.34Å; H142-Y144 PolarHBondContact O-N 3.35Å; H142-A145 PolarHBondContact O-N 3.24Å; H142-E146 WeakPolarHBondContact O-CB 3.31Å; H142-E146 WeakPolarHBondContact O-CG 3.49Å; H142-E146 PolarHBondContact O-N 3.28Å
143	G	83.8	Confident	74.7	Confident	13 Å²	13	59.4 Å²	59.4	13%	0.134	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-39.4	177.7	0	0	0	0	0	113	W139 A140 T147	W139-G143 PolarHBondContact O-N 3.43Å; A140-G143 PolarHBondContact O-N 2.98Å; G143-T147 PolarHBondContact O-N 3.38Å; G143-T147 PolarHBondContact O-OG1 3.14Å
144	Y	83.8	Confident	72.2	Confident	15 Å²	15	63.3 Å²	63.3	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-70.2	-38	173.7	-76.7	-70.1	0	0	0	112.4	R71 A140 K141 H142 T148 N309 N310 P311	R71-Y144 VanDerWaalsContact CZ-CD2 3.41Å; A140-Y144 WeakPolarHBondContact O-CD2 3.47Å; A140-Y144 PolarHBondContact O-N 2.84Å; K141-Y144 PolarHBondContact O-N 3.49Å; H142-Y144 VanDerWaalsContact C-N 3.34Å; H142-Y144 PolarHBondContact O-N 3.35Å; Y144-T148 PolarHBondContact O-N 3.4Å; Y144-T148 PolarHBondContact O-OG1 3.37Å; Y144-N309 VanDerWaalsContact OH-C 3.29Å; Y144-N310 VanDerWaalsContact OH-C 3.3Å; Y144-N310 PolarHBondContact OH-N 3.12Å; Y144-N310 PolarHBondContact OH-O 3.49Å; Y144-P311 HydrophobicContact CD1-CB 3.99Å; Y144-P311 HydrophobicContact CD2-CB 3.74Å; Y144-P311 HydrophobicContact CD2-CG 4.1Å; Y144-P311 HydrophobicContact CE1-CB 3.97Å; Y144-P311 HydrophobicContact CE2-CB 3.7Å; Y144-P311 HydrophobicContact CE2-CG 4.01Å; Y144-P311 HydrophobicContact CG-CB 3.89Å
145	A	82.8	Confident	69.6	Low	32 Å²	32	68.5 Å²	68.5	26%	0.264	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-45.3	175.2	0	0	0	0	0	112.1	D56 K141 H142 T147 T148 S149	D56-A145 HydrophobicContact CB-CB 4.48Å; K141-A145 WeakPolarHBondContact O-CB 3.37Å; K141-A145 PolarHBondContact O-N 2.79Å; H142-A145 PolarHBondContact O-N 3.24Å; A145-T147 VanDerWaalsContact C-N 3.34Å; A145-T147 PolarHBondContact O-N 3.4Å; A145-T148 WeakPolarHBondContact O-CA 3.39Å; A145-T148 VanDerWaalsContact O-CB 3.3Å; A145-T148 WeakPolarHBondContact O-CB 3.29Å; A145-T148 PolarHBondContact O-N 3.19Å; A145-T148 VanDerWaalsContact O-N 3.07Å; A145-S149 PolarHBondContact O-N 2.91Å; A145-S149 PolarHBondContact O-OG 3.01Å
146	E	78.1	Confident	66.8	Low	114 Å²	114	71.9 Å²	71.9	53%	0.533	38%	0.376	S	S	.	.	H	α-helix	trans	-62.2	-40	179.2	-78.2	178.4	-174.2	0	0	112.5	H142 T148 S149 N150	H142-E146 WeakPolarHBondContact O-CB 3.31Å; H142-E146 WeakPolarHBondContact O-CG 3.49Å; H142-E146 PolarHBondContact O-N 3.28Å; E146-T148 PolarHBondContact O-N 3.45Å; E146-S149 WeakPolarHBondContact CA-OG 3.48Å; E146-S149 PolarHBondContact O-N 3.44Å; E146-S149 PolarHBondContact O-OG 2.96Å; E146-N150 WeakPolarHBondContact O-CB 3.47Å; E146-N150 PolarHBondContact O-N 2.86Å; E146-N150 PolarHBondContact O-ND2 3.38Å
147	T	68.4	Low	64.1	Low	71 Å²	71	75.6 Å²	75.6	44%	0.436	40%	0.404	S	S	.	.	H	α-helix	trans	-58.6	-37.5	175.4	-55.4	0	0	0	0	110.6	T49 G143 A145	T49-T147 HydrophobicContact CG2-CG2 4.5Å; T49-T147 WeakPolarHBondContact CG2-O 3.38Å; G143-T147 PolarHBondContact O-N 3.38Å; G143-T147 PolarHBondContact O-OG1 3.14Å; A145-T147 VanDerWaalsContact C-N 3.34Å; A145-T147 PolarHBondContact O-N 3.4Å
148	T	61.8	Low	61.3	Low	16 Å²	16	82 Å²	82	10%	0.098	44%	0.443	C	S	.	.	H	α-helix	trans	-75	-44.1	178.3	-40.6	0	0	0	0	112.3	R69 Y144 A145 E146 G152	R69-T148 PolarHBondContact NH2-OG1 2.81Å; Y144-T148 PolarHBondContact O-N 3.4Å; Y144-T148 PolarHBondContact O-OG1 3.37Å; A145-T148 WeakPolarHBondContact O-CA 3.39Å; A145-T148 VanDerWaalsContact O-CB 3.3Å; A145-T148 WeakPolarHBondContact O-CB 3.29Å; A145-T148 PolarHBondContact O-N 3.19Å; A145-T148 VanDerWaalsContact O-N 3.07Å; E146-T148 PolarHBondContact O-N 3.45Å; T148-G152 PolarHBondContact O-N 3.14Å; T148-G152 VanDerWaalsContact O-N 3.09Å
149	S	53.9	Low	58.8	Low	72 Å²	72	80.7 Å²	80.7	50%	0.503	45%	0.449	S	S	.	.	H	α-helix	trans	-74.4	-28	-173.7	62	0	0	0	0	113.8	A145 E146 Q151	A145-S149 PolarHBondContact O-N 2.91Å; A145-S149 PolarHBondContact O-OG 3.01Å; E146-S149 WeakPolarHBondContact CA-OG 3.48Å; E146-S149 PolarHBondContact O-N 3.44Å; E146-S149 PolarHBondContact O-OG 2.96Å; S149-Q151 PolarHBondContact O-N 3.23Å
150	N	46.1	Very low	56.1	Low	131 Å²	131	87.2 Å²	87.2	70%	0.701	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.8	-178.8	-78.7	-20	0	0	0	113.6	E146	E146-N150 WeakPolarHBondContact O-CB 3.47Å; E146-N150 PolarHBondContact O-N 2.86Å; E146-N150 PolarHBondContact O-ND2 3.38Å
151	Q	44.4	Very low	53.3	Low	126 Å²	126	93 Å²	93	59%	0.589	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	-14	178.9	-63.8	-173.1	-1.9	0	0	114.8	T49 S149	T49-Q151 HydrophobicContact CG2-CB 4.18Å; S149-Q151 PolarHBondContact O-N 3.23Å
152	G	38	Very low	50.5	Low	24 Å²	24	93.4 Å²	93.4	25%	0.247	52%	0.521	C	S	.	.			trans	-128.7	89.5	-180	0	0	0	0	0	113.2	T148 V154	T148-G152 PolarHBondContact O-N 3.14Å; T148-G152 VanDerWaalsContact O-N 3.09Å; G152-V154 PolarHBondContact O-N 3.16Å; G152-V154 VanDerWaalsContact O-N 3.15Å
153	R	35.6	Very low	47.7	Very low	235 Å²	235	93 Å²	93	89%	0.887	53%	0.531	S	S	*	.			trans	-76.6	98.8	166.5	-152.3	179.1	-167.6	176.4	3.6	107.5	V155	R153-V155 VanDerWaalsContact C-N 3.32Å; R153-V155 PolarHBondContact O-N 3.03Å
154	V	40.5	Very low	45.2	Very low	87 Å²	87	103.8 Å²	103.8	53%	0.527	57%	0.568	S	S	.	*			trans	-65	100.5	166.1	-175.1	0	0	0	0	106.2	G152	G152-V154 PolarHBondContact O-N 3.16Å; G152-V154 VanDerWaalsContact O-N 3.15Å
155	V	34.5	Very low	42.6	Very low	108 Å²	108	111.7 Å²	111.7	66%	0.655	61%	0.605	S	S	*	*			trans	-65.9	125.7	171	-172.3	0	0	0	0	105.7	R153 S157	R153-V155 VanDerWaalsContact C-N 3.32Å; R153-V155 PolarHBondContact O-N 3.03Å; V155-S157 PolarHBondContact O-N 3.16Å
156	P	30	Very low	40.1	Very low	82 Å²	82	119.7 Å²	119.7	53%	0.532	63%	0.634	S	S	.	*			trans	-56	117.8	175.3	21.2	-30.2	0	0	0	107.7	T158	P156-T158 PolarHBondContact O-N 3.08Å
157	S	32.3	Very low	37.8	Very low	94 Å²	94	125.9 Å²	125.9	66%	0.657	65%	0.653	S	S	*	*			trans	-67	102.2	174.7	-75.6	0	0	0	0	107.2	V155 S159	V155-S157 PolarHBondContact O-N 3.16Å; S157-S159 PolarHBondContact O-N 2.97Å
158	T	33.2	Very low	35.9	Very low	140 Å²	140	127.7 Å²	127.7	86%	0.859	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	8	176.7	53.4	0	0	0	0	112.9	P156	P156-T158 PolarHBondContact O-N 3.08Å
159	S	36.2	Very low	34.2	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-8.3	178	55.6	0	0	0	0	114.4	S157	S157-S159 PolarHBondContact O-N 2.97Å
160	Y	33.3	Very low	33.1	Very low	170 Å²	170	142.6 Å²	142.6	67%	0.667	72%	0.72	S	S	*	*			trans	-104.5	94.3	177.8	-159.7	-103.1	0	0	0	111.4	P162	Y160-P162 HydrophobicContact CE1-CB 4.26Å; Y160-P162 WeakPolarHBondContact O-CD 3.41Å
161	V	27.6	Very low	32.2	Very low	122 Å²	122	145.1 Å²	145.1	74%	0.739	73%	0.728	S	S	*	*			trans	-89.3	110.7	163.5	-175.8	0	0	0	0	106.6	S163	V161-S163 PolarHBondContact O-N 2.82Å
162	P	29.3	Very low	31.5	Very low	89 Å²	89	147.1 Å²	147.1	58%	0.578	74%	0.742	S	S	*	*			trans	-64.4	113.4	171.5	25.3	-29.4	0	0	0	107.3	Y160 R164	Y160-P162 HydrophobicContact CE1-CB 4.26Å; Y160-P162 WeakPolarHBondContact O-CD 3.41Å; P162-R164 VanDerWaalsContact C-N 3.33Å; P162-R164 PolarHBondContact O-N 3.49Å
163	S	27.8	Very low	31.2	Very low	105 Å²	105	154.7 Å²	154.7	73%	0.734	77%	0.771	S	S	*	*			trans	-64.2	98.1	172.9	67.8	0	0	0	0	108.2	V161 Q165	V161-S163 PolarHBondContact O-N 2.82Å; S163-Q165 VanDerWaalsContact C-N 3.3Å; S163-Q165 PolarHBondContact O-N 2.78Å
164	R	31.9	Very low	30.8	Very low	238 Å²	238	152.8 Å²	152.8	90%	0.898	77%	0.773	S	S	*	*			trans	-64	97	162.2	-92.5	-177.7	168.2	-176.6	-2.8	106.3	P162 K166	P162-R164 VanDerWaalsContact C-N 3.33Å; P162-R164 PolarHBondContact O-N 3.49Å; R164-K166 VanDerWaalsContact C-N 3.31Å; R164-K166 PolarHBondContact O-N 3.29Å
165	Q	29.9	Very low	30.3	Very low	181 Å²	181	157.2 Å²	157.2	85%	0.846	79%	0.79	S	S	*	*			trans	-60.9	100	161	-91.3	167.8	-34	0	0	107.5	S163 R167	S163-Q165 VanDerWaalsContact C-N 3.3Å; S163-Q165 PolarHBondContact O-N 2.78Å; Q165-R167 PolarHBondContact O-N 3.43Å
166	K	29.9	Very low	29.9	Very low	201 Å²	201	161.6 Å²	161.6	87%	0.874	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-58	119.2	162.5	-88.7	179.6	170.6	-179.5	0	106.6	R164 S168	R164-K166 VanDerWaalsContact C-N 3.31Å; R164-K166 PolarHBondContact O-N 3.29Å; K166-S168 PolarHBondContact O-N 2.76Å
167	R	30.2	Very low	29.8	Very low	244 Å²	244	163.5 Å²	163.5	92%	0.921	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-54.2	121.9	163.9	-62.4	177.6	-163.9	168.9	2.6	107.2	Q165 Y169	Q165-R167 PolarHBondContact O-N 3.43Å; R167-Y169 PolarHBondContact O-N 2.94Å
168	S	26.8	Very low	29.4	Very low	108 Å²	108	168.1 Å²	168.1	76%	0.755	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-67.2	123.8	165.3	51	0	0	0	0	107.2	K166 E170	K166-S168 PolarHBondContact O-N 2.76Å; S168-E170 PolarHBondContact O-N 2.97Å
169	Y	27.8	Very low	29.2	Very low	228 Å²	228	166.2 Å²	166.2	89%	0.894	81%	0.814	S	S	*	*			trans	-77.6	112	171.2	-152.4	-101	0	0	0	105.9	R167	R167-Y169 PolarHBondContact O-N 2.94Å
170	E	28.8	Very low	28.7	Very low	173 Å²	173	169.5 Å²	169.5	81%	0.808	82%	0.818	S	S	*	*			trans	-72.8	138.3	167.6	-71.3	-169.7	158.9	0	0	108.6	S168 D172	S168-E170 PolarHBondContact O-N 2.97Å; E170-D172 PolarHBondContact O-N 2.91Å
171	E	27.9	Very low	28.3	Very low	185 Å²	185	171.8 Å²	171.8	86%	0.864	83%	0.831	S	S	*	*			trans	-69.9	116.4	-177.5	-67.1	169.4	145.4	0	0	110
172	D	30.8	Very low	28.1	Very low	167 Å²	167	173.8 Å²	173.8	89%	0.893	83%	0.832	S	S	*	*			trans	-90.8	113.4	159.1	-91.8	-25.8	0	0	0	108.4	E170	E170-D172 PolarHBondContact O-N 2.91Å
173	E	30.7	Very low	27.9	Very low	183 Å²	183	177.6 Å²	177.6	86%	0.855	84%	0.84	S	S	*	*			trans	-63	129.5	165.5	-65.4	-173.7	146.2	0	0	109.8
174	E	28.2	Very low	27.6	Very low	195 Å²	195	179.1 Å²	179.1	91%	0.911	84%	0.835	S	S	*	*			trans	179.2	106.2	135.6	-98.4	172.2	-162.5	0	0	109.9
175	M	29	Very low	27.2	Very low	181 Å²	181	172.8 Å²	172.8	89%	0.892	82%	0.823	S	S	*	*			trans	-102.5	126.1	161.4	-87.2	-161.5	-155.5	0	0	109
176	E	25.9	Very low	26.9	Very low	199 Å²	199	172.5 Å²	172.5	93%	0.93	82%	0.822	S	S	*	*			trans	-138.4	102.1	141.4	-89.2	-157.9	154.1	0	0	112.4
177	V	27.4	Very low	26.6	Very low	122 Å²	122	167.3 Å²	167.3	74%	0.739	82%	0.816	S	S	*	*			trans	-7.7	133.1	150	-169.5	0	0	0	0	119.3
178	Q	25.7	Very low	26.1	Very low	192 Å²	192	160.1 Å²	160.1	90%	0.897	81%	0.809	S	S	*	*			trans	-145.3	153.4	134	-92.4	-164.7	13.1	0	0	112.8
179	P	27.8	Very low	26.2	Very low	100 Å²	100	160.3 Å²	160.3	65%	0.649	81%	0.81	S	S	*	*			trans	-111.8	153.1	-145	38.1	-28.5	0	0	0	116.7
180	Q	25.1	Very low	26.2	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	80%	0.803	S	S	*	*			trans	39.8	126.7	143.5	-68.8	-179.8	-24	0	0	120.8
181	K	25.4	Very low	25.8	Very low	217 Å²	217	152 Å²	152	94%	0.943	80%	0.801	S	S	*	*				-151.7	134.7	120.9	-110.8	169.5	-170.4	179.4	0	113.7
182	Q	23.9	Very low	25.6	Very low	165 Å²	165	147.6 Å²	147.6	77%	0.771	80%	0.797	S	S	*	*			trans	-70.7	169.4	-174.7	-93.7	171.1	-16.9	0	0	116.8
183	K	24.2	Very low	25.2	Very low	168 Å²	168	144.4 Å²	144.4	73%	0.73	79%	0.794	S	S	*	*			trans	82.9	140	154.9	-75.5	172.9	165.9	-129.5	0	116.1
184	E	22.9	Very low	24.8	Very low	138 Å²	138	143 Å²	143	65%	0.645	79%	0.792	S	S	*	*			cis	-164	125.1	8.2	-111	151.7	-166.7	0	0	105
185	T	22.4	Very low	25	Very low	104 Å²	104	138.8 Å²	138.8	64%	0.638	78%	0.782	S	S	*	*				70.2	131.4	96.1	-6	0	0	0	0	118.5
186	H	23.8	Very low	24.7	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.815	78%	0.783	S	S	*	*			trans	81.4	136.3	159.7	-55.1	-64.5	0	0	0	117.5
187	A	23.2	Very low	24.5	Very low	91 Å²	91	133.9 Å²	133.9	75%	0.752	78%	0.777	S	S	*	*			cis	-145.8	131	25.6	0	0	0	0	0	109.8
188	A	21.4	Very low	24.3	Very low	94 Å²	94	136.6 Å²	136.6	78%	0.777	79%	0.788	S	S	*	*				64.3	107.6	80.2	0	0	0	0	0	114.3
189	S	28	Very low	24.3	Very low	111 Å²	111	130.4 Å²	130.4	78%	0.776	78%	0.776	S	S	*	*			trans	-60.8	174.3	163.9	42.1	0	0	0	0	113.2
190	P	27.1	Very low	24.3	Very low	115 Å²	115	134 Å²	134	75%	0.747	79%	0.789	S	S	*	*				-143.3	135.8	101.2	19.5	3.3	0	0	0	113.2
191	S	21.7	Very low	24.3	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	79%	0.788	S	S	*	*				66.2	136.9	88.7	92.9	0	0	0	0	113.3
192	A	22.2	Very low	24.5	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	79%	0.788	S	S	*	*			cis	-172.2	172.5	25.8	0	0	0	0	0	111.3
193	A	23.4	Very low	24.5	Very low	100 Å²	100	134.8 Å²	134.8	83%	0.826	80%	0.795	S	S	*	*			trans	97.7	100.2	147.5	0	0	0	0	0	120
194	D	22.9	Very low	24.5	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	80%	0.799	S	S	*	*			trans	-53.9	161.3	143.6	-84.3	-39.1	0	0	0	111.9
195	P	30.8	Very low	24.6	Very low	106 Å²	106	138 Å²	138	69%	0.688	81%	0.812	S	S	*	*			cis	-153.8	160.5	49.5	35.1	-10.6	0	0	0	120.2
196	H	23.4	Very low	24.6	Very low	197 Å²	197	139.2 Å²	139.2	91%	0.912	82%	0.82	S	S	*	*			trans	57.5	124.2	147.8	-71.3	61	0	0	0	121.1
197	G	21.9	Very low	24.7	Very low	79 Å²	79	139.9 Å²	139.9	81%	0.814	82%	0.823	S	S	*	*			trans	168.3	94.2	160.1	0	0	0	0	0	115.9
198	N	24	Very low	24.7	Very low	179 Å²	179	140 Å²	140	96%	0.957	82%	0.824	S	S	*	*			trans	-17.4	132.4	162.2	-147.6	21.1	0	0	0	117.7
199	G	24	Very low	24.8	Very low	63 Å²	63	141.6 Å²	141.6	65%	0.649	83%	0.826	S	S	*	*			trans	171.4	110.2	166.9	0	0	0	0	0	114.1	C201	G199-C201 PolarHBondContact O-N 3.16Å
200	D	29	Very low	24.9	Very low	174 Å²	174	142.4 Å²	142.4	93%	0.93	83%	0.832	S	S	*	*			trans	-38.1	127.7	174.3	-78.4	-67.6	0	0	0	114.7
201	C	25.1	Very low	24.7	Very low	119 Å²	119	140.1 Å²	140.1	80%	0.804	83%	0.83	S	S	*	*			trans	-124.3	105	167.6	-86.4	0	0	0	0	110.7	G199 R203	G199-C201 PolarHBondContact O-N 3.16Å; C201-R203 PolarHBondContact O-N 2.85Å; C201-R203 VanDerWaalsContact O-N 3.11Å
202	K	29	Very low	25.1	Very low	215 Å²	215	144.8 Å²	144.8	94%	0.935	84%	0.839	S	S	*	*			trans	-51.1	108.7	158.2	-74.9	174.6	173.8	176.4	0	108.7	Q204	K202-Q204 PolarHBondContact O-N 2.89Å
203	R	24.3	Very low	25.3	Very low	243 Å²	243	145 Å²	145	92%	0.917	84%	0.84	S	S	*	*			trans	-77.9	108.4	170.2	-96	179.8	171	158.9	-1.8	109.5	C201	C201-R203 PolarHBondContact O-N 2.85Å; C201-R203 VanDerWaalsContact O-N 3.11Å
204	Q	24	Very low	25.3	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.822	84%	0.84	S	S	*	*			trans	-61	122.8	152	-89.5	168.7	-42.9	0	0	108.4	K202 T206	K202-Q204 PolarHBondContact O-N 2.89Å; Q204-T206 PolarHBondContact O-N 3.47Å; Q204-T206 VanDerWaalsContact O-N 3.17Å
205	E	24.4	Very low	25.5	Very low	198 Å²	198	143 Å²	143	93%	0.925	84%	0.839	S	S	*	*			trans	-65.4	111.7	163.6	-74.9	-177.4	152.7	0	0	107.9
206	T	24	Very low	25.4	Very low	129 Å²	129	142.1 Å²	142.1	79%	0.791	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-87.9	127.1	173.4	-48.9	0	0	0	0	106.9	Q204 A208	Q204-T206 PolarHBondContact O-N 3.47Å; Q204-T206 VanDerWaalsContact O-N 3.17Å; T206-A208 PolarHBondContact O-N 2.97Å
207	E	25.1	Very low	25.7	Very low	190 Å²	190	137.2 Å²	137.2	89%	0.888	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-50.6	131.4	174.8	-66.6	-178.8	145.8	0	0	111
208	A	23.6	Very low	26.5	Very low	94 Å²	94	142.8 Å²	142.8	78%	0.777	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-80	139.4	173.2	0	0	0	0	0	110.1	T206	T206-A208 PolarHBondContact O-N 2.97Å
209	P	22.7	Very low	27.9	Very low	126 Å²	126	139.5 Å²	139.5	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72.5	144.9	-173.8	29.7	-33.7	0	0	0	112	G211	P209-G211 PolarHBondContact O-N 3.09Å; P209-G211 VanDerWaalsContact O-N 3.09Å
210	S	30.5	Very low	30.1	Very low	129 Å²	129	141.6 Å²	141.6	90%	0.902	81%	0.811	S	S	*	*			trans	-59.6	104.5	174.5	54.4	0	0	0	0	111.6
211	G	22.5	Very low	32.5	Very low	67 Å²	67	135.5 Å²	135.5	69%	0.691	78%	0.778	S	S	*	*			trans	-121.9	124.2	167.6	0	0	0	0	0	109.9	P209 A213	P209-G211 PolarHBondContact O-N 3.09Å; P209-G211 VanDerWaalsContact O-N 3.09Å; G211-A213 PolarHBondContact O-N 2.77Å; G211-A213 VanDerWaalsContact O-N 3.16Å
212	Q	31.1	Very low	35.3	Very low	209 Å²	209	130.1 Å²	130.1	98%	0.977	74%	0.741	S	S	*	*			trans	-44.5	110.5	-175.8	-69	161.5	-22.7	0	0	113.1
213	A	26.2	Very low	38	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	70%	0.704	S	S	*	*			trans	-99.9	127.2	162.1	0	0	0	0	0	108.3	G211	G211-A213 PolarHBondContact O-N 2.77Å; G211-A213 VanDerWaalsContact O-N 3.16Å
214	A	23.7	Very low	40.8	Very low	99 Å²	99	110.2 Å²	110.2	82%	0.818	66%	0.662	S	S	*	*			trans	-51.6	138.9	179.4	0	0	0	0	0	112	A216	A214-A216 PolarHBondContact O-N 3.43Å; A214-A216 VanDerWaalsContact O-N 3.1Å
215	S	26.8	Very low	43.7	Very low	116 Å²	116	102.4 Å²	102.4	81%	0.811	63%	0.626	S	S	*	*			trans	-45.9	106.5	-176.6	52.1	0	0	0	0	113.7	S217	S215-S217 PolarHBondContact O-N 2.92Å
216	A	28.4	Very low	46.2	Very low	86 Å²	86	97.6 Å²	97.6	71%	0.711	61%	0.612	S	S	*	*			trans	-58.7	119	145.4	0	0	0	0	0	106.1	A214 H218	A214-A216 PolarHBondContact O-N 3.43Å; A214-A216 VanDerWaalsContact O-N 3.1Å; A216-H218 PolarHBondContact O-N 2.84Å
217	S	30.2	Very low	48.4	Very low	95 Å²	95	95 Å²	95	66%	0.664	61%	0.61	S	S	*	*			trans	-47.6	114.1	173.4	49.1	0	0	0	0	108.8	S215 L219	S215-S217 PolarHBondContact O-N 2.92Å; S217-L219 VanDerWaalsContact C-N 3.27Å; S217-L219 PolarHBondContact O-N 3Å
218	H	38.4	Very low	51	Low	196 Å²	196	87.6 Å²	87.6	91%	0.907	58%	0.576	S	S	*	*			trans	-56.4	95	169.1	-98.9	-99.8	0	0	0	107.3	A216 D220	A216-H218 PolarHBondContact O-N 2.84Å; H218-D220 PolarHBondContact O-N 2.99Å
219	L	53.4	Low	53.5	Low	110 Å²	110	92 Å²	92	58%	0.576	58%	0.577	S	S	*	*			trans	-66.7	119.6	170.4	-76.6	163.1	0	0	0	106.4	S217 L221 L294	S217-L219 VanDerWaalsContact C-N 3.27Å; S217-L219 PolarHBondContact O-N 3Å; L219-L221 PolarHBondContact O-N 3.01Å; L219-L294 HydrophobicContact CD1-CD1 3.4Å; L219-L294 VanDerWaalsContact CD1-CD1 3.4Å
220	D	69.4	Low	56.1	Low	107 Å²	107	87.5 Å²	87.5	57%	0.572	56%	0.555	S	S	*	*			trans	-70.4	99.1	178.5	179.5	14.3	0	0	0	109.2	H218 N222 R430	H218-D220 PolarHBondContact O-N 2.99Å; D220-N222 PolarHBondContact O-N 2.84Å; D220-N222 VanDerWaalsContact O-N 3.09Å; D220-N222 PolarHBondContact OD1-N 3.41Å; D220-R430 IonicContact OD2-NH2 3.08Å
221	L	78.8	Confident	58.6	Low	45 Å²	45	82.8 Å²	82.8	24%	0.236	52%	0.521	C	S	.	.			trans	-70.1	8.5	175.8	-64.8	177.6	0	0	0	112.9	Y129 L219 F223 V295	Y129-L221 PolarHBondContact OH-O 3.49Å; L219-L221 PolarHBondContact O-N 3.01Å; L221-F223 VanDerWaalsContact C-N 3.28Å; L221-F223 HydrophobicContact CB-CD2 4.06Å; L221-F223 HydrophobicContact CB-CE1 4.29Å; L221-F223 HydrophobicContact CB-CE2 3.57Å; L221-F223 HydrophobicContact CB-CZ 3.68Å; L221-F223 HydrophobicContact CD1-CE2 3.68Å; L221-F223 HydrophobicContact CD1-CZ 3.63Å; L221-F223 HydrophobicContact CG-CE2 4.22Å; L221-F223 HydrophobicContact CG-CZ 4.31Å; L221-F223 PolarHBondContact O-N 3.31Å; L221-V295 HydrophobicContact CD2-CG2 4.07Å
222	N	83.9	Confident	61.8	Low	6 Å²	6	79.6 Å²	79.6	3%	0.032	49%	0.488	C	S	.	.			trans	62.1	33.1	171.9	-164.6	42.8	0	0	0	112.8	Q75 D220 L431 V432 S433	Q75-N222 PolarHBondContact NE2-O 2.79Å; Q75-N222 PolarHBondContact OE1-O 2.93Å; Q75-N222 VanDerWaalsContact OE1-O 3.12Å; D220-N222 PolarHBondContact O-N 2.84Å; D220-N222 VanDerWaalsContact O-N 3.09Å; D220-N222 PolarHBondContact OD1-N 3.41Å; N222-L431 PolarHBondContact ND2-O 3.43Å; N222-V432 WeakPolarHBondContact OD1-CA 3.47Å; N222-V432 WeakPolarHBondContact OD1-CG1 3.36Å; N222-S433 WeakPolarHBondContact O-CB 3.32Å; N222-S433 PolarHBondContact O-OG 2.91Å; N222-S433 PolarHBondContact OD1-N 2.88Å; N222-S433 PolarHBondContact OD1-OG 2.94Å
223	F	86.8	Confident	64.6	Low	34 Å²	34	69.7 Å²	69.7	15%	0.149	44%	0.442	C	S	.	.			trans	-64.5	142.2	177.7	-64.6	-55.2	0	0	0	111.2	V131 P132 L221 L225 E228 G230 S433	V131-F223 HydrophobicContact CB-CD1 4.26Å; V131-F223 HydrophobicContact CB-CE1 4.49Å; V131-F223 HydrophobicContact CG1-CD1 4.05Å; V131-F223 HydrophobicContact CG1-CE1 4.27Å; P132-F223 HydrophobicContact CG-CD1 4.49Å; P132-F223 HydrophobicContact CG-CE1 4.2Å; L221-F223 VanDerWaalsContact C-N 3.28Å; L221-F223 HydrophobicContact CB-CD2 4.06Å; L221-F223 HydrophobicContact CB-CE1 4.29Å; L221-F223 HydrophobicContact CB-CE2 3.57Å; L221-F223 HydrophobicContact CB-CZ 3.68Å; L221-F223 HydrophobicContact CD1-CE2 3.68Å; L221-F223 HydrophobicContact CD1-CZ 3.63Å; L221-F223 HydrophobicContact CG-CE2 4.22Å; L221-F223 HydrophobicContact CG-CZ 4.31Å; L221-F223 PolarHBondContact O-N 3.31Å; F223-L225 VanDerWaalsContact C-N 3.34Å; F223-L225 PolarHBondContact O-N 2.81Å; F223-E228 HydrophobicContact CB-CB 4.06Å; F223-E228 HydrophobicContact CD2-CB 4.4Å; F223-E228 HydrophobicContact CG-CB 4.19Å; F223-G230 WeakPolarHBondContact CZ-O 3.32Å; F223-S433 PolarHBondContact O-OG 2.96Å
224	P	83	Confident	67.8	Low	7 Å²	7	65.1 Å²	65.1	5%	0.045	40%	0.404	C	S	.	.	S	Bend	trans	-60.3	-39.6	178	-28.6	38.3	0	0	0	114	V131 P134 A435 Q437	V131-P224 HydrophobicContact CG2-CG 4.41Å; P134-P224 HydrophobicContact CB-CB 4.3Å; P134-P224 HydrophobicContact CB-CG 4.41Å; P134-P224 HydrophobicContact CG-CB 4.15Å; P134-P224 HydrophobicContact CG-CG 3.75Å; P224-A435 VanDerWaalsContact O-CA 3.29Å; P224-A435 WeakPolarHBondContact O-CA 3.36Å; P224-A435 PolarHBondContact O-N 2.97Å; P224-Q437 HydrophobicContact CB-CB 4.22Å; P224-Q437 HydrophobicContact CG-CB 4.32Å
225	L	85.1	Confident	71.1	Confident	11 Å²	11	60.6 Å²	60.6	6%	0.058	37%	0.366	C	S	.	.	S	Bend	trans	-108.7	144.3	-176.2	-57.1	-178.1	0	0	0	112.6	P134 F223 G227 E228 F406 A435 L438	P134-L225 HydrophobicContact CB-CD1 4.22Å; P134-L225 HydrophobicContact CB-CG 4.27Å; F223-L225 VanDerWaalsContact C-N 3.34Å; F223-L225 PolarHBondContact O-N 2.81Å; L225-G227 PolarHBondContact O-N 3.27Å; L225-E228 HydrophobicContact CB-CG 3.86Å; L225-E228 WeakPolarHBondContact CD1-OE1 3.49Å; L225-E228 PolarHBondContact O-N 2.82Å; L225-F406 HydrophobicContact CD1-CB 4.15Å; L225-F406 HydrophobicContact CD1-CD2 3.6Å; L225-F406 HydrophobicContact CD1-CE2 4.21Å; L225-F406 HydrophobicContact CD1-CG 3.93Å; L225-F406 HydrophobicContact CD2-CD1 3.92Å; L225-F406 HydrophobicContact CD2-CD2 3.67Å; L225-F406 HydrophobicContact CD2-CE1 3.87Å; L225-F406 HydrophobicContact CD2-CE2 3.6Å; L225-F406 HydrophobicContact CD2-CG 3.84Å; L225-F406 HydrophobicContact CD2-CZ 3.71Å; L225-F406 HydrophobicContact CG-CD2 4.18Å; L225-F406 HydrophobicContact CG-CE2 4.34Å; L225-A435 HydrophobicContact CD2-CB 3.88Å; L225-A435 WeakPolarHBondContact CD2-O 3.39Å; L225-L438 HydrophobicContact CD1-CD2 4.04Å; L225-L438 HydrophobicContact CD2-CD2 4.01Å; L225-L438 HydrophobicContact CG-CD2 4.21Å
226	P	75.4	Confident	74.2	Confident	97 Å²	97	55.4 Å²	55.4	63%	0.63	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	133.1	177.8	27.6	-33.6	0	0	0	111.1	E228	P226-E228 VanDerWaalsContact C-N 3.33Å
227	G	71.9	Confident	77.2	Confident	74 Å²	74	51.5 Å²	51.5	76%	0.763	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	5.7	176.9	0	0	0	0	0	115.1	L225	L225-G227 PolarHBondContact O-N 3.27Å
228	E	78.9	Confident	79.9	Confident	36 Å²	36	47.7 Å²	47.7	17%	0.168	27%	0.267	C	S	.	.			trans	-63.1	137.2	170.9	-80.3	-175.5	163	0	0	111.9	P134 G135 F223 L225 P226	P134-E228 WeakPolarHBondContact CA-OE1 3.5Å; P134-E228 WeakPolarHBondContact CB-OE1 3.43Å; G135-E228 PolarHBondContact N-OE1 3.38Å; F223-E228 HydrophobicContact CB-CB 4.06Å; F223-E228 HydrophobicContact CD2-CB 4.4Å; F223-E228 HydrophobicContact CG-CB 4.19Å; L225-E228 HydrophobicContact CB-CG 3.86Å; L225-E228 WeakPolarHBondContact CD1-OE1 3.49Å; L225-E228 PolarHBondContact O-N 2.82Å; P226-E228 VanDerWaalsContact C-N 3.33Å
229	K	75.2	Confident	82.1	Confident	185 Å²	185	41.9 Å²	41.9	80%	0.804	24%	0.241	S	C	*	.			trans	-126.6	126.2	176.1	-60.6	-178.6	-176	179.6	0	107.4
230	G	78.6	Confident	83.6	Confident	33 Å²	33	40.8 Å²	40.8	34%	0.34	24%	0.235	S	C	.	.	S	Bend	trans	172.4	174.9	176.6	0	0	0	0	0	111.4	F223	F223-G230 WeakPolarHBondContact CZ-O 3.32Å
231	P	83.8	Confident	84.3	Confident	29 Å²	29	38.5 Å²	38.5	19%	0.188	22%	0.219	C	C	.	.			trans	-79.2	120.7	179.8	32.2	-35	0	0	0	110.8	L54 F70 P132	L54-P231 HydrophobicContact CD1-CB 4.49Å; L54-P231 HydrophobicContact CD2-CB 4.23Å; L54-P231 HydrophobicContact CD2-CG 4.49Å; L54-P231 HydrophobicContact CG-CB 3.96Å; L54-P231 HydrophobicContact CG-CG 4.02Å; L54-P231 WeakPolarHBondContact O-CG 3.47Å; F70-P231 HydrophobicContact CE2-CG 3.85Å; F70-P231 WeakPolarHBondContact CZ-O 3.39Å; P132-P231 WeakPolarHBondContact CD-O 3.39Å
232	S	88.6	Confident	84.7	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.007	25%	0.245	C	C	.	.			trans	-80.4	139.7	159.5	46.9	0	0	0	0	109.2	Y129 P296	Y129-S232 VanDerWaalsContact OH-CB 3.3Å; Y129-S232 WeakPolarHBondContact OH-CB 3.27Å; S232-P296 VanDerWaalsContact O-CD 3.32Å; S232-P296 WeakPolarHBondContact O-CD 3.2Å
233	C	90.5	Very high	84.8	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.3	-177.5	-171.1	0	0	0	0	111.5	L54 F70 C130 P296 L298	L54-C233 HydrophobicContact CD2-CB 4.13Å; F70-C233 HydrophobicContact CD1-CB 3.97Å; F70-C233 HydrophobicContact CE1-CB 3.51Å; F70-C233 HydrophobicContact CZ-CB 4.12Å; C130-C233 PolarHBondContact N-O 2.93Å; C130-C233 PolarHBondContact O-N 3.32Å; C233-P296 WeakPolarHBondContact CA-O 3.43Å; C233-P296 HydrophobicContact CB-CG 4.49Å; C233-P296 PolarHBondContact SG-O 3.36Å; C233-L298 WeakPolarHBondContact SG-CD1 3.31Å; C233-L298 WeakPolarHBondContact SG-CG 3.19Å
234	L	92	Very high	85	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.9	166.9	-67.1	171.2	0	0	0	108.9	F78 T127 F128 Y129 P290 V295 P296 R297 L298	F78-L234 HydrophobicContact CD2-CD2 4.14Å; F78-L234 HydrophobicContact CE2-CD2 3.6Å; T127-L234 HydrophobicContact CG2-CB 4.29Å; T127-L234 HydrophobicContact CG2-CD2 3.91Å; F128-L234 CarbonylContact O-C 3.58Å; F128-L234 WeakPolarHBondContact O-CA 3.25Å; Y129-L234 HydrophobicContact CD2-CD2 3.74Å; L234-P290 HydrophobicContact CD1-CG 4.06Å; L234-V295 HydrophobicContact CD1-CG1 4.47Å; L234-V295 HydrophobicContact CG-CG1 3.94Å; L234-P296 PolarHBondContact N-O 3.14Å; L234-R297 HydrophobicContact CB-CG 4.15Å; L234-R297 HydrophobicContact CD1-CG 4.2Å; L234-R297 CarbonylContact O-C 3.54Å; L234-R297 WeakPolarHBondContact O-CA 3.32Å; L234-L298 PolarHBondContact O-N 3.49Å
235	V	93.4	Very high	85.4	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.03	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.5	177.5	-178.3	0	0	0	0	108.8	F128 C130 V237 V252 L298 L300	F128-V235 HydrophobicContact CB-CB 4.49Å; F128-V235 PolarHBondContact N-O 2.88Å; F128-V235 PolarHBondContact O-N 3.26Å; C130-V235 HydrophobicContact CB-CG2 4.04Å; V235-V237 HydrophobicContact CG1-CG2 4.29Å; V235-V252 HydrophobicContact CG1-CG1 4.1Å; V235-V252 HydrophobicContact CG2-CG1 4.45Å; V235-L298 CarbonylContact C-O 3.37Å; V235-L298 WeakPolarHBondContact CA-O 3.41Å; V235-L298 HydrophobicContact CG2-CB 4.39Å; V235-L300 HydrophobicContact CG1-CB 4.09Å
236	K	92.6	Very high	85.6	Confident	7 Å²	7	59 Å²	59	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.5	-178.2	-58.5	-165.4	175.4	-165	0	110.3	E81 D106 Q126 L298 L300	E81-K236 IonicContact OE1-NZ 3.95Å; E81-K236 IonicContact OE2-NZ 3.32Å; E81-K236 PolarHBondContact OE2-NZ 3.36Å; D106-K236 WeakPolarHBondContact OD1-CE 3.34Å; D106-K236 IonicContact OD1-NZ 3.19Å; D106-K236 PolarHBondContact OD1-NZ 2.89Å; D106-K236 IonicContact OD2-NZ 3.96Å; Q126-K236 WeakPolarHBondContact O-CA 3.48Å; K236-L298 PolarHBondContact N-O 3.31Å; K236-L300 WeakPolarHBondContact O-CB 3.42Å; K236-L300 PolarHBondContact O-N 3.17Å
237	V	91.7	Very high	86.3	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.5	-173.8	-178	0	0	0	0	109.7	R125 Q126 F128 V235 E239 W241 F244 L300	R125-V237 CarbonylContact C-O 3.46Å; R125-V237 WeakPolarHBondContact CA-O 3.23Å; R125-V237 WeakPolarHBondContact CB-O 3.41Å; Q126-V237 PolarHBondContact N-O 2.74Å; Q126-V237 PolarHBondContact O-N 3.22Å; F128-V237 HydrophobicContact CD2-CB 4.38Å; F128-V237 HydrophobicContact CD2-CG2 3.63Å; F128-V237 HydrophobicContact CE2-CB 3.95Å; F128-V237 HydrophobicContact CE2-CG2 3.53Å; V235-V237 HydrophobicContact CG1-CG2 4.29Å; V237-E239 WeakPolarHBondContact CG1-O 3.47Å; V237-W241 HydrophobicContact CB-CB 4.18Å; V237-W241 HydrophobicContact CG1-CB 3.77Å; V237-F244 HydrophobicContact CG1-CE2 4.31Å; V237-L300 HydrophobicContact CB-CD2 4.22Å; V237-L300 HydrophobicContact CG1-CD2 3.89Å; V237-L300 HydrophobicContact CG2-CB 4.06Å; V237-L300 HydrophobicContact CG2-CD2 3.54Å; V237-L300 HydrophobicContact CG2-CG 4.41Å
238	Y	86.9	Confident	87.3	Confident	15 Å²	15	52.2 Å²	52.2	6%	0.059	25%	0.245	C	C	.	.			trans	-95.7	-24.8	-174.7	-66.7	-86.6	0	0	0	113.5	F83 K103 Y104 R125 W241 H299	F83-Y238 HydrophobicContact CD1-CE1 4.34Å; F83-Y238 HydrophobicContact CD2-CE1 4.36Å; F83-Y238 AromaticContact CE1-CD1 3.71Å; F83-Y238 HydrophobicContact CE1-CD1 3.71Å; F83-Y238 AromaticContact CE1-CE1 3.7Å; F83-Y238 HydrophobicContact CE1-CE1 3.7Å; F83-Y238 HydrophobicContact CE2-CD1 4.2Å; F83-Y238 AromaticContact CE2-CE1 3.71Å; F83-Y238 HydrophobicContact CE2-CE1 3.71Å; F83-Y238 AromaticContact CZ-CD1 3.43Å; F83-Y238 HydrophobicContact CZ-CD1 3.43Å; F83-Y238 VanDerWaalsContact CZ-CD1 3.43Å; F83-Y238 AromaticContact CZ-CE1 3.36Å; F83-Y238 HydrophobicContact CZ-CE1 3.36Å; K103-Y238 HydrophobicContact CB-CE1 4.44Å; K103-Y238 HydrophobicContact CG-CD1 4.39Å; K103-Y238 HydrophobicContact CG-CE1 4.5Å; Y104-Y238 WeakPolarHBondContact CA-OH 3.46Å; Y104-Y238 AromaticContact CD1-CD2 3.79Å; Y104-Y238 HydrophobicContact CD1-CD2 3.79Å; Y104-Y238 AromaticContact CD1-CE2 3.55Å; Y104-Y238 HydrophobicContact CD1-CE2 3.55Å; Y104-Y238 AromaticContact CE1-CD2 3.59Å; Y104-Y238 HydrophobicContact CE1-CD2 3.59Å; Y104-Y238 AromaticContact CE1-CE2 3.88Å; Y104-Y238 HydrophobicContact CE1-CE2 3.88Å; Y104-Y238 HydrophobicContact CE1-CG 4.43Å; Y104-Y238 HydrophobicContact CG-CE2 4.24Å; Y104-Y238 VanDerWaalsContact N-CZ 3.3Å; Y104-Y238 PolarHBondContact N-OH 3.27Å; R125-Y238 HydrophobicContact CB-CD1 3.95Å; R125-Y238 HydrophobicContact CB-CE1 4.11Å; R125-Y238 PolarHBondContact NH1-OH 2.67Å; R125-Y238 VanDerWaalsContact NH1-OH 3.13Å; Y238-W241 WeakPolarHBondContact O-CZ3 3.35Å; Y238-H299 HydrophobicContact CE2-CB 4.07Å; Y238-H299 AromaticContact CE2-ND1 3.83Å; Y238-H299 AromaticContact CZ-ND1 3.75Å; Y238-H299 PolarHBondContact OH-CE1 3.43Å; Y238-H299 PolarHBondContact OH-ND1 2.88Å
239	E	84.8	Confident	88	Confident	74 Å²	74	51.2 Å²	51.2	35%	0.346	24%	0.241	S	C	.	.	S	Bend	trans	-145.3	153.5	-174.5	-68.4	173.4	-154.8	0	0	109.5	K103 V237 W241	K103-E239 IonicContact NZ-OE1 2.83Å; K103-E239 PolarHBondContact NZ-OE1 3.11Å; V237-E239 WeakPolarHBondContact CG1-O 3.47Å; E239-W241 PolarHBondContact O-N 2.86Å; E239-W241 VanDerWaalsContact O-N 3.1Å
240	D	83.6	Confident	88.8	Confident	87 Å²	87	42.7 Å²	42.7	47%	0.465	20%	0.204	S	C	.	.			trans	54.4	27.6	174.6	-69.7	-35.8	0	0	0	115.5	E242 R243	D240-E242 PolarHBondContact O-N 2.87Å; D240-E242 VanDerWaalsContact O-N 3.14Å; D240-R243 HydrophobicContact CB-CG 4.37Å; D240-R243 WeakPolarHBondContact O-CB 2.96Å; D240-R243 WeakPolarHBondContact O-CG 3.28Å; D240-R243 PolarHBondContact O-N 3.44Å; D240-R243 VanDerWaalsContact O-N 3.12Å; D240-R243 IonicContact OD1-CZ 2.66Å; D240-R243 IonicContact OD1-NH2 2.79Å; D240-R243 PolarHBondContact OD1-NH2 3.18Å; D240-R243 IonicContact OD2-CZ 2.57Å; D240-R243 IonicContact OD2-NE 2.63Å; D240-R243 IonicContact OD2-NH1 3.69Å; D240-R243 PolarHBondContact OD2-NH1 3.33Å; D240-R243 IonicContact OD2-NH2 3.5Å; D240-R243 PolarHBondContact OD2-NH2 2.8Å
241	W	85.3	Confident	89.4	Confident	59 Å²	59	41.7 Å²	41.7	22%	0.223	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-62.9	-22.8	-176.4	57.2	82.6	0	0	0	113.9	E124 Q126 F128 V237 Y238 E239 R243 F244	E124-W241 HydrophobicContact CG-CH2 3.92Å; E124-W241 WeakPolarHBondContact OE1-CH2 3.37Å; Q126-W241 HydrophobicContact CB-CB 3.68Å; Q126-W241 HydrophobicContact CB-CD2 4.03Å; Q126-W241 HydrophobicContact CB-CE3 4.49Å; Q126-W241 HydrophobicContact CB-CG 3.65Å; Q126-W241 HydrophobicContact CG-CB 3.98Å; Q126-W241 HydrophobicContact CG-CG 4.08Å; F128-W241 HydrophobicContact CE2-CB 4.12Å; F128-W241 HydrophobicContact CZ-CB 4.17Å; V237-W241 HydrophobicContact CB-CB 4.18Å; V237-W241 HydrophobicContact CG1-CB 3.77Å; Y238-W241 WeakPolarHBondContact O-CZ3 3.35Å; E239-W241 PolarHBondContact O-N 2.86Å; E239-W241 VanDerWaalsContact O-N 3.1Å; W241-R243 PolarHBondContact O-N 2.98Å; W241-R243 VanDerWaalsContact O-N 3.09Å; W241-F244 PolarHBondContact O-N 2.94Å; W241-F244 VanDerWaalsContact O-N 3.17Å
242	E	86.1	Confident	89.8	Confident	167 Å²	167	40.4 Å²	40.4	78%	0.78	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-59.7	-18.1	175	-60.7	-176.7	172.9	0	0	113.8	D240 F244	D240-E242 PolarHBondContact O-N 2.87Å; D240-E242 VanDerWaalsContact O-N 3.14Å; E242-F244 VanDerWaalsContact C-N 3.29Å; E242-F244 PolarHBondContact O-N 3.49Å
243	R	87.5	Confident	89.9	Confident	169 Å²	169	40.3 Å²	40.3	64%	0.638	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-71.4	-23.7	178.3	-67	-173.1	179.5	143.8	13.6	113.3	D240 W241	D240-R243 HydrophobicContact CB-CG 4.37Å; D240-R243 WeakPolarHBondContact O-CB 2.96Å; D240-R243 WeakPolarHBondContact O-CG 3.28Å; D240-R243 PolarHBondContact O-N 3.44Å; D240-R243 VanDerWaalsContact O-N 3.12Å; D240-R243 IonicContact OD1-CZ 2.66Å; D240-R243 IonicContact OD1-NH2 2.79Å; D240-R243 PolarHBondContact OD1-NH2 3.18Å; D240-R243 IonicContact OD2-CZ 2.57Å; D240-R243 IonicContact OD2-NE 2.63Å; D240-R243 IonicContact OD2-NH1 3.69Å; D240-R243 PolarHBondContact OD2-NH1 3.33Å; D240-R243 IonicContact OD2-NH2 3.5Å; D240-R243 PolarHBondContact OD2-NH2 2.8Å; W241-R243 PolarHBondContact O-N 2.98Å; W241-R243 VanDerWaalsContact O-N 3.09Å
244	F	90.1	Very high	90	Very high	27 Å²	27	40.3 Å²	40.3	12%	0.118	18%	0.182	C	C	.	.			trans	-99.6	129.9	-175.8	-53.9	-63.4	0	0	0	110.3	F128 V237 W241 E242 L250 L300 A303	F128-F244 HydrophobicContact CE1-CB 4.07Å; F128-F244 HydrophobicContact CZ-CB 4.04Å; F128-F244 HydrophobicContact CZ-CD2 4.42Å; V237-F244 HydrophobicContact CG1-CE2 4.31Å; W241-F244 PolarHBondContact O-N 2.94Å; W241-F244 VanDerWaalsContact O-N 3.17Å; E242-F244 VanDerWaalsContact C-N 3.29Å; E242-F244 PolarHBondContact O-N 3.49Å; F244-L250 HydrophobicContact CB-CD1 4.47Å; F244-L250 HydrophobicContact CD1-CD1 3.46Å; F244-L250 VanDerWaalsContact CD1-CD1 3.46Å; F244-L250 HydrophobicContact CD1-CD2 3.72Å; F244-L250 HydrophobicContact CD1-CG 4.26Å; F244-L250 HydrophobicContact CE1-CD1 3.91Å; F244-L250 HydrophobicContact CE1-CD2 3.97Å; F244-L250 HydrophobicContact CG-CD1 4.07Å; F244-L300 HydrophobicContact CE2-CD2 3.85Å; F244-L300 HydrophobicContact CZ-CD2 4.09Å; F244-A303 HydrophobicContact CE1-CB 3.83Å; F244-A303 HydrophobicContact CZ-CB 3.63Å
