A0A3Q0KVA4_SCHMA Loading...

Pseudouridylate synthase RPUSD4, mitochondrial AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KVA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 599 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	D	46.8	Very low	53.8	Low	160 Å²	160	113.5 Å²	113.5	86%	0.856	53%	0.531	S	S	*	.				0	-77.8	0	-59.9	13.7	0	0	0	113.5	F3 G4	D1-F3 PolarHBondContact O-N 2.75Å; D1-G4 PolarHBondContact O-N 2.63Å
2	Y	38.7	Very low	54.6	Low	178 Å²	178	113.9 Å²	113.9	70%	0.698	53%	0.533	S	S	*	.	H	α-helix	trans	-57.9	-42.6	-171.7	-156.1	-87.9	0	0	0	114.3	G4	Y2-G4 PolarHBondContact O-N 2.8Å
3	F	40.5	Very low	55.7	Low	170 Å²	170	108 Å²	108	75%	0.746	52%	0.521	S	S	*	.	H	α-helix	trans	-71.6	-25.7	-177.8	-66.8	-73.4	0	0	0	115.2	D1 Y7	D1-F3 PolarHBondContact O-N 2.75Å; F3-Y7 PolarHBondContact O-N 2.86Å
4	G	47.2	Very low	56.9	Low	15 Å²	15	107.6 Å²	107.6	16%	0.155	52%	0.522	C	S	.	.	H	α-helix	trans	-71.1	-39.3	179.4	0	0	0	0	0	111.9	D1 Y2 E6 Y7 D8	D1-G4 PolarHBondContact O-N 2.63Å; Y2-G4 PolarHBondContact O-N 2.8Å; G4-E6 VanDerWaalsContact C-N 3.33Å; G4-E6 PolarHBondContact O-N 2.65Å; G4-Y7 WeakPolarHBondContact O-CB 3.49Å; G4-Y7 PolarHBondContact O-N 2.92Å; G4-Y7 VanDerWaalsContact O-N 3.11Å; G4-D8 PolarHBondContact O-N 3.09Å
5	I	46.5	Very low	57.6	Low	97 Å²	97	107.4 Å²	107.4	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-38.6	177.8	-60	172.1	0	0	0	110.9	Y7 Q9	I5-Y7 VanDerWaalsContact C-N 3.34Å; I5-Q9 HydrophobicContact CG2-CG 4.44Å; I5-Q9 VanDerWaalsContact O-CB 3.3Å; I5-Q9 WeakPolarHBondContact O-CB 3.33Å; I5-Q9 WeakPolarHBondContact O-CG 3.5Å; I5-Q9 PolarHBondContact O-N 3.49Å
6	E	50.9	Low	57.9	Low	83 Å²	83	107.2 Å²	107.2	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-33.4	173.8	-70.4	-169.6	178.3	0	0	113	G4 K10	G4-E6 VanDerWaalsContact C-N 3.33Å; G4-E6 PolarHBondContact O-N 2.65Å; E6-K10 WeakPolarHBondContact O-CB 3.43Å; E6-K10 WeakPolarHBondContact O-CG 3.44Å; E6-K10 PolarHBondContact O-N 2.97Å
7	Y	63.1	Low	58.4	Low	159 Å²	159	106.2 Å²	106.2	62%	0.624	51%	0.51	S	S	*	.	H	α-helix	trans	-70.1	-48.6	175.9	-171.5	-95.6	0	0	0	111.1	F3 G4 I5 Q9 K10 V11	F3-Y7 PolarHBondContact O-N 2.86Å; G4-Y7 WeakPolarHBondContact O-CB 3.49Å; G4-Y7 PolarHBondContact O-N 2.92Å; G4-Y7 VanDerWaalsContact O-N 3.11Å; I5-Y7 VanDerWaalsContact C-N 3.34Å; Y7-Q9 VanDerWaalsContact C-N 3.33Å; Y7-Q9 PolarHBondContact O-N 3.39Å; Y7-K10 WeakPolarHBondContact O-CB 3.41Å; Y7-K10 PolarHBondContact O-N 2.86Å; Y7-K10 VanDerWaalsContact O-N 3.08Å; Y7-V11 HydrophobicContact CD1-CG2 3.99Å; Y7-V11 HydrophobicContact CE1-CG2 3.64Å; Y7-V11 WeakPolarHBondContact O-CG2 3.27Å; Y7-V11 PolarHBondContact O-N 3.49Å
8	D	59.7	Low	58.9	Low	79 Å²	79	105.6 Å²	105.6	42%	0.422	51%	0.506	S	S	.	.	H	α-helix	trans	-59.8	-42.1	175.9	-75.4	-13.2	0	0	0	111.8	G4 K10 V11 E12	G4-D8 PolarHBondContact O-N 3.09Å; D8-K10 VanDerWaalsContact C-N 3.34Å; D8-K10 PolarHBondContact O-N 2.92Å; D8-V11 PolarHBondContact O-N 3.09Å; D8-E12 WeakPolarHBondContact O-CB 3.34Å; D8-E12 PolarHBondContact O-N 3.17Å
9	Q	61.3	Low	58.9	Low	129 Å²	129	105.1 Å²	105.1	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-64.6	-35.2	174.6	-75	176.9	10.1	0	0	112.7	I5 Y7 G13	I5-Q9 HydrophobicContact CG2-CG 4.44Å; I5-Q9 VanDerWaalsContact O-CB 3.3Å; I5-Q9 WeakPolarHBondContact O-CB 3.33Å; I5-Q9 WeakPolarHBondContact O-CG 3.5Å; I5-Q9 PolarHBondContact O-N 3.49Å; Y7-Q9 VanDerWaalsContact C-N 3.33Å; Y7-Q9 PolarHBondContact O-N 3.39Å; Q9-G13 PolarHBondContact O-N 3.34Å
10	K	66.9	Low	59	Low	132 Å²	132	104.8 Å²	104.8	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-68.1	-41.8	171.8	-81.5	170.6	179.7	162.5	0	111.9	E6 Y7 D8 G13 I14	E6-K10 WeakPolarHBondContact O-CB 3.43Å; E6-K10 WeakPolarHBondContact O-CG 3.44Å; E6-K10 PolarHBondContact O-N 2.97Å; Y7-K10 WeakPolarHBondContact O-CB 3.41Å; Y7-K10 PolarHBondContact O-N 2.86Å; Y7-K10 VanDerWaalsContact O-N 3.08Å; D8-K10 VanDerWaalsContact C-N 3.34Å; D8-K10 PolarHBondContact O-N 2.92Å; K10-G13 PolarHBondContact O-N 2.93Å; K10-I14 WeakPolarHBondContact O-CB 3.43Å; K10-I14 WeakPolarHBondContact O-CD1 3.37Å; K10-I14 VanDerWaalsContact O-CG1 3.22Å; K10-I14 WeakPolarHBondContact O-CG1 3.11Å; K10-I14 PolarHBondContact O-N 3.47Å
11	V	70.3	Confident	59	Low	46 Å²	46	102.5 Å²	102.5	28%	0.279	50%	0.497	S	S	.	.	H	α-helix	trans	-67.7	-44.6	178.8	172.5	0	0	0	0	111.3	Y7 D8 G13 I14 K15	Y7-V11 HydrophobicContact CD1-CG2 3.99Å; Y7-V11 HydrophobicContact CE1-CG2 3.64Å; Y7-V11 WeakPolarHBondContact O-CG2 3.27Å; Y7-V11 PolarHBondContact O-N 3.49Å; D8-V11 PolarHBondContact O-N 3.09Å; V11-G13 VanDerWaalsContact C-N 3.35Å; V11-I14 PolarHBondContact O-N 3.14Å; V11-K15 WeakPolarHBondContact O-CG 3.39Å; V11-K15 PolarHBondContact O-N 3.46Å
12	E	63	Low	59.4	Low	119 Å²	119	100.1 Å²	100.1	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-60.8	-42.7	170.7	-79.4	-75.4	109.9	0	0	111.3	D8 K15 H16	D8-E12 WeakPolarHBondContact O-CB 3.34Å; D8-E12 PolarHBondContact O-N 3.17Å; E12-K15 PolarHBondContact O-N 3.16Å; E12-K15 IonicContact OE1-NZ 3Å; E12-H16 VanDerWaalsContact O-CB 3.3Å; E12-H16 WeakPolarHBondContact O-CB 3.49Å; E12-H16 PolarHBondContact O-N 2.98Å
13	G	69.5	Low	59.9	Low	37 Å²	37	92.8 Å²	92.8	38%	0.381	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-43	175.8	0	0	0	0	0	113.3	Q9 K10 V11 H16 E17	Q9-G13 PolarHBondContact O-N 3.34Å; K10-G13 PolarHBondContact O-N 2.93Å; V11-G13 VanDerWaalsContact C-N 3.35Å; G13-H16 PolarHBondContact O-N 3.07Å; G13-E17 PolarHBondContact O-N 3.33Å
14	I	72	Confident	60.3	Low	102 Å²	102	90.1 Å²	90.1	52%	0.523	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-46.5	174.7	-70.2	161.9	0	0	0	110.3	K10 V11 H16 E17 E18	K10-I14 WeakPolarHBondContact O-CB 3.43Å; K10-I14 WeakPolarHBondContact O-CD1 3.37Å; K10-I14 VanDerWaalsContact O-CG1 3.22Å; K10-I14 WeakPolarHBondContact O-CG1 3.11Å; K10-I14 PolarHBondContact O-N 3.47Å; V11-I14 PolarHBondContact O-N 3.14Å; I14-H16 VanDerWaalsContact C-N 3.28Å; I14-H16 PolarHBondContact O-N 3.33Å; I14-E17 PolarHBondContact O-N 3.1Å; I14-E18 WeakPolarHBondContact O-CB 3.3Å; I14-E18 WeakPolarHBondContact O-CG 3.41Å; I14-E18 PolarHBondContact O-N 2.95Å
15	K	68.6	Low	60.3	Low	105 Å²	105	95.6 Å²	95.6	46%	0.457	47%	0.473	S	S	.	.	H	α-helix	trans	-59.4	-39	174.2	-73.1	174.7	-173.9	170	0	112.2	V11 E12 N19	V11-K15 WeakPolarHBondContact O-CG 3.39Å; V11-K15 PolarHBondContact O-N 3.46Å; E12-K15 PolarHBondContact O-N 3.16Å; E12-K15 IonicContact OE1-NZ 3Å; K15-N19 VanDerWaalsContact O-CB 3.26Å; K15-N19 WeakPolarHBondContact O-CB 3.18Å; K15-N19 PolarHBondContact O-N 3.09Å; K15-N19 PolarHBondContact O-ND2 3.16Å
16	H	61.5	Low	59.9	Low	104 Å²	104	92.9 Å²	92.9	48%	0.481	46%	0.463	S	S	.	.	H	α-helix	trans	-71.1	-37.3	-179.5	-159.3	-54.9	0	0	0	111.8	E12 G13 I14 K20	E12-H16 VanDerWaalsContact O-CB 3.3Å; E12-H16 WeakPolarHBondContact O-CB 3.49Å; E12-H16 PolarHBondContact O-N 2.98Å; G13-H16 PolarHBondContact O-N 3.07Å; I14-H16 VanDerWaalsContact C-N 3.28Å; I14-H16 PolarHBondContact O-N 3.33Å; H16-K20 VanDerWaalsContact O-CB 3.24Å; H16-K20 WeakPolarHBondContact O-CB 3.43Å; H16-K20 PolarHBondContact O-N 2.73Å
17	E	66	Low	59.3	Low	91 Å²	91	92.8 Å²	92.8	43%	0.425	47%	0.468	S	S	.	.	H	α-helix	trans	-74.4	-36.5	173.9	-159.3	64.7	-154.7	0	0	111.3	G13 I14 K20 C21	G13-E17 PolarHBondContact O-N 3.33Å; I14-E17 PolarHBondContact O-N 3.1Å; E17-K20 VanDerWaalsContact CD-NZ 3.27Å; E17-K20 PolarHBondContact O-N 3.04Å; E17-K20 IonicContact OE1-NZ 3.42Å; E17-K20 PolarHBondContact OE1-NZ 3.16Å; E17-K20 IonicContact OE2-NZ 2.7Å; E17-K20 PolarHBondContact OE2-NZ 2.85Å; E17-C21 WeakPolarHBondContact O-CB 3.36Å; E17-C21 PolarHBondContact O-N 2.97Å; E17-C21 PolarHBondContact O-SG 3.3Å
18	E	67.4	Low	58.1	Low	95 Å²	95	89.2 Å²	89.2	44%	0.444	47%	0.466	S	S	.	.	H	α-helix	trans	-60	-44.5	168.7	-84.9	-168.6	-156.2	0	0	112.2	I14 K20 C21 K22	I14-E18 WeakPolarHBondContact O-CB 3.3Å; I14-E18 WeakPolarHBondContact O-CG 3.41Å; I14-E18 PolarHBondContact O-N 2.95Å; E18-K20 VanDerWaalsContact C-N 3.32Å; E18-C21 PolarHBondContact O-N 3.24Å; E18-K22 WeakPolarHBondContact O-CB 3.31Å; E18-K22 VanDerWaalsContact O-CG 3.25Å; E18-K22 WeakPolarHBondContact O-CG 3.46Å; E18-K22 PolarHBondContact O-N 2.91Å; E18-K22 IonicContact OE2-NZ 2.68Å; E18-K22 PolarHBondContact OE2-NZ 2.85Å
19	N	58.9	Low	57.2	Low	96 Å²	96	93.5 Å²	93.5	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-67.9	-34.6	177.5	-74.8	-10.3	0	0	0	111.2	K15 K22 A23	K15-N19 VanDerWaalsContact O-CB 3.26Å; K15-N19 WeakPolarHBondContact O-CB 3.18Å; K15-N19 PolarHBondContact O-N 3.09Å; K15-N19 PolarHBondContact O-ND2 3.16Å; N19-K22 PolarHBondContact O-N 3.27Å; N19-A23 VanDerWaalsContact O-CB 3.23Å; N19-A23 WeakPolarHBondContact O-CB 3.33Å; N19-A23 PolarHBondContact O-N 3.18Å
20	K	61.2	Low	56.2	Low	98 Å²	98	91.5 Å²	91.5	43%	0.426	47%	0.474	S	S	.	.	H	α-helix	trans	-67.8	-39.6	171.9	-179.7	176.3	159.8	-138.6	0	112	H16 E17 E18 A23 L24	H16-K20 VanDerWaalsContact O-CB 3.24Å; H16-K20 WeakPolarHBondContact O-CB 3.43Å; H16-K20 PolarHBondContact O-N 2.73Å; E17-K20 VanDerWaalsContact CD-NZ 3.27Å; E17-K20 PolarHBondContact O-N 3.04Å; E17-K20 IonicContact OE1-NZ 3.42Å; E17-K20 PolarHBondContact OE1-NZ 3.16Å; E17-K20 IonicContact OE2-NZ 2.7Å; E17-K20 PolarHBondContact OE2-NZ 2.85Å; E18-K20 VanDerWaalsContact C-N 3.32Å; K20-A23 PolarHBondContact O-N 2.82Å; K20-L24 HydrophobicContact CG-CD1 4.37Å; K20-L24 WeakPolarHBondContact O-CB 3.45Å; K20-L24 VanDerWaalsContact O-CG 3.25Å; K20-L24 WeakPolarHBondContact O-CG 3.38Å; K20-L24 PolarHBondContact O-N 2.9Å
21	C	58.4	Low	55.1	Low	57 Å²	57	88.9 Å²	88.9	39%	0.385	47%	0.466	S	S	.	.	H	α-helix	trans	-66.1	-41.9	171.4	-73.7	0	0	0	0	112	E17 E18 A23 L24 L25	E17-C21 WeakPolarHBondContact O-CB 3.36Å; E17-C21 PolarHBondContact O-N 2.97Å; E17-C21 PolarHBondContact O-SG 3.3Å; E18-C21 PolarHBondContact O-N 3.24Å; C21-A23 VanDerWaalsContact C-N 3.35Å; C21-L24 PolarHBondContact O-N 2.81Å; C21-L25 VanDerWaalsContact O-CB 3.29Å; C21-L25 WeakPolarHBondContact O-CB 3.14Å; C21-L25 WeakPolarHBondContact O-CD1 3.26Å; C21-L25 VanDerWaalsContact O-CG 3.26Å; C21-L25 WeakPolarHBondContact O-CG 3.42Å; C21-L25 PolarHBondContact O-N 3.12Å
22	K	56.8	Low	53.7	Low	111 Å²	111	87.7 Å²	87.7	48%	0.483	46%	0.458	S	S	.	.	H	α-helix	trans	-64.1	-39.4	172.8	-72.7	163.9	-167.1	155.4	0	111.3	E18 N19 L25 S26	E18-K22 WeakPolarHBondContact O-CB 3.31Å; E18-K22 VanDerWaalsContact O-CG 3.25Å; E18-K22 WeakPolarHBondContact O-CG 3.46Å; E18-K22 PolarHBondContact O-N 2.91Å; E18-K22 IonicContact OE2-NZ 2.68Å; E18-K22 PolarHBondContact OE2-NZ 2.85Å; N19-K22 PolarHBondContact O-N 3.27Å; K22-L25 CarbonylContact O-C 3.57Å; K22-L25 PolarHBondContact O-N 3.19Å; K22-S26 VanDerWaalsContact O-CB 3.3Å; K22-S26 WeakPolarHBondContact O-CB 3.2Å; K22-S26 PolarHBondContact O-N 2.9Å; K22-S26 PolarHBondContact O-OG 3.11Å
23	A	49.1	Very low	52.7	Low	24 Å²	24	84.7 Å²	84.7	20%	0.198	45%	0.445	C	S	.	.	H	α-helix	trans	-61.1	-53.3	173.2	0	0	0	0	0	110	N19 K20 C21 L25 S26 V27	N19-A23 VanDerWaalsContact O-CB 3.23Å; N19-A23 WeakPolarHBondContact O-CB 3.33Å; N19-A23 PolarHBondContact O-N 3.18Å; K20-A23 PolarHBondContact O-N 2.82Å; C21-A23 VanDerWaalsContact C-N 3.35Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 2.71Å; A23-S26 WeakPolarHBondContact CA-OG 3.25Å; A23-S26 CarbonylContact O-C 3.42Å; A23-S26 WeakPolarHBondContact O-CA 3.3Å; A23-S26 WeakPolarHBondContact O-CB 3.28Å; A23-S26 PolarHBondContact O-N 3.43Å; A23-S26 PolarHBondContact O-OG 2.96Å; A23-V27 WeakPolarHBondContact O-CG2 3.41Å; A23-V27 PolarHBondContact O-N 3.17Å
24	L	49.1	Very low	51.3	Low	113 Å²	113	87 Å²	87	59%	0.592	45%	0.446	S	S	*	.	H	α-helix	trans	-57.9	-39.2	176	-71.5	166.2	0	0	0	113.1	K20 C21 S26 V27	K20-L24 HydrophobicContact CG-CD1 4.37Å; K20-L24 WeakPolarHBondContact O-CB 3.45Å; K20-L24 VanDerWaalsContact O-CG 3.25Å; K20-L24 WeakPolarHBondContact O-CG 3.38Å; K20-L24 PolarHBondContact O-N 2.9Å; C21-L24 PolarHBondContact O-N 2.81Å; L24-S26 VanDerWaalsContact C-N 3.27Å; L24-S26 PolarHBondContact O-N 2.96Å; L24-V27 PolarHBondContact O-N 2.65Å
25	L	45.5	Very low	49.8	Very low	130 Å²	130	83.7 Å²	83.7	68%	0.681	43%	0.428	S	S	*	.	H	α-helix	trans	-73.9	-15.2	173.8	-73.4	164	0	0	0	113.7	C21 K22 A23 S28	C21-L25 VanDerWaalsContact O-CB 3.29Å; C21-L25 WeakPolarHBondContact O-CB 3.14Å; C21-L25 WeakPolarHBondContact O-CD1 3.26Å; C21-L25 VanDerWaalsContact O-CG 3.26Å; C21-L25 WeakPolarHBondContact O-CG 3.42Å; C21-L25 PolarHBondContact O-N 3.12Å; K22-L25 CarbonylContact O-C 3.57Å; K22-L25 PolarHBondContact O-N 3.19Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 2.71Å; L25-S28 PolarHBondContact O-OG 2.65Å
26	S	39.4	Very low	48.3	Very low	40 Å²	40	82.8 Å²	82.8	28%	0.28	42%	0.423	S	S	.	.	H	α-helix	trans	-94.9	-19.3	170.9	77.7	0	0	0	0	112.9	K22 A23 L24 S28 K29 N30	K22-S26 VanDerWaalsContact O-CB 3.3Å; K22-S26 WeakPolarHBondContact O-CB 3.2Å; K22-S26 PolarHBondContact O-N 2.9Å; K22-S26 PolarHBondContact O-OG 3.11Å; A23-S26 WeakPolarHBondContact CA-OG 3.25Å; A23-S26 CarbonylContact O-C 3.42Å; A23-S26 WeakPolarHBondContact O-CA 3.3Å; A23-S26 WeakPolarHBondContact O-CB 3.28Å; A23-S26 PolarHBondContact O-N 3.43Å; A23-S26 PolarHBondContact O-OG 2.96Å; L24-S26 VanDerWaalsContact C-N 3.27Å; L24-S26 PolarHBondContact O-N 2.96Å; S26-S28 PolarHBondContact O-N 3Å; S26-K29 CarbonylContact O-C 3.49Å; S26-K29 WeakPolarHBondContact O-CA 3.25Å; S26-K29 PolarHBondContact O-N 2.89Å; S26-N30 WeakPolarHBondContact O-CB 3.34Å; S26-N30 PolarHBondContact O-N 2.6Å; S26-N30 PolarHBondContact O-ND2 2.99Å; S26-N30 PolarHBondContact OG-ND2 2.73Å; S26-N30 VanDerWaalsContact OG-ND2 3.13Å
27	V	38.2	Very low	47.3	Very low	82 Å²	82	80.4 Å²	80.4	50%	0.497	41%	0.411	S	S	.	.	H	α-helix	trans	-57.7	-41.5	174.6	168.4	0	0	0	0	109.6	A23 L24 K29 N30	A23-V27 WeakPolarHBondContact O-CG2 3.41Å; A23-V27 PolarHBondContact O-N 3.17Å; L24-V27 PolarHBondContact O-N 2.65Å; V27-K29 PolarHBondContact O-N 3.14Å; V27-N30 PolarHBondContact O-N 3.47Å
28	S	37.8	Very low	45.8	Very low	84 Å²	84	77.6 Å²	77.6	59%	0.587	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	10.5	173	56.1	0	0	0	0	115.6	L25 S26	L25-S28 PolarHBondContact O-OG 2.65Å; S26-S28 PolarHBondContact O-N 3Å
29	K	40.5	Very low	44.3	Very low	169 Å²	169	78 Å²	78	74%	0.735	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	-1.1	171.6	-68.6	-173.8	177.5	176.3	0	113.8	S26 V27 I31	S26-K29 CarbonylContact O-C 3.49Å; S26-K29 WeakPolarHBondContact O-CA 3.25Å; S26-K29 PolarHBondContact O-N 2.89Å; V27-K29 PolarHBondContact O-N 3.14Å; K29-I31 PolarHBondContact O-N 2.94Å
30	N	39.6	Very low	43.2	Very low	86 Å²	86	79.4 Å²	79.4	46%	0.46	42%	0.423	S	S	.	.			trans	-102.7	75.3	-172.7	-80.3	-25.3	0	0	0	111.4	S26 V27 I32 D33	S26-N30 WeakPolarHBondContact O-CB 3.34Å; S26-N30 PolarHBondContact O-N 2.6Å; S26-N30 PolarHBondContact O-ND2 2.99Å; S26-N30 PolarHBondContact OG-ND2 2.73Å; S26-N30 VanDerWaalsContact OG-ND2 3.13Å; V27-N30 PolarHBondContact O-N 3.47Å; N30-I32 PolarHBondContact O-N 2.8Å; N30-D33 PolarHBondContact O-N 3.37Å
31	I	44.2	Very low	41.8	Very low	77 Å²	77	81.6 Å²	81.6	40%	0.395	44%	0.439	S	S	.	.	H	α-helix	trans	-33.8	-33.6	178.7	-74.9	162.9	0	0	0	115.8	K29 D33 Q35 F79	K29-I31 PolarHBondContact O-N 2.94Å; I31-D33 VanDerWaalsContact C-N 3.35Å; I31-D33 PolarHBondContact O-N 3.13Å; I31-Q35 HydrophobicContact CG2-CG 3.97Å; I31-Q35 VanDerWaalsContact O-CB 3.24Å; I31-Q35 WeakPolarHBondContact O-CB 3.21Å; I31-Q35 WeakPolarHBondContact O-CG 3.44Å; I31-Q35 PolarHBondContact O-N 3.48Å; I31-F79 HydrophobicContact CG2-CD1 4.5Å; I31-F79 HydrophobicContact CG2-CE1 3.84Å
32	I	42.2	Very low	40.7	Very low	22 Å²	22	85.1 Å²	85.1	11%	0.113	45%	0.454	C	S	.	.	H	α-helix	trans	-69.3	-23.9	-170.4	-57.7	174.9	0	0	0	113.7	N30 Y36 T320	N30-I32 PolarHBondContact O-N 2.8Å; I32-Y36 VanDerWaalsContact O-CD2 3.31Å; I32-Y36 WeakPolarHBondContact O-CD2 3.4Å; I32-T320 WeakPolarHBondContact CD1-O 3.4Å
33	D	40.8	Very low	39.5	Very low	56 Å²	56	88 Å²	88	30%	0.299	48%	0.475	S	S	.	.	H	α-helix	trans	-98.5	-31.4	178	-87	19.5	0	0	0	113.2	N30 I31 Q35 Y36 F37 Q281 R323	N30-D33 PolarHBondContact O-N 3.37Å; I31-D33 VanDerWaalsContact C-N 3.35Å; I31-D33 PolarHBondContact O-N 3.13Å; D33-Q35 PolarHBondContact O-N 3.46Å; D33-Y36 PolarHBondContact O-N 3.46Å; D33-F37 PolarHBondContact O-N 2.98Å; D33-Q281 PolarHBondContact OD1-NE2 3.49Å; D33-Q281 PolarHBondContact OD1-OE1 2.74Å; D33-R323 IonicContact OD1-CZ 3Å; D33-R323 IonicContact OD1-NH1 3.24Å; D33-R323 PolarHBondContact OD1-NH1 3.03Å; D33-R323 IonicContact OD2-CZ 3.67Å; D33-R323 IonicContact OD2-NH1 3.45Å; D33-R323 PolarHBondContact OD2-NH1 3.47Å
34	E	40	Very low	38.8	Very low	84 Å²	84	94.6 Å²	94.6	39%	0.393	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-29.1	164.2	-69.4	176.3	158.3	0	0	111.4	Y36 Y78	E34-Y36 PolarHBondContact O-N 2.88Å; E34-Y78 WeakPolarHBondContact O-CB 3.49Å; E34-Y78 WeakPolarHBondContact O-CD1 3.4Å
35	Q	40	Very low	38.1	Very low	33 Å²	33	96.4 Å²	96.4	15%	0.154	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24	172.8	-93	-178.2	-16.8	0	0	115.7	I31 D33 F79	I31-Q35 HydrophobicContact CG2-CG 3.97Å; I31-Q35 VanDerWaalsContact O-CB 3.24Å; I31-Q35 WeakPolarHBondContact O-CB 3.21Å; I31-Q35 WeakPolarHBondContact O-CG 3.44Å; I31-Q35 PolarHBondContact O-N 3.48Å; D33-Q35 PolarHBondContact O-N 3.46Å; Q35-F79 HydrophobicContact CB-CE2 4.29Å; Q35-F79 HydrophobicContact CB-CZ 3.9Å; Q35-F79 HydrophobicContact CG-CD2 4.41Å; Q35-F79 HydrophobicContact CG-CE1 3.54Å; Q35-F79 HydrophobicContact CG-CE2 3.36Å; Q35-F79 HydrophobicContact CG-CZ 2.93Å
36	Y	37.3	Very low	37.3	Very low	87 Å²	87	95.9 Å²	95.9	34%	0.341	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-10.6	-168	-71.4	-84.4	0	0	0	114.3	I32 D33 E34	I32-Y36 VanDerWaalsContact O-CD2 3.31Å; I32-Y36 WeakPolarHBondContact O-CD2 3.4Å; D33-Y36 PolarHBondContact O-N 3.46Å; E34-Y36 PolarHBondContact O-N 2.88Å
37	F	41.6	Very low	36.7	Very low	53 Å²	53	102.9 Å²	102.9	23%	0.232	55%	0.545	C	S	.	.			trans	-141.7	107.3	-178.6	-52.6	-73.7	0	0	0	110.8	D33 K460	D33-F37 PolarHBondContact O-N 2.98Å; F37-K460 HydrophobicContact CE1-CB 3.77Å; F37-K460 HydrophobicContact CE1-CD 3.95Å; F37-K460 HydrophobicContact CE1-CG 4.46Å; F37-K460 HydrophobicContact CZ-CB 3.81Å; F37-K460 HydrophobicContact CZ-CD 4.22Å; F37-K460 HydrophobicContact CZ-CG 4.43Å
38	G	34.5	Very low	36.1	Very low	32 Å²	32	107.3 Å²	107.3	33%	0.33	56%	0.564	S	S	.	*			trans	-61.7	138.3	170.1	0	0	0	0	0	112.3	N40 Y78	G38-N40 VanDerWaalsContact C-N 3.31Å; G38-N40 PolarHBondContact O-N 3.03Å; G38-Y78 VanDerWaalsContact CA-CE1 3.5Å; G38-Y78 WeakPolarHBondContact CA-OH 3.37Å