245	K	90.8	Very high	90	Very high	142 Å²	142	40.3 Å²	40.3	62%	0.617	18%	0.182	S	C	*	.			trans	-115.7	160.4	177.5	-62.2	-176.9	179.3	-176.1	0	110.9	N247 D248	K245-N247 PolarHBondContact O-N 2.9Å; K245-D248 PolarHBondContact N-OD2 2.92Å; K245-D248 WeakPolarHBondContact O-CB 3.33Å; K245-D248 PolarHBondContact O-N 2.93Å; K245-D248 VanDerWaalsContact O-N 3.15Å
246	L	90.4	Very high	89.8	Confident	29 Å²	29	40.1 Å²	40.1	15%	0.152	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	139.2	168.4	-69.5	172	0	0	0	110.3	V74 Q75 M77 D248 F487	V74-L246 HydrophobicContact CG1-CD2 4.43Å; Q75-L246 WeakPolarHBondContact O-CD2 3.49Å; M77-L246 HydrophobicContact CB-CD2 4.46Å; M77-L246 HydrophobicContact CG-CD2 3.82Å; M77-L246 HydrophobicContact CG-CG 4.17Å; M77-L246 HydrophobicContact SD-CD2 4.31Å; M77-L246 HydrophobicContact SD-CG 4Å; L246-D248 PolarHBondContact O-N 2.96Å; L246-F487 HydrophobicContact CB-CE1 4.21Å; L246-F487 HydrophobicContact CD1-CE1 3.68Å; L246-F487 HydrophobicContact CD1-CZ 3.6Å
247	N	90.9	Very high	89.5	Confident	20 Å²	20	40 Å²	40	11%	0.107	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	8.8	-177.4	-45.5	-45.8	0	0	0	115.7	L73 V74 K245 Q437 Y478	L73-N247 VanDerWaalsContact CD1-O 3.23Å; L73-N247 WeakPolarHBondContact CD1-O 3.39Å; V74-N247 PolarHBondContact O-N 3.36Å; K245-N247 PolarHBondContact O-N 2.9Å; N247-Q437 VanDerWaalsContact OD1-CG 3.22Å; N247-Q437 WeakPolarHBondContact OD1-CG 3.47Å; N247-Q437 PolarHBondContact OD1-NE2 3.39Å; N247-Y478 PolarHBondContact ND2-OH 3.05Å; N247-Y478 PolarHBondContact OD1-OH 3.26Å
248	D	91.8	Very high	88.9	Confident	9 Å²	9	41.8 Å²	41.8	5%	0.048	19%	0.192	C	C	.	.			trans	-72.3	134.7	169	-78.6	-25.4	0	0	0	110.9	L73 V74 K245 L246 L250 R305	L73-D248 WeakPolarHBondContact CA-O 3.47Å; V74-D248 PolarHBondContact N-O 3.35Å; K245-D248 PolarHBondContact N-OD2 2.92Å; K245-D248 WeakPolarHBondContact O-CB 3.33Å; K245-D248 PolarHBondContact O-N 2.93Å; K245-D248 VanDerWaalsContact O-N 3.15Å; L246-D248 PolarHBondContact O-N 2.96Å; D248-L250 HydrophobicContact CB-CD2 4.12Å; D248-L250 HydrophobicContact CB-CG 4.45Å; D248-R305 IonicContact OD1-CZ 3.79Å; D248-R305 IonicContact OD1-NE 3.75Å; D248-R305 PolarHBondContact OD1-NE 2.92Å; D248-R305 IonicContact OD1-NH2 3.32Å; D248-R305 PolarHBondContact OD1-NH2 3.36Å; D248-R305 IonicContact OD2-NE 2.81Å
249	T	92.7	Very high	88.1	Confident	15 Å²	15	42.7 Å²	42.7	9%	0.092	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	123	169.3	45.8	0	0	0	0	110	C72 L73 I133 L306 A439	C72-T249 CarbonylContact O-C 3.56Å; C72-T249 VanDerWaalsContact O-CA 3.32Å; C72-T249 WeakPolarHBondContact O-CA 3.32Å; L73-T249 HydrophobicContact CD1-CG2 3.73Å; I133-T249 HydrophobicContact CD1-CG2 4.19Å; I133-T249 HydrophobicContact CG1-CG2 4.19Å; T249-L306 PolarHBondContact O-N 3.02Å; T249-L306 PolarHBondContact OG1-O 3.09Å; T249-A439 HydrophobicContact CG2-CB 3.49Å; T249-A439 VanDerWaalsContact CG2-CB 3.49Å
250	L	92.7	Very high	87	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.4	-173.4	-54.8	178.9	0	0	0	111.2	R71 C72 V74 F244 D248 V252 E304 R305	R71-L250 WeakPolarHBondContact CA-O 3.49Å; C72-L250 PolarHBondContact N-O 3.14Å; C72-L250 PolarHBondContact O-N 2.85Å; V74-L250 HydrophobicContact CG2-CD1 3.54Å; V74-L250 HydrophobicContact CG2-CG 4.13Å; F244-L250 HydrophobicContact CB-CD1 4.47Å; F244-L250 HydrophobicContact CD1-CD1 3.46Å; F244-L250 VanDerWaalsContact CD1-CD1 3.46Å; F244-L250 HydrophobicContact CD1-CD2 3.72Å; F244-L250 HydrophobicContact CD1-CG 4.26Å; F244-L250 HydrophobicContact CE1-CD1 3.91Å; F244-L250 HydrophobicContact CE1-CD2 3.97Å; F244-L250 HydrophobicContact CG-CD1 4.07Å; D248-L250 HydrophobicContact CB-CD2 4.12Å; D248-L250 HydrophobicContact CB-CG 4.45Å; L250-V252 HydrophobicContact CB-CG2 4.07Å; L250-E304 CarbonylContact C-O 3.56Å; L250-E304 WeakPolarHBondContact CA-O 3.37Å; L250-R305 HydrophobicContact CD2-CB 4.12Å; L250-R305 HydrophobicContact CD2-CG 4.24Å
251	Q	91	Very high	86	Confident	11 Å²	11	42.1 Å²	42.1	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.4	158.5	-176.5	171.7	4.6	0	0	107.8	F253 A303 E304 L306 N315	Q251-F253 HydrophobicContact CG-CE2 3.81Å; Q251-F253 HydrophobicContact CG-CZ 4.05Å; Q251-A303 WeakPolarHBondContact O-CA 3.38Å; Q251-E304 PolarHBondContact N-O 3.46Å; Q251-E304 PolarHBondContact O-N 3.31Å; Q251-L306 HydrophobicContact CB-CD1 4.25Å; Q251-L306 HydrophobicContact CB-CD2 3.99Å; Q251-L306 HydrophobicContact CB-CG 4.12Å; Q251-N315 PolarHBondContact OE1-ND2 3.13Å
252	V	92.4	Very high	84.8	Confident	2 Å²	2	40 Å²	40	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.8	-176.9	169.2	0	0	0	0	109.3	R69 F70 V235 L250 L298 L300 A303	R69-V252 CarbonylContact C-O 3.56Å; R69-V252 VanDerWaalsContact CA-O 3.24Å; R69-V252 WeakPolarHBondContact CA-O 3.18Å; F70-V252 HydrophobicContact CB-CB 4.46Å; F70-V252 PolarHBondContact N-O 3.09Å; F70-V252 WeakPolarHBondContact O-CB 3.46Å; F70-V252 PolarHBondContact O-N 3.49Å; V235-V252 HydrophobicContact CG1-CG1 4.1Å; V235-V252 HydrophobicContact CG2-CG1 4.45Å; L250-V252 HydrophobicContact CB-CG2 4.07Å; V252-L298 HydrophobicContact CG1-CD1 4.5Å; V252-L300 HydrophobicContact CB-CD1 4.41Å; V252-L300 HydrophobicContact CG1-CD1 3.67Å; V252-L300 HydrophobicContact CG2-CD1 4.44Å; V252-A303 HydrophobicContact CG2-CB 4.34Å
253	F	91.7	Very high	83.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119	166.4	-61.4	-91.8	0	0	0	107.9	L42 Q48 V51 V68 R69 Q251 L301 H302	L42-F253 HydrophobicContact CD1-CB 3.75Å; L42-F253 HydrophobicContact CD1-CD1 4.09Å; L42-F253 HydrophobicContact CD1-CD2 4.17Å; L42-F253 HydrophobicContact CD1-CG 3.75Å; L42-F253 HydrophobicContact CD2-CD1 3.74Å; L42-F253 HydrophobicContact CD2-CE1 3.88Å; L42-F253 HydrophobicContact CD2-CG 4.27Å; Q48-F253 HydrophobicContact CB-CE1 4.48Å; Q48-F253 HydrophobicContact CB-CZ 4.34Å; Q48-F253 HydrophobicContact CG-CE1 4.46Å; Q48-F253 HydrophobicContact CG-CZ 4.05Å; V51-F253 HydrophobicContact CG1-CD1 4.35Å; V68-F253 WeakPolarHBondContact O-CA 3.37Å; R69-F253 HydrophobicContact CB-CD1 3.74Å; R69-F253 HydrophobicContact CB-CE1 3.71Å; Q251-F253 HydrophobicContact CG-CE2 3.81Å; Q251-F253 HydrophobicContact CG-CZ 4.05Å; F253-L301 PolarHBondContact O-N 3.42Å; F253-H302 WeakPolarHBondContact CA-O 3.37Å; F253-H302 HydrophobicContact CB-CB 4.46Å; F253-H302 AromaticContact CD2-CD2 3.96Å; F253-H302 PolarHBondContact N-O 2.88Å; F253-H302 PolarHBondContact O-N 2.74Å; F253-H302 VanDerWaalsContact O-N 3.16Å
254	G	91.4	Very high	81.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164.2	-173.5	0	0	0	0	0	113.5	V68 H299	V68-G254 PolarHBondContact N-O 3.28Å; V68-G254 PolarHBondContact O-N 2.78Å; G254-H299 CarbonylContact C-O 3.58Å; G254-H299 WeakPolarHBondContact CA-O 3.43Å
255	I	91.3	Very high	79.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.6	178.1	-52.5	-176.2	0	0	0	108.4	P11 L12 Y104 S257 L298 H299 L301	P11-I255 HydrophobicContact CB-CD1 3.76Å; P11-I255 HydrophobicContact CB-CG1 4Å; P11-I255 HydrophobicContact CG-CB 4.43Å; P11-I255 HydrophobicContact CG-CD1 3.77Å; P11-I255 HydrophobicContact CG-CG1 3.72Å; P11-I255 HydrophobicContact CG-CG2 4.07Å; L12-I255 HydrophobicContact CD1-CG2 4.24Å; L12-I255 HydrophobicContact CD2-CD1 3.44Å; L12-I255 VanDerWaalsContact CD2-CD1 3.44Å; L12-I255 HydrophobicContact CD2-CG2 4.24Å; L12-I255 HydrophobicContact CG-CD1 3.94Å; L12-I255 HydrophobicContact CG-CG2 4.07Å; Y104-I255 HydrophobicContact CG-CD1 4.35Å; I255-S257 PolarHBondContact O-N 2.98Å; I255-L298 WeakPolarHBondContact O-CA 3.43Å; I255-H299 HydrophobicContact CB-CB 4.39Å; I255-H299 PolarHBondContact N-O 2.92Å; I255-H299 PolarHBondContact O-N 3.48Å; I255-L301 HydrophobicContact CD1-CD1 4.02Å; I255-L301 HydrophobicContact CD1-CD2 4.44Å; I255-L301 HydrophobicContact CD1-CG 4.45Å; I255-L301 HydrophobicContact CG1-CD1 3.65Å; I255-L301 HydrophobicContact CG1-CG 4.16Å
256	L	90.4	Very high	77.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.4	-178.2	176.5	63.5	0	0	0	111.3	L59 L62 D65 S66 V68 V258 P296 L298	L59-L256 HydrophobicContact CD1-CD1 4.02Å; L59-L256 HydrophobicContact CD1-CD2 4.07Å; L62-L256 HydrophobicContact CB-CD2 3.52Å; L62-L256 HydrophobicContact CD1-CD2 4.03Å; L62-L256 HydrophobicContact CG-CD2 4.41Å; D65-L256 WeakPolarHBondContact CA-O 3.42Å; D65-L256 PolarHBondContact N-O 2.83Å; S66-L256 PolarHBondContact O-N 2.99Å; V68-L256 HydrophobicContact CG1-CB 3.91Å; V68-L256 HydrophobicContact CG1-CD2 4.14Å; V68-L256 HydrophobicContact CG2-CB 4.02Å; L256-V258 HydrophobicContact CD1-CG2 3.66Å; L256-V258 HydrophobicContact CD2-CG2 4.07Å; L256-V258 HydrophobicContact CG-CG2 3.7Å; L256-P296 HydrophobicContact CD1-CB 3.77Å; L256-L298 HydrophobicContact CB-CD2 4.1Å; L256-L298 HydrophobicContact CD1-CD2 4.13Å
257	S	86.4	Confident	75.6	Confident	6 Å²	6	32 Å²	32	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	113.3	173	-162.4	0	0	0	0	111.4	I255 R297	I255-S257 PolarHBondContact O-N 2.98Å; S257-R297 PolarHBondContact N-O 3.02Å; S257-R297 PolarHBondContact O-N 2.71Å
258	V	78.8	Confident	73.3	Confident	40 Å²	40	37.6 Å²	37.6	24%	0.242	23%	0.228	C	C	.	.			trans	-132.4	70.1	177.9	-170.7	0	0	0	0	108.6	L59 L256 A292 P296	L59-V258 HydrophobicContact CD1-CG2 3.89Å; L59-V258 HydrophobicContact CG-CG2 4.45Å; L256-V258 HydrophobicContact CD1-CG2 3.66Å; L256-V258 HydrophobicContact CD2-CG2 4.07Å; L256-V258 HydrophobicContact CG-CG2 3.7Å; V258-A292 HydrophobicContact CG1-CB 4.25Å; V258-P296 HydrophobicContact CG2-CB 4.46Å
259	S	69.6	Low	71	Confident	33 Å²	33	47 Å²	47	23%	0.231	27%	0.269	C	S	.	.			trans	-98	126.4	176.5	-179.3	0	0	0	0	111.5	A261 L262	S259-A261 PolarHBondContact O-N 3.47Å; S259-A261 PolarHBondContact OG-N 3.49Å; S259-L262 WeakPolarHBondContact O-CB 3.3Å; S259-L262 PolarHBondContact O-N 3.43Å; S259-L262 VanDerWaalsContact O-N 3.09Å
260	P	62.8	Low	68.3	Low	110 Å²	110	52.6 Å²	52.6	71%	0.714	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.9	173.3	-23.9	33.6	0	0	0	113.5	L262 S263 A264	P260-L262 PolarHBondContact O-N 2.91Å; P260-S263 PolarHBondContact O-N 3.3Å; P260-A264 PolarHBondContact O-N 2.99Å
261	A	61.8	Low	65.7	Low	39 Å²	39	54.9 Å²	54.9	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-27.1	176.5	0	0	0	0	0	112.1	V107 S259 S263 A264 L265	V107-A261 HydrophobicContact CG2-CB 4.43Å; S259-A261 PolarHBondContact O-N 3.47Å; S259-A261 PolarHBondContact OG-N 3.49Å; A261-S263 PolarHBondContact O-N 3.44Å; A261-A264 PolarHBondContact O-N 3.21Å; A261-L265 VanDerWaalsContact O-CG 3.3Å; A261-L265 WeakPolarHBondContact O-CG 2.89Å; A261-L265 PolarHBondContact O-N 3.04Å
262	L	61.2	Low	63.3	Low	16 Å²	16	63.8 Å²	63.8	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-70.1	-18.1	176.8	-59.6	167.4	0	0	0	113.2	D106 V107 S259 P260	D106-L262 HydrophobicContact CB-CD1 3.93Å; D106-L262 HydrophobicContact CB-CD2 3.66Å; D106-L262 HydrophobicContact CB-CG 4.42Å; V107-L262 HydrophobicContact CG2-CD2 3.72Å; V107-L262 HydrophobicContact CG2-CG 3.99Å; S259-L262 WeakPolarHBondContact O-CB 3.3Å; S259-L262 PolarHBondContact O-N 3.43Å; S259-L262 VanDerWaalsContact O-N 3.09Å; P260-L262 PolarHBondContact O-N 2.91Å
263	S	57.6	Low	61.1	Low	42 Å²	42	69.8 Å²	69.8	29%	0.294	39%	0.385	S	S	.	.	H	α-helix	trans	-87.1	-33	170.9	-54.3	0	0	0	0	111.4	P260 A261 A266	P260-S263 PolarHBondContact O-N 3.3Å; A261-S263 PolarHBondContact O-N 3.44Å; S263-A266 PolarHBondContact O-N 2.79Å
264	A	51.3	Low	58.8	Low	54 Å²	54	73.3 Å²	73.3	45%	0.446	40%	0.404	S	S	.	.	H	α-helix	trans	-71.6	-37.2	177.6	0	0	0	0	0	112.7	P260 A261 A266 D267 E268	P260-A264 PolarHBondContact O-N 2.99Å; A261-A264 PolarHBondContact O-N 3.21Å; A264-A266 PolarHBondContact O-N 3.47Å; A264-D267 PolarHBondContact O-N 3.46Å; A264-D267 VanDerWaalsContact O-N 3.09Å; A264-E268 PolarHBondContact O-N 2.88Å
265	L	50.2	Low	56.3	Low	89 Å²	89	79.6 Å²	79.6	47%	0.466	44%	0.444	S	S	.	.	H	α-helix	trans	-65.9	-18.2	175.2	-69.6	168.8	0	0	0	113.5	A261	A261-L265 VanDerWaalsContact O-CG 3.3Å; A261-L265 WeakPolarHBondContact O-CG 2.89Å; A261-L265 PolarHBondContact O-N 3.04Å
266	A	48.3	Very low	54.2	Low	38 Å²	38	81.7 Å²	81.7	31%	0.314	46%	0.462	S	S	.	.	H	α-helix	trans	-82	-22.1	173.9	0	0	0	0	0	112.8	S263 A264	S263-A266 PolarHBondContact O-N 2.79Å; A264-A266 PolarHBondContact O-N 3.47Å
267	D	43.6	Very low	52.1	Low	143 Å²	143	83.9 Å²	83.9	77%	0.765	48%	0.48	S	S	*	.	H	α-helix	trans	-97	-28.1	179.8	-79.2	-27.6	0	0	0	112.5	A264 K269	A264-D267 PolarHBondContact O-N 3.46Å; A264-D267 VanDerWaalsContact O-N 3.09Å; D267-K269 PolarHBondContact O-N 3.48Å
268	E	42.6	Very low	50.2	Low	137 Å²	137	87.4 Å²	87.4	64%	0.64	52%	0.517	S	S	*	.			trans	-78.4	105.4	174.2	-71.7	-161.4	163.8	0	0	111.1	A264 D270	A264-E268 PolarHBondContact O-N 2.88Å; E268-D270 PolarHBondContact O-N 3.46Å
269	K	43	Very low	49	Very low	207 Å²	207	93.2 Å²	93.2	90%	0.9	55%	0.546	S	S	*	.	S	Bend	trans	-58.7	1.4	177.1	-76.1	-178.8	172.7	178	0	116.1	D267	D267-K269 PolarHBondContact O-N 3.48Å
270	D	37.1	Very low	48.7	Very low	131 Å²	131	95 Å²	95	70%	0.701	55%	0.551	S	S	*	*			trans	-130.5	74.2	-170.9	-74.6	-37	0	0	0	111.7	E268	E268-D270 PolarHBondContact O-N 3.46Å
271	S	36.2	Very low	49	Very low	55 Å²	55	91.7 Å²	91.7	39%	0.385	53%	0.53	S	S	.	.			trans	-112.9	103.2	153.5	49.6	0	0	0	0	108.8	L273	S271-L273 PolarHBondContact O-N 2.9Å
272	F	41.9	Very low	49.5	Very low	198 Å²	198	93.3 Å²	93.3	87%	0.868	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	23	170.6	-81.8	-95.7	0	0	0	113.6
273	L	45.5	Very low	49.9	Very low	127 Å²	127	94 Å²	94	67%	0.665	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-9	-170.6	-66.2	173.4	0	0	0	113.3	S271	S271-L273 PolarHBondContact O-N 2.9Å
274	D	42.9	Very low	50.8	Low	74 Å²	74	93.5 Å²	93.5	40%	0.396	55%	0.545	S	S	.	.			trans	-138.4	112.9	170.9	-155	-21.1	0	0	0	112.3	A276 A277	D274-A276 PolarHBondContact O-N 2.85Å; D274-A276 VanDerWaalsContact O-N 3.13Å; D274-A276 WeakPolarHBondContact OD1-CB 3.37Å; D274-A276 PolarHBondContact OD1-N 3.34Å; D274-A277 HydrophobicContact CB-CB 4.08Å; D274-A277 PolarHBondContact O-N 3.49Å
275	P	40.7	Very low	51.9	Low	132 Å²	132	93.6 Å²	93.6	86%	0.857	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.5	170.5	-20.4	31.6	0	0	0	113.5
276	A	45.9	Very low	53	Low	45 Å²	45	98 Å²	98	37%	0.372	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.2	177.5	0	0	0	0	0	113.7	D274 G278 L279	D274-A276 PolarHBondContact O-N 2.85Å; D274-A276 VanDerWaalsContact O-N 3.13Å; D274-A276 WeakPolarHBondContact OD1-CB 3.37Å; D274-A276 PolarHBondContact OD1-N 3.34Å; A276-G278 PolarHBondContact O-N 3.26Å; A276-G278 VanDerWaalsContact O-N 3.1Å; A276-L279 WeakPolarHBondContact O-CB 3.14Å; A276-L279 PolarHBondContact O-N 3.36Å
277	A	46.7	Very low	54.2	Low	46 Å²	46	97.5 Å²	97.5	38%	0.38	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.8	-179	0	0	0	0	0	113.5	D274 L279	D274-A277 HydrophobicContact CB-CB 4.08Å; D274-A277 PolarHBondContact O-N 3.49Å; A277-L279 VanDerWaalsContact C-N 3.3Å
278	G	45.9	Very low	55.7	Low	80 Å²	80	92 Å²	92	83%	0.825	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-9	172.2	0	0	0	0	0	114.9	A276	A276-G278 PolarHBondContact O-N 3.26Å; A276-G278 VanDerWaalsContact O-N 3.1Å
279	L	53.7	Low	57.1	Low	162 Å²	162	87.2 Å²	87.2	85%	0.848	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-17.2	-177	-158.5	72.3	0	0	0	113.2	A276 A277	A276-L279 WeakPolarHBondContact O-CB 3.14Å; A276-L279 PolarHBondContact O-N 3.36Å; A277-L279 VanDerWaalsContact C-N 3.3Å
280	E	62.8	Low	58.9	Low	69 Å²	69	78 Å²	78	32%	0.322	45%	0.452	S	S	.	.	S	Bend	trans	-74.9	141.7	-177.9	-68	-175.1	-169.8	0	0	112.4	E284 Q285	E280-E284 HydrophobicContact CB-CB 4.48Å; E280-E284 HydrophobicContact CB-CG 4.35Å; E280-E284 HydrophobicContact CG-CG 4.39Å; E280-Q285 PolarHBondContact OE2-OE1 3.45Å
281	S	70.1	Confident	60.8	Low	41 Å²	41	74.3 Å²	74.3	29%	0.287	44%	0.435	S	S	.	.			trans	-73.6	151.7	176.3	92.3	0	0	0	0	110.8	A283 E284 Q285 V427	S281-A283 PolarHBondContact O-N 3.24Å; S281-A283 PolarHBondContact OG-N 2.97Å; S281-E284 PolarHBondContact N-OE2 3.04Å; S281-E284 WeakPolarHBondContact O-CA 3.43Å; S281-E284 WeakPolarHBondContact O-CB 3.37Å; S281-E284 PolarHBondContact O-N 2.93Å; S281-E284 PolarHBondContact OG-N 2.93Å; S281-E284 VanDerWaalsContact OG-N 3.08Å; S281-Q285 PolarHBondContact O-N 3.25Å; S281-V427 PolarHBondContact OG-O 2.97Å
282	A	71.6	Confident	62.8	Low	74 Å²	74	71.8 Å²	71.8	61%	0.612	42%	0.418	S	S	*	.	H	α-helix	trans	-61.7	-14.5	173.8	0	0	0	0	0	113.7	R286	A282-R286 WeakPolarHBondContact O-CG 3.43Å; A282-R286 PolarHBondContact O-NE 3.16Å
283	A	70.6	Confident	64.4	Low	30 Å²	30	66.8 Å²	66.8	25%	0.248	41%	0.407	C	S	.	.	H	α-helix	trans	-82.4	-39	171.3	0	0	0	0	0	111.4	S281 R286 V287 V427 A428	S281-A283 PolarHBondContact O-N 3.24Å; S281-A283 PolarHBondContact OG-N 2.97Å; A283-R286 PolarHBondContact O-N 3.14Å; A283-V287 WeakPolarHBondContact O-CG2 3.29Å; A283-V287 PolarHBondContact O-N 3.36Å; A283-V427 HydrophobicContact CB-CG1 4.3Å; A283-A428 HydrophobicContact CB-CB 4.43Å
284	E	76.4	Confident	66	Low	32 Å²	32	64.3 Å²	64.3	15%	0.15	39%	0.394	C	S	.	.	H	α-helix	trans	-63	-51.4	175.2	-173.9	166.3	-155.2	0	0	111	E280 S281 R286 V287 H288 N429	E280-E284 HydrophobicContact CB-CB 4.48Å; E280-E284 HydrophobicContact CB-CG 4.35Å; E280-E284 HydrophobicContact CG-CG 4.39Å; S281-E284 PolarHBondContact N-OE2 3.04Å; S281-E284 WeakPolarHBondContact O-CA 3.43Å; S281-E284 WeakPolarHBondContact O-CB 3.37Å; S281-E284 PolarHBondContact O-N 2.93Å; S281-E284 PolarHBondContact OG-N 2.93Å; S281-E284 VanDerWaalsContact OG-N 3.08Å; E284-R286 VanDerWaalsContact C-N 3.25Å; E284-R286 PolarHBondContact O-N 3.13Å; E284-R286 VanDerWaalsContact O-N 3.17Å; E284-V287 PolarHBondContact O-N 3.41Å; E284-H288 VanDerWaalsContact CG-CD2 3.41Å; E284-H288 WeakPolarHBondContact CG-CD2 3.38Å; E284-H288 PolarHBondContact O-CD2 3.18Å; E284-H288 VanDerWaalsContact O-CD2 3.23Å; E284-H288 PolarHBondContact O-N 2.82Å; E284-N429 HydrophobicContact CG-CB 4.01Å; E284-N429 WeakPolarHBondContact OE1-CB 3.5Å; E284-N429 PolarHBondContact OE1-ND2 3.49Å
285	Q	73.7	Confident	68.1	Low	56 Å²	56	61 Å²	61	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-55.8	-38.9	177.5	-174.1	64.7	33.1	0	0	112.7	E280 S281 V287 S289	E280-Q285 PolarHBondContact OE2-OE1 3.45Å; S281-Q285 PolarHBondContact O-N 3.25Å; Q285-V287 VanDerWaalsContact C-N 3.29Å; Q285-V287 PolarHBondContact O-N 3.35Å; Q285-S289 PolarHBondContact NE2-OG 3.08Å; Q285-S289 WeakPolarHBondContact O-CA 3.5Å; Q285-S289 WeakPolarHBondContact O-CB 3.32Å; Q285-S289 PolarHBondContact O-N 3.37Å
286	R	73.1	Confident	70.3	Confident	182 Å²	182	54.9 Å²	54.9	69%	0.687	34%	0.337	S	S	*	.	H	α-helix	trans	-69.3	-25.5	179.1	-83	-173.5	-74.9	172.2	-4	113.5	A282 A283 E284	A282-R286 WeakPolarHBondContact O-CG 3.43Å; A282-R286 PolarHBondContact O-NE 3.16Å; A283-R286 PolarHBondContact O-N 3.14Å; E284-R286 VanDerWaalsContact C-N 3.25Å; E284-R286 PolarHBondContact O-N 3.13Å; E284-R286 VanDerWaalsContact O-N 3.17Å
287	V	73.9	Confident	72.4	Confident	27 Å²	27	53 Å²	53	16%	0.164	32%	0.321	C	S	.	.	H	α-helix	trans	-91.3	-37.1	-178.8	172.8	0	0	0	0	111.7	F78 A283 E284 Q285 P290 A428 R430	F78-V287 HydrophobicContact CZ-CG1 4.12Å; A283-V287 WeakPolarHBondContact O-CG2 3.29Å; A283-V287 PolarHBondContact O-N 3.36Å; E284-V287 PolarHBondContact O-N 3.41Å; Q285-V287 VanDerWaalsContact C-N 3.29Å; Q285-V287 PolarHBondContact O-N 3.35Å; V287-P290 WeakPolarHBondContact O-CD 3.42Å; V287-A428 HydrophobicContact CG2-CB 4.21Å; V287-R430 HydrophobicContact CG1-CB 3.86Å; V287-R430 HydrophobicContact CG1-CG 4.44Å
288	H	74.4	Confident	74.6	Confident	26 Å²	26	50.9 Å²	50.9	12%	0.12	30%	0.303	C	S	.	.	H	α-helix	trans	-80.9	-29.9	177.1	-70.4	-76.4	0	0	0	112.8	F78 E284 P290	F78-H288 AromaticContact CD1-CE1 3.54Å; F78-H288 AromaticContact CD1-ND1 3.89Å; F78-H288 AromaticContact CD2-CE1 3.82Å; F78-H288 AromaticContact CD2-ND1 3.29Å; F78-H288 VanDerWaalsContact CD2-ND1 3.29Å; F78-H288 WeakPolarHBondContact CD2-ND1 3.42Å; F78-H288 AromaticContact CE1-CE1 3.98Å; F78-H288 AromaticContact CE2-ND1 3.65Å; F78-H288 AromaticContact CG-CE1 3.46Å; F78-H288 VanDerWaalsContact CG-CE1 3.46Å; F78-H288 WeakPolarHBondContact CG-CE1 3.27Å; F78-H288 AromaticContact CG-ND1 3.42Å; F78-H288 WeakPolarHBondContact CG-ND1 3.15Å; E284-H288 VanDerWaalsContact CG-CD2 3.41Å; E284-H288 WeakPolarHBondContact CG-CD2 3.38Å; E284-H288 PolarHBondContact O-CD2 3.18Å; E284-H288 VanDerWaalsContact O-CD2 3.23Å; E284-H288 PolarHBondContact O-N 2.82Å; H288-P290 WeakPolarHBondContact O-CD 3.29Å
289	S	73.4	Confident	76.8	Confident	37 Å²	37	47.1 Å²	47.1	26%	0.259	26%	0.264	S	S	.	.	S	Bend	trans	-121.7	60.1	176.5	-68.4	0	0	0	0	113.2	Q285	Q285-S289 PolarHBondContact NE2-OG 3.08Å; Q285-S289 WeakPolarHBondContact O-CA 3.5Å; Q285-S289 WeakPolarHBondContact O-CB 3.32Å; Q285-S289 PolarHBondContact O-N 3.37Å
290	P	79.6	Confident	78.5	Confident	13 Å²	13	40.3 Å²	40.3	8%	0.084	23%	0.228	C	C	.	.			trans	-65.8	155.9	174.3	29.9	-35.6	0	0	0	111	L234 V287 H288 A292 V295 R297	L234-P290 HydrophobicContact CD1-CG 4.06Å; V287-P290 WeakPolarHBondContact O-CD 3.42Å; H288-P290 WeakPolarHBondContact O-CD 3.29Å; P290-A292 PolarHBondContact O-N 3.32Å; P290-V295 HydrophobicContact CB-CB 4.01Å; P290-V295 HydrophobicContact CB-CG2 3.83Å; P290-V295 HydrophobicContact CG-CB 3.56Å; P290-V295 HydrophobicContact CG-CG1 4.02Å; P290-V295 HydrophobicContact CG-CG2 3.8Å; P290-R297 PolarHBondContact O-NH2 3.39Å
291	P	77.9	Confident	79.8	Confident	54 Å²	54	37.5 Å²	37.5	35%	0.351	22%	0.215	S	C	.	.			trans	-56.1	132	173.4	-24.7	33.7	0	0	0	111.2	S293 L294 V295	P291-S293 PolarHBondContact O-N 3.25Å; P291-L294 HydrophobicContact CB-CD1 4.47Å; P291-L294 HydrophobicContact CG-CD1 4.27Å; P291-L294 PolarHBondContact O-N 2.83Å; P291-V295 PolarHBondContact O-N 2.87Å
292	A	77.8	Confident	80.7	Confident	3 Å²	3	36.6 Å²	36.6	3%	0.025	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.3	-178.1	0	0	0	0	0	113.3	L59 V258 P290 L294	L59-A292 WeakPolarHBondContact CD2-O 3.3Å; V258-A292 HydrophobicContact CG1-CB 4.25Å; P290-A292 PolarHBondContact O-N 3.32Å; A292-L294 VanDerWaalsContact C-N 3.32Å
293	S	75.7	Confident	81.6	Confident	92 Å²	92	34 Å²	34	64%	0.643	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-23	172.7	58.9	0	0	0	0	113.9	P291	P291-S293 PolarHBondContact O-N 3.25Å
294	L	80	Confident	82.4	Confident	75 Å²	75	35.3 Å²	35.3	39%	0.393	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-45.5	-180	-68.2	172.5	0	0	0	111.1	L219 P291 A292	L219-L294 HydrophobicContact CD1-CD1 3.4Å; L219-L294 VanDerWaalsContact CD1-CD1 3.4Å; P291-L294 HydrophobicContact CB-CD1 4.47Å; P291-L294 HydrophobicContact CG-CD1 4.27Å; P291-L294 PolarHBondContact O-N 2.83Å; A292-L294 VanDerWaalsContact C-N 3.32Å
295	V	85.1	Confident	83	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.024	21%	0.208	C	C	.	.	S	Bend	trans	-128.3	93.8	-179.4	-171.8	0	0	0	0	107.9	Y129 L221 L234 P290 P291	Y129-V295 HydrophobicContact CE2-CG1 4.14Å; L221-V295 HydrophobicContact CD2-CG2 4.07Å; L234-V295 HydrophobicContact CD1-CG1 4.47Å; L234-V295 HydrophobicContact CG-CG1 3.94Å; P290-V295 HydrophobicContact CB-CB 4.01Å; P290-V295 HydrophobicContact CB-CG2 3.83Å; P290-V295 HydrophobicContact CG-CB 3.56Å; P290-V295 HydrophobicContact CG-CG1 4.02Å; P290-V295 HydrophobicContact CG-CG2 3.8Å; P291-V295 PolarHBondContact O-N 2.87Å
296	P	88.1	Confident	83.6	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.026	20%	0.199	C	C	.	.			trans	-61	158.6	174	24.5	-36	0	0	0	112	L54 L59 S232 C233 L234 L256 V258	L54-P296 HydrophobicContact CD1-CG 4.39Å; L54-P296 HydrophobicContact CD2-CG 4.15Å; L59-P296 HydrophobicContact CD1-CB 3.88Å; L59-P296 HydrophobicContact CD1-CG 4.1Å; L59-P296 HydrophobicContact CD2-CB 4.3Å; L59-P296 HydrophobicContact CD2-CG 4.4Å; S232-P296 VanDerWaalsContact O-CD 3.32Å; S232-P296 WeakPolarHBondContact O-CD 3.2Å; C233-P296 WeakPolarHBondContact CA-O 3.43Å; C233-P296 HydrophobicContact CB-CG 4.49Å; C233-P296 PolarHBondContact SG-O 3.36Å; L234-P296 PolarHBondContact N-O 3.14Å; L256-P296 HydrophobicContact CD1-CB 3.77Å; V258-P296 HydrophobicContact CG2-CB 4.46Å
297	R	90.1	Very high	84	Confident	7 Å²	7	35.9 Å²	35.9	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.7	174.6	-63.8	177.1	-179.7	93.3	-5.3	109.2	D106 L234 S257 P290	D106-R297 WeakPolarHBondContact OD2-CB 3.35Å; D106-R297 WeakPolarHBondContact OD2-CD 3.39Å; L234-R297 HydrophobicContact CB-CG 4.15Å; L234-R297 HydrophobicContact CD1-CG 4.2Å; L234-R297 CarbonylContact O-C 3.54Å; L234-R297 WeakPolarHBondContact O-CA 3.32Å; S257-R297 PolarHBondContact N-O 3.02Å; S257-R297 PolarHBondContact O-N 2.71Å; P290-R297 PolarHBondContact O-NH2 3.39Å
298	L	91.9	Very high	84.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.2	175.5	-75.1	174.4	0	0	0	110	L54 V68 F70 C233 L234 V235 K236 V252 I255 L256	L54-L298 HydrophobicContact CD2-CD1 4.09Å; V68-L298 HydrophobicContact CG2-CD1 4.29Å; V68-L298 HydrophobicContact CG2-CD2 3.15Å; V68-L298 HydrophobicContact CG2-CG 4.35Å; F70-L298 HydrophobicContact CB-CD1 3.72Å; F70-L298 HydrophobicContact CD1-CD1 4.04Å; F70-L298 HydrophobicContact CG-CD1 4.2Å; C233-L298 WeakPolarHBondContact SG-CD1 3.31Å; C233-L298 WeakPolarHBondContact SG-CG 3.19Å; L234-L298 PolarHBondContact O-N 3.49Å; V235-L298 CarbonylContact C-O 3.37Å; V235-L298 WeakPolarHBondContact CA-O 3.41Å; V235-L298 HydrophobicContact CG2-CB 4.39Å; K236-L298 PolarHBondContact N-O 3.31Å; V252-L298 HydrophobicContact CG1-CD1 4.5Å; I255-L298 WeakPolarHBondContact O-CA 3.43Å; L256-L298 HydrophobicContact CB-CD2 4.1Å; L256-L298 HydrophobicContact CD1-CD2 4.13Å
299	H	91.9	Very high	85	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112.6	171	-64.9	-67.8	0	0	0	109.5	Y104 K105 D106 R125 Y238 G254 I255 L301	Y104-H299 HydrophobicContact CD1-CB 3.94Å; Y104-H299 HydrophobicContact CG-CB 4.44Å; Y104-H299 PolarHBondContact O-CD2 3.05Å; K105-H299 VanDerWaalsContact C-NE2 3.35Å; D106-H299 IonicContact OD1-CE1 2.78Å; D106-H299 PolarHBondContact OD1-CE1 3.26Å; D106-H299 VanDerWaalsContact OD1-CE1 3.26Å; D106-H299 IonicContact OD1-NE2 3.23Å; D106-H299 IonicContact OD2-CE1 3.03Å; D106-H299 IonicContact OD2-NE2 2.71Å; R125-H299 PolarHBondContact NH1-CE1 3.26Å; Y238-H299 HydrophobicContact CE2-CB 4.07Å; Y238-H299 AromaticContact CE2-ND1 3.83Å; Y238-H299 AromaticContact CZ-ND1 3.75Å; Y238-H299 PolarHBondContact OH-CE1 3.43Å; Y238-H299 PolarHBondContact OH-ND1 2.88Å; G254-H299 CarbonylContact C-O 3.58Å; G254-H299 WeakPolarHBondContact CA-O 3.43Å; I255-H299 HydrophobicContact CB-CB 4.39Å; I255-H299 PolarHBondContact N-O 2.92Å; I255-H299 PolarHBondContact O-N 3.48Å; H299-L301 PolarHBondContact O-N 2.79Å
300	L	91.3	Very high	85.7	Confident	19 Å²	19	33.7 Å²	33.7	10%	0.099	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.4	-172.8	179.8	68.5	0	0	0	111.1	Y104 V235 K236 V237 F244 V252 H302 A303	Y104-L300 VanDerWaalsContact CE1-O 3.3Å; Y104-L300 WeakPolarHBondContact CE1-O 3.5Å; V235-L300 HydrophobicContact CG1-CB 4.09Å; K236-L300 WeakPolarHBondContact O-CB 3.42Å; K236-L300 PolarHBondContact O-N 3.17Å; V237-L300 HydrophobicContact CB-CD2 4.22Å; V237-L300 HydrophobicContact CG1-CD2 3.89Å; V237-L300 HydrophobicContact CG2-CB 4.06Å; V237-L300 HydrophobicContact CG2-CD2 3.54Å; V237-L300 HydrophobicContact CG2-CG 4.41Å; F244-L300 HydrophobicContact CE2-CD2 3.85Å; F244-L300 HydrophobicContact CZ-CD2 4.09Å; V252-L300 HydrophobicContact CB-CD1 4.41Å; V252-L300 HydrophobicContact CG1-CD1 3.67Å; V252-L300 HydrophobicContact CG2-CD1 4.44Å; L300-H302 WeakPolarHBondContact CD1-O 3.36Å; L300-A303 HydrophobicContact CD1-CB 3.56Å; L300-A303 HydrophobicContact CD2-CB 4.08Å; L300-A303 HydrophobicContact CG-CB 4.44Å
301	L	88.9	Confident	85.8	Confident	10 Å²	10	34 Å²	34	5%	0.052	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-44.2	168.1	-69.1	170.1	0	0	0	111.3	F38 L67 Y104 F253 I255 H299	F38-L301 HydrophobicContact CD1-CD1 4.22Å; F38-L301 HydrophobicContact CD2-CD1 4.03Å; F38-L301 HydrophobicContact CD2-CD2 4.02Å; F38-L301 HydrophobicContact CD2-CG 4.48Å; F38-L301 HydrophobicContact CE1-CD1 4.23Å; F38-L301 HydrophobicContact CE2-CD1 4.06Å; F38-L301 HydrophobicContact CE2-CD2 4.09Å; F38-L301 HydrophobicContact CG-CD1 4.13Å; F38-L301 HydrophobicContact CZ-CD1 4.16Å; L67-L301 HydrophobicContact CD1-CD1 3.65Å; Y104-L301 HydrophobicContact CD1-CD2 3.79Å; Y104-L301 HydrophobicContact CD1-CG 4.48Å; Y104-L301 HydrophobicContact CD2-CD2 4.43Å; Y104-L301 HydrophobicContact CE1-CD2 3.52Å; Y104-L301 HydrophobicContact CE1-CG 4.4Å; Y104-L301 HydrophobicContact CE2-CD2 4.16Å; Y104-L301 HydrophobicContact CG-CD2 4.27Å; F253-L301 PolarHBondContact O-N 3.42Å; I255-L301 HydrophobicContact CD1-CD1 4.02Å; I255-L301 HydrophobicContact CD1-CD2 4.44Å; I255-L301 HydrophobicContact CD1-CG 4.45Å; I255-L301 HydrophobicContact CG1-CD1 3.65Å; I255-L301 HydrophobicContact CG1-CG 4.16Å; H299-L301 PolarHBondContact O-N 2.79Å
302	H	89.3	Confident	86	Confident	23 Å²	23	34.3 Å²	34.3	11%	0.106	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.9	-179.8	179.8	57.3	0	0	0	109.8	L42 F253 L300 E304	L42-H302 HydrophobicContact CD1-CB 4.04Å; F253-H302 WeakPolarHBondContact CA-O 3.37Å; F253-H302 HydrophobicContact CB-CB 4.46Å; F253-H302 AromaticContact CD2-CD2 3.96Å; F253-H302 PolarHBondContact N-O 2.88Å; F253-H302 PolarHBondContact O-N 2.74Å; F253-H302 VanDerWaalsContact O-N 3.16Å; L300-H302 WeakPolarHBondContact CD1-O 3.36Å; H302-E304 IonicContact CD2-OE1 3.37Å; H302-E304 IonicContact CE1-OE1 2.99Å; H302-E304 VanDerWaalsContact NE2-CG 3.26Å; H302-E304 WeakPolarHBondContact NE2-CG 3.5Å; H302-E304 IonicContact NE2-OE1 2.79Å; H302-E304 PolarHBondContact NE2-OE1 2.74Å
303	A	89.5	Confident	86.1	Confident	20 Å²	20	34.5 Å²	34.5	17%	0.165	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.8	174.2	0	0	0	0	0	110.8	F244 Q251 V252 L300	F244-A303 HydrophobicContact CE1-CB 3.83Å; F244-A303 HydrophobicContact CZ-CB 3.63Å; Q251-A303 WeakPolarHBondContact O-CA 3.38Å; V252-A303 HydrophobicContact CG2-CB 4.34Å; L300-A303 HydrophobicContact CD1-CB 3.56Å; L300-A303 HydrophobicContact CD2-CB 4.08Å; L300-A303 HydrophobicContact CG-CB 4.44Å
304	E	87.7	Confident	85.9	Confident	57 Å²	57	31.5 Å²	31.5	27%	0.266	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.5	177	-61.7	-176.2	172.5	0	0	109.4	L250 Q251 H302 L306	L250-E304 CarbonylContact C-O 3.56Å; L250-E304 WeakPolarHBondContact CA-O 3.37Å; Q251-E304 PolarHBondContact N-O 3.46Å; Q251-E304 PolarHBondContact O-N 3.31Å; H302-E304 IonicContact CD2-OE1 3.37Å; H302-E304 IonicContact CE1-OE1 2.99Å; H302-E304 VanDerWaalsContact NE2-CG 3.26Å; H302-E304 WeakPolarHBondContact NE2-CG 3.5Å; H302-E304 IonicContact NE2-OE1 2.79Å; H302-E304 PolarHBondContact NE2-OE1 2.74Å; E304-L306 PolarHBondContact O-N 3.27Å
305	R	89.2	Confident	85	Confident	161 Å²	161	30.3 Å²	30.3	61%	0.608	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.1	173.1	-171.3	177.9	-175	-167.6	3.5	109	D248 L250 V307	D248-R305 IonicContact OD1-CZ 3.79Å; D248-R305 IonicContact OD1-NE 3.75Å; D248-R305 PolarHBondContact OD1-NE 2.92Å; D248-R305 IonicContact OD1-NH2 3.32Å; D248-R305 PolarHBondContact OD1-NH2 3.36Å; D248-R305 IonicContact OD2-NE 2.81Å; L250-R305 HydrophobicContact CD2-CB 4.12Å; L250-R305 HydrophobicContact CD2-CG 4.24Å; R305-V307 PolarHBondContact O-N 2.94Å
306	L	86.1	Confident	83.8	Confident	13 Å²	13	32 Å²	32	7%	0.068	17%	0.17	C	C	.	.			trans	-78.1	119	179.9	-68.3	172.7	0	0	0	110	R71 I133 T249 Q251 E304	R71-L306 HydrophobicContact CG-CD1 3.67Å; I133-L306 HydrophobicContact CD1-CD1 4.49Å; T249-L306 PolarHBondContact O-N 3.02Å; T249-L306 PolarHBondContact OG1-O 3.09Å; Q251-L306 HydrophobicContact CB-CD1 4.25Å; Q251-L306 HydrophobicContact CB-CD2 3.99Å; Q251-L306 HydrophobicContact CB-CG 4.12Å; E304-L306 PolarHBondContact O-N 3.27Å
307	V	82.9	Confident	82.4	Confident	107 Å²	107	34.5 Å²	34.5	65%	0.648	19%	0.19	S	C	*	.	S	Bend	trans	-76.7	-32.2	173.9	-172.2	0	0	0	0	110.8	R305 L552	R305-V307 PolarHBondContact O-N 2.94Å; V307-L552 HydrophobicContact CG1-CD2 3.59Å
308	H	84.5	Confident	80.9	Confident	27 Å²	27	35.2 Å²	35.2	13%	0.125	19%	0.194	C	C	.	.			trans	-141.1	158	176.5	63.7	66.3	0	0	0	112	L313 P314 L552	H308-L313 WeakPolarHBondContact CE1-CB 3.48Å; H308-P314 PolarHBondContact CE1-O 3.25Å; H308-P314 PolarHBondContact NE2-O 3.01Å; H308-L552 HydrophobicContact CB-CD1 4.24Å
309	N	84.6	Confident	79.1	Confident	18 Å²	18	42 Å²	42	10%	0.096	23%	0.226	C	C	.	.			trans	-110	27.9	178.4	-163.7	38	0	0	0	113.3	R71 I133 Y144 P403 S404	R71-N309 PolarHBondContact NH1-OD1 3.29Å; I133-N309 VanDerWaalsContact CD1-OD1 3.32Å; I133-N309 WeakPolarHBondContact CD1-OD1 3.47Å; Y144-N309 VanDerWaalsContact OH-C 3.29Å; N309-P403 HydrophobicContact CB-CB 4.19Å; N309-P403 HydrophobicContact CB-CG 4.48Å; N309-P403 VanDerWaalsContact O-CB 3.25Å; N309-P403 WeakPolarHBondContact O-CB 3.46Å; N309-S404 PolarHBondContact ND2-OG 3.22Å
310	N	87.1	Confident	77.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.			trans	-98	118.2	179.3	-174.5	-9.9	0	0	0	111	Y144 L312 L313 R544 S548	Y144-N310 VanDerWaalsContact OH-C 3.3Å; Y144-N310 PolarHBondContact OH-N 3.12Å; Y144-N310 PolarHBondContact OH-O 3.49Å; N310-L312 PolarHBondContact O-N 2.63Å; N310-L312 WeakPolarHBondContact OD1-CB 3.4Å; N310-L312 PolarHBondContact OD1-N 2.95Å; N310-L313 HydrophobicContact CB-CD1 4.39Å; N310-L313 HydrophobicContact CB-CG 4.5Å; N310-L313 PolarHBondContact O-N 2.98Å; N310-R544 PolarHBondContact ND2-O 2.63Å; N310-S548 PolarHBondContact ND2-OG 3.41Å
311	P	83.1	Confident	76.3	Confident	20 Å²	20	48.7 Å²	48.7	13%	0.13	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.2	179.6	27.3	-34.9	0	0	0	114.1	W139 Y144 L313	W139-P311 HydrophobicContact CE3-CG 4.37Å; W139-P311 HydrophobicContact CZ3-CG 3.86Å; Y144-P311 HydrophobicContact CD1-CB 3.99Å; Y144-P311 HydrophobicContact CD2-CB 3.74Å; Y144-P311 HydrophobicContact CD2-CG 4.1Å; Y144-P311 HydrophobicContact CE1-CB 3.97Å; Y144-P311 HydrophobicContact CE2-CB 3.7Å; Y144-P311 HydrophobicContact CE2-CG 4.01Å; Y144-P311 HydrophobicContact CG-CB 3.89Å; P311-L313 VanDerWaalsContact C-N 3.25Å; P311-L313 PolarHBondContact O-N 3.08Å