39	V	34.8	Very low	35.7	Very low	105 Å²	105	111.7 Å²	111.7	64%	0.636	58%	0.575	S	S	*	*			trans	-76.7	86.2	169.8	-176.6	0	0	0	0	107.8	D41	V39-D41 HydrophobicContact CG1-CB 4.48Å; V39-D41 WeakPolarHBondContact CG1-OD2 3.42Å; V39-D41 PolarHBondContact O-N 3.36Å
40	N	35.4	Very low	35	Very low	124 Å²	124	109.5 Å²	109.5	66%	0.663	58%	0.582	S	S	*	*			trans	-87.8	83.2	163.9	-76.8	46.2	0	0	0	108.4	G38 D42	G38-N40 VanDerWaalsContact C-N 3.31Å; G38-N40 PolarHBondContact O-N 3.03Å; N40-D42 PolarHBondContact O-N 3.43Å; N40-D42 VanDerWaalsContact O-N 3.1Å
41	D	31.9	Very low	34.5	Very low	145 Å²	145	109 Å²	109	78%	0.775	60%	0.597	S	S	*	*			trans	-77.6	75.1	163.8	-73.2	-25.2	0	0	0	108.9	V39	V39-D41 HydrophobicContact CG1-CB 4.48Å; V39-D41 WeakPolarHBondContact CG1-OD2 3.42Å; V39-D41 PolarHBondContact O-N 3.36Å
42	D	36.2	Very low	33.5	Very low	130 Å²	130	111.6 Å²	111.6	70%	0.695	62%	0.617	S	S	*	*			trans	-115.6	74	169.3	-70.9	-49.1	0	0	0	109.3	N40 D44	N40-D42 PolarHBondContact O-N 3.43Å; N40-D42 VanDerWaalsContact O-N 3.1Å; D42-D44 PolarHBondContact O-N 3.37Å
43	D	31.2	Very low	32.9	Very low	172 Å²	172	119.1 Å²	119.1	92%	0.92	65%	0.648	S	S	*	*			trans	-74.1	102.6	157.8	-86.1	-36.8	0	0	0	107.8
44	D	35.7	Very low	32.2	Very low	163 Å²	163	123.7 Å²	123.7	87%	0.872	67%	0.673	S	S	*	*			trans	-139.6	122.3	169.8	-122.2	-21.7	0	0	0	112.9	D42	D42-D44 PolarHBondContact O-N 3.37Å
45	D	32.9	Very low	31.5	Very low	150 Å²	150	124.9 Å²	124.9	80%	0.802	69%	0.69	S	S	*	*			trans	-81.9	135.5	-171.4	-102.2	-43.9	0	0	0	113
46	V	28.3	Very low	30.9	Very low	120 Å²	120	128.4 Å²	128.4	73%	0.727	72%	0.719	S	S	*	*			trans	28.5	104.7	142	-170.3	0	0	0	0	118.2
47	K	28.7	Very low	30.4	Very low	187 Å²	187	132.5 Å²	132.5	81%	0.813	74%	0.741	S	S	*	*				-164.2	125.1	125.7	-108.2	153.2	-169.2	169.2	0	114.9	H49	K47-H49 PolarHBondContact O-N 2.94Å
48	L	25.2	Very low	29.6	Very low	174 Å²	174	138 Å²	138	91%	0.911	77%	0.771	S	S	*	*			trans	-69.9	121.7	165.6	-81.7	145.8	0	0	0	110.4
49	H	29.8	Very low	29.2	Very low	176 Å²	176	142 Å²	142	82%	0.815	79%	0.79	S	S	*	*			trans	-130.3	128.8	154.1	-91.4	-64.7	0	0	0	111.4	K47	K47-H49 PolarHBondContact O-N 2.94Å
50	S	25.8	Very low	28.8	Very low	124 Å²	124	142.6 Å²	142.6	87%	0.867	79%	0.793	S	S	*	*			trans	-73.6	129.3	-179.6	51.5	0	0	0	0	112.1
51	G	27.5	Very low	28.4	Very low	76 Å²	76	144.4 Å²	144.4	78%	0.784	80%	0.802	S	S	*	*			trans	-152.7	90.5	175	0	0	0	0	0	112.3
52	T	23.9	Very low	28	Very low	131 Å²	131	145.6 Å²	145.6	80%	0.804	80%	0.802	S	S	*	*			trans	-67.5	133.1	171.1	47.4	0	0	0	0	111.6
53	K	28.7	Very low	27.8	Very low	179 Å²	179	144.7 Å²	144.7	78%	0.778	81%	0.806	S	S	*	*				176.5	130	117.6	-96.3	162.7	-176.2	178.8	0	115
54	N	26.7	Very low	27.5	Very low	152 Å²	152	143.7 Å²	143.7	81%	0.813	80%	0.801	S	S	*	*			trans	66.3	133.6	135.5	-61.4	11.1	0	0	0	122.8
55	S	24.9	Very low	27.2	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	80%	0.801	S	S	*	*			trans	-78.2	169.8	169.7	51.5	0	0	0	0	114.5
56	S	28	Very low	26.8	Very low	108 Å²	108	140.8 Å²	140.8	76%	0.755	80%	0.8	S	S	*	*			trans	100.7	133.2	-176.8	77.3	0	0	0	0	111.6
57	E	27.9	Very low	26.9	Very low	173 Å²	173	143.5 Å²	143.5	81%	0.808	80%	0.804	S	S	*	*			cis	-155.4	152.8	21.9	-135.1	155.9	-161	0	0	109.7
58	I	24.4	Very low	26.8	Very low	168 Å²	168	142 Å²	142	86%	0.862	80%	0.804	S	S	*	*			trans	-101.4	117.6	172.4	-66.8	174.2	0	0	0	108.1
59	T	26.3	Very low	27	Very low	117 Å²	117	141 Å²	141	72%	0.718	80%	0.8	S	S	*	*			trans	-122.4	113.3	175.3	-34.2	0	0	0	0	109.5
60	V	25.2	Very low	26.9	Very low	117 Å²	117	139.9 Å²	139.9	71%	0.709	80%	0.8	S	S	*	*			trans	-79.2	129.5	174.8	176.5	0	0	0	0	108.9
61	L	27	Very low	27.2	Very low	161 Å²	161	141.3 Å²	141.3	84%	0.843	80%	0.797	S	S	*	*			trans	-130.4	117.6	162.9	-76.2	174.7	0	0	0	109
62	Q	24.4	Very low	27.5	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	78%	0.776	S	S	*	*			trans	-76.6	142.8	164.1	-69	169	-93.5	0	0	109.2
63	S	30.7	Very low	27.9	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	78%	0.777	S	S	*	*			trans	-147.2	114.9	156.2	56.6	0	0	0	0	108.6
64	D	25.2	Very low	28.3	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	77%	0.77	S	S	*	*			trans	-70.6	129	175.3	-53.1	-70.4	0	0	0	110.6
65	T	29.3	Very low	28.8	Very low	141 Å²	141	135.2 Å²	135.2	87%	0.865	75%	0.746	S	S	*	*			trans	-145.7	136.8	151.1	31.7	0	0	0	0	111.1
66	S	25.3	Very low	29.2	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	74%	0.736	S	S	*	*			trans	-88	120.9	-175.8	51.7	0	0	0	0	112.5
67	H	29.6	Very low	29.4	Very low	177 Å²	177	136.7 Å²	136.7	82%	0.819	74%	0.738	S	S	*	*			trans	-160.6	136.1	137.9	-122.7	-89.2	0	0	0	109.8
68	L	27.6	Very low	29.7	Very low	155 Å²	155	132.7 Å²	132.7	81%	0.812	72%	0.716	S	S	*	*			trans	-80.8	123	161.6	-78.1	80	0	0	0	106.6
69	D	29.1	Very low	30	Very low	154 Å²	154	129.3 Å²	129.3	82%	0.824	70%	0.695	S	S	*	*			trans	169.2	55.2	144.4	-86.4	-21.1	0	0	0	112.1
70	D	28.1	Very low	30	Very low	151 Å²	151	127.2 Å²	127.2	81%	0.807	70%	0.697	S	S	*	*			trans	-131.4	104.3	175.1	-80.3	-53.6	0	0	0	112
71	L	31.5	Very low	30.3	Very low	155 Å²	155	127.3 Å²	127.3	81%	0.812	70%	0.703	S	S	*	*			trans	-115.9	106.4	176.5	-75	175.6	0	0	0	111.7
72	C	34.5	Very low	30.3	Very low	50 Å²	50	126.9 Å²	126.9	34%	0.338	71%	0.707	S	S	.	*			trans	66.5	66.5	162.1	-62.6	0	0	0	0	118.1	I74 D75 S76 N433	C72-I74 PolarHBondContact O-N 3.36Å; C72-D75 PolarHBondContact O-N 3.44Å; C72-S76 PolarHBondContact O-OG 3.17Å; C72-N433 PolarHBondContact SG-ND2 2.86Å
73	E	32.5	Very low	30.5	Very low	178 Å²	178	122 Å²	122	83%	0.832	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	11.1	166.6	-106.1	-171	150.8	0	0	116.9
74	I	35.7	Very low	30.6	Very low	122 Å²	122	122.1 Å²	122.1	63%	0.626	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	-19.7	176.7	-67.7	176.4	0	0	0	112.3	C72	C72-I74 PolarHBondContact O-N 3.36Å
75	D	37.5	Very low	30.7	Very low	59 Å²	59	122.5 Å²	122.5	32%	0.316	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.1	-5.9	-179.7	-65.8	-48.5	0	0	0	112.5	C72 R351	C72-D75 PolarHBondContact O-N 3.44Å; D75-R351 IonicContact OD2-NH2 3.77Å; D75-R351 PolarHBondContact OD2-NH2 3.47Å
76	S	34	Very low	30.8	Very low	79 Å²	79	122 Å²	122	55%	0.552	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-88	-17.1	-174.9	-54.8	0	0	0	0	115.7	C72 Y78	C72-S76 PolarHBondContact O-OG 3.17Å; S76-Y78 PolarHBondContact O-N 3.12Å
77	Q	32.5	Very low	31	Very low	169 Å²	169	123.9 Å²	123.9	79%	0.79	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-75	-4.4	177.4	-75.2	-174.3	-12.1	0	0	113.8
78	Y	32.8	Very low	31.3	Very low	90 Å²	90	120.8 Å²	120.8	35%	0.353	70%	0.699	S	S	.	*	G	3₁₀ helix	trans	-108.3	-10	-176.8	-64.4	-69.8	0	0	0	113.7	E34 G38 S76	E34-Y78 WeakPolarHBondContact O-CB 3.49Å; E34-Y78 WeakPolarHBondContact O-CD1 3.4Å; G38-Y78 VanDerWaalsContact CA-CE1 3.5Å; G38-Y78 WeakPolarHBondContact CA-OH 3.37Å; S76-Y78 PolarHBondContact O-N 3.12Å
79	F	30.5	Very low	31.3	Very low	96 Å²	96	120.6 Å²	120.6	42%	0.421	70%	0.696	S	S	.	*			trans	-117.8	67.8	178.8	-64.4	-62.8	0	0	0	113.3	I31 Q35	I31-F79 HydrophobicContact CG2-CD1 4.5Å; I31-F79 HydrophobicContact CG2-CE1 3.84Å; Q35-F79 HydrophobicContact CB-CE2 4.29Å; Q35-F79 HydrophobicContact CB-CZ 3.9Å; Q35-F79 HydrophobicContact CG-CD2 4.41Å; Q35-F79 HydrophobicContact CG-CE1 3.54Å; Q35-F79 HydrophobicContact CG-CE2 3.36Å; Q35-F79 HydrophobicContact CG-CZ 2.93Å
80	G	27.9	Very low	31.5	Very low	73 Å²	73	121.1 Å²	121.1	75%	0.753	69%	0.693	S	S	*	*			trans	-97.3	117.4	174	0	0	0	0	0	113.4
81	S	30.2	Very low	31.4	Very low	120 Å²	120	121 Å²	121	84%	0.839	69%	0.693	S	S	*	*			trans	-28.3	120.3	178.3	-57.1	0	0	0	0	118.4	G83	S81-G83 VanDerWaalsContact C-N 3.28Å; S81-G83 PolarHBondContact O-N 3.05Å
82	T	26.7	Very low	31.5	Very low	152 Å²	152	121.6 Å²	121.6	93%	0.933	70%	0.695	S	S	*	*			trans	-76.4	77.4	160.1	45.4	0	0	0	0	111.2
83	G	30.1	Very low	31.2	Very low	67 Å²	67	124 Å²	124	69%	0.691	71%	0.712	S	S	*	*			trans	-69.6	152.4	167.1	0	0	0	0	0	112.5	S81	S81-G83 VanDerWaalsContact C-N 3.28Å; S81-G83 PolarHBondContact O-N 3.05Å
84	S	32.4	Very low	31.1	Very low	114 Å²	114	120.4 Å²	120.4	80%	0.797	71%	0.707	S	S	*	*			trans	-68.9	136.9	-170.9	51	0	0	0	0	115.5	T86	S84-T86 PolarHBondContact O-N 3.16Å
85	N	26.4	Very low	31	Very low	158 Å²	158	121 Å²	121	85%	0.845	72%	0.716	S	S	*	*			trans	-73.1	114	164.1	-92.7	-22.7	0	0	0	112
86	T	32.7	Very low	30.8	Very low	131 Å²	131	123.5 Å²	123.5	80%	0.804	73%	0.733	S	S	*	*			trans	-149.8	117.9	149.7	47.8	0	0	0	0	110.4	S84	S84-T86 PolarHBondContact O-N 3.16Å
87	N	29.8	Very low	31	Very low	151 Å²	151	125.9 Å²	125.9	81%	0.807	74%	0.74	S	S	*	*			trans	-91.2	175.9	172	-78.1	-19.5	0	0	0	110.6
88	P	35.8	Very low	31	Very low	112 Å²	112	124.1 Å²	124.1	73%	0.727	74%	0.736	S	S	*	*			cis	-133.5	-164.7	-32.9	30.9	-9.1	0	0	0	112.3
89	M	27.6	Very low	31.1	Very low	152 Å²	152	125.3 Å²	125.3	75%	0.749	75%	0.752	S	S	*	*			trans	106.3	134.9	154.9	-66.5	-65.1	-104.8	0	0	120.4
90	E	32.2	Very low	31.4	Very low	165 Å²	165	126.7 Å²	126.7	77%	0.771	77%	0.768	S	S	*	*			trans	76.8	126.6	148.1	-74.2	171.7	-171.2	0	0	122.3
91	D	26.9	Very low	31.7	Very low	148 Å²	148	129.9 Å²	129.9	79%	0.791	77%	0.768	S	S	*	*			trans	-51.6	155.2	171.9	-58.5	-69.5	0	0	0	114.6
92	I	33	Very low	32.3	Very low	167 Å²	167	129.1 Å²	129.1	86%	0.856	76%	0.761	S	S	*	*				-175.9	148.8	111.1	-91.7	154.5	0	0	0	110.4
93	S	27.7	Very low	32.6	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	76%	0.758	S	S	*	*			trans	-75.4	162.1	-176.8	54.2	0	0	0	0	114.4
94	S	31.8	Very low	32.6	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	76%	0.759	S	S	*	*				166.9	140.7	112.6	51.1	0	0	0	0	115.7
95	V	33.4	Very low	32.5	Very low	135 Å²	135	134.7 Å²	134.7	82%	0.818	76%	0.761	S	S	*	*			trans	69.1	143.8	137.8	164.4	0	0	0	0	120.8
96	V	33.4	Very low	32.9	Very low	110 Å²	110	132.5 Å²	132.5	67%	0.667	76%	0.758	S	S	*	*			cis	177.3	159.6	-36	126.1	0	0	0	0	109
97	N	36.2	Very low	32.9	Very low	130 Å²	130	134 Å²	134	70%	0.695	76%	0.756	S	S	*	*			trans	114.3	111.9	164.7	-67.5	-50.1	0	0	0	114.9
98	N	33.9	Very low	33.1	Very low	132 Å²	132	134.2 Å²	134.2	71%	0.706	75%	0.752	S	S	*	*				94.2	141.4	64.2	-81.7	-24.8	0	0	0	111.6
99	T	35.5	Very low	32.8	Very low	114 Å²	114	137.2 Å²	137.2	70%	0.699	75%	0.754	S	S	*	*			cis	-167.8	145.6	21.3	-1.4	0	0	0	0	113.5
100	V	35.2	Very low	32.9	Very low	125 Å²	125	134.4 Å²	134.4	76%	0.758	75%	0.754	S	S	*	*				48.9	140.7	126.6	160.4	0	0	0	0	120.7
101	N	33.9	Very low	32.7	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	76%	0.758	S	S	*	*			cis	-156.8	172.2	15.5	-137.4	21	0	0	0	114
102	P	43.2	Very low	32.9	Very low	105 Å²	105	136.8 Å²	136.8	68%	0.682	75%	0.754	S	S	*	*			trans	-116.5	177.6	174	41.9	-30.9	0	0	0	115.3
103	L	33.6	Very low	32.9	Very low	168 Å²	168	132.5 Å²	132.5	88%	0.88	75%	0.752	S	S	*	*			trans	-160.6	-179	162.1	-113.5	158.7	0	0	0	113.7
104	V	30.4	Very low	33	Very low	118 Å²	118	136.7 Å²	136.7	72%	0.715	76%	0.757	S	S	*	*			trans	-157.2	175.7	-146.3	133.7	0	0	0	0	113.8
105	I	29.9	Very low	33.2	Very low	163 Å²	163	141.2 Å²	141.2	84%	0.836	76%	0.764	S	S	*	*			trans	86.4	145	171.7	-75.2	151.4	0	0	0	115.9
106	S	34.6	Very low	33.1	Very low	112 Å²	112	142 Å²	142	78%	0.783	76%	0.758	S	S	*	*			cis	-145.4	-175.4	22.7	64.6	0	0	0	0	116.2
107	Q	32.7	Very low	33	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.762	76%	0.76	S	S	*	*			trans	-109.1	163.6	-172	-51.5	165.8	-7.5	0	0	113.3
108	H	35.1	Very low	33	Very low	156 Å²	156	141.8 Å²	141.8	72%	0.722	76%	0.757	S	S	*	*				178.5	132.3	115.7	-110.4	-104	0	0	0	119.7
109	K	29.2	Very low	32.7	Very low	175 Å²	175	143.6 Å²	143.6	76%	0.761	76%	0.761	S	S	*	*			trans	-1.1	125.3	153.3	-67.6	172.6	178.4	167.6	0	125.2
110	A	29.5	Very low	32.6	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	77%	0.771	S	S	*	*				57.2	133.6	111	0	0	0	0	0	125.2
111	R	28.1	Very low	32.1	Very low	223 Å²	223	144.5 Å²	144.5	84%	0.842	77%	0.768	S	S	*	*				173.8	132.7	108.8	-100.3	-173.1	152.4	-177.9	-6.1	117.1
112	I	30.8	Very low	32	Very low	140 Å²	140	143.8 Å²	143.8	72%	0.718	77%	0.774	S	S	*	*			trans	58.6	129	133.9	-59.6	169.4	0	0	0	122
113	G	33.4	Very low	31.2	Very low	78 Å²	78	144.3 Å²	144.3	80%	0.804	78%	0.775	S	S	*	*			trans	-170.9	111.4	154.1	0	0	0	0	0	113.5
114	K	30.3	Very low	31.1	Very low	189 Å²	189	143.9 Å²	143.9	82%	0.822	77%	0.772	S	S	*	*			trans	-92.5	154.1	-174.2	-65.1	174.5	175	178.4	0	113.9
115	K	34.4	Very low	30.9	Very low	197 Å²	197	143.1 Å²	143.1	86%	0.857	77%	0.768	S	S	*	*				156	156.1	128.4	-87.4	168.6	179.7	-176.6	0	111.9
116	H	30.9	Very low	30.7	Very low	153 Å²	153	141.2 Å²	141.2	71%	0.708	76%	0.764	S	S	*	*			cis	-175.7	134.3	-37.9	-131.6	-20.2	0	0	0	110.9
117	I	32.2	Very low	30.4	Very low	138 Å²	138	141 Å²	141	71%	0.708	76%	0.758	S	S	*	*			trans	67.1	166.2	151.6	7.5	-174.4	0	0	0	119.9
118	P	36	Very low	30.2	Very low	97 Å²	97	139.7 Å²	139.7	63%	0.63	76%	0.757	S	S	*	*				-143.6	-166.6	-94.1	48.9	-30.2	0	0	0	117.9
119	H	28.9	Very low	30	Very low	169 Å²	169	137.7 Å²	137.7	78%	0.782	76%	0.755	S	S	*	*			trans	38	129.1	145.2	-74.4	-71.8	0	0	0	121.3
120	L	31.9	Very low	30.1	Very low	175 Å²	175	137.4 Å²	137.4	92%	0.916	76%	0.756	S	S	*	*				-147.4	158.7	113.1	-138.3	78.3	0	0	0	111
121	A	25.9	Very low	30.3	Very low	84 Å²	84	139 Å²	139	69%	0.694	76%	0.757	S	S	*	*			trans	-124.3	152.3	178.6	0	0	0	0	0	110.4
122	S	32	Very low	30.2	Very low	124 Å²	124	135.3 Å²	135.3	87%	0.867	75%	0.754	S	S	*	*			trans	-157.7	111.5	157.5	33.3	0	0	0	0	113.1
123	T	25.7	Very low	30.4	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	76%	0.76	S	S	*	*			trans	-50.5	159.7	162.4	-48.9	0	0	0	0	114.7
124	I	31	Very low	30.1	Very low	160 Å²	160	138.7 Å²	138.7	82%	0.821	76%	0.757	S	S	*	*			trans	159.7	98.4	140.2	-81.9	154.9	0	0	0	105.8
125	T	26	Very low	30.2	Very low	101 Å²	101	134.8 Å²	134.8	62%	0.62	75%	0.754	S	S	*	*				53.7	113.1	71.1	-25.3	0	0	0	0	111.3
126	T	27.1	Very low	29.9	Very low	124 Å²	124	135.1 Å²	135.1	76%	0.761	76%	0.756	S	S	*	*				177.8	175.1	79.1	46.6	0	0	0	0	108.2
127	T	28.1	Very low	29.9	Very low	106 Å²	106	133.2 Å²	133.2	65%	0.65	76%	0.759	S	S	*	*			cis	-161.5	155.7	-36.1	33.3	0	0	0	0	108.5
128	N	27.9	Very low	29.7	Very low	137 Å²	137	134.5 Å²	134.5	73%	0.733	77%	0.768	S	S	*	*			trans	27.7	138.7	139.7	-48.1	-9.9	0	0	0	120.1
129	T	30.2	Very low	29.6	Very low	113 Å²	113	136.7 Å²	136.7	69%	0.693	77%	0.773	S	S	*	*				-178.1	145.4	75.7	27.3	0	0	0	0	113.9
130	H	32.4	Very low	29.5	Very low	170 Å²	170	136.2 Å²	136.2	79%	0.787	78%	0.776	S	S	*	*			trans	58.4	148.3	146.1	-68.6	-59.3	0	0	0	121.2
131	T	33.7	Very low	29.5	Very low	125 Å²	125	135.7 Å²	135.7	77%	0.767	77%	0.773	S	S	*	*			cis	-151.5	148	8.4	0.6	0	0	0	0	111.6
132	D	26.4	Very low	29.4	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	78%	0.777	S	S	*	*			trans	-73.7	147.2	161.5	-63	-72.9	0	0	0	112.7
133	I	33.5	Very low	29.5	Very low	166 Å²	166	145.9 Å²	145.9	85%	0.851	78%	0.781	S	S	*	*			trans	-139.8	137.6	144.6	-64.6	-171.5	0	0	0	109.2
134	T	27.9	Very low	29.6	Very low	122 Å²	122	147.9 Å²	147.9	75%	0.748	78%	0.782	S	S	*	*			trans	-113.4	149.7	-177	54.1	0	0	0	0	112.6
135	S	31.9	Very low	29.4	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	78%	0.778	S	S	*	*			trans	175.7	113.3	149	30.5	0	0	0	0	109.9
136	K	27.9	Very low	29.5	Very low	204 Å²	204	149.1 Å²	149.1	89%	0.887	79%	0.793	S	S	*	*				62.6	107.8	83.7	-73.3	-174.5	178.4	177.2	0	115.3
137	S	32.3	Very low	29.4	Very low	112 Å²	112	150.5 Å²	150.5	78%	0.783	80%	0.795	S	S	*	*				-178.5	129.1	105.9	41.1	0	0	0	0	113.4
138	N	27.3	Very low	29.4	Very low	165 Å²	165	151.8 Å²	151.8	88%	0.882	80%	0.803	S	S	*	*			trans	-89.5	136.5	160.5	-77.5	-41.6	0	0	0	108.3
139	I	33.3	Very low	29.4	Very low	143 Å²	143	153.3 Å²	153.3	73%	0.733	81%	0.805	S	S	*	*			trans	-133.6	108.3	162.8	-62.4	-176.5	0	0	0	109.8	L141	I139-L141 HydrophobicContact CG2-CD1 4.23Å; I139-L141 HydrophobicContact CG2-CG 4.12Å
140	N	26.6	Very low	29.2	Very low	159 Å²	159	151.5 Å²	151.5	85%	0.85	81%	0.809	S	S	*	*			trans	-75.3	133.4	160.3	-82	-52.1	0	0	0	109.2
141	L	31.6	Very low	28.9	Very low	164 Å²	164	150.6 Å²	150.6	86%	0.859	82%	0.816	S	S	*	*			trans	-125.6	98.5	166.2	-93.6	166.1	0	0	0	111.5	I139	I139-L141 HydrophobicContact CG2-CD1 4.23Å; I139-L141 HydrophobicContact CG2-CG 4.12Å
142	R	25.8	Very low	28.4	Very low	207 Å²	207	154 Å²	154	78%	0.781	82%	0.82	S	S	*	*			trans	-78	130.8	174.1	-174.2	-176	-169.8	-178	5.6	109.3	Q144	R142-Q144 HydrophobicContact CG-CG 4.37Å
143	K	33.1	Very low	28.3	Very low	216 Å²	216	153.6 Å²	153.6	94%	0.939	82%	0.823	S	S	*	*			trans	-114.4	131.8	159.8	-96.3	-175.2	173.7	179.9	0	109.7
144	Q	26.9	Very low	27.9	Very low	157 Å²	157	151.5 Å²	151.5	73%	0.734	82%	0.817	S	S	*	*			trans	-107.4	162.3	-176.3	-65.2	-177	-3.8	0	0	111.9	R142	R142-Q144 HydrophobicContact CG-CG 4.37Å
145	G	27.9	Very low	27.6	Very low	73 Å²	73	156.7 Å²	156.7	75%	0.753	82%	0.823	S	S	*	*			trans	100.7	134.5	160.4	0	0	0	0	0	113.8
146	K	28	Very low	27.4	Very low	215 Å²	215	156.7 Å²	156.7	94%	0.935	82%	0.818	S	S	*	*			cis	-146.4	155.7	13	-100.7	176.4	171.8	178	0	112.1
147	L	24.4	Very low	27.2	Very low	152 Å²	152	153.8 Å²	153.8	80%	0.796	81%	0.812	S	S	*	*			trans	-62.6	143.8	164	-97.4	70.9	0	0	0	111.8
148	V	29.6	Very low	27.2	Very low	134 Å²	134	156.3 Å²	156.3	81%	0.812	81%	0.812	S	S	*	*			trans	-143.2	116.9	132.9	-177.9	0	0	0	0	110.4
149	H	27.3	Very low	27.1	Very low	168 Å²	168	156.3 Å²	156.3	78%	0.778	81%	0.812	S	S	*	*			trans	13.7	127.6	148.8	-59.9	80.4	0	0	0	121.3
150	G	24.8	Very low	27	Very low	75 Å²	75	156.1 Å²	156.1	77%	0.773	82%	0.817	S	S	*	*			trans	-84.9	-170.8	178	0	0	0	0	0	117.2
151	T	26.7	Very low	27.1	Very low	152 Å²	152	160 Å²	160	93%	0.933	82%	0.819	S	S	*	*			trans	-144.1	148.5	171.1	22.6	0	0	0	0	110
152	K	22.9	Very low	26.7	Very low	197 Å²	197	162.5 Å²	162.5	86%	0.857	82%	0.818	S	S	*	*			trans	-100.6	136.7	178.5	-67	172.1	174.3	175.5	0	110.3
153	T	25.3	Very low	27	Very low	136 Å²	136	160.6 Å²	160.6	83%	0.834	82%	0.823	S	S	*	*			trans	-150.9	99	155.2	43.1	0	0	0	0	107.1
154	V	24.6	Very low	26.8	Very low	122 Å²	122	156.6 Å²	156.6	74%	0.739	81%	0.811	S	S	*	*				70	112.2	81.9	176.4	0	0	0	0	112	V156	V154-V156 HydrophobicContact CG1-CG2 4.37Å
155	R	21.8	Very low	27	Very low	232 Å²	232	157 Å²	157	88%	0.875	82%	0.819	S	S	*	*			trans	-69.9	141	166.9	-75.7	180	165.8	112.2	-4	109.5
156	V	27.7	Very low	27.1	Very low	108 Å²	108	157.9 Å²	157.9	66%	0.655	81%	0.813	S	S	*	*			trans	-132.8	111.3	160.6	-179.6	0	0	0	0	107.8	V154	V154-V156 HydrophobicContact CG1-CG2 4.37Å
157	D	23.1	Very low	27.2	Very low	142 Å²	142	154 Å²	154	76%	0.759	80%	0.803	S	S	*	*			trans	-79.1	121.8	168.8	-63.4	-55.1	0	0	0	108.9