312	L	81.9	Confident	75.3	Confident	60 Å²	60	52 Å²	52	31%	0.314	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.6	-179.6	-56.8	174.8	0	0	0	112.9	W139 N310 N541 R544 V545	W139-L312 HydrophobicContact CZ3-CD1 4.33Å; W139-L312 HydrophobicContact CZ3-CG 4.44Å; N310-L312 PolarHBondContact O-N 2.63Å; N310-L312 WeakPolarHBondContact OD1-CB 3.4Å; N310-L312 PolarHBondContact OD1-N 2.95Å; L312-N541 HydrophobicContact CD1-CB 3.73Å; L312-R544 HydrophobicContact CD1-CB 3.96Å; L312-V545 HydrophobicContact CB-CG2 3.69Å; L312-V545 HydrophobicContact CD1-CG2 3.99Å
313	L	80.1	Confident	74.7	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	31%	0.312	C	S	.	.	S	Bend	trans	-106.2	144.8	178.8	-70.7	-179.7	0	0	0	110.4	H308 N310 P311 N315 F324 V545 V549 L552	H308-L313 WeakPolarHBondContact CE1-CB 3.48Å; N310-L313 HydrophobicContact CB-CD1 4.39Å; N310-L313 HydrophobicContact CB-CG 4.5Å; N310-L313 PolarHBondContact O-N 2.98Å; P311-L313 VanDerWaalsContact C-N 3.25Å; P311-L313 PolarHBondContact O-N 3.08Å; L313-N315 PolarHBondContact O-N 3.02Å; L313-F324 HydrophobicContact CD2-CE1 3.42Å; L313-F324 VanDerWaalsContact CD2-CE1 3.42Å; L313-F324 HydrophobicContact CD2-CZ 3.6Å; L313-V545 HydrophobicContact CD2-CG1 4.15Å; L313-V549 HydrophobicContact CD1-CG2 4.35Å; L313-V549 HydrophobicContact CD2-CG2 3.78Å; L313-L552 HydrophobicContact CD1-CD1 4.38Å
314	P	70.3	Confident	74.1	Confident	28 Å²	28	57.2 Å²	57.2	18%	0.182	32%	0.32	C	S	.	.			trans	-60	134.2	169	-17.8	30.5	0	0	0	110.3	H308 A316 N321	H308-P314 PolarHBondContact CE1-O 3.25Å; H308-P314 PolarHBondContact NE2-O 3.01Å; P314-A316 PolarHBondContact O-N 2.82Å; P314-N321 WeakPolarHBondContact CB-ND2 3.48Å
315	N	62.1	Low	73.7	Confident	50 Å²	50	55.8 Å²	55.8	27%	0.267	31%	0.314	S	S	.	.	S	Bend	trans	-65.7	-17.3	175.9	-69.9	-11	0	0	0	113.5	Q251 L313	Q251-N315 PolarHBondContact OE1-ND2 3.13Å; L313-N315 PolarHBondContact O-N 3.02Å
316	A	60.2	Low	73.2	Confident	41 Å²	41	51.9 Å²	51.9	34%	0.339	31%	0.311	S	S	.	.	S	Bend	trans	-68.6	153.6	173.7	0	0	0	0	0	111.1	P314 L318	P314-A316 PolarHBondContact O-N 2.82Å; A316-L318 PolarHBondContact O-N 3.01Å
317	A	58.4	Low	73.1	Confident	56 Å²	56	54.7 Å²	54.7	46%	0.463	33%	0.332	S	S	.	.			trans	-51.2	132.9	177.2	0	0	0	0	0	109.7	Q319 D320	A317-Q319 PolarHBondContact O-N 2.73Å; A317-D320 WeakPolarHBondContact O-CB 3.35Å; A317-D320 PolarHBondContact O-N 3.37Å
318	L	57.8	Low	73	Confident	21 Å²	21	50.5 Å²	50.5	11%	0.11	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-54.4	-28.2	-177	-75.4	176.2	0	0	0	112.7	A316 D320 N321 L325 L552	A316-L318 PolarHBondContact O-N 3.01Å; L318-D320 PolarHBondContact O-N 2.88Å; L318-N321 CarbonylContact O-C 3.6Å; L318-N321 PolarHBondContact O-N 2.95Å; L318-N321 VanDerWaalsContact O-N 3.09Å; L318-L325 HydrophobicContact CB-CD1 3.95Å; L318-L325 HydrophobicContact CB-CD2 3.94Å; L318-L325 HydrophobicContact CB-CG 4.17Å; L318-L325 HydrophobicContact CD1-CD2 4.08Å; L318-L325 HydrophobicContact CD2-CD2 3.96Å; L318-L325 HydrophobicContact CG-CD2 4.24Å; L318-L325 WeakPolarHBondContact O-CD1 3.28Å; L318-L325 WeakPolarHBondContact O-CG 3.35Å; L318-L552 HydrophobicContact CD1-CB 3.36Å; L318-L552 HydrophobicContact CD1-CD1 3.56Å; L318-L552 HydrophobicContact CD1-CG 4.1Å; L318-L552 HydrophobicContact CG-CD1 4.21Å
319	Q	53.7	Low	72.9	Confident	142 Å²	142	51.8 Å²	51.8	66%	0.664	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-58.4	-30.7	175.6	-64.7	-179.8	2.9	0	0	113.1	A317 N321 D554	A317-Q319 PolarHBondContact O-N 2.73Å; Q319-N321 VanDerWaalsContact C-N 3.28Å; Q319-N321 PolarHBondContact O-N 2.9Å; Q319-D554 PolarHBondContact NE2-OD2 2.92Å
320	D	58.1	Low	72.8	Confident	120 Å²	120	54 Å²	54	64%	0.642	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-74.8	-19.1	179.1	-61.2	-31.8	0	0	0	112.4	A317 L318	A317-D320 WeakPolarHBondContact O-CB 3.35Å; A317-D320 PolarHBondContact O-N 3.37Å; L318-D320 PolarHBondContact O-N 2.88Å
321	N	66.5	Low	72.7	Confident	42 Å²	42	58.6 Å²	58.6	23%	0.225	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-114.8	53.6	-179.1	-62.6	-67.9	0	0	0	111.7	P314 L318 Q319 A323 F324 L325	P314-N321 WeakPolarHBondContact CB-ND2 3.48Å; L318-N321 CarbonylContact O-C 3.6Å; L318-N321 PolarHBondContact O-N 2.95Å; L318-N321 VanDerWaalsContact O-N 3.09Å; Q319-N321 VanDerWaalsContact C-N 3.28Å; Q319-N321 PolarHBondContact O-N 2.9Å; N321-A323 PolarHBondContact O-N 3.33Å; N321-A323 VanDerWaalsContact O-N 3.12Å; N321-F324 HydrophobicContact CB-CB 4.15Å; N321-F324 WeakPolarHBondContact O-CB 3.46Å; N321-F324 PolarHBondContact O-N 2.85Å; N321-L325 PolarHBondContact O-N 3.43Å; N321-L325 VanDerWaalsContact O-N 3.07Å
322	S	68.8	Low	72.8	Confident	79 Å²	79	57.8 Å²	57.8	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-53.6	-32.7	-177.4	62.4	0	0	0	0	114.6	S326	S322-S326 WeakPolarHBondContact O-CB 3.47Å; S322-S326 PolarHBondContact O-N 2.76Å; S322-S326 PolarHBondContact O-OG 2.87Å
323	A	75.9	Confident	73.1	Confident	80 Å²	80	57.7 Å²	57.7	66%	0.661	37%	0.367	S	S	*	.	H	α-helix	trans	-67.4	-42.9	176.3	0	0	0	0	0	112.6	N321 S326 S327	N321-A323 PolarHBondContact O-N 3.33Å; N321-A323 VanDerWaalsContact O-N 3.12Å; A323-S326 PolarHBondContact O-N 3.42Å; A323-S327 PolarHBondContact O-N 3.42Å; A323-S327 VanDerWaalsContact O-N 3.15Å
324	F	77.4	Confident	73.6	Confident	73 Å²	73	60.2 Å²	60.2	32%	0.32	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-45.2	175.5	175.7	-93	0	0	0	110.6	L313 N321 S326 S327 A328 V545 V549	L313-F324 HydrophobicContact CD2-CE1 3.42Å; L313-F324 VanDerWaalsContact CD2-CE1 3.42Å; L313-F324 HydrophobicContact CD2-CZ 3.6Å; N321-F324 HydrophobicContact CB-CB 4.15Å; N321-F324 WeakPolarHBondContact O-CB 3.46Å; N321-F324 PolarHBondContact O-N 2.85Å; F324-S326 PolarHBondContact O-N 3.2Å; F324-S327 PolarHBondContact O-N 3Å; F324-A328 WeakPolarHBondContact O-CB 3.49Å; F324-A328 PolarHBondContact O-N 3.47Å; F324-V545 HydrophobicContact CE1-CG1 4.46Å; F324-V545 HydrophobicContact CZ-CG1 3.86Å; F324-V549 HydrophobicContact CE1-CG2 4.23Å
325	L	78.4	Confident	74.5	Confident	27 Å²	27	59.3 Å²	59.3	14%	0.141	38%	0.383	C	S	.	.	H	α-helix	trans	-58.5	-46.1	176.5	-79.6	-174.8	0	0	0	112.6	L318 N321 S327 A328 L329 V549	L318-L325 HydrophobicContact CB-CD1 3.95Å; L318-L325 HydrophobicContact CB-CD2 3.94Å; L318-L325 HydrophobicContact CB-CG 4.17Å; L318-L325 HydrophobicContact CD1-CD2 4.08Å; L318-L325 HydrophobicContact CD2-CD2 3.96Å; L318-L325 HydrophobicContact CG-CD2 4.24Å; L318-L325 WeakPolarHBondContact O-CD1 3.28Å; L318-L325 WeakPolarHBondContact O-CG 3.35Å; N321-L325 PolarHBondContact O-N 3.43Å; N321-L325 VanDerWaalsContact O-N 3.07Å; L325-S327 VanDerWaalsContact C-N 3.33Å; L325-S327 PolarHBondContact O-N 2.94Å; L325-A328 PolarHBondContact O-N 2.92Å; L325-L329 VanDerWaalsContact O-CB 3.3Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 WeakPolarHBondContact O-CD1 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.28Å; L325-L329 PolarHBondContact O-N 3.23Å; L325-V549 HydrophobicContact CD2-CG1 4.06Å
326	S	80.1	Confident	75.9	Confident	79 Å²	79	57.9 Å²	57.9	55%	0.552	37%	0.373	S	S	*	.	H	α-helix	trans	-63.3	-41	-179.1	-58.7	0	0	0	0	111.8	S322 A323 F324 G330	S322-S326 WeakPolarHBondContact O-CB 3.47Å; S322-S326 PolarHBondContact O-N 2.76Å; S322-S326 PolarHBondContact O-OG 2.87Å; A323-S326 PolarHBondContact O-N 3.42Å; F324-S326 PolarHBondContact O-N 3.2Å; S326-G330 PolarHBondContact O-N 3.41Å; S326-G330 VanDerWaalsContact O-N 3.14Å
327	S	83.5	Confident	77.4	Confident	72 Å²	72	58.8 Å²	58.8	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-64.8	-46.8	174.4	-168.6	0	0	0	0	111.7	A323 F324 L325 L329 G330 E331	A323-S327 PolarHBondContact O-N 3.42Å; A323-S327 VanDerWaalsContact O-N 3.15Å; F324-S327 PolarHBondContact O-N 3Å; L325-S327 VanDerWaalsContact C-N 3.33Å; L325-S327 PolarHBondContact O-N 2.94Å; S327-L329 PolarHBondContact O-N 2.95Å; S327-G330 PolarHBondContact O-N 3.29Å; S327-E331 PolarHBondContact O-N 2.86Å
328	A	80.6	Confident	78.9	Confident	18 Å²	18	60.3 Å²	60.3	15%	0.149	38%	0.379	C	S	.	.	H	α-helix	trans	-60.4	-47.6	179.2	0	0	0	0	0	111	F324 L325 G330 E331 M332	F324-A328 WeakPolarHBondContact O-CB 3.49Å; F324-A328 PolarHBondContact O-N 3.47Å; L325-A328 PolarHBondContact O-N 2.92Å; A328-G330 VanDerWaalsContact C-N 3.32Å; A328-G330 PolarHBondContact O-N 3.17Å; A328-E331 PolarHBondContact O-N 3.36Å; A328-E331 VanDerWaalsContact O-N 3.12Å; A328-M332 VanDerWaalsContact O-CG 3.23Å; A328-M332 WeakPolarHBondContact O-CG 3.34Å; A328-M332 PolarHBondContact O-N 2.91Å; A328-M332 VanDerWaalsContact O-N 3.07Å
329	L	82.3	Confident	80.4	Confident	54 Å²	54	59.3 Å²	59.3	28%	0.283	37%	0.373	S	S	.	.	H	α-helix	trans	-57.2	-40.6	177.6	-76	164.1	0	0	0	112.5	L325 S327 E331 M332 L553 G600	L325-L329 VanDerWaalsContact O-CB 3.3Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 WeakPolarHBondContact O-CD1 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.28Å; L325-L329 PolarHBondContact O-N 3.23Å; S327-L329 PolarHBondContact O-N 2.95Å; L329-E331 VanDerWaalsContact C-N 3.29Å; L329-E331 PolarHBondContact O-N 2.81Å; L329-M332 HydrophobicContact CD2-SD 3.73Å; L329-M332 HydrophobicContact CG-SD 4.49Å; L329-M332 PolarHBondContact O-N 2.84Å; L329-L553 HydrophobicContact CD2-CD1 4.1Å; L329-L553 HydrophobicContact CD2-CD2 4.22Å; L329-G600 WeakPolarHBondContact CD2-O 3.18Å
330	G	82.4	Confident	82.2	Confident	65 Å²	65	53.9 Å²	53.9	67%	0.67	35%	0.349	S	S	*	.	H	α-helix	trans	-63.7	-32.5	177.3	0	0	0	0	0	113.7	S326 S327 A328	S326-G330 PolarHBondContact O-N 3.41Å; S326-G330 VanDerWaalsContact O-N 3.14Å; S327-G330 PolarHBondContact O-N 3.29Å; A328-G330 VanDerWaalsContact C-N 3.32Å; A328-G330 PolarHBondContact O-N 3.17Å
331	E	85.6	Confident	83.7	Confident	97 Å²	97	51.1 Å²	51.1	45%	0.453	34%	0.339	S	S	.	.	H	α-helix	trans	-89.5	-15.1	179.9	-66	-176	-167.3	0	0	113.4	S327 A328 L329 A333 A334 V335	S327-E331 PolarHBondContact O-N 2.86Å; A328-E331 PolarHBondContact O-N 3.36Å; A328-E331 VanDerWaalsContact O-N 3.12Å; L329-E331 VanDerWaalsContact C-N 3.29Å; L329-E331 PolarHBondContact O-N 2.81Å; E331-A333 VanDerWaalsContact C-N 3.32Å; E331-A333 PolarHBondContact O-N 2.92Å; E331-A334 PolarHBondContact O-N 2.87Å; E331-A334 VanDerWaalsContact O-N 3.14Å; E331-V335 HydrophobicContact CB-CG2 4.34Å; E331-V335 WeakPolarHBondContact O-CG2 3.49Å; E331-V335 PolarHBondContact O-N 2.97Å
332	M	85.9	Confident	84.7	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-53.7	-42.8	-172.8	-77.6	-169.3	72.7	0	0	113.7	A328 L329 V335 R336 F546 A550 L553 L597 G600	A328-M332 VanDerWaalsContact O-CG 3.23Å; A328-M332 WeakPolarHBondContact O-CG 3.34Å; A328-M332 PolarHBondContact O-N 2.91Å; A328-M332 VanDerWaalsContact O-N 3.07Å; L329-M332 HydrophobicContact CD2-SD 3.73Å; L329-M332 HydrophobicContact CG-SD 4.49Å; L329-M332 PolarHBondContact O-N 2.84Å; M332-V335 PolarHBondContact O-N 3.36Å; M332-R336 VanDerWaalsContact O-CB 3.27Å; M332-R336 WeakPolarHBondContact O-CB 3.48Å; M332-R336 PolarHBondContact O-N 3.19Å; M332-F546 HydrophobicContact CB-CD2 4.03Å; M332-F546 HydrophobicContact CB-CE2 3.81Å; M332-F546 HydrophobicContact CE-CD2 3.82Å; M332-F546 HydrophobicContact CE-CE2 3.44Å; M332-F546 VanDerWaalsContact CE-CE2 3.44Å; M332-F546 HydrophobicContact CE-CZ 4.13Å; M332-F546 HydrophobicContact CG-CD2 3.83Å; M332-F546 HydrophobicContact CG-CE2 3.97Å; M332-F546 WeakPolarHBondContact O-CE2 3.38Å; M332-A550 HydrophobicContact CE-CB 3.64Å; M332-L553 HydrophobicContact CE-CD1 4.38Å; M332-L553 HydrophobicContact SD-CD1 4.29Å; M332-L597 VanDerWaalsContact CE-O 3.28Å; M332-L597 WeakPolarHBondContact CE-O 3.47Å; M332-G600 VanDerWaalsContact SD-CA 3.56Å
333	A	87.4	Confident	85.7	Confident	57 Å²	57	47.8 Å²	47.8	47%	0.471	31%	0.311	S	S	.	.	H	α-helix	trans	-66.4	-39.8	-177.7	0	0	0	0	0	112.7	E331 A337	E331-A333 VanDerWaalsContact C-N 3.32Å; E331-A333 PolarHBondContact O-N 2.92Å; A333-A337 PolarHBondContact O-N 2.87Å
334	A	90	Very high	86.3	Confident	60 Å²	60	45.3 Å²	45.3	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-69.1	-46.1	176.9	0	0	0	0	0	110.8	E331 R336 A337 E338	E331-A334 PolarHBondContact O-N 2.87Å; E331-A334 VanDerWaalsContact O-N 3.14Å; A334-R336 VanDerWaalsContact C-N 3.31Å; A334-R336 PolarHBondContact O-N 2.95Å; A334-A337 PolarHBondContact O-N 2.84Å; A334-A337 VanDerWaalsContact O-N 3.12Å; A334-E338 PolarHBondContact O-N 3.41Å; A334-E338 VanDerWaalsContact O-N 3.11Å
335	V	89.6	Confident	86.7	Confident	10 Å²	10	46.2 Å²	46.2	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-38.1	178.1	178.2	0	0	0	0	111.3	E331 M332 A337 E338 L339 K542 F543 F546	E331-V335 HydrophobicContact CB-CG2 4.34Å; E331-V335 WeakPolarHBondContact O-CG2 3.49Å; E331-V335 PolarHBondContact O-N 2.97Å; M332-V335 PolarHBondContact O-N 3.36Å; V335-A337 PolarHBondContact O-N 3.36Å; V335-E338 PolarHBondContact O-N 3.28Å; V335-L339 VanDerWaalsContact O-CB 3.28Å; V335-L339 WeakPolarHBondContact O-CB 3.12Å; V335-L339 PolarHBondContact O-N 2.84Å; V335-K542 HydrophobicContact CG1-CB 4.46Å; V335-K542 HydrophobicContact CG2-CB 4.48Å; V335-F543 HydrophobicContact CG1-CD1 3.6Å; V335-F543 HydrophobicContact CG1-CE1 3.98Å; V335-F546 HydrophobicContact CB-CD2 4.28Å; V335-F546 HydrophobicContact CG1-CB 3.78Å; V335-F546 HydrophobicContact CG1-CD2 4.15Å; V335-F546 HydrophobicContact CG1-CG 3.94Å
336	R	91.6	Very high	86.9	Confident	19 Å²	19	45 Å²	45	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-45.2	172.9	173	176.2	168	85.1	5.8	111.7	M332 A334 L339 L340 L358 F546 S598	M332-R336 VanDerWaalsContact O-CB 3.27Å; M332-R336 WeakPolarHBondContact O-CB 3.48Å; M332-R336 PolarHBondContact O-N 3.19Å; A334-R336 VanDerWaalsContact C-N 3.31Å; A334-R336 PolarHBondContact O-N 2.95Å; R336-L339 PolarHBondContact O-N 3.4Å; R336-L340 HydrophobicContact CG-CD1 3.93Å; R336-L340 HydrophobicContact CG-CG 4.32Å; R336-L340 WeakPolarHBondContact O-CB 3.4Å; R336-L340 VanDerWaalsContact O-CG 3.32Å; R336-L340 WeakPolarHBondContact O-CG 3.41Å; R336-L340 PolarHBondContact O-N 2.73Å; R336-L358 HydrophobicContact CG-CD2 4Å; R336-F546 HydrophobicContact CB-CE2 4.18Å; R336-F546 HydrophobicContact CB-CZ 3.96Å; R336-S598 WeakPolarHBondContact CD-O 3.45Å; R336-S598 WeakPolarHBondContact CD-OG 3.42Å; R336-S598 PolarHBondContact NE-OG 3.28Å; R336-S598 PolarHBondContact NH1-OG 3.28Å
337	A	91	Very high	87.1	Confident	60 Å²	60	41.3 Å²	41.3	50%	0.496	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-42.1	-179.2	0	0	0	0	0	111.7	A333 A334 V335 S341	A333-A337 PolarHBondContact O-N 2.87Å; A334-A337 PolarHBondContact O-N 2.84Å; A334-A337 VanDerWaalsContact O-N 3.12Å; V335-A337 PolarHBondContact O-N 3.36Å; A337-S341 PolarHBondContact O-N 2.9Å
338	E	90.9	Very high	87.1	Confident	89 Å²	89	37.9 Å²	37.9	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-45.4	174.3	-69.4	178.8	-168.9	0	0	111.8	A334 V335 L340 S341 Y342 F543	A334-E338 PolarHBondContact O-N 3.41Å; A334-E338 VanDerWaalsContact O-N 3.11Å; V335-E338 PolarHBondContact O-N 3.28Å; E338-L340 PolarHBondContact O-N 3.12Å; E338-S341 WeakPolarHBondContact O-CB 3.24Å; E338-S341 PolarHBondContact O-N 3.02Å; E338-Y342 WeakPolarHBondContact O-CB 3.17Å; E338-Y342 PolarHBondContact O-N 3.28Å; E338-F543 HydrophobicContact CB-CE1 4Å; E338-F543 HydrophobicContact CB-CZ 4.12Å
339	L	89.6	Confident	87.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-38.5	179.5	-176.6	57	0	0	0	112.3	V335 R336 Y342 F343 L358 F543 F546 L547	V335-L339 VanDerWaalsContact O-CB 3.28Å; V335-L339 WeakPolarHBondContact O-CB 3.12Å; V335-L339 PolarHBondContact O-N 2.84Å; R336-L339 PolarHBondContact O-N 3.4Å; L339-Y342 HydrophobicContact CD1-CD1 4.45Å; L339-Y342 WeakPolarHBondContact O-CB 3.18Å; L339-Y342 PolarHBondContact O-N 2.7Å; L339-F343 HydrophobicContact CD1-CD2 4.2Å; L339-F343 HydrophobicContact CD1-CE1 4.15Å; L339-F343 HydrophobicContact CD1-CE2 3.73Å; L339-F343 HydrophobicContact CD1-CZ 3.7Å; L339-F343 HydrophobicContact CD2-CE2 4.11Å; L339-F343 HydrophobicContact CG-CD2 4.05Å; L339-F343 HydrophobicContact CG-CE2 3.69Å; L339-F343 HydrophobicContact CG-CZ 4.18Å; L339-F343 PolarHBondContact O-N 3.45Å; L339-L358 HydrophobicContact CD2-CD1 3.51Å; L339-L358 HydrophobicContact CG-CD1 4.26Å; L339-F543 HydrophobicContact CB-CD1 3.95Å; L339-F543 HydrophobicContact CB-CE1 3.9Å; L339-F543 HydrophobicContact CB-CZ 4.43Å; L339-F543 HydrophobicContact CD1-CB 4.26Å; L339-F543 HydrophobicContact CD1-CD1 4.12Å; L339-F543 HydrophobicContact CD1-CD2 3.9Å; L339-F543 HydrophobicContact CD1-CE1 4.47Å; L339-F543 HydrophobicContact CD1-CE2 4.26Å; L339-F543 HydrophobicContact CD1-CG 3.85Å; L339-F543 HydrophobicContact CG-CD1 4.42Å; L339-F546 HydrophobicContact CD2-CD1 4.03Å; L339-F546 HydrophobicContact CD2-CE1 4.15Å; L339-L547 HydrophobicContact CD2-CD2 4.18Å; L339-L547 HydrophobicContact CD2-CG 4.43Å
340	L	90.6	Very high	87.3	Confident	27 Å²	27	35.2 Å²	35.2	14%	0.141	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-41.7	174.5	-77.7	174.6	0	0	0	112	R336 E338 Y342 F343 T344 E355 L358	R336-L340 HydrophobicContact CG-CD1 3.93Å; R336-L340 HydrophobicContact CG-CG 4.32Å; R336-L340 WeakPolarHBondContact O-CB 3.4Å; R336-L340 VanDerWaalsContact O-CG 3.32Å; R336-L340 WeakPolarHBondContact O-CG 3.41Å; R336-L340 PolarHBondContact O-N 2.73Å; E338-L340 PolarHBondContact O-N 3.12Å; L340-Y342 VanDerWaalsContact C-N 3.3Å; L340-Y342 PolarHBondContact O-N 2.8Å; L340-F343 PolarHBondContact O-N 2.79Å; L340-T344 WeakPolarHBondContact O-CB 3.22Å; L340-T344 PolarHBondContact O-N 2.8Å; L340-T344 PolarHBondContact O-OG1 3.45Å; L340-E355 HydrophobicContact CD1-CG 4.48Å; L340-E355 HydrophobicContact CD2-CB 4.4Å; L340-E355 HydrophobicContact CD2-CG 3.88Å; L340-L358 HydrophobicContact CD1-CD2 4.48Å; L340-L358 HydrophobicContact CD2-CB 4.14Å; L340-L358 HydrophobicContact CD2-CD2 3.65Å; L340-L358 HydrophobicContact CG-CD2 3.81Å
341	S	89.9	Confident	87.6	Confident	62 Å²	62	34.7 Å²	34.7	43%	0.434	21%	0.213	S	C	.	.	H	α-helix	trans	-58.9	-46.1	173.4	-174.7	0	0	0	0	110.5	A337 E338 T344 H345	A337-S341 PolarHBondContact O-N 2.9Å; E338-S341 WeakPolarHBondContact O-CB 3.24Å; E338-S341 PolarHBondContact O-N 3.02Å; S341-T344 WeakPolarHBondContact O-CB 3.49Å; S341-T344 PolarHBondContact O-N 3.48Å; S341-H345 PolarHBondContact O-CD2 3.2Å; S341-H345 PolarHBondContact O-N 2.87Å; S341-H345 VanDerWaalsContact O-N 3.08Å
342	Y	88.4	Confident	87.8	Confident	49 Å²	49	31 Å²	31	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-50.3	175.6	-177.6	-108.5	0	0	0	112.2	E338 L339 L340 T344 H345 V346 I397	E338-Y342 WeakPolarHBondContact O-CB 3.17Å; E338-Y342 PolarHBondContact O-N 3.28Å; L339-Y342 HydrophobicContact CD1-CD1 4.45Å; L339-Y342 WeakPolarHBondContact O-CB 3.18Å; L339-Y342 PolarHBondContact O-N 2.7Å; L340-Y342 VanDerWaalsContact C-N 3.3Å; L340-Y342 PolarHBondContact O-N 2.8Å; Y342-T344 VanDerWaalsContact C-N 3.31Å; Y342-T344 PolarHBondContact O-N 3.26Å; Y342-H345 WeakPolarHBondContact O-CB 3.43Å; Y342-H345 PolarHBondContact O-N 2.94Å; Y342-H345 VanDerWaalsContact O-N 3.16Å; Y342-V346 HydrophobicContact CD1-CG2 4.39Å; Y342-V346 HydrophobicContact CE1-CG2 4.08Å; Y342-V346 WeakPolarHBondContact O-CG2 3.31Å; Y342-V346 PolarHBondContact O-N 3.36Å; Y342-I397 HydrophobicContact CE1-CG2 3.8Å
343	F	88.9	Confident	87.9	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-32.4	177.3	-73.2	-31.5	0	0	0	113.7	L339 L340 H345 V346 L347 A354 L357 L358 L361 L401	L339-F343 HydrophobicContact CD1-CD2 4.2Å; L339-F343 HydrophobicContact CD1-CE1 4.15Å; L339-F343 HydrophobicContact CD1-CE2 3.73Å; L339-F343 HydrophobicContact CD1-CZ 3.7Å; L339-F343 HydrophobicContact CD2-CE2 4.11Å; L339-F343 HydrophobicContact CG-CD2 4.05Å; L339-F343 HydrophobicContact CG-CE2 3.69Å; L339-F343 HydrophobicContact CG-CZ 4.18Å; L339-F343 PolarHBondContact O-N 3.45Å; L340-F343 PolarHBondContact O-N 2.79Å; F343-H345 VanDerWaalsContact C-N 3.28Å; F343-H345 PolarHBondContact O-N 3.15Å; F343-V346 PolarHBondContact O-N 3.44Å; F343-V346 VanDerWaalsContact O-N 3.14Å; F343-L347 WeakPolarHBondContact O-CB 3.46Å; F343-L347 WeakPolarHBondContact O-CG 3.46Å; F343-L347 PolarHBondContact O-N 3Å; F343-A354 HydrophobicContact CB-CB 3.67Å; F343-L357 HydrophobicContact CD1-CD2 3.98Å; F343-L357 HydrophobicContact CE1-CD2 4.21Å; F343-L357 HydrophobicContact CG-CD2 4.17Å; F343-L358 HydrophobicContact CD2-CB 4.13Å; F343-L358 HydrophobicContact CE2-CB 4.09Å; F343-L358 HydrophobicContact CE2-CD1 4.06Å; F343-L361 HydrophobicContact CE1-CD1 4.43Å; F343-L361 HydrophobicContact CE2-CD1 4.01Å; F343-L361 HydrophobicContact CZ-CD1 3.5Å; F343-L401 HydrophobicContact CE1-CD1 3.48Å; F343-L401 VanDerWaalsContact CE1-CD1 3.48Å; F343-L401 HydrophobicContact CZ-CD1 3.57Å
344	T	88.3	Confident	88	Confident	29 Å²	29	28.1 Å²	28.1	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-40.6	174.3	-58.3	0	0	0	0	110.2	L340 S341 Y342 L347 L348 G349 A351	L340-T344 WeakPolarHBondContact O-CB 3.22Å; L340-T344 PolarHBondContact O-N 2.8Å; L340-T344 PolarHBondContact O-OG1 3.45Å; S341-T344 WeakPolarHBondContact O-CB 3.49Å; S341-T344 PolarHBondContact O-N 3.48Å; Y342-T344 VanDerWaalsContact C-N 3.31Å; Y342-T344 PolarHBondContact O-N 3.26Å; T344-L347 CarbonylContact O-C 3.42Å; T344-L347 PolarHBondContact O-N 3.48Å; T344-L348 PolarHBondContact O-N 3.01Å; T344-G349 WeakPolarHBondContact O-CA 3.22Å; T344-G349 PolarHBondContact O-N 2.77Å; T344-A351 HydrophobicContact CG2-CB 4.25Å
345	H	85	Confident	88.1	Confident	92 Å²	92	27.7 Å²	27.7	43%	0.426	16%	0.161	S	C	.	.	H	α-helix	trans	-65.3	-40.9	172.2	-66.4	-53.9	0	0	0	112.5	S341 Y342 F343 L347 L348 Y526 I530	S341-H345 PolarHBondContact O-CD2 3.2Å; S341-H345 PolarHBondContact O-N 2.87Å; S341-H345 VanDerWaalsContact O-N 3.08Å; Y342-H345 WeakPolarHBondContact O-CB 3.43Å; Y342-H345 PolarHBondContact O-N 2.94Å; Y342-H345 VanDerWaalsContact O-N 3.16Å; F343-H345 VanDerWaalsContact C-N 3.28Å; F343-H345 PolarHBondContact O-N 3.15Å; H345-L347 VanDerWaalsContact C-N 3.29Å; H345-L347 PolarHBondContact O-N 3.42Å; H345-L348 PolarHBondContact O-N 3.32Å; H345-Y526 PolarHBondContact ND1-OH 2.82Å; H345-Y526 VanDerWaalsContact ND1-OH 3.16Å; H345-Y526 VanDerWaalsContact O-CE1 3.28Å; H345-Y526 WeakPolarHBondContact O-CE1 3.38Å; H345-I530 WeakPolarHBondContact O-CD1 3.3Å
346	V	84	Confident	88.1	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-33.6	177.3	176.4	0	0	0	0	112.8	Y342 F343 L348 Y390 L394 I397 I530	Y342-V346 HydrophobicContact CD1-CG2 4.39Å; Y342-V346 HydrophobicContact CE1-CG2 4.08Å; Y342-V346 WeakPolarHBondContact O-CG2 3.31Å; Y342-V346 PolarHBondContact O-N 3.36Å; F343-V346 PolarHBondContact O-N 3.44Å; F343-V346 VanDerWaalsContact O-N 3.14Å; V346-L348 VanDerWaalsContact C-N 3.31Å; V346-L348 PolarHBondContact O-N 3.12Å; V346-Y390 PolarHBondContact O-OH 2.94Å; V346-L394 HydrophobicContact CG1-CD1 3.65Å; V346-I397 HydrophobicContact CB-CD1 4.3Å; V346-I397 HydrophobicContact CG1-CD1 3.57Å; V346-I397 HydrophobicContact CG2-CD1 3.72Å; V346-I397 HydrophobicContact CG2-CG2 4.38Å; V346-I530 HydrophobicContact CG2-CG2 4.25Å
347	L	84.7	Confident	88.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	31.4	-180	-62.2	171.8	0	0	0	112.2	F343 T344 H345 G349 D350 A353 A354 L357 L381 Y390 L394 L514	F343-L347 WeakPolarHBondContact O-CB 3.46Å; F343-L347 WeakPolarHBondContact O-CG 3.46Å; F343-L347 PolarHBondContact O-N 3Å; T344-L347 CarbonylContact O-C 3.42Å; T344-L347 PolarHBondContact O-N 3.48Å; H345-L347 VanDerWaalsContact C-N 3.29Å; H345-L347 PolarHBondContact O-N 3.42Å; L347-G349 VanDerWaalsContact C-N 3.27Å; L347-G349 PolarHBondContact O-N 2.79Å; L347-D350 HydrophobicContact CB-CB 4.46Å; L347-D350 WeakPolarHBondContact O-CB 3.21Å; L347-D350 PolarHBondContact O-N 3.26Å; L347-D350 VanDerWaalsContact O-N 3.1Å; L347-A353 HydrophobicContact CD1-CB 3.77Å; L347-A354 VanDerWaalsContact CD1-CA 3.42Å; L347-A354 HydrophobicContact CD1-CB 4Å; L347-L357 HydrophobicContact CD1-CB 4.28Å; L347-L357 HydrophobicContact CD1-CD2 4.07Å; L347-L381 HydrophobicContact CD2-CD1 4.29Å; L347-Y390 WeakPolarHBondContact CD2-OH 3.39Å; L347-L394 HydrophobicContact CD2-CD1 4.44Å; L347-L514 HydrophobicContact CB-CD1 3.94Å; L347-L514 HydrophobicContact CD2-CD1 4.18Å
348	L	82.8	Confident	88.2	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	33.4	170.3	-52.7	173.3	0	0	0	114.1	T344 H345 V346 P385 Y390 P516 Q517 V518 M523 Y526 L527	T344-L348 PolarHBondContact O-N 3.01Å; H345-L348 PolarHBondContact O-N 3.32Å; V346-L348 VanDerWaalsContact C-N 3.31Å; V346-L348 PolarHBondContact O-N 3.12Å; L348-P385 HydrophobicContact CD1-CG 4.06Å; L348-Y390 HydrophobicContact CD1-CE2 4.37Å; L348-Y390 HydrophobicContact CG-CE2 4.32Å; L348-P516 HydrophobicContact CB-CB 3.93Å; L348-P516 HydrophobicContact CD1-CB 3.8Å; L348-P516 HydrophobicContact CD1-CG 3.91Å; L348-Q517 PolarHBondContact O-N 3.03Å; L348-V518 HydrophobicContact CB-CG2 4.43Å; L348-M523 HydrophobicContact CD1-CE 4.31Å; L348-M523 HydrophobicContact CD1-CG 4.15Å; L348-M523 HydrophobicContact CD1-SD 3.76Å; L348-M523 HydrophobicContact CD2-CG 4Å; L348-Y526 HydrophobicContact CD2-CD1 3.82Å; L348-Y526 HydrophobicContact CD2-CE1 4.14Å; L348-L527 HydrophobicContact CD2-CD2 3.99Å; L348-L527 HydrophobicContact CD2-CG 4.34Å
349	G	80.3	Confident	88.2	Confident	14 Å²	14	19.2 Å²	19.2	14%	0.144	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	1.6	-179.9	0	0	0	0	0	115	T344 L347 A351 Q517	T344-G349 WeakPolarHBondContact O-CA 3.22Å; T344-G349 PolarHBondContact O-N 2.77Å; L347-G349 VanDerWaalsContact C-N 3.27Å; L347-G349 PolarHBondContact O-N 2.79Å; G349-A351 PolarHBondContact O-N 3.15Å; G349-Q517 VanDerWaalsContact O-CD 3.3Å; G349-Q517 PolarHBondContact O-NE2 2.91Å
350	D	86.3	Confident	88.3	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.016	11%	0.111	C	C	.	.			trans	-85	95	-178.3	-165.4	-10.7	0	0	0	112.4	L347 L352 A353 A354 L514 Q515 R622	L347-D350 HydrophobicContact CB-CB 4.46Å; L347-D350 WeakPolarHBondContact O-CB 3.21Å; L347-D350 PolarHBondContact O-N 3.26Å; L347-D350 VanDerWaalsContact O-N 3.1Å; D350-L352 VanDerWaalsContact C-N 3.31Å; D350-L352 PolarHBondContact O-N 3.21Å; D350-L352 PolarHBondContact OD1-N 3.27Å; D350-A353 HydrophobicContact CB-CB 4.08Å; D350-A353 PolarHBondContact OD1-N 3.12Å; D350-A354 WeakPolarHBondContact O-CB 3.45Å; D350-A354 PolarHBondContact O-N 3.02Å; D350-A354 VanDerWaalsContact O-N 3.14Å; D350-L514 HydrophobicContact CB-CD1 4.05Å; D350-Q515 PolarHBondContact OD2-N 3Å; D350-R622 IonicContact OD1-CZ 3.42Å; D350-R622 IonicContact OD1-NH1 3.25Å; D350-R622 PolarHBondContact OD1-NH1 2.83Å; D350-R622 IonicContact OD1-NH2 3.39Å; D350-R622 PolarHBondContact OD1-NH2 3.03Å; D350-R622 IonicContact OD2-CZ 3.85Å; D350-R622 IonicContact OD2-NH1 2.69Å; D350-R622 PolarHBondContact OD2-NH1 3.15Å; D350-R622 IonicContact OD2-NH2 3.07Å; D350-R622 PolarHBondContact OD2-NH2 3Å
351	A	88.7	Confident	88.3	Confident	54 Å²	54	18.1 Å²	18.1	45%	0.446	11%	0.106	S	C	.	.	H	α-helix	trans	-64	-32.9	179.5	0	0	0	0	0	113.3	T344 G349 A354 E355	T344-A351 HydrophobicContact CG2-CB 4.25Å; G349-A351 PolarHBondContact O-N 3.15Å; A351-A354 WeakPolarHBondContact O-CB 3.35Å; A351-A354 PolarHBondContact O-N 3.23Å; A351-E355 PolarHBondContact O-N 3.37Å; A351-E355 VanDerWaalsContact O-N 3.08Å
352	L	89.4	Confident	88.3	Confident	18 Å²	18	15.2 Å²	15.2	9%	0.094	9%	0.085	C	C	.	.	H	α-helix	trans	-69	-47.7	-179.4	-175.6	68.3	0	0	0	110.4	D350 A354 E355 F356 I615 L618	D350-L352 VanDerWaalsContact C-N 3.31Å; D350-L352 PolarHBondContact O-N 3.21Å; D350-L352 PolarHBondContact OD1-N 3.27Å; L352-A354 PolarHBondContact O-N 3.34Å; L352-E355 PolarHBondContact O-N 3.02Å; L352-F356 HydrophobicContact CD1-CD2 4.26Å; L352-F356 HydrophobicContact CD1-CE2 3.9Å; L352-F356 HydrophobicContact CG-CD2 4.24Å; L352-F356 HydrophobicContact CG-CE2 4.13Å; L352-F356 WeakPolarHBondContact O-CD2 3.25Å; L352-F356 PolarHBondContact O-N 2.88Å; L352-I615 HydrophobicContact CD1-CG2 3.82Å; L352-L618 HydrophobicContact CD1-CB 4.21Å; L352-L618 HydrophobicContact CD1-CD1 4.32Å; L352-L618 HydrophobicContact CD2-CB 4.08Å
353	A	88.8	Confident	88.3	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-35.5	176.6	0	0	0	0	0	111.6	L347 D350 F356 L357 I512 L514	L347-A353 HydrophobicContact CD1-CB 3.77Å; D350-A353 HydrophobicContact CB-CB 4.08Å; D350-A353 PolarHBondContact OD1-N 3.12Å; A353-F356 PolarHBondContact O-N 2.81Å; A353-L357 WeakPolarHBondContact O-CB 3.3Å; A353-L357 PolarHBondContact O-N 3.03Å; A353-I512 HydrophobicContact CB-CG2 4.27Å; A353-L514 HydrophobicContact CB-CD1 4.07Å
354	A	90.1	Very high	88.2	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.8	-41.5	176.3	0	0	0	0	0	112.9	F343 L347 D350 A351 L352 L357 L358	F343-A354 HydrophobicContact CB-CB 3.67Å; L347-A354 VanDerWaalsContact CD1-CA 3.42Å; L347-A354 HydrophobicContact CD1-CB 4Å; D350-A354 WeakPolarHBondContact O-CB 3.45Å; D350-A354 PolarHBondContact O-N 3.02Å; D350-A354 VanDerWaalsContact O-N 3.14Å; A351-A354 WeakPolarHBondContact O-CB 3.35Å; A351-A354 PolarHBondContact O-N 3.23Å; L352-A354 PolarHBondContact O-N 3.34Å; A354-L357 PolarHBondContact O-N 2.98Å; A354-L358 PolarHBondContact O-N 2.7Å
355	E	90.8	Very high	87.9	Confident	51 Å²	51	13.4 Å²	13.4	24%	0.238	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-47.6	174.9	-74.6	-166.6	147.2	0	0	111.4	L340 A351 L352 L358 L359 I615	L340-E355 HydrophobicContact CD1-CG 4.48Å; L340-E355 HydrophobicContact CD2-CB 4.4Å; L340-E355 HydrophobicContact CD2-CG 3.88Å; A351-E355 PolarHBondContact O-N 3.37Å; A351-E355 VanDerWaalsContact O-N 3.08Å; L352-E355 PolarHBondContact O-N 3.02Å; E355-L358 WeakPolarHBondContact O-CB 3.36Å; E355-L358 PolarHBondContact O-N 3.46Å; E355-L359 VanDerWaalsContact O-CG 3.3Å; E355-L359 WeakPolarHBondContact O-CG 3.48Å; E355-L359 PolarHBondContact O-N 3.41Å; E355-I615 WeakPolarHBondContact OE2-CD1 3.25Å; E355-I615 WeakPolarHBondContact OE2-CG1 3.38Å
356	F	91.3	Very high	87.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-70.6	-33.5	-179.3	-79.4	-77.4	0	0	0	113.9	L352 A353 L358 L359 H360 F377 L379 C510 I512 V591 I615 R619	L352-F356 HydrophobicContact CD1-CD2 4.26Å; L352-F356 HydrophobicContact CD1-CE2 3.9Å; L352-F356 HydrophobicContact CG-CD2 4.24Å; L352-F356 HydrophobicContact CG-CE2 4.13Å; L352-F356 WeakPolarHBondContact O-CD2 3.25Å; L352-F356 PolarHBondContact O-N 2.88Å; A353-F356 PolarHBondContact O-N 2.81Å; F356-L358 VanDerWaalsContact C-N 3.29Å; F356-L358 PolarHBondContact O-N 3.49Å; F356-L359 HydrophobicContact CD1-CD1 4.21Å; F356-L359 PolarHBondContact O-N 2.79Å; F356-H360 VanDerWaalsContact O-CB 3.27Å; F356-H360 WeakPolarHBondContact O-CB 3.41Å; F356-H360 PolarHBondContact O-N 2.88Å; F356-F377 HydrophobicContact CD1-CE1 4.17Å; F356-F377 AromaticContact CD1-CZ 3.7Å; F356-F377 HydrophobicContact CD1-CZ 3.7Å; F356-F377 HydrophobicContact CE1-CZ 4.09Å; F356-L379 HydrophobicContact CB-CD1 4.26Å; F356-C510 VanDerWaalsContact CE1-SG 3.57Å; F356-I512 HydrophobicContact CB-CD1 3.13Å; F356-I512 HydrophobicContact CD1-CD1 3.88Å; F356-I512 HydrophobicContact CD2-CD1 3.06Å; F356-I512 HydrophobicContact CD2-CG1 4.24Å; F356-I512 HydrophobicContact CE1-CD1 4.45Å; F356-I512 HydrophobicContact CE2-CD1 3.73Å; F356-I512 HydrophobicContact CG-CD1 3.1Å; F356-I512 HydrophobicContact CG-CG1 4.42Å; F356-I512 HydrophobicContact CZ-CD1 4.36Å; F356-V591 HydrophobicContact CE1-CG2 4.2Å; F356-I615 HydrophobicContact CD2-CG2 4.11Å; F356-I615 HydrophobicContact CE1-CG2 4.27Å; F356-I615 HydrophobicContact CE2-CG2 3.35Å; F356-I615 HydrophobicContact CZ-CG2 3.46Å; F356-I615 VanDerWaalsContact CZ-CG2 3.46Å; F356-R619 HydrophobicContact CE2-CB 4.11Å; F356-R619 HydrophobicContact CE2-CG 4.34Å; F356-R619 HydrophobicContact CZ-CB 4.12Å; F356-R619 HydrophobicContact CZ-CG 4.33Å
357	L	91.6	Very high	87.4	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-41.4	170.9	-179.5	63.2	0	0	0	110.9	F343 L347 A353 A354 H360 L361 L379 L394 L494	F343-L357 HydrophobicContact CD1-CD2 3.98Å; F343-L357 HydrophobicContact CE1-CD2 4.21Å; F343-L357 HydrophobicContact CG-CD2 4.17Å; L347-L357 HydrophobicContact CD1-CB 4.28Å; L347-L357 HydrophobicContact CD1-CD2 4.07Å; A353-L357 WeakPolarHBondContact O-CB 3.3Å; A353-L357 PolarHBondContact O-N 3.03Å; A354-L357 PolarHBondContact O-N 2.98Å; L357-H360 WeakPolarHBondContact O-CB 3.43Å; L357-H360 PolarHBondContact O-N 3.43Å; L357-L361 WeakPolarHBondContact O-CG 3.35Å; L357-L361 PolarHBondContact O-N 3.25Å; L357-L379 HydrophobicContact CB-CD2 4.3Å; L357-L379 HydrophobicContact CD1-CD2 4.3Å; L357-L394 HydrophobicContact CD2-CD1 4.43Å; L357-L494 HydrophobicContact CD1-CD1 4.25Å; L357-L494 HydrophobicContact CD1-CD2 3.87Å
358	L	92.7	Very high	87.2	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-47.8	175	177.9	57.5	0	0	0	111.7	R336 L339 L340 F343 A354 E355 F356 H360 L361 L362 F546 L547	R336-L358 HydrophobicContact CG-CD2 4Å; L339-L358 HydrophobicContact CD2-CD1 3.51Å; L339-L358 HydrophobicContact CG-CD1 4.26Å; L340-L358 HydrophobicContact CD1-CD2 4.48Å; L340-L358 HydrophobicContact CD2-CB 4.14Å; L340-L358 HydrophobicContact CD2-CD2 3.65Å; L340-L358 HydrophobicContact CG-CD2 3.81Å; F343-L358 HydrophobicContact CD2-CB 4.13Å; F343-L358 HydrophobicContact CE2-CB 4.09Å; F343-L358 HydrophobicContact CE2-CD1 4.06Å; A354-L358 PolarHBondContact O-N 2.7Å; E355-L358 WeakPolarHBondContact O-CB 3.36Å; E355-L358 PolarHBondContact O-N 3.46Å; F356-L358 VanDerWaalsContact C-N 3.29Å; F356-L358 PolarHBondContact O-N 3.49Å; L358-H360 PolarHBondContact O-N 3.42Å; L358-L361 PolarHBondContact O-N 3.22Å; L358-L362 HydrophobicContact CD1-CD1 4.23Å; L358-L362 HydrophobicContact CD1-CG 4.3Å; L358-L362 HydrophobicContact CG-CD1 4.24Å; L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.28Å; L358-L362 PolarHBondContact O-N 3.15Å; L358-L362 VanDerWaalsContact O-N 3.12Å; L358-F546 HydrophobicContact CD1-CE1 4.15Å; L358-L547 HydrophobicContact CD1-CD2 3.82Å