158	H	32.3	Very low	27.4	Very low	166 Å²	166	151.6 Å²	151.6	77%	0.769	80%	0.799	S	S	*	*			trans	-125.5	92.6	167.3	-88.7	4.1	0	0	0	111.6	V160	H158-V160 PolarHBondContact O-N 2.87Å
159	N	25.6	Very low	27.5	Very low	165 Å²	165	153.5 Å²	153.5	88%	0.882	80%	0.804	S	S	*	*			trans	-57.7	114.9	153.1	-72.3	-51.3	0	0	0	109.1
160	V	31.2	Very low	27.5	Very low	138 Å²	138	153.7 Å²	153.7	84%	0.836	80%	0.802	S	S	*	*			trans	-124.3	130.6	154.9	-177.3	0	0	0	0	109	H158	H158-V160 PolarHBondContact O-N 2.87Å
161	R	27.8	Very low	27.6	Very low	240 Å²	240	158.3 Å²	158.3	91%	0.906	80%	0.801	S	S	*	*			trans	-91.9	148.1	-164.5	-167	176.1	-176.2	176.6	-0.2	109.6
162	R	24.7	Very low	27.8	Very low	218 Å²	218	157 Å²	157	82%	0.823	79%	0.788	S	S	*	*			trans	-45.5	145.4	168.7	-66.3	172.7	173	154.4	-4.3	111.4
163	N	30.8	Very low	28.3	Very low	167 Å²	167	155.2 Å²	155.2	89%	0.893	78%	0.783	S	S	*	*			trans	-142.2	135.4	132.2	-104	-10.8	0	0	0	110.2
164	N	28.5	Very low	28.7	Very low	131 Å²	131	154.6 Å²	154.6	70%	0.701	78%	0.775	S	S	*	*			trans	-80.8	158	171.9	-50.1	-33.4	0	0	0	108.6
165	N	32.8	Very low	29.2	Very low	167 Å²	167	155.3 Å²	155.3	89%	0.893	78%	0.775	S	S	*	*				-167.1	163.7	122.6	-93.8	-8.7	0	0	0	110.2
166	S	28.8	Very low	30	Very low	90 Å²	90	150.8 Å²	150.8	63%	0.629	77%	0.768	S	S	*	*			trans	-117.1	-177.4	-152.3	48.9	0	0	0	0	113.6
167	D	31.1	Very low	30.6	Very low	133 Å²	133	153.2 Å²	153.2	71%	0.711	78%	0.777	S	S	*	*			trans	80.2	105.8	150.7	-53.7	-40.4	0	0	0	119.7
168	S	27.5	Very low	31.3	Very low	102 Å²	102	149.6 Å²	149.6	71%	0.713	77%	0.774	S	S	*	*				31.2	134.1	128.8	66.4	0	0	0	0	120.6
169	L	31.6	Very low	31.5	Very low	175 Å²	175	150.4 Å²	150.4	92%	0.916	78%	0.777	S	S	*	*				-163.3	175.8	118.5	-105.5	160.9	0	0	0	111.9
170	K	27.2	Very low	32.1	Very low	172 Å²	172	150 Å²	150	75%	0.748	77%	0.769	S	S	*	*			trans	-121	158.3	-163.1	-73.6	170.7	167	171.4	0	113.4
171	F	27.1	Very low	32.4	Very low	172 Å²	172	152.5 Å²	152.5	75%	0.754	77%	0.772	S	S	*	*			trans	79.2	140.6	142.2	-82.5	-53.7	0	0	0	121.7
172	N	31.2	Very low	32.7	Very low	123 Å²	123	148 Å²	148	66%	0.658	77%	0.765	S	S	*	*			trans	71.4	114.8	153.9	-64.4	13.8	0	0	0	116.5
173	E	33.4	Very low	33.4	Very low	160 Å²	160	145.8 Å²	145.8	75%	0.748	77%	0.77	S	S	*	*				86.1	124.9	66.4	-91.7	-173.5	-179.2	0	0	112.5
174	N	33.3	Very low	33.4	Very low	123 Å²	123	141.1 Å²	141.1	66%	0.658	76%	0.761	S	S	*	*			trans	89.7	111.4	150.9	-59.3	-1.1	0	0	0	119.8
175	D	36.1	Very low	33.8	Very low	138 Å²	138	143.7 Å²	143.7	74%	0.738	77%	0.769	S	S	*	*				93.7	134.9	125.1	-55.2	-12.8	0	0	0	122.5
176	D	39	Very low	33.9	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	77%	0.766	S	S	*	*			trans	66.1	114.5	152.1	-73.1	-0.4	0	0	0	123.4
177	D	40.1	Very low	34.1	Very low	158 Å²	158	148.3 Å²	148.3	85%	0.845	77%	0.774	S	S	*	*				64.8	138	123.2	-70	-9.1	0	0	0	122.5
178	G	36.5	Very low	34.5	Very low	67 Å²	67	149 Å²	149	69%	0.691	78%	0.778	S	S	*	*			trans	135.8	73.5	144.2	0	0	0	0	0	117.8
179	H	37.8	Very low	35	Very low	182 Å²	182	150.9 Å²	150.9	84%	0.843	78%	0.78	S	S	*	*			trans	50.9	116.2	146.2	-68.1	-61	0	0	0	122.2
180	H	37	Very low	35.8	Very low	156 Å²	156	150.3 Å²	150.3	72%	0.722	78%	0.778	S	S	*	*			trans	4.9	134.3	137	-65.2	-55.2	0	0	0	119.6
181	H	39	Very low	36.6	Very low	191 Å²	191	147.1 Å²	147.1	88%	0.884	77%	0.773	S	S	*	*				-151.5	141.5	100.6	-101.3	-74.1	0	0	0	111.2
182	N	33.6	Very low	37.5	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	76%	0.763	S	S	*	*			trans	-78.6	142.9	-179.9	-74.3	-18.6	0	0	0	111.7
183	D	39.1	Very low	38.7	Very low	173 Å²	173	144 Å²	144	93%	0.925	75%	0.753	S	S	*	*			trans	-137.5	136.9	141.1	-103.6	-36.4	0	0	0	109
184	G	31.7	Very low	39.7	Very low	68 Å²	68	139 Å²	139	70%	0.701	74%	0.744	S	S	*	*			trans	-89.5	135	-155.2	0	0	0	0	0	115.8
185	H	35.4	Very low	40.8	Very low	185 Å²	185	136 Å²	136	86%	0.856	73%	0.732	S	S	*	*			trans	-129.5	150.5	156.9	-92.5	10.4	0	0	0	110.7
186	H	35.7	Very low	41.8	Very low	181 Å²	181	131.5 Å²	131.5	84%	0.838	71%	0.708	S	S	*	*			trans	-53.2	133.5	-161.4	-70.6	-87.2	0	0	0	115.2	D188	H186-D188 PolarHBondContact O-N 2.85Å
187	H	33.3	Very low	42.9	Very low	173 Å²	173	127.6 Å²	127.6	80%	0.801	69%	0.689	S	S	*	*			trans	-71.6	111.4	154.3	-80.1	-77.9	0	0	0	108.5
188	D	38.4	Very low	44	Very low	148 Å²	148	122.8 Å²	122.8	79%	0.791	67%	0.665	S	S	*	*			trans	-76.6	116.4	149.5	-78.4	-40.9	0	0	0	106.6	H186 D190	H186-D188 PolarHBondContact O-N 2.85Å; D188-D190 PolarHBondContact O-N 3.45Å
189	D	39.6	Very low	45.2	Very low	141 Å²	141	125.2 Å²	125.2	75%	0.754	65%	0.654	S	S	*	*			trans	-70.7	108.7	174.7	-74.3	-44.5	0	0	0	109.1	V191	D189-V191 PolarHBondContact O-N 2.84Å
190	D	47.2	Very low	46.5	Very low	163 Å²	163	118.5 Å²	118.5	87%	0.872	62%	0.623	S	S	*	*			trans	-61.6	93.8	173.6	-83.2	-38.3	0	0	0	110.6	D188 E192	D188-D190 PolarHBondContact O-N 3.45Å; D190-E192 PolarHBondContact O-N 2.85Å
191	V	43.9	Very low	47.6	Very low	105 Å²	105	114.5 Å²	114.5	64%	0.636	61%	0.607	S	S	*	*			trans	-68.7	96.2	173.8	-178.8	0	0	0	0	109	D189 Y193	D189-V191 PolarHBondContact O-N 2.84Å; V191-Y193 WeakPolarHBondContact O-CD2 3.5Å; V191-Y193 PolarHBondContact O-N 2.84Å
192	E	47.1	Very low	48.6	Very low	118 Å²	118	107.6 Å²	107.6	55%	0.551	57%	0.573	S	S	*	*			trans	-54.4	107.4	175.9	-167.7	-177.9	-173	0	0	109.9	D190 D196 V197 I200	D190-E192 PolarHBondContact O-N 2.85Å; E192-D196 HydrophobicContact CG-CB 4.21Å; E192-V197 HydrophobicContact CG-CG2 3.83Å; E192-I200 WeakPolarHBondContact OE1-CD1 3.27Å
193	Y	56.6	Low	49.9	Very low	113 Å²	113	107 Å²	107	44%	0.443	57%	0.566	S	S	.	*			trans	-64.9	145.7	-172.8	-94.1	-111.3	0	0	0	110.4	V191 S195 D196 V197	V191-Y193 WeakPolarHBondContact O-CD2 3.5Å; V191-Y193 PolarHBondContact O-N 2.84Å; Y193-S195 PolarHBondContact O-N 2.87Å; Y193-D196 PolarHBondContact N-OD2 3.2Å; Y193-D196 WeakPolarHBondContact O-CA 3.17Å; Y193-D196 VanDerWaalsContact O-CB 3.31Å; Y193-D196 WeakPolarHBondContact O-CB 3.4Å; Y193-D196 PolarHBondContact O-N 3.03Å; Y193-V197 PolarHBondContact O-N 3.29Å; Y193-V197 VanDerWaalsContact O-N 3.08Å
194	G	52.7	Low	51	Low	55 Å²	55	108.7 Å²	108.7	57%	0.567	56%	0.559	S	S	*	*	H	α-helix	trans	-57.2	-24.7	177.8	0	0	0	0	0	114	V198	G194-V198 WeakPolarHBondContact O-CB 3.49Å; G194-V198 WeakPolarHBondContact O-CG2 3.47Å; G194-V198 PolarHBondContact O-N 2.88Å
195	S	57.8	Low	52.2	Low	58 Å²	58	108.3 Å²	108.3	41%	0.406	54%	0.543	S	S	.	.	H	α-helix	trans	-68.9	-37	170.5	48.6	0	0	0	0	112.9	Y193 R199	Y193-S195 PolarHBondContact O-N 2.87Å; S195-R199 VanDerWaalsContact O-CB 3.28Å; S195-R199 WeakPolarHBondContact O-CB 3.29Å; S195-R199 PolarHBondContact O-N 3.16Å
196	D	56.7	Low	53.4	Low	45 Å²	45	105.6 Å²	105.6	24%	0.241	53%	0.529	C	S	.	.	H	α-helix	trans	-67.9	-48.5	174.5	-61.6	-37.7	0	0	0	110.7	E192 Y193 V198 R199 I200	E192-D196 HydrophobicContact CG-CB 4.21Å; Y193-D196 PolarHBondContact N-OD2 3.2Å; Y193-D196 WeakPolarHBondContact O-CA 3.17Å; Y193-D196 VanDerWaalsContact O-CB 3.31Å; Y193-D196 WeakPolarHBondContact O-CB 3.4Å; Y193-D196 PolarHBondContact O-N 3.03Å; D196-V198 VanDerWaalsContact C-N 3.33Å; D196-V198 PolarHBondContact O-N 3.33Å; D196-R199 CarbonylContact O-C 3.55Å; D196-R199 WeakPolarHBondContact O-CB 3.24Å; D196-R199 PolarHBondContact O-N 3.25Å; D196-R199 VanDerWaalsContact O-N 3.08Å; D196-R199 IonicContact OD1-CZ 3.61Å; D196-R199 IonicContact OD1-NH1 3.07Å; D196-R199 PolarHBondContact OD1-NH1 3.49Å; D196-R199 IonicContact OD1-NH2 3.77Å; D196-R199 PolarHBondContact OD1-NH2 3.47Å; D196-I200 WeakPolarHBondContact O-CB 3.31Å; D196-I200 VanDerWaalsContact O-CG1 3.27Å; D196-I200 WeakPolarHBondContact O-CG1 3.44Å; D196-I200 PolarHBondContact O-N 2.9Å
197	V	61.6	Low	54.5	Low	54 Å²	54	99.8 Å²	99.8	33%	0.327	50%	0.504	S	S	.	.	H	α-helix	trans	-57.6	-45.6	175.4	-179.2	0	0	0	0	110.8	E192 Y193 R199 I200 I201	E192-V197 HydrophobicContact CG-CG2 3.83Å; Y193-V197 PolarHBondContact O-N 3.29Å; Y193-V197 VanDerWaalsContact O-N 3.08Å; V197-R199 PolarHBondContact O-N 3.32Å; V197-I200 PolarHBondContact O-N 3.35Å; V197-I201 HydrophobicContact CG1-CD1 3.81Å; V197-I201 HydrophobicContact CG1-CG1 4.46Å; V197-I201 WeakPolarHBondContact O-CB 3.16Å; V197-I201 VanDerWaalsContact O-CG1 3.25Å; V197-I201 WeakPolarHBondContact O-CG1 3.47Å; V197-I201 PolarHBondContact O-N 2.81Å
198	V	63.6	Low	55.5	Low	57 Å²	57	91.9 Å²	91.9	35%	0.345	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-40.2	175.5	166.3	0	0	0	0	111.8	G194 D196 R202 L209	G194-V198 WeakPolarHBondContact O-CB 3.49Å; G194-V198 WeakPolarHBondContact O-CG2 3.47Å; G194-V198 PolarHBondContact O-N 2.88Å; D196-V198 VanDerWaalsContact C-N 3.33Å; D196-V198 PolarHBondContact O-N 3.33Å; V198-R202 WeakPolarHBondContact O-CG 3.19Å; V198-R202 PolarHBondContact O-N 3.11Å; V198-L209 HydrophobicContact CG1-CD1 4.03Å
199	R	61.6	Low	56.2	Low	118 Å²	118	88.9 Å²	88.9	45%	0.445	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-46.2	175.9	-178	178.9	67.1	-112.4	-2.2	111.4	S195 D196 V197 R202 Q203	S195-R199 VanDerWaalsContact O-CB 3.28Å; S195-R199 WeakPolarHBondContact O-CB 3.29Å; S195-R199 PolarHBondContact O-N 3.16Å; D196-R199 CarbonylContact O-C 3.55Å; D196-R199 WeakPolarHBondContact O-CB 3.24Å; D196-R199 PolarHBondContact O-N 3.25Å; D196-R199 VanDerWaalsContact O-N 3.08Å; D196-R199 IonicContact OD1-CZ 3.61Å; D196-R199 IonicContact OD1-NH1 3.07Å; D196-R199 PolarHBondContact OD1-NH1 3.49Å; D196-R199 IonicContact OD1-NH2 3.77Å; D196-R199 PolarHBondContact OD1-NH2 3.47Å; V197-R199 PolarHBondContact O-N 3.32Å; R199-R202 PolarHBondContact O-N 2.75Å; R199-Q203 WeakPolarHBondContact O-CB 3.11Å; R199-Q203 WeakPolarHBondContact O-CG 3.18Å; R199-Q203 PolarHBondContact O-N 3.36Å
200	I	64.2	Low	56.4	Low	41 Å²	41	89.2 Å²	89.2	21%	0.21	44%	0.442	C	S	.	.	H	α-helix	trans	-63.2	-43.6	178.6	-70.5	162.5	0	0	0	110.3	E192 D196 V197 Q203 R204	E192-I200 WeakPolarHBondContact OE1-CD1 3.27Å; D196-I200 WeakPolarHBondContact O-CB 3.31Å; D196-I200 VanDerWaalsContact O-CG1 3.27Å; D196-I200 WeakPolarHBondContact O-CG1 3.44Å; D196-I200 PolarHBondContact O-N 2.9Å; V197-I200 PolarHBondContact O-N 3.35Å; I200-Q203 PolarHBondContact O-N 2.87Å; I200-R204 HydrophobicContact CG2-CG 4.34Å; I200-R204 VanDerWaalsContact O-CB 3.31Å; I200-R204 WeakPolarHBondContact O-CB 3.31Å; I200-R204 VanDerWaalsContact O-CG 3.31Å; I200-R204 WeakPolarHBondContact O-CG 3.45Å; I200-R204 PolarHBondContact O-N 2.73Å
201	I	61.1	Low	56.6	Low	73 Å²	73	83.2 Å²	83.2	37%	0.374	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-45.7	175	-70.1	169.9	0	0	0	110.9	V197 Q203 R204 T205 L209	V197-I201 HydrophobicContact CG1-CD1 3.81Å; V197-I201 HydrophobicContact CG1-CG1 4.46Å; V197-I201 WeakPolarHBondContact O-CB 3.16Å; V197-I201 VanDerWaalsContact O-CG1 3.25Å; V197-I201 WeakPolarHBondContact O-CG1 3.47Å; V197-I201 PolarHBondContact O-N 2.81Å; I201-Q203 PolarHBondContact O-N 2.57Å; I201-R204 PolarHBondContact O-N 3.22Å; I201-T205 HydrophobicContact CG2-CG2 4.13Å; I201-T205 WeakPolarHBondContact O-CB 3.49Å; I201-T205 WeakPolarHBondContact O-CG2 3.24Å; I201-T205 PolarHBondContact O-N 3.02Å; I201-T205 PolarHBondContact O-OG1 3.45Å; I201-L209 HydrophobicContact CG2-CD1 4.42Å; I201-L209 HydrophobicContact CG2-CD2 4.46Å
202	R	59.8	Low	56.9	Low	45 Å²	45	81 Å²	81	17%	0.17	41%	0.41	C	S	.	.	H	α-helix	trans	-59.3	-46.9	175.7	-75.3	-179.8	-168	177.2	7.6	112	V198 R199 K206 L209	V198-R202 WeakPolarHBondContact O-CG 3.19Å; V198-R202 PolarHBondContact O-N 3.11Å; R199-R202 PolarHBondContact O-N 2.75Å; R202-K206 VanDerWaalsContact O-CA 3.3Å; R202-K206 WeakPolarHBondContact O-CA 3.22Å; R202-K206 PolarHBondContact O-N 2.97Å; R202-L209 HydrophobicContact CG-CD1 3.72Å; R202-L209 HydrophobicContact CG-CG 3.97Å
203	Q	61.1	Low	57.1	Low	134 Å²	134	77.1 Å²	77.1	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-63.3	-44.7	179	-74.3	176.6	-13.9	0	0	112.3	R199 I200 I201	R199-Q203 WeakPolarHBondContact O-CB 3.11Å; R199-Q203 WeakPolarHBondContact O-CG 3.18Å; R199-Q203 PolarHBondContact O-N 3.36Å; I200-Q203 PolarHBondContact O-N 2.87Å; I201-Q203 PolarHBondContact O-N 2.57Å
204	R	61.6	Low	56.9	Low	208 Å²	208	74.6 Å²	74.6	79%	0.785	39%	0.391	S	S	*	.	H	α-helix	trans	-69.2	-43.4	179.7	-74.3	178.7	176.6	164.5	2.1	112.9	I200 I201	I200-R204 HydrophobicContact CG2-CG 4.34Å; I200-R204 VanDerWaalsContact O-CB 3.31Å; I200-R204 WeakPolarHBondContact O-CB 3.31Å; I200-R204 VanDerWaalsContact O-CG 3.31Å; I200-R204 WeakPolarHBondContact O-CG 3.45Å; I200-R204 PolarHBondContact O-N 2.73Å; I201-R204 PolarHBondContact O-N 3.22Å
205	T	58.1	Low	57	Low	60 Å²	60	73 Å²	73	37%	0.368	37%	0.369	S	S	.	.	H	α-helix	trans	-85.4	-20.3	-175.5	60.8	0	0	0	0	113.9	I201 L207	I201-T205 HydrophobicContact CG2-CG2 4.13Å; I201-T205 WeakPolarHBondContact O-CB 3.49Å; I201-T205 WeakPolarHBondContact O-CG2 3.24Å; I201-T205 PolarHBondContact O-N 3.02Å; I201-T205 PolarHBondContact O-OG1 3.45Å; T205-L207 HydrophobicContact CG2-CD1 4.38Å; T205-L207 PolarHBondContact O-N 3.14Å; T205-L207 VanDerWaalsContact O-N 3.09Å; T205-L207 WeakPolarHBondContact OG1-CB 3.35Å; T205-L207 PolarHBondContact OG1-N 3.35Å
206	K	60.4	Low	56.6	Low	127 Å²	127	74 Å²	74	55%	0.552	37%	0.37	S	S	*	.			trans	54.6	15.9	-165.3	-56.5	176.4	-178.3	171.2	0	113.7	R202 T214 L215	R202-K206 VanDerWaalsContact O-CA 3.3Å; R202-K206 WeakPolarHBondContact O-CA 3.22Å; R202-K206 PolarHBondContact O-N 2.97Å; K206-T214 CarbonylContact O-C 3.55Å; K206-T214 VanDerWaalsContact O-CA 3.3Å; K206-T214 WeakPolarHBondContact O-CA 3.5Å; K206-L215 PolarHBondContact O-N 3.17Å
207	L	58.7	Low	56.2	Low	60 Å²	60	73.8 Å²	73.8	31%	0.314	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-86.1	126.6	177	-68.8	168.5	0	0	0	110	T205 L209 T214	T205-L207 HydrophobicContact CG2-CD1 4.38Å; T205-L207 PolarHBondContact O-N 3.14Å; T205-L207 VanDerWaalsContact O-N 3.09Å; T205-L207 WeakPolarHBondContact OG1-CB 3.35Å; T205-L207 PolarHBondContact OG1-N 3.35Å; L207-L209 PolarHBondContact O-N 2.97Å; L207-L209 VanDerWaalsContact O-N 3.13Å; L207-T214 HydrophobicContact CD2-CG2 3.64Å; L207-T214 HydrophobicContact CG-CG2 4.33Å
208	N	53.6	Low	55.2	Low	6 Å²	6	74.5 Å²	74.5	3%	0.032	37%	0.374	C	S	.	.			trans	-71.6	104.6	160.9	173.4	-13.4	0	0	0	107.9	Y210 T211 G212 T213 L215 L249	N208-Y210 PolarHBondContact O-N 3.2Å; N208-Y210 WeakPolarHBondContact OD1-CB 3.39Å; N208-Y210 PolarHBondContact OD1-N 3.11Å; N208-T211 VanDerWaalsContact CB-OG1 3.27Å; N208-T211 WeakPolarHBondContact CB-OG1 3.34Å; N208-T211 PolarHBondContact ND2-OG1 2.84Å; N208-T211 PolarHBondContact O-N 3.25Å; N208-T211 VanDerWaalsContact O-N 3.13Å; N208-T211 PolarHBondContact O-OG1 2.92Å; N208-T211 PolarHBondContact OD1-N 3.38Å; N208-G212 WeakPolarHBondContact O-CA 3.32Å; N208-G212 PolarHBondContact O-N 3.35Å; N208-T213 PolarHBondContact N-O 3.17Å; N208-L215 HydrophobicContact CB-CD1 4.44Å; N208-L249 VanDerWaalsContact ND2-CD2 3.29Å; N208-L249 WeakPolarHBondContact ND2-CD2 3.47Å
209	L	52.2	Low	54	Low	85 Å²	85	75.8 Å²	75.8	45%	0.445	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.4	-176.9	-68.4	172.8	0	0	0	114.4	V198 I201 R202 L207	V198-L209 HydrophobicContact CG1-CD1 4.03Å; I201-L209 HydrophobicContact CG2-CD1 4.42Å; I201-L209 HydrophobicContact CG2-CD2 4.46Å; R202-L209 HydrophobicContact CG-CD1 3.72Å; R202-L209 HydrophobicContact CG-CG 3.97Å; L207-L209 PolarHBondContact O-N 2.97Å; L207-L209 VanDerWaalsContact O-N 3.13Å
210	Y	45.3	Very low	53.1	Low	148 Å²	148	74.9 Å²	74.9	58%	0.58	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-27.7	175.2	-70.3	-68.9	0	0	0	114.2	N208 L248	N208-Y210 PolarHBondContact O-N 3.2Å; N208-Y210 WeakPolarHBondContact OD1-CB 3.39Å; N208-Y210 PolarHBondContact OD1-N 3.11Å; Y210-L248 HydrophobicContact CD2-CB 4Å; Y210-L248 HydrophobicContact CG-CB 4.35Å; Y210-L248 HydrophobicContact CG-CD1 4.12Å
211	T	50.1	Low	51.8	Low	37 Å²	37	82.7 Å²	82.7	23%	0.227	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-18.3	178	57.5	0	0	0	0	113	N208 T213 K245	N208-T211 VanDerWaalsContact CB-OG1 3.27Å; N208-T211 WeakPolarHBondContact CB-OG1 3.34Å; N208-T211 PolarHBondContact ND2-OG1 2.84Å; N208-T211 PolarHBondContact O-N 3.25Å; N208-T211 VanDerWaalsContact O-N 3.13Å; N208-T211 PolarHBondContact O-OG1 2.92Å; N208-T211 PolarHBondContact OD1-N 3.38Å; T211-T213 PolarHBondContact O-N 3.24Å; T211-T213 PolarHBondContact OG1-N 2.78Å; T211-T213 PolarHBondContact OG1-OG1 2.8Å; T211-K245 HydrophobicContact CG2-CB 4.44Å; T211-K245 HydrophobicContact CG2-CD 4.04Å; T211-K245 HydrophobicContact CG2-CG 4.34Å
212	G	52	Low	50.5	Low	58 Å²	58	82.8 Å²	82.8	60%	0.598	43%	0.43	S	S	*	.			trans	69.6	4.5	-170.1	0	0	0	0	0	113.8	N208	N208-G212 WeakPolarHBondContact O-CA 3.32Å; N208-G212 PolarHBondContact O-N 3.35Å
213	T	50.9	Low	49.2	Very low	37 Å²	37	86.6 Å²	86.6	23%	0.227	46%	0.458	C	S	.	.			trans	-92.7	140.9	-179.6	59.4	0	0	0	0	110.4	N208 T211 I227	N208-T213 PolarHBondContact N-O 3.17Å; T211-T213 PolarHBondContact O-N 3.24Å; T211-T213 PolarHBondContact OG1-N 2.78Å; T211-T213 PolarHBondContact OG1-OG1 2.8Å; T213-I227 HydrophobicContact CG2-CD1 4.09Å
214	T	52.5	Low	48	Very low	61 Å²	61	85.9 Å²	85.9	37%	0.374	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-61.9	147.1	162.5	38.8	0	0	0	0	109.6	K206 L207 D216	K206-T214 CarbonylContact O-C 3.55Å; K206-T214 VanDerWaalsContact O-CA 3.3Å; K206-T214 WeakPolarHBondContact O-CA 3.5Å; L207-T214 HydrophobicContact CD2-CG2 3.64Å; L207-T214 HydrophobicContact CG-CG2 4.33Å; T214-D216 PolarHBondContact O-N 2.94Å
215	L	55	Low	46.8	Very low	21 Å²	21	82.3 Å²	82.3	11%	0.11	47%	0.469	C	S	.	.	S	Bend	trans	-70.2	17.3	169.4	-92.4	129.9	0	0	0	113.1	K206 N208 I217 E253 V257 K260	K206-L215 PolarHBondContact O-N 3.17Å; N208-L215 HydrophobicContact CB-CD1 4.44Å; L215-I217 PolarHBondContact O-N 3.36Å; L215-I217 VanDerWaalsContact O-N 3.17Å; L215-E253 HydrophobicContact CD1-CB 4.41Å; L215-E253 HydrophobicContact CD1-CG 3.8Å; L215-E253 HydrophobicContact CD2-CB 3.94Å; L215-E253 HydrophobicContact CD2-CG 4.19Å; L215-V257 HydrophobicContact CD2-CG2 3.85Å; L215-K260 PolarHBondContact O-NZ 3.33Å
216	D	47.9	Very low	46.4	Very low	79 Å²	79	84.3 Å²	84.3	42%	0.422	49%	0.486	S	S	.	.			trans	-81.5	90.4	169.9	-62.2	-39.5	0	0	0	108.3	T214 P218 K260	T214-D216 PolarHBondContact O-N 2.94Å; D216-P218 VanDerWaalsContact O-CD 3.28Å; D216-P218 WeakPolarHBondContact O-CD 3.31Å; D216-P218 VanDerWaalsContact O-N 3.13Å; D216-K260 IonicContact OD1-NZ 3.22Å
217	I	49.8	Very low	46.2	Very low	40 Å²	40	84.8 Å²	84.8	21%	0.205	49%	0.493	C	S	.	.			trans	-49.3	120.8	154.7	-50.3	-153.3	0	0	0	105.9	L215 S219 Y244 V257 K260	L215-I217 PolarHBondContact O-N 3.36Å; L215-I217 VanDerWaalsContact O-N 3.17Å; I217-S219 PolarHBondContact O-N 2.92Å; I217-Y244 HydrophobicContact CD1-CE2 4.26Å; I217-Y244 HydrophobicContact CG1-CE1 4.32Å; I217-Y244 VanDerWaalsContact CG1-OH 3.26Å; I217-Y244 WeakPolarHBondContact CG1-OH 3.35Å; I217-V257 HydrophobicContact CD1-CB 4.44Å; I217-V257 HydrophobicContact CD1-CG1 4.03Å; I217-V257 WeakPolarHBondContact CD1-O 3.46Å; I217-K260 HydrophobicContact CB-CB 4.4Å; I217-K260 HydrophobicContact CB-CD 4.29Å; I217-K260 HydrophobicContact CD1-CB 3.59Å; I217-K260 HydrophobicContact CD1-CD 4.39Å; I217-K260 HydrophobicContact CG1-CB 3.95Å; I217-K260 HydrophobicContact CG1-CD 3.87Å
218	P	39.1	Very low	46.5	Very low	69 Å²	69	87.1 Å²	87.1	45%	0.448	51%	0.512	S	S	.	.			trans	-60.6	109.9	178.2	-22	32.9	0	0	0	108.3	D216 N220	D216-P218 VanDerWaalsContact O-CD 3.28Å; D216-P218 WeakPolarHBondContact O-CD 3.31Å; D216-P218 VanDerWaalsContact O-N 3.13Å; P218-N220 PolarHBondContact O-N 2.79Å
219	S	38.7	Very low	47.6	Very low	85 Å²	85	90.6 Å²	90.6	59%	0.594	53%	0.528	S	S	*	.			trans	-58.3	131.3	159.5	58.8	0	0	0	0	106.4	I217 K221 S222	I217-S219 PolarHBondContact O-N 2.92Å; S219-K221 PolarHBondContact O-N 2.81Å; S219-S222 PolarHBondContact O-N 2.93Å
220	N	42.1	Very low	49.3	Very low	98 Å²	98	92.7 Å²	92.7	52%	0.524	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	10.8	-168.2	-93.7	17.7	0	0	0	117.1	P218 G599	P218-N220 PolarHBondContact O-N 2.79Å; N220-G599 VanDerWaalsContact ND2-C 3.32Å; N220-G599 VanDerWaalsContact ND2-CA 3.3Å; N220-G599 WeakPolarHBondContact ND2-CA 3.46Å; N220-G599 PolarHBondContact ND2-O 3.29Å
221	K	38.7	Very low	51.4	Low	205 Å²	205	90 Å²	90	89%	0.891	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-3.6	-175.4	-62.1	-172.5	176.1	-176.3	0	114.7	S219	S219-K221 PolarHBondContact O-N 2.81Å
222	S	34.1	Very low	53.4	Low	76 Å²	76	89 Å²	89	53%	0.531	52%	0.522	S	S	.	.	S	Bend	trans	-114	109.5	178.5	56.9	0	0	0	0	112.1	S219	S219-S222 PolarHBondContact O-N 2.93Å
223	T	32	Very low	55.3	Low	124 Å²	124	91.6 Å²	91.6	76%	0.761	53%	0.531	S	S	*	.			trans	-15.2	133.9	164.2	47.8	0	0	0	0	116.7	T225	T223-T225 PolarHBondContact O-N 2.92Å
224	S	34.8	Very low	57.2	Low	119 Å²	119	96 Å²	96	83%	0.832	55%	0.549	S	S	*	.			trans	-64	82.8	174.6	56.3	0	0	0	0	113.6	S226	S224-S226 PolarHBondContact O-N 2.8Å; S224-S226 VanDerWaalsContact O-N 3.17Å
225	T	37.7	Very low	59	Low	133 Å²	133	94.9 Å²	94.9	82%	0.816	55%	0.549	S	S	*	.			trans	-65.6	109.5	157.3	1.7	0	0	0	0	107.4	T223 I227	T223-T225 PolarHBondContact O-N 2.92Å; T225-I227 PolarHBondContact O-N 3.14Å; T225-I227 VanDerWaalsContact O-N 3.11Å
226	S	48.2	Very low	60.8	Low	103 Å²	103	98.4 Å²	98.4	72%	0.72	56%	0.562	S	S	*	*			trans	-67.4	108.8	-169	52.3	0	0	0	0	111.9	S224 P228	S224-S226 PolarHBondContact O-N 2.8Å; S224-S226 VanDerWaalsContact O-N 3.17Å; S226-P228 WeakPolarHBondContact O-CD 3.41Å
227	I	57.4	Low	63	Low	136 Å²	136	94.9 Å²	94.9	70%	0.697	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-56.5	118.8	152.1	-59.6	173.1	0	0	0	105.5	T213 T225 E229	T213-I227 HydrophobicContact CG2-CD1 4.09Å; T225-I227 PolarHBondContact O-N 3.14Å; T225-I227 VanDerWaalsContact O-N 3.11Å; I227-E229 PolarHBondContact O-N 3.13Å
228	P	65.4	Low	65	Low	110 Å²	110	94.3 Å²	94.3	71%	0.714	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-59.9	133.2	-175	22.4	-32.2	0	0	0	109.9	S226 K230	S226-P228 WeakPolarHBondContact O-CD 3.41Å; P228-K230 PolarHBondContact O-N 2.99Å
229	E	76.4	Confident	67.3	Low	78 Å²	78	91.3 Å²	91.3	36%	0.364	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-65.4	123.8	-178.5	-176.4	154.6	-113.7	0	0	109.7	I227 L231 R237 R585	I227-E229 PolarHBondContact O-N 3.13Å; E229-L231 HydrophobicContact CG-CD2 4.38Å; E229-L231 PolarHBondContact O-N 2.91Å; E229-L231 VanDerWaalsContact O-N 3.17Å; E229-R237 HydrophobicContact CG-CG 3.98Å; E229-R237 WeakPolarHBondContact OE1-CD 3.31Å; E229-R237 IonicContact OE1-CZ 3.63Å; E229-R237 IonicContact OE1-NE 3.91Å; E229-R237 PolarHBondContact OE1-NE 3.38Å; E229-R585 IonicContact OE1-CZ 3.77Å; E229-R585 IonicContact OE1-NH2 3.52Å; E229-R585 PolarHBondContact OE1-NH2 2.79Å; E229-R585 IonicContact OE2-CZ 2.7Å; E229-R585 IonicContact OE2-NH1 3.15Å; E229-R585 IonicContact OE2-NH2 2.76Å; E229-R585 PolarHBondContact OE2-NH2 3.19Å
230	K	86.5	Confident	69.3	Low	130 Å²	130	91.2 Å²	91.2	57%	0.565	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-67.2	116.3	-178.5	-171.2	174.8	-174.1	168.3	0	109.5	P228 I238	P228-K230 PolarHBondContact O-N 2.99Å; K230-I238 HydrophobicContact CB-CB 4.43Å; K230-I238 HydrophobicContact CD-CB 4.43Å; K230-I238 HydrophobicContact CD-CG2 4.46Å; K230-I238 HydrophobicContact CG-CB 4.21Å; K230-I238 HydrophobicContact CG-CD1 4.35Å; K230-I238 PolarHBondContact O-N 3.5Å
231	L	91.1	Very high	70.8	Confident	92 Å²	92	86.7 Å²	86.7	48%	0.482	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-99.5	157.4	175.7	-54.2	-176.1	0	0	0	111.1	E229 Y236	E229-L231 HydrophobicContact CG-CD2 4.38Å; E229-L231 PolarHBondContact O-N 2.91Å; E229-L231 VanDerWaalsContact O-N 3.17Å; L231-Y236 CarbonylContact C-O 3.57Å; L231-Y236 VanDerWaalsContact CA-O 3.28Å; L231-Y236 WeakPolarHBondContact CA-O 3.32Å
232	D	90.4	Very high	72.6	Confident	16 Å²	16	78.4 Å²	78.4	9%	0.086	45%	0.454	C	S	.	.			trans	-85.8	175.2	164.6	86.5	-12	0	0	0	111.3	Q234 G235 Y236 I238 R503 K506	D232-Q234 PolarHBondContact O-N 2.82Å; D232-Q234 WeakPolarHBondContact OD1-CA 3.43Å; D232-Q234 WeakPolarHBondContact OD1-CB 3.5Å; D232-Q234 PolarHBondContact OD1-N 3.45Å; D232-G235 PolarHBondContact O-N 2.75Å; D232-G235 PolarHBondContact OD1-N 3.33Å; D232-Y236 PolarHBondContact N-O 2.99Å; D232-Y236 PolarHBondContact OD1-N 3.45Å; D232-Y236 VanDerWaalsContact OD1-N 3.14Å; D232-I238 HydrophobicContact CB-CD1 3.87Å; D232-I238 HydrophobicContact CB-CG1 3.92Å; D232-R503 WeakPolarHBondContact OD2-CD 3.19Å; D232-R503 IonicContact OD2-CZ 3.7Å; D232-R503 IonicContact OD2-NH1 3.51Å; D232-R503 PolarHBondContact OD2-NH1 2.78Å; D232-K506 WeakPolarHBondContact OD2-CE 3.21Å
233	S	92.2	Very high	74.5	Confident	112 Å²	112	77.9 Å²	77.9	78%	0.783	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	2.8	180	56.7	0	0	0	0	114.7
234	Q	90.7	Very high	76.9	Confident	128 Å²	128	73.5 Å²	73.5	60%	0.598	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	10	176	-58.2	-68.6	-83.3	0	0	111.7	D232 Y236	D232-Q234 PolarHBondContact O-N 2.82Å; D232-Q234 WeakPolarHBondContact OD1-CA 3.43Å; D232-Q234 WeakPolarHBondContact OD1-CB 3.5Å; D232-Q234 PolarHBondContact OD1-N 3.45Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 HydrophobicContact CB-CD2 3.83Å; Q234-Y236 HydrophobicContact CB-CE2 4.16Å; Q234-Y236 WeakPolarHBondContact O-CD2 3.4Å; Q234-Y236 PolarHBondContact O-N 2.78Å
235	G	91.3	Very high	79.4	Confident	38 Å²	38	70.8 Å²	70.8	39%	0.392	39%	0.392	S	S	.	.	S	Bend	trans	80.5	5.7	178	0	0	0	0	0	115.2	D232	D232-G235 PolarHBondContact O-N 2.75Å; D232-G235 PolarHBondContact OD1-N 3.33Å
236	Y	93	Very high	81.9	Confident	95 Å²	95	64.5 Å²	64.5	37%	0.373	35%	0.354	S	S	.	.			trans	-87.9	146	178.6	-69.6	-96.1	0	0	0	111.5	L231 D232 Q234 I238 N501 R503	L231-Y236 CarbonylContact C-O 3.57Å; L231-Y236 VanDerWaalsContact CA-O 3.28Å; L231-Y236 WeakPolarHBondContact CA-O 3.32Å; D232-Y236 PolarHBondContact N-O 2.99Å; D232-Y236 PolarHBondContact OD1-N 3.45Å; D232-Y236 VanDerWaalsContact OD1-N 3.14Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 HydrophobicContact CB-CD2 3.83Å; Q234-Y236 HydrophobicContact CB-CE2 4.16Å; Q234-Y236 WeakPolarHBondContact O-CD2 3.4Å; Q234-Y236 PolarHBondContact O-N 2.78Å; Y236-I238 PolarHBondContact O-N 3.3Å; Y236-N501 WeakPolarHBondContact CD1-OD1 3.35Å; Y236-R503 HydrophobicContact CD1-CG 3.72Å; Y236-R503 VanDerWaalsContact CD2-CD 3.41Å; Y236-R503 HydrophobicContact CD2-CG 3.6Å; Y236-R503 HydrophobicContact CE1-CG 4.07Å; Y236-R503 HydrophobicContact CE2-CG 3.94Å; Y236-R503 HydrophobicContact CG-CG 3.46Å; Y236-R503 VanDerWaalsContact CG-CG 3.46Å
237	R	93.6	Very high	83.8	Confident	5 Å²	5	63.1 Å²	63.1	2%	0.019	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-55.8	129	175.2	-178.7	-179.1	-175.4	-108.6	-11.7	111.1	E229 P239 E241 N501 I502 N582	E229-R237 HydrophobicContact CG-CG 3.98Å; E229-R237 WeakPolarHBondContact OE1-CD 3.31Å; E229-R237 IonicContact OE1-CZ 3.63Å; E229-R237 IonicContact OE1-NE 3.91Å; E229-R237 PolarHBondContact OE1-NE 3.38Å; R237-P239 WeakPolarHBondContact O-CD 3.48Å; R237-E241 IonicContact CZ-OE1 2.73Å; R237-E241 VanDerWaalsContact CZ-OE1 3.26Å; R237-E241 IonicContact NH1-OE1 3.71Å; R237-E241 PolarHBondContact NH1-OE1 3.33Å; R237-E241 IonicContact NH2-OE1 3.32Å; R237-E241 PolarHBondContact NH2-OE1 3.34Å; R237-N501 WeakPolarHBondContact CB-O 3.31Å; R237-N501 PolarHBondContact N-O 3.4Å; R237-I502 HydrophobicContact CB-CG1 4.07Å; R237-I502 HydrophobicContact CG-CG1 4.33Å; R237-N582 PolarHBondContact NH1-OD1 3.4Å
238	I	91.8	Very high	85.3	Confident	29 Å²	29	59.8 Å²	59.8	15%	0.149	32%	0.321	C	S	.	.			trans	-95.9	108.9	157.7	-56.6	-178	0	0	0	106.1	K230 D232 Y236 D240 K506 Y509	K230-I238 HydrophobicContact CB-CB 4.43Å; K230-I238 HydrophobicContact CD-CB 4.43Å; K230-I238 HydrophobicContact CD-CG2 4.46Å; K230-I238 HydrophobicContact CG-CB 4.21Å; K230-I238 HydrophobicContact CG-CD1 4.35Å; K230-I238 PolarHBondContact O-N 3.5Å; D232-I238 HydrophobicContact CB-CD1 3.87Å; D232-I238 HydrophobicContact CB-CG1 3.92Å; Y236-I238 PolarHBondContact O-N 3.3Å; I238-D240 PolarHBondContact O-N 2.81Å; I238-K506 HydrophobicContact CG1-CD 4.14Å; I238-Y509 HydrophobicContact CG2-CD2 4.06Å; I238-Y509 HydrophobicContact CG2-CE2 4.44Å
239	P	88.1	Confident	86.5	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.032	29%	0.288	C	S	.	.			trans	-58.9	125.4	176.6	-23.8	34.4	0	0	0	110.8	R237 E241 I502 Y509 I510	R237-P239 WeakPolarHBondContact O-CD 3.48Å; P239-E241 HydrophobicContact CB-CG 3.99Å; P239-I502 HydrophobicContact CG-CD1 3.56Å; P239-I502 HydrophobicContact CG-CG1 4.06Å; P239-I502 HydrophobicContact CG-CG2 4.47Å; P239-Y509 WeakPolarHBondContact O-CB 3.34Å; P239-I510 HydrophobicContact CB-CG1 4.27Å; P239-I510 HydrophobicContact CG-CG1 3.73Å
240	D	79.6	Confident	87.2	Confident	83 Å²	83	53.9 Å²	53.9	44%	0.444	29%	0.289	S	S	.	.			trans	-118.7	92	160.1	-151.4	-16.2	0	0	0	106.4	I238 K245	I238-D240 PolarHBondContact O-N 2.81Å; D240-K245 IonicContact OD1-NZ 3.5Å; D240-K245 PolarHBondContact OD1-NZ 2.77Å; D240-K245 IonicContact OD2-NZ 2.72Å; D240-K245 PolarHBondContact OD2-NZ 3.34Å
241	E	74.3	Confident	87.5	Confident	4 Å²	4	51 Å²	51	2%	0.019	28%	0.277	C	S	.	.			trans	-108	3.3	-171.1	-63.7	-176.2	176.4	0	0	112.2	R237 P239 P243 G511 H513 H578 N582	R237-E241 IonicContact CZ-OE1 2.73Å; R237-E241 VanDerWaalsContact CZ-OE1 3.26Å; R237-E241 IonicContact NH1-OE1 3.71Å; R237-E241 PolarHBondContact NH1-OE1 3.33Å; R237-E241 IonicContact NH2-OE1 3.32Å; R237-E241 PolarHBondContact NH2-OE1 3.34Å; P239-E241 HydrophobicContact CB-CG 3.99Å; E241-P243 WeakPolarHBondContact O-CD 3.32Å; E241-G511 PolarHBondContact OE2-N 2.86Å; E241-H513 IonicContact OE2-CE1 3.76Å; E241-H513 PolarHBondContact OE2-CE1 3.11Å; E241-H578 HydrophobicContact CB-CB 3.74Å; E241-H578 HydrophobicContact CG-CB 3.82Å; E241-H578 PolarHBondContact O-ND1 3.43Å; E241-N582 PolarHBondContact OE1-ND2 2.82Å; E241-N582 PolarHBondContact OE2-ND2 3.37Å
242	D	75.8	Confident	87.4	Confident	30 Å²	30	51 Å²	51	16%	0.16	27%	0.274	C	S	.	.			trans	-108.2	93.5	168.9	-169.4	5.2	0	0	0	110.2	Y244	D242-Y244 PolarHBondContact O-N 3.02Å; D242-Y244 VanDerWaalsContact OD1-C 3.27Å; D242-Y244 PolarHBondContact OD1-N 2.9Å
243	P	74.8	Confident	87.5	Confident	66 Å²	66	51.4 Å²	51.4	43%	0.429	28%	0.276	S	S	.	.	S	Bend	trans	-67.8	-21	178	29.3	-34.6	0	0	0	112.5	E241	E241-P243 WeakPolarHBondContact O-CD 3.32Å
244	Y	81.5	Confident	87.6	Confident	31 Å²	31	46 Å²	46	12%	0.122	24%	0.239	C	C	.	.			trans	-126.3	85.9	-175.1	-49.8	-55.8	0	0	0	109	I217 D242 F246 V257 P275	I217-Y244 HydrophobicContact CD1-CE2 4.26Å; I217-Y244 HydrophobicContact CG1-CE1 4.32Å; I217-Y244 VanDerWaalsContact CG1-OH 3.26Å; I217-Y244 WeakPolarHBondContact CG1-OH 3.35Å; D242-Y244 PolarHBondContact O-N 3.02Å; D242-Y244 VanDerWaalsContact OD1-C 3.27Å; D242-Y244 PolarHBondContact OD1-N 2.9Å; Y244-F246 WeakPolarHBondContact O-CD2 3.07Å; Y244-F246 PolarHBondContact O-N 2.88Å; Y244-V257 HydrophobicContact CD1-CG1 4.19Å; Y244-V257 HydrophobicContact CD1-CG2 3.96Å; Y244-V257 HydrophobicContact CD2-CG1 3.62Å; Y244-V257 HydrophobicContact CE1-CG1 4.46Å; Y244-V257 HydrophobicContact CE1-CG2 4.26Å; Y244-V257 HydrophobicContact CE2-CG1 3.92Å; Y244-V257 HydrophobicContact CG-CG1 3.79Å; Y244-V257 HydrophobicContact CG-CG2 4.29Å; Y244-P275 HydrophobicContact CD2-CB 4.17Å
245	K	88	Confident	87.8	Confident	62 Å²	62	40 Å²	40	27%	0.27	21%	0.21	S	C	.	.			trans	-67.1	80.5	172.5	-65.7	173.7	-172.4	158.9	0	108.7	T211 D240 D247 L248	T211-K245 HydrophobicContact CG2-CB 4.44Å; T211-K245 HydrophobicContact CG2-CD 4.04Å; T211-K245 HydrophobicContact CG2-CG 4.34Å; D240-K245 IonicContact OD1-NZ 3.5Å; D240-K245 PolarHBondContact OD1-NZ 2.77Å; D240-K245 IonicContact OD2-NZ 2.72Å; D240-K245 PolarHBondContact OD2-NZ 3.34Å; K245-D247 PolarHBondContact O-N 2.91Å; K245-L248 HydrophobicContact CB-CB 4.4Å; K245-L248 HydrophobicContact CB-CD1 3.91Å; K245-L248 HydrophobicContact CB-CG 4.13Å; K245-L248 HydrophobicContact CD-CD1 4.19Å; K245-L248 WeakPolarHBondContact O-CA 3.43Å; K245-L248 WeakPolarHBondContact O-CB 3.19Å; K245-L248 PolarHBondContact O-N 3.22Å
246	F	90.1	Very high	87.9	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.009	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-54.6	-38.6	-169.2	-84.7	-83.9	0	0	0	112.2	Y244 L248 L249 A254 V257 P275 I278 H288	Y244-F246 WeakPolarHBondContact O-CD2 3.07Å; Y244-F246 PolarHBondContact O-N 2.88Å; F246-L248 PolarHBondContact O-N 2.85Å; F246-L249 HydrophobicContact CD1-CD1 3.95Å; F246-L249 HydrophobicContact CE1-CD1 4.22Å; F246-L249 HydrophobicContact CG-CD1 4.44Å; F246-L249 WeakPolarHBondContact O-CB 3.14Å; F246-L249 PolarHBondContact O-N 2.88Å; F246-A254 HydrophobicContact CD1-CB 3.91Å; F246-A254 HydrophobicContact CE1-CB 4.11Å; F246-V257 HydrophobicContact CE1-CB 4.4Å; F246-V257 HydrophobicContact CE1-CG1 4.16Å; F246-V257 HydrophobicContact CZ-CB 4.38Å; F246-V257 HydrophobicContact CZ-CG1 3.66Å; F246-P275 HydrophobicContact CE2-CB 4.23Å; F246-P275 HydrophobicContact CE2-CG 3.78Å; F246-P275 HydrophobicContact CZ-CB 4.42Å; F246-P275 HydrophobicContact CZ-CG 3.57Å; F246-I278 HydrophobicContact CD1-CB 4.1Å; F246-I278 HydrophobicContact CD1-CD1 4.01Å; F246-I278 HydrophobicContact CD1-CG1 4.2Å; F246-I278 HydrophobicContact CD2-CB 3.75Å; F246-I278 HydrophobicContact CE1-CB 4.14Å; F246-I278 HydrophobicContact CE1-CD1 3.88Å; F246-I278 HydrophobicContact CE1-CG1 4.38Å; F246-I278 HydrophobicContact CE2-CB 3.79Å; F246-I278 HydrophobicContact CE2-CG2 4.12Å; F246-I278 HydrophobicContact CG-CB 3.91Å; F246-I278 HydrophobicContact CG-CG1 4.35Å; F246-I278 HydrophobicContact CZ-CB 3.99Å; F246-I278 HydrophobicContact CZ-CD1 4.39Å; F246-I278 HydrophobicContact CZ-CG2 4.19Å; F246-H288 PolarHBondContact O-CD2 2.83Å
247	D	87.6	Confident	87.9	Confident	74 Å²	74	36.3 Å²	36.3	40%	0.396	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-59.1	-22.3	177.6	-55.1	-46.5	0	0	0	112.9	K245 K287 K326	K245-D247 PolarHBondContact O-N 2.91Å; D247-K287 WeakPolarHBondContact O-CD 3.4Å; D247-K287 PolarHBondContact O-NZ 2.92Å; D247-K326 IonicContact OD1-NZ 2.66Å; D247-K326 IonicContact OD2-NZ 3.9Å
248	L	88.8	Confident	88	Confident	66 Å²	66	36.1 Å²	36.1	35%	0.346	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-94.7	-11.3	176.6	-53.5	-178.5	0	0	0	114.2	Y210 K245 F246	Y210-L248 HydrophobicContact CD2-CB 4Å; Y210-L248 HydrophobicContact CG-CB 4.35Å; Y210-L248 HydrophobicContact CG-CD1 4.12Å; K245-L248 HydrophobicContact CB-CB 4.4Å; K245-L248 HydrophobicContact CB-CD1 3.91Å; K245-L248 HydrophobicContact CB-CG 4.13Å; K245-L248 HydrophobicContact CD-CD1 4.19Å; K245-L248 WeakPolarHBondContact O-CA 3.43Å; K245-L248 WeakPolarHBondContact O-CB 3.19Å; K245-L248 PolarHBondContact O-N 3.22Å; F246-L248 PolarHBondContact O-N 2.85Å
249	L	90.4	Very high	88.1	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.186	C	C	.	.	S	Bend	trans	-79.2	151.5	177.7	-61.4	-177.5	0	0	0	111.4	N208 F246 E253 A254 V257 K287 H288	N208-L249 VanDerWaalsContact ND2-CD2 3.29Å; N208-L249 WeakPolarHBondContact ND2-CD2 3.47Å; F246-L249 HydrophobicContact CD1-CD1 3.95Å; F246-L249 HydrophobicContact CE1-CD1 4.22Å; F246-L249 HydrophobicContact CG-CD1 4.44Å; F246-L249 WeakPolarHBondContact O-CB 3.14Å; F246-L249 PolarHBondContact O-N 2.88Å; L249-E253 HydrophobicContact CB-CB 4.11Å; L249-E253 HydrophobicContact CD2-CB 4.17Å; L249-A254 HydrophobicContact CB-CB 4.27Å; L249-A254 HydrophobicContact CD1-CB 4.26Å; L249-V257 HydrophobicContact CD1-CG2 4.28Å; L249-K287 PolarHBondContact O-NZ 2.63Å; L249-H288 PolarHBondContact O-NE2 3.48Å
250	T	92.4	Very high	88.4	Confident	63 Å²	63	40.3 Å²	40.3	39%	0.387	20%	0.202	S	C	.	.			trans	-69.9	164.5	157.9	61.1	0	0	0	0	110.4	E252 E253 A254 H288	T250-E252 PolarHBondContact O-N 3.13Å; T250-E253 WeakPolarHBondContact CB-OE2 3.47Å; T250-E253 WeakPolarHBondContact CG2-OE2 3.28Å; T250-E253 PolarHBondContact N-OE2 3.07Å; T250-E253 PolarHBondContact O-N 3.18Å; T250-E253 WeakPolarHBondContact OG1-CB 3.22Å; T250-E253 WeakPolarHBondContact OG1-CG 3.25Å; T250-E253 PolarHBondContact OG1-N 3.42Å; T250-E253 PolarHBondContact OG1-OE2 3.04Å; T250-A254 WeakPolarHBondContact O-CB 3.45Å; T250-A254 PolarHBondContact O-N 3.08Å; T250-H288 PolarHBondContact O-NE2 3.06Å
251	E	91.2	Very high	89.1	Confident	68 Å²	68	37.3 Å²	37.3	32%	0.318	19%	0.188	S	C	.	.	H	α-helix	trans	-62.1	-41.1	178.8	-165.2	-177.9	-152.7	0	0	112.4	A254 A255 L293 R296	E251-A254 PolarHBondContact O-N 3.34Å; E251-A255 WeakPolarHBondContact O-CB 3.38Å; E251-A255 PolarHBondContact O-N 2.95Å; E251-L293 HydrophobicContact CG-CD2 3.44Å; E251-L293 VanDerWaalsContact CG-CD2 3.44Å; E251-R296 IonicContact OE1-CZ 2.65Å; E251-R296 IonicContact OE1-NE 2.7Å; E251-R296 PolarHBondContact OE1-NE 2.77Å; E251-R296 VanDerWaalsContact OE1-NE 3.12Å; E251-R296 IonicContact OE1-NH1 3.12Å; E251-R296 PolarHBondContact OE1-NH1 2.83Å; E251-R296 IonicContact OE1-NH2 3.76Å; E251-R296 PolarHBondContact OE1-NH2 3.31Å; E251-R296 IonicContact OE2-CZ 3.27Å; E251-R296 IonicContact OE2-NE 3.3Å; E251-R296 PolarHBondContact OE2-NE 3.35Å; E251-R296 IonicContact OE2-NH2 3.21Å; E251-R296 PolarHBondContact OE2-NH2 2.91Å
252	E	90.5	Very high	90.1	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-41.3	177.1	-172.6	66.4	-167.1	0	0	111.7	T250 A255 M256	T250-E252 PolarHBondContact O-N 3.13Å; E252-A255 PolarHBondContact O-N 3.48Å; E252-M256 VanDerWaalsContact O-CB 3.24Å; E252-M256 WeakPolarHBondContact O-CB 3.17Å; E252-M256 PolarHBondContact O-N 2.93Å