359	L	91.1	Very high	86.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-39.1	177	-62.3	176.4	0	0	0	111.5	E355 F356 L362 S363 F377 V591 L594 L595	E355-L359 VanDerWaalsContact O-CG 3.3Å; E355-L359 WeakPolarHBondContact O-CG 3.48Å; E355-L359 PolarHBondContact O-N 3.41Å; F356-L359 HydrophobicContact CD1-CD1 4.21Å; F356-L359 PolarHBondContact O-N 2.79Å; L359-L362 PolarHBondContact O-N 3.03Å; L359-S363 PolarHBondContact O-N 2.91Å; L359-S363 VanDerWaalsContact O-N 3.15Å; L359-F377 HydrophobicContact CB-CE1 4.43Å; L359-V591 HydrophobicContact CD1-CG1 3.99Å; L359-L594 HydrophobicContact CB-CB 4.11Å; L359-L594 HydrophobicContact CB-CD1 4.14Å; L359-L594 VanDerWaalsContact CD2-C 3.44Å; L359-L594 HydrophobicContact CD2-CB 3.53Å; L359-L594 HydrophobicContact CG-CB 4.3Å; L359-L595 HydrophobicContact CD1-CD2 4.21Å; L359-L595 HydrophobicContact CD1-CG 4.14Å; L359-L595 HydrophobicContact CD2-CB 4.47Å; L359-L595 HydrophobicContact CD2-CD2 3.85Å; L359-L595 HydrophobicContact CD2-CG 3.87Å
360	H	91.7	Very high	86.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-51.4	174.6	169.7	70.4	0	0	0	112.1	F356 L357 L358 L362 S363 F377 L379 N492 V493	F356-H360 VanDerWaalsContact O-CB 3.27Å; F356-H360 WeakPolarHBondContact O-CB 3.41Å; F356-H360 PolarHBondContact O-N 2.88Å; L357-H360 WeakPolarHBondContact O-CB 3.43Å; L357-H360 PolarHBondContact O-N 3.43Å; L358-H360 PolarHBondContact O-N 3.42Å; H360-L362 PolarHBondContact O-N 3.3Å; H360-S363 WeakPolarHBondContact O-CB 3.35Å; H360-S363 PolarHBondContact O-N 2.77Å; H360-S363 PolarHBondContact O-OG 2.87Å; H360-F377 HydrophobicContact CB-CD1 3.94Å; H360-F377 HydrophobicContact CB-CE1 4.32Å; H360-F377 PolarHBondContact ND1-O 2.92Å; H360-L379 HydrophobicContact CB-CB 3.9Å; H360-L379 HydrophobicContact CB-CD2 3.91Å; H360-N492 PolarHBondContact CE1-OD1 3.33Å; H360-N492 PolarHBondContact ND1-OD1 2.97Å; H360-N492 VanDerWaalsContact ND1-OD1 3.15Å; H360-N492 PolarHBondContact NE2-ND2 3.22Å; H360-N492 PolarHBondContact NE2-OD1 3.42Å; H360-N492 PolarHBondContact O-ND2 3.36Å; H360-N492 PolarHBondContact O-OD1 3.04Å; H360-V493 PolarHBondContact CE1-O 2.83Å
361	L	90.3	Very high	85.8	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-27.1	178.8	-67.8	175.4	0	0	0	113.4	F343 L357 L358 S363 V398 V402 L547 R551	F343-L361 HydrophobicContact CE1-CD1 4.43Å; F343-L361 HydrophobicContact CE2-CD1 4.01Å; F343-L361 HydrophobicContact CZ-CD1 3.5Å; L357-L361 WeakPolarHBondContact O-CG 3.35Å; L357-L361 PolarHBondContact O-N 3.25Å; L358-L361 PolarHBondContact O-N 3.22Å; L361-S363 VanDerWaalsContact C-N 3.34Å; L361-V398 HydrophobicContact CD2-CG1 4.34Å; L361-V402 HydrophobicContact CD2-CG1 3.98Å; L361-L547 HydrophobicContact CB-CD2 4.06Å; L361-L547 HydrophobicContact CD1-CD1 4.43Å; L361-R551 WeakPolarHBondContact O-CD 3.43Å
362	L	89.4	Confident	85.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-82.2	-10.2	176	-67.5	180	0	0	0	114	L358 L359 H360 F546 L547 A550 R551 L594	L358-L362 HydrophobicContact CD1-CD1 4.23Å; L358-L362 HydrophobicContact CD1-CG 4.3Å; L358-L362 HydrophobicContact CG-CD1 4.24Å; L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.28Å; L358-L362 PolarHBondContact O-N 3.15Å; L358-L362 VanDerWaalsContact O-N 3.12Å; L359-L362 PolarHBondContact O-N 3.03Å; H360-L362 PolarHBondContact O-N 3.3Å; L362-F546 HydrophobicContact CD2-CE1 4.37Å; L362-L547 HydrophobicContact CD2-CD2 3.68Å; L362-L547 HydrophobicContact CG-CD2 4.2Å; L362-A550 HydrophobicContact CD2-CB 3.42Å; L362-A550 VanDerWaalsContact CD2-CB 3.42Å; L362-R551 WeakPolarHBondContact O-CG 3.16Å; L362-L594 HydrophobicContact CB-CD2 4.23Å
363	S	88.8	Confident	84.8	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.028	20%	0.201	C	C	.	.			trans	-73.1	145.8	-176.2	77.7	0	0	0	0	112.7	L359 H360 L361 F377 N492 R551	L359-S363 PolarHBondContact O-N 2.91Å; L359-S363 VanDerWaalsContact O-N 3.15Å; H360-S363 WeakPolarHBondContact O-CB 3.35Å; H360-S363 PolarHBondContact O-N 2.77Å; H360-S363 PolarHBondContact O-OG 2.87Å; L361-S363 VanDerWaalsContact C-N 3.34Å; S363-F377 VanDerWaalsContact CB-CB 3.43Å; S363-N492 PolarHBondContact OG-OD1 3.48Å; S363-R551 PolarHBondContact O-NE 2.83Å; S363-R551 PolarHBondContact O-NH2 3.37Å; S363-R551 VanDerWaalsContact O-NH2 3.1Å
364	S	86.8	Confident	84.5	Confident	18 Å²	18	42.7 Å²	42.7	13%	0.126	21%	0.206	C	C	.	.			trans	-157.2	142.2	177.3	62.8	0	0	0	0	109.6	Y366 G375	S364-Y366 PolarHBondContact O-N 3.37Å; S364-Y366 VanDerWaalsContact O-N 3.12Å; S364-G375 CarbonylContact C-O 3.55Å; S364-G375 PolarHBondContact N-O 3.11Å; S364-G375 CarbonylContact O-C 3.46Å; S364-G375 VanDerWaalsContact O-O 3.11Å
365	V	81.9	Confident	83.9	Confident	20 Å²	20	43 Å²	43	12%	0.121	21%	0.209	C	C	.	.			trans	-73	104.7	171.3	-176.4	0	0	0	0	108.2	R368 P373 L374 K376 Q474 N490	V365-R368 HydrophobicContact CG1-CG 4.2Å; V365-P373 HydrophobicContact CG1-CB 3.84Å; V365-P373 HydrophobicContact CG2-CB 4.24Å; V365-L374 WeakPolarHBondContact CA-O 3.16Å; V365-K376 HydrophobicContact CG2-CB 4.32Å; V365-Q474 HydrophobicContact CG2-CB 4.2Å; V365-Q474 HydrophobicContact CG2-CG 3.77Å; V365-N490 HydrophobicContact CB-CB 4.45Å; V365-N490 PolarHBondContact N-OD1 3.49Å
366	Y	79	Confident	83.6	Confident	119 Å²	119	41.6 Å²	41.6	47%	0.467	20%	0.202	S	C	.	.			trans	-94.1	-25.5	-175.7	66.7	-84.1	0	0	0	112.8	S364 L374 R593	S364-Y366 PolarHBondContact O-N 3.37Å; S364-Y366 VanDerWaalsContact O-N 3.12Å; Y366-L374 HydrophobicContact CD1-CB 4.37Å; Y366-L374 WeakPolarHBondContact CD1-O 3.45Å; Y366-L374 HydrophobicContact CE1-CB 3.53Å; Y366-L374 VanDerWaalsContact CE1-O 3.28Å; Y366-L374 WeakPolarHBondContact CE1-O 3.46Å; Y366-L374 HydrophobicContact CE2-CB 4.28Å; Y366-L374 VanDerWaalsContact CZ-CB 3.48Å; Y366-L374 PolarHBondContact N-O 3.32Å; Y366-R593 VanDerWaalsContact CD1-CZ 3.46Å; Y366-R593 VanDerWaalsContact CD2-NH1 3.3Å
367	S	79	Confident	83.4	Confident	45 Å²	45	41.8 Å²	41.8	32%	0.315	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	148.8	-179.5	-174.3	0	0	0	0	110.1	L374	S367-L374 WeakPolarHBondContact O-CB 3.46Å; S367-L374 PolarHBondContact O-N 3.35Å
368	R	80.6	Confident	83.3	Confident	91 Å²	91	41.8 Å²	41.8	34%	0.343	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.9	170.6	-65.2	179.7	-179	-114.3	-2.9	107.2	V365 Q474 P488 C489	V365-R368 HydrophobicContact CG1-CG 4.2Å; R368-Q474 PolarHBondContact NH1-O 3.42Å; R368-Q474 PolarHBondContact NH2-O 3.31Å; R368-P488 VanDerWaalsContact NH1-CB 3.33Å; R368-C489 PolarHBondContact NH2-O 3.11Å
369	R	74.2	Confident	83.1	Confident	185 Å²	185	41.8 Å²	41.8	70%	0.698	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107	111.6	168.9	-68.2	-171.5	-179.3	-175.9	0.2	106.4	V371 L372 L374	R369-V371 PolarHBondContact O-N 3.13Å; R369-V371 VanDerWaalsContact O-N 3.14Å; R369-L372 PolarHBondContact N-O 3.12Å; R369-L372 PolarHBondContact O-N 3.48Å; R369-L372 VanDerWaalsContact O-N 3.09Å; R369-L374 HydrophobicContact CG-CD1 4.12Å
370	D	73.3	Confident	83	Confident	166 Å²	166	41.8 Å²	41.8	89%	0.888	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	-111.5	-169.4	-52.6	-43.3	0	0	0	111.8
371	V	72.2	Confident	82.8	Confident	87 Å²	87	41.9 Å²	41.9	53%	0.527	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-14.7	-177.1	-173.1	0	0	0	0	112.1	R369 P373 W473	R369-V371 PolarHBondContact O-N 3.13Å; R369-V371 VanDerWaalsContact O-N 3.14Å; V371-P373 VanDerWaalsContact O-CD 3.28Å; V371-P373 WeakPolarHBondContact O-CD 3.07Å; V371-W473 HydrophobicContact CG1-CD2 4.5Å; V371-W473 HydrophobicContact CG1-CE3 3.78Å; V371-W473 HydrophobicContact CG1-CZ3 3.93Å
372	L	76.4	Confident	82.5	Confident	82 Å²	82	41.8 Å²	41.8	43%	0.429	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.6	-172.8	-169.2	72.7	0	0	0	111.5	R369 L374	R369-L372 PolarHBondContact N-O 3.12Å; R369-L372 PolarHBondContact O-N 3.48Å; R369-L372 VanDerWaalsContact O-N 3.09Å; L372-L374 HydrophobicContact CD2-CD2 4.04Å; L372-L374 HydrophobicContact CG-CD2 4.49Å; L372-L374 PolarHBondContact O-N 3.15Å
373	P	81.8	Confident	81.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.6	171.8	31.7	-34.9	0	0	0	110.3	V365 V371 K376 Q474	V365-P373 HydrophobicContact CG1-CB 3.84Å; V365-P373 HydrophobicContact CG2-CB 4.24Å; V371-P373 VanDerWaalsContact O-CD 3.28Å; V371-P373 WeakPolarHBondContact O-CD 3.07Å; P373-K376 HydrophobicContact CG-CD 4.02Å; P373-K376 HydrophobicContact CG-CG 4.46Å; P373-Q474 HydrophobicContact CB-CB 4Å; P373-Q474 HydrophobicContact CB-CG 4.19Å; P373-Q474 HydrophobicContact CG-CB 4.1Å; P373-Q474 HydrophobicContact CG-CG 4.17Å
374	L	80.6	Confident	81.5	Confident	23 Å²	23	42.8 Å²	42.8	12%	0.12	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.9	175.8	-58.6	174.2	0	0	0	110.4	V365 Y366 S367 R369 L372	V365-L374 WeakPolarHBondContact CA-O 3.16Å; Y366-L374 HydrophobicContact CD1-CB 4.37Å; Y366-L374 WeakPolarHBondContact CD1-O 3.45Å; Y366-L374 HydrophobicContact CE1-CB 3.53Å; Y366-L374 VanDerWaalsContact CE1-O 3.28Å; Y366-L374 WeakPolarHBondContact CE1-O 3.46Å; Y366-L374 HydrophobicContact CE2-CB 4.28Å; Y366-L374 VanDerWaalsContact CZ-CB 3.48Å; Y366-L374 PolarHBondContact N-O 3.32Å; S367-L374 WeakPolarHBondContact O-CB 3.46Å; S367-L374 PolarHBondContact O-N 3.35Å; R369-L374 HydrophobicContact CG-CD1 4.12Å; L372-L374 HydrophobicContact CD2-CD2 4.04Å; L372-L374 HydrophobicContact CG-CD2 4.49Å; L372-L374 PolarHBondContact O-N 3.15Å
375	G	78.1	Confident	80.8	Confident	6 Å²	6	42.8 Å²	42.8	6%	0.062	21%	0.213	C	C	.	.	S	Bend	trans	91.9	2.8	175.5	0	0	0	0	0	115.5	S364	S364-G375 CarbonylContact C-O 3.55Å; S364-G375 PolarHBondContact N-O 3.11Å; S364-G375 CarbonylContact O-C 3.46Å; S364-G375 VanDerWaalsContact O-O 3.11Å
376	K	85.4	Confident	80	Confident	22 Å²	22	45.5 Å²	45.5	10%	0.096	24%	0.237	C	C	.	.			trans	-61	141.2	164.5	62.4	163.7	-171.4	163.2	0	109.7	V365 P373 I471 T472 Q474 D509	V365-K376 HydrophobicContact CG2-CB 4.32Å; P373-K376 HydrophobicContact CG-CD 4.02Å; P373-K376 HydrophobicContact CG-CG 4.46Å; K376-I471 PolarHBondContact NZ-O 2.9Å; K376-T472 WeakPolarHBondContact CE-O 3.3Å; K376-T472 PolarHBondContact NZ-O 3.22Å; K376-Q474 HydrophobicContact CB-CG 4.2Å; K376-Q474 HydrophobicContact CD-CG 4.5Å; K376-D509 VanDerWaalsContact CE-OD1 3.22Å; K376-D509 WeakPolarHBondContact CE-OD1 3.49Å; K376-D509 IonicContact NZ-OD1 3.16Å; K376-D509 PolarHBondContact NZ-OD1 3.1Å
377	F	86.9	Confident	79.4	Confident	3 Å²	3	42.5 Å²	42.5	1%	0.013	23%	0.231	C	C	.	.			trans	-144.5	85	172.8	-167.7	-98	0	0	0	109.5	F356 L359 H360 S363 C510 V590 V591 L594	F356-F377 HydrophobicContact CD1-CE1 4.17Å; F356-F377 AromaticContact CD1-CZ 3.7Å; F356-F377 HydrophobicContact CD1-CZ 3.7Å; F356-F377 HydrophobicContact CE1-CZ 4.09Å; L359-F377 HydrophobicContact CB-CE1 4.43Å; H360-F377 HydrophobicContact CB-CD1 3.94Å; H360-F377 HydrophobicContact CB-CE1 4.32Å; H360-F377 PolarHBondContact ND1-O 2.92Å; S363-F377 VanDerWaalsContact CB-CB 3.43Å; F377-C510 HydrophobicContact CE1-CB 3.87Å; F377-C510 HydrophobicContact CE2-CB 3.76Å; F377-C510 HydrophobicContact CZ-CB 3.3Å; F377-V590 HydrophobicContact CB-CG1 4.35Å; F377-V590 HydrophobicContact CD2-CG1 3.83Å; F377-V591 HydrophobicContact CE2-CG2 3.71Å; F377-V591 HydrophobicContact CZ-CG2 4.16Å; F377-L594 HydrophobicContact CB-CD1 3.95Å; F377-L594 HydrophobicContact CD1-CD1 4.44Å; F377-L594 HydrophobicContact CD2-CD1 4.12Å; F377-L594 HydrophobicContact CG-CD1 3.91Å
378	T	88.2	Confident	78.6	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	23%	0.231	C	C	.	.			trans	-79.4	126.3	176.3	55	0	0	0	0	110	I471 V493 S508 D509 C510	T378-I471 HydrophobicContact CG2-CG2 4.05Å; T378-V493 HydrophobicContact CG2-CB 4Å; T378-V493 HydrophobicContact CG2-CG2 4.37Å; T378-S508 WeakPolarHBondContact OG1-CA 3.3Å; T378-D509 PolarHBondContact N-OD2 2.69Å; T378-D509 PolarHBondContact O-N 3.38Å; T378-D509 PolarHBondContact OG1-N 3.04Å; T378-D509 PolarHBondContact OG1-OD2 3.43Å; T378-C510 PolarHBondContact O-N 2.95Å
379	L	89.1	Confident	78.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.2	-176.2	177.7	63	0	0	0	109.8	F356 L357 H360 L381 V493 L494 I495 C510 I512	F356-L379 HydrophobicContact CB-CD1 4.26Å; L357-L379 HydrophobicContact CB-CD2 4.3Å; L357-L379 HydrophobicContact CD1-CD2 4.3Å; H360-L379 HydrophobicContact CB-CB 3.9Å; H360-L379 HydrophobicContact CB-CD2 3.91Å; L379-L381 HydrophobicContact CD1-CD2 4.3Å; L379-L381 HydrophobicContact CD2-CD2 3.97Å; L379-L381 HydrophobicContact CD2-CG 4.17Å; L379-L381 HydrophobicContact CG-CD2 4.13Å; L379-L381 HydrophobicContact CG-CG 4.21Å; L379-V493 PolarHBondContact N-O 2.81Å; L379-L494 HydrophobicContact CB-CD1 3.93Å; L379-L494 HydrophobicContact CD2-CD1 3.83Å; L379-L494 HydrophobicContact CG-CD1 3.91Å; L379-I495 PolarHBondContact O-N 3.28Å; L379-C510 WeakPolarHBondContact CA-O 3.31Å; L379-C510 HydrophobicContact CD1-CB 4.16Å; L379-I512 HydrophobicContact CD1-CD1 3.75Å; L379-I512 HydrophobicContact CD1-CG1 4.1Å
380	N	89.8	Confident	78.7	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.5	168.2	-177.9	1.9	0	0	0	109.9	I495 S497 S501 C510 H511 I512	N380-I495 WeakPolarHBondContact CA-O 3.06Å; N380-I495 HydrophobicContact CB-CB 4.16Å; N380-I495 HydrophobicContact CB-CD1 4.44Å; N380-S497 PolarHBondContact OD1-OG 3.47Å; N380-S501 WeakPolarHBondContact ND2-CB 3.31Å; N380-C510 PolarHBondContact N-O 2.85Å; N380-H511 HydrophobicContact CB-CB 4.44Å; N380-H511 PolarHBondContact ND2-ND1 3.09Å; N380-H511 VanDerWaalsContact ND2-ND1 3.12Å; N380-H511 WeakPolarHBondContact O-CA 3.38Å; N380-I512 PolarHBondContact O-N 3.47Å
381	L	86.8	Confident	79.2	Confident	1 Å²	1	23 Å²	23	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	106.6	170.4	-63.6	178.4	0	0	0	108.2	L347 L379 L394 L494 I495 S497 I512	L347-L381 HydrophobicContact CD2-CD1 4.29Å; L379-L381 HydrophobicContact CD1-CD2 4.3Å; L379-L381 HydrophobicContact CD2-CD2 3.97Å; L379-L381 HydrophobicContact CD2-CG 4.17Å; L379-L381 HydrophobicContact CG-CD2 4.13Å; L379-L381 HydrophobicContact CG-CG 4.21Å; L381-L394 HydrophobicContact CD1-CD2 4.23Å; L381-L494 HydrophobicContact CD1-CD1 4.05Å; L381-L494 HydrophobicContact CG-CD1 4.16Å; L381-I495 PolarHBondContact N-O 3.32Å; L381-S497 PolarHBondContact O-N 2.87Å; L381-S497 PolarHBondContact O-OG 2.84Å; L381-I512 WeakPolarHBondContact CA-O 3.41Å; L381-I512 HydrophobicContact CD2-CB 4.46Å
382	S	84.9	Confident	79.9	Confident	3 Å²	3	23.4 Å²	23.4	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	162	174.8	68.2	0	0	0	0	111.8	C384 S497 G499 H511 I512 H513 L514	S382-C384 VanDerWaalsContact C-N 3.28Å; S382-C384 PolarHBondContact O-N 3.14Å; S382-S497 CarbonylContact C-O 3.43Å; S382-S497 VanDerWaalsContact CA-O 3.27Å; S382-S497 WeakPolarHBondContact CA-O 3.46Å; S382-S497 WeakPolarHBondContact CA-OG 3.19Å; S382-G499 WeakPolarHBondContact CB-O 3.39Å; S382-H511 WeakPolarHBondContact CB-CE1 3.34Å; S382-H511 WeakPolarHBondContact CB-NE2 3.2Å; S382-H511 PolarHBondContact OG-CE1 3.14Å; S382-H511 VanDerWaalsContact OG-CE1 3.31Å; S382-H511 PolarHBondContact OG-NE2 3.19Å; S382-I512 PolarHBondContact N-O 3.36Å; S382-I512 PolarHBondContact OG-O 3.32Å; S382-H513 VanDerWaalsContact OG-CA 3.3Å; S382-H513 WeakPolarHBondContact OG-CA 3.42Å; S382-H513 PolarHBondContact OG-ND1 3.19Å; S382-L514 WeakPolarHBondContact O-CB 3.3Å; S382-L514 PolarHBondContact O-N 3.07Å
383	G	76.3	Confident	80.3	Confident	19 Å²	19	23.1 Å²	23.1	20%	0.196	14%	0.144	C	C	.	.	S	Bend	trans	72.1	23.3	-177.4	0	0	0	0	0	113.1	S497 E498	G383-S497 PolarHBondContact N-O 2.81Å; G383-E498 WeakPolarHBondContact CA-O 3.31Å; G383-E498 PolarHBondContact N-O 3.37Å
384	C	79.3	Confident	80.6	Confident	6 Å²	6	23.2 Å²	23.2	4%	0.041	14%	0.144	C	C	.	.			trans	-61.3	136.7	170.7	-69.5	0	0	0	0	109.5	S382 A386 Y390 T449 S497	S382-C384 VanDerWaalsContact C-N 3.28Å; S382-C384 PolarHBondContact O-N 3.14Å; C384-A386 PolarHBondContact O-N 3.27Å; C384-Y390 HydrophobicContact CB-CD1 4.33Å; C384-Y390 HydrophobicContact CB-CE1 4.43Å; C384-T449 HydrophobicContact CB-CG2 4.33Å; C384-S497 PolarHBondContact N-O 2.96Å
385	P	73.5	Confident	81	Confident	19 Å²	19	23.6 Å²	23.6	12%	0.123	15%	0.145	C	C	.	.			trans	-55.7	134.5	176.1	-22.5	31.1	0	0	0	110.7	L348 T387 Y390 M523	L348-P385 HydrophobicContact CD1-CG 4.06Å; P385-T387 PolarHBondContact O-N 3.48Å; P385-Y390 HydrophobicContact CG-CD1 4.46Å; P385-Y390 HydrophobicContact CG-CG 4.37Å; P385-M523 HydrophobicContact CB-SD 3.85Å; P385-M523 HydrophobicContact CG-CE 4.44Å; P385-M523 HydrophobicContact CG-SD 3.51Å; P385-M523 VanDerWaalsContact CG-SD 3.51Å
386	A	63.9	Low	81.6	Confident	76 Å²	76	27.6 Å²	27.6	63%	0.628	16%	0.161	S	C	*	.	S	Bend	trans	-62.1	-5	178.5	0	0	0	0	0	113.9	C384 A388 E498	C384-A386 PolarHBondContact O-N 3.27Å; A386-A388 PolarHBondContact O-N 3.23Å; A386-E498 WeakPolarHBondContact CB-OE1 3.23Å
387	T	66.8	Low	81.7	Confident	56 Å²	56	26.8 Å²	26.8	34%	0.344	16%	0.158	S	C	.	.			trans	-68.6	104.8	171.7	-46.2	0	0	0	0	109.1	P385 A389 Y390	P385-T387 PolarHBondContact O-N 3.48Å; T387-A389 HydrophobicContact CG2-CB 4.01Å; T387-A389 PolarHBondContact O-N 2.91Å; T387-Y390 WeakPolarHBondContact O-CB 3.23Å; T387-Y390 PolarHBondContact O-N 2.66Å
388	A	62.1	Low	81.9	Confident	38 Å²	38	26.7 Å²	26.7	31%	0.314	16%	0.158	S	C	.	.	H	α-helix	trans	-51.2	-21.8	178.6	0	0	0	0	0	114.5	A386 Y390 T391 Q392	A386-A388 PolarHBondContact O-N 3.23Å; A388-Y390 PolarHBondContact O-N 3.48Å; A388-T391 PolarHBondContact O-OG1 3.24Å; A388-Q392 WeakPolarHBondContact O-CG 3.18Å
389	A	74.5	Confident	82	Confident	36 Å²	36	29.3 Å²	29.3	30%	0.298	17%	0.17	S	C	.	.	H	α-helix	trans	-63.5	-27.2	173.1	0	0	0	0	0	113.3	T387 R393	T387-A389 HydrophobicContact CG2-CB 4.01Å; T387-A389 PolarHBondContact O-N 2.91Å; A389-R393 WeakPolarHBondContact O-CB 3.37Å; A389-R393 WeakPolarHBondContact O-CG 3.44Å; A389-R393 PolarHBondContact O-N 3.01Å
390	Y	82.1	Confident	82	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-70.8	-54.1	-177.1	-179.8	-104	0	0	0	112.2	V346 L347 L348 C384 P385 T387 A388 Q392 R393 L394 L514 L527	V346-Y390 PolarHBondContact O-OH 2.94Å; L347-Y390 WeakPolarHBondContact CD2-OH 3.39Å; L348-Y390 HydrophobicContact CD1-CE2 4.37Å; L348-Y390 HydrophobicContact CG-CE2 4.32Å; C384-Y390 HydrophobicContact CB-CD1 4.33Å; C384-Y390 HydrophobicContact CB-CE1 4.43Å; P385-Y390 HydrophobicContact CG-CD1 4.46Å; P385-Y390 HydrophobicContact CG-CG 4.37Å; T387-Y390 WeakPolarHBondContact O-CB 3.23Å; T387-Y390 PolarHBondContact O-N 2.66Å; A388-Y390 PolarHBondContact O-N 3.48Å; Y390-Q392 VanDerWaalsContact C-N 3.28Å; Y390-Q392 PolarHBondContact O-N 2.87Å; Y390-R393 PolarHBondContact O-N 2.89Å; Y390-R393 VanDerWaalsContact O-N 3.15Å; Y390-L394 HydrophobicContact CE1-CD2 4.43Å; Y390-L394 WeakPolarHBondContact O-CB 3.48Å; Y390-L394 PolarHBondContact O-N 3.19Å; Y390-L514 HydrophobicContact CE1-CD2 4.27Å; Y390-L527 HydrophobicContact CD2-CD1 3.97Å; Y390-L527 HydrophobicContact CD2-CD2 3.58Å; Y390-L527 HydrophobicContact CD2-CG 4.43Å; Y390-L527 HydrophobicContact CE2-CD2 3.84Å
391	T	84.4	Confident	82	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-38	-178.7	57.1	0	0	0	0	111.3	A388 L394 Y395 D447 T449 A496	A388-T391 PolarHBondContact O-OG1 3.24Å; T391-L394 PolarHBondContact O-N 3.49Å; T391-Y395 WeakPolarHBondContact O-CB 3.06Å; T391-Y395 PolarHBondContact O-N 3.37Å; T391-D447 VanDerWaalsContact CB-OD2 3.31Å; T391-D447 WeakPolarHBondContact CB-OD2 3.45Å; T391-D447 PolarHBondContact OG1-OD2 3.24Å; T391-T449 HydrophobicContact CG2-CG2 3.98Å; T391-A496 HydrophobicContact CG2-CB 4.08Å
392	Q	86.3	Confident	82.2	Confident	97 Å²	97	31.9 Å²	31.9	45%	0.453	18%	0.183	S	C	.	.	H	α-helix	trans	-64.3	-43.1	173.9	-68.7	-179.7	1	0	0	112.7	A388 Y390 Y395 Q396	A388-Q392 WeakPolarHBondContact O-CG 3.18Å; Y390-Q392 VanDerWaalsContact C-N 3.28Å; Y390-Q392 PolarHBondContact O-N 2.87Å; Q392-Y395 PolarHBondContact O-N 2.95Å; Q392-Q396 VanDerWaalsContact O-CG 3.29Å; Q392-Q396 WeakPolarHBondContact O-CG 3.32Å; Q392-Q396 PolarHBondContact O-N 3.19Å
393	R	84.8	Confident	82.4	Confident	75 Å²	75	32.7 Å²	32.7	28%	0.283	19%	0.188	S	C	.	.	H	α-helix	trans	-66.3	-41.8	175.6	-77.6	179.1	-163.8	-168.4	11.8	111.8	A389 Y390 Y395 Q396 I397 L527 S528	A389-R393 WeakPolarHBondContact O-CB 3.37Å; A389-R393 WeakPolarHBondContact O-CG 3.44Å; A389-R393 PolarHBondContact O-N 3.01Å; Y390-R393 PolarHBondContact O-N 2.89Å; Y390-R393 VanDerWaalsContact O-N 3.15Å; R393-Y395 VanDerWaalsContact C-N 3.3Å; R393-Y395 PolarHBondContact O-N 2.91Å; R393-Q396 WeakPolarHBondContact O-CB 3.48Å; R393-Q396 PolarHBondContact O-N 2.89Å; R393-I397 WeakPolarHBondContact O-CD1 3.48Å; R393-I397 VanDerWaalsContact O-CG1 3.31Å; R393-I397 WeakPolarHBondContact O-CG1 3.4Å; R393-I397 PolarHBondContact O-N 3.25Å; R393-L527 PolarHBondContact NH1-O 3.02Å; R393-S528 VanDerWaalsContact NH1-CA 3.27Å
394	L	87.7	Confident	83.2	Confident	2 Å²	2	32 Å²	32	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-44.9	174.9	-177.3	63.1	0	0	0	110.6	V346 L347 L357 L381 Y390 T391 I397 V398 F445	V346-L394 HydrophobicContact CG1-CD1 3.65Å; L347-L394 HydrophobicContact CD2-CD1 4.44Å; L357-L394 HydrophobicContact CD2-CD1 4.43Å; L381-L394 HydrophobicContact CD1-CD2 4.23Å; Y390-L394 HydrophobicContact CE1-CD2 4.43Å; Y390-L394 WeakPolarHBondContact O-CB 3.48Å; Y390-L394 PolarHBondContact O-N 3.19Å; T391-L394 PolarHBondContact O-N 3.49Å; L394-I397 PolarHBondContact O-N 2.89Å; L394-V398 WeakPolarHBondContact O-CG2 3.48Å; L394-V398 PolarHBondContact O-N 3.47Å; L394-F445 HydrophobicContact CB-CE2 4.48Å; L394-F445 HydrophobicContact CD2-CE2 3.85Å; L394-F445 HydrophobicContact CD2-CZ 4.06Å; L394-F445 HydrophobicContact CG-CE2 4Å; L394-F445 HydrophobicContact CG-CZ 4.45Å
395	Y	90.6	Very high	83.9	Confident	32 Å²	32	31.8 Å²	31.8	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-45.2	174.3	176.3	-107.6	0	0	0	112.3	T391 Q392 R393 I397 V398 Q399 S405 Y407 F445	T391-Y395 WeakPolarHBondContact O-CB 3.06Å; T391-Y395 PolarHBondContact O-N 3.37Å; Q392-Y395 PolarHBondContact O-N 2.95Å; R393-Y395 VanDerWaalsContact C-N 3.3Å; R393-Y395 PolarHBondContact O-N 2.91Å; Y395-I397 VanDerWaalsContact C-N 3.27Å; Y395-I397 PolarHBondContact O-N 3.47Å; Y395-V398 PolarHBondContact O-N 3.21Å; Y395-Q399 VanDerWaalsContact CE1-OE1 3.26Å; Y395-Q399 WeakPolarHBondContact O-CB 3.46Å; Y395-Q399 PolarHBondContact O-N 3.12Å; Y395-S405 PolarHBondContact OH-O 2.71Å; Y395-Y407 HydrophobicContact CD1-CD2 4.3Å; Y395-Y407 HydrophobicContact CD1-CG 4.32Å; Y395-Y407 HydrophobicContact CD2-CD2 4.16Å; Y395-Y407 HydrophobicContact CD2-CG 4.49Å; Y395-Y407 AromaticContact CG-CD2 3.91Å; Y395-Y407 HydrophobicContact CG-CD2 3.91Å; Y395-Y407 HydrophobicContact CG-CG 4.31Å; Y395-Y407 PolarHBondContact OH-N 3.18Å; Y395-F445 HydrophobicContact CD2-CB 3.68Å; Y395-F445 HydrophobicContact CD2-CD2 4.29Å; Y395-F445 AromaticContact CD2-CG 3.99Å; Y395-F445 HydrophobicContact CD2-CG 3.99Å; Y395-F445 HydrophobicContact CE2-CB 4.17Å
396	Q	89.3	Confident	84.8	Confident	89 Å²	89	31.9 Å²	31.9	42%	0.416	18%	0.177	S	C	.	.	H	α-helix	trans	-58.3	-39.2	176.3	-73.5	169.9	3.2	0	0	112.3	Q392 R393 Q399 Q400	Q392-Q396 VanDerWaalsContact O-CG 3.29Å; Q392-Q396 WeakPolarHBondContact O-CG 3.32Å; Q392-Q396 PolarHBondContact O-N 3.19Å; R393-Q396 WeakPolarHBondContact O-CB 3.48Å; R393-Q396 PolarHBondContact O-N 2.89Å; Q396-Q399 WeakPolarHBondContact O-CB 3.29Å; Q396-Q399 PolarHBondContact O-N 3.06Å; Q396-Q400 WeakPolarHBondContact O-CG 3.28Å; Q396-Q400 PolarHBondContact O-N 2.76Å; Q396-Q400 VanDerWaalsContact O-N 3.13Å
397	I	88.6	Confident	86.2	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-45.5	177	-67.9	160.4	0	0	0	110.5	Y342 V346 R393 L394 Y395 Q399 Q400 L401 I530	Y342-I397 HydrophobicContact CE1-CG2 3.8Å; V346-I397 HydrophobicContact CB-CD1 4.3Å; V346-I397 HydrophobicContact CG1-CD1 3.57Å; V346-I397 HydrophobicContact CG2-CD1 3.72Å; V346-I397 HydrophobicContact CG2-CG2 4.38Å; R393-I397 WeakPolarHBondContact O-CD1 3.48Å; R393-I397 VanDerWaalsContact O-CG1 3.31Å; R393-I397 WeakPolarHBondContact O-CG1 3.4Å; R393-I397 PolarHBondContact O-N 3.25Å; L394-I397 PolarHBondContact O-N 2.89Å; Y395-I397 VanDerWaalsContact C-N 3.27Å; Y395-I397 PolarHBondContact O-N 3.47Å; I397-Q399 VanDerWaalsContact C-N 3.29Å; I397-Q399 PolarHBondContact O-N 2.92Å; I397-Q400 WeakPolarHBondContact O-CB 3.39Å; I397-Q400 PolarHBondContact O-N 3.09Å; I397-Q400 VanDerWaalsContact O-N 3.14Å; I397-L401 HydrophobicContact CG2-CD1 4.31Å; I397-L401 WeakPolarHBondContact O-CG 3.47Å; I397-L401 PolarHBondContact O-N 3.38Å; I397-I530 HydrophobicContact CD1-CG2 4.3Å
398	V	90.8	Very high	87.3	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-44.1	174.1	174.2	0	0	0	0	110.3	L361 L394 Y395 Q400 L401 V402	L361-V398 HydrophobicContact CD2-CG1 4.34Å; L394-V398 WeakPolarHBondContact O-CG2 3.48Å; L394-V398 PolarHBondContact O-N 3.47Å; Y395-V398 PolarHBondContact O-N 3.21Å; V398-Q400 PolarHBondContact O-N 3.43Å; V398-Q400 VanDerWaalsContact O-N 3.16Å; V398-L401 PolarHBondContact O-N 3.33Å; V398-V402 HydrophobicContact CG1-CG1 4.14Å; V398-V402 HydrophobicContact CG1-CG2 4Å; V398-V402 WeakPolarHBondContact O-CG2 3.41Å; V398-V402 PolarHBondContact O-N 3.02Å
399	Q	90.9	Very high	88.6	Confident	56 Å²	56	27.1 Å²	27.1	26%	0.262	13%	0.132	S	C	.	.	H	α-helix	trans	-56.9	-31.2	178	-159.1	-175.7	-66.3	0	0	112.7	N137 W139 Y395 Q396 I397	N137-Q399 HydrophobicContact CB-CG 4.14Å; N137-Q399 WeakPolarHBondContact CB-O 3.42Å; N137-Q399 PolarHBondContact ND2-O 3.36Å; N137-Q399 WeakPolarHBondContact OD1-CG 3.44Å; W139-Q399 PolarHBondContact NE1-O 3.44Å; Y395-Q399 VanDerWaalsContact CE1-OE1 3.26Å; Y395-Q399 WeakPolarHBondContact O-CB 3.46Å; Y395-Q399 PolarHBondContact O-N 3.12Å; Q396-Q399 WeakPolarHBondContact O-CB 3.29Å; Q396-Q399 PolarHBondContact O-N 3.06Å; I397-Q399 VanDerWaalsContact C-N 3.29Å; I397-Q399 PolarHBondContact O-N 2.92Å
400	Q	88.8	Confident	89	Confident	46 Å²	46	25.8 Å²	25.8	22%	0.215	12%	0.12	C	C	.	.	H	α-helix	trans	-78.2	-21.2	176.3	-71.5	-175.6	-15.7	0	0	113.8	Q396 I397 V398 R544	Q396-Q400 WeakPolarHBondContact O-CG 3.28Å; Q396-Q400 PolarHBondContact O-N 2.76Å; Q396-Q400 VanDerWaalsContact O-N 3.13Å; I397-Q400 WeakPolarHBondContact O-CB 3.39Å; I397-Q400 PolarHBondContact O-N 3.09Å; I397-Q400 VanDerWaalsContact O-N 3.14Å; V398-Q400 PolarHBondContact O-N 3.43Å; V398-Q400 VanDerWaalsContact O-N 3.16Å; Q400-R544 VanDerWaalsContact O-CZ 3.24Å; Q400-R544 PolarHBondContact O-NE 3.25Å; Q400-R544 PolarHBondContact O-NH2 3.44Å
401	L	88.7	Confident	89.2	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-99.6	-35.6	-175	-66.1	173.7	0	0	0	113	F343 I397 V398 L540 F543 R544 L547	F343-L401 HydrophobicContact CE1-CD1 3.48Å; F343-L401 VanDerWaalsContact CE1-CD1 3.48Å; F343-L401 HydrophobicContact CZ-CD1 3.57Å; I397-L401 HydrophobicContact CG2-CD1 4.31Å; I397-L401 WeakPolarHBondContact O-CG 3.47Å; I397-L401 PolarHBondContact O-N 3.38Å; V398-L401 PolarHBondContact O-N 3.33Å; L401-L540 HydrophobicContact CD2-CD2 3.97Å; L401-F543 HydrophobicContact CD2-CB 3.81Å; L401-F543 HydrophobicContact CD2-CD2 4.1Å; L401-F543 HydrophobicContact CD2-CG 4.44Å; L401-R544 WeakPolarHBondContact O-CG 3.45Å; L401-L547 HydrophobicContact CB-CD1 4.04Å
402	V	91.3	Very high	89.2	Confident	8 Å²	8	28.7 Å²	28.7	5%	0.048	14%	0.138	C	C	.	.	S	Bend	trans	-98.8	151.7	-177.2	-54.2	0	0	0	0	111.6	N137 W139 L361 V398 S404	N137-V402 PolarHBondContact ND2-O 2.88Å; W139-V402 PolarHBondContact NE1-O 2.9Å; L361-V402 HydrophobicContact CD2-CG1 3.98Å; V398-V402 HydrophobicContact CG1-CG1 4.14Å; V398-V402 HydrophobicContact CG1-CG2 4Å; V398-V402 WeakPolarHBondContact O-CG2 3.41Å; V398-V402 PolarHBondContact O-N 3.02Å; V402-S404 WeakPolarHBondContact CG2-O 3.39Å
403	P	90	Very high	89.2	Confident	19 Å²	19	29.7 Å²	29.7	12%	0.123	14%	0.142	C	C	.	.	S	Bend	trans	-73.4	-34.1	-179	27.2	-34	0	0	0	113.2	N137 W139 A140 N309	N137-P403 WeakPolarHBondContact CB-O 3.29Å; N137-P403 PolarHBondContact N-O 3.19Å; W139-P403 HydrophobicContact CH2-CB 4.5Å; W139-P403 HydrophobicContact CZ2-CB 4.18Å; A140-P403 HydrophobicContact CB-CB 4.4Å; N309-P403 HydrophobicContact CB-CB 4.19Å; N309-P403 HydrophobicContact CB-CG 4.48Å; N309-P403 VanDerWaalsContact O-CB 3.25Å; N309-P403 WeakPolarHBondContact O-CB 3.46Å
404	S	92.3	Very high	89.3	Confident	4 Å²	4	28.3 Å²	28.3	3%	0.028	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-135.7	132.1	177.9	-57	0	0	0	0	110.7	G135 N309 V402 S443	G135-S404 CarbonylContact O-C 3.5Å; G135-S404 WeakPolarHBondContact O-CA 3.47Å; N309-S404 PolarHBondContact ND2-OG 3.22Å; V402-S404 WeakPolarHBondContact CG2-O 3.39Å; S404-S443 PolarHBondContact O-N 2.87Å
405	S	93.6	Very high	89.2	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.7	175.4	52.7	0	0	0	0	112.7	G135 N137 Y395 S443	G135-S405 PolarHBondContact O-N 2.82Å; G135-S405 VanDerWaalsContact O-O 3.08Å; N137-S405 PolarHBondContact ND2-OG 2.67Å; N137-S405 PolarHBondContact OD1-OG 3.34Å; Y395-S405 PolarHBondContact OH-O 2.71Å; S405-S443 CarbonylContact C-O 3.55Å; S405-S443 WeakPolarHBondContact CA-O 3.35Å
406	F	93.4	Very high	89.1	Confident	20 Å²	20	28.4 Å²	28.4	9%	0.088	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.8	175.2	178.4	-124.9	0	0	0	110.6	L225 L408 A435 S443 L444 F445	L225-F406 HydrophobicContact CD1-CB 4.15Å; L225-F406 HydrophobicContact CD1-CD2 3.6Å; L225-F406 HydrophobicContact CD1-CE2 4.21Å; L225-F406 HydrophobicContact CD1-CG 3.93Å; L225-F406 HydrophobicContact CD2-CD1 3.92Å; L225-F406 HydrophobicContact CD2-CD2 3.67Å; L225-F406 HydrophobicContact CD2-CE1 3.87Å; L225-F406 HydrophobicContact CD2-CE2 3.6Å; L225-F406 HydrophobicContact CD2-CG 3.84Å; L225-F406 HydrophobicContact CD2-CZ 3.71Å; L225-F406 HydrophobicContact CG-CD2 4.18Å; L225-F406 HydrophobicContact CG-CE2 4.34Å; F406-L408 HydrophobicContact CE1-CB 4.06Å; F406-A435 HydrophobicContact CE1-CB 4.14Å; F406-A435 HydrophobicContact CZ-CB 4.33Å; F406-S443 PolarHBondContact N-O 3.48Å; F406-L444 HydrophobicContact CB-CD1 4.36Å; F406-L444 HydrophobicContact CD1-CD1 3.55Å; F406-L444 HydrophobicContact CE1-CD1 4.33Å; F406-L444 HydrophobicContact CG-CD1 4.39Å; F406-F445 PolarHBondContact O-N 2.89Å
407	Y	92.6	Very high	88.9	Confident	55 Å²	55	30.9 Å²	30.9	22%	0.216	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.5	175.9	175.9	-96	0	0	0	110.2	Y395 A409 F445 D447	Y395-Y407 HydrophobicContact CD1-CD2 4.3Å; Y395-Y407 HydrophobicContact CD1-CG 4.32Å; Y395-Y407 HydrophobicContact CD2-CD2 4.16Å; Y395-Y407 HydrophobicContact CD2-CG 4.49Å; Y395-Y407 AromaticContact CG-CD2 3.91Å; Y395-Y407 HydrophobicContact CG-CD2 3.91Å; Y395-Y407 HydrophobicContact CG-CG 4.31Å; Y395-Y407 PolarHBondContact OH-N 3.18Å; Y407-A409 HydrophobicContact CE1-CB 3.72Å; Y407-F445 HydrophobicContact CD2-CB 4.35Å; Y407-F445 AromaticContact CD2-CD1 3.51Å; Y407-F445 HydrophobicContact CD2-CD1 3.51Å; Y407-F445 HydrophobicContact CD2-CE1 4.16Å; Y407-F445 HydrophobicContact CD2-CG 4.18Å; Y407-F445 AromaticContact CE2-CD1 3.7Å; Y407-F445 HydrophobicContact CE2-CD1 3.7Å; Y407-F445 AromaticContact CE2-CE1 3.92Å; Y407-F445 HydrophobicContact CE2-CE1 3.92Å; Y407-D447 HydrophobicContact CE2-CB 3.66Å; Y407-D447 WeakPolarHBondContact OH-CB 3.37Å; Y407-D447 PolarHBondContact OH-OD2 3.38Å
408	L	90.8	Very high	88.8	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	102.8	175.9	179.2	58.4	0	0	0	109.2	F406 M410 M418 L420 L444 F445 L446 D447 L467	F406-L408 HydrophobicContact CE1-CB 4.06Å; L408-M410 HydrophobicContact CD2-SD 4.25Å; L408-M410 HydrophobicContact CG-SD 4.34Å; L408-M410 PolarHBondContact O-N 2.91Å; L408-M418 HydrophobicContact CD1-CE 3.19Å; L408-M418 HydrophobicContact CD1-SD 4.23Å; L408-L420 HydrophobicContact CD1-CD2 4.44Å; L408-L420 HydrophobicContact CD2-CD1 4.2Å; L408-L420 HydrophobicContact CD2-CD2 4.08Å; L408-L444 HydrophobicContact CB-CD1 4.43Å; L408-F445 PolarHBondContact N-O 3.42Å; L408-L446 HydrophobicContact CB-CD2 3.84Å; L408-L446 HydrophobicContact CD2-CD2 3.72Å; L408-L446 HydrophobicContact CG-CD2 4.12Å; L408-D447 PolarHBondContact O-N 3.1Å; L408-L467 HydrophobicContact CD2-CD1 4.27Å; L408-L467 HydrophobicContact CD2-CD2 4.22Å
409	A	88.8	Confident	88.7	Confident	15 Å²	15	38.1 Å²	38.1	12%	0.124	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.1	168.4	0	0	0	0	0	109.9	Y407 S411 N414	Y407-A409 HydrophobicContact CE1-CB 3.72Å; A409-S411 PolarHBondContact O-N 3.17Å; A409-N414 VanDerWaalsContact O-CB 3.28Å; A409-N414 WeakPolarHBondContact O-CB 3.37Å; A409-N414 PolarHBondContact O-ND2 3.48Å
410	M	84.2	Confident	88.5	Confident	7 Å²	7	35.5 Å²	35.5	3%	0.034	17%	0.171	C	C	.	.			trans	-80.7	43.1	-177.5	-64	-74.2	-66.6	0	0	112.3	L408 M415 D447 E448 L451 L467 L503	L408-M410 HydrophobicContact CD2-SD 4.25Å; L408-M410 HydrophobicContact CG-SD 4.34Å; L408-M410 PolarHBondContact O-N 2.91Å; M410-M415 HydrophobicContact CE-CE 3.72Å; M410-M415 HydrophobicContact CE-CG 4.31Å; M410-M415 HydrophobicContact CE-SD 3.64Å; M410-M415 HydrophobicContact SD-CE 4.22Å; M410-M415 HydrophobicContact SD-CG 4.46Å; M410-M415 HydrophobicContact SD-SD 3.47Å; M410-D447 VanDerWaalsContact CB-O 3.3Å; M410-D447 WeakPolarHBondContact CB-O 3.42Å; M410-D447 PolarHBondContact N-O 2.87Å; M410-E448 HydrophobicContact CG-CG 4.32Å; M410-L451 HydrophobicContact CB-CD1 4.28Å; M410-L467 HydrophobicContact CE-CD1 3.8Å; M410-L467 HydrophobicContact SD-CD1 3.68Å; M410-L503 HydrophobicContact CE-CD2 4.42Å
411	S	85.8	Confident	88.6	Confident	27 Å²	27	34.8 Å²	34.8	19%	0.189	17%	0.17	C	C	.	.			trans	-73.6	154.7	173.8	71.6	0	0	0	0	111.1	A409 Q413 N414 M415	A409-S411 PolarHBondContact O-N 3.17Å; S411-Q413 PolarHBondContact O-N 3.34Å; S411-N414 PolarHBondContact O-N 3.45Å; S411-N414 WeakPolarHBondContact OG-CB 3.28Å; S411-N414 VanDerWaalsContact OG-CG 3.28Å; S411-N414 PolarHBondContact OG-N 3.31Å; S411-N414 PolarHBondContact OG-ND2 3.36Å; S411-M415 WeakPolarHBondContact O-CG 3.34Å; S411-M415 PolarHBondContact O-N 2.92Å
412	L	84.9	Confident	88.7	Confident	38 Å²	38	34.7 Å²	34.7	20%	0.199	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-41.1	178.2	-72.2	169.3	0	0	0	112.1	N416 E452 L456	L412-N416 WeakPolarHBondContact O-CB 3.45Å; L412-N416 PolarHBondContact O-N 3.29Å; L412-N416 VanDerWaalsContact O-N 3.09Å; L412-E452 HydrophobicContact CD1-CB 4Å; L412-E452 HydrophobicContact CG-CB 4.48Å; L412-L456 HydrophobicContact CD2-CD2 4.18Å
413	Q	85.8	Confident	88.7	Confident	118 Å²	118	40.1 Å²	40.1	55%	0.551	19%	0.189	S	C	*	.	H	α-helix	trans	-62.6	-49.5	177.9	-176.3	177.3	-2.9	0	0	111.4	S411 M415 N416 Q417	S411-Q413 PolarHBondContact O-N 3.34Å; Q413-M415 VanDerWaalsContact C-N 3.34Å; Q413-M415 PolarHBondContact O-N 2.99Å; Q413-N416 PolarHBondContact O-N 3Å; Q413-Q417 VanDerWaalsContact CG-CD 3.46Å; Q413-Q417 HydrophobicContact CG-CG 4.25Å; Q413-Q417 VanDerWaalsContact CG-OE1 3.27Å; Q413-Q417 VanDerWaalsContact O-CB 3.25Å; Q413-Q417 WeakPolarHBondContact O-CB 3.38Å; Q413-Q417 WeakPolarHBondContact O-CG 3.28Å; Q413-Q417 PolarHBondContact O-N 3.03Å
414	N	86.1	Confident	88.7	Confident	46 Å²	46	40.4 Å²	40.4	25%	0.246	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-43.2	-179.5	-79.6	-4.9	0	0	0	111.4	A409 S411 N416 M418	A409-N414 VanDerWaalsContact O-CB 3.28Å; A409-N414 WeakPolarHBondContact O-CB 3.37Å; A409-N414 PolarHBondContact O-ND2 3.48Å; S411-N414 PolarHBondContact O-N 3.45Å; S411-N414 WeakPolarHBondContact OG-CB 3.28Å; S411-N414 VanDerWaalsContact OG-CG 3.28Å; S411-N414 PolarHBondContact OG-N 3.31Å; S411-N414 PolarHBondContact OG-ND2 3.36Å; N414-N416 VanDerWaalsContact C-N 3.34Å; N414-N416 PolarHBondContact O-N 3.46Å; N414-M418 HydrophobicContact CB-CE 3.48Å; N414-M418 VanDerWaalsContact CB-CE 3.48Å; N414-M418 WeakPolarHBondContact O-CB 3.13Å; N414-M418 PolarHBondContact O-N 2.88Å
415	M	86.4	Confident	88.5	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-33.5	-179.3	-69.8	-55	-66.9	0	0	113.1	M410 S411 Q413 L456 G460 N463 V464 L467	M410-M415 HydrophobicContact CE-CE 3.72Å; M410-M415 HydrophobicContact CE-CG 4.31Å; M410-M415 HydrophobicContact CE-SD 3.64Å; M410-M415 HydrophobicContact SD-CE 4.22Å; M410-M415 HydrophobicContact SD-CG 4.46Å; M410-M415 HydrophobicContact SD-SD 3.47Å; S411-M415 WeakPolarHBondContact O-CG 3.34Å; S411-M415 PolarHBondContact O-N 2.92Å; Q413-M415 VanDerWaalsContact C-N 3.34Å; Q413-M415 PolarHBondContact O-N 2.99Å; M415-L456 HydrophobicContact CB-CD2 3.91Å; M415-G460 WeakPolarHBondContact O-CA 3.47Å; M415-N463 HydrophobicContact CE-CB 3.68Å; M415-N463 PolarHBondContact O-ND2 3.18Å; M415-V464 HydrophobicContact CE-CG2 3.55Å; M415-L467 HydrophobicContact CE-CD1 4.14Å
416	N	87.5	Confident	88.1	Confident	31 Å²	31	48 Å²	48	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-87.2	-30.5	179	-70.2	-21.2	0	0	0	113.2	L412 Q413 N414 D457 G460	L412-N416 WeakPolarHBondContact O-CB 3.45Å; L412-N416 PolarHBondContact O-N 3.29Å; L412-N416 VanDerWaalsContact O-N 3.09Å; Q413-N416 PolarHBondContact O-N 3Å; N414-N416 VanDerWaalsContact C-N 3.34Å; N414-N416 PolarHBondContact O-N 3.46Å; N416-D457 HydrophobicContact CB-CB 4.49Å; N416-D457 PolarHBondContact ND2-OD2 3.47Å; N416-D457 PolarHBondContact OD1-N 2.8Å; N416-G460 WeakPolarHBondContact OD1-CA 3.4Å
417	Q	86.8	Confident	87.7	Confident	140 Å²	140	51.7 Å²	51.7	65%	0.654	25%	0.245	S	C	*	.	H	α-helix	trans	-94	-33.6	-176	-65.6	-179.3	-7.1	0	0	113.9	Q413	Q413-Q417 VanDerWaalsContact CG-CD 3.46Å; Q413-Q417 HydrophobicContact CG-CG 4.25Å; Q413-Q417 VanDerWaalsContact CG-OE1 3.27Å; Q413-Q417 VanDerWaalsContact O-CB 3.25Å; Q413-Q417 WeakPolarHBondContact O-CB 3.38Å; Q413-Q417 WeakPolarHBondContact O-CG 3.28Å; Q413-Q417 PolarHBondContact O-N 3.03Å
418	M	85.9	Confident	87.1	Confident	37 Å²	37	49.4 Å²	49.4	18%	0.182	24%	0.237	C	C	.	.			trans	-74.7	142.3	-177.7	-73.7	-155.3	-99.3	0	0	112.1	L408 N414 L420 N463	L408-M418 HydrophobicContact CD1-CE 3.19Å; L408-M418 HydrophobicContact CD1-SD 4.23Å; N414-M418 HydrophobicContact CB-CE 3.48Å; N414-M418 VanDerWaalsContact CB-CE 3.48Å; N414-M418 WeakPolarHBondContact O-CB 3.13Å; N414-M418 PolarHBondContact O-N 2.88Å; M418-L420 HydrophobicContact CB-CD2 4.45Å; M418-N463 PolarHBondContact O-ND2 3.06Å
419	R	88	Confident	86.8	Confident	123 Å²	123	50.6 Å²	50.6	46%	0.464	24%	0.244	S	C	.	.			trans	-93.5	102.1	170.7	-172.8	179.6	-56.8	-170.7	9.7	108.8	V421 S433 G434 A435	R419-V421 WeakPolarHBondContact CG-O 3.38Å; R419-S433 VanDerWaalsContact CD-O 3.26Å; R419-S433 WeakPolarHBondContact CD-O 3.29Å; R419-G434 CarbonylContact O-C 3.54Å; R419-G434 WeakPolarHBondContact O-CA 3.37Å; R419-A435 PolarHBondContact O-N 2.89Å
420	L	87.9	Confident	86.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.246	C	C	.	.			trans	-81.7	-36.8	176.4	-63.9	-169.4	0	0	0	111.8	L408 M418 G434 A435 L436 N463 L467	L408-L420 HydrophobicContact CD1-CD2 4.44Å; L408-L420 HydrophobicContact CD2-CD1 4.2Å; L408-L420 HydrophobicContact CD2-CD2 4.08Å; M418-L420 HydrophobicContact CB-CD2 4.45Å; L420-G434 CarbonylContact O-C 3.58Å; L420-A435 HydrophobicContact CD2-CB 3.86Å; L420-A435 PolarHBondContact O-N 2.83Å; L420-L436 HydrophobicContact CB-CD1 3.92Å; L420-L436 HydrophobicContact CB-CG 3.91Å; L420-L436 VanDerWaalsContact O-CB 3.3Å; L420-L436 WeakPolarHBondContact O-CB 3.32Å; L420-L436 WeakPolarHBondContact O-CG 3.43Å; L420-L436 PolarHBondContact O-N 3.35Å; L420-N463 WeakPolarHBondContact CB-OD1 3.48Å; L420-N463 HydrophobicContact CD1-CB 3.62Å; L420-N463 HydrophobicContact CG-CB 4.07Å; L420-L467 HydrophobicContact CD1-CD1 4.08Å; L420-L467 HydrophobicContact CD1-CD2 4.23Å; L420-L467 HydrophobicContact CD1-CG 3.96Å
421	V	89.7	Confident	87	Confident	30 Å²	30	52 Å²	52	18%	0.182	25%	0.245	C	C	.	.	S	Bend	trans	-99.5	129.5	-174.2	178.5	0	0	0	0	111.2	R419 A466 D477	R419-V421 WeakPolarHBondContact CG-O 3.38Å; V421-A466 HydrophobicContact CG2-CB 3.41Å; V421-A466 VanDerWaalsContact CG2-CB 3.41Å; V421-D477 WeakPolarHBondContact CG1-O 3.49Å
422	P	91.1	Very high	87.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.241	C	C	.	.			trans	-62.4	147.5	173.2	-25.4	37.5	0	0	0	112.8	L431 V432 Q437 Y478 D479	P422-L431 HydrophobicContact CB-CD1 4.15Å; P422-L431 HydrophobicContact CB-CD2 4.38Å; P422-L431 HydrophobicContact CB-CG 4.25Å; P422-V432 CarbonylContact C-O 3.59Å; P422-V432 VanDerWaalsContact CA-O 3.28Å; P422-V432 WeakPolarHBondContact CA-O 3.23Å; P422-Q437 HydrophobicContact CG-CB 4.08Å; P422-Y478 HydrophobicContact CB-CD1 4.11Å; P422-Y478 HydrophobicContact CB-CD2 4Å; P422-Y478 HydrophobicContact CB-CE1 4.18Å; P422-Y478 HydrophobicContact CB-CE2 4.07Å; P422-Y478 HydrophobicContact CB-CG 4.03Å; P422-Y478 HydrophobicContact CG-CD1 3.88Å; P422-Y478 HydrophobicContact CG-CD2 4.38Å; P422-Y478 HydrophobicContact CG-CE1 3.54Å; P422-Y478 HydrophobicContact CG-CE2 4.09Å; P422-Y478 HydrophobicContact CG-CG 4.29Å; P422-D479 PolarHBondContact O-N 3Å
423	R	91.3	Very high	87.4	Confident	122 Å²	122	50.2 Å²	50.2	46%	0.46	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.6	-176.5	-177.6	179.9	177.8	-166.6	-2.9	111.9	D425 V432 D479 N481	R423-D425 PolarHBondContact O-N 3.3Å; R423-V432 PolarHBondContact N-O 2.93Å; R423-V432 WeakPolarHBondContact O-CB 3.49Å; R423-V432 PolarHBondContact O-N 3.34Å; R423-D479 CarbonylContact C-O 3.55Å; R423-D479 VanDerWaalsContact CA-O 3.25Å; R423-D479 WeakPolarHBondContact CA-O 3.32Å; R423-D479 HydrophobicContact CB-CB 4.41Å; R423-D479 HydrophobicContact CG-CB 4.31Å; R423-N481 VanDerWaalsContact CZ-OD1 3.24Å; R423-N481 PolarHBondContact NE-OD1 2.96Å; R423-N481 PolarHBondContact NH2-OD1 3.49Å
424	K	90.3	Very high	87.6	Confident	26 Å²	26	44.7 Å²	44.7	11%	0.113	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.4	173.4	-172.4	70.7	176.1	178.3	0	110.3	Y426 N429 D479 F480 N481	K424-Y426 HydrophobicContact CB-CE2 4.37Å; K424-Y426 HydrophobicContact CG-CD2 4.45Å; K424-Y426 HydrophobicContact CG-CE1 4.33Å; K424-Y426 HydrophobicContact CG-CE2 4.19Å; K424-N429 VanDerWaalsContact CE-OD1 3.28Å; K424-N429 WeakPolarHBondContact CE-OD1 3.33Å; K424-N429 PolarHBondContact NZ-O 2.76Å; K424-N429 PolarHBondContact NZ-OD1 2.83Å; K424-D479 PolarHBondContact N-O 3.2Å; K424-F480 HydrophobicContact CB-CD1 3.54Å; K424-F480 HydrophobicContact CB-CE1 3.99Å; K424-F480 HydrophobicContact CB-CG 4.18Å; K424-F480 HydrophobicContact CD-CD1 4.47Å; K424-F480 HydrophobicContact CD-CE1 4.3Å; K424-F480 HydrophobicContact CG-CD1 3.9Å; K424-F480 HydrophobicContact CG-CE1 4.23Å; K424-N481 PolarHBondContact O-ND2 3.18Å; K424-N481 VanDerWaalsContact O-ND2 3.16Å
425	D	87.4	Confident	87.8	Confident	54 Å²	54	42.6 Å²	42.6	29%	0.289	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.4	167.2	-176.5	-4.4	0	0	0	108.8	R423 V427 A428 N429 R430 V432	R423-D425 PolarHBondContact O-N 3.3Å; D425-V427 VanDerWaalsContact C-N 3.34Å; D425-V427 WeakPolarHBondContact OD1-CB 3.25Å; D425-V427 PolarHBondContact OD1-N 3.5Å; D425-A428 PolarHBondContact OD1-N 3.46Å; D425-N429 CarbonylContact O-C 3.56Å; D425-N429 WeakPolarHBondContact O-CA 3.49Å; D425-N429 PolarHBondContact O-N 3.36Å; D425-R430 HydrophobicContact CB-CG 4.38Å; D425-R430 PolarHBondContact N-O 2.65Å; D425-R430 PolarHBondContact O-N 2.69Å; D425-V432 HydrophobicContact CB-CG2 3.76Å
426	Y	86.1	Confident	88	Confident	112 Å²	112	42.5 Å²	42.5	44%	0.439	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16	179.8	-71.1	-84.9	0	0	0	113.2	K424 F480 N481	K424-Y426 HydrophobicContact CB-CE2 4.37Å; K424-Y426 HydrophobicContact CG-CD2 4.45Å; K424-Y426 HydrophobicContact CG-CE1 4.33Å; K424-Y426 HydrophobicContact CG-CE2 4.19Å; Y426-F480 WeakPolarHBondContact CE2-O 3.13Å; Y426-F480 PolarHBondContact OH-O 3.23Å; Y426-N481 WeakPolarHBondContact CD2-ND2 3.46Å; Y426-N481 HydrophobicContact CE2-CB 4.18Å; Y426-N481 WeakPolarHBondContact CE2-ND2 3.45Å
427	V	84.2	Confident	88.2	Confident	98 Å²	98	41.1 Å²	41.1	59%	0.594	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-44.9	178.9	-179.8	0	0	0	0	110.2	S281 A283 D425 N429	S281-V427 PolarHBondContact OG-O 2.97Å; A283-V427 HydrophobicContact CB-CG1 4.3Å; D425-V427 VanDerWaalsContact C-N 3.34Å; D425-V427 WeakPolarHBondContact OD1-CB 3.25Å; D425-V427 PolarHBondContact OD1-N 3.5Å; V427-N429 VanDerWaalsContact C-N 3.35Å
428	A	80.8	Confident	88.4	Confident	7 Å²	7	34.7 Å²	34.7	6%	0.058	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.4	176.2	0	0	0	0	0	113.3	A283 V287 D425 R430	A283-A428 HydrophobicContact CB-CB 4.43Å; V287-A428 HydrophobicContact CG2-CB 4.21Å; D425-A428 PolarHBondContact OD1-N 3.46Å; A428-R430 HydrophobicContact CB-CG 4.12Å; A428-R430 PolarHBondContact O-N 3.11Å; A428-R430 VanDerWaalsContact O-N 3.13Å
429	N	85	Confident	88.6	Confident	26 Å²	26	33.1 Å²	33.1	14%	0.139	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	39.9	-172.6	-167.5	16	0	0	0	114	D79 E284 K424 D425 V427	D79-N429 PolarHBondContact OD2-ND2 3.24Å; E284-N429 HydrophobicContact CG-CB 4.01Å; E284-N429 WeakPolarHBondContact OE1-CB 3.5Å; E284-N429 PolarHBondContact OE1-ND2 3.49Å; K424-N429 VanDerWaalsContact CE-OD1 3.28Å; K424-N429 WeakPolarHBondContact CE-OD1 3.33Å; K424-N429 PolarHBondContact NZ-O 2.76Å; K424-N429 PolarHBondContact NZ-OD1 2.83Å; D425-N429 CarbonylContact O-C 3.56Å; D425-N429 WeakPolarHBondContact O-CA 3.49Å; D425-N429 PolarHBondContact O-N 3.36Å; V427-N429 VanDerWaalsContact C-N 3.35Å
430	R	87.3	Confident	88.6	Confident	48 Å²	48	30.1 Å²	30.1	18%	0.181	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.6	-176	84.6	-175.1	-173.4	168.2	8.4	112.4	D220 V287 D425 A428 V432	D220-R430 IonicContact OD2-NH2 3.08Å; V287-R430 HydrophobicContact CG1-CB 3.86Å; V287-R430 HydrophobicContact CG1-CG 4.44Å; D425-R430 HydrophobicContact CB-CG 4.38Å; D425-R430 PolarHBondContact N-O 2.65Å; D425-R430 PolarHBondContact O-N 2.69Å; A428-R430 HydrophobicContact CB-CG 4.12Å; A428-R430 PolarHBondContact O-N 3.11Å; A428-R430 VanDerWaalsContact O-N 3.13Å; R430-V432 HydrophobicContact CG-CG2 4.22Å; R430-V432 PolarHBondContact O-N 2.62Å
431	L	89.3	Confident	88.7	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.6	167.7	-172.6	69.1	0	0	0	108.9	D76 N222 P422 S433 Y478	D76-L431 HydrophobicContact CB-CB 4.19Å; D76-L431 VanDerWaalsContact CG-CB 3.42Å; D76-L431 WeakPolarHBondContact OD1-CB 3.42Å; D76-L431 WeakPolarHBondContact OD2-CB 3.3Å; D76-L431 PolarHBondContact OD2-N 3.35Å; N222-L431 PolarHBondContact ND2-O 3.43Å; P422-L431 HydrophobicContact CB-CD1 4.15Å; P422-L431 HydrophobicContact CB-CD2 4.38Å; P422-L431 HydrophobicContact CB-CG 4.25Å; L431-S433 PolarHBondContact O-N 3.42Å; L431-Y478 HydrophobicContact CD1-CD2 4.13Å; L431-Y478 HydrophobicContact CD2-CD2 3.82Å; L431-Y478 HydrophobicContact CD2-CE2 3.66Å
432	V	89.6	Confident	88.7	Confident	16 Å²	16	30.2 Å²	30.2	10%	0.097	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.5	173.2	-167	0	0	0	0	108.8	N222 P422 R423 D425 R430	N222-V432 WeakPolarHBondContact OD1-CA 3.47Å; N222-V432 WeakPolarHBondContact OD1-CG1 3.36Å; P422-V432 CarbonylContact C-O 3.59Å; P422-V432 VanDerWaalsContact CA-O 3.28Å; P422-V432 WeakPolarHBondContact CA-O 3.23Å; R423-V432 PolarHBondContact N-O 2.93Å; R423-V432 WeakPolarHBondContact O-CB 3.49Å; R423-V432 PolarHBondContact O-N 3.34Å; D425-V432 HydrophobicContact CB-CG2 3.76Å; R430-V432 HydrophobicContact CG-CG2 4.22Å; R430-V432 PolarHBondContact O-N 2.62Å
433	S	89.6	Confident	88.8	Confident	12 Å²	12	30.3 Å²	30.3	8%	0.084	16%	0.155	C	C	.	.			trans	-64.7	158.9	-173.1	74.4	0	0	0	0	112.6	N222 F223 R419 L431	N222-S433 WeakPolarHBondContact O-CB 3.32Å; N222-S433 PolarHBondContact O-OG 2.91Å; N222-S433 PolarHBondContact OD1-N 2.88Å; N222-S433 PolarHBondContact OD1-OG 2.94Å; F223-S433 PolarHBondContact O-OG 2.96Å; R419-S433 VanDerWaalsContact CD-O 3.26Å; R419-S433 WeakPolarHBondContact CD-O 3.29Å; L431-S433 PolarHBondContact O-N 3.42Å
434	G	89.8	Confident	88.9	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.133	C	C	.	.			trans	-136.6	154.9	169.5	0	0	0	0	0	109.7	R419 L420 L436 Q437	R419-G434 CarbonylContact O-C 3.54Å; R419-G434 WeakPolarHBondContact O-CA 3.37Å; L420-G434 CarbonylContact O-C 3.58Å; G434-L436 PolarHBondContact O-N 3.38Å; G434-L436 VanDerWaalsContact O-N 3.09Å; G434-Q437 WeakPolarHBondContact O-CB 3.19Å; G434-Q437 PolarHBondContact O-N 3.03Å
435	A	90.4	Very high	89.1	Confident	3 Å²	3	23.2 Å²	23.2	3%	0.025	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.7	-174.5	0	0	0	0	0	114.4	P224 L225 F406 R419 L420 Q437 L438	P224-A435 VanDerWaalsContact O-CA 3.29Å; P224-A435 WeakPolarHBondContact O-CA 3.36Å; P224-A435 PolarHBondContact O-N 2.97Å; L225-A435 HydrophobicContact CD2-CB 3.88Å; L225-A435 WeakPolarHBondContact CD2-O 3.39Å; F406-A435 HydrophobicContact CE1-CB 4.14Å; F406-A435 HydrophobicContact CZ-CB 4.33Å; R419-A435 PolarHBondContact O-N 2.89Å; L420-A435 HydrophobicContact CD2-CB 3.86Å; L420-A435 PolarHBondContact O-N 2.83Å; A435-Q437 VanDerWaalsContact C-N 3.31Å; A435-L438 WeakPolarHBondContact O-CD2 3.17Å; A435-L438 WeakPolarHBondContact O-CG 3.2Å
436	L	90.3	Very high	89.2	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.016	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.9	174.2	-58.8	179.9	0	0	0	113.4	L420 G434 L438 L444 A466 L467 L470 V476	L420-L436 HydrophobicContact CB-CD1 3.92Å; L420-L436 HydrophobicContact CB-CG 3.91Å; L420-L436 VanDerWaalsContact O-CB 3.3Å; L420-L436 WeakPolarHBondContact O-CB 3.32Å; L420-L436 WeakPolarHBondContact O-CG 3.43Å; L420-L436 PolarHBondContact O-N 3.35Å; G434-L436 PolarHBondContact O-N 3.38Å; G434-L436 VanDerWaalsContact O-N 3.09Å; L436-L438 PolarHBondContact O-N 3.35Å; L436-L444 HydrophobicContact CD2-CD2 4.26Å; L436-A466 HydrophobicContact CD1-CB 4.02Å; L436-L467 HydrophobicContact CD2-CD2 4.11Å; L436-L470 HydrophobicContact CB-CD1 4.38Å; L436-L470 HydrophobicContact CD1-CD1 4.12Å; L436-L470 HydrophobicContact CD2-CD1 3.78Å; L436-L470 HydrophobicContact CG-CD1 4.3Å; L436-V476 HydrophobicContact CB-CG1 4.2Å; L436-V476 HydrophobicContact CB-CG2 4.08Å
437	Q	91.1	Very high	89.4	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.093	C	C	.	.			trans	-75.9	67.7	170.7	-166.5	174.1	31.9	0	0	110.3	L73 Q75 P224 N247 P422 G434 A435	L73-Q437 HydrophobicContact CD2-CG 4.39Å; Q75-Q437 VanDerWaalsContact NE2-OE1 3.12Å; Q75-Q437 PolarHBondContact O-NE2 3.19Å; P224-Q437 HydrophobicContact CB-CB 4.22Å; P224-Q437 HydrophobicContact CG-CB 4.32Å; N247-Q437 VanDerWaalsContact OD1-CG 3.22Å; N247-Q437 WeakPolarHBondContact OD1-CG 3.47Å; N247-Q437 PolarHBondContact OD1-NE2 3.39Å; P422-Q437 HydrophobicContact CG-CB 4.08Å; G434-Q437 WeakPolarHBondContact O-CB 3.19Å; G434-Q437 PolarHBondContact O-N 3.03Å; A435-Q437 VanDerWaalsContact C-N 3.31Å
438	L	90.9	Very high	89.4	Confident	6 Å²	6	11.5 Å²	11.5	3%	0.031	7%	0.068	C	C	.	.			trans	-104.5	154.6	-174.5	-61.8	175.9	0	0	0	111.3	P134 L225 A435 L436 T442 I491	P134-L438 HydrophobicContact CB-CD2 4.04Å; L225-L438 HydrophobicContact CD1-CD2 4.04Å; L225-L438 HydrophobicContact CD2-CD2 4.01Å; L225-L438 HydrophobicContact CG-CD2 4.21Å; A435-L438 WeakPolarHBondContact O-CD2 3.17Å; A435-L438 WeakPolarHBondContact O-CG 3.2Å; L436-L438 PolarHBondContact O-N 3.35Å; L438-T442 HydrophobicContact CB-CG2 4.35Å; L438-T442 HydrophobicContact CD1-CG2 4.1Å; L438-I491 HydrophobicContact CB-CD1 4.04Å; L438-I491 HydrophobicContact CB-CG1 4.43Å; L438-I491 HydrophobicContact CD1-CD1 4.26Å
439	A	90.3	Very high	89.5	Confident	3 Å²	3	12 Å²	12	3%	0.025	7%	0.071	C	C	.	.			trans	-64.3	153.3	171.5	0	0	0	0	0	111.7	L73 I133 T249 T442	L73-A439 HydrophobicContact CD1-CB 4.23Å; I133-A439 HydrophobicContact CG2-CB 3.78Å; T249-A439 HydrophobicContact CG2-CB 3.49Å; T249-A439 VanDerWaalsContact CG2-CB 3.49Å; A439-T442 WeakPolarHBondContact O-CB 3.28Å; A439-T442 PolarHBondContact O-N 3.4Å; A439-T442 PolarHBondContact O-OG1 3.24Å
440	S	89.3	Confident	89.2	Confident	60 Å²	60	14 Å²	14	42%	0.42	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	144.4	171.1	-70.8	0	0	0	0	110.9	T442 N490	S440-T442 PolarHBondContact O-N 3.33Å; S440-N490 CarbonylContact C-O 3.51Å
441	S	88.3	Confident	88.8	Confident	33 Å²	33	14.7 Å²	14.7	23%	0.231	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	8.5	179.8	-62.3	0	0	0	0	116.3	N490 R551	S441-N490 WeakPolarHBondContact CA-O 3.45Å; S441-N490 PolarHBondContact N-O 2.93Å; S441-R551 VanDerWaalsContact CB-NH2 3.27Å; S441-R551 PolarHBondContact O-NH1 3.36Å; S441-R551 VanDerWaalsContact O-NH1 3.12Å; S441-R551 PolarHBondContact OG-NH2 2.84Å
442	T	91.2	Very high	88.3	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.			trans	-65	138.2	175.1	-57.7	0	0	0	0	111.4	L438 A439 S440 N492	L438-T442 HydrophobicContact CB-CG2 4.35Å; L438-T442 HydrophobicContact CD1-CG2 4.1Å; A439-T442 WeakPolarHBondContact O-CB 3.28Å; A439-T442 PolarHBondContact O-N 3.4Å; A439-T442 PolarHBondContact O-OG1 3.24Å; S440-T442 PolarHBondContact O-N 3.33Å; T442-N492 PolarHBondContact O-N 2.97Å
443	S	93.1	Very high	87.6	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.8	174.9	-175.3	0	0	0	0	110.7	S404 S405 F406 N492	S404-S443 PolarHBondContact O-N 2.87Å; S405-S443 CarbonylContact C-O 3.55Å; S405-S443 WeakPolarHBondContact CA-O 3.35Å; F406-S443 PolarHBondContact N-O 3.48Å; S443-N492 CarbonylContact C-O 3.53Å; S443-N492 WeakPolarHBondContact CA-O 3.4Å
444	L	93.8	Very high	87.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.1	175.8	179.4	63.4	0	0	0	109.2	F406 L408 L436 L446 L467 L470 I491 N492 V493 L494	F406-L444 HydrophobicContact CB-CD1 4.36Å; F406-L444 HydrophobicContact CD1-CD1 3.55Å; F406-L444 HydrophobicContact CE1-CD1 4.33Å; F406-L444 HydrophobicContact CG-CD1 4.39Å; L408-L444 HydrophobicContact CB-CD1 4.43Å; L436-L444 HydrophobicContact CD2-CD2 4.26Å; L444-L446 HydrophobicContact CD1-CD2 4.08Å; L444-L446 HydrophobicContact CD2-CD2 3.96Å; L444-L446 HydrophobicContact CD2-CG 4.46Å; L444-L446 HydrophobicContact CG-CD2 3.77Å; L444-L446 HydrophobicContact CG-CG 4.24Å; L444-L467 HydrophobicContact CD2-CD2 4.33Å; L444-L470 HydrophobicContact CD2-CD1 4.44Å; L444-L470 HydrophobicContact CD2-CD2 4.27Å; L444-I491 HydrophobicContact CB-CG2 3.69Å; L444-I491 HydrophobicContact CD2-CG2 4.34Å; L444-N492 PolarHBondContact N-O 3.24Å; L444-V493 HydrophobicContact CB-CG2 4.49Å; L444-V493 HydrophobicContact CD2-CG1 4.44Å; L444-V493 HydrophobicContact CD2-CG2 4.27Å; L444-V493 WeakPolarHBondContact O-CA 3.41Å; L444-L494 PolarHBondContact O-N 2.67Å
445	F	92.9	Very high	86.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.1	176.2	-167.3	-76.7	0	0	0	109.5	L394 Y395 F406 Y407 L408 D447 L494 A496	L394-F445 HydrophobicContact CB-CE2 4.48Å; L394-F445 HydrophobicContact CD2-CE2 3.85Å; L394-F445 HydrophobicContact CD2-CZ 4.06Å; L394-F445 HydrophobicContact CG-CE2 4Å; L394-F445 HydrophobicContact CG-CZ 4.45Å; Y395-F445 HydrophobicContact CD2-CB 3.68Å; Y395-F445 HydrophobicContact CD2-CD2 4.29Å; Y395-F445 AromaticContact CD2-CG 3.99Å; Y395-F445 HydrophobicContact CD2-CG 3.99Å; Y395-F445 HydrophobicContact CE2-CB 4.17Å; F406-F445 PolarHBondContact O-N 2.89Å; Y407-F445 HydrophobicContact CD2-CB 4.35Å; Y407-F445 AromaticContact CD2-CD1 3.51Å; Y407-F445 HydrophobicContact CD2-CD1 3.51Å; Y407-F445 HydrophobicContact CD2-CE1 4.16Å; Y407-F445 HydrophobicContact CD2-CG 4.18Å; Y407-F445 AromaticContact CE2-CD1 3.7Å; Y407-F445 HydrophobicContact CE2-CD1 3.7Å; Y407-F445 AromaticContact CE2-CE1 3.92Å; Y407-F445 HydrophobicContact CE2-CE1 3.92Å; L408-F445 PolarHBondContact N-O 3.42Å; F445-D447 HydrophobicContact CD1-CB 4.38Å; F445-D447 HydrophobicContact CE1-CB 4.13Å; F445-L494 HydrophobicContact CD2-CB 4.35Å; F445-L494 HydrophobicContact CD2-CD2 3.71Å; F445-L494 HydrophobicContact CD2-CG 4.15Å; F445-L494 HydrophobicContact CE2-CD2 3.63Å; F445-L494 HydrophobicContact CE2-CG 4.16Å; F445-A496 HydrophobicContact CE1-CB 3.95Å; F445-A496 HydrophobicContact CZ-CB 3.77Å
446	L	90.9	Very high	86.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.4	177.8	-57.6	-174.6	0	0	0	109.1	L408 L444 L467 I471 V493 L494 I495 A496 L503	L408-L446 HydrophobicContact CB-CD2 3.84Å; L408-L446 HydrophobicContact CD2-CD2 3.72Å; L408-L446 HydrophobicContact CG-CD2 4.12Å; L444-L446 HydrophobicContact CD1-CD2 4.08Å; L444-L446 HydrophobicContact CD2-CD2 3.96Å; L444-L446 HydrophobicContact CD2-CG 4.46Å; L444-L446 HydrophobicContact CG-CD2 3.77Å; L444-L446 HydrophobicContact CG-CG 4.24Å; L446-L467 HydrophobicContact CD1-CD2 4.33Å; L446-L467 HydrophobicContact CD2-CD2 4.21Å; L446-I471 HydrophobicContact CD1-CD1 4.36Å; L446-V493 HydrophobicContact CD1-CG1 3.54Å; L446-V493 HydrophobicContact CG-CG1 3.91Å; L446-L494 PolarHBondContact N-O 3.43Å; L446-I495 HydrophobicContact CB-CG1 4.24Å; L446-I495 HydrophobicContact CD1-CG1 4.09Å; L446-I495 WeakPolarHBondContact O-CA 3.34Å; L446-A496 PolarHBondContact O-N 3.49Å; L446-L503 HydrophobicContact CD1-CD1 3.7Å
447	D	88.7	Confident	86.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	98.2	178.3	-167.5	-8.1	0	0	0	110.5	T391 Y407 L408 M410 F445 T449	T391-D447 VanDerWaalsContact CB-OD2 3.31Å; T391-D447 WeakPolarHBondContact CB-OD2 3.45Å; T391-D447 PolarHBondContact OG1-OD2 3.24Å; Y407-D447 HydrophobicContact CE2-CB 3.66Å; Y407-D447 WeakPolarHBondContact OH-CB 3.37Å; Y407-D447 PolarHBondContact OH-OD2 3.38Å; L408-D447 PolarHBondContact O-N 3.1Å; M410-D447 VanDerWaalsContact CB-O 3.3Å; M410-D447 WeakPolarHBondContact CB-O 3.42Å; M410-D447 PolarHBondContact N-O 2.87Å; F445-D447 HydrophobicContact CD1-CB 4.38Å; F445-D447 HydrophobicContact CE1-CB 4.13Å; D447-T449 VanDerWaalsContact C-N 3.34Å; D447-T449 VanDerWaalsContact OD1-CB 3.32Å; D447-T449 WeakPolarHBondContact OD1-CB 3.47Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.31Å; D447-T449 PolarHBondContact OD1-N 3.39Å; D447-T449 PolarHBondContact OD1-OG1 2.9Å
448	E	85.9	Confident	86.1	Confident	17 Å²	17	48.6 Å²	48.6	8%	0.079	28%	0.279	C	S	.	.			trans	-83.6	-7.4	175.3	-62.9	-176	176	0	0	113	M410 Q450 L451 I495 A496 S497 S501 L503	M410-E448 HydrophobicContact CG-CG 4.32Å; E448-Q450 PolarHBondContact O-N 3.12Å; E448-L451 WeakPolarHBondContact O-CB 3.37Å; E448-L451 PolarHBondContact O-N 2.84Å; E448-I495 HydrophobicContact CG-CG2 3.98Å; E448-A496 WeakPolarHBondContact CA-O 3.37Å; E448-A496 WeakPolarHBondContact CB-O 3.25Å; E448-A496 PolarHBondContact N-O 3.44Å; E448-S497 WeakPolarHBondContact OE2-CB 3.32Å; E448-S501 VanDerWaalsContact CD-OG 3.24Å; E448-S501 PolarHBondContact OE1-OG 3.1Å; E448-S501 WeakPolarHBondContact OE2-CA 3.08Å; E448-S501 WeakPolarHBondContact OE2-CB 3.35Å; E448-S501 PolarHBondContact OE2-OG 3.01Å; E448-S501 VanDerWaalsContact OE2-OG 3.07Å; E448-L503 WeakPolarHBondContact OE1-CD1 3.36Å; E448-L503 WeakPolarHBondContact OE1-CG 3.48Å
449	T	81.1	Confident	85.9	Confident	18 Å²	18	51.2 Å²	51.2	11%	0.11	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.2	176.8	71.2	0	0	0	0	112.3	C384 T391 D447 L451 E498	C384-T449 HydrophobicContact CB-CG2 4.33Å; T391-T449 HydrophobicContact CG2-CG2 3.98Å; D447-T449 VanDerWaalsContact C-N 3.34Å; D447-T449 VanDerWaalsContact OD1-CB 3.32Å; D447-T449 WeakPolarHBondContact OD1-CB 3.47Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.31Å; D447-T449 PolarHBondContact OD1-N 3.39Å; D447-T449 PolarHBondContact OD1-OG1 2.9Å; T449-L451 PolarHBondContact O-N 3.03Å; T449-E498 HydrophobicContact CG2-CG 3.8Å
450	Q	80.1	Confident	85.6	Confident	69 Å²	69	51 Å²	51	32%	0.322	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	10.6	177	-62.2	-63.4	-33.8	0	0	113.2	E448	E448-Q450 PolarHBondContact O-N 3.12Å
451	L	78.3	Confident	85.5	Confident	62 Å²	62	52 Å²	52	33%	0.325	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-86.8	119.7	-175.1	-167.1	138.8	0	0	0	110.9	M410 E448 T449 L502	M410-L451 HydrophobicContact CB-CD1 4.28Å; E448-L451 WeakPolarHBondContact O-CB 3.37Å; E448-L451 PolarHBondContact O-N 2.84Å; T449-L451 PolarHBondContact O-N 3.03Å; L451-L502 HydrophobicContact CD1-CD1 3.31Å; L451-L502 HydrophobicContact CD2-CD1 3.07Å; L451-L502 HydrophobicContact CD2-CG 4.5Å; L451-L502 HydrophobicContact CG-CD1 3.73Å
452	E	79	Confident	85.5	Confident	128 Å²	128	57.5 Å²	57.5	60%	0.598	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-102.1	149.4	179.7	-65.2	179.8	160	0	0	111.1	L412 G454	L412-E452 HydrophobicContact CD1-CB 4Å; L412-E452 HydrophobicContact CG-CB 4.48Å; E452-G454 PolarHBondContact O-N 2.88Å
453	P	75.3	Confident	85.4	Confident	135 Å²	135	57.8 Å²	57.8	88%	0.877	32%	0.315	S	S	*	.	S	Bend	trans	-65	120.7	173.6	27.1	-33	0	0	0	110.3
454	G	79.5	Confident	85.2	Confident	53 Å²	53	59.4 Å²	59.4	55%	0.546	32%	0.324	S	S	.	.			trans	-174.4	179.9	178	0	0	0	0	0	112.9	E452	E452-G454 PolarHBondContact O-N 2.88Å
455	Q	80.7	Confident	84.9	Confident	170 Å²	170	63 Å²	63	79%	0.794	35%	0.347	S	S	*	.			trans	-92.5	126.7	-179	-169.4	171	2.6	0	0	110.7
456	L	83.7	Confident	84.8	Confident	62 Å²	62	63.5 Å²	63.5	33%	0.325	35%	0.351	S	S	.	.			trans	-80.6	133.4	169.6	-68.2	173.3	0	0	0	109.7	L412 M415 V461 V464	L412-L456 HydrophobicContact CD2-CD2 4.18Å; M415-L456 HydrophobicContact CB-CD2 3.91Å; L456-V461 HydrophobicContact CB-CG2 4.19Å; L456-V464 HydrophobicContact CD1-CG2 3.91Å
457	D	87.4	Confident	84.7	Confident	90 Å²	90	63.6 Å²	63.6	48%	0.481	35%	0.351	S	S	.	.			trans	-73.4	174.2	172.9	-68.2	-32.6	0	0	0	110.3	N416 T459 G460 V461	N416-D457 HydrophobicContact CB-CB 4.49Å; N416-D457 PolarHBondContact ND2-OD2 3.47Å; N416-D457 PolarHBondContact OD1-N 2.8Å; D457-T459 PolarHBondContact O-N 3.3Å; D457-G460 WeakPolarHBondContact O-CA 3.3Å; D457-G460 PolarHBondContact O-N 2.9Å; D457-V461 WeakPolarHBondContact O-CG2 3.4Å; D457-V461 PolarHBondContact O-N 3.21Å
458	T	86.8	Confident	84.7	Confident	112 Å²	112	63.8 Å²	63.8	69%	0.687	35%	0.353	S	S	*	.	H	α-helix	trans	-55.3	-36.2	174.2	55.3	0	0	0	0	112.2	R462	T458-R462 VanDerWaalsContact O-CG 3.29Å; T458-R462 WeakPolarHBondContact O-CG 3.2Å; T458-R462 PolarHBondContact O-N 3.49Å; T458-R462 VanDerWaalsContact O-N 3.1Å
459	T	86.7	Confident	84.9	Confident	61 Å²	61	64.9 Å²	64.9	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-65.2	-45	171.9	-54	0	0	0	0	111.8	D457 V461 R462 N463	D457-T459 PolarHBondContact O-N 3.3Å; T459-V461 PolarHBondContact O-N 3Å; T459-R462 WeakPolarHBondContact O-CB 3.42Å; T459-R462 PolarHBondContact O-N 3.07Å; T459-N463 WeakPolarHBondContact O-CB 3.42Å; T459-N463 VanDerWaalsContact O-CG 3.28Å; T459-N463 PolarHBondContact O-N 3.01Å
460	G	85.8	Confident	85.3	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-43.7	177.2	0	0	0	0	0	112.8	M415 N416 D457 N463 V464	M415-G460 WeakPolarHBondContact O-CA 3.47Å; N416-G460 WeakPolarHBondContact OD1-CA 3.4Å; D457-G460 WeakPolarHBondContact O-CA 3.3Å; D457-G460 PolarHBondContact O-N 2.9Å; G460-N463 WeakPolarHBondContact O-CB 3.46Å; G460-N463 PolarHBondContact O-N 3.4Å; G460-V464 WeakPolarHBondContact O-CG2 3.17Å; G460-V464 PolarHBondContact O-N 3.35Å
461	V	86.6	Confident	85.6	Confident	79 Å²	79	60.9 Å²	60.9	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-45.8	175.3	177.3	0	0	0	0	111	L456 D457 T459 N463 V464 T465	L456-V461 HydrophobicContact CB-CG2 4.19Å; D457-V461 WeakPolarHBondContact O-CG2 3.4Å; D457-V461 PolarHBondContact O-N 3.21Å; T459-V461 PolarHBondContact O-N 3Å; V461-N463 VanDerWaalsContact C-N 3.29Å; V461-N463 PolarHBondContact O-N 3.48Å; V461-V464 PolarHBondContact O-N 3.13Å; V461-T465 PolarHBondContact O-N 2.66Å; V461-T465 PolarHBondContact O-OG1 3.2Å
462	R	87.7	Confident	86	Confident	149 Å²	149	59 Å²	59	56%	0.562	33%	0.331	S	S	*	.	H	α-helix	trans	-58.6	-41.6	175.1	-75	174.1	175.7	-147.3	-1.6	112	T458 T459 T465 A466 D479	T458-R462 VanDerWaalsContact O-CG 3.29Å; T458-R462 WeakPolarHBondContact O-CG 3.2Å; T458-R462 PolarHBondContact O-N 3.49Å; T458-R462 VanDerWaalsContact O-N 3.1Å; T459-R462 WeakPolarHBondContact O-CB 3.42Å; T459-R462 PolarHBondContact O-N 3.07Å; R462-T465 PolarHBondContact O-N 3.49Å; R462-A466 WeakPolarHBondContact O-CB 3.22Å; R462-A466 PolarHBondContact O-N 3.15Å; R462-D479 IonicContact NH1-OD2 3.12Å; R462-D479 PolarHBondContact NH1-OD2 3.09Å
463	N	90	Very high	86.4	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.032	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-43.6	178	-77.8	-14.8	0	0	0	112	M415 M418 L420 T459 G460 V461 A466 L467	M415-N463 HydrophobicContact CE-CB 3.68Å; M415-N463 PolarHBondContact O-ND2 3.18Å; M418-N463 PolarHBondContact O-ND2 3.06Å; L420-N463 WeakPolarHBondContact CB-OD1 3.48Å; L420-N463 HydrophobicContact CD1-CB 3.62Å; L420-N463 HydrophobicContact CG-CB 4.07Å; T459-N463 WeakPolarHBondContact O-CB 3.42Å; T459-N463 VanDerWaalsContact O-CG 3.28Å; T459-N463 PolarHBondContact O-N 3.01Å; G460-N463 WeakPolarHBondContact O-CB 3.46Å; G460-N463 PolarHBondContact O-N 3.4Å; V461-N463 VanDerWaalsContact C-N 3.29Å; V461-N463 PolarHBondContact O-N 3.48Å; N463-A466 PolarHBondContact O-N 3.22Å; N463-L467 WeakPolarHBondContact O-CG 3.45Å; N463-L467 PolarHBondContact O-N 3.45Å
464	V	87.6	Confident	87.1	Confident	36 Å²	36	51 Å²	51	22%	0.218	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-42.8	174.4	174	0	0	0	0	111.3	M415 L456 G460 V461 A466 L467 G468 L503	M415-V464 HydrophobicContact CE-CG2 3.55Å; L456-V464 HydrophobicContact CD1-CG2 3.91Å; G460-V464 WeakPolarHBondContact O-CG2 3.17Å; G460-V464 PolarHBondContact O-N 3.35Å; V461-V464 PolarHBondContact O-N 3.13Å; V464-A466 VanDerWaalsContact C-N 3.34Å; V464-A466 PolarHBondContact O-N 3.13Å; V464-L467 PolarHBondContact O-N 3.01Å; V464-G468 PolarHBondContact O-N 2.78Å; V464-L503 HydrophobicContact CG1-CD2 4.36Å
465	T	88.9	Confident	87.6	Confident	77 Å²	77	49.8 Å²	49.8	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-42.4	175.6	-55.3	0	0	0	0	111.6	V461 R462 L467 G468 N469	V461-T465 PolarHBondContact O-N 2.66Å; V461-T465 PolarHBondContact O-OG1 3.2Å; R462-T465 PolarHBondContact O-N 3.49Å; T465-L467 PolarHBondContact O-N 3.06Å; T465-G468 PolarHBondContact O-N 2.9Å; T465-N469 PolarHBondContact O-N 3.48Å
466	A	89.2	Confident	88.1	Confident	10 Å²	10	42 Å²	42	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-42	177.1	0	0	0	0	0	112.2	V421 L436 R462 N463 V464 N469 L470	V421-A466 HydrophobicContact CG2-CB 3.41Å; V421-A466 VanDerWaalsContact CG2-CB 3.41Å; L436-A466 HydrophobicContact CD1-CB 4.02Å; R462-A466 WeakPolarHBondContact O-CB 3.22Å; R462-A466 PolarHBondContact O-N 3.15Å; N463-A466 PolarHBondContact O-N 3.22Å; V464-A466 VanDerWaalsContact C-N 3.34Å; V464-A466 PolarHBondContact O-N 3.13Å; A466-N469 PolarHBondContact O-N 2.87Å; A466-L470 WeakPolarHBondContact O-CB 3.27Å; A466-L470 PolarHBondContact O-N 3.07Å
467	L	89.9	Confident	88.4	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-41.2	173.4	-70	172.5	0	0	0	111.8	L408 M410 M415 L420 L436 L444 L446 N463 V464 T465 N469 L470 I471 L503	L408-L467 HydrophobicContact CD2-CD1 4.27Å; L408-L467 HydrophobicContact CD2-CD2 4.22Å; M410-L467 HydrophobicContact CE-CD1 3.8Å; M410-L467 HydrophobicContact SD-CD1 3.68Å; M415-L467 HydrophobicContact CE-CD1 4.14Å; L420-L467 HydrophobicContact CD1-CD1 4.08Å; L420-L467 HydrophobicContact CD1-CD2 4.23Å; L420-L467 HydrophobicContact CD1-CG 3.96Å; L436-L467 HydrophobicContact CD2-CD2 4.11Å; L444-L467 HydrophobicContact CD2-CD2 4.33Å; L446-L467 HydrophobicContact CD1-CD2 4.33Å; L446-L467 HydrophobicContact CD2-CD2 4.21Å; N463-L467 WeakPolarHBondContact O-CG 3.45Å; N463-L467 PolarHBondContact O-N 3.45Å; V464-L467 PolarHBondContact O-N 3.01Å; T465-L467 PolarHBondContact O-N 3.06Å; L467-N469 PolarHBondContact O-N 3.15Å; L467-L470 PolarHBondContact O-N 2.67Å; L467-I471 WeakPolarHBondContact O-CB 3.41Å; L467-I471 WeakPolarHBondContact O-CD1 3.37Å; L467-I471 VanDerWaalsContact O-CG1 3.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.32Å; L467-I471 PolarHBondContact O-N 3.42Å; L467-L503 HydrophobicContact CB-CD2 4Å; L467-L503 HydrophobicContact CD1-CD2 4.35Å
468	G	88.7	Confident	88.6	Confident	5 Å²	5	35.7 Å²	35.7	5%	0.052	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-42.2	174.4	0	0	0	0	0	112.9	V464 T465 I471 T472	V464-G468 PolarHBondContact O-N 2.78Å; T465-G468 PolarHBondContact O-N 2.9Å; G468-I471 PolarHBondContact O-N 3Å; G468-T472 VanDerWaalsContact O-CB 3.31Å; G468-T472 WeakPolarHBondContact O-CB 3.35Å; G468-T472 PolarHBondContact O-N 2.9Å; G468-T472 PolarHBondContact O-OG1 2.71Å
469	N	89.1	Confident	88.7	Confident	39 Å²	39	31.4 Å²	31.4	21%	0.209	16%	0.161	C	C	.	.	H	α-helix	trans	-66.3	-39.4	176.1	-73.6	-8.3	0	0	0	111.8	T465 A466 L467 W473 Q474 D477	T465-N469 PolarHBondContact O-N 3.48Å; A466-N469 PolarHBondContact O-N 2.87Å; L467-N469 PolarHBondContact O-N 3.15Å; N469-W473 WeakPolarHBondContact O-CA 3.33Å; N469-W473 WeakPolarHBondContact O-CB 3.39Å; N469-W473 PolarHBondContact O-N 2.95Å; N469-Q474 PolarHBondContact O-N 2.96Å; N469-D477 PolarHBondContact ND2-OD2 2.88Å