253	E	92.3	Very high	90.9	Very high	25 Å²	25	40.7 Å²	40.7	12%	0.117	21%	0.205	C	C	.	.	H	α-helix	trans	-63.6	-42.2	174.3	-72.8	165.4	142.7	0	0	111.5	L215 L249 T250 M256 V257	L215-E253 HydrophobicContact CD1-CB 4.41Å; L215-E253 HydrophobicContact CD1-CG 3.8Å; L215-E253 HydrophobicContact CD2-CB 3.94Å; L215-E253 HydrophobicContact CD2-CG 4.19Å; L249-E253 HydrophobicContact CB-CB 4.11Å; L249-E253 HydrophobicContact CD2-CB 4.17Å; T250-E253 WeakPolarHBondContact CB-OE2 3.47Å; T250-E253 WeakPolarHBondContact CG2-OE2 3.28Å; T250-E253 PolarHBondContact N-OE2 3.07Å; T250-E253 PolarHBondContact O-N 3.18Å; T250-E253 WeakPolarHBondContact OG1-CB 3.22Å; T250-E253 WeakPolarHBondContact OG1-CG 3.25Å; T250-E253 PolarHBondContact OG1-N 3.42Å; T250-E253 PolarHBondContact OG1-OE2 3.04Å; E253-M256 PolarHBondContact O-N 3.16Å; E253-V257 WeakPolarHBondContact O-CG2 3.38Å; E253-V257 PolarHBondContact O-N 3.34Å
254	A	94.2	Very high	91.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-43.7	177.2	0	0	0	0	0	112.1	F246 L249 T250 E251 M256 V257 L258 H288 L293	F246-A254 HydrophobicContact CD1-CB 3.91Å; F246-A254 HydrophobicContact CE1-CB 4.11Å; L249-A254 HydrophobicContact CB-CB 4.27Å; L249-A254 HydrophobicContact CD1-CB 4.26Å; T250-A254 WeakPolarHBondContact O-CB 3.45Å; T250-A254 PolarHBondContact O-N 3.08Å; E251-A254 PolarHBondContact O-N 3.34Å; A254-M256 VanDerWaalsContact C-N 3.35Å; A254-V257 PolarHBondContact O-N 3.12Å; A254-L258 PolarHBondContact O-N 3.21Å; A254-L258 VanDerWaalsContact O-N 3.08Å; A254-H288 HydrophobicContact CB-CB 4.46Å; A254-L293 HydrophobicContact CB-CD1 3.71Å; A254-L293 HydrophobicContact CB-CD2 4.37Å
255	A	94.4	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-41.1	173.8	0	0	0	0	0	111.8	E251 E252 V257 L258 Y259 L293 R296 L300	E251-A255 WeakPolarHBondContact O-CB 3.38Å; E251-A255 PolarHBondContact O-N 2.95Å; E252-A255 PolarHBondContact O-N 3.48Å; A255-V257 PolarHBondContact O-N 3.36Å; A255-L258 PolarHBondContact O-N 3.28Å; A255-Y259 VanDerWaalsContact O-CB 3.24Å; A255-Y259 WeakPolarHBondContact O-CB 3.41Å; A255-Y259 PolarHBondContact O-N 3.42Å; A255-L293 HydrophobicContact CB-CD2 4.32Å; A255-R296 HydrophobicContact CB-CB 3.49Å; A255-R296 VanDerWaalsContact CB-CB 3.49Å; A255-R296 HydrophobicContact CB-CG 4.32Å; A255-L300 HydrophobicContact CB-CD1 4.34Å
256	M	93.1	Very high	92.2	Very high	56 Å²	56	42.4 Å²	42.4	28%	0.276	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-38.6	175.7	-175	60.3	59.1	0	0	112.3	E252 E253 A254 Y259 K260 L300	E252-M256 VanDerWaalsContact O-CB 3.24Å; E252-M256 WeakPolarHBondContact O-CB 3.17Å; E252-M256 PolarHBondContact O-N 2.93Å; E253-M256 PolarHBondContact O-N 3.16Å; A254-M256 VanDerWaalsContact C-N 3.35Å; M256-Y259 HydrophobicContact SD-CD1 4.28Å; M256-K260 HydrophobicContact CG-CD 4.43Å; M256-K260 WeakPolarHBondContact O-CB 3.46Å; M256-K260 WeakPolarHBondContact O-CG 3.44Å; M256-K260 PolarHBondContact O-N 2.9Å; M256-K260 HydrophobicContact SD-CG 4.35Å; M256-L300 HydrophobicContact CE-CD1 4.05Å; M256-L300 HydrophobicContact CE-CD2 3.76Å
257	V	93.6	Very high	92	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-47	173.8	168.2	0	0	0	0	110.9	L215 I217 Y244 F246 L249 E253 A254 A255 K260 S261 P275	L215-V257 HydrophobicContact CD2-CG2 3.85Å; I217-V257 HydrophobicContact CD1-CB 4.44Å; I217-V257 HydrophobicContact CD1-CG1 4.03Å; I217-V257 WeakPolarHBondContact CD1-O 3.46Å; Y244-V257 HydrophobicContact CD1-CG1 4.19Å; Y244-V257 HydrophobicContact CD1-CG2 3.96Å; Y244-V257 HydrophobicContact CD2-CG1 3.62Å; Y244-V257 HydrophobicContact CE1-CG1 4.46Å; Y244-V257 HydrophobicContact CE1-CG2 4.26Å; Y244-V257 HydrophobicContact CE2-CG1 3.92Å; Y244-V257 HydrophobicContact CG-CG1 3.79Å; Y244-V257 HydrophobicContact CG-CG2 4.29Å; F246-V257 HydrophobicContact CE1-CB 4.4Å; F246-V257 HydrophobicContact CE1-CG1 4.16Å; F246-V257 HydrophobicContact CZ-CB 4.38Å; F246-V257 HydrophobicContact CZ-CG1 3.66Å; L249-V257 HydrophobicContact CD1-CG2 4.28Å; E253-V257 WeakPolarHBondContact O-CG2 3.38Å; E253-V257 PolarHBondContact O-N 3.34Å; A254-V257 PolarHBondContact O-N 3.12Å; A255-V257 PolarHBondContact O-N 3.36Å; V257-K260 PolarHBondContact O-N 2.96Å; V257-S261 WeakPolarHBondContact O-CB 3.3Å; V257-S261 PolarHBondContact O-N 2.86Å; V257-S261 VanDerWaalsContact O-N 3.14Å; V257-S261 PolarHBondContact O-OG 3.16Å; V257-P275 HydrophobicContact CG1-CG 4.39Å
258	L	94.8	Very high	92.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-43.5	177.4	-67.6	-176.5	0	0	0	112.1	A254 A255 K260 S261 I262 L272 P275 I278 I290 L293 I297	A254-L258 PolarHBondContact O-N 3.21Å; A254-L258 VanDerWaalsContact O-N 3.08Å; A255-L258 PolarHBondContact O-N 3.28Å; L258-K260 PolarHBondContact O-N 2.72Å; L258-S261 CarbonylContact O-C 3.53Å; L258-S261 WeakPolarHBondContact O-CA 3.36Å; L258-S261 WeakPolarHBondContact O-CB 3.4Å; L258-S261 PolarHBondContact O-N 3.3Å; L258-I262 PolarHBondContact O-N 2.9Å; L258-L272 HydrophobicContact CD2-CD2 4.44Å; L258-L272 WeakPolarHBondContact O-CD1 3.28Å; L258-P275 HydrophobicContact CD2-CG 3.95Å; L258-I278 HydrophobicContact CD1-CD1 3.74Å; L258-I278 HydrophobicContact CD2-CD1 4.1Å; L258-I278 HydrophobicContact CD2-CG2 4.33Å; L258-I278 HydrophobicContact CG-CD1 4.2Å; L258-I290 HydrophobicContact CD1-CG1 4.16Å; L258-I290 HydrophobicContact CD2-CG1 4.49Å; L258-L293 HydrophobicContact CD1-CB 4.02Å; L258-L293 HydrophobicContact CD1-CD1 3.59Å; L258-L293 HydrophobicContact CD1-CG 4.47Å; L258-L293 HydrophobicContact CG-CD1 4.43Å; L258-I297 HydrophobicContact CB-CD1 3.68Å; L258-I297 HydrophobicContact CB-CG1 4.24Å; L258-I297 HydrophobicContact CD1-CD1 3.71Å; L258-I297 HydrophobicContact CG-CD1 4.38Å
259	Y	94.8	Very high	92.3	Very high	37 Å²	37	41.3 Å²	41.3	15%	0.145	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-46	177	175.9	-98.9	0	0	0	112.2	A255 M256 S261 I262 L300 I301 R304	A255-Y259 VanDerWaalsContact O-CB 3.24Å; A255-Y259 WeakPolarHBondContact O-CB 3.41Å; A255-Y259 PolarHBondContact O-N 3.42Å; M256-Y259 HydrophobicContact SD-CD1 4.28Å; Y259-S261 PolarHBondContact O-N 3.4Å; Y259-I262 HydrophobicContact CD2-CD1 4.03Å; Y259-I262 WeakPolarHBondContact O-CB 3.15Å; Y259-I262 WeakPolarHBondContact O-CG1 3.15Å; Y259-I262 PolarHBondContact O-N 2.85Å; Y259-L300 HydrophobicContact CD1-CB 4.41Å; Y259-L300 HydrophobicContact CD1-CD1 4.5Å; Y259-L300 HydrophobicContact CD2-CB 3.57Å; Y259-L300 HydrophobicContact CD2-CD1 4.43Å; Y259-L300 HydrophobicContact CE2-CB 3.82Å; Y259-L300 HydrophobicContact CG-CB 3.89Å; Y259-L300 HydrophobicContact CG-CD1 3.99Å; Y259-I301 HydrophobicContact CD2-CG1 4.01Å; Y259-I301 HydrophobicContact CE2-CB 4.43Å; Y259-I301 HydrophobicContact CE2-CG1 3.69Å; Y259-R304 WeakPolarHBondContact OH-CB 3.48Å; Y259-R304 WeakPolarHBondContact OH-CD 3.14Å
260	K	93.4	Very high	92.5	Very high	85 Å²	85	41.3 Å²	41.3	37%	0.37	20%	0.201	S	C	.	.	H	α-helix	trans	-66.7	-15.5	173.5	-73.4	-179.3	179.8	-171.3	0	113.5	L215 D216 I217 M256 V257 L258	L215-K260 PolarHBondContact O-NZ 3.33Å; D216-K260 IonicContact OD1-NZ 3.22Å; I217-K260 HydrophobicContact CB-CB 4.4Å; I217-K260 HydrophobicContact CB-CD 4.29Å; I217-K260 HydrophobicContact CD1-CB 3.59Å; I217-K260 HydrophobicContact CD1-CD 4.39Å; I217-K260 HydrophobicContact CG1-CB 3.95Å; I217-K260 HydrophobicContact CG1-CD 3.87Å; M256-K260 HydrophobicContact CG-CD 4.43Å; M256-K260 WeakPolarHBondContact O-CB 3.46Å; M256-K260 WeakPolarHBondContact O-CG 3.44Å; M256-K260 PolarHBondContact O-N 2.9Å; M256-K260 HydrophobicContact SD-CG 4.35Å; V257-K260 PolarHBondContact O-N 2.96Å; L258-K260 PolarHBondContact O-N 2.72Å
261	S	94.2	Very high	92.7	Very high	21 Å²	21	38.4 Å²	38.4	15%	0.147	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	1.8	178.6	-53.6	0	0	0	0	113.7	V257 L258 Y259 I263 N273	V257-S261 WeakPolarHBondContact O-CB 3.3Å; V257-S261 PolarHBondContact O-N 2.86Å; V257-S261 VanDerWaalsContact O-N 3.14Å; V257-S261 PolarHBondContact O-OG 3.16Å; L258-S261 CarbonylContact O-C 3.53Å; L258-S261 WeakPolarHBondContact O-CA 3.36Å; L258-S261 WeakPolarHBondContact O-CB 3.4Å; L258-S261 PolarHBondContact O-N 3.3Å; Y259-S261 PolarHBondContact O-N 3.4Å; S261-I263 PolarHBondContact O-N 3.42Å; S261-N273 WeakPolarHBondContact CB-O 3.46Å; S261-N273 WeakPolarHBondContact O-CB 3.09Å; S261-N273 PolarHBondContact O-N 3.18Å
262	I	95.5	Very high	92.9	Very high	33 Å²	33	35.2 Å²	35.2	17%	0.169	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	128.6	173.8	-65	171.8	0	0	0	109.7	L258 Y259 I265 I270 L272 I297 I301	L258-I262 PolarHBondContact O-N 2.9Å; Y259-I262 HydrophobicContact CD2-CD1 4.03Å; Y259-I262 WeakPolarHBondContact O-CB 3.15Å; Y259-I262 WeakPolarHBondContact O-CG1 3.15Å; Y259-I262 PolarHBondContact O-N 2.85Å; I262-I265 HydrophobicContact CD1-CD1 4.44Å; I262-I265 HydrophobicContact CG2-CD1 4.22Å; I262-I265 HydrophobicContact CG2-CG1 3.63Å; I262-I270 HydrophobicContact CD1-CG2 4.28Å; I262-I270 HydrophobicContact CG1-CG2 4.19Å; I262-I270 HydrophobicContact CG2-CG2 3.75Å; I262-L272 HydrophobicContact CG1-CD1 4.11Å; I262-I297 HydrophobicContact CD1-CG2 4.05Å; I262-I301 HydrophobicContact CD1-CD1 4.09Å; I262-I301 HydrophobicContact CD1-CG1 4.35Å
263	I	93.6	Very high	93.2	Very high	71 Å²	71	32.2 Å²	32.2	36%	0.364	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-48.7	178.3	-57.3	156.9	0	0	0	109.9	S261 A271 N273 I331 A573	S261-I263 PolarHBondContact O-N 3.42Å; I263-A271 HydrophobicContact CB-CB 4.27Å; I263-A271 WeakPolarHBondContact CB-O 3.27Å; I263-A271 PolarHBondContact N-O 3.44Å; I263-N273 HydrophobicContact CD1-CB 3.85Å; I263-N273 HydrophobicContact CG1-CB 3.85Å; I263-I331 HydrophobicContact CD1-CD1 3.75Å; I263-A573 HydrophobicContact CD1-CB 3.91Å
264	E	91.8	Very high	93.4	Very high	75 Å²	75	31 Å²	31	35%	0.35	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	140.1	-173.5	-164.9	-173.4	173	0	0	110.2	R266 I270 A271	E264-R266 HydrophobicContact CG-CG 4.29Å; E264-R266 WeakPolarHBondContact OE1-CG 3.22Å; E264-R266 IonicContact OE1-CZ 2.78Å; E264-R266 IonicContact OE1-NE 2.84Å; E264-R266 PolarHBondContact OE1-NE 3.02Å; E264-R266 IonicContact OE1-NH2 3.06Å; E264-R266 PolarHBondContact OE1-NH2 2.8Å; E264-R266 IonicContact OE2-CZ 2.94Å; E264-R266 IonicContact OE2-NE 2.75Å; E264-R266 PolarHBondContact OE2-NE 2.78Å; E264-R266 IonicContact OE2-NH2 2.75Å; E264-R266 PolarHBondContact OE2-NH2 2.91Å; E264-I270 WeakPolarHBondContact O-CA 3.44Å; E264-A271 HydrophobicContact CB-CB 4.12Å; E264-A271 PolarHBondContact N-O 2.89Å; E264-A271 PolarHBondContact O-N 2.84Å
265	I	90.7	Very high	93.5	Very high	75 Å²	75	31.8 Å²	31.8	39%	0.385	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.3	170	-59.5	178.2	0	0	0	107.2	I262 I270 I301	I262-I265 HydrophobicContact CD1-CD1 4.44Å; I262-I265 HydrophobicContact CG2-CD1 4.22Å; I262-I265 HydrophobicContact CG2-CG1 3.63Å; I265-I270 HydrophobicContact CG1-CG1 4.37Å; I265-I270 HydrophobicContact CG1-CG2 4.35Å; I265-I270 HydrophobicContact CG2-CG1 4.23Å; I265-I301 HydrophobicContact CD1-CD1 4.11Å; I265-I301 HydrophobicContact CD1-CG1 3.99Å; I265-I301 HydrophobicContact CD1-CG2 4.17Å
266	R	89.1	Confident	93.4	Very high	45 Å²	45	33.8 Å²	33.8	17%	0.17	16%	0.162	C	C	.	.			trans	-100.5	176.4	168.4	-58.3	-168.5	-177.6	169.1	11.5	110.3	E264 N268 V269 R336 I547	E264-R266 HydrophobicContact CG-CG 4.29Å; E264-R266 WeakPolarHBondContact OE1-CG 3.22Å; E264-R266 IonicContact OE1-CZ 2.78Å; E264-R266 IonicContact OE1-NE 2.84Å; E264-R266 PolarHBondContact OE1-NE 3.02Å; E264-R266 IonicContact OE1-NH2 3.06Å; E264-R266 PolarHBondContact OE1-NH2 2.8Å; E264-R266 IonicContact OE2-CZ 2.94Å; E264-R266 IonicContact OE2-NE 2.75Å; E264-R266 PolarHBondContact OE2-NE 2.78Å; E264-R266 IonicContact OE2-NH2 2.75Å; E264-R266 PolarHBondContact OE2-NH2 2.91Å; R266-N268 VanDerWaalsContact C-N 3.34Å; R266-N268 PolarHBondContact O-N 3.48Å; R266-V269 WeakPolarHBondContact CA-O 3.47Å; R266-V269 WeakPolarHBondContact CB-O 3.38Å; R266-V269 PolarHBondContact N-O 2.99Å; R266-R336 WeakPolarHBondContact O-CD 3.43Å; R266-R336 PolarHBondContact O-NH1 3.23Å; R266-I547 WeakPolarHBondContact CD-O 3.44Å; R266-I547 PolarHBondContact NH1-O 3.33Å
267	E	85.5	Confident	93.4	Very high	88 Å²	88	31.5 Å²	31.5	41%	0.411	15%	0.153	S	C	.	.	S	Bend	trans	-52.9	-48.3	176.7	-171.9	174	172.4	0	0	112.8	R336 F550	E267-R336 WeakPolarHBondContact O-CD 3.43Å; E267-R336 PolarHBondContact O-NH1 2.7Å; E267-R336 VanDerWaalsContact O-NH1 3.12Å; E267-F550 WeakPolarHBondContact OE2-CD2 3.2Å
268	N	90.5	Very high	93.4	Very high	29 Å²	29	31.5 Å²	31.5	16%	0.155	15%	0.153	C	C	.	.	S	Bend	trans	-111.6	-15.2	-172.3	-74.2	-45.8	0	0	0	115.1	R266 R336 N337 S340 F546	R266-N268 VanDerWaalsContact C-N 3.34Å; R266-N268 PolarHBondContact O-N 3.48Å; N268-R336 PolarHBondContact O-N 3.14Å; N268-N337 PolarHBondContact OD1-ND2 3.34Å; N268-S340 WeakPolarHBondContact CB-OG 3.21Å; N268-F546 HydrophobicContact CB-CD2 4.21Å; N268-F546 VanDerWaalsContact CB-O 3.28Å; N268-F546 WeakPolarHBondContact CB-O 3.45Å; N268-F546 PolarHBondContact ND2-O 3.3Å
269	V	92.6	Very high	93.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.9	-172.4	-172.8	0	0	0	0	110.7	R266 L333 I334 L344 F546 I547	R266-V269 WeakPolarHBondContact CA-O 3.47Å; R266-V269 WeakPolarHBondContact CB-O 3.38Å; R266-V269 PolarHBondContact N-O 2.99Å; V269-L333 HydrophobicContact CG1-CB 4.22Å; V269-L333 HydrophobicContact CG1-CD2 4.06Å; V269-L333 HydrophobicContact CG1-CG 4.49Å; V269-I334 CarbonylContact C-O 3.45Å; V269-I334 WeakPolarHBondContact CA-O 3.37Å; V269-L344 HydrophobicContact CG1-CD1 4.28Å; V269-L344 HydrophobicContact CG2-CD1 3.9Å; V269-F546 HydrophobicContact CG2-CE2 4.37Å; V269-I547 HydrophobicContact CG2-CG1 4.16Å; V269-I547 HydrophobicContact CG2-CG2 4.35Å
270	I	94.5	Very high	93.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132	170.2	-60.3	167.8	0	0	0	108.2	I262 E264 I265 I301 L318 I334 R336	I262-I270 HydrophobicContact CD1-CG2 4.28Å; I262-I270 HydrophobicContact CG1-CG2 4.19Å; I262-I270 HydrophobicContact CG2-CG2 3.75Å; E264-I270 WeakPolarHBondContact O-CA 3.44Å; I265-I270 HydrophobicContact CG1-CG1 4.37Å; I265-I270 HydrophobicContact CG1-CG2 4.35Å; I265-I270 HydrophobicContact CG2-CG1 4.23Å; I270-I301 HydrophobicContact CD1-CD1 3.63Å; I270-L318 HydrophobicContact CD1-CD1 4.16Å; I270-L318 HydrophobicContact CD1-CD2 3.96Å; I270-I334 HydrophobicContact CB-CB 4.24Å; I270-I334 PolarHBondContact N-O 3.41Å; I270-I334 PolarHBondContact O-N 2.81Å; I270-R336 HydrophobicContact CD1-CG 3.93Å; I270-R336 HydrophobicContact CG1-CG 3.79Å
271	A	96	Very high	93.2	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.017	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.3	170.6	0	0	0	0	0	109.2	I263 E264 I331 L333 F571	I263-A271 HydrophobicContact CB-CB 4.27Å; I263-A271 WeakPolarHBondContact CB-O 3.27Å; I263-A271 PolarHBondContact N-O 3.44Å; E264-A271 HydrophobicContact CB-CB 4.12Å; E264-A271 PolarHBondContact N-O 2.89Å; E264-A271 PolarHBondContact O-N 2.84Å; A271-I331 HydrophobicContact CB-CD1 3.77Å; A271-L333 HydrophobicContact CB-CD2 4.35Å; A271-F571 HydrophobicContact CB-CD1 3.87Å; A271-F571 HydrophobicContact CB-CE1 4.35Å
272	L	95.9	Very high	93	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.4	-179	170.9	65.6	0	0	0	109.9	L258 I262 K274 I290 I332 I334	L258-L272 HydrophobicContact CD2-CD2 4.44Å; L258-L272 WeakPolarHBondContact O-CD1 3.28Å; I262-L272 HydrophobicContact CG1-CD1 4.11Å; L272-K274 PolarHBondContact O-N 3.06Å; L272-I290 HydrophobicContact CD2-CD1 4.25Å; L272-I290 HydrophobicContact CD2-CG2 4.22Å; L272-I332 HydrophobicContact CB-CG2 3.71Å; L272-I332 HydrophobicContact CD2-CG2 3.78Å; L272-I332 HydrophobicContact CG-CG2 3.85Å; L272-I332 PolarHBondContact N-O 3.2Å; L272-I332 PolarHBondContact O-N 2.74Å; L272-I334 HydrophobicContact CB-CD1 4.17Å; L272-I334 HydrophobicContact CD2-CD1 3.77Å
273	N	96.9	Very high	92.4	Very high	29 Å²	29	29.5 Å²	29.5	16%	0.155	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	92.9	165.6	-169.3	-1.4	0	0	0	108.1	S261 I263 P275 G330 A573 P574	S261-N273 WeakPolarHBondContact CB-O 3.46Å; S261-N273 WeakPolarHBondContact O-CB 3.09Å; S261-N273 PolarHBondContact O-N 3.18Å; I263-N273 HydrophobicContact CD1-CB 3.85Å; I263-N273 HydrophobicContact CG1-CB 3.85Å; N273-P275 VanDerWaalsContact O-CD 3.28Å; N273-P275 WeakPolarHBondContact O-CD 3.46Å; N273-G330 VanDerWaalsContact OD1-CA 3.29Å; N273-G330 WeakPolarHBondContact OD1-CA 3.09Å; N273-G330 PolarHBondContact OD1-N 3.16Å; N273-A573 HydrophobicContact CB-CB 4.32Å; N273-P574 WeakPolarHBondContact ND2-CD 3.37Å; N273-P574 PolarHBondContact ND2-O 3.27Å
274	K	96.4	Very high	91.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	121.1	178.1	173	-177.2	179.6	-55.9	0	109.5	L272 I278 I290 L324 D325 K326 S328 S329 G330 I332	L272-K274 PolarHBondContact O-N 3.06Å; K274-I278 WeakPolarHBondContact CE-O 3.44Å; K274-I278 HydrophobicContact CG-CG2 4.26Å; K274-I278 PolarHBondContact NZ-O 2.9Å; K274-I290 HydrophobicContact CB-CD1 4.33Å; K274-I290 HydrophobicContact CD-CD1 3.96Å; K274-I290 HydrophobicContact CG-CD1 3.94Å; K274-L324 HydrophobicContact CB-CD1 4.26Å; K274-L324 HydrophobicContact CD-CB 3.69Å; K274-L324 HydrophobicContact CD-CD1 4Å; K274-L324 HydrophobicContact CD-CG 4.44Å; K274-D325 VanDerWaalsContact CE-O 3.29Å; K274-D325 WeakPolarHBondContact CE-O 3.22Å; K274-D325 PolarHBondContact NZ-O 3.31Å; K274-K326 PolarHBondContact NZ-O 3.13Å; K274-S328 PolarHBondContact NZ-O 2.85Å; K274-S329 CarbonylContact O-C 3.6Å; K274-S329 VanDerWaalsContact O-CA 3.23Å; K274-S329 WeakPolarHBondContact O-CA 3.44Å; K274-S329 WeakPolarHBondContact O-CB 3.4Å; K274-G330 WeakPolarHBondContact CB-O 3.46Å; K274-G330 PolarHBondContact N-O 3.33Å; K274-G330 PolarHBondContact O-N 3.16Å; K274-I332 HydrophobicContact CB-CG2 4.04Å
275	P	95.2	Very high	90.9	Very high	16 Å²	16	34.6 Å²	34.6	10%	0.104	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-70.5	156.9	169.9	29	-32.6	0	0	0	111.1	Y244 F246 V257 L258 N273 I278	Y244-P275 HydrophobicContact CD2-CB 4.17Å; F246-P275 HydrophobicContact CE2-CB 4.23Å; F246-P275 HydrophobicContact CE2-CG 3.78Å; F246-P275 HydrophobicContact CZ-CB 4.42Å; F246-P275 HydrophobicContact CZ-CG 3.57Å; V257-P275 HydrophobicContact CG1-CG 4.39Å; L258-P275 HydrophobicContact CD2-CG 3.95Å; N273-P275 VanDerWaalsContact O-CD 3.28Å; N273-P275 WeakPolarHBondContact O-CD 3.46Å; P275-I278 HydrophobicContact CG-CG2 4.1Å