470	L	89.4	Confident	88.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-45.4	176.1	-175.6	155.3	0	0	0	111.7	L436 L444 A466 L467 Q474 V476 I491 V493	L436-L470 HydrophobicContact CB-CD1 4.38Å; L436-L470 HydrophobicContact CD1-CD1 4.12Å; L436-L470 HydrophobicContact CD2-CD1 3.78Å; L436-L470 HydrophobicContact CG-CD1 4.3Å; L444-L470 HydrophobicContact CD2-CD1 4.44Å; L444-L470 HydrophobicContact CD2-CD2 4.27Å; A466-L470 WeakPolarHBondContact O-CB 3.27Å; A466-L470 PolarHBondContact O-N 3.07Å; L467-L470 PolarHBondContact O-N 2.67Å; L470-Q474 WeakPolarHBondContact O-CA 3.33Å; L470-Q474 PolarHBondContact O-N 3.18Å; L470-V476 HydrophobicContact CD1-CG2 4.22Å; L470-I491 HydrophobicContact CD1-CD1 3.69Å; L470-I491 HydrophobicContact CD2-CB 4.3Å; L470-I491 HydrophobicContact CD2-CG2 4.31Å; L470-I491 HydrophobicContact CG-CD1 4.39Å; L470-V493 HydrophobicContact CD2-CG2 3.23Å
471	I	88.3	Confident	88.5	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-45.6	178.8	-71	162.5	0	0	0	111.2	K376 T378 L446 L467 G468 V493 I495 L503 Q507	K376-I471 PolarHBondContact NZ-O 2.9Å; T378-I471 HydrophobicContact CG2-CG2 4.05Å; L446-I471 HydrophobicContact CD1-CD1 4.36Å; L467-I471 WeakPolarHBondContact O-CB 3.41Å; L467-I471 WeakPolarHBondContact O-CD1 3.37Å; L467-I471 VanDerWaalsContact O-CG1 3.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.32Å; L467-I471 PolarHBondContact O-N 3.42Å; G468-I471 PolarHBondContact O-N 3Å; I471-V493 HydrophobicContact CD1-CG1 4.42Å; I471-V493 HydrophobicContact CG1-CB 4.4Å; I471-V493 HydrophobicContact CG1-CG1 4.1Å; I471-V493 HydrophobicContact CG1-CG2 4.26Å; I471-I495 HydrophobicContact CD1-CD1 4.27Å; I471-L503 HydrophobicContact CD1-CD1 3.74Å; I471-Q507 HydrophobicContact CG2-CB 4.33Å; I471-Q507 VanDerWaalsContact CG2-O 3.27Å; I471-Q507 WeakPolarHBondContact CG2-O 3.4Å
472	T	85.4	Confident	88.2	Confident	23 Å²	23	38 Å²	38	14%	0.141	18%	0.182	C	C	.	.	H	α-helix	trans	-80.3	-49.2	-173.5	-55.7	0	0	0	0	112	K376 G468 Q507	K376-T472 WeakPolarHBondContact CE-O 3.3Å; K376-T472 PolarHBondContact NZ-O 3.22Å; G468-T472 VanDerWaalsContact O-CB 3.31Å; G468-T472 WeakPolarHBondContact O-CB 3.35Å; G468-T472 PolarHBondContact O-N 2.9Å; G468-T472 PolarHBondContact O-OG1 2.71Å; T472-Q507 VanDerWaalsContact OG1-CD 3.26Å; T472-Q507 PolarHBondContact OG1-OE1 3.27Å; T472-Q507 VanDerWaalsContact OG1-OE1 3.1Å
473	W	87.8	Confident	88.2	Confident	92 Å²	92	35.2 Å²	35.2	35%	0.348	18%	0.175	S	C	.	.	H	α-helix	trans	-111	-6.9	-167	-55.1	113.2	0	0	0	113.5	V371 N469 K475	V371-W473 HydrophobicContact CG1-CD2 4.5Å; V371-W473 HydrophobicContact CG1-CE3 3.78Å; V371-W473 HydrophobicContact CG1-CZ3 3.93Å; N469-W473 WeakPolarHBondContact O-CA 3.33Å; N469-W473 WeakPolarHBondContact O-CB 3.39Å; N469-W473 PolarHBondContact O-N 2.95Å; W473-K475 HydrophobicContact CB-CD 3.74Å; W473-K475 HydrophobicContact CB-CG 3.81Å; W473-K475 HydrophobicContact CG-CD 4.41Å; W473-K475 PolarHBondContact O-N 3.29Å
474	Q	89.5	Confident	88	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.019	20%	0.202	C	C	.	.	S	Bend	trans	51.4	49.8	-176.8	-72	-79	-28.3	0	0	109.9	V365 R368 P373 K376 N469 L470 C489 I491	V365-Q474 HydrophobicContact CG2-CB 4.2Å; V365-Q474 HydrophobicContact CG2-CG 3.77Å; R368-Q474 PolarHBondContact NH1-O 3.42Å; R368-Q474 PolarHBondContact NH2-O 3.31Å; P373-Q474 HydrophobicContact CB-CB 4Å; P373-Q474 HydrophobicContact CB-CG 4.19Å; P373-Q474 HydrophobicContact CG-CB 4.1Å; P373-Q474 HydrophobicContact CG-CG 4.17Å; K376-Q474 HydrophobicContact CB-CG 4.2Å; K376-Q474 HydrophobicContact CD-CG 4.5Å; N469-Q474 PolarHBondContact O-N 2.96Å; L470-Q474 WeakPolarHBondContact O-CA 3.33Å; L470-Q474 PolarHBondContact O-N 3.18Å; Q474-C489 WeakPolarHBondContact CB-O 2.95Å; Q474-C489 PolarHBondContact O-N 2.85Å; Q474-C489 VanDerWaalsContact O-O 3.06Å; Q474-C489 PolarHBondContact O-SG 2.79Å; Q474-C489 PolarHBondContact OE1-O 2.95Å; Q474-I491 PolarHBondContact NE2-O 2.99Å; Q474-I491 PolarHBondContact OE1-O 2.85Å
475	K	90.4	Very high	88	Confident	26 Å²	26	42.8 Å²	42.8	11%	0.113	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.6	178.2	77.8	-170.6	-169.5	172.9	0	110.7	W473 E486 F487	W473-K475 HydrophobicContact CB-CD 3.74Å; W473-K475 HydrophobicContact CB-CG 3.81Å; W473-K475 HydrophobicContact CG-CD 4.41Å; W473-K475 PolarHBondContact O-N 3.29Å; K475-E486 HydrophobicContact CD-CB 4.37Å; K475-E486 IonicContact NZ-OE1 3.11Å; K475-E486 PolarHBondContact NZ-OE1 3.16Å; K475-E486 IonicContact NZ-OE2 2.91Å; K475-E486 PolarHBondContact NZ-OE2 3.45Å; K475-F487 CarbonylContact C-O 3.44Å; K475-F487 VanDerWaalsContact CA-O 3.24Å; K475-F487 WeakPolarHBondContact CA-O 3.28Å
476	V	90.8	Very high	88.1	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.6	174.2	-175.7	0	0	0	0	108.2	L436 L470 Y478 F487 C489	L436-V476 HydrophobicContact CB-CG1 4.2Å; L436-V476 HydrophobicContact CB-CG2 4.08Å; L470-V476 HydrophobicContact CD1-CG2 4.22Å; V476-Y478 HydrophobicContact CB-CD1 4.41Å; V476-Y478 HydrophobicContact CB-CE1 4.05Å; V476-Y478 HydrophobicContact CG1-CD1 3.98Å; V476-Y478 HydrophobicContact CG1-CE1 3.79Å; V476-F487 PolarHBondContact N-O 3.23Å; V476-F487 PolarHBondContact O-N 3.39Å; V476-C489 HydrophobicContact CG2-CB 4.49Å
477	D	91.3	Very high	88.1	Confident	19 Å²	19	46 Å²	46	10%	0.102	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	105.1	-174.7	-51.4	-41.7	0	0	0	109.5	V421 N469 Q484 M485 E486	V421-D477 WeakPolarHBondContact CG1-O 3.49Å; N469-D477 PolarHBondContact ND2-OD2 2.88Å; D477-Q484 HydrophobicContact CB-CB 4.46Å; D477-M485 CarbonylContact C-O 3.58Å; D477-M485 WeakPolarHBondContact CA-O 3.37Å; D477-E486 WeakPolarHBondContact OD1-CG 3.41Å
478	Y	91	Very high	88.1	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.3	-176	-73.8	17.8	0	0	0	110.2	N247 P422 L431 V476 F480 Q484 M485 F487	N247-Y478 PolarHBondContact ND2-OH 3.05Å; N247-Y478 PolarHBondContact OD1-OH 3.26Å; P422-Y478 HydrophobicContact CB-CD1 4.11Å; P422-Y478 HydrophobicContact CB-CD2 4Å; P422-Y478 HydrophobicContact CB-CE1 4.18Å; P422-Y478 HydrophobicContact CB-CE2 4.07Å; P422-Y478 HydrophobicContact CB-CG 4.03Å; P422-Y478 HydrophobicContact CG-CD1 3.88Å; P422-Y478 HydrophobicContact CG-CD2 4.38Å; P422-Y478 HydrophobicContact CG-CE1 3.54Å; P422-Y478 HydrophobicContact CG-CE2 4.09Å; P422-Y478 HydrophobicContact CG-CG 4.29Å; L431-Y478 HydrophobicContact CD1-CD2 4.13Å; L431-Y478 HydrophobicContact CD2-CD2 3.82Å; L431-Y478 HydrophobicContact CD2-CE2 3.66Å; V476-Y478 HydrophobicContact CB-CD1 4.41Å; V476-Y478 HydrophobicContact CB-CE1 4.05Å; V476-Y478 HydrophobicContact CG1-CD1 3.98Å; V476-Y478 HydrophobicContact CG1-CE1 3.79Å; Y478-F480 PolarHBondContact O-N 3.41Å; Y478-Q484 WeakPolarHBondContact O-CA 3.3Å; Y478-M485 PolarHBondContact N-O 3.49Å; Y478-M485 PolarHBondContact O-N 3.44Å; Y478-M485 VanDerWaalsContact O-N 3.09Å; Y478-F487 AromaticContact CD1-CD2 3.68Å; Y478-F487 HydrophobicContact CD1-CD2 3.68Å; Y478-F487 HydrophobicContact CD1-CE2 4.32Å; Y478-F487 HydrophobicContact CD1-CG 4.5Å; Y478-F487 AromaticContact CD2-CD2 3.48Å; Y478-F487 HydrophobicContact CD2-CD2 3.48Å; Y478-F487 VanDerWaalsContact CD2-CD2 3.48Å; Y478-F487 AromaticContact CD2-CE2 3.34Å; Y478-F487 HydrophobicContact CD2-CE2 3.34Å; Y478-F487 HydrophobicContact CD2-CG 4.43Å; Y478-F487 HydrophobicContact CD2-CZ 4.22Å; Y478-F487 HydrophobicContact CE1-CB 4.3Å; Y478-F487 AromaticContact CE1-CD2 3.99Å; Y478-F487 HydrophobicContact CE1-CD2 3.99Å; Y478-F487 HydrophobicContact CE1-CG 4.42Å; Y478-F487 AromaticContact CE2-CD2 3.81Å; Y478-F487 HydrophobicContact CE2-CD2 3.81Å; Y478-F487 AromaticContact CE2-CE2 3.91Å; Y478-F487 HydrophobicContact CE2-CE2 3.91Å; Y478-F487 HydrophobicContact CE2-CG 4.34Å; Y478-F487 AromaticContact CG-CD2 3.41Å; Y478-F487 HydrophobicContact CG-CD2 3.41Å; Y478-F487 VanDerWaalsContact CG-CD2 3.41Å; Y478-F487 AromaticContact CG-CE2 3.58Å; Y478-F487 HydrophobicContact CG-CE2 3.58Å
479	D	89	Confident	88.2	Confident	22 Å²	22	50.3 Å²	50.3	12%	0.118	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	106	-175.5	-169.3	-9.1	0	0	0	110.6	P422 R423 K424 R462 N481	P422-D479 PolarHBondContact O-N 3Å; R423-D479 CarbonylContact C-O 3.55Å; R423-D479 VanDerWaalsContact CA-O 3.25Å; R423-D479 WeakPolarHBondContact CA-O 3.32Å; R423-D479 HydrophobicContact CB-CB 4.41Å; R423-D479 HydrophobicContact CG-CB 4.31Å; K424-D479 PolarHBondContact N-O 3.2Å; R462-D479 IonicContact NH1-OD2 3.12Å; R462-D479 PolarHBondContact NH1-OD2 3.09Å; D479-N481 VanDerWaalsContact C-N 3.3Å; D479-N481 VanDerWaalsContact OD1-CA 3.31Å; D479-N481 WeakPolarHBondContact OD1-CA 3.45Å; D479-N481 PolarHBondContact OD1-N 3.48Å
480	F	86.3	Confident	88.2	Confident	29 Å²	29	49.8 Å²	49.8	13%	0.127	24%	0.24	C	C	.	.			trans	-95.5	26	172.8	-69.6	-96.9	0	0	0	111.9	K424 Y426 Y478 F482 H483 M485 F487	K424-F480 HydrophobicContact CB-CD1 3.54Å; K424-F480 HydrophobicContact CB-CE1 3.99Å; K424-F480 HydrophobicContact CB-CG 4.18Å; K424-F480 HydrophobicContact CD-CD1 4.47Å; K424-F480 HydrophobicContact CD-CE1 4.3Å; K424-F480 HydrophobicContact CG-CD1 3.9Å; K424-F480 HydrophobicContact CG-CE1 4.23Å; Y426-F480 WeakPolarHBondContact CE2-O 3.13Å; Y426-F480 PolarHBondContact OH-O 3.23Å; Y478-F480 PolarHBondContact O-N 3.41Å; F480-F482 PolarHBondContact O-N 2.85Å; F480-H483 WeakPolarHBondContact CA-O 3.41Å; F480-H483 WeakPolarHBondContact CB-CE1 3.44Å; F480-H483 WeakPolarHBondContact CB-O 3.37Å; F480-H483 AromaticContact CD2-NE2 3.94Å; F480-H483 AromaticContact CG-CE1 3.82Å; F480-H483 AromaticContact CG-NE2 3.69Å; F480-H483 PolarHBondContact N-O 2.95Å; F480-M485 HydrophobicContact CD2-CB 4.16Å; F480-M485 HydrophobicContact CD2-CG 3.73Å; F480-M485 HydrophobicContact CD2-SD 4.29Å; F480-M485 HydrophobicContact CE2-CB 3.8Å; F480-M485 HydrophobicContact CE2-CE 3.7Å; F480-M485 HydrophobicContact CE2-CG 3.63Å; F480-M485 HydrophobicContact CE2-SD 3.87Å; F480-M485 HydrophobicContact CZ-CE 3.74Å; F480-M485 HydrophobicContact CZ-CG 4.49Å; F480-M485 HydrophobicContact CZ-SD 4.15Å; F480-F487 HydrophobicContact CE2-CE2 4.35Å
481	N	82.4	Confident	88.3	Confident	63 Å²	63	49.9 Å²	49.9	34%	0.337	24%	0.241	S	C	.	.	S	Bend	trans	64.6	-48	-176.5	-57.3	-50.2	0	0	0	115.2	R423 K424 Y426 D479	R423-N481 VanDerWaalsContact CZ-OD1 3.24Å; R423-N481 PolarHBondContact NE-OD1 2.96Å; R423-N481 PolarHBondContact NH2-OD1 3.49Å; K424-N481 PolarHBondContact O-ND2 3.18Å; K424-N481 VanDerWaalsContact O-ND2 3.16Å; Y426-N481 WeakPolarHBondContact CD2-ND2 3.46Å; Y426-N481 HydrophobicContact CE2-CB 4.18Å; Y426-N481 WeakPolarHBondContact CE2-ND2 3.45Å; D479-N481 VanDerWaalsContact C-N 3.3Å; D479-N481 VanDerWaalsContact OD1-CA 3.31Å; D479-N481 WeakPolarHBondContact OD1-CA 3.45Å; D479-N481 PolarHBondContact OD1-N 3.48Å
482	F	79.7	Confident	88.4	Confident	186 Å²	186	50 Å²	50	82%	0.816	24%	0.242	S	C	*	.	S	Bend	trans	-100.3	-24.7	-178.2	-59.4	-75.3	0	0	0	113.2	F480	F480-F482 PolarHBondContact O-N 2.85Å
483	H	86.9	Confident	88.8	Confident	91 Å²	91	48.9 Å²	48.9	42%	0.421	24%	0.235	S	C	.	.			trans	-142.4	159.7	177.5	66.4	-77.9	0	0	0	109.9	F480	F480-H483 WeakPolarHBondContact CA-O 3.41Å; F480-H483 WeakPolarHBondContact CB-CE1 3.44Å; F480-H483 WeakPolarHBondContact CB-O 3.37Å; F480-H483 AromaticContact CD2-NE2 3.94Å; F480-H483 AromaticContact CG-CE1 3.82Å; F480-H483 AromaticContact CG-NE2 3.69Å; F480-H483 PolarHBondContact N-O 2.95Å
484	Q	86	Confident	88.9	Confident	130 Å²	130	44.5 Å²	44.5	61%	0.607	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111	132.6	173	-69.6	179.7	-21.3	0	0	108.5	D477 Y478	D477-Q484 HydrophobicContact CB-CB 4.46Å; Y478-Q484 WeakPolarHBondContact O-CA 3.3Å
485	M	89	Confident	88.9	Confident	70 Å²	70	44.4 Å²	44.4	35%	0.345	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.4	173.2	-59.2	-163.4	-17.3	0	0	110	D477 Y478 F480 F487	D477-M485 CarbonylContact C-O 3.58Å; D477-M485 WeakPolarHBondContact CA-O 3.37Å; Y478-M485 PolarHBondContact N-O 3.49Å; Y478-M485 PolarHBondContact O-N 3.44Å; Y478-M485 VanDerWaalsContact O-N 3.09Å; F480-M485 HydrophobicContact CD2-CB 4.16Å; F480-M485 HydrophobicContact CD2-CG 3.73Å; F480-M485 HydrophobicContact CD2-SD 4.29Å; F480-M485 HydrophobicContact CE2-CB 3.8Å; F480-M485 HydrophobicContact CE2-CE 3.7Å; F480-M485 HydrophobicContact CE2-CG 3.63Å; F480-M485 HydrophobicContact CE2-SD 3.87Å; F480-M485 HydrophobicContact CZ-CE 3.74Å; F480-M485 HydrophobicContact CZ-CG 4.49Å; F480-M485 HydrophobicContact CZ-SD 4.15Å; M485-F487 HydrophobicContact CB-CD2 4.47Å; M485-F487 HydrophobicContact CB-CE2 3.87Å; M485-F487 HydrophobicContact CB-CZ 4.49Å; M485-F487 HydrophobicContact CE-CE1 4.3Å; M485-F487 HydrophobicContact CE-CE2 3.62Å; M485-F487 HydrophobicContact CE-CZ 3.27Å; M485-F487 WeakPolarHBondContact O-CD2 3.49Å
486	E	89.9	Confident	88.9	Confident	118 Å²	118	43.2 Å²	43.2	55%	0.551	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.2	-177.1	-46.6	-167.1	156.8	0	0	110.4	K475 D477	K475-E486 HydrophobicContact CD-CB 4.37Å; K475-E486 IonicContact NZ-OE1 3.11Å; K475-E486 PolarHBondContact NZ-OE1 3.16Å; K475-E486 IonicContact NZ-OE2 2.91Å; K475-E486 PolarHBondContact NZ-OE2 3.45Å; D477-E486 WeakPolarHBondContact OD1-CG 3.41Å
487	F	89.9	Confident	88.6	Confident	36 Å²	36	43 Å²	43	16%	0.158	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.6	175.5	-72.1	-84.4	0	0	0	110.9	L246 K475 V476 Y478 F480 M485	L246-F487 HydrophobicContact CB-CE1 4.21Å; L246-F487 HydrophobicContact CD1-CE1 3.68Å; L246-F487 HydrophobicContact CD1-CZ 3.6Å; K475-F487 CarbonylContact C-O 3.44Å; K475-F487 VanDerWaalsContact CA-O 3.24Å; K475-F487 WeakPolarHBondContact CA-O 3.28Å; V476-F487 PolarHBondContact N-O 3.23Å; V476-F487 PolarHBondContact O-N 3.39Å; Y478-F487 AromaticContact CD1-CD2 3.68Å; Y478-F487 HydrophobicContact CD1-CD2 3.68Å; Y478-F487 HydrophobicContact CD1-CE2 4.32Å; Y478-F487 HydrophobicContact CD1-CG 4.5Å; Y478-F487 AromaticContact CD2-CD2 3.48Å; Y478-F487 HydrophobicContact CD2-CD2 3.48Å; Y478-F487 VanDerWaalsContact CD2-CD2 3.48Å; Y478-F487 AromaticContact CD2-CE2 3.34Å; Y478-F487 HydrophobicContact CD2-CE2 3.34Å; Y478-F487 HydrophobicContact CD2-CG 4.43Å; Y478-F487 HydrophobicContact CD2-CZ 4.22Å; Y478-F487 HydrophobicContact CE1-CB 4.3Å; Y478-F487 AromaticContact CE1-CD2 3.99Å; Y478-F487 HydrophobicContact CE1-CD2 3.99Å; Y478-F487 HydrophobicContact CE1-CG 4.42Å; Y478-F487 AromaticContact CE2-CD2 3.81Å; Y478-F487 HydrophobicContact CE2-CD2 3.81Å; Y478-F487 AromaticContact CE2-CE2 3.91Å; Y478-F487 HydrophobicContact CE2-CE2 3.91Å; Y478-F487 HydrophobicContact CE2-CG 4.34Å; Y478-F487 AromaticContact CG-CD2 3.41Å; Y478-F487 HydrophobicContact CG-CD2 3.41Å; Y478-F487 VanDerWaalsContact CG-CD2 3.41Å; Y478-F487 AromaticContact CG-CE2 3.58Å; Y478-F487 HydrophobicContact CG-CE2 3.58Å; F480-F487 HydrophobicContact CE2-CE2 4.35Å; M485-F487 HydrophobicContact CB-CD2 4.47Å; M485-F487 HydrophobicContact CB-CE2 3.87Å; M485-F487 HydrophobicContact CB-CZ 4.49Å; M485-F487 HydrophobicContact CE-CE1 4.3Å; M485-F487 HydrophobicContact CE-CE2 3.62Å; M485-F487 HydrophobicContact CE-CZ 3.27Å; M485-F487 WeakPolarHBondContact O-CD2 3.49Å
488	P	90	Very high	88	Confident	81 Å²	81	47 Å²	47	53%	0.526	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	133.8	176.6	27.6	-33.3	0	0	0	111.1	R368	R368-P488 VanDerWaalsContact NH1-CB 3.33Å
489	C	89.2	Confident	87.1	Confident	16 Å²	16	48.7 Å²	48.7	11%	0.108	25%	0.248	C	C	.	.			trans	-123.7	165.1	175.4	67	0	0	0	0	112	R368 Q474 V476 I491	R368-C489 PolarHBondContact NH2-O 3.11Å; Q474-C489 WeakPolarHBondContact CB-O 2.95Å; Q474-C489 PolarHBondContact O-N 2.85Å; Q474-C489 VanDerWaalsContact O-O 3.06Å; Q474-C489 PolarHBondContact O-SG 2.79Å; Q474-C489 PolarHBondContact OE1-O 2.95Å; V476-C489 HydrophobicContact CG2-CB 4.49Å; C489-I491 HydrophobicContact CB-CD1 3.95Å; C489-I491 HydrophobicContact CB-CG1 4.21Å
490	N	90.9	Very high	86.2	Confident	28 Å²	28	57.3 Å²	57.3	15%	0.15	28%	0.279	C	S	.	.			trans	-131.7	86	173.4	-178.1	9.1	0	0	0	107.7	V365 S440 S441	V365-N490 HydrophobicContact CB-CB 4.45Å; V365-N490 PolarHBondContact N-OD1 3.49Å; S440-N490 CarbonylContact C-O 3.51Å; S441-N490 WeakPolarHBondContact CA-O 3.45Å; S441-N490 PolarHBondContact N-O 2.93Å
491	I	91.1	Very high	85.3	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.277	C	S	.	.			trans	-120.8	133	-172.3	-62.6	167.1	0	0	0	108.4	L438 L444 L470 Q474 C489 V493	L438-I491 HydrophobicContact CB-CD1 4.04Å; L438-I491 HydrophobicContact CB-CG1 4.43Å; L438-I491 HydrophobicContact CD1-CD1 4.26Å; L444-I491 HydrophobicContact CB-CG2 3.69Å; L444-I491 HydrophobicContact CD2-CG2 4.34Å; L470-I491 HydrophobicContact CD1-CD1 3.69Å; L470-I491 HydrophobicContact CD2-CB 4.3Å; L470-I491 HydrophobicContact CD2-CG2 4.31Å; L470-I491 HydrophobicContact CG-CD1 4.39Å; Q474-I491 PolarHBondContact NE2-O 2.99Å; Q474-I491 PolarHBondContact OE1-O 2.85Å; C489-I491 HydrophobicContact CB-CD1 3.95Å; C489-I491 HydrophobicContact CB-CG1 4.21Å; I491-V493 HydrophobicContact CG2-CG2 4.36Å
492	N	90.9	Very high	84.5	Confident	6 Å²	6	59 Å²	59	3%	0.032	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	112.1	-178.4	-163.7	18.7	0	0	0	110.2	H360 S363 T442 S443 L444	H360-N492 PolarHBondContact CE1-OD1 3.33Å; H360-N492 PolarHBondContact ND1-OD1 2.97Å; H360-N492 VanDerWaalsContact ND1-OD1 3.15Å; H360-N492 PolarHBondContact NE2-ND2 3.22Å; H360-N492 PolarHBondContact NE2-OD1 3.42Å; H360-N492 PolarHBondContact O-ND2 3.36Å; H360-N492 PolarHBondContact O-OD1 3.04Å; S363-N492 PolarHBondContact OG-OD1 3.48Å; T442-N492 PolarHBondContact O-N 2.97Å; S443-N492 CarbonylContact C-O 3.53Å; S443-N492 WeakPolarHBondContact CA-O 3.4Å; L444-N492 PolarHBondContact N-O 3.24Å
493	V	91.8	Very high	84	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.4	-170.7	-169.7	0	0	0	0	112	H360 T378 L379 L444 L446 L470 I471 I491 I495	H360-V493 PolarHBondContact CE1-O 2.83Å; T378-V493 HydrophobicContact CG2-CB 4Å; T378-V493 HydrophobicContact CG2-CG2 4.37Å; L379-V493 PolarHBondContact N-O 2.81Å; L444-V493 HydrophobicContact CB-CG2 4.49Å; L444-V493 HydrophobicContact CD2-CG1 4.44Å; L444-V493 HydrophobicContact CD2-CG2 4.27Å; L444-V493 WeakPolarHBondContact O-CA 3.41Å; L446-V493 HydrophobicContact CD1-CG1 3.54Å; L446-V493 HydrophobicContact CG-CG1 3.91Å; L470-V493 HydrophobicContact CD2-CG2 3.23Å; I471-V493 HydrophobicContact CD1-CG1 4.42Å; I471-V493 HydrophobicContact CG1-CB 4.4Å; I471-V493 HydrophobicContact CG1-CG1 4.1Å; I471-V493 HydrophobicContact CG1-CG2 4.26Å; I491-V493 HydrophobicContact CG2-CG2 4.36Å; V493-I495 HydrophobicContact CG1-CG1 4.21Å
494	L	91.1	Very high	82.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.5	171.5	-176.7	57.9	0	0	0	109	L357 L379 L381 L444 F445 L446	L357-L494 HydrophobicContact CD1-CD1 4.25Å; L357-L494 HydrophobicContact CD1-CD2 3.87Å; L379-L494 HydrophobicContact CB-CD1 3.93Å; L379-L494 HydrophobicContact CD2-CD1 3.83Å; L379-L494 HydrophobicContact CG-CD1 3.91Å; L381-L494 HydrophobicContact CD1-CD1 4.05Å; L381-L494 HydrophobicContact CG-CD1 4.16Å; L444-L494 PolarHBondContact O-N 2.67Å; F445-L494 HydrophobicContact CD2-CB 4.35Å; F445-L494 HydrophobicContact CD2-CD2 3.71Å; F445-L494 HydrophobicContact CD2-CG 4.15Å; F445-L494 HydrophobicContact CE2-CD2 3.63Å; F445-L494 HydrophobicContact CE2-CG 4.16Å; L446-L494 PolarHBondContact N-O 3.43Å
495	I	90.4	Very high	80.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.9	177.8	-57.3	160.4	0	0	0	108.1	L379 N380 L381 L446 E448 I471 V493 L503	L379-I495 PolarHBondContact O-N 3.28Å; N380-I495 WeakPolarHBondContact CA-O 3.06Å; N380-I495 HydrophobicContact CB-CB 4.16Å; N380-I495 HydrophobicContact CB-CD1 4.44Å; L381-I495 PolarHBondContact N-O 3.32Å; L446-I495 HydrophobicContact CB-CG1 4.24Å; L446-I495 HydrophobicContact CD1-CG1 4.09Å; L446-I495 WeakPolarHBondContact O-CA 3.34Å; E448-I495 HydrophobicContact CG-CG2 3.98Å; I471-I495 HydrophobicContact CD1-CD1 4.27Å; V493-I495 HydrophobicContact CG1-CG1 4.21Å; I495-L503 HydrophobicContact CD1-CD1 3.92Å; I495-L503 HydrophobicContact CG1-CD1 4.22Å
496	A	88.9	Confident	78.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.9	168.6	0	0	0	0	0	108.8	T391 F445 L446 E448	T391-A496 HydrophobicContact CG2-CB 4.08Å; F445-A496 HydrophobicContact CE1-CB 3.95Å; F445-A496 HydrophobicContact CZ-CB 3.77Å; L446-A496 PolarHBondContact O-N 3.49Å; E448-A496 WeakPolarHBondContact CA-O 3.37Å; E448-A496 WeakPolarHBondContact CB-O 3.25Å; E448-A496 PolarHBondContact N-O 3.44Å
497	S	85.3	Confident	76.8	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.1	-177.3	59.7	0	0	0	0	111.8	N380 L381 S382 G383 C384 E448 G499	N380-S497 PolarHBondContact OD1-OG 3.47Å; L381-S497 PolarHBondContact O-N 2.87Å; L381-S497 PolarHBondContact O-OG 2.84Å; S382-S497 CarbonylContact C-O 3.43Å; S382-S497 VanDerWaalsContact CA-O 3.27Å; S382-S497 WeakPolarHBondContact CA-O 3.46Å; S382-S497 WeakPolarHBondContact CA-OG 3.19Å; G383-S497 PolarHBondContact N-O 2.81Å; C384-S497 PolarHBondContact N-O 2.96Å; E448-S497 WeakPolarHBondContact OE2-CB 3.32Å; S497-G499 PolarHBondContact OG-O 3.2Å
498	E	78.7	Confident	75.2	Confident	104 Å²	104	44.1 Å²	44.1	49%	0.486	26%	0.258	S	S	.	.	S	Bend	trans	-75.5	-36.4	172.5	-64	-169.6	159	0	0	111.1	G383 A386 T449	G383-E498 WeakPolarHBondContact CA-O 3.31Å; G383-E498 PolarHBondContact N-O 3.37Å; A386-E498 WeakPolarHBondContact CB-OE1 3.23Å; T449-E498 HydrophobicContact CG2-CG 3.8Å
499	G	72.3	Confident	74	Confident	38 Å²	38	41.9 Å²	41.9	39%	0.392	24%	0.242	S	C	.	.	S	Bend	trans	-141.4	-128	-175.6	0	0	0	0	0	113.1	S382 S497	S382-G499 WeakPolarHBondContact CB-O 3.39Å; S497-G499 PolarHBondContact OG-O 3.2Å
500	R	69.2	Low	73.1	Confident	203 Å²	203	41.1 Å²	41.1	77%	0.766	24%	0.237	S	C	*	.	S	Bend	trans	-77.5	125.2	176.3	-173.1	179.4	-176.5	-177.6	1.2	109.3	P505	R500-P505 VanDerWaalsContact NH2-CB 3.27Å
501	S	68	Low	72.7	Confident	14 Å²	14	41.5 Å²	41.5	10%	0.098	24%	0.237	C	C	.	.			trans	-64.4	144	178.5	165.1	0	0	0	0	112.7	N380 E448 L503	N380-S501 WeakPolarHBondContact ND2-CB 3.31Å; E448-S501 VanDerWaalsContact CD-OG 3.24Å; E448-S501 PolarHBondContact OE1-OG 3.1Å; E448-S501 WeakPolarHBondContact OE2-CA 3.08Å; E448-S501 WeakPolarHBondContact OE2-CB 3.35Å; E448-S501 PolarHBondContact OE2-OG 3.01Å; E448-S501 VanDerWaalsContact OE2-OG 3.07Å; S501-L503 PolarHBondContact OG-N 3.16Å
502	L	66.3	Low	72.4	Confident	114 Å²	114	41.5 Å²	41.5	60%	0.597	24%	0.237	S	C	*	.	S	Bend	trans	-83.7	-22.3	178	-76.3	171.6	0	0	0	113.2	L451	L451-L502 HydrophobicContact CD1-CD1 3.31Å; L451-L502 HydrophobicContact CD2-CD1 3.07Å; L451-L502 HydrophobicContact CD2-CG 4.5Å; L451-L502 HydrophobicContact CG-CD1 3.73Å
503	L	68.4	Low	72	Confident	10 Å²	10	42.9 Å²	42.9	5%	0.052	24%	0.243	C	C	.	.	S	Bend	trans	-62.5	141.7	167.2	-62.1	168.2	0	0	0	107.6	M410 L446 E448 V464 L467 I471 I495 S501 P505	M410-L503 HydrophobicContact CE-CD2 4.42Å; L446-L503 HydrophobicContact CD1-CD1 3.7Å; E448-L503 WeakPolarHBondContact OE1-CD1 3.36Å; E448-L503 WeakPolarHBondContact OE1-CG 3.48Å; V464-L503 HydrophobicContact CG1-CD2 4.36Å; L467-L503 HydrophobicContact CB-CD2 4Å; L467-L503 HydrophobicContact CD1-CD2 4.35Å; I471-L503 HydrophobicContact CD1-CD1 3.74Å; I495-L503 HydrophobicContact CD1-CD1 3.92Å; I495-L503 HydrophobicContact CG1-CD1 4.22Å; S501-L503 PolarHBondContact OG-N 3.16Å; L503-P505 VanDerWaalsContact O-N 3.15Å
504	P	53.8	Low	71.5	Confident	46 Å²	46	43 Å²	43	30%	0.299	24%	0.244	S	C	.	.			trans	-52.1	124.9	-155.8	-26.4	32.1	0	0	0	112.3	G506 Q507	P504-G506 PolarHBondContact O-N 3.31Å; P504-Q507 VanDerWaalsContact CB-CD 3.45Å; P504-Q507 HydrophobicContact CB-CG 4.11Å; P504-Q507 VanDerWaalsContact CG-OE1 3.32Å; P504-Q507 PolarHBondContact O-N 2.95Å; P504-Q507 VanDerWaalsContact O-N 3.08Å
505	P	41.9	Very low	71	Confident	86 Å²	86	46.8 Å²	46.8	56%	0.558	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	113.5	-171.4	22.8	-32	0	0	0	110	R500 L503	R500-P505 VanDerWaalsContact NH2-CB 3.27Å; L503-P505 VanDerWaalsContact O-N 3.15Å
506	G	50.5	Low	70.3	Confident	77 Å²	77	49.2 Å²	49.2	79%	0.794	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.5	-5.4	-175.1	0	0	0	0	0	114.8	P504	P504-G506 PolarHBondContact O-N 3.31Å
507	Q	53.6	Low	69.5	Low	68 Å²	68	56.6 Å²	56.6	32%	0.318	31%	0.312	S	S	.	.			trans	-100.1	-16.6	-176.7	-68.4	179.4	5.8	0	0	115.1	I471 T472 P504 D509	I471-Q507 HydrophobicContact CG2-CB 4.33Å; I471-Q507 VanDerWaalsContact CG2-O 3.27Å; I471-Q507 WeakPolarHBondContact CG2-O 3.4Å; T472-Q507 VanDerWaalsContact OG1-CD 3.26Å; T472-Q507 PolarHBondContact OG1-OE1 3.27Å; T472-Q507 VanDerWaalsContact OG1-OE1 3.1Å; P504-Q507 VanDerWaalsContact CB-CD 3.45Å; P504-Q507 HydrophobicContact CB-CG 4.11Å; P504-Q507 VanDerWaalsContact CG-OE1 3.32Å; P504-Q507 PolarHBondContact O-N 2.95Å; P504-Q507 VanDerWaalsContact O-N 3.08Å; Q507-D509 PolarHBondContact O-N 2.92Å
508	S	56.8	Low	68.6	Low	30 Å²	30	58 Å²	58	21%	0.21	32%	0.32	C	S	.	.	S	Bend	trans	-73	119.1	165.9	59.8	0	0	0	0	108.8	T378 C510	T378-S508 WeakPolarHBondContact OG1-CA 3.3Å; S508-C510 PolarHBondContact O-N 2.83Å
509	D	64	Low	68	Low	35 Å²	35	55.6 Å²	55.6	19%	0.187	32%	0.319	C	S	.	.	S	Bend	trans	-58.3	-38.2	-176.2	-55.7	-60.3	0	0	0	110.3	K376 T378 Q507 R587	K376-D509 VanDerWaalsContact CE-OD1 3.22Å; K376-D509 WeakPolarHBondContact CE-OD1 3.49Å; K376-D509 IonicContact NZ-OD1 3.16Å; K376-D509 PolarHBondContact NZ-OD1 3.1Å; T378-D509 PolarHBondContact N-OD2 2.69Å; T378-D509 PolarHBondContact O-N 3.38Å; T378-D509 PolarHBondContact OG1-N 3.04Å; T378-D509 PolarHBondContact OG1-OD2 3.43Å; Q507-D509 PolarHBondContact O-N 2.92Å; D509-R587 WeakPolarHBondContact O-CD 3.5Å
510	C	72.2	Confident	67.5	Low	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.7	176.2	-167.2	0	0	0	0	112	F356 F377 T378 L379 N380 S508 R619	F356-C510 VanDerWaalsContact CE1-SG 3.57Å; F377-C510 HydrophobicContact CE1-CB 3.87Å; F377-C510 HydrophobicContact CE2-CB 3.76Å; F377-C510 HydrophobicContact CZ-CB 3.3Å; T378-C510 PolarHBondContact O-N 2.95Å; L379-C510 WeakPolarHBondContact CA-O 3.31Å; L379-C510 HydrophobicContact CD1-CB 4.16Å; N380-C510 PolarHBondContact N-O 2.85Å; S508-C510 PolarHBondContact O-N 2.83Å; C510-R619 WeakPolarHBondContact SG-CD 3.23Å
511	H	82.1	Confident	67.1	Low	36 Å²	36	54 Å²	54	17%	0.167	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.6	171.2	179.9	110.1	0	0	0	109.8	N380 S382 R619 M623	N380-H511 HydrophobicContact CB-CB 4.44Å; N380-H511 PolarHBondContact ND2-ND1 3.09Å; N380-H511 VanDerWaalsContact ND2-ND1 3.12Å; N380-H511 WeakPolarHBondContact O-CA 3.38Å; S382-H511 WeakPolarHBondContact CB-CE1 3.34Å; S382-H511 WeakPolarHBondContact CB-NE2 3.2Å; S382-H511 PolarHBondContact OG-CE1 3.14Å; S382-H511 VanDerWaalsContact OG-CE1 3.31Å; S382-H511 PolarHBondContact OG-NE2 3.19Å; H511-R619 WeakPolarHBondContact O-CD 3.27Å; H511-R619 PolarHBondContact O-NH1 2.85Å; H511-M623 WeakPolarHBondContact CD2-CE 3.37Å; H511-M623 PolarHBondContact CD2-SD 2.96Å; H511-M623 WeakPolarHBondContact NE2-CE 3.46Å
512	I	83.8	Confident	66.9	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.5	-178.5	-56.1	177.4	0	0	0	109.2	A353 F356 L379 N380 L381 S382 R619	A353-I512 HydrophobicContact CB-CG2 4.27Å; F356-I512 HydrophobicContact CB-CD1 3.13Å; F356-I512 HydrophobicContact CD1-CD1 3.88Å; F356-I512 HydrophobicContact CD2-CD1 3.06Å; F356-I512 HydrophobicContact CD2-CG1 4.24Å; F356-I512 HydrophobicContact CE1-CD1 4.45Å; F356-I512 HydrophobicContact CE2-CD1 3.73Å; F356-I512 HydrophobicContact CG-CD1 3.1Å; F356-I512 HydrophobicContact CG-CG1 4.42Å; F356-I512 HydrophobicContact CZ-CD1 4.36Å; L379-I512 HydrophobicContact CD1-CD1 3.75Å; L379-I512 HydrophobicContact CD1-CG1 4.1Å; N380-I512 PolarHBondContact O-N 3.47Å; L381-I512 WeakPolarHBondContact CA-O 3.41Å; L381-I512 HydrophobicContact CD2-CB 4.46Å; S382-I512 PolarHBondContact N-O 3.36Å; S382-I512 PolarHBondContact OG-O 3.32Å; I512-R619 HydrophobicContact CG1-CG 4.06Å
513	H	82.8	Confident	66.9	Low	35 Å²	35	54.9 Å²	54.9	16%	0.162	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.5	168.6	-166.4	74	0	0	0	110	S382 R622 M623 H626	S382-H513 VanDerWaalsContact OG-CA 3.3Å; S382-H513 WeakPolarHBondContact OG-CA 3.42Å; S382-H513 PolarHBondContact OG-ND1 3.19Å; H513-R622 WeakPolarHBondContact O-CD 3.46Å; H513-R622 PolarHBondContact O-NH1 3.36Å; H513-M623 HydrophobicContact CB-SD 4.48Å; H513-H626 AromaticContact CD2-CD2 3.95Å; H513-H626 AromaticContact CE1-CD2 3.61Å; H513-H626 AromaticContact CE1-NE2 3.45Å; H513-H626 PolarHBondContact CE1-NE2 2.94Å; H513-H626 AromaticContact ND1-CD2 3.93Å; H513-H626 AromaticContact ND1-NE2 3.95Å; H513-H626 AromaticContact NE2-CD2 3.62Å; H513-H626 AromaticContact NE2-NE2 3.84Å
514	L	82	Confident	66.8	Low	3 Å²	3	60.5 Å²	60.5	2%	0.016	35%	0.353	C	S	.	.			trans	-69.7	129.2	174.6	-174.2	67	0	0	0	108.8	L347 D350 A353 S382 Y390 P516	L347-L514 HydrophobicContact CB-CD1 3.94Å; L347-L514 HydrophobicContact CD2-CD1 4.18Å; D350-L514 HydrophobicContact CB-CD1 4.05Å; A353-L514 HydrophobicContact CB-CD1 4.07Å; S382-L514 WeakPolarHBondContact O-CB 3.3Å; S382-L514 PolarHBondContact O-N 3.07Å; Y390-L514 HydrophobicContact CE1-CD2 4.27Å; L514-P516 HydrophobicContact CG-CG 4.44Å; L514-P516 WeakPolarHBondContact O-CD 3.47Å
515	Q	79.9	Confident	67.5	Low	79 Å²	79	63.7 Å²	63.7	37%	0.369	37%	0.368	S	S	.	.			trans	-115.4	90.6	173.5	-72.8	-177.7	-28	0	0	109.3	D350 Q517 R622	D350-Q515 PolarHBondContact OD2-N 3Å; Q515-Q517 PolarHBondContact O-N 2.85Å; Q515-R622 VanDerWaalsContact CD-NE 3.29Å; Q515-R622 VanDerWaalsContact OE1-CZ 3.31Å
516	P	76.8	Confident	68.9	Low	53 Å²	53	62.3 Å²	62.3	34%	0.344	35%	0.352	S	S	.	.			trans	-58.7	124.4	176.7	-21.3	32.6	0	0	0	110.3	L348 L514 V518	L348-P516 HydrophobicContact CB-CB 3.93Å; L348-P516 HydrophobicContact CD1-CB 3.8Å; L348-P516 HydrophobicContact CD1-CG 3.91Å; L514-P516 HydrophobicContact CG-CG 4.44Å; L514-P516 WeakPolarHBondContact O-CD 3.47Å; P516-V518 VanDerWaalsContact C-N 3.31Å
517	Q	71.9	Confident	69.8	Low	155 Å²	155	59.1 Å²	59.1	72%	0.724	32%	0.316	S	S	*	.			trans	-85.8	-12.8	170.6	-59.7	-167.8	-3.2	0	0	111.7	L348 G349 Q515	L348-Q517 PolarHBondContact O-N 3.03Å; G349-Q517 VanDerWaalsContact O-CD 3.3Å; G349-Q517 PolarHBondContact O-NE2 2.91Å; Q515-Q517 PolarHBondContact O-N 2.85Å
518	V	66.1	Low	70.4	Confident	30 Å²	30	59.2 Å²	59.2	18%	0.182	33%	0.325	C	S	.	.	S	Bend	trans	-87.8	130	176.7	-176.9	0	0	0	0	109.9	L348 P516 H522 Y526	L348-V518 HydrophobicContact CB-CG2 4.43Å; P516-V518 VanDerWaalsContact C-N 3.31Å; V518-H522 HydrophobicContact CG1-CB 4.31Å; V518-Y526 HydrophobicContact CG1-CG 4.32Å; V518-Y526 HydrophobicContact CG2-CD1 4.08Å; V518-Y526 HydrophobicContact CG2-CD2 4.43Å; V518-Y526 HydrophobicContact CG2-CE1 4.04Å; V518-Y526 HydrophobicContact CG2-CE2 4.4Å; V518-Y526 HydrophobicContact CG2-CG 4.27Å
519	A	65.5	Low	71	Confident	55 Å²	55	60.6 Å²	60.6	46%	0.455	33%	0.334	S	S	.	.			trans	-64.5	144.6	178.2	0	0	0	0	0	111.6	P521 H522	A519-P521 HydrophobicContact CB-CG 4.48Å; A519-H522 PolarHBondContact O-N 3.07Å; A519-H522 VanDerWaalsContact O-N 3.07Å
520	P	61.8	Low	71	Confident	103 Å²	103	59.9 Å²	59.9	67%	0.669	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-48.5	-42.9	-178.4	-24.9	31.8	0	0	0	116.8	H522 M523	P520-H522 PolarHBondContact O-N 3.37Å; P520-M523 WeakPolarHBondContact O-CB 3.49Å; P520-M523 PolarHBondContact O-N 3.44Å
521	P	61	Low	70.3	Confident	103 Å²	103	65.6 Å²	65.6	67%	0.669	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-72.6	-7.6	-176.7	29.2	-36.5	0	0	0	114.3	A519	A519-P521 HydrophobicContact CB-CG 4.48Å
522	H	64.4	Low	69	Low	124 Å²	124	66.3 Å²	66.3	57%	0.574	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-111.8	4	176.5	-65.2	11.3	0	0	0	111.5	V518 A519 P520 Y526	V518-H522 HydrophobicContact CG1-CB 4.31Å; A519-H522 PolarHBondContact O-N 3.07Å; A519-H522 VanDerWaalsContact O-N 3.07Å; P520-H522 PolarHBondContact O-N 3.37Å; H522-Y526 WeakPolarHBondContact O-CB 3.34Å; H522-Y526 PolarHBondContact O-N 3.21Å
523	M	66.3	Low	67.4	Low	24 Å²	24	70.9 Å²	70.9	12%	0.118	38%	0.384	C	S	.	.	H	α-helix	trans	-69.8	-42.3	-172.2	-161.9	177.7	-55	0	0	111.9	L348 P385 P520 Y526 L527	L348-M523 HydrophobicContact CD1-CE 4.31Å; L348-M523 HydrophobicContact CD1-CG 4.15Å; L348-M523 HydrophobicContact CD1-SD 3.76Å; L348-M523 HydrophobicContact CD2-CG 4Å; P385-M523 HydrophobicContact CB-SD 3.85Å; P385-M523 HydrophobicContact CG-CE 4.44Å; P385-M523 HydrophobicContact CG-SD 3.51Å; P385-M523 VanDerWaalsContact CG-SD 3.51Å; P520-M523 WeakPolarHBondContact O-CB 3.49Å; P520-M523 PolarHBondContact O-N 3.44Å; M523-Y526 PolarHBondContact O-N 2.81Å; M523-L527 HydrophobicContact CG-CD1 4.15Å; M523-L527 HydrophobicContact CG-CG 4.47Å; M523-L527 VanDerWaalsContact O-CB 3.28Å; M523-L527 WeakPolarHBondContact O-CB 3.49Å; M523-L527 WeakPolarHBondContact O-CG 3.49Å; M523-L527 PolarHBondContact O-N 2.76Å
524	E	66.4	Low	65.8	Low	127 Å²	127	74.2 Å²	74.2	59%	0.593	41%	0.409	S	S	*	.	H	α-helix	trans	-68.4	-43.5	179.4	-69.7	-173.5	167.2	0	0	112.6	L527 S528	E524-L527 PolarHBondContact O-N 2.86Å; E524-S528 WeakPolarHBondContact O-CB 3.39Å; E524-S528 PolarHBondContact O-N 3.18Å
525	D	68.6	Low	64.1	Low	113 Å²	113	82.4 Å²	82.4	60%	0.604	45%	0.448	S	S	*	.	H	α-helix	trans	-62.2	-45.6	174.8	-70.4	-24.2	0	0	0	110.6	L527 S528 S529	D525-L527 PolarHBondContact O-N 3.09Å; D525-S528 PolarHBondContact O-N 3.12Å; D525-S528 VanDerWaalsContact O-N 3.12Å; D525-S528 PolarHBondContact O-OG 3.17Å; D525-S529 PolarHBondContact O-N 3.29Å
526	Y	71.3	Confident	62.8	Low	58 Å²	58	80.3 Å²	80.3	23%	0.227	44%	0.443	C	S	.	.	H	α-helix	trans	-60.3	-47.8	175.7	-173.7	-101.8	0	0	0	111.5	H345 L348 V518 H522 M523 S528 S529 I530	H345-Y526 PolarHBondContact ND1-OH 2.82Å; H345-Y526 VanDerWaalsContact ND1-OH 3.16Å; H345-Y526 VanDerWaalsContact O-CE1 3.28Å; H345-Y526 WeakPolarHBondContact O-CE1 3.38Å; L348-Y526 HydrophobicContact CD2-CD1 3.82Å; L348-Y526 HydrophobicContact CD2-CE1 4.14Å; V518-Y526 HydrophobicContact CG1-CG 4.32Å; V518-Y526 HydrophobicContact CG2-CD1 4.08Å; V518-Y526 HydrophobicContact CG2-CD2 4.43Å; V518-Y526 HydrophobicContact CG2-CE1 4.04Å; V518-Y526 HydrophobicContact CG2-CE2 4.4Å; V518-Y526 HydrophobicContact CG2-CG 4.27Å; H522-Y526 WeakPolarHBondContact O-CB 3.34Å; H522-Y526 PolarHBondContact O-N 3.21Å; M523-Y526 PolarHBondContact O-N 2.81Å; Y526-S528 PolarHBondContact O-N 3.48Å; Y526-S529 WeakPolarHBondContact O-CB 3.4Å; Y526-S529 PolarHBondContact O-N 2.88Å; Y526-S529 VanDerWaalsContact O-N 3.11Å; Y526-S529 PolarHBondContact O-OG 3.24Å; Y526-I530 HydrophobicContact CD1-CD1 4.37Å; Y526-I530 HydrophobicContact CE1-CD1 4.22Å; Y526-I530 WeakPolarHBondContact O-CG1 3.38Å; Y526-I530 PolarHBondContact O-N 2.88Å; Y526-I530 VanDerWaalsContact O-N 3.17Å
527	L	68.2	Low	62.2	Low	9 Å²	9	80.7 Å²	80.7	5%	0.047	45%	0.448	C	S	.	.	H	α-helix	trans	-61.1	-33.1	176.3	-71.7	170.7	0	0	0	111.6	L348 Y390 R393 M523 E524 D525 I530	L348-L527 HydrophobicContact CD2-CD2 3.99Å; L348-L527 HydrophobicContact CD2-CG 4.34Å; Y390-L527 HydrophobicContact CD2-CD1 3.97Å; Y390-L527 HydrophobicContact CD2-CD2 3.58Å; Y390-L527 HydrophobicContact CD2-CG 4.43Å; Y390-L527 HydrophobicContact CE2-CD2 3.84Å; R393-L527 PolarHBondContact NH1-O 3.02Å; M523-L527 HydrophobicContact CG-CD1 4.15Å; M523-L527 HydrophobicContact CG-CG 4.47Å; M523-L527 VanDerWaalsContact O-CB 3.28Å; M523-L527 WeakPolarHBondContact O-CB 3.49Å; M523-L527 WeakPolarHBondContact O-CG 3.49Å; M523-L527 PolarHBondContact O-N 2.76Å; E524-L527 PolarHBondContact O-N 2.86Å; D525-L527 PolarHBondContact O-N 3.09Å; L527-I530 HydrophobicContact CD2-CD1 4.06Å
528	S	67.3	Low	62.5	Low	71 Å²	71	77.1 Å²	77.1	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-74.9	-29.6	178.9	77.2	0	0	0	0	111.9	R393 E524 D525 Y526 I530	R393-S528 VanDerWaalsContact NH1-CA 3.27Å; E524-S528 WeakPolarHBondContact O-CB 3.39Å; E524-S528 PolarHBondContact O-N 3.18Å; D525-S528 PolarHBondContact O-N 3.12Å; D525-S528 VanDerWaalsContact O-N 3.12Å; D525-S528 PolarHBondContact O-OG 3.17Å; Y526-S528 PolarHBondContact O-N 3.48Å; S528-I530 VanDerWaalsContact C-N 3.3Å
529	S	68.3	Low	63.2	Low	58 Å²	58	80.6 Å²	80.6	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-76	-15.1	175.1	78.5	0	0	0	0	113.7	D525 Y526 H531	D525-S529 PolarHBondContact O-N 3.29Å; Y526-S529 WeakPolarHBondContact O-CB 3.4Å; Y526-S529 PolarHBondContact O-N 2.88Å; Y526-S529 VanDerWaalsContact O-N 3.11Å; Y526-S529 PolarHBondContact O-OG 3.24Å; S529-H531 PolarHBondContact O-CE1 2.91Å; S529-H531 PolarHBondContact O-N 3.11Å; S529-H531 PolarHBondContact O-ND1 2.78Å
530	I	65.2	Low	64.1	Low	21 Å²	21	78.7 Å²	78.7	11%	0.108	44%	0.436	C	S	.	.	S	Bend	trans	-70.3	85.5	166.5	-59.6	169.9	0	0	0	106.4	H345 V346 I397 Y526 L527 S528 V532	H345-I530 WeakPolarHBondContact O-CD1 3.3Å; V346-I530 HydrophobicContact CG2-CG2 4.25Å; I397-I530 HydrophobicContact CD1-CG2 4.3Å; Y526-I530 HydrophobicContact CD1-CD1 4.37Å; Y526-I530 HydrophobicContact CE1-CD1 4.22Å; Y526-I530 WeakPolarHBondContact O-CG1 3.38Å; Y526-I530 PolarHBondContact O-N 2.88Å; Y526-I530 VanDerWaalsContact O-N 3.17Å; L527-I530 HydrophobicContact CD2-CD1 4.06Å; S528-I530 VanDerWaalsContact C-N 3.3Å; I530-V532 PolarHBondContact O-N 3.26Å
531	H	56.2	Low	65.3	Low	120 Å²	120	76.2 Å²	76.2	56%	0.556	42%	0.417	S	S	*	.			trans	-63.8	107.3	-177	-70.7	86.2	0	0	0	109.2	S529 H533	S529-H531 PolarHBondContact O-CE1 2.91Å; S529-H531 PolarHBondContact O-N 3.11Å; S529-H531 PolarHBondContact O-ND1 2.78Å; H531-H533 HydrophobicContact CB-CB 4.09Å; H531-H533 AromaticContact CD2-CD2 3.43Å; H531-H533 PolarHBondContact CD2-CD2 3.04Å; H531-H533 VanDerWaalsContact CD2-CD2 3.43Å; H531-H533 AromaticContact CD2-CE1 3.97Å; H531-H533 AromaticContact CD2-NE2 3.29Å; H531-H533 PolarHBondContact CD2-NE2 2.82Å; H531-H533 VanDerWaalsContact CD2-NE2 3.29Å; H531-H533 AromaticContact CG-CD2 3.81Å; H531-H533 PolarHBondContact O-N 2.8Å
532	V	55.4	Low	66.6	Low	51 Å²	51	76 Å²	76	31%	0.309	41%	0.406	S	S	.	.			trans	-73.4	57.6	162.6	-174.8	0	0	0	0	107.3	I530 P534	I530-V532 PolarHBondContact O-N 3.26Å; V532-P534 WeakPolarHBondContact O-CD 3.46Å
533	H	49.8	Very low	67.7	Low	96 Å²	96	70.5 Å²	70.5	44%	0.444	38%	0.38	S	S	.	.			trans	-88.1	125.9	-170	-101	-19.6	0	0	0	112.4	H531 Q535 A536	H531-H533 HydrophobicContact CB-CB 4.09Å; H531-H533 AromaticContact CD2-CD2 3.43Å; H531-H533 PolarHBondContact CD2-CD2 3.04Å; H531-H533 VanDerWaalsContact CD2-CD2 3.43Å; H531-H533 AromaticContact CD2-CE1 3.97Å; H531-H533 AromaticContact CD2-NE2 3.29Å; H531-H533 PolarHBondContact CD2-NE2 2.82Å; H531-H533 VanDerWaalsContact CD2-NE2 3.29Å; H531-H533 AromaticContact CG-CD2 3.81Å; H531-H533 PolarHBondContact O-N 2.8Å; H533-Q535 PolarHBondContact O-N 3.41Å; H533-Q535 VanDerWaalsContact O-N 3.15Å; H533-A536 PolarHBondContact O-N 3Å
534	P	49.6	Very low	68.9	Low	106 Å²	106	70.4 Å²	70.4	69%	0.688	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-62.6	-16.8	174.4	-21.8	32.2	0	0	0	114.7	V532 A536	V532-P534 WeakPolarHBondContact O-CD 3.46Å; P534-A536 VanDerWaalsContact C-N 3.32Å; P534-A536 PolarHBondContact O-N 2.85Å
535	Q	45.4	Very low	70	Confident	175 Å²	175	65.7 Å²	65.7	82%	0.818	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-78.8	-9.3	-178.4	-70.8	177.8	-20.7	0	0	113.9	H533 S537	H533-Q535 PolarHBondContact O-N 3.41Å; H533-Q535 VanDerWaalsContact O-N 3.15Å; Q535-S537 PolarHBondContact O-N 2.78Å
536	A	53.9	Low	71	Confident	34 Å²	34	60.7 Å²	60.7	28%	0.281	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-88.5	22.6	172.6	0	0	0	0	0	113.1	H533 P534 S538 Q539 L540	H533-A536 PolarHBondContact O-N 3Å; P534-A536 VanDerWaalsContact C-N 3.32Å; P534-A536 PolarHBondContact O-N 2.85Å; A536-S538 PolarHBondContact O-N 3.46Å; A536-S538 VanDerWaalsContact O-N 3.12Å; A536-Q539 PolarHBondContact O-N 2.96Å; A536-Q539 VanDerWaalsContact O-N 3.13Å; A536-L540 PolarHBondContact O-N 2.78Å
537	S	64.3	Low	71.8	Confident	62 Å²	62	58.2 Å²	58.2	43%	0.434	32%	0.322	S	S	.	.	H	α-helix	trans	-53.6	-36	-174.2	59.3	0	0	0	0	113.3	Q535 N541	Q535-S537 PolarHBondContact O-N 2.78Å; S537-N541 WeakPolarHBondContact O-CB 3.49Å; S537-N541 PolarHBondContact O-N 2.93Å; S537-N541 PolarHBondContact O-ND2 2.78Å; S537-N541 PolarHBondContact O-OD1 2.86Å
538	S	77	Confident	72.8	Confident	79 Å²	79	58.5 Å²	58.5	55%	0.552	32%	0.324	S	S	*	.	H	α-helix	trans	-68.2	-43.1	179.1	62.3	0	0	0	0	113.2	A536 N541 K542	A536-S538 PolarHBondContact O-N 3.46Å; A536-S538 VanDerWaalsContact O-N 3.12Å; S538-N541 PolarHBondContact O-N 2.83Å; S538-K542 WeakPolarHBondContact O-CG 3.36Å; S538-K542 PolarHBondContact O-N 2.88Å; S538-K542 VanDerWaalsContact O-N 3.15Å
539	Q	81.6	Confident	73.8	Confident	104 Å²	104	55.1 Å²	55.1	49%	0.486	30%	0.301	S	S	.	.	H	α-helix	trans	-70	-43.8	176.8	-70.6	179.5	-4.7	0	0	111.3	A536 N541 K542 F543	A536-Q539 PolarHBondContact O-N 2.96Å; A536-Q539 VanDerWaalsContact O-N 3.13Å; Q539-N541 VanDerWaalsContact C-N 3.27Å; Q539-N541 PolarHBondContact O-N 3.43Å; Q539-K542 WeakPolarHBondContact O-CB 3.24Å; Q539-K542 PolarHBondContact O-N 3.43Å; Q539-F543 WeakPolarHBondContact O-CG 3.41Å; Q539-F543 PolarHBondContact O-N 3.06Å
540	L	84.8	Confident	74.6	Confident	14 Å²	14	52.4 Å²	52.4	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-37.4	175.2	-68.2	177.1	0	0	0	111.7	L401 A536 K542 F543 R544	L401-L540 HydrophobicContact CD2-CD2 3.97Å; A536-L540 PolarHBondContact O-N 2.78Å; L540-K542 VanDerWaalsContact C-N 3.35Å; L540-F543 HydrophobicContact CD2-CD2 4.1Å; L540-F543 PolarHBondContact O-N 3.45Å; L540-R544 WeakPolarHBondContact O-CB 3.39Å; L540-R544 WeakPolarHBondContact O-CD 3.19Å; L540-R544 WeakPolarHBondContact O-CG 3.42Å; L540-R544 PolarHBondContact O-N 2.85Å
541	N	87.1	Confident	75.7	Confident	51 Å²	51	53.2 Å²	53.2	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-39.7	173.7	-73.5	-9.8	0	0	0	112	L312 S537 S538 Q539 F543 R544 V545	L312-N541 HydrophobicContact CD1-CB 3.73Å; S537-N541 WeakPolarHBondContact O-CB 3.49Å; S537-N541 PolarHBondContact O-N 2.93Å; S537-N541 PolarHBondContact O-ND2 2.78Å; S537-N541 PolarHBondContact O-OD1 2.86Å; S538-N541 PolarHBondContact O-N 2.83Å; Q539-N541 VanDerWaalsContact C-N 3.27Å; Q539-N541 PolarHBondContact O-N 3.43Å; N541-F543 VanDerWaalsContact C-N 3.35Å; N541-F543 PolarHBondContact O-N 2.84Å; N541-R544 PolarHBondContact O-N 3.3Å; N541-R544 PolarHBondContact OD1-NH1 3.46Å; N541-V545 WeakPolarHBondContact O-CB 3.3Å; N541-V545 VanDerWaalsContact O-CG2 3.31Å; N541-V545 WeakPolarHBondContact O-CG2 3.38Å; N541-V545 PolarHBondContact O-N 3.49Å
542	K	87	Confident	77	Confident	99 Å²	99	49.9 Å²	49.9	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-60.3	-44.1	171.6	-66.9	-179.5	-178.7	-167.3	0	111.5	V335 S538 Q539 L540 V545 F546	V335-K542 HydrophobicContact CG1-CB 4.46Å; V335-K542 HydrophobicContact CG2-CB 4.48Å; S538-K542 WeakPolarHBondContact O-CG 3.36Å; S538-K542 PolarHBondContact O-N 2.88Å; S538-K542 VanDerWaalsContact O-N 3.15Å; Q539-K542 WeakPolarHBondContact O-CB 3.24Å; Q539-K542 PolarHBondContact O-N 3.43Å; L540-K542 VanDerWaalsContact C-N 3.35Å; K542-V545 PolarHBondContact O-N 3.45Å; K542-F546 WeakPolarHBondContact O-CB 3.34Å; K542-F546 PolarHBondContact O-N 3.22Å
543	F	89.2	Confident	78.4	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-42.9	176.6	-58	-28.9	0	0	0	112.6	V335 E338 L339 L401 Q539 L540 N541 F546 L547	V335-F543 HydrophobicContact CG1-CD1 3.6Å; V335-F543 HydrophobicContact CG1-CE1 3.98Å; E338-F543 HydrophobicContact CB-CE1 4Å; E338-F543 HydrophobicContact CB-CZ 4.12Å; L339-F543 HydrophobicContact CB-CD1 3.95Å; L339-F543 HydrophobicContact CB-CE1 3.9Å; L339-F543 HydrophobicContact CB-CZ 4.43Å; L339-F543 HydrophobicContact CD1-CB 4.26Å; L339-F543 HydrophobicContact CD1-CD1 4.12Å; L339-F543 HydrophobicContact CD1-CD2 3.9Å; L339-F543 HydrophobicContact CD1-CE1 4.47Å; L339-F543 HydrophobicContact CD1-CE2 4.26Å; L339-F543 HydrophobicContact CD1-CG 3.85Å; L339-F543 HydrophobicContact CG-CD1 4.42Å; L401-F543 HydrophobicContact CD2-CB 3.81Å; L401-F543 HydrophobicContact CD2-CD2 4.1Å; L401-F543 HydrophobicContact CD2-CG 4.44Å; Q539-F543 WeakPolarHBondContact O-CG 3.41Å; Q539-F543 PolarHBondContact O-N 3.06Å; L540-F543 HydrophobicContact CD2-CD2 4.1Å; L540-F543 PolarHBondContact O-N 3.45Å; N541-F543 VanDerWaalsContact C-N 3.35Å; N541-F543 PolarHBondContact O-N 2.84Å; F543-F546 PolarHBondContact O-N 3.28Å; F543-L547 WeakPolarHBondContact O-CB 3.44Å; F543-L547 WeakPolarHBondContact O-CG 3.31Å; F543-L547 PolarHBondContact O-N 3.12Å
544	R	90.5	Very high	79.8	Confident	22 Å²	22	49.2 Å²	49.2	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-46.3	177.1	-71.6	159.4	-179.7	171.5	-0.7	111.9	W139 N310 L312 Q400 L401 L540 N541 S548	W139-R544 VanDerWaalsContact CD2-CZ 3.45Å; W139-R544 VanDerWaalsContact CG-CZ 3.48Å; W139-R544 VanDerWaalsContact CG-NH2 3.31Å; W139-R544 HydrophobicContact CH2-CB 4.05Å; W139-R544 HydrophobicContact CH2-CG 3.84Å; W139-R544 HydrophobicContact CZ2-CB 4.46Å; W139-R544 HydrophobicContact CZ2-CG 3.83Å; W139-R544 HydrophobicContact CZ3-CG 4.28Å; N310-R544 PolarHBondContact ND2-O 2.63Å; L312-R544 HydrophobicContact CD1-CB 3.96Å; Q400-R544 VanDerWaalsContact O-CZ 3.24Å; Q400-R544 PolarHBondContact O-NE 3.25Å; Q400-R544 PolarHBondContact O-NH2 3.44Å; L401-R544 WeakPolarHBondContact O-CG 3.45Å; L540-R544 WeakPolarHBondContact O-CB 3.39Å; L540-R544 WeakPolarHBondContact O-CD 3.19Å; L540-R544 WeakPolarHBondContact O-CG 3.42Å; L540-R544 PolarHBondContact O-N 2.85Å; N541-R544 PolarHBondContact O-N 3.3Å; N541-R544 PolarHBondContact OD1-NH1 3.46Å; R544-S548 WeakPolarHBondContact O-CB 3.4Å; R544-S548 PolarHBondContact O-N 2.89Å; R544-S548 VanDerWaalsContact O-N 3.1Å; R544-S548 PolarHBondContact O-OG 3.14Å
545	V	88.8	Confident	81.4	Confident	28 Å²	28	45.9 Å²	45.9	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-49.3	175.7	170.3	0	0	0	0	109.8	L312 L313 F324 N541 K542 L547 S548 V549	L312-V545 HydrophobicContact CB-CG2 3.69Å; L312-V545 HydrophobicContact CD1-CG2 3.99Å; L313-V545 HydrophobicContact CD2-CG1 4.15Å; F324-V545 HydrophobicContact CE1-CG1 4.46Å; F324-V545 HydrophobicContact CZ-CG1 3.86Å; N541-V545 WeakPolarHBondContact O-CB 3.3Å; N541-V545 VanDerWaalsContact O-CG2 3.31Å; N541-V545 WeakPolarHBondContact O-CG2 3.38Å; N541-V545 PolarHBondContact O-N 3.49Å; K542-V545 PolarHBondContact O-N 3.45Å; V545-L547 PolarHBondContact O-N 3.37Å; V545-S548 PolarHBondContact O-N 3.34Å; V545-V549 HydrophobicContact CG1-CG2 4.04Å; V545-V549 WeakPolarHBondContact O-CB 3.41Å; V545-V549 VanDerWaalsContact O-CG2 3.31Å; V545-V549 WeakPolarHBondContact O-CG2 3.31Å; V545-V549 PolarHBondContact O-N 3.32Å
546	F	90.3	Very high	83.2	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.035	23%	0.228	C	C	.	.	H	α-helix	trans	-54.2	-52.6	178	170	-90.8	0	0	0	112.4	M332 V335 R336 L339 L358 L362 K542 F543 S548 V549 A550 S598	M332-F546 HydrophobicContact CB-CD2 4.03Å; M332-F546 HydrophobicContact CB-CE2 3.81Å; M332-F546 HydrophobicContact CE-CD2 3.82Å; M332-F546 HydrophobicContact CE-CE2 3.44Å; M332-F546 VanDerWaalsContact CE-CE2 3.44Å; M332-F546 HydrophobicContact CE-CZ 4.13Å; M332-F546 HydrophobicContact CG-CD2 3.83Å; M332-F546 HydrophobicContact CG-CE2 3.97Å; M332-F546 WeakPolarHBondContact O-CE2 3.38Å; V335-F546 HydrophobicContact CB-CD2 4.28Å; V335-F546 HydrophobicContact CG1-CB 3.78Å; V335-F546 HydrophobicContact CG1-CD2 4.15Å; V335-F546 HydrophobicContact CG1-CG 3.94Å; R336-F546 HydrophobicContact CB-CE2 4.18Å; R336-F546 HydrophobicContact CB-CZ 3.96Å; L339-F546 HydrophobicContact CD2-CD1 4.03Å; L339-F546 HydrophobicContact CD2-CE1 4.15Å; L358-F546 HydrophobicContact CD1-CE1 4.15Å; L362-F546 HydrophobicContact CD2-CE1 4.37Å; K542-F546 WeakPolarHBondContact O-CB 3.34Å; K542-F546 PolarHBondContact O-N 3.22Å; F543-F546 PolarHBondContact O-N 3.28Å; F546-S548 VanDerWaalsContact C-N 3.29Å; F546-S548 PolarHBondContact O-N 3.31Å; F546-V549 PolarHBondContact O-N 3.09Å; F546-A550 WeakPolarHBondContact O-CB 3.04Å; F546-A550 PolarHBondContact O-N 3.37Å; F546-S598 WeakPolarHBondContact CE2-O 3.42Å; F546-S598 VanDerWaalsContact CZ-O 3.31Å; F546-S598 WeakPolarHBondContact CZ-O 3.38Å
547	L	88.9	Confident	84.6	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-39.2	-179.7	-71.3	174.9	0	0	0	111.7	L339 L358 L361 L362 L401 F543 V545 R551	L339-L547 HydrophobicContact CD2-CD2 4.18Å; L339-L547 HydrophobicContact CD2-CG 4.43Å; L358-L547 HydrophobicContact CD1-CD2 3.82Å; L361-L547 HydrophobicContact CB-CD2 4.06Å; L361-L547 HydrophobicContact CD1-CD1 4.43Å; L362-L547 HydrophobicContact CD2-CD2 3.68Å; L362-L547 HydrophobicContact CG-CD2 4.2Å; L401-L547 HydrophobicContact CB-CD1 4.04Å; F543-L547 WeakPolarHBondContact O-CB 3.44Å; F543-L547 WeakPolarHBondContact O-CG 3.31Å; F543-L547 PolarHBondContact O-N 3.12Å; V545-L547 PolarHBondContact O-N 3.37Å; L547-R551 WeakPolarHBondContact O-CG 3.42Å; L547-R551 PolarHBondContact O-N 3.03Å
548	S	87.9	Confident	85.5	Confident	14 Å²	14	42.4 Å²	42.4	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-74	-43.5	-178.1	-57.6	0	0	0	0	112.1	N310 R544 V545 F546 R551 L552	N310-S548 PolarHBondContact ND2-OG 3.41Å; R544-S548 WeakPolarHBondContact O-CB 3.4Å; R544-S548 PolarHBondContact O-N 2.89Å; R544-S548 VanDerWaalsContact O-N 3.1Å; R544-S548 PolarHBondContact O-OG 3.14Å; V545-S548 PolarHBondContact O-N 3.34Å; F546-S548 VanDerWaalsContact C-N 3.29Å; F546-S548 PolarHBondContact O-N 3.31Å; S548-R551 PolarHBondContact O-N 3.22Å; S548-L552 WeakPolarHBondContact O-CD1 3.34Å; S548-L552 VanDerWaalsContact O-CG 3.3Å; S548-L552 WeakPolarHBondContact O-CG 3.46Å; S548-L552 PolarHBondContact O-N 2.95Å
549	V	87.9	Confident	85.6	Confident	1 Å²	1	45 Å²	45	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-49.1	177.3	172.2	0	0	0	0	110.3	L313 F324 L325 V545 F546 R551 L552 L553	L313-V549 HydrophobicContact CD1-CG2 4.35Å; L313-V549 HydrophobicContact CD2-CG2 3.78Å; F324-V549 HydrophobicContact CE1-CG2 4.23Å; L325-V549 HydrophobicContact CD2-CG1 4.06Å; V545-V549 HydrophobicContact CG1-CG2 4.04Å; V545-V549 WeakPolarHBondContact O-CB 3.41Å; V545-V549 VanDerWaalsContact O-CG2 3.31Å; V545-V549 WeakPolarHBondContact O-CG2 3.31Å; V545-V549 PolarHBondContact O-N 3.32Å; F546-V549 PolarHBondContact O-N 3.09Å; V549-R551 PolarHBondContact O-N 3.05Å; V549-R551 VanDerWaalsContact O-N 3.16Å; V549-L552 PolarHBondContact O-N 2.98Å; V549-L553 HydrophobicContact CG1-CD2 4.45Å; V549-L553 WeakPolarHBondContact O-CG 3.49Å; V549-L553 PolarHBondContact O-N 3.31Å
550	A	86.9	Confident	85.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-32.5	-178.5	0	0	0	0	0	113.3	M332 L362 F546 L552	M332-A550 HydrophobicContact CE-CB 3.64Å; L362-A550 HydrophobicContact CD2-CB 3.42Å; L362-A550 VanDerWaalsContact CD2-CB 3.42Å; F546-A550 WeakPolarHBondContact O-CB 3.04Å; F546-A550 PolarHBondContact O-N 3.37Å; A550-L552 VanDerWaalsContact C-N 3.34Å
551	R	86.7	Confident	85.4	Confident	38 Å²	38	48.2 Å²	48.2	14%	0.143	25%	0.252	C	S	.	.	H	α-helix	trans	-72.6	-24.3	176.4	-74.5	179.6	79.3	173.2	8.5	114.3	L361 L362 S363 S441 L547 S548 V549	L361-R551 WeakPolarHBondContact O-CD 3.43Å; L362-R551 WeakPolarHBondContact O-CG 3.16Å; S363-R551 PolarHBondContact O-NE 2.83Å; S363-R551 PolarHBondContact O-NH2 3.37Å; S363-R551 VanDerWaalsContact O-NH2 3.1Å; S441-R551 VanDerWaalsContact CB-NH2 3.27Å; S441-R551 PolarHBondContact O-NH1 3.36Å; S441-R551 VanDerWaalsContact O-NH1 3.12Å; S441-R551 PolarHBondContact OG-NH2 2.84Å; L547-R551 WeakPolarHBondContact O-CG 3.42Å; L547-R551 PolarHBondContact O-N 3.03Å; S548-R551 PolarHBondContact O-N 3.22Å; V549-R551 PolarHBondContact O-N 3.05Å; V549-R551 VanDerWaalsContact O-N 3.16Å
552	L	84.7	Confident	85.2	Confident	51 Å²	51	48.1 Å²	48.1	27%	0.267	25%	0.253	S	S	.	.	H	α-helix	trans	-99.4	-3.7	-175.3	-64.1	169.8	0	0	0	112.8	V307 H308 L313 L318 S548 V549 A550	V307-L552 HydrophobicContact CG1-CD2 3.59Å; H308-L552 HydrophobicContact CB-CD1 4.24Å; L313-L552 HydrophobicContact CD1-CD1 4.38Å; L318-L552 HydrophobicContact CD1-CB 3.36Å; L318-L552 HydrophobicContact CD1-CD1 3.56Å; L318-L552 HydrophobicContact CD1-CG 4.1Å; L318-L552 HydrophobicContact CG-CD1 4.21Å; S548-L552 WeakPolarHBondContact O-CD1 3.34Å; S548-L552 VanDerWaalsContact O-CG 3.3Å; S548-L552 WeakPolarHBondContact O-CG 3.46Å; S548-L552 PolarHBondContact O-N 2.95Å; V549-L552 PolarHBondContact O-N 2.98Å; A550-L552 VanDerWaalsContact C-N 3.34Å
553	L	84.1	Confident	85.2	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.099	26%	0.261	C	S	.	.			trans	-69.8	135.5	176.8	-70.9	175.9	0	0	0	111.3	L329 M332 V549 L597	L329-L553 HydrophobicContact CD2-CD1 4.1Å; L329-L553 HydrophobicContact CD2-CD2 4.22Å; M332-L553 HydrophobicContact CE-CD1 4.38Å; M332-L553 HydrophobicContact SD-CD1 4.29Å; V549-L553 HydrophobicContact CG1-CD2 4.45Å; V549-L553 WeakPolarHBondContact O-CG 3.49Å; V549-L553 PolarHBondContact O-N 3.31Å; L553-L597 HydrophobicContact CB-CD2 3.81Å; L553-L597 HydrophobicContact CD1-CD2 4.36Å
554	D	80.1	Confident	84.9	Confident	114 Å²	114	51.2 Å²	51.2	61%	0.61	27%	0.273	S	S	*	.			trans	-72.1	136	170.2	-65.5	-42.6	0	0	0	110	Q319 T602	Q319-D554 PolarHBondContact NE2-OD2 2.92Å; D554-T602 VanDerWaalsContact O-CB 3.3Å; D554-T602 WeakPolarHBondContact O-CB 3.36Å; D554-T602 WeakPolarHBondContact O-CG2 3.34Å
555	Y	82.9	Confident	84.6	Confident	36 Å²	36	50.6 Å²	50.6	14%	0.141	27%	0.272	C	S	.	.			trans	-126.3	130.5	-178.3	-176.8	-96.3	0	0	0	111.1	I557 R593 L597 T602 L604	Y555-I557 HydrophobicContact CD1-CG1 4.32Å; Y555-I557 HydrophobicContact CE1-CD1 4.2Å; Y555-I557 HydrophobicContact CE1-CG1 3.55Å; Y555-R593 HydrophobicContact CD1-CB 4.27Å; Y555-R593 HydrophobicContact CD1-CG 3.64Å; Y555-R593 HydrophobicContact CD2-CG 4.04Å; Y555-R593 HydrophobicContact CE1-CB 3.75Å; Y555-R593 HydrophobicContact CE1-CG 3.64Å; Y555-R593 HydrophobicContact CE2-CB 4.37Å; Y555-R593 HydrophobicContact CE2-CG 4.08Å; Y555-R593 HydrophobicContact CG-CG 3.8Å; Y555-L597 HydrophobicContact CD2-CD2 4.07Å; Y555-L597 HydrophobicContact CD2-CG 4.24Å; Y555-T602 WeakPolarHBondContact CA-O 3.3Å; Y555-L604 WeakPolarHBondContact OH-CA 3.34Å; Y555-L604 WeakPolarHBondContact OH-CB 3.01Å; Y555-L604 VanDerWaalsContact OH-CD1 3.3Å; Y555-L604 WeakPolarHBondContact OH-CD1 3.24Å
556	S	82.6	Confident	84.5	Confident	76 Å²	76	54.8 Å²	54.8	53%	0.531	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-127.2	148.9	174.8	63.8	0	0	0	0	111.6	T602 S603	S556-T602 PolarHBondContact N-O 2.77Å; S556-S603 WeakPolarHBondContact O-CA 3.5Å
557	I	83.2	Confident	84.3	Confident	74 Å²	74	59.4 Å²	59.4	38%	0.379	31%	0.314	S	S	.	.			trans	-106.7	126	173.7	-54.4	174.7	0	0	0	106.4	Y555 T562 L604	Y555-I557 HydrophobicContact CD1-CG1 4.32Å; Y555-I557 HydrophobicContact CE1-CD1 4.2Å; Y555-I557 HydrophobicContact CE1-CG1 3.55Å; I557-T562 WeakPolarHBondContact CG2-OG1 3.26Å; I557-L604 HydrophobicContact CG2-CB 4.42Å; I557-L604 HydrophobicContact CG2-CD2 4.31Å
558	S	82.5	Confident	84	Confident	48 Å²	48	60.6 Å²	60.6	34%	0.336	32%	0.321	S	S	.	.			trans	-75.6	152.1	176.2	59.4	0	0	0	0	111.4	E560 V561 T562	S558-E560 PolarHBondContact O-N 3.15Å; S558-V561 PolarHBondContact O-N 3.21Å; S558-V561 WeakPolarHBondContact OG-CG2 3.49Å; S558-T562 PolarHBondContact O-N 3.26Å; S558-T562 PolarHBondContact O-OG1 2.85Å
559	D	79.8	Confident	83.8	Confident	132 Å²	132	61.4 Å²	61.4	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-61.9	-32.7	-179.7	-65.1	-18.9	0	0	0	112.5	T562 K563	D559-T562 PolarHBondContact O-N 2.83Å; D559-K563 PolarHBondContact O-N 3.1Å; D559-K563 VanDerWaalsContact O-N 3.13Å
560	E	79.9	Confident	83.6	Confident	166 Å²	166	65.2 Å²	65.2	78%	0.776	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-44.8	177	-64.3	178.1	-174.7	0	0	112	S558 A564	S558-E560 PolarHBondContact O-N 3.15Å; E560-A564 PolarHBondContact O-N 3.49Å
561	V	81.8	Confident	83.5	Confident	21 Å²	21	68.7 Å²	68.7	13%	0.127	36%	0.364	C	S	.	.	H	α-helix	trans	-76.1	-31.9	-179.7	-178.4	0	0	0	0	110.7	S558 K563 A564 V565 L604	S558-V561 PolarHBondContact O-N 3.21Å; S558-V561 WeakPolarHBondContact OG-CG2 3.49Å; V561-K563 VanDerWaalsContact C-N 3.33Å; V561-K563 PolarHBondContact O-N 3.14Å; V561-A564 PolarHBondContact O-N 3.13Å; V561-V565 HydrophobicContact CG1-CG2 4.26Å; V561-V565 VanDerWaalsContact O-CG2 3.29Å; V561-V565 WeakPolarHBondContact O-CG2 3.24Å; V561-V565 PolarHBondContact O-N 3.18Å; V561-L604 HydrophobicContact CG1-CB 4.11Å; V561-L604 HydrophobicContact CG1-CD2 3.56Å; V561-L604 HydrophobicContact CG1-CG 3.75Å
562	T	84.7	Confident	83	Confident	49 Å²	49	69.8 Å²	69.8	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-57.9	-46.8	173.7	-54.6	0	0	0	0	110.9	I557 S558 D559 A564 V565 E566	I557-T562 WeakPolarHBondContact CG2-OG1 3.26Å; S558-T562 PolarHBondContact O-N 3.26Å; S558-T562 PolarHBondContact O-OG1 2.85Å; D559-T562 PolarHBondContact O-N 2.83Å; T562-A564 PolarHBondContact O-N 3.41Å; T562-V565 PolarHBondContact O-N 3.32Å; T562-E566 WeakPolarHBondContact O-CG 3.44Å; T562-E566 PolarHBondContact O-N 2.99Å
563	K	85	Confident	82.8	Confident	136 Å²	136	71.8 Å²	71.8	59%	0.591	38%	0.375	S	S	*	.	H	α-helix	trans	-61.5	-43.4	174.4	-70.5	178.3	-177.7	176.6	0	112.6	D559 V561 V565 E566 D567	D559-K563 PolarHBondContact O-N 3.1Å; D559-K563 VanDerWaalsContact O-N 3.13Å; V561-K563 VanDerWaalsContact C-N 3.33Å; V561-K563 PolarHBondContact O-N 3.14Å; K563-V565 VanDerWaalsContact C-N 3.28Å; K563-V565 PolarHBondContact O-N 2.89Å; K563-E566 WeakPolarHBondContact O-CB 3.33Å; K563-E566 PolarHBondContact O-N 3.26Å; K563-D567 PolarHBondContact O-N 3.4Å
564	A	83.5	Confident	82.5	Confident	35 Å²	35	77.7 Å²	77.7	29%	0.289	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-34.9	177.5	0	0	0	0	0	112.7	E560 V561 T562 D568	E560-A564 PolarHBondContact O-N 3.49Å; V561-A564 PolarHBondContact O-N 3.13Å; T562-A564 PolarHBondContact O-N 3.41Å; A564-D568 VanDerWaalsContact O-CB 3.29Å; A564-D568 WeakPolarHBondContact O-CB 3.4Å; A564-D568 PolarHBondContact O-N 3.47Å
565	V	85.4	Confident	81.8	Confident	10 Å²	10	79.5 Å²	79.5	6%	0.061	41%	0.41	C	S	.	.	H	α-helix	trans	-70.4	-40	174.2	171.4	0	0	0	0	111.3	V561 T562 K563 D568 F569 L585 L589 L604 W609	V561-V565 HydrophobicContact CG1-CG2 4.26Å; V561-V565 VanDerWaalsContact O-CG2 3.29Å; V561-V565 WeakPolarHBondContact O-CG2 3.24Å; V561-V565 PolarHBondContact O-N 3.18Å; T562-V565 PolarHBondContact O-N 3.32Å; K563-V565 VanDerWaalsContact C-N 3.28Å; K563-V565 PolarHBondContact O-N 2.89Å; V565-D568 PolarHBondContact O-N 3.06Å; V565-F569 VanDerWaalsContact O-CB 3.31Å; V565-F569 WeakPolarHBondContact O-CB 3.08Å; V565-F569 PolarHBondContact O-N 2.91Å; V565-L585 HydrophobicContact CG1-CD1 4.04Å; V565-L589 HydrophobicContact CG1-CD2 4.09Å; V565-L604 HydrophobicContact CG2-CD2 4.47Å; V565-W609 HydrophobicContact CB-CZ2 4.35Å; V565-W609 HydrophobicContact CG1-CH2 3.79Å; V565-W609 HydrophobicContact CG1-CZ2 3.82Å; V565-W609 HydrophobicContact CG1-CZ3 4.37Å; V565-W609 HydrophobicContact CG2-CD2 3.85Å; V565-W609 HydrophobicContact CG2-CE3 4.1Å; V565-W609 HydrophobicContact CG2-CG 4.34Å; V565-W609 HydrophobicContact CG2-CH2 4.29Å; V565-W609 HydrophobicContact CG2-CZ2 4.04Å; V565-W609 HydrophobicContact CG2-CZ3 4.32Å
566	E	85.8	Confident	81	Confident	115 Å²	115	81.6 Å²	81.6	54%	0.537	42%	0.424	S	S	.	.	H	α-helix	trans	-61.4	-49.5	174.9	-73.5	173.6	-179.3	0	0	111.1	T562 K563 D568 F569 V570	T562-E566 WeakPolarHBondContact O-CG 3.44Å; T562-E566 PolarHBondContact O-N 2.99Å; K563-E566 WeakPolarHBondContact O-CB 3.33Å; K563-E566 PolarHBondContact O-N 3.26Å; E566-D568 PolarHBondContact O-N 2.87Å; E566-F569 PolarHBondContact O-N 2.97Å; E566-V570 VanDerWaalsContact O-CG2 3.31Å; E566-V570 WeakPolarHBondContact O-CG2 3.47Å; E566-V570 PolarHBondContact O-N 2.78Å
567	D	85.9	Confident	80	Confident	105 Å²	105	82.7 Å²	82.7	56%	0.561	43%	0.429	S	S	*	.	H	α-helix	trans	-59.5	-46.7	177.2	-70.9	-25.2	0	0	0	111	K563 F569 V570 D571	K563-D567 PolarHBondContact O-N 3.4Å; D567-F569 VanDerWaalsContact C-N 3.34Å; D567-F569 PolarHBondContact O-N 3.16Å; D567-V570 PolarHBondContact O-N 2.81Å; D567-D571 WeakPolarHBondContact O-CB 3.1Å; D567-D571 PolarHBondContact O-N 2.98Å
568	D	83.1	Confident	79	Confident	32 Å²	32	87.8 Å²	87.8	17%	0.171	45%	0.451	C	S	.	.	H	α-helix	trans	-60.4	-41.3	175.9	-89.8	-0.7	0	0	0	111.7	A564 V565 E566 D571 M572 W609 K613	A564-D568 VanDerWaalsContact O-CB 3.29Å; A564-D568 WeakPolarHBondContact O-CB 3.4Å; A564-D568 PolarHBondContact O-N 3.47Å; V565-D568 PolarHBondContact O-N 3.06Å; E566-D568 PolarHBondContact O-N 2.87Å; D568-D571 PolarHBondContact O-N 3.1Å; D568-M572 WeakPolarHBondContact O-CG 3.5Å; D568-M572 PolarHBondContact O-N 3.45Å; D568-W609 PolarHBondContact OD2-NE1 3.45Å; D568-K613 IonicContact OD1-NZ 2.91Å; D568-K613 IonicContact OD2-NZ 3.75Å; D568-K613 PolarHBondContact OD2-NZ 3.32Å
569	F	82.8	Confident	78.2	Confident	32 Å²	32	87.5 Å²	87.5	14%	0.14	45%	0.449	C	S	.	.	H	α-helix	trans	-67.3	-38	179.2	179.1	-113.3	0	0	0	112.1	V565 E566 D567 R573 I580 L585	V565-F569 VanDerWaalsContact O-CB 3.31Å; V565-F569 WeakPolarHBondContact O-CB 3.08Å; V565-F569 PolarHBondContact O-N 2.91Å; E566-F569 PolarHBondContact O-N 2.97Å; D567-F569 VanDerWaalsContact C-N 3.34Å; D567-F569 PolarHBondContact O-N 3.16Å; F569-R573 VanDerWaalsContact CZ-NH1 3.34Å; F569-R573 PolarHBondContact O-N 3.02Å; F569-I580 HydrophobicContact CD2-CG2 4.33Å; F569-I580 HydrophobicContact CE2-CG2 3.84Å; F569-L585 HydrophobicContact CB-CD1 4.22Å; F569-L585 HydrophobicContact CB-CD2 4.33Å; F569-L585 HydrophobicContact CD1-CD2 4.02Å; F569-L585 HydrophobicContact CD2-CB 3.97Å; F569-L585 HydrophobicContact CD2-CD1 3.86Å; F569-L585 HydrophobicContact CD2-CD2 3.79Å; F569-L585 HydrophobicContact CD2-CG 4.08Å; F569-L585 HydrophobicContact CE1-CD2 4.2Å; F569-L585 HydrophobicContact CE2-CB 3.77Å; F569-L585 HydrophobicContact CE2-CD2 3.98Å; F569-L585 HydrophobicContact CE2-CG 4.3Å; F569-L585 HydrophobicContact CG-CD1 4.22Å; F569-L585 HydrophobicContact CG-CD2 3.79Å; F569-L585 HydrophobicContact CG-CG 4.47Å; F569-L585 HydrophobicContact CZ-CB 4.43Å; F569-L585 HydrophobicContact CZ-CD2 4.16Å
570	V	84.6	Confident	77.9	Confident	80 Å²	80	81.7 Å²	81.7	49%	0.485	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-46.5	172.3	178	0	0	0	0	109.4	E566 D567 M572 R573 K574	E566-V570 VanDerWaalsContact O-CG2 3.31Å; E566-V570 WeakPolarHBondContact O-CG2 3.47Å; E566-V570 PolarHBondContact O-N 2.78Å; D567-V570 PolarHBondContact O-N 2.81Å; V570-M572 PolarHBondContact O-N 3.27Å; V570-R573 CarbonylContact O-C 3.6Å; V570-R573 PolarHBondContact O-N 2.88Å; V570-R573 VanDerWaalsContact O-N 3.12Å; V570-K574 WeakPolarHBondContact O-CG 3.41Å; V570-K574 PolarHBondContact O-N 2.9Å
571	D	84	Confident	77.9	Confident	74 Å²	74	75.9 Å²	75.9	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-59.7	-45.9	178.8	-77.5	-13.3	0	0	0	112.6	D567 D568 R573 K574	D567-D571 WeakPolarHBondContact O-CB 3.1Å; D567-D571 PolarHBondContact O-N 2.98Å; D568-D571 PolarHBondContact O-N 3.1Å; D571-R573 PolarHBondContact O-N 2.97Å; D571-K574 WeakPolarHBondContact O-CB 3.47Å; D571-K574 PolarHBondContact O-N 2.81Å; D571-K574 WeakPolarHBondContact OD1-CD 3.49Å; D571-K574 WeakPolarHBondContact OD1-CE 3.49Å; D571-K574 IonicContact OD1-NZ 3.8Å; D571-K574 PolarHBondContact OD1-NZ 2.77Å
572	M	77.3	Confident	77.8	Confident	60 Å²	60	78 Å²	78	30%	0.296	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-23.4	178.3	-62.1	168.4	85.2	0	0	112.8	D568 V570 I580 M588 K613	D568-M572 WeakPolarHBondContact O-CG 3.5Å; D568-M572 PolarHBondContact O-N 3.45Å; V570-M572 PolarHBondContact O-N 3.27Å; M572-I580 HydrophobicContact CB-CD1 3.38Å; M572-I580 HydrophobicContact CE-CD1 3.32Å; M572-I580 HydrophobicContact CG-CD1 4.11Å; M572-I580 HydrophobicContact SD-CD1 3.94Å; M572-M588 HydrophobicContact CE-CE 4.3Å; M572-M588 HydrophobicContact CE-SD 4.21Å; M572-M588 HydrophobicContact SD-CE 4.43Å; M572-K613 HydrophobicContact SD-CD 4.32Å
573	R	80.8	Confident	77.6	Confident	93 Å²	93	81.7 Å²	81.7	35%	0.351	43%	0.433	S	S	.	.	H	α-helix	trans	-89.4	-13.1	173.6	-78.4	-176.8	153.1	-178.7	-6.3	114.1	F569 V570 D571 D575 D576 I580	F569-R573 VanDerWaalsContact CZ-NH1 3.34Å; F569-R573 PolarHBondContact O-N 3.02Å; V570-R573 CarbonylContact O-C 3.6Å; V570-R573 PolarHBondContact O-N 2.88Å; V570-R573 VanDerWaalsContact O-N 3.12Å; D571-R573 PolarHBondContact O-N 2.97Å; R573-D575 VanDerWaalsContact C-N 3.28Å; R573-D576 CarbonylContact O-C 3.58Å; R573-I580 VanDerWaalsContact CZ-O 3.31Å; R573-I580 PolarHBondContact NE-O 3.42Å; R573-I580 PolarHBondContact NH2-O 3.3Å
574	K	77.6	Confident	77.3	Confident	144 Å²	144	76.4 Å²	76.4	63%	0.626	41%	0.412	S	S	*	.	H	α-helix	trans	-65.2	-36.3	174.8	-74	176.4	-170.4	169.7	0	111	V570 D571	V570-K574 WeakPolarHBondContact O-CG 3.41Å; V570-K574 PolarHBondContact O-N 2.9Å; D571-K574 WeakPolarHBondContact O-CB 3.47Å; D571-K574 PolarHBondContact O-N 2.81Å; D571-K574 WeakPolarHBondContact OD1-CD 3.49Å; D571-K574 WeakPolarHBondContact OD1-CE 3.49Å; D571-K574 IonicContact OD1-NZ 3.8Å; D571-K574 PolarHBondContact OD1-NZ 2.77Å
575	D	65.3	Low	77.3	Confident	152 Å²	152	76.3 Å²	76.3	81%	0.813	41%	0.406	S	S	*	.	H	α-helix	trans	-81.3	-36.9	-176.4	-65.2	-25.4	0	0	0	112.8	R573	R573-D575 VanDerWaalsContact C-N 3.28Å
576	D	66.1	Low	77.2	Confident	79 Å²	79	78.7 Å²	78.7	42%	0.422	42%	0.416	S	S	.	.			trans	-151.1	113.6	171.6	177.8	4.4	0	0	0	111.5	R573 Q578 S579	R573-D576 CarbonylContact O-C 3.58Å; D576-Q578 PolarHBondContact O-N 3.07Å; D576-Q578 PolarHBondContact OD1-N 3.02Å; D576-S579 PolarHBondContact O-N 2.78Å; D576-S579 PolarHBondContact O-OG 3.12Å
577	P	61.9	Low	77.1	Confident	99 Å²	99	75.1 Å²	75.1	64%	0.643	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.1	-179	-23.7	33.3	0	0	0	115.7
578	Q	61.4	Low	77.2	Confident	182 Å²	182	70.3 Å²	70.3	85%	0.85	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-7.3	-179.9	-74	-167	-3	0	0	114.1	D576 I580	D576-Q578 PolarHBondContact O-N 3.07Å; D576-Q578 PolarHBondContact OD1-N 3.02Å; Q578-I580 VanDerWaalsContact C-N 3.32Å; Q578-I580 PolarHBondContact O-N 3.09Å
579	S	66	Low	77.3	Confident	42 Å²	42	71.1 Å²	71.1	29%	0.294	38%	0.376	S	S	.	.	S	Bend	trans	-66.4	-29	-173.2	62.6	0	0	0	0	114.8	D576 R620	D576-S579 PolarHBondContact O-N 2.78Å; D576-S579 PolarHBondContact O-OG 3.12Å; S579-R620 PolarHBondContact O-NH1 2.95Å
580	I	73.4	Confident	77.6	Confident	9 Å²	9	70.2 Å²	70.2	5%	0.046	37%	0.373	C	S	.	.			trans	-138.4	121	-173.3	-58.8	164.7	0	0	0	110.2	F569 M572 R573 Q578 D584 M588	F569-I580 HydrophobicContact CD2-CG2 4.33Å; F569-I580 HydrophobicContact CE2-CG2 3.84Å; M572-I580 HydrophobicContact CB-CD1 3.38Å; M572-I580 HydrophobicContact CE-CD1 3.32Å; M572-I580 HydrophobicContact CG-CD1 4.11Å; M572-I580 HydrophobicContact SD-CD1 3.94Å; R573-I580 VanDerWaalsContact CZ-O 3.31Å; R573-I580 PolarHBondContact NE-O 3.42Å; R573-I580 PolarHBondContact NH2-O 3.3Å; Q578-I580 VanDerWaalsContact C-N 3.32Å; Q578-I580 PolarHBondContact O-N 3.09Å; I580-D584 HydrophobicContact CG2-CB 3.77Å; I580-M588 HydrophobicContact CG2-CE 4.2Å
581	S	80.3	Confident	77.8	Confident	44 Å²	44	66.4 Å²	66.4	31%	0.308	35%	0.35	S	S	.	.			trans	-85.7	167.6	174.8	66.5	0	0	0	0	112.2	D583 D584 L585	S581-D583 PolarHBondContact O-N 3.32Å; S581-D584 PolarHBondContact N-OD2 3.23Å; S581-D584 WeakPolarHBondContact O-CB 3.47Å; S581-D584 PolarHBondContact O-N 3.45Å; S581-D584 PolarHBondContact OG-N 3.15Å; S581-D584 VanDerWaalsContact OG-N 3.14Å; S581-D584 PolarHBondContact OG-OD2 3.35Å; S581-L585 PolarHBondContact O-N 3.28Å
582	A	79.8	Confident	78.1	Confident	66 Å²	66	62.9 Å²	62.9	55%	0.545	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-33.4	171.9	0	0	0	0	0	111.8	D584 L585 H586	A582-D584 VanDerWaalsContact C-N 3.32Å; A582-D584 PolarHBondContact O-N 3.48Å; A582-L585 WeakPolarHBondContact O-CB 3.47Å; A582-L585 PolarHBondContact O-N 3.32Å; A582-H586 PolarHBondContact O-N 2.96Å
583	D	78.8	Confident	78.7	Confident	126 Å²	126	61.4 Å²	61.4	67%	0.674	32%	0.322	S	S	*	.	H	α-helix	trans	-67.3	-34.4	176.4	-61	-31.5	0	0	0	111.7	S581 H586 R587	S581-D583 PolarHBondContact O-N 3.32Å; D583-H586 PolarHBondContact O-N 2.87Å; D583-R587 PolarHBondContact O-N 3.35Å
584	D	80	Confident	79.1	Confident	25 Å²	25	57.2 Å²	57.2	13%	0.134	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-40.2	173.5	-65.8	-49.8	0	0	0	112.1	I580 S581 A582 R587 M588 R620	I580-D584 HydrophobicContact CG2-CB 3.77Å; S581-D584 PolarHBondContact N-OD2 3.23Å; S581-D584 WeakPolarHBondContact O-CB 3.47Å; S581-D584 PolarHBondContact O-N 3.45Å; S581-D584 PolarHBondContact OG-N 3.15Å; S581-D584 VanDerWaalsContact OG-N 3.14Å; S581-D584 PolarHBondContact OG-OD2 3.35Å; A582-D584 VanDerWaalsContact C-N 3.32Å; A582-D584 PolarHBondContact O-N 3.48Å; D584-R587 PolarHBondContact O-N 3.17Å; D584-R587 IonicContact OD1-CZ 2.67Å; D584-R587 IonicContact OD1-NH1 2.88Å; D584-R587 PolarHBondContact OD1-NH1 3.32Å; D584-R587 IonicContact OD1-NH2 3.71Å; D584-R587 PolarHBondContact OD1-NH2 3.18Å; D584-M588 WeakPolarHBondContact O-CG 3.43Å; D584-M588 PolarHBondContact O-N 3.2Å; D584-R620 VanDerWaalsContact CB-NH2 3.32Å; D584-R620 IonicContact OD1-NH2 3.97Å; D584-R620 PolarHBondContact OD1-NH2 3.18Å; D584-R620 VanDerWaalsContact OD1-NH2 3.16Å; D584-R620 IonicContact OD2-NH2 2.78Å; D584-R620 PolarHBondContact OD2-NH2 2.78Å; D584-R620 VanDerWaalsContact OD2-NH2 3.08Å