276	R	93.6	Very high	90.5	Very high	43 Å²	43	32.2 Å²	32.2	16%	0.162	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	150.2	164.9	171.7	163.6	-178.9	-92.1	-16.4	109.6	D327	R276-D327 WeakPolarHBondContact CD-O 3.44Å; R276-D327 WeakPolarHBondContact CG-O 3.46Å; R276-D327 IonicContact CZ-OD1 2.83Å; R276-D327 VanDerWaalsContact CZ-OD1 3.24Å; R276-D327 IonicContact NE-OD1 2.97Å; R276-D327 PolarHBondContact NE-OD1 3.11Å; R276-D327 IonicContact NH2-OD1 3.2Å; R276-D327 PolarHBondContact NH2-OD1 2.9Å
277	G	92.1	Very high	90.5	Very high	7 Å²	7	34.4 Å²	34.4	7%	0.072	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.4	-24.7	169.8	0	0	0	0	0	114.5	K326	G277-K326 PolarHBondContact N-O 3.27Å; G277-K326 WeakPolarHBondContact O-CE 3.3Å; G277-K326 WeakPolarHBondContact O-CG 3.11Å
278	I	94.3	Very high	90.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	19%	0.191	C	C	.	.			trans	-98.9	141	176.8	-164.6	177.8	0	0	0	112.1	F246 L258 K274 P275 I290 L293 K326	F246-I278 HydrophobicContact CD1-CB 4.1Å; F246-I278 HydrophobicContact CD1-CD1 4.01Å; F246-I278 HydrophobicContact CD1-CG1 4.2Å; F246-I278 HydrophobicContact CD2-CB 3.75Å; F246-I278 HydrophobicContact CE1-CB 4.14Å; F246-I278 HydrophobicContact CE1-CD1 3.88Å; F246-I278 HydrophobicContact CE1-CG1 4.38Å; F246-I278 HydrophobicContact CE2-CB 3.79Å; F246-I278 HydrophobicContact CE2-CG2 4.12Å; F246-I278 HydrophobicContact CG-CB 3.91Å; F246-I278 HydrophobicContact CG-CG1 4.35Å; F246-I278 HydrophobicContact CZ-CB 3.99Å; F246-I278 HydrophobicContact CZ-CD1 4.39Å; F246-I278 HydrophobicContact CZ-CG2 4.19Å; L258-I278 HydrophobicContact CD1-CD1 3.74Å; L258-I278 HydrophobicContact CD2-CD1 4.1Å; L258-I278 HydrophobicContact CD2-CG2 4.33Å; L258-I278 HydrophobicContact CG-CD1 4.2Å; K274-I278 WeakPolarHBondContact CE-O 3.44Å; K274-I278 HydrophobicContact CG-CG2 4.26Å; K274-I278 PolarHBondContact NZ-O 2.9Å; P275-I278 HydrophobicContact CG-CG2 4.1Å; I278-I290 HydrophobicContact CD1-CG1 4.12Å; I278-I290 HydrophobicContact CG2-CG1 4.36Å; I278-L293 HydrophobicContact CD1-CD1 3.82Å; I278-K326 WeakPolarHBondContact O-CA 3.24Å
279	A	94.4	Very high	91.1	Very high	10 Å²	10	29.6 Å²	29.6	8%	0.083	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-80	152.4	172.3	0	0	0	0	0	111.7	Q281 C286 N289 I290 K326	A279-Q281 WeakPolarHBondContact CB-O 3.19Å; A279-C286 HydrophobicContact CB-CB 4.17Å; A279-N289 HydrophobicContact CB-CB 4.15Å; A279-N289 CarbonylContact O-C 3.46Å; A279-N289 WeakPolarHBondContact O-CA 3.46Å; A279-N289 WeakPolarHBondContact O-CB 3.38Å; A279-I290 PolarHBondContact O-N 3.47Å; A279-K326 HydrophobicContact CB-CB 4.41Å; A279-K326 HydrophobicContact CB-CG 4.47Å
280	S	93.8	Very high	91.2	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.021	18%	0.183	C	C	.	.	S	Bend	trans	-73.8	-35.6	175.4	-57.7	0	0	0	0	112.5	I290 V291 L324	S280-I290 PolarHBondContact O-N 3.09Å; S280-V291 WeakPolarHBondContact O-CG2 3.47Å; S280-V291 PolarHBondContact O-N 3.34Å; S280-L324 PolarHBondContact OG-N 2.97Å; S280-L324 PolarHBondContact OG-O 2.88Å
281	Q	90.7	Very high	91.2	Very high	21 Å²	21	31.5 Å²	31.5	10%	0.098	20%	0.196	C	C	.	.	S	Bend	trans	-128.9	166	-177.9	-71	155.1	-59	0	0	110.2	D33 A279 N289 V291	D33-Q281 PolarHBondContact OD1-NE2 3.49Å; D33-Q281 PolarHBondContact OD1-OE1 2.74Å; A279-Q281 WeakPolarHBondContact CB-O 3.19Å; Q281-N289 WeakPolarHBondContact O-CB 3.31Å; Q281-V291 HydrophobicContact CG-CG2 4.18Å
282	P	90.2	Very high	91.1	Very high	56 Å²	56	34.9 Å²	34.9	36%	0.364	21%	0.213	S	C	.	.			trans	-57	154.6	173.9	-24.9	34.9	0	0	0	113.6	N289	P282-N289 WeakPolarHBondContact CD-OD1 3.38Å
283	G	83.3	Confident	91.1	Very high	44 Å²	44	34.9 Å²	34.9	45%	0.454	21%	0.213	S	C	.	.			trans	-175.7	160	177.2	0	0	0	0	0	111.2	D285 C286	G283-D285 VanDerWaalsContact C-N 3.25Å; G283-D285 PolarHBondContact O-N 3.28Å; G283-D285 VanDerWaalsContact O-N 3.08Å; G283-C286 PolarHBondContact O-N 2.76Å
284	A	77.9	Confident	90.9	Very high	107 Å²	107	33.8 Å²	33.8	88%	0.884	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.7	-168.4	0	0	0	0	0	115
285	D	75.7	Confident	90.7	Very high	146 Å²	146	37.4 Å²	37.4	78%	0.781	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	31.5	-174.7	-52.1	-43.3	0	0	0	113.4	G283 K326	G283-D285 VanDerWaalsContact C-N 3.25Å; G283-D285 PolarHBondContact O-N 3.28Å; G283-D285 VanDerWaalsContact O-N 3.08Å; D285-K326 PolarHBondContact O-NZ 2.95Å; D285-K326 VanDerWaalsContact O-NZ 3.12Å
286	C	81.9	Confident	90.6	Very high	26 Å²	26	40.9 Å²	40.9	18%	0.176	24%	0.242	C	C	.	.			trans	-131.6	103	-176.2	-63.8	0	0	0	0	111.7	A279 G283 H288	A279-C286 HydrophobicContact CB-CB 4.17Å; G283-C286 PolarHBondContact O-N 2.76Å; C286-H288 VanDerWaalsContact C-N 3.32Å; C286-H288 PolarHBondContact O-N 3.02Å
287	K	89.4	Confident	90.5	Very high	90 Å²	90	39 Å²	39	39%	0.391	24%	0.235	S	C	.	.	S	Bend	trans	-61.3	-41.2	174.7	-176.2	-169.8	-175.2	-172	0	112.4	D247 L249	D247-K287 WeakPolarHBondContact O-CD 3.4Å; D247-K287 PolarHBondContact O-NZ 2.92Å; L249-K287 PolarHBondContact O-NZ 2.63Å
288	H	93	Very high	90.4	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.065	24%	0.239	C	C	.	.			trans	-125.5	143.2	177.6	-62.1	-47.3	0	0	0	110.4	F246 L249 T250 A254 C286 L293	F246-H288 PolarHBondContact O-CD2 2.83Å; L249-H288 PolarHBondContact O-NE2 3.48Å; T250-H288 PolarHBondContact O-NE2 3.06Å; A254-H288 HydrophobicContact CB-CB 4.46Å; C286-H288 VanDerWaalsContact C-N 3.32Å; C286-H288 PolarHBondContact O-N 3.02Å; H288-L293 HydrophobicContact CB-CD1 4.23Å
289	N	94.6	Very high	90.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.011	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-141.7	165.2	171.1	64	83.2	0	0	0	109.8	A279 Q281 P282 V291 D292 L293	A279-N289 HydrophobicContact CB-CB 4.15Å; A279-N289 CarbonylContact O-C 3.46Å; A279-N289 WeakPolarHBondContact O-CA 3.46Å; A279-N289 WeakPolarHBondContact O-CB 3.38Å; Q281-N289 WeakPolarHBondContact O-CB 3.31Å; P282-N289 WeakPolarHBondContact CD-OD1 3.38Å; N289-V291 WeakPolarHBondContact OD1-CB 3.05Å; N289-V291 PolarHBondContact OD1-N 3.26Å; N289-D292 VanDerWaalsContact ND2-CG 3.31Å; N289-D292 PolarHBondContact ND2-OD2 3.06Å; N289-D292 PolarHBondContact OD1-N 2.81Å; N289-L293 WeakPolarHBondContact O-CG 3.32Å; N289-L293 PolarHBondContact O-N 2.88Å
290	I	95.7	Very high	90	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-46.4	-174.8	-63.3	174.3	0	0	0	111	L258 L272 K274 I278 A279 S280 D292 L293 L294 T320 I332 I334	L258-I290 HydrophobicContact CD1-CG1 4.16Å; L258-I290 HydrophobicContact CD2-CG1 4.49Å; L272-I290 HydrophobicContact CD2-CD1 4.25Å; L272-I290 HydrophobicContact CD2-CG2 4.22Å; K274-I290 HydrophobicContact CB-CD1 4.33Å; K274-I290 HydrophobicContact CD-CD1 3.96Å; K274-I290 HydrophobicContact CG-CD1 3.94Å; I278-I290 HydrophobicContact CD1-CG1 4.12Å; I278-I290 HydrophobicContact CG2-CG1 4.36Å; A279-I290 PolarHBondContact O-N 3.47Å; S280-I290 PolarHBondContact O-N 3.09Å; I290-D292 PolarHBondContact O-N 2.95Å; I290-L293 PolarHBondContact O-N 3.11Å; I290-L294 HydrophobicContact CG2-CD2 3.92Å; I290-L294 WeakPolarHBondContact O-CG 3.33Å; I290-L294 PolarHBondContact O-N 2.89Å; I290-L294 VanDerWaalsContact O-N 3.11Å; I290-T320 HydrophobicContact CG2-CG2 4.05Å; I290-I332 HydrophobicContact CD1-CD1 4.07Å; I290-I332 HydrophobicContact CD1-CG2 4.36Å; I290-I334 HydrophobicContact CG2-CD1 4.36Å
291	V	94.7	Very high	89.7	Confident	43 Å²	43	43.1 Å²	43.1	26%	0.261	26%	0.256	S	S	.	.	H	α-helix	trans	-53.5	-52.9	-178.8	169.2	0	0	0	0	111.9	S280 Q281 N289 L293 L294 T320	S280-V291 WeakPolarHBondContact O-CG2 3.47Å; S280-V291 PolarHBondContact O-N 3.34Å; Q281-V291 HydrophobicContact CG-CG2 4.18Å; N289-V291 WeakPolarHBondContact OD1-CB 3.05Å; N289-V291 PolarHBondContact OD1-N 3.26Å; V291-L293 PolarHBondContact O-N 3.25Å; V291-L294 WeakPolarHBondContact O-CB 3.47Å; V291-L294 WeakPolarHBondContact O-CG 3.35Å; V291-L294 PolarHBondContact O-N 3.32Å; V291-L294 VanDerWaalsContact O-N 3.1Å; V291-T320 HydrophobicContact CG2-CG2 3.83Å; V291-T320 WeakPolarHBondContact CG2-OG1 3.3Å
292	D	93.5	Very high	89.4	Confident	73 Å²	73	46 Å²	46	39%	0.39	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-25	-177.1	-65.3	-13	0	0	0	113.2	N289 I290 P295	N289-D292 VanDerWaalsContact ND2-CG 3.31Å; N289-D292 PolarHBondContact ND2-OD2 3.06Å; N289-D292 PolarHBondContact OD1-N 2.81Å; I290-D292 PolarHBondContact O-N 2.95Å; D292-P295 WeakPolarHBondContact O-CD 3.22Å
293	L	94.8	Very high	89.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-85.7	-12	176.7	-64.9	177.5	0	0	0	113.7	E251 A254 A255 L258 I278 H288 N289 I290 V291 R296 I297	E251-L293 HydrophobicContact CG-CD2 3.44Å; E251-L293 VanDerWaalsContact CG-CD2 3.44Å; A254-L293 HydrophobicContact CB-CD1 3.71Å; A254-L293 HydrophobicContact CB-CD2 4.37Å; A255-L293 HydrophobicContact CB-CD2 4.32Å; L258-L293 HydrophobicContact CD1-CB 4.02Å; L258-L293 HydrophobicContact CD1-CD1 3.59Å; L258-L293 HydrophobicContact CD1-CG 4.47Å; L258-L293 HydrophobicContact CG-CD1 4.43Å; I278-L293 HydrophobicContact CD1-CD1 3.82Å; H288-L293 HydrophobicContact CB-CD1 4.23Å; N289-L293 WeakPolarHBondContact O-CG 3.32Å; N289-L293 PolarHBondContact O-N 2.88Å; I290-L293 PolarHBondContact O-N 3.11Å; V291-L293 PolarHBondContact O-N 3.25Å; L293-R296 PolarHBondContact O-N 3.04Å; L293-I297 HydrophobicContact CB-CD1 4.34Å; L293-I297 WeakPolarHBondContact O-CG1 3.35Å; L293-I297 PolarHBondContact O-N 3.25Å
294	L	94.5	Very high	88.9	Confident	6 Å²	6	56 Å²	56	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-54.2	-42.7	-179.2	-66.4	-177.1	0	0	0	113.6	I290 V291 R296 I297 E298 L318 T320 I334	I290-L294 HydrophobicContact CG2-CD2 3.92Å; I290-L294 WeakPolarHBondContact O-CG 3.33Å; I290-L294 PolarHBondContact O-N 2.89Å; I290-L294 VanDerWaalsContact O-N 3.11Å; V291-L294 WeakPolarHBondContact O-CB 3.47Å; V291-L294 WeakPolarHBondContact O-CG 3.35Å; V291-L294 PolarHBondContact O-N 3.32Å; V291-L294 VanDerWaalsContact O-N 3.1Å; L294-R296 VanDerWaalsContact C-N 3.31Å; L294-R296 PolarHBondContact O-N 3.42Å; L294-I297 HydrophobicContact CD2-CD1 4.3Å; L294-I297 PolarHBondContact O-N 3.34Å; L294-E298 PolarHBondContact O-N 3.12Å; L294-L318 HydrophobicContact CB-CB 3.96Å; L294-L318 HydrophobicContact CD1-CB 4.23Å; L294-L318 WeakPolarHBondContact CD1-O 3.32Å; L294-L318 HydrophobicContact CD2-CB 4.46Å; L294-L318 HydrophobicContact CG-CB 4.43Å; L294-T320 HydrophobicContact CD1-CG2 4.36Å; L294-I334 HydrophobicContact CD2-CD1 3.69Å; L294-I334 HydrophobicContact CD2-CG1 4.17Å; L294-I334 HydrophobicContact CD2-CG2 4.1Å
295	P	92	Very high	88.6	Confident	76 Å²	76	56.4 Å²	56.4	49%	0.494	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-34.2	177.2	-23.7	35.4	0	0	0	113.6	D292 S299	D292-P295 WeakPolarHBondContact O-CD 3.22Å; P295-S299 PolarHBondContact O-N 3.07Å; P295-S299 VanDerWaalsContact O-N 3.12Å
296	R	91.8	Very high	87.8	Confident	90 Å²	90	54.8 Å²	54.8	34%	0.34	26%	0.261	S	S	.	.	H	α-helix	trans	-71.5	-43.3	175.7	-75.9	77.4	-180	167.9	-1.7	110.4	E251 A255 L293 L294 E298 S299 L300	E251-R296 IonicContact OE1-CZ 2.65Å; E251-R296 IonicContact OE1-NE 2.7Å; E251-R296 PolarHBondContact OE1-NE 2.77Å; E251-R296 VanDerWaalsContact OE1-NE 3.12Å; E251-R296 IonicContact OE1-NH1 3.12Å; E251-R296 PolarHBondContact OE1-NH1 2.83Å; E251-R296 IonicContact OE1-NH2 3.76Å; E251-R296 PolarHBondContact OE1-NH2 3.31Å; E251-R296 IonicContact OE2-CZ 3.27Å; E251-R296 IonicContact OE2-NE 3.3Å; E251-R296 PolarHBondContact OE2-NE 3.35Å; E251-R296 IonicContact OE2-NH2 3.21Å; E251-R296 PolarHBondContact OE2-NH2 2.91Å; A255-R296 HydrophobicContact CB-CB 3.49Å; A255-R296 VanDerWaalsContact CB-CB 3.49Å; A255-R296 HydrophobicContact CB-CG 4.32Å; L293-R296 PolarHBondContact O-N 3.04Å; L294-R296 VanDerWaalsContact C-N 3.31Å; L294-R296 PolarHBondContact O-N 3.42Å; R296-E298 VanDerWaalsContact C-N 3.3Å; R296-E298 PolarHBondContact O-N 2.66Å; R296-S299 WeakPolarHBondContact O-CB 3.02Å; R296-S299 PolarHBondContact O-N 3.24Å; R296-L300 WeakPolarHBondContact O-CG 3.45Å; R296-L300 PolarHBondContact O-N 3.07Å
297	I	92.3	Very high	86.5	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-42.9	175.1	-65.5	164.8	0	0	0	110.6	L258 I262 L293 L294 S299 L300 I301 L318	L258-I297 HydrophobicContact CB-CD1 3.68Å; L258-I297 HydrophobicContact CB-CG1 4.24Å; L258-I297 HydrophobicContact CD1-CD1 3.71Å; L258-I297 HydrophobicContact CG-CD1 4.38Å; I262-I297 HydrophobicContact CD1-CG2 4.05Å; L293-I297 HydrophobicContact CB-CD1 4.34Å; L293-I297 WeakPolarHBondContact O-CG1 3.35Å; L293-I297 PolarHBondContact O-N 3.25Å; L294-I297 HydrophobicContact CD2-CD1 4.3Å; L294-I297 PolarHBondContact O-N 3.34Å; I297-S299 PolarHBondContact O-N 3.02Å; I297-L300 PolarHBondContact O-N 3.49Å; I297-I301 HydrophobicContact CG2-CD1 3.89Å; I297-I301 HydrophobicContact CG2-CG1 4.45Å; I297-I301 VanDerWaalsContact O-CG1 3.31Å; I297-I301 WeakPolarHBondContact O-CG1 3.24Å; I297-I301 PolarHBondContact O-N 2.93Å; I297-L318 HydrophobicContact CG2-CD1 4.43Å
298	E	90.8	Very high	84.4	Confident	34 Å²	34	60.6 Å²	60.6	16%	0.159	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-44.7	176.4	-157.3	-163.1	163	0	0	111.6	L294 R296 L300 I301 R302 G316 L318	L294-E298 PolarHBondContact O-N 3.12Å; R296-E298 VanDerWaalsContact C-N 3.3Å; R296-E298 PolarHBondContact O-N 2.66Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.47Å; E298-I301 PolarHBondContact O-N 3.48Å; E298-R302 WeakPolarHBondContact O-CG 3.19Å; E298-R302 PolarHBondContact O-N 3.45Å; E298-R302 IonicContact OE1-CZ 3.33Å; E298-R302 VanDerWaalsContact OE1-CZ 3.26Å; E298-R302 IonicContact OE1-NE 2.86Å; E298-R302 PolarHBondContact OE1-NE 3.29Å; E298-R302 IonicContact OE1-NH2 3.06Å; E298-R302 PolarHBondContact OE1-NH2 2.98Å; E298-R302 IonicContact OE2-NH2 2.87Å; E298-G316 VanDerWaalsContact CD-O 3.31Å; E298-G316 PolarHBondContact OE1-N 3.48Å; E298-L318 HydrophobicContact CB-CD1 3.7Å; E298-L318 HydrophobicContact CB-CG 4Å; E298-L318 HydrophobicContact CG-CD1 4Å; E298-L318 HydrophobicContact CG-CD2 4.49Å; E298-L318 HydrophobicContact CG-CG 3.91Å
299	S	88.8	Confident	82	Confident	48 Å²	48	70.3 Å²	70.3	34%	0.336	34%	0.344	S	S	.	.	H	α-helix	trans	-57.7	-43.6	174.3	-169.5	0	0	0	0	112.2	P295 R296 I297 R302 K303	P295-S299 PolarHBondContact O-N 3.07Å; P295-S299 VanDerWaalsContact O-N 3.12Å; R296-S299 WeakPolarHBondContact O-CB 3.02Å; R296-S299 PolarHBondContact O-N 3.24Å; I297-S299 PolarHBondContact O-N 3.02Å; S299-R302 PolarHBondContact O-N 2.95Å; S299-K303 WeakPolarHBondContact O-CB 3.47Å; S299-K303 VanDerWaalsContact O-CG 3.29Å; S299-K303 WeakPolarHBondContact O-CG 3.27Å; S299-K303 PolarHBondContact O-N 3.2Å
300	L	89.8	Confident	79.9	Confident	15 Å²	15	72.8 Å²	72.8	8%	0.079	37%	0.37	C	S	.	.	H	α-helix	trans	-65.9	-37.7	176.8	-67.5	173.2	0	0	0	112.8	A255 M256 Y259 R296 I297 E298 R304	A255-L300 HydrophobicContact CB-CD1 4.34Å; M256-L300 HydrophobicContact CE-CD1 4.05Å; M256-L300 HydrophobicContact CE-CD2 3.76Å; Y259-L300 HydrophobicContact CD1-CB 4.41Å; Y259-L300 HydrophobicContact CD1-CD1 4.5Å; Y259-L300 HydrophobicContact CD2-CB 3.57Å; Y259-L300 HydrophobicContact CD2-CD1 4.43Å; Y259-L300 HydrophobicContact CE2-CB 3.82Å; Y259-L300 HydrophobicContact CG-CB 3.89Å; Y259-L300 HydrophobicContact CG-CD1 3.99Å; R296-L300 WeakPolarHBondContact O-CG 3.45Å; R296-L300 PolarHBondContact O-N 3.07Å; I297-L300 PolarHBondContact O-N 3.49Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.47Å; L300-R304 PolarHBondContact O-N 3.47Å
301	I	89	Confident	77.7	Confident	10 Å²	10	82.1 Å²	82.1	5%	0.051	41%	0.414	C	S	.	.	H	α-helix	trans	-63.6	-47.4	173.6	-67	166	0	0	0	110.4	Y259 I262 I265 I270 I297 E298 R304 N305 L318	Y259-I301 HydrophobicContact CD2-CG1 4.01Å; Y259-I301 HydrophobicContact CE2-CB 4.43Å; Y259-I301 HydrophobicContact CE2-CG1 3.69Å; I262-I301 HydrophobicContact CD1-CD1 4.09Å; I262-I301 HydrophobicContact CD1-CG1 4.35Å; I265-I301 HydrophobicContact CD1-CD1 4.11Å; I265-I301 HydrophobicContact CD1-CG1 3.99Å; I265-I301 HydrophobicContact CD1-CG2 4.17Å; I270-I301 HydrophobicContact CD1-CD1 3.63Å; I297-I301 HydrophobicContact CG2-CD1 3.89Å; I297-I301 HydrophobicContact CG2-CG1 4.45Å; I297-I301 VanDerWaalsContact O-CG1 3.31Å; I297-I301 WeakPolarHBondContact O-CG1 3.24Å; I297-I301 PolarHBondContact O-N 2.93Å; E298-I301 PolarHBondContact O-N 3.48Å; I301-R304 PolarHBondContact O-N 3.35Å; I301-N305 PolarHBondContact O-N 2.84Å; I301-L318 HydrophobicContact CD1-CD1 4.47Å
302	R	84	Confident	75.3	Confident	82 Å²	82	88.7 Å²	88.7	31%	0.309	44%	0.441	S	S	.	.	H	α-helix	trans	-60.1	-48.5	178.2	-69.9	166.9	177	-129.8	9.7	111.9	E298 S299 R304 N305 H306 Y314	E298-R302 WeakPolarHBondContact O-CG 3.19Å; E298-R302 PolarHBondContact O-N 3.45Å; E298-R302 IonicContact OE1-CZ 3.33Å; E298-R302 VanDerWaalsContact OE1-CZ 3.26Å; E298-R302 IonicContact OE1-NE 2.86Å; E298-R302 PolarHBondContact OE1-NE 3.29Å; E298-R302 IonicContact OE1-NH2 3.06Å; E298-R302 PolarHBondContact OE1-NH2 2.98Å; E298-R302 IonicContact OE2-NH2 2.87Å; S299-R302 PolarHBondContact O-N 2.95Å; R302-R304 PolarHBondContact O-N 3.27Å; R302-N305 PolarHBondContact O-N 3.24Å; R302-H306 PolarHBondContact O-CD2 3.22Å; R302-H306 VanDerWaalsContact O-CD2 3.3Å; R302-H306 PolarHBondContact O-N 3.28Å; R302-Y314 PolarHBondContact NH2-O 2.92Å
303	K	84	Confident	73.2	Confident	130 Å²	130	94.3 Å²	94.3	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-56.4	-33.3	178.5	-74.7	171.1	-175.5	175.7	0	113.1	S299	S299-K303 WeakPolarHBondContact O-CB 3.47Å; S299-K303 VanDerWaalsContact O-CG 3.29Å; S299-K303 WeakPolarHBondContact O-CG 3.27Å; S299-K303 PolarHBondContact O-N 3.2Å
304	R	79.1	Confident	71.1	Confident	180 Å²	180	104.4 Å²	104.4	68%	0.679	50%	0.502	S	S	*	.	H	α-helix	trans	-70.9	-39	175.9	179.1	168.2	177.8	164.4	-0.7	112.9	Y259 L300 I301 R302	Y259-R304 WeakPolarHBondContact OH-CB 3.48Å; Y259-R304 WeakPolarHBondContact OH-CD 3.14Å; L300-R304 PolarHBondContact O-N 3.47Å; I301-R304 PolarHBondContact O-N 3.35Å; R302-R304 PolarHBondContact O-N 3.27Å
305	N	70.1	Confident	69.2	Low	116 Å²	116	111.2 Å²	111.2	62%	0.62	54%	0.537	S	S	*	.	H	α-helix	trans	-78.1	-35.7	-177.5	-65.6	-8.2	0	0	0	112.2	I301 R302 H307	I301-N305 PolarHBondContact O-N 2.84Å; R302-N305 PolarHBondContact O-N 3.24Å; N305-H307 PolarHBondContact O-N 2.79Å
306	H	60.5	Low	67.6	Low	111 Å²	111	108.2 Å²	108.2	51%	0.514	52%	0.52	S	S	.	.			trans	-94.2	71.7	-177.3	-65.8	-80.9	0	0	0	112.4	R302 G308	R302-H306 PolarHBondContact O-CD2 3.22Å; R302-H306 VanDerWaalsContact O-CD2 3.3Å; R302-H306 PolarHBondContact O-N 3.28Å; H306-G308 PolarHBondContact O-N 3.07Å
307	H	54.9	Low	67.2	Low	184 Å²	184	110.4 Å²	110.4	85%	0.852	53%	0.534	S	S	*	.	S	Bend	trans	-77.1	8.3	169.5	-110.3	73.8	0	0	0	114.2	N305	N305-H307 PolarHBondContact O-N 2.79Å
308	G	45.1	Very low	67.2	Low	55 Å²	55	111.1 Å²	111.1	57%	0.567	54%	0.537	S	S	*	.	S	Bend	trans	164.1	136.8	171.4	0	0	0	0	0	112.7	H306	H306-G308 PolarHBondContact O-N 3.07Å
309	K	42.2	Very low	67.4	Low	217 Å²	217	110.8 Å²	110.8	94%	0.943	54%	0.539	S	S	*	.			trans	49.7	97.7	163.6	-60.1	178.3	-179.6	177.1	0	116.8
310	G	49.2	Very low	67.6	Low	54 Å²	54	108.9 Å²	108.9	56%	0.557	53%	0.525	S	S	*	.			trans	174.9	115.6	164	0	0	0	0	0	111.7
311	E	49.5	Very low	67.8	Low	196 Å²	196	108.3 Å²	108.3	92%	0.916	52%	0.522	S	S	*	.			trans	-72.5	165.5	-177.2	-68.8	172.1	151.3	0	0	113.1
312	E	45.9	Very low	68.1	Low	181 Å²	181	108.7 Å²	108.7	85%	0.846	52%	0.524	S	S	*	.			trans	-54.8	129.7	-171.6	-53.2	176.6	133.3	0	0	113.5
313	K	49	Very low	68.5	Low	192 Å²	192	109.1 Å²	109.1	84%	0.835	53%	0.526	S	S	*	.			trans	-149.7	9.9	164.8	-130.9	171.8	-175.6	173.4	0	120.7
314	Y	49.8	Very low	69	Low	212 Å²	212	103.3 Å²	103.3	83%	0.831	50%	0.501	S	S	*	.			trans	-150.1	124.9	157.2	-97.5	-77	0	0	0	111	R302 G316	R302-Y314 PolarHBondContact NH2-O 2.92Å; Y314-G316 PolarHBondContact O-N 2.78Å
315	I	54.9	Low	69.7	Low	149 Å²	149	96.4 Å²	96.4	76%	0.764	48%	0.477	S	S	*	.			trans	-89.3	92.4	161	-59.6	173.5	0	0	0	106	E317	I315-E317 PolarHBondContact O-N 2.84Å
316	G	60	Low	70.8	Confident	13 Å²	13	93.8 Å²	93.8	13%	0.134	46%	0.461	C	S	.	.			trans	-85.5	91.9	178.5	0	0	0	0	0	109	E298 Y314 L318 R336	E298-G316 VanDerWaalsContact CD-O 3.31Å; E298-G316 PolarHBondContact OE1-N 3.48Å; Y314-G316 PolarHBondContact O-N 2.78Å; G316-L318 VanDerWaalsContact C-N 3.31Å; G316-L318 PolarHBondContact O-N 2.9Å; G316-R336 CarbonylContact C-O 3.54Å; G316-R336 WeakPolarHBondContact CA-O 3.41Å
317	E	82	Confident	72.3	Confident	136 Å²	136	91.1 Å²	91.1	64%	0.636	45%	0.45	S	S	*	.			trans	-58.3	92.9	178.5	-171.5	173.3	-153.5	0	0	110.2	I315 S319	I315-E317 PolarHBondContact O-N 2.84Å; E317-S319 PolarHBondContact O-N 3.47Å; E317-S319 PolarHBondContact O-OG 3.14Å
318	L	93.4	Very high	74.3	Confident	18 Å²	18	82.5 Å²	82.5	9%	0.094	41%	0.41	C	S	.	.			trans	-61.7	128.1	177.9	-67	-163.7	0	0	0	108	I270 L294 I297 E298 I301 G316 I334 A335 R336	I270-L318 HydrophobicContact CD1-CD1 4.16Å; I270-L318 HydrophobicContact CD1-CD2 3.96Å; L294-L318 HydrophobicContact CB-CB 3.96Å; L294-L318 HydrophobicContact CD1-CB 4.23Å; L294-L318 WeakPolarHBondContact CD1-O 3.32Å; L294-L318 HydrophobicContact CD2-CB 4.46Å; L294-L318 HydrophobicContact CG-CB 4.43Å; I297-L318 HydrophobicContact CG2-CD1 4.43Å; E298-L318 HydrophobicContact CB-CD1 3.7Å; E298-L318 HydrophobicContact CB-CG 4Å; E298-L318 HydrophobicContact CG-CD1 4Å; E298-L318 HydrophobicContact CG-CD2 4.49Å; E298-L318 HydrophobicContact CG-CG 3.91Å; I301-L318 HydrophobicContact CD1-CD1 4.47Å; G316-L318 VanDerWaalsContact C-N 3.31Å; G316-L318 PolarHBondContact O-N 2.9Å; L318-I334 HydrophobicContact CB-CG2 4.02Å; L318-I334 HydrophobicContact CD2-CG2 4.45Å; L318-A335 WeakPolarHBondContact CA-O 3.49Å; L318-R336 HydrophobicContact CD2-CB 4.17Å; L318-R336 HydrophobicContact CD2-CG 3.92Å
319	S	93.6	Very high	76.7	Confident	28 Å²	28	79.9 Å²	79.9	20%	0.196	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.7	-174.7	37.6	0	0	0	0	111.3	E317 I334 A335 A341	E317-S319 PolarHBondContact O-N 3.47Å; E317-S319 PolarHBondContact O-OG 3.14Å; S319-I334 CarbonylContact O-C 3.51Å; S319-I334 WeakPolarHBondContact O-CA 3.39Å; S319-A335 PolarHBondContact N-O 2.94Å; S319-A335 PolarHBondContact O-N 2.78Å; S319-A341 WeakPolarHBondContact OG-CB 3.35Å
320	T	94.1	Very high	79.3	Confident	7 Å²	7	69.6 Å²	69.6	4%	0.043	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.5	168.9	50.8	0	0	0	0	109.5	I32 I290 V291 L294 I332	I32-T320 WeakPolarHBondContact CD1-O 3.4Å; I290-T320 HydrophobicContact CG2-CG2 4.05Å; V291-T320 HydrophobicContact CG2-CG2 3.83Å; V291-T320 WeakPolarHBondContact CG2-OG1 3.3Å; L294-T320 HydrophobicContact CD1-CG2 4.36Å; T320-I332 HydrophobicContact CG2-CD1 4.49Å
321	V	94.2	Very high	81.6	Confident	3 Å²	3	67 Å²	67	2%	0.018	31%	0.312	C	S	.	.	S	Bend	trans	-110.1	-8.5	178.9	-60.2	0	0	0	0	113.4	L333 A335 A341 L344 Q345 F348	V321-L333 HydrophobicContact CG2-CB 3.85Å; V321-A335 HydrophobicContact CG1-CB 3.68Å; V321-A341 HydrophobicContact CG1-CB 4.23Å; V321-L344 HydrophobicContact CB-CB 3.75Å; V321-L344 HydrophobicContact CB-CD1 4.47Å; V321-L344 HydrophobicContact CG1-CB 3.81Å; V321-L344 HydrophobicContact CG1-CD1 4.1Å; V321-L344 HydrophobicContact CG2-CB 3.79Å; V321-L344 HydrophobicContact CG2-CD1 3.93Å; V321-L344 HydrophobicContact CG2-CG 4.41Å; V321-Q345 HydrophobicContact CB-CG 3.94Å; V321-Q345 HydrophobicContact CG1-CG 4.36Å; V321-Q345 WeakPolarHBondContact O-CG 3.46Å; V321-F348 HydrophobicContact CG2-CD2 4.45Å; V321-F348 HydrophobicContact CG2-CE2 3.91Å
322	H	94.1	Very high	83.8	Confident	18 Å²	18	57.7 Å²	57.7	8%	0.083	27%	0.269	C	S	.	.	S	Bend	trans	-154.2	173.5	169.7	71.7	98.6	0	0	0	109.4	L333 F348	H322-L333 PolarHBondContact NE2-N 3.2Å; H322-F348 HydrophobicContact CB-CD1 4.42Å; H322-F348 HydrophobicContact CB-CD2 4.06Å; H322-F348 HydrophobicContact CB-CE1 4.17Å; H322-F348 HydrophobicContact CB-CE2 3.82Å; H322-F348 HydrophobicContact CB-CG 4.38Å; H322-F348 HydrophobicContact CB-CZ 3.88Å; H322-F348 AromaticContact CD2-CE2 3.48Å; H322-F348 VanDerWaalsContact CD2-CE2 3.48Å; H322-F348 WeakPolarHBondContact CD2-CE2 3.43Å; H322-F348 AromaticContact CD2-CZ 3.27Å; H322-F348 WeakPolarHBondContact CD2-CZ 3.37Å; H322-F348 AromaticContact CG-CE2 3.9Å; H322-F348 AromaticContact CG-CZ 3.63Å; H322-F348 AromaticContact NE2-CZ 3.92Å
323	R	93.9	Very high	86.2	Confident	91 Å²	91	49.1 Å²	49.1	34%	0.343	23%	0.228	S	C	.	.			trans	-121.6	151.2	-178.6	64.4	-171.6	-67.1	165.5	9.8	113	D33	D33-R323 IonicContact OD1-CZ 3Å; D33-R323 IonicContact OD1-NH1 3.24Å; D33-R323 PolarHBondContact OD1-NH1 3.03Å; D33-R323 IonicContact OD2-CZ 3.67Å; D33-R323 IonicContact OD2-NH1 3.45Å; D33-R323 PolarHBondContact OD2-NH1 3.47Å
324	L	94.1	Very high	88.5	Confident	9 Å²	9	40 Å²	40	5%	0.047	19%	0.189	C	C	.	.			trans	-123.2	150.7	164.2	-67.9	179.7	0	0	0	110.2	K274 S280 I332 Y357 A516	K274-L324 HydrophobicContact CB-CD1 4.26Å; K274-L324 HydrophobicContact CD-CB 3.69Å; K274-L324 HydrophobicContact CD-CD1 4Å; K274-L324 HydrophobicContact CD-CG 4.44Å; S280-L324 PolarHBondContact OG-N 2.97Å; S280-L324 PolarHBondContact OG-O 2.88Å; L324-I332 HydrophobicContact CD1-CB 4.36Å; L324-Y357 HydrophobicContact CD2-CE1 3.98Å; L324-A516 HydrophobicContact CD1-CB 3.82Å; L324-A516 HydrophobicContact CD2-CB 3.9Å
325	D	92.8	Very high	90.7	Very high	34 Å²	34	30 Å²	30	18%	0.182	15%	0.15	C	C	.	.			trans	-59.9	156.3	177.4	-51.3	-17.3	0	0	0	112.6	K274 D327 S328 H461 R464	K274-D325 VanDerWaalsContact CE-O 3.29Å; K274-D325 WeakPolarHBondContact CE-O 3.22Å; K274-D325 PolarHBondContact NZ-O 3.31Å; D325-D327 VanDerWaalsContact C-N 3.32Å; D325-D327 PolarHBondContact O-N 3.2Å; D325-S328 PolarHBondContact O-N 3.11Å; D325-H461 IonicContact OD1-CD2 3.76Å; D325-H461 PolarHBondContact OD1-CD2 2.76Å; D325-H461 VanDerWaalsContact OD1-CD2 3.27Å; D325-H461 IonicContact OD1-NE2 3.46Å; D325-H461 IonicContact OD2-CD2 2.74Å; D325-H461 PolarHBondContact OD2-CD2 3.38Å; D325-H461 IonicContact OD2-NE2 3.28Å; D325-R464 WeakPolarHBondContact OD2-CD 3.29Å; D325-R464 IonicContact OD2-NH1 3.12Å; D325-R464 PolarHBondContact OD2-NH1 2.94Å
326	K	93.1	Very high	92.5	Very high	62 Å²	62	26.5 Å²	26.5	27%	0.27	13%	0.127	S	C	.	.	S	Bend	trans	-51.5	-48.7	177	-172	175.5	-173.8	176.4	0	112.1	D247 K274 G277 I278 A279 D285	D247-K326 IonicContact OD1-NZ 2.66Å; D247-K326 IonicContact OD2-NZ 3.9Å; K274-K326 PolarHBondContact NZ-O 3.13Å; G277-K326 PolarHBondContact N-O 3.27Å; G277-K326 WeakPolarHBondContact O-CE 3.3Å; G277-K326 WeakPolarHBondContact O-CG 3.11Å; I278-K326 WeakPolarHBondContact O-CA 3.24Å; A279-K326 HydrophobicContact CB-CB 4.41Å; A279-K326 HydrophobicContact CB-CG 4.47Å; D285-K326 PolarHBondContact O-NZ 2.95Å; D285-K326 VanDerWaalsContact O-NZ 3.12Å
327	D	93.3	Very high	93.9	Very high	54 Å²	54	28.1 Å²	28.1	29%	0.289	13%	0.132	S	C	.	.	S	Bend	trans	-81.4	-19.2	-178.7	-78.6	-71	0	0	0	115.2	R276 D325 L512	R276-D327 WeakPolarHBondContact CD-O 3.44Å; R276-D327 WeakPolarHBondContact CG-O 3.46Å; R276-D327 IonicContact CZ-OD1 2.83Å; R276-D327 VanDerWaalsContact CZ-OD1 3.24Å; R276-D327 IonicContact NE-OD1 2.97Å; R276-D327 PolarHBondContact NE-OD1 3.11Å; R276-D327 IonicContact NH2-OD1 3.2Å; R276-D327 PolarHBondContact NH2-OD1 2.9Å; D325-D327 VanDerWaalsContact C-N 3.32Å; D325-D327 PolarHBondContact O-N 3.2Å; D327-L512 HydrophobicContact CB-CB 3.85Å; D327-L512 HydrophobicContact CB-CD2 3.98Å
328	S	95.3	Very high	94.4	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.021	13%	0.133	C	C	.	.			trans	-75.5	145.8	178.1	-64.9	0	0	0	0	110.6	K274 D325	K274-S328 PolarHBondContact NZ-O 2.85Å; D325-S328 PolarHBondContact O-N 3.11Å
329	S	96.3	Very high	94.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	172.8	177.3	61.8	0	0	0	0	111.6	K274 L514 H515 A516	K274-S329 CarbonylContact O-C 3.6Å; K274-S329 VanDerWaalsContact O-CA 3.23Å; K274-S329 WeakPolarHBondContact O-CA 3.44Å; K274-S329 WeakPolarHBondContact O-CB 3.4Å; S329-L514 PolarHBondContact N-O 2.9Å; S329-L514 VanDerWaalsContact N-O 3.14Å; S329-L514 PolarHBondContact OG-O 3.17Å; S329-H515 CarbonylContact O-C 3.5Å; S329-H515 WeakPolarHBondContact O-CA 3.26Å; S329-H515 PolarHBondContact OG-ND1 2.95Å; S329-A516 PolarHBondContact O-N 3.42Å
330	G	96.9	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.5	-161.9	167.7	0	0	0	0	0	115.4	N273 K274 I332 H515 A516	N273-G330 VanDerWaalsContact OD1-CA 3.29Å; N273-G330 WeakPolarHBondContact OD1-CA 3.09Å; N273-G330 PolarHBondContact OD1-N 3.16Å; K274-G330 WeakPolarHBondContact CB-O 3.46Å; K274-G330 PolarHBondContact N-O 3.33Å; K274-G330 PolarHBondContact O-N 3.16Å; G330-I332 PolarHBondContact O-N 3.15Å; G330-H515 WeakPolarHBondContact CA-CE1 3.11Å; G330-A516 CarbonylContact C-O 3.47Å; G330-A516 VanDerWaalsContact CA-O 3.25Å; G330-A516 WeakPolarHBondContact CA-O 3.47Å
331	I	97.1	Very high	94.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	124.1	-167.3	-175.5	63.9	0	0	0	113	I263 A271 L333 A516 L519 F571 A573	I263-I331 HydrophobicContact CD1-CD1 3.75Å; A271-I331 HydrophobicContact CB-CD1 3.77Å; I331-L333 HydrophobicContact CD1-CD2 4.35Å; I331-A516 HydrophobicContact CG2-CB 4.07Å; I331-A516 WeakPolarHBondContact CG2-O 3.44Å; I331-A516 PolarHBondContact N-O 2.97Å; I331-L519 HydrophobicContact CG1-CD1 3.92Å; I331-L519 HydrophobicContact CG1-CG 4.16Å; I331-L519 HydrophobicContact CG2-CD1 4.28Å; I331-L519 HydrophobicContact CG2-CD2 4.41Å; I331-L519 HydrophobicContact CG2-CG 3.79Å; I331-F571 HydrophobicContact CD1-CB 3.99Å; I331-F571 HydrophobicContact CG1-CB 3.98Å; I331-A573 HydrophobicContact CB-CB 4.02Å
332	I	96.7	Very high	94.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.4	165.2	-168.1	171.9	0	0	0	109.6	L272 K274 I290 T320 L324 G330	L272-I332 HydrophobicContact CB-CG2 3.71Å; L272-I332 HydrophobicContact CD2-CG2 3.78Å; L272-I332 HydrophobicContact CG-CG2 3.85Å; L272-I332 PolarHBondContact N-O 3.2Å; L272-I332 PolarHBondContact O-N 2.74Å; K274-I332 HydrophobicContact CB-CG2 4.04Å; I290-I332 HydrophobicContact CD1-CD1 4.07Å; I290-I332 HydrophobicContact CD1-CG2 4.36Å; T320-I332 HydrophobicContact CG2-CD1 4.49Å; L324-I332 HydrophobicContact CD1-CB 4.36Å; G330-I332 PolarHBondContact O-N 3.15Å
333	L	96.4	Very high	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.4	175	-59.2	-179.1	0	0	0	111	V269 A271 V321 H322 I331 L344 L519 F571	V269-L333 HydrophobicContact CG1-CB 4.22Å; V269-L333 HydrophobicContact CG1-CD2 4.06Å; V269-L333 HydrophobicContact CG1-CG 4.49Å; A271-L333 HydrophobicContact CB-CD2 4.35Å; V321-L333 HydrophobicContact CG2-CB 3.85Å; H322-L333 PolarHBondContact NE2-N 3.2Å; I331-L333 HydrophobicContact CD1-CD2 4.35Å; L333-L344 HydrophobicContact CD1-CD2 4.37Å; L333-L519 HydrophobicContact CD1-CD1 3.72Å; L333-L519 HydrophobicContact CD2-CD1 4.18Å; L333-L519 HydrophobicContact CG-CD1 3.55Å; L333-F571 HydrophobicContact CD1-CD2 4.24Å; L333-F571 HydrophobicContact CD1-CE2 4.31Å; L333-F571 HydrophobicContact CD2-CB 4.39Å; L333-F571 HydrophobicContact CD2-CD1 4.25Å; L333-F571 HydrophobicContact CD2-CD2 3.9Å; L333-F571 HydrophobicContact CD2-CE2 4.19Å; L333-F571 HydrophobicContact CD2-CG 3.92Å; L333-F571 HydrophobicContact CD2-CZ 4.48Å
334	I	96.2	Very high	94.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.1	172.6	-64.8	160.3	0	0	0	106.9	V269 I270 L272 I290 L294 L318 S319	V269-I334 CarbonylContact C-O 3.45Å; V269-I334 WeakPolarHBondContact CA-O 3.37Å; I270-I334 HydrophobicContact CB-CB 4.24Å; I270-I334 PolarHBondContact N-O 3.41Å; I270-I334 PolarHBondContact O-N 2.81Å; L272-I334 HydrophobicContact CB-CD1 4.17Å; L272-I334 HydrophobicContact CD2-CD1 3.77Å; I290-I334 HydrophobicContact CG2-CD1 4.36Å; L294-I334 HydrophobicContact CD2-CD1 3.69Å; L294-I334 HydrophobicContact CD2-CG1 4.17Å; L294-I334 HydrophobicContact CD2-CG2 4.1Å; L318-I334 HydrophobicContact CB-CG2 4.02Å; L318-I334 HydrophobicContact CD2-CG2 4.45Å; S319-I334 CarbonylContact O-C 3.51Å; S319-I334 WeakPolarHBondContact O-CA 3.39Å
335	A	95.5	Very high	94.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	144.7	171.1	0	0	0	0	0	110.1	L318 S319 V321 A341 L344	L318-A335 WeakPolarHBondContact CA-O 3.49Å; S319-A335 PolarHBondContact N-O 2.94Å; S319-A335 PolarHBondContact O-N 2.78Å; V321-A335 HydrophobicContact CG1-CB 3.68Å; A335-A341 VanDerWaalsContact CB-CA 3.45Å; A335-A341 HydrophobicContact CB-CB 3.66Å; A335-L344 HydrophobicContact CB-CD1 4.45Å
336	R	92.8	Very high	94.3	Very high	77 Å²	77	34.9 Å²	34.9	29%	0.291	17%	0.165	S	C	.	.	S	Bend	trans	-95.3	-5.2	179.4	-64.1	-173.8	60.4	-159.1	-10.3	114.1	R266 E267 N268 I270 G316 L318	R266-R336 WeakPolarHBondContact O-CD 3.43Å; R266-R336 PolarHBondContact O-NH1 3.23Å; E267-R336 WeakPolarHBondContact O-CD 3.43Å; E267-R336 PolarHBondContact O-NH1 2.7Å; E267-R336 VanDerWaalsContact O-NH1 3.12Å; N268-R336 PolarHBondContact O-N 3.14Å; I270-R336 HydrophobicContact CD1-CG 3.93Å; I270-R336 HydrophobicContact CG1-CG 3.79Å; G316-R336 CarbonylContact C-O 3.54Å; G316-R336 WeakPolarHBondContact CA-O 3.41Å; L318-R336 HydrophobicContact CD2-CB 4.17Å; L318-R336 HydrophobicContact CD2-CG 3.92Å
337	N	90.9	Very high	94.3	Very high	46 Å²	46	31.9 Å²	31.9	25%	0.246	15%	0.153	C	C	.	.	S	Bend	trans	-157.5	162	176.4	57	65.3	0	0	0	110.1	N268 D339 S340 A341	N268-N337 PolarHBondContact OD1-ND2 3.34Å; N337-D339 PolarHBondContact O-N 2.9Å; N337-D339 PolarHBondContact OD1-N 2.94Å; N337-S340 PolarHBondContact ND2-OG 2.81Å; N337-S340 PolarHBondContact O-N 2.92Å; N337-S340 VanDerWaalsContact OD1-CB 3.26Å; N337-S340 WeakPolarHBondContact OD1-CB 3.48Å; N337-S340 PolarHBondContact OD1-N 2.94Å; N337-S340 PolarHBondContact OD1-OG 3.26Å; N337-A341 PolarHBondContact O-N 2.88Å
338	K	92.4	Very high	94.2	Very high	147 Å²	147	29.8 Å²	29.8	64%	0.639	14%	0.141	S	C	*	.	H	α-helix	trans	-61.6	-37.2	-175.5	-173	172.6	-179.1	174.5	0	114.2	A341 L342	K338-A341 WeakPolarHBondContact O-CB 3.35Å; K338-A341 PolarHBondContact O-N 2.96Å; K338-L342 HydrophobicContact CG-CD1 4.28Å; K338-L342 WeakPolarHBondContact O-CG 3.19Å; K338-L342 PolarHBondContact O-N 3.36Å
339	D	92.1	Very high	94	Very high	82 Å²	82	32.2 Å²	32.2	44%	0.439	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-47.6	177.2	172.3	69.1	0	0	0	111.4	N337 A341 L342 K343	N337-D339 PolarHBondContact O-N 2.9Å; N337-D339 PolarHBondContact OD1-N 2.94Å; D339-A341 VanDerWaalsContact C-N 3.27Å; D339-A341 PolarHBondContact O-N 3.39Å; D339-L342 PolarHBondContact O-N 3.33Å; D339-K343 WeakPolarHBondContact O-CG 3.37Å; D339-K343 PolarHBondContact O-N 3.04Å; D339-K343 WeakPolarHBondContact OD1-CE 3.4Å; D339-K343 IonicContact OD1-NZ 2.69Å; D339-K343 PolarHBondContact OD1-NZ 3.45Å; D339-K343 WeakPolarHBondContact OD2-CE 3.49Å; D339-K343 IonicContact OD2-NZ 3.09Å; D339-K343 PolarHBondContact OD2-NZ 3.3Å
340	S	92.8	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-32.8	175.4	-56.4	0	0	0	0	112.2	N268 N337 L344	N268-S340 WeakPolarHBondContact CB-OG 3.21Å; N337-S340 PolarHBondContact ND2-OG 2.81Å; N337-S340 PolarHBondContact O-N 2.92Å; N337-S340 VanDerWaalsContact OD1-CB 3.26Å; N337-S340 WeakPolarHBondContact OD1-CB 3.48Å; N337-S340 PolarHBondContact OD1-N 2.94Å; N337-S340 PolarHBondContact OD1-OG 3.26Å; S340-L344 WeakPolarHBondContact O-CB 3.28Å; S340-L344 WeakPolarHBondContact O-CG 3.34Å; S340-L344 PolarHBondContact O-N 2.97Å
341	A	94.4	Very high	93.3	Very high	7 Å²	7	40.2 Å²	40.2	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-47.7	175.7	0	0	0	0	0	111.3	S319 V321 A335 N337 K338 D339 L344 Q345	S319-A341 WeakPolarHBondContact OG-CB 3.35Å; V321-A341 HydrophobicContact CG1-CB 4.23Å; A335-A341 VanDerWaalsContact CB-CA 3.45Å; A335-A341 HydrophobicContact CB-CB 3.66Å; N337-A341 PolarHBondContact O-N 2.88Å; K338-A341 WeakPolarHBondContact O-CB 3.35Å; K338-A341 PolarHBondContact O-N 2.96Å; D339-A341 VanDerWaalsContact C-N 3.27Å; D339-A341 PolarHBondContact O-N 3.39Å; A341-L344 PolarHBondContact O-N 3.08Å; A341-Q345 WeakPolarHBondContact O-CG 3.32Å; A341-Q345 PolarHBondContact O-N 2.88Å; A341-Q345 PolarHBondContact O-OE1 2.82Å
342	L	94.2	Very high	93	Very high	93 Å²	93	41.4 Å²	41.4	49%	0.487	19%	0.192	S	C	.	.	H	α-helix	trans	-64.8	-43.2	177.9	-68.8	169.8	0	0	0	112.1	K338 D339 L344 Q345 E346	K338-L342 HydrophobicContact CG-CD1 4.28Å; K338-L342 WeakPolarHBondContact O-CG 3.19Å; K338-L342 PolarHBondContact O-N 3.36Å; D339-L342 PolarHBondContact O-N 3.33Å; L342-L344 PolarHBondContact O-N 3.01Å; L342-Q345 CarbonylContact O-C 3.58Å; L342-Q345 VanDerWaalsContact O-CA 3.31Å; L342-Q345 WeakPolarHBondContact O-CA 3.43Å; L342-Q345 PolarHBondContact O-N 2.89Å; L342-E346 WeakPolarHBondContact O-CB 3.46Å; L342-E346 PolarHBondContact O-N 3.31Å
343	K	93.7	Very high	92.8	Very high	65 Å²	65	41.5 Å²	41.5	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-37.9	178	-72.4	169.6	179.7	163.6	0	113	D339 A347 F543 F546	D339-K343 WeakPolarHBondContact O-CG 3.37Å; D339-K343 PolarHBondContact O-N 3.04Å; D339-K343 WeakPolarHBondContact OD1-CE 3.4Å; D339-K343 IonicContact OD1-NZ 2.69Å; D339-K343 PolarHBondContact OD1-NZ 3.45Å; D339-K343 WeakPolarHBondContact OD2-CE 3.49Å; D339-K343 IonicContact OD2-NZ 3.09Å; D339-K343 PolarHBondContact OD2-NZ 3.3Å; K343-A347 WeakPolarHBondContact O-CB 3.29Å; K343-A347 PolarHBondContact O-N 3.02Å; K343-F543 HydrophobicContact CB-CE1 4.39Å; K343-F543 HydrophobicContact CB-CZ 4.03Å; K343-F543 HydrophobicContact CG-CZ 4.34Å; K343-F543 WeakPolarHBondContact O-CE1 3.28Å; K343-F543 WeakPolarHBondContact O-CZ 3.5Å; K343-F546 HydrophobicContact CB-CD1 4.42Å; K343-F546 HydrophobicContact CB-CE1 3.63Å; K343-F546 HydrophobicContact CB-CE2 4.22Å; K343-F546 HydrophobicContact CB-CZ 3.51Å; K343-F546 HydrophobicContact CD-CD1 3.84Å; K343-F546 HydrophobicContact CD-CE1 3.9Å; K343-F546 HydrophobicContact CD-CG 4.24Å; K343-F546 HydrophobicContact CD-CZ 4.34Å; K343-F546 HydrophobicContact CG-CE1 4.33Å