585	L	83.4	Confident	79.7	Confident	33 Å²	33	50.7 Å²	50.7	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-44.6	173.2	179.4	65.5	0	0	0	110.9	V565 F569 S581 A582 R587 M588 L589 W609	V565-L585 HydrophobicContact CG1-CD1 4.04Å; F569-L585 HydrophobicContact CB-CD1 4.22Å; F569-L585 HydrophobicContact CB-CD2 4.33Å; F569-L585 HydrophobicContact CD1-CD2 4.02Å; F569-L585 HydrophobicContact CD2-CB 3.97Å; F569-L585 HydrophobicContact CD2-CD1 3.86Å; F569-L585 HydrophobicContact CD2-CD2 3.79Å; F569-L585 HydrophobicContact CD2-CG 4.08Å; F569-L585 HydrophobicContact CE1-CD2 4.2Å; F569-L585 HydrophobicContact CE2-CB 3.77Å; F569-L585 HydrophobicContact CE2-CD2 3.98Å; F569-L585 HydrophobicContact CE2-CG 4.3Å; F569-L585 HydrophobicContact CG-CD1 4.22Å; F569-L585 HydrophobicContact CG-CD2 3.79Å; F569-L585 HydrophobicContact CG-CG 4.47Å; F569-L585 HydrophobicContact CZ-CB 4.43Å; F569-L585 HydrophobicContact CZ-CD2 4.16Å; S581-L585 PolarHBondContact O-N 3.28Å; A582-L585 WeakPolarHBondContact O-CB 3.47Å; A582-L585 PolarHBondContact O-N 3.32Å; L585-R587 VanDerWaalsContact C-N 3.31Å; L585-R587 PolarHBondContact O-N 3.48Å; L585-M588 HydrophobicContact CB-CE 4.5Å; L585-M588 HydrophobicContact CD1-CE 4.17Å; L585-M588 PolarHBondContact O-N 2.98Å; L585-L589 HydrophobicContact CG-CD1 4.3Å; L585-L589 WeakPolarHBondContact O-CG 3.31Å; L585-L589 PolarHBondContact O-N 3.29Å; L585-W609 HydrophobicContact CD1-CH2 4.02Å
586	H	83.9	Confident	80.8	Confident	60 Å²	60	43.5 Å²	43.5	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-45.8	175.5	-176.8	67.3	0	0	0	111.3	A582 D583 L589 V590	A582-H586 PolarHBondContact O-N 2.96Å; D583-H586 PolarHBondContact O-N 2.87Å; H586-L589 WeakPolarHBondContact O-CB 3.04Å; H586-L589 PolarHBondContact O-N 2.79Å; H586-V590 WeakPolarHBondContact O-CG2 3.49Å; H586-V590 PolarHBondContact O-N 3.48Å
587	R	83.2	Confident	81.9	Confident	40 Å²	40	39.9 Å²	39.9	15%	0.151	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-46.2	175.4	-178	170.9	70.2	-118.6	-9.6	112.3	D509 D583 D584 L585 L589 V590 V591 E616 R619	D509-R587 WeakPolarHBondContact O-CD 3.5Å; D583-R587 PolarHBondContact O-N 3.35Å; D584-R587 PolarHBondContact O-N 3.17Å; D584-R587 IonicContact OD1-CZ 2.67Å; D584-R587 IonicContact OD1-NH1 2.88Å; D584-R587 PolarHBondContact OD1-NH1 3.32Å; D584-R587 IonicContact OD1-NH2 3.71Å; D584-R587 PolarHBondContact OD1-NH2 3.18Å; L585-R587 VanDerWaalsContact C-N 3.31Å; L585-R587 PolarHBondContact O-N 3.48Å; R587-L589 VanDerWaalsContact C-N 3.3Å; R587-L589 PolarHBondContact O-N 3.2Å; R587-V590 PolarHBondContact O-N 2.79Å; R587-V591 HydrophobicContact CG-CG2 4.41Å; R587-V591 WeakPolarHBondContact O-CG2 3.5Å; R587-V591 PolarHBondContact O-N 2.87Å; R587-E616 IonicContact CZ-OE1 2.7Å; R587-E616 IonicContact NE-OE1 2.69Å; R587-E616 PolarHBondContact NE-OE1 2.71Å; R587-E616 IonicContact NE-OE2 3.76Å; R587-E616 IonicContact NH2-OE1 3.18Å; R587-E616 PolarHBondContact NH2-OE1 3.03Å; R587-R619 VanDerWaalsContact CZ-NH2 3.29Å
588	M	86.5	Confident	83.1	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-40.4	177.6	-74.5	-173	-64.9	0	0	111.8	M572 I580 D584 L585 V591 A592 W609 E616	M572-M588 HydrophobicContact CE-CE 4.3Å; M572-M588 HydrophobicContact CE-SD 4.21Å; M572-M588 HydrophobicContact SD-CE 4.43Å; I580-M588 HydrophobicContact CG2-CE 4.2Å; D584-M588 WeakPolarHBondContact O-CG 3.43Å; D584-M588 PolarHBondContact O-N 3.2Å; L585-M588 HydrophobicContact CB-CE 4.5Å; L585-M588 HydrophobicContact CD1-CE 4.17Å; L585-M588 PolarHBondContact O-N 2.98Å; M588-V591 PolarHBondContact O-N 3.23Å; M588-A592 VanDerWaalsContact O-CB 3.25Å; M588-A592 WeakPolarHBondContact O-CB 3.47Å; M588-A592 PolarHBondContact O-N 2.78Å; M588-W609 HydrophobicContact CB-CH2 3.99Å; M588-W609 HydrophobicContact CB-CZ3 4.03Å; M588-E616 HydrophobicContact CG-CB 4.41Å; M588-E616 HydrophobicContact CG-CG 3.94Å; M588-E616 HydrophobicContact SD-CG 4.41Å
589	L	87.1	Confident	84.3	Confident	48 Å²	48	28.6 Å²	28.6	25%	0.251	16%	0.161	S	C	.	.	H	α-helix	trans	-63.7	-42	174.8	-76.8	172.4	0	0	0	112.2	V565 L585 H586 R587 A592 R593 W609	V565-L589 HydrophobicContact CG1-CD2 4.09Å; L585-L589 HydrophobicContact CG-CD1 4.3Å; L585-L589 WeakPolarHBondContact O-CG 3.31Å; L585-L589 PolarHBondContact O-N 3.29Å; H586-L589 WeakPolarHBondContact O-CB 3.04Å; H586-L589 PolarHBondContact O-N 2.79Å; R587-L589 VanDerWaalsContact C-N 3.3Å; R587-L589 PolarHBondContact O-N 3.2Å; L589-A592 PolarHBondContact O-N 2.93Å; L589-R593 WeakPolarHBondContact O-CB 3.14Å; L589-R593 PolarHBondContact O-N 3.22Å; L589-W609 HydrophobicContact CD2-CH2 4.5Å; L589-W609 HydrophobicContact CD2-CZ3 3.93Å; L589-W609 HydrophobicContact CG-CZ3 4.31Å
590	V	88.1	Confident	85.2	Confident	13 Å²	13	27.3 Å²	27.3	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-46.7	175.4	172.7	0	0	0	0	110.7	F377 H586 R587 A592 R593 L594	F377-V590 HydrophobicContact CB-CG1 4.35Å; F377-V590 HydrophobicContact CD2-CG1 3.83Å; H586-V590 WeakPolarHBondContact O-CG2 3.49Å; H586-V590 PolarHBondContact O-N 3.48Å; R587-V590 PolarHBondContact O-N 2.79Å; V590-A592 PolarHBondContact O-N 3.25Å; V590-R593 PolarHBondContact O-N 3.43Å; V590-L594 HydrophobicContact CG1-CD1 3.75Å; V590-L594 HydrophobicContact CG1-CG 4.36Å; V590-L594 WeakPolarHBondContact O-CB 3.36Å; V590-L594 VanDerWaalsContact O-CG 3.25Å; V590-L594 WeakPolarHBondContact O-CG 3.45Å; V590-L594 PolarHBondContact O-N 3.48Å
591	V	89.6	Confident	85.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-46.1	176.3	170.2	0	0	0	0	111	F356 L359 F377 R587 M588 R593 L594 L595 A612	F356-V591 HydrophobicContact CE1-CG2 4.2Å; L359-V591 HydrophobicContact CD1-CG1 3.99Å; F377-V591 HydrophobicContact CE2-CG2 3.71Å; F377-V591 HydrophobicContact CZ-CG2 4.16Å; R587-V591 HydrophobicContact CG-CG2 4.41Å; R587-V591 WeakPolarHBondContact O-CG2 3.5Å; R587-V591 PolarHBondContact O-N 2.87Å; M588-V591 PolarHBondContact O-N 3.23Å; V591-R593 VanDerWaalsContact C-N 3.35Å; V591-R593 PolarHBondContact O-N 2.66Å; V591-L594 PolarHBondContact O-N 2.57Å; V591-L595 HydrophobicContact CG1-CD1 3.81Å; V591-L595 HydrophobicContact CG1-CG 4.37Å; V591-L595 WeakPolarHBondContact O-CB 3.17Å; V591-L595 VanDerWaalsContact O-CG 3.28Å; V591-L595 WeakPolarHBondContact O-CG 3.24Å; V591-L595 PolarHBondContact O-N 3.2Å; V591-A612 HydrophobicContact CG1-CB 4.01Å
592	A	89.9	Confident	85.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-42.6	178.9	0	0	0	0	0	112	M588 L589 V590 L595 S596 L604 W609 A612	M588-A592 VanDerWaalsContact O-CB 3.25Å; M588-A592 WeakPolarHBondContact O-CB 3.47Å; M588-A592 PolarHBondContact O-N 2.78Å; L589-A592 PolarHBondContact O-N 2.93Å; V590-A592 PolarHBondContact O-N 3.25Å; A592-L595 PolarHBondContact O-N 3.4Å; A592-S596 PolarHBondContact O-N 2.87Å; A592-S596 PolarHBondContact O-OG 3.29Å; A592-L604 HydrophobicContact CB-CD1 3.78Å; A592-W609 HydrophobicContact CB-CE3 3.79Å; A592-W609 HydrophobicContact CB-CZ3 4.28Å; A592-A612 HydrophobicContact CB-CB 3.61Å
593	R	89.4	Confident	86.2	Confident	29 Å²	29	30.5 Å²	30.5	11%	0.109	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-51.8	172.5	170	176.7	172.6	166.3	-3.4	111.7	Y366 Y555 L589 V590 V591 L595 S596 L597	Y366-R593 VanDerWaalsContact CD1-CZ 3.46Å; Y366-R593 VanDerWaalsContact CD2-NH1 3.3Å; Y555-R593 HydrophobicContact CD1-CB 4.27Å; Y555-R593 HydrophobicContact CD1-CG 3.64Å; Y555-R593 HydrophobicContact CD2-CG 4.04Å; Y555-R593 HydrophobicContact CE1-CB 3.75Å; Y555-R593 HydrophobicContact CE1-CG 3.64Å; Y555-R593 HydrophobicContact CE2-CB 4.37Å; Y555-R593 HydrophobicContact CE2-CG 4.08Å; Y555-R593 HydrophobicContact CG-CG 3.8Å; L589-R593 WeakPolarHBondContact O-CB 3.14Å; L589-R593 PolarHBondContact O-N 3.22Å; V590-R593 PolarHBondContact O-N 3.43Å; V591-R593 VanDerWaalsContact C-N 3.35Å; V591-R593 PolarHBondContact O-N 2.66Å; R593-L595 VanDerWaalsContact C-N 3.25Å; R593-L595 PolarHBondContact O-N 3.45Å; R593-S596 WeakPolarHBondContact O-CB 3.48Å; R593-S596 PolarHBondContact O-N 2.97Å; R593-S596 VanDerWaalsContact O-N 3.17Å; R593-L597 HydrophobicContact CG-CD1 4.02Å; R593-L597 HydrophobicContact CG-CG 4.29Å; R593-L597 WeakPolarHBondContact O-CG 3.33Å; R593-L597 PolarHBondContact O-N 3.46Å
594	L	88.6	Confident	86.6	Confident	6 Å²	6	24.7 Å²	24.7	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-35.3	-177.2	-67.9	168.7	0	0	0	111.2	L359 L362 F377 V590 V591 L597 S598	L359-L594 HydrophobicContact CB-CB 4.11Å; L359-L594 HydrophobicContact CB-CD1 4.14Å; L359-L594 VanDerWaalsContact CD2-C 3.44Å; L359-L594 HydrophobicContact CD2-CB 3.53Å; L359-L594 HydrophobicContact CG-CB 4.3Å; L362-L594 HydrophobicContact CB-CD2 4.23Å; F377-L594 HydrophobicContact CB-CD1 3.95Å; F377-L594 HydrophobicContact CD1-CD1 4.44Å; F377-L594 HydrophobicContact CD2-CD1 4.12Å; F377-L594 HydrophobicContact CG-CD1 3.91Å; V590-L594 HydrophobicContact CG1-CD1 3.75Å; V590-L594 HydrophobicContact CG1-CG 4.36Å; V590-L594 WeakPolarHBondContact O-CB 3.36Å; V590-L594 VanDerWaalsContact O-CG 3.25Å; V590-L594 WeakPolarHBondContact O-CG 3.45Å; V590-L594 PolarHBondContact O-N 3.48Å; V591-L594 PolarHBondContact O-N 2.57Å; L594-L597 PolarHBondContact O-N 3.47Å; L594-S598 VanDerWaalsContact O-CB 3.28Å; L594-S598 WeakPolarHBondContact O-CB 3.38Å; L594-S598 PolarHBondContact O-N 3.14Å; L594-S598 PolarHBondContact O-OG 3.37Å
595	L	90	Very high	86.9	Confident	7 Å²	7	25.6 Å²	25.6	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-47	172.8	-75.4	167.5	0	0	0	111.5	L359 V591 A592 R593 S598 L599 A612 I615	L359-L595 HydrophobicContact CD1-CD2 4.21Å; L359-L595 HydrophobicContact CD1-CG 4.14Å; L359-L595 HydrophobicContact CD2-CB 4.47Å; L359-L595 HydrophobicContact CD2-CD2 3.85Å; L359-L595 HydrophobicContact CD2-CG 3.87Å; V591-L595 HydrophobicContact CG1-CD1 3.81Å; V591-L595 HydrophobicContact CG1-CG 4.37Å; V591-L595 WeakPolarHBondContact O-CB 3.17Å; V591-L595 VanDerWaalsContact O-CG 3.28Å; V591-L595 WeakPolarHBondContact O-CG 3.24Å; V591-L595 PolarHBondContact O-N 3.2Å; A592-L595 PolarHBondContact O-N 3.4Å; R593-L595 VanDerWaalsContact C-N 3.25Å; R593-L595 PolarHBondContact O-N 3.45Å; L595-S598 PolarHBondContact O-N 3.04Å; L595-S598 PolarHBondContact O-OG 3.43Å; L595-L599 WeakPolarHBondContact O-CG 3.28Å; L595-L599 PolarHBondContact O-N 3.3Å; L595-A612 HydrophobicContact CD1-CB 3.79Å; L595-I615 HydrophobicContact CD1-CD1 3.97Å; L595-I615 HydrophobicContact CD2-CD1 4.06Å
596	S	90.1	Very high	86.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-48	174.9	-71.4	0	0	0	0	111.9	A592 R593 S598 L599 G600 Q601 S608	A592-S596 PolarHBondContact O-N 2.87Å; A592-S596 PolarHBondContact O-OG 3.29Å; R593-S596 WeakPolarHBondContact O-CB 3.48Å; R593-S596 PolarHBondContact O-N 2.97Å; R593-S596 VanDerWaalsContact O-N 3.17Å; S596-S598 VanDerWaalsContact C-N 3.29Å; S596-S598 PolarHBondContact O-N 3.14Å; S596-L599 PolarHBondContact O-N 2.87Å; S596-G600 PolarHBondContact O-N 2.83Å; S596-Q601 CarbonylContact C-O 3.58Å; S596-Q601 WeakPolarHBondContact O-CB 3.27Å; S596-Q601 PolarHBondContact O-N 3.01Å; S596-S608 WeakPolarHBondContact OG-CB 3.47Å
597	L	88.3	Confident	87.1	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-40.3	178.4	-74.6	-178.5	0	0	0	112.3	M332 L553 Y555 R593 L594 L599 G600	M332-L597 VanDerWaalsContact CE-O 3.28Å; M332-L597 WeakPolarHBondContact CE-O 3.47Å; L553-L597 HydrophobicContact CB-CD2 3.81Å; L553-L597 HydrophobicContact CD1-CD2 4.36Å; Y555-L597 HydrophobicContact CD2-CD2 4.07Å; Y555-L597 HydrophobicContact CD2-CG 4.24Å; R593-L597 HydrophobicContact CG-CD1 4.02Å; R593-L597 HydrophobicContact CG-CG 4.29Å; R593-L597 WeakPolarHBondContact O-CG 3.33Å; R593-L597 PolarHBondContact O-N 3.46Å; L594-L597 PolarHBondContact O-N 3.47Å; L597-L599 PolarHBondContact O-N 3.13Å; L597-G600 PolarHBondContact O-N 3.25Å
598	S	88.4	Confident	87.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-20.3	178.2	78.5	0	0	0	0	114.1	R336 F546 L594 L595 S596	R336-S598 WeakPolarHBondContact CD-O 3.45Å; R336-S598 WeakPolarHBondContact CD-OG 3.42Å; R336-S598 PolarHBondContact NE-OG 3.28Å; R336-S598 PolarHBondContact NH1-OG 3.28Å; F546-S598 WeakPolarHBondContact CE2-O 3.42Å; F546-S598 VanDerWaalsContact CZ-O 3.31Å; F546-S598 WeakPolarHBondContact CZ-O 3.38Å; L594-S598 VanDerWaalsContact O-CB 3.28Å; L594-S598 WeakPolarHBondContact O-CB 3.38Å; L594-S598 PolarHBondContact O-N 3.14Å; L594-S598 PolarHBondContact O-OG 3.37Å; L595-S598 PolarHBondContact O-N 3.04Å; L595-S598 PolarHBondContact O-OG 3.43Å; S596-S598 VanDerWaalsContact C-N 3.29Å; S596-S598 PolarHBondContact O-N 3.14Å
599	L	85.9	Confident	87.4	Confident	43 Å²	43	32.9 Å²	32.9	23%	0.225	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1.3	174.1	-66.2	169.1	0	0	0	112.1	L595 S596 L597 Q601	L595-L599 WeakPolarHBondContact O-CG 3.28Å; L595-L599 PolarHBondContact O-N 3.3Å; S596-L599 PolarHBondContact O-N 2.87Å; L597-L599 PolarHBondContact O-N 3.13Å; L599-Q601 VanDerWaalsContact C-N 3.29Å; L599-Q601 HydrophobicContact CB-CG 4.22Å
600	G	83.7	Confident	87.4	Confident	16 Å²	16	34.2 Å²	34.2	17%	0.165	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	15.7	-173.4	0	0	0	0	0	113.9	L329 M332 S596 L597	L329-G600 WeakPolarHBondContact CD2-O 3.18Å; M332-G600 VanDerWaalsContact SD-CA 3.56Å; S596-G600 PolarHBondContact O-N 2.83Å; L597-G600 PolarHBondContact O-N 3.25Å
601	Q	85	Confident	87.3	Confident	64 Å²	64	38.9 Å²	38.9	30%	0.299	19%	0.193	S	C	.	.			trans	-89.2	123.3	177.2	-61.2	-178.4	-9.3	0	0	110	S596 L599 S603 T605 S608	S596-Q601 CarbonylContact C-O 3.58Å; S596-Q601 WeakPolarHBondContact O-CB 3.27Å; S596-Q601 PolarHBondContact O-N 3.01Å; L599-Q601 VanDerWaalsContact C-N 3.29Å; L599-Q601 HydrophobicContact CB-CG 4.22Å; Q601-S603 VanDerWaalsContact C-N 3.3Å; Q601-T605 PolarHBondContact OE1-OG1 3.2Å; Q601-S608 PolarHBondContact OE1-OG 2.91Å
602	T	84.9	Confident	87.3	Confident	70 Å²	70	38.9 Å²	38.9	43%	0.429	19%	0.193	S	C	.	.	S	Bend	trans	-86.1	-0.8	177.4	53.3	0	0	0	0	113.3	D554 Y555 S556	D554-T602 VanDerWaalsContact O-CB 3.3Å; D554-T602 WeakPolarHBondContact O-CB 3.36Å; D554-T602 WeakPolarHBondContact O-CG2 3.34Å; Y555-T602 WeakPolarHBondContact CA-O 3.3Å; S556-T602 PolarHBondContact N-O 2.77Å
603	S	85.6	Confident	87.2	Confident	51 Å²	51	41.1 Å²	41.1	36%	0.357	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-132.4	151.5	176.8	63	0	0	0	0	112.6	S556 Q601 T605	S556-S603 WeakPolarHBondContact O-CA 3.5Å; Q601-S603 VanDerWaalsContact C-N 3.3Å; S603-T605 PolarHBondContact O-N 3.23Å
604	L	86.6	Confident	87.2	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	22%	0.22	C	C	.	.			trans	-70.1	126.8	174.3	-166.7	52.6	0	0	0	110.3	Y555 I557 V561 V565 A592	Y555-L604 WeakPolarHBondContact OH-CA 3.34Å; Y555-L604 WeakPolarHBondContact OH-CB 3.01Å; Y555-L604 VanDerWaalsContact OH-CD1 3.3Å; Y555-L604 WeakPolarHBondContact OH-CD1 3.24Å; I557-L604 HydrophobicContact CG2-CB 4.42Å; I557-L604 HydrophobicContact CG2-CD2 4.31Å; V561-L604 HydrophobicContact CG1-CB 4.11Å; V561-L604 HydrophobicContact CG1-CD2 3.56Å; V561-L604 HydrophobicContact CG1-CG 3.75Å; V565-L604 HydrophobicContact CG2-CD2 4.47Å; A592-L604 HydrophobicContact CB-CD1 3.78Å
605	T	86.6	Confident	87.2	Confident	43 Å²	43	44.7 Å²	44.7	26%	0.264	22%	0.22	S	C	.	.			trans	-106.9	150.5	172.1	51.2	0	0	0	0	110.5	Q601 S603 D607 S608 W609	Q601-T605 PolarHBondContact OE1-OG1 3.2Å; S603-T605 PolarHBondContact O-N 3.23Å; T605-D607 PolarHBondContact O-N 3.23Å; T605-S608 PolarHBondContact O-N 2.57Å; T605-S608 WeakPolarHBondContact OG1-CB 3.5Å; T605-S608 PolarHBondContact OG1-OG 2.91Å; T605-W609 PolarHBondContact O-N 3.5Å
606	R	84.6	Confident	87	Confident	177 Å²	177	44.5 Å²	44.5	67%	0.668	22%	0.219	S	C	*	.	H	α-helix	trans	-56.4	-38.7	177.6	-171.9	174.6	-177.7	154.1	3.8	111.9	S608 W609 L610	R606-S608 VanDerWaalsContact C-N 3.34Å; R606-S608 PolarHBondContact O-N 2.91Å; R606-W609 WeakPolarHBondContact O-CB 3.3Å; R606-W609 PolarHBondContact O-N 2.81Å; R606-L610 HydrophobicContact CG-CD1 4.41Å; R606-L610 WeakPolarHBondContact O-CG 3.29Å; R606-L610 PolarHBondContact O-N 2.84Å
607	D	87	Confident	86.8	Confident	110 Å²	110	49.4 Å²	49.4	59%	0.588	24%	0.244	S	C	*	.	H	α-helix	trans	-66.2	-35.9	177.7	-60.7	-27.8	0	0	0	112.6	T605 R611	T605-D607 PolarHBondContact O-N 3.23Å; D607-R611 WeakPolarHBondContact O-CB 3.32Å; D607-R611 VanDerWaalsContact O-CG 3.3Å; D607-R611 WeakPolarHBondContact O-CG 3.34Å; D607-R611 PolarHBondContact O-N 3.49Å; D607-R611 PolarHBondContact O-NE 3.21Å
608	S	86.1	Confident	86.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71.6	-36	175.9	-58.4	0	0	0	0	111.6	S596 Q601 T605 R606 R611 A612	S596-S608 WeakPolarHBondContact OG-CB 3.47Å; Q601-S608 PolarHBondContact OE1-OG 2.91Å; T605-S608 PolarHBondContact O-N 2.57Å; T605-S608 WeakPolarHBondContact OG1-CB 3.5Å; T605-S608 PolarHBondContact OG1-OG 2.91Å; R606-S608 VanDerWaalsContact C-N 3.34Å; R606-S608 PolarHBondContact O-N 2.91Å; S608-R611 PolarHBondContact O-N 3.46Å; S608-R611 PolarHBondContact OG-NH2 3.15Å; S608-R611 VanDerWaalsContact OG-NH2 3.11Å; S608-A612 WeakPolarHBondContact O-CB 3.49Å; S608-A612 PolarHBondContact O-N 2.96Å
609	W	89.2	Confident	86.5	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-47.8	171.5	176	-114.8	0	0	0	112.5	V565 D568 L585 M588 L589 A592 T605 R606 R611 A612 K613	V565-W609 HydrophobicContact CB-CZ2 4.35Å; V565-W609 HydrophobicContact CG1-CH2 3.79Å; V565-W609 HydrophobicContact CG1-CZ2 3.82Å; V565-W609 HydrophobicContact CG1-CZ3 4.37Å; V565-W609 HydrophobicContact CG2-CD2 3.85Å; V565-W609 HydrophobicContact CG2-CE3 4.1Å; V565-W609 HydrophobicContact CG2-CG 4.34Å; V565-W609 HydrophobicContact CG2-CH2 4.29Å; V565-W609 HydrophobicContact CG2-CZ2 4.04Å; V565-W609 HydrophobicContact CG2-CZ3 4.32Å; D568-W609 PolarHBondContact OD2-NE1 3.45Å; L585-W609 HydrophobicContact CD1-CH2 4.02Å; M588-W609 HydrophobicContact CB-CH2 3.99Å; M588-W609 HydrophobicContact CB-CZ3 4.03Å; L589-W609 HydrophobicContact CD2-CH2 4.5Å; L589-W609 HydrophobicContact CD2-CZ3 3.93Å; L589-W609 HydrophobicContact CG-CZ3 4.31Å; A592-W609 HydrophobicContact CB-CE3 3.79Å; A592-W609 HydrophobicContact CB-CZ3 4.28Å; T605-W609 PolarHBondContact O-N 3.5Å; R606-W609 WeakPolarHBondContact O-CB 3.3Å; R606-W609 PolarHBondContact O-N 2.81Å; W609-R611 VanDerWaalsContact C-N 3.33Å; W609-R611 PolarHBondContact O-N 3.04Å; W609-A612 WeakPolarHBondContact O-CB 3.42Å; W609-A612 PolarHBondContact O-N 2.84Å; W609-K613 HydrophobicContact CZ2-CD 4.14Å; W609-K613 HydrophobicContact CZ2-CG 4.27Å; W609-K613 PolarHBondContact O-N 3.47Å
610	L	87.6	Confident	86.4	Confident	77 Å²	77	54.8 Å²	54.8	40%	0.403	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-40.9	176.9	-69.2	175.8	0	0	0	112	R606 K613 H614	R606-L610 HydrophobicContact CG-CD1 4.41Å; R606-L610 WeakPolarHBondContact O-CG 3.29Å; R606-L610 PolarHBondContact O-N 2.84Å; L610-K613 PolarHBondContact O-N 3.09Å; L610-H614 PolarHBondContact O-N 2.89Å
611	R	87.4	Confident	86.4	Confident	111 Å²	111	56.3 Å²	56.3	42%	0.419	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-42.1	174.3	-77.2	-177.9	-70.6	-176.1	2.9	112.3	D607 S608 W609 K613 H614 I615	D607-R611 WeakPolarHBondContact O-CB 3.32Å; D607-R611 VanDerWaalsContact O-CG 3.3Å; D607-R611 WeakPolarHBondContact O-CG 3.34Å; D607-R611 PolarHBondContact O-N 3.49Å; D607-R611 PolarHBondContact O-NE 3.21Å; S608-R611 PolarHBondContact O-N 3.46Å; S608-R611 PolarHBondContact OG-NH2 3.15Å; S608-R611 VanDerWaalsContact OG-NH2 3.11Å; W609-R611 VanDerWaalsContact C-N 3.33Å; W609-R611 PolarHBondContact O-N 3.04Å; R611-K613 PolarHBondContact O-N 2.91Å; R611-H614 PolarHBondContact O-N 2.67Å; R611-I615 WeakPolarHBondContact O-CG1 3.45Å; R611-I615 PolarHBondContact O-N 3.48Å
612	A	88.9	Confident	86.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-45.7	175.4	0	0	0	0	0	111.7	V591 A592 L595 S608 W609 H614 I615 E616	V591-A612 HydrophobicContact CG1-CB 4.01Å; A592-A612 HydrophobicContact CB-CB 3.61Å; L595-A612 HydrophobicContact CD1-CB 3.79Å; S608-A612 WeakPolarHBondContact O-CB 3.49Å; S608-A612 PolarHBondContact O-N 2.96Å; W609-A612 WeakPolarHBondContact O-CB 3.42Å; W609-A612 PolarHBondContact O-N 2.84Å; A612-H614 VanDerWaalsContact C-N 3.32Å; A612-H614 PolarHBondContact O-N 3.41Å; A612-I615 PolarHBondContact O-N 3.01Å; A612-E616 VanDerWaalsContact O-CB 3.29Å; A612-E616 WeakPolarHBondContact O-CB 3.39Å; A612-E616 PolarHBondContact O-N 2.87Å
613	K	87.6	Confident	85.8	Confident	47 Å²	47	53.1 Å²	53.1	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-43.2	174.9	-69.7	-166.3	-59.9	-175.6	0	111.9	D568 M572 W609 L610 R611 E616 M617	D568-K613 IonicContact OD1-NZ 2.91Å; D568-K613 IonicContact OD2-NZ 3.75Å; D568-K613 PolarHBondContact OD2-NZ 3.32Å; M572-K613 HydrophobicContact SD-CD 4.32Å; W609-K613 HydrophobicContact CZ2-CD 4.14Å; W609-K613 HydrophobicContact CZ2-CG 4.27Å; W609-K613 PolarHBondContact O-N 3.47Å; L610-K613 PolarHBondContact O-N 3.09Å; R611-K613 PolarHBondContact O-N 2.91Å; K613-E616 PolarHBondContact O-N 3.34Å; K613-M617 VanDerWaalsContact O-CB 3.29Å; K613-M617 WeakPolarHBondContact O-CB 3.39Å; K613-M617 PolarHBondContact O-N 3.33Å
614	H	89.1	Confident	85.2	Confident	100 Å²	100	56.6 Å²	56.6	46%	0.463	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-48.2	179.7	-179.8	-101.3	0	0	0	112.6	L610 R611 A612 E616 M617 L618	L610-H614 PolarHBondContact O-N 2.89Å; R611-H614 PolarHBondContact O-N 2.67Å; A612-H614 VanDerWaalsContact C-N 3.32Å; A612-H614 PolarHBondContact O-N 3.41Å; H614-E616 VanDerWaalsContact C-N 3.33Å; H614-E616 PolarHBondContact O-N 3.16Å; H614-M617 WeakPolarHBondContact O-CB 3.3Å; H614-M617 PolarHBondContact O-N 3.28Å; H614-L618 WeakPolarHBondContact O-CG 3.44Å; H614-L618 PolarHBondContact O-N 3.36Å
615	I	88.4	Confident	84.3	Confident	9 Å²	9	62 Å²	62	5%	0.046	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-40	179.4	-68.9	163.8	0	0	0	110.9	L352 E355 F356 L595 R611 A612 L618 R619	L352-I615 HydrophobicContact CD1-CG2 3.82Å; E355-I615 WeakPolarHBondContact OE2-CD1 3.25Å; E355-I615 WeakPolarHBondContact OE2-CG1 3.38Å; F356-I615 HydrophobicContact CD2-CG2 4.11Å; F356-I615 HydrophobicContact CE1-CG2 4.27Å; F356-I615 HydrophobicContact CE2-CG2 3.35Å; F356-I615 HydrophobicContact CZ-CG2 3.46Å; F356-I615 VanDerWaalsContact CZ-CG2 3.46Å; L595-I615 HydrophobicContact CD1-CD1 3.97Å; L595-I615 HydrophobicContact CD2-CD1 4.06Å; R611-I615 WeakPolarHBondContact O-CG1 3.45Å; R611-I615 PolarHBondContact O-N 3.48Å; A612-I615 PolarHBondContact O-N 3.01Å; I615-L618 PolarHBondContact O-N 3.09Å; I615-R619 PolarHBondContact O-N 3.44Å
616	E	85.6	Confident	83	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.014	29%	0.29	C	S	.	.	H	α-helix	trans	-68.1	-37.1	176.9	-179.1	61.1	-169	0	0	112.5	R587 M588 A612 K613 H614 R619 R620	R587-E616 IonicContact CZ-OE1 2.7Å; R587-E616 IonicContact NE-OE1 2.69Å; R587-E616 PolarHBondContact NE-OE1 2.71Å; R587-E616 IonicContact NE-OE2 3.76Å; R587-E616 IonicContact NH2-OE1 3.18Å; R587-E616 PolarHBondContact NH2-OE1 3.03Å; M588-E616 HydrophobicContact CG-CB 4.41Å; M588-E616 HydrophobicContact CG-CG 3.94Å; M588-E616 HydrophobicContact SD-CG 4.41Å; A612-E616 VanDerWaalsContact O-CB 3.29Å; A612-E616 WeakPolarHBondContact O-CB 3.39Å; A612-E616 PolarHBondContact O-N 2.87Å; K613-E616 PolarHBondContact O-N 3.34Å; H614-E616 VanDerWaalsContact C-N 3.33Å; H614-E616 PolarHBondContact O-N 3.16Å; E616-R619 WeakPolarHBondContact O-CB 3.47Å; E616-R619 PolarHBondContact O-N 3.26Å; E616-R619 IonicContact OE1-CZ 3.39Å; E616-R619 IonicContact OE1-NE 3.58Å; E616-R619 PolarHBondContact OE1-NE 3.03Å; E616-R619 IonicContact OE1-NH2 3.57Å; E616-R619 PolarHBondContact OE1-NH2 3.46Å; E616-R619 IonicContact OE2-CZ 2.67Å; E616-R619 IonicContact OE2-NE 3.26Å; E616-R619 PolarHBondContact OE2-NE 3.37Å; E616-R619 IonicContact OE2-NH2 2.93Å; E616-R620 WeakPolarHBondContact O-CG 3.19Å; E616-R620 PolarHBondContact O-N 3.11Å; E616-R620 IonicContact OE1-NE 3.33Å
617	M	85.6	Confident	81.8	Confident	103 Å²	103	61.8 Å²	61.8	51%	0.507	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-47.2	173.2	178.4	179.4	57.9	0	0	111.1	K613 H614 R619 R620 S621	K613-M617 VanDerWaalsContact O-CB 3.29Å; K613-M617 WeakPolarHBondContact O-CB 3.39Å; K613-M617 PolarHBondContact O-N 3.33Å; H614-M617 WeakPolarHBondContact O-CB 3.3Å; H614-M617 PolarHBondContact O-N 3.28Å; M617-R619 VanDerWaalsContact C-N 3.29Å; M617-R619 PolarHBondContact O-N 2.87Å; M617-R620 PolarHBondContact O-N 3.43Å; M617-S621 PolarHBondContact O-N 3.29Å; M617-S621 PolarHBondContact O-OG 2.96Å
618	L	86.4	Confident	80	Confident	76 Å²	76	60 Å²	60	40%	0.398	29%	0.286	S	S	.	.	H	α-helix	trans	-57.6	-42.8	175.7	-71.4	175	0	0	0	111.9	L352 H614 I615 S621 R622	L352-L618 HydrophobicContact CD1-CB 4.21Å; L352-L618 HydrophobicContact CD1-CD1 4.32Å; L352-L618 HydrophobicContact CD2-CB 4.08Å; H614-L618 WeakPolarHBondContact O-CG 3.44Å; H614-L618 PolarHBondContact O-N 3.36Å; I615-L618 PolarHBondContact O-N 3.09Å; L618-S621 PolarHBondContact O-N 3.06Å; L618-R622 PolarHBondContact O-N 2.61Å
619	R	85.8	Confident	78.4	Confident	23 Å²	23	64.7 Å²	64.7	9%	0.087	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-48.4	175.9	-171.9	-168.1	72.5	82.4	6.2	111.8	F356 C510 H511 I512 R587 I615 E616 M617 R622 M623	F356-R619 HydrophobicContact CE2-CB 4.11Å; F356-R619 HydrophobicContact CE2-CG 4.34Å; F356-R619 HydrophobicContact CZ-CB 4.12Å; F356-R619 HydrophobicContact CZ-CG 4.33Å; C510-R619 WeakPolarHBondContact SG-CD 3.23Å; H511-R619 WeakPolarHBondContact O-CD 3.27Å; H511-R619 PolarHBondContact O-NH1 2.85Å; I512-R619 HydrophobicContact CG1-CG 4.06Å; R587-R619 VanDerWaalsContact CZ-NH2 3.29Å; I615-R619 PolarHBondContact O-N 3.44Å; E616-R619 WeakPolarHBondContact O-CB 3.47Å; E616-R619 PolarHBondContact O-N 3.26Å; E616-R619 IonicContact OE1-CZ 3.39Å; E616-R619 IonicContact OE1-NE 3.58Å; E616-R619 PolarHBondContact OE1-NE 3.03Å; E616-R619 IonicContact OE1-NH2 3.57Å; E616-R619 PolarHBondContact OE1-NH2 3.46Å; E616-R619 IonicContact OE2-CZ 2.67Å; E616-R619 IonicContact OE2-NE 3.26Å; E616-R619 PolarHBondContact OE2-NE 3.37Å; E616-R619 IonicContact OE2-NH2 2.93Å; M617-R619 VanDerWaalsContact C-N 3.29Å; M617-R619 PolarHBondContact O-N 2.87Å; R619-R622 PolarHBondContact O-N 2.82Å; R619-M623 WeakPolarHBondContact O-CG 3.37Å; R619-M623 PolarHBondContact O-N 3.37Å; R619-M623 VanDerWaalsContact O-N 3.08Å
620	R	81.9	Confident	76.3	Confident	61 Å²	61	69 Å²	69	23%	0.23	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-47.9	178.2	-76.6	-179.9	173.8	-135.6	-5.3	111.2	S579 D584 E616 M617 R622 M623 E624	S579-R620 PolarHBondContact O-NH1 2.95Å; D584-R620 VanDerWaalsContact CB-NH2 3.32Å; D584-R620 IonicContact OD1-NH2 3.97Å; D584-R620 PolarHBondContact OD1-NH2 3.18Å; D584-R620 VanDerWaalsContact OD1-NH2 3.16Å; D584-R620 IonicContact OD2-NH2 2.78Å; D584-R620 PolarHBondContact OD2-NH2 2.78Å; D584-R620 VanDerWaalsContact OD2-NH2 3.08Å; E616-R620 WeakPolarHBondContact O-CG 3.19Å; E616-R620 PolarHBondContact O-N 3.11Å; E616-R620 IonicContact OE1-NE 3.33Å; M617-R620 PolarHBondContact O-N 3.43Å; R620-R622 VanDerWaalsContact C-N 3.3Å; R620-R622 PolarHBondContact O-N 3.34Å; R620-M623 WeakPolarHBondContact O-CB 3.33Å; R620-M623 PolarHBondContact O-N 2.81Å; R620-M623 VanDerWaalsContact O-N 3.08Å; R620-E624 WeakPolarHBondContact O-CG 3.47Å; R620-E624 PolarHBondContact O-N 3.37Å
621	S	83.8	Confident	73.8	Confident	48 Å²	48	68.2 Å²	68.2	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-40.2	177.4	-59.3	0	0	0	0	112.3	M617 L618 M623 E624 Q625	M617-S621 PolarHBondContact O-N 3.29Å; M617-S621 PolarHBondContact O-OG 2.96Å; L618-S621 PolarHBondContact O-N 3.06Å; S621-M623 VanDerWaalsContact C-N 3.32Å; S621-M623 PolarHBondContact O-N 3.1Å; S621-E624 PolarHBondContact O-N 3.25Å; S621-Q625 VanDerWaalsContact O-CG 3.28Å; S621-Q625 WeakPolarHBondContact O-CG 3.42Å; S621-Q625 PolarHBondContact O-N 2.94Å; S621-Q625 VanDerWaalsContact O-N 3.09Å
622	R	82	Confident	71.1	Confident	30 Å²	30	69.9 Å²	69.9	11%	0.113	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-38.5	176	-170.9	179.8	-79.6	-179.7	-5.3	112.1	D350 H513 Q515 L618 R619 R620 H626	D350-R622 IonicContact OD1-CZ 3.42Å; D350-R622 IonicContact OD1-NH1 3.25Å; D350-R622 PolarHBondContact OD1-NH1 2.83Å; D350-R622 IonicContact OD1-NH2 3.39Å; D350-R622 PolarHBondContact OD1-NH2 3.03Å; D350-R622 IonicContact OD2-CZ 3.85Å; D350-R622 IonicContact OD2-NH1 2.69Å; D350-R622 PolarHBondContact OD2-NH1 3.15Å; D350-R622 IonicContact OD2-NH2 3.07Å; D350-R622 PolarHBondContact OD2-NH2 3Å; H513-R622 WeakPolarHBondContact O-CD 3.46Å; H513-R622 PolarHBondContact O-NH1 3.36Å; Q515-R622 VanDerWaalsContact CD-NE 3.29Å; Q515-R622 VanDerWaalsContact OE1-CZ 3.31Å; L618-R622 PolarHBondContact O-N 2.61Å; R619-R622 PolarHBondContact O-N 2.82Å; R620-R622 VanDerWaalsContact C-N 3.3Å; R620-R622 PolarHBondContact O-N 3.34Å; R622-H626 PolarHBondContact O-N 3.1Å
623	M	75.9	Confident	68.2	Low	38 Å²	38	77.3 Å²	77.3	19%	0.187	40%	0.401	C	S	.	.	H	α-helix	trans	-71.8	-37.5	178.2	-69.6	-54.2	-63.4	0	0	113.4	H511 H513 R619 R620 S621 H626 K627	H511-M623 WeakPolarHBondContact CD2-CE 3.37Å; H511-M623 PolarHBondContact CD2-SD 2.96Å; H511-M623 WeakPolarHBondContact NE2-CE 3.46Å; H513-M623 HydrophobicContact CB-SD 4.48Å; R619-M623 WeakPolarHBondContact O-CG 3.37Å; R619-M623 PolarHBondContact O-N 3.37Å; R619-M623 VanDerWaalsContact O-N 3.08Å; R620-M623 WeakPolarHBondContact O-CB 3.33Å; R620-M623 PolarHBondContact O-N 2.81Å; R620-M623 VanDerWaalsContact O-N 3.08Å; S621-M623 VanDerWaalsContact C-N 3.32Å; S621-M623 PolarHBondContact O-N 3.1Å; M623-H626 PolarHBondContact O-N 3.5Å; M623-K627 WeakPolarHBondContact O-CG 3.44Å; M623-K627 PolarHBondContact O-N 2.7Å
624	E	73.7	Confident	65.7	Low	124 Å²	124	84.5 Å²	84.5	58%	0.579	45%	0.452	S	S	*	.	H	α-helix	trans	-66.4	-42	176.9	-73.1	169.5	179.8	0	0	111.8	R620 S621 H626 K627 S628	R620-E624 WeakPolarHBondContact O-CG 3.47Å; R620-E624 PolarHBondContact O-N 3.37Å; S621-E624 PolarHBondContact O-N 3.25Å; E624-H626 VanDerWaalsContact C-N 3.28Å; E624-H626 PolarHBondContact O-N 3.39Å; E624-K627 PolarHBondContact O-N 3.13Å; E624-S628 PolarHBondContact O-N 3.29Å; E624-S628 PolarHBondContact O-OG 3.48Å
625	Q	67.3	Low	64.5	Low	117 Å²	117	83.8 Å²	83.8	55%	0.547	45%	0.452	S	S	.	.	H	α-helix	trans	-59.7	-37.3	174.7	-72.7	172.6	4.3	0	0	112.4	S621 S628 V629	S621-Q625 VanDerWaalsContact O-CG 3.28Å; S621-Q625 WeakPolarHBondContact O-CG 3.42Å; S621-Q625 PolarHBondContact O-N 2.94Å; S621-Q625 VanDerWaalsContact O-N 3.09Å; Q625-S628 PolarHBondContact O-OG 3.42Å; Q625-V629 VanDerWaalsContact O-CG2 3.24Å; Q625-V629 WeakPolarHBondContact O-CG2 3.31Å; Q625-V629 PolarHBondContact O-N 3.44Å
626	H	60.1	Low	63.2	Low	60 Å²	60	87.7 Å²	87.7	28%	0.278	47%	0.473	S	S	.	.	H	α-helix	trans	-76.9	-34.8	178.4	-168	-79.7	0	0	0	112.6	H513 R622 M623 E624 S628 V629 N630	H513-H626 AromaticContact CD2-CD2 3.95Å; H513-H626 AromaticContact CE1-CD2 3.61Å; H513-H626 AromaticContact CE1-NE2 3.45Å; H513-H626 PolarHBondContact CE1-NE2 2.94Å; H513-H626 AromaticContact ND1-CD2 3.93Å; H513-H626 AromaticContact ND1-NE2 3.95Å; H513-H626 AromaticContact NE2-CD2 3.62Å; H513-H626 AromaticContact NE2-NE2 3.84Å; R622-H626 PolarHBondContact O-N 3.1Å; M623-H626 PolarHBondContact O-N 3.5Å; E624-H626 VanDerWaalsContact C-N 3.28Å; E624-H626 PolarHBondContact O-N 3.39Å; H626-S628 VanDerWaalsContact C-N 3.3Å; H626-S628 PolarHBondContact O-N 2.92Å; H626-V629 PolarHBondContact O-N 3.46Å; H626-N630 PolarHBondContact CE1-ND2 2.94Å; H626-N630 PolarHBondContact O-N 3.25Å
627	K	59.1	Low	62	Low	156 Å²	156	92.4 Å²	92.4	68%	0.678	50%	0.498	S	S	*	.	H	α-helix	trans	-63.6	-35.8	173.3	-75.9	-176.9	-178.4	179.1	0	112.1	M623 E624 G631	M623-K627 WeakPolarHBondContact O-CG 3.44Å; M623-K627 PolarHBondContact O-N 2.7Å; E624-K627 PolarHBondContact O-N 3.13Å; K627-G631 PolarHBondContact O-N 3.06Å; K627-G631 VanDerWaalsContact O-N 3.15Å
628	S	49.7	Very low	60.6	Low	72 Å²	72	91.8 Å²	91.8	50%	0.503	50%	0.498	S	S	.	.	H	α-helix	trans	-74.7	-30	177.5	62.1	0	0	0	0	113.2	E624 Q625 H626	E624-S628 PolarHBondContact O-N 3.29Å; E624-S628 PolarHBondContact O-OG 3.48Å; Q625-S628 PolarHBondContact O-OG 3.42Å; H626-S628 VanDerWaalsContact C-N 3.3Å; H626-S628 PolarHBondContact O-N 2.92Å
629	V	50.5	Low	59	Low	99 Å²	99	92.8 Å²	92.8	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-71.6	-45.3	174.3	173.1	0	0	0	0	111.5	Q625 H626 G631 N632	Q625-V629 VanDerWaalsContact O-CG2 3.24Å; Q625-V629 WeakPolarHBondContact O-CG2 3.31Å; Q625-V629 PolarHBondContact O-N 3.44Å; H626-V629 PolarHBondContact O-N 3.46Å; V629-G631 VanDerWaalsContact C-N 3.28Å; V629-G631 PolarHBondContact O-N 2.98Å; V629-N632 PolarHBondContact O-N 3.31Å
630	N	47.1	Very low	57.2	Low	96 Å²	96	97.4 Å²	97.4	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-74.2	-15.5	177.8	-75.2	14.9	0	0	0	114	H626 N632	H626-N630 PolarHBondContact CE1-ND2 2.94Å; H626-N630 PolarHBondContact O-N 3.25Å; N630-N632 PolarHBondContact O-N 2.76Å
631	G	34.9	Very low	55.5	Low	60 Å²	60	100 Å²	100	62%	0.619	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-3.8	175.6	0	0	0	0	0	114.5	K627 V629	K627-G631 PolarHBondContact O-N 3.06Å; K627-G631 VanDerWaalsContact O-N 3.15Å; V629-G631 VanDerWaalsContact C-N 3.28Å; V629-G631 PolarHBondContact O-N 2.98Å
632	N	30.9	Very low	53.3	Low	145 Å²	145	104 Å²	104	78%	0.775	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	10.2	-178.2	-87.1	-11.6	0	0	0	113.9	V629 N630	V629-N632 PolarHBondContact O-N 3.31Å; N630-N632 PolarHBondContact O-N 2.76Å
633	E	27.7	Very low	50.9	Low	157 Å²	157	110.2 Å²	110.2	73%	0.734	61%	0.608	S	S	*	*			trans	-88.4	125.5	166	-73.6	-172.2	152.8	0	0	109.6
634	P	33.9	Very low	48.6	Very low	198 Å²	198	116.7 Å²	116.7	100%	1.286	65%	0.647	S	S	*	*			trans	-69.3	0	-177	28.6	-34.9	0	0	0	114.5

Retrieved 634 of 634 residues in 287.4 ms (Link to these results)

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