344	L	94.1	Very high	92.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-72	-39.2	172.1	-71.4	170	0	0	0	111.5	V269 V321 L333 A335 S340 A341 L342 E346 A347 F348 I353 F546 I547	V269-L344 HydrophobicContact CG1-CD1 4.28Å; V269-L344 HydrophobicContact CG2-CD1 3.9Å; V321-L344 HydrophobicContact CB-CB 3.75Å; V321-L344 HydrophobicContact CB-CD1 4.47Å; V321-L344 HydrophobicContact CG1-CB 3.81Å; V321-L344 HydrophobicContact CG1-CD1 4.1Å; V321-L344 HydrophobicContact CG2-CB 3.79Å; V321-L344 HydrophobicContact CG2-CD1 3.93Å; V321-L344 HydrophobicContact CG2-CG 4.41Å; L333-L344 HydrophobicContact CD1-CD2 4.37Å; A335-L344 HydrophobicContact CB-CD1 4.45Å; S340-L344 WeakPolarHBondContact O-CB 3.28Å; S340-L344 WeakPolarHBondContact O-CG 3.34Å; S340-L344 PolarHBondContact O-N 2.97Å; A341-L344 PolarHBondContact O-N 3.08Å; L342-L344 PolarHBondContact O-N 3.01Å; L344-E346 PolarHBondContact O-N 2.58Å; L344-A347 PolarHBondContact O-N 3.17Å; L344-F348 VanDerWaalsContact O-CD2 3.23Å; L344-F348 WeakPolarHBondContact O-CD2 3.47Å; L344-F348 PolarHBondContact O-N 3.27Å; L344-I353 HydrophobicContact CD2-CD1 4.39Å; L344-F546 HydrophobicContact CD1-CE2 4.4Å; L344-F546 HydrophobicContact CD2-CZ 4.15Å; L344-F546 HydrophobicContact CG-CE2 4.08Å; L344-F546 HydrophobicContact CG-CZ 3.94Å; L344-I547 HydrophobicContact CD2-CD1 3.71Å
345	Q	94.1	Very high	92.7	Very high	25 Å²	25	43.1 Å²	43.1	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-37.6	-65.6	163.2	60.2	68.7	-25.4	0	0	111.6	V321 A341 L342 A347 F348 S349	V321-Q345 HydrophobicContact CB-CG 3.94Å; V321-Q345 HydrophobicContact CG1-CG 4.36Å; V321-Q345 WeakPolarHBondContact O-CG 3.46Å; A341-Q345 WeakPolarHBondContact O-CG 3.32Å; A341-Q345 PolarHBondContact O-N 2.88Å; A341-Q345 PolarHBondContact O-OE1 2.82Å; L342-Q345 CarbonylContact O-C 3.58Å; L342-Q345 VanDerWaalsContact O-CA 3.31Å; L342-Q345 WeakPolarHBondContact O-CA 3.43Å; L342-Q345 PolarHBondContact O-N 2.89Å; Q345-A347 PolarHBondContact O-N 3.25Å; Q345-F348 PolarHBondContact O-N 3.12Å; Q345-S349 PolarHBondContact O-N 3.45Å
346	E	92.5	Very high	92.7	Very high	67 Å²	67	43.7 Å²	43.7	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-59	-44.7	179	-179.7	174.1	-159.5	0	0	112.6	L342 L344 F348 S349 R350 F543	L342-E346 WeakPolarHBondContact O-CB 3.46Å; L342-E346 PolarHBondContact O-N 3.31Å; L344-E346 PolarHBondContact O-N 2.58Å; E346-F348 VanDerWaalsContact C-N 3.33Å; E346-F348 PolarHBondContact O-N 3.34Å; E346-S349 PolarHBondContact O-N 3.39Å; E346-R350 HydrophobicContact CG-CG 4.06Å; E346-R350 WeakPolarHBondContact O-CB 3.31Å; E346-R350 WeakPolarHBondContact O-CG 3.4Å; E346-R350 PolarHBondContact O-N 2.68Å; E346-R350 IonicContact OE1-CZ 3.65Å; E346-R350 IonicContact OE1-NE 3.89Å; E346-R350 PolarHBondContact OE1-NE 3Å; E346-R350 IonicContact OE1-NH2 2.7Å; E346-R350 PolarHBondContact OE1-NH2 3.42Å; E346-F543 HydrophobicContact CB-CZ 4.42Å; E346-F543 HydrophobicContact CG-CZ 4.35Å; E346-F543 WeakPolarHBondContact OE2-CE2 3.29Å
347	A	92.3	Very high	92.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-34.9	179.5	0	0	0	0	0	113.7	K343 L344 Q345 R351 W352 I353 F543 F544	K343-A347 WeakPolarHBondContact O-CB 3.29Å; K343-A347 PolarHBondContact O-N 3.02Å; L344-A347 PolarHBondContact O-N 3.17Å; Q345-A347 PolarHBondContact O-N 3.25Å; A347-R351 PolarHBondContact O-N 3.21Å; A347-W352 HydrophobicContact CB-CB 4.45Å; A347-W352 HydrophobicContact CB-CE3 4.42Å; A347-W352 PolarHBondContact O-N 3.06Å; A347-I353 HydrophobicContact CB-CD1 3.76Å; A347-I353 HydrophobicContact CB-CG1 3.98Å; A347-F543 HydrophobicContact CB-CE1 4.09Å; A347-F544 HydrophobicContact CB-CE1 3.57Å; A347-F544 HydrophobicContact CB-CZ 3.81Å
348	F	92.2	Very high	93.2	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.039	18%	0.182	C	C	.	.	H	α-helix	trans	-70.2	-43	172.3	-82	-67.5	0	0	0	111.8	V321 H322 L344 Q345 E346 R351 I353 K355 L519	V321-F348 HydrophobicContact CG2-CD2 4.45Å; V321-F348 HydrophobicContact CG2-CE2 3.91Å; H322-F348 HydrophobicContact CB-CD1 4.42Å; H322-F348 HydrophobicContact CB-CD2 4.06Å; H322-F348 HydrophobicContact CB-CE1 4.17Å; H322-F348 HydrophobicContact CB-CE2 3.82Å; H322-F348 HydrophobicContact CB-CG 4.38Å; H322-F348 HydrophobicContact CB-CZ 3.88Å; H322-F348 AromaticContact CD2-CE2 3.48Å; H322-F348 VanDerWaalsContact CD2-CE2 3.48Å; H322-F348 WeakPolarHBondContact CD2-CE2 3.43Å; H322-F348 AromaticContact CD2-CZ 3.27Å; H322-F348 WeakPolarHBondContact CD2-CZ 3.37Å; H322-F348 AromaticContact CG-CE2 3.9Å; H322-F348 AromaticContact CG-CZ 3.63Å; H322-F348 AromaticContact NE2-CZ 3.92Å; L344-F348 VanDerWaalsContact O-CD2 3.23Å; L344-F348 WeakPolarHBondContact O-CD2 3.47Å; L344-F348 PolarHBondContact O-N 3.27Å; Q345-F348 PolarHBondContact O-N 3.12Å; E346-F348 VanDerWaalsContact C-N 3.33Å; E346-F348 PolarHBondContact O-N 3.34Å; F348-R351 PolarHBondContact O-N 3.21Å; F348-I353 HydrophobicContact CD1-CB 3.98Å; F348-I353 HydrophobicContact CD1-CD1 4.1Å; F348-I353 HydrophobicContact CD1-CG1 4.44Å; F348-I353 HydrophobicContact CD1-CG2 4.36Å; F348-I353 HydrophobicContact CD2-CD1 3.87Å; F348-I353 HydrophobicContact CE1-CB 3.79Å; F348-I353 HydrophobicContact CE1-CD1 3.93Å; F348-I353 HydrophobicContact CE1-CG1 4.39Å; F348-I353 HydrophobicContact CE1-CG2 3.64Å; F348-I353 HydrophobicContact CE2-CD1 3.64Å; F348-I353 HydrophobicContact CG-CD1 4.07Å; F348-I353 HydrophobicContact CZ-CB 4.33Å; F348-I353 HydrophobicContact CZ-CD1 3.68Å; F348-I353 HydrophobicContact CZ-CG2 3.96Å; F348-K355 HydrophobicContact CE1-CD 4.2Å; F348-K355 HydrophobicContact CE1-CG 4.46Å; F348-L519 HydrophobicContact CZ-CD1 4.44Å
349	S	89.9	Confident	93.5	Very high	55 Å²	55	32.1 Å²	32.1	39%	0.385	15%	0.152	S	C	.	.	H	α-helix	trans	-62.5	-49.8	176.7	174.3	0	0	0	0	112.2	Q345 E346 R351	Q345-S349 PolarHBondContact O-N 3.45Å; E346-S349 PolarHBondContact O-N 3.39Å; S349-R351 PolarHBondContact O-N 3.03Å; S349-R351 VanDerWaalsContact O-N 3.07Å
350	R	89.6	Confident	93.7	Very high	128 Å²	128	28.2 Å²	28.2	48%	0.483	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-0.2	174.7	-66.1	-172.4	-176.7	-109.2	9.1	114.3	E346 W352	E346-R350 HydrophobicContact CG-CG 4.06Å; E346-R350 WeakPolarHBondContact O-CB 3.31Å; E346-R350 WeakPolarHBondContact O-CG 3.4Å; E346-R350 PolarHBondContact O-N 2.68Å; E346-R350 IonicContact OE1-CZ 3.65Å; E346-R350 IonicContact OE1-NE 3.89Å; E346-R350 PolarHBondContact OE1-NE 3Å; E346-R350 IonicContact OE1-NH2 2.7Å; E346-R350 PolarHBondContact OE1-NH2 3.42Å; R350-W352 HydrophobicContact CB-CD2 3.91Å; R350-W352 HydrophobicContact CB-CG 4.06Å; R350-W352 HydrophobicContact CB-CZ2 4.37Å; R350-W352 VanDerWaalsContact CD-CH2 3.45Å; R350-W352 HydrophobicContact CG-CZ2 4.5Å; R350-W352 PolarHBondContact O-N 2.78Å
351	R	90.6	Very high	94	Very high	40 Å²	40	28.2 Å²	28.2	15%	0.151	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	29.5	177.2	-61.5	165.8	-156.8	156.2	9.2	113.7	D75 A347 F348 S349 I353 N433 L456	D75-R351 IonicContact OD2-NH2 3.77Å; D75-R351 PolarHBondContact OD2-NH2 3.47Å; A347-R351 PolarHBondContact O-N 3.21Å; F348-R351 PolarHBondContact O-N 3.21Å; S349-R351 PolarHBondContact O-N 3.03Å; S349-R351 VanDerWaalsContact O-N 3.07Å; R351-I353 PolarHBondContact O-N 3.12Å; R351-N433 PolarHBondContact NH1-ND2 3.11Å; R351-N433 PolarHBondContact NH1-OD1 3.36Å; R351-N433 PolarHBondContact NH2-ND2 2.94Å; R351-L456 HydrophobicContact CB-CB 4.13Å; R351-L456 HydrophobicContact CG-CB 4.43Å
352	W	90.9	Very high	94.2	Very high	27 Å²	27	28.6 Å²	28.6	10%	0.102	13%	0.133	C	C	.	.			trans	-79.6	1.3	174.7	-63.5	-10.9	0	0	0	113.1	A347 R350 H522 I523 F543 F544	A347-W352 HydrophobicContact CB-CB 4.45Å; A347-W352 HydrophobicContact CB-CE3 4.42Å; A347-W352 PolarHBondContact O-N 3.06Å; R350-W352 HydrophobicContact CB-CD2 3.91Å; R350-W352 HydrophobicContact CB-CG 4.06Å; R350-W352 HydrophobicContact CB-CZ2 4.37Å; R350-W352 VanDerWaalsContact CD-CH2 3.45Å; R350-W352 HydrophobicContact CG-CZ2 4.5Å; R350-W352 PolarHBondContact O-N 2.78Å; W352-H522 CarbonylContact C-O 3.41Å; W352-H522 WeakPolarHBondContact CA-O 3.22Å; W352-H522 WeakPolarHBondContact CB-O 3.24Å; W352-H522 PolarHBondContact O-N 3.47Å; W352-I523 HydrophobicContact CD2-CG1 4.35Å; W352-I523 HydrophobicContact CD2-CG2 4.41Å; W352-I523 HydrophobicContact CE3-CG1 4.31Å; W352-I523 HydrophobicContact CZ2-CG2 4.12Å; W352-F543 AromaticContact CE3-CD1 3.97Å; W352-F543 HydrophobicContact CE3-CD1 3.97Å; W352-F543 HydrophobicContact CE3-CE1 4.04Å; W352-F543 HydrophobicContact CE3-CG 4.36Å; W352-F543 HydrophobicContact CE3-CZ 4.45Å; W352-F543 HydrophobicContact CH2-CD2 4.42Å; W352-F543 HydrophobicContact CZ3-CB 4.38Å; W352-F543 AromaticContact CZ3-CD1 3.69Å; W352-F543 HydrophobicContact CZ3-CD1 3.69Å; W352-F543 AromaticContact CZ3-CD2 3.75Å; W352-F543 HydrophobicContact CZ3-CD2 3.75Å; W352-F543 AromaticContact CZ3-CE1 3.85Å; W352-F543 HydrophobicContact CZ3-CE1 3.85Å; W352-F543 AromaticContact CZ3-CE2 3.87Å; W352-F543 HydrophobicContact CZ3-CE2 3.87Å; W352-F543 AromaticContact CZ3-CG 3.65Å; W352-F543 HydrophobicContact CZ3-CG 3.65Å; W352-F543 AromaticContact CZ3-CZ 3.92Å; W352-F543 HydrophobicContact CZ3-CZ 3.92Å; W352-F544 HydrophobicContact CB-CE2 4.44Å; W352-F544 HydrophobicContact CB-CZ 3.99Å; W352-F544 HydrophobicContact CE3-CZ 4.26Å
353	I	92.5	Very high	94.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	104.1	-179.4	-51	-173.3	0	0	0	109.8	L344 A347 F348 R351 K355 L519 H520 L521	L344-I353 HydrophobicContact CD2-CD1 4.39Å; A347-I353 HydrophobicContact CB-CD1 3.76Å; A347-I353 HydrophobicContact CB-CG1 3.98Å; F348-I353 HydrophobicContact CD1-CB 3.98Å; F348-I353 HydrophobicContact CD1-CD1 4.1Å; F348-I353 HydrophobicContact CD1-CG1 4.44Å; F348-I353 HydrophobicContact CD1-CG2 4.36Å; F348-I353 HydrophobicContact CD2-CD1 3.87Å; F348-I353 HydrophobicContact CE1-CB 3.79Å; F348-I353 HydrophobicContact CE1-CD1 3.93Å; F348-I353 HydrophobicContact CE1-CG1 4.39Å; F348-I353 HydrophobicContact CE1-CG2 3.64Å; F348-I353 HydrophobicContact CE2-CD1 3.64Å; F348-I353 HydrophobicContact CG-CD1 4.07Å; F348-I353 HydrophobicContact CZ-CB 4.33Å; F348-I353 HydrophobicContact CZ-CD1 3.68Å; F348-I353 HydrophobicContact CZ-CG2 3.96Å; R351-I353 PolarHBondContact O-N 3.12Å; I353-K355 WeakPolarHBondContact O-CE 3.5Å; I353-L519 HydrophobicContact CG2-CB 4.04Å; I353-L519 HydrophobicContact CG2-CD2 4.14Å; I353-H520 WeakPolarHBondContact CA-O 3.31Å; I353-L521 HydrophobicContact CD1-CG 4.2Å; I353-L521 HydrophobicContact CG1-CG 4.13Å; I353-L521 HydrophobicContact CG2-CD1 4.39Å
354	K	93.8	Very high	94.2	Very high	23 Å²	23	25.4 Å²	25.4	10%	0.1	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.1	169.9	-179.3	-176.7	70.5	109	0	109.5	D356 A420 F421 L456 L519 H520	K354-D356 WeakPolarHBondContact CE-OD1 3.22Å; K354-D356 WeakPolarHBondContact CG-OD1 3.25Å; K354-D356 IonicContact NZ-OD1 3.93Å; K354-D356 PolarHBondContact NZ-OD1 2.98Å; K354-D356 IonicContact NZ-OD2 2.7Å; K354-D356 PolarHBondContact NZ-OD2 3.28Å; K354-A420 HydrophobicContact CD-CB 4.45Å; K354-F421 HydrophobicContact CB-CD2 3.93Å; K354-F421 HydrophobicContact CD-CB 4.18Å; K354-L456 HydrophobicContact CB-CD2 3.84Å; K354-L456 HydrophobicContact CG-CD2 4.36Å; K354-L519 WeakPolarHBondContact O-CA 3.31Å; K354-H520 HydrophobicContact CB-CB 4.32Å; K354-H520 PolarHBondContact N-O 3.2Å; K354-H520 PolarHBondContact O-N 2.97Å
355	K	95.5	Very high	94	Very high	13 Å²	13	25.7 Å²	25.7	6%	0.057	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.9	176.6	-67.2	142.9	-75.9	-168.8	0	108.9	F348 I353 Y357 S454 T455 L456 T457 L519	F348-K355 HydrophobicContact CE1-CD 4.2Å; F348-K355 HydrophobicContact CE1-CG 4.46Å; I353-K355 WeakPolarHBondContact O-CE 3.5Å; K355-Y357 HydrophobicContact CB-CD2 4.21Å; K355-Y357 HydrophobicContact CB-CE2 3.48Å; K355-Y357 VanDerWaalsContact CB-CE2 3.48Å; K355-Y357 HydrophobicContact CG-CE2 4.47Å; K355-S454 CarbonylContact O-C 3.59Å; K355-S454 WeakPolarHBondContact O-CA 3.45Å; K355-T455 VanDerWaalsContact CE-O 3.3Å; K355-T455 WeakPolarHBondContact CE-O 3.44Å; K355-T455 PolarHBondContact N-O 3.06Å; K355-T455 PolarHBondContact O-N 3.22Å; K355-L456 PolarHBondContact NZ-O 2.71Å; K355-T457 VanDerWaalsContact NZ-C 3.33Å; K355-T457 PolarHBondContact NZ-O 3.32Å; K355-L519 HydrophobicContact CB-CD2 4.11Å; K355-L519 HydrophobicContact CG-CD2 3.36Å
356	D	95.6	Very high	93.7	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.064	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.1	173.2	-68.3	4.2	0	0	0	108.5	K354 L452 S454 L517 S518 H520	K354-D356 WeakPolarHBondContact CE-OD1 3.22Å; K354-D356 WeakPolarHBondContact CG-OD1 3.25Å; K354-D356 IonicContact NZ-OD1 3.93Å; K354-D356 PolarHBondContact NZ-OD1 2.98Å; K354-D356 IonicContact NZ-OD2 2.7Å; K354-D356 PolarHBondContact NZ-OD2 3.28Å; D356-L452 HydrophobicContact CB-CD1 4.19Å; D356-S454 PolarHBondContact OD1-OG 3.47Å; D356-L517 WeakPolarHBondContact O-CA 3.11Å; D356-L517 WeakPolarHBondContact O-CB 3.41Å; D356-L517 PolarHBondContact O-N 3.12Å; D356-S518 PolarHBondContact N-O 3.07Å; D356-S518 PolarHBondContact O-N 3.35Å; D356-S518 VanDerWaalsContact O-N 3.17Å; D356-H520 IonicContact OD2-CD2 2.79Å; D356-H520 IonicContact OD2-CE1 2.81Å; D356-H520 IonicContact OD2-NE2 3.26Å; D356-H520 PolarHBondContact OD2-NE2 3.12Å
357	Y	97.3	Very high	93.4	Very high	28 Å²	28	31.3 Å²	31.3	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.4	178.5	-66.8	-99.9	0	0	0	110.3	L324 K355 L452 C453 I463 L514 H515 A516	L324-Y357 HydrophobicContact CD2-CE1 3.98Å; K355-Y357 HydrophobicContact CB-CD2 4.21Å; K355-Y357 HydrophobicContact CB-CE2 3.48Å; K355-Y357 VanDerWaalsContact CB-CE2 3.48Å; K355-Y357 HydrophobicContact CG-CE2 4.47Å; Y357-L452 CarbonylContact O-C 3.48Å; Y357-L452 WeakPolarHBondContact O-CA 3.35Å; Y357-C453 PolarHBondContact N-O 3.2Å; Y357-C453 PolarHBondContact O-N 2.82Å; Y357-I463 HydrophobicContact CD1-CD1 4.16Å; Y357-I463 HydrophobicContact CD2-CD1 3.16Å; Y357-I463 HydrophobicContact CE2-CD1 3.59Å; Y357-I463 HydrophobicContact CG-CD1 3.48Å; Y357-I463 VanDerWaalsContact CG-CD1 3.48Å; Y357-L514 HydrophobicContact CD1-CD1 3.86Å; Y357-L514 HydrophobicContact CD1-CG 4.34Å; Y357-L514 HydrophobicContact CG-CD1 4.23Å; Y357-H515 CarbonylContact C-O 3.6Å; Y357-H515 VanDerWaalsContact CA-O 3.22Å; Y357-H515 WeakPolarHBondContact CA-O 3.4Å; Y357-A516 HydrophobicContact CD1-CB 3.92Å; Y357-A516 HydrophobicContact CE1-CB 3.65Å
358	L	97.1	Very high	93.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.6	168.4	-160.7	73.1	0	0	0	109.2	I442 L450 H515 L517 L575 F579 L590 L594	L358-I442 HydrophobicContact CD1-CD1 3.65Å; L358-L450 HydrophobicContact CD1-CD1 4Å; L358-L450 HydrophobicContact CD1-CG 4.27Å; L358-L450 HydrophobicContact CD2-CD1 4.03Å; L358-L450 HydrophobicContact CG-CD1 3.86Å; L358-H515 PolarHBondContact N-O 2.81Å; L358-H515 PolarHBondContact O-N 3.34Å; L358-L517 HydrophobicContact CB-CB 4.41Å; L358-L517 HydrophobicContact CB-CD2 4.41Å; L358-L575 HydrophobicContact CB-CD2 4.49Å; L358-L575 HydrophobicContact CD2-CD1 3.85Å; L358-L575 HydrophobicContact CD2-CD2 3.73Å; L358-L575 HydrophobicContact CD2-CG 4.39Å; L358-F579 HydrophobicContact CB-CZ 4.31Å; L358-F579 HydrophobicContact CD2-CE1 3.82Å; L358-F579 HydrophobicContact CD2-CZ 3.89Å; L358-F579 HydrophobicContact CG-CE1 4.33Å; L358-F579 HydrophobicContact CG-CZ 3.92Å; L358-L590 HydrophobicContact CD2-CD2 3.9Å; L358-L594 HydrophobicContact CD1-CD1 4.3Å
359	C	97.9	Very high	93	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.5	174.2	63.6	0	0	0	0	113.2	M451 L467 I475 H513 L514	C359-M451 PolarHBondContact N-O 3Å; C359-M451 PolarHBondContact O-N 3.45Å; C359-L467 VanDerWaalsContact SG-CD1 3.54Å; C359-I475 HydrophobicContact CB-CD1 4.09Å; C359-I475 HydrophobicContact CB-CG1 4.34Å; C359-I475 HydrophobicContact CB-CG2 4.24Å; C359-H513 WeakPolarHBondContact CA-O 3.33Å; C359-H513 WeakPolarHBondContact CB-O 3.38Å; C359-L514 HydrophobicContact CB-CD1 3.96Å
360	I	98.1	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.7	168.7	-57	-177.1	0	0	0	107.1	A448 A449 L450 I475 L476 H513 F579 L583 I586 L588	I360-A448 HydrophobicContact CG2-CB 4.2Å; I360-A449 CarbonylContact C-O 3.56Å; I360-A449 VanDerWaalsContact CA-O 3.31Å; I360-A449 WeakPolarHBondContact CA-O 3.22Å; I360-L450 HydrophobicContact CG1-CD1 4.16Å; I360-I475 CarbonylContact O-C 3.54Å; I360-I475 WeakPolarHBondContact O-CA 3.41Å; I360-I475 WeakPolarHBondContact O-CG2 3.49Å; I360-L476 HydrophobicContact CB-CB 4.27Å; I360-L476 HydrophobicContact CB-CD2 4.45Å; I360-L476 HydrophobicContact CG2-CB 4.17Å; I360-L476 HydrophobicContact CG2-CD2 4.01Å; I360-L476 WeakPolarHBondContact O-CB 3.28Å; I360-L476 PolarHBondContact O-N 3.29Å; I360-H513 HydrophobicContact CB-CB 3.97Å; I360-H513 HydrophobicContact CG1-CB 4.34Å; I360-H513 PolarHBondContact N-O 3.48Å; I360-F579 HydrophobicContact CD1-CD1 4.31Å; I360-F579 HydrophobicContact CD1-CE1 4.04Å; I360-F579 HydrophobicContact CD1-CZ 4.37Å; I360-F579 HydrophobicContact CG1-CE1 3.88Å; I360-F579 HydrophobicContact CG1-CE2 4.36Å; I360-F579 HydrophobicContact CG1-CZ 3.76Å; I360-L583 HydrophobicContact CD1-CB 4.22Å; I360-I586 HydrophobicContact CD1-CD1 4.26Å; I360-I586 HydrophobicContact CG2-CD1 3.98Å; I360-L588 HydrophobicContact CD1-CD1 4.37Å; I360-L588 HydrophobicContact CG1-CD1 4.46Å; I360-L588 HydrophobicContact CG2-CD1 3.96Å
361	T	98.1	Very high	92.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	153.9	176.3	56.6	0	0	0	0	111.7	A448 A449 M451 L467 T473	T361-A448 WeakPolarHBondContact O-CA 3.47Å; T361-A448 VanDerWaalsContact O-CB 3.3Å; T361-A448 WeakPolarHBondContact O-CB 3.41Å; T361-A449 PolarHBondContact N-O 3.23Å; T361-A449 PolarHBondContact O-N 3.48Å; T361-A449 VanDerWaalsContact O-N 3.12Å; T361-A449 WeakPolarHBondContact OG1-CB 3.24Å; T361-A449 PolarHBondContact OG1-O 3.44Å; T361-M451 HydrophobicContact CG2-CG 3.78Å; T361-L467 HydrophobicContact CG2-CD1 3.88Å; T361-T473 WeakPolarHBondContact CB-O 3.04Å; T361-T473 VanDerWaalsContact CG2-O 3.24Å; T361-T473 WeakPolarHBondContact CG2-O 3.46Å
362	V	97.6	Very high	92.6	Very high	15 Å²	15	26.2 Å²	26.2	9%	0.091	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.2	170.5	-177	0	0	0	0	107.7	T473 P474 L476 L492 P493 L496	V362-T473 CarbonylContact O-C 3.53Å; V362-T473 WeakPolarHBondContact O-CA 3.35Å; V362-P474 PolarHBondContact N-O 3.33Å; V362-L476 HydrophobicContact CG2-CB 4.15Å; V362-L476 HydrophobicContact CG2-CD1 3.93Å; V362-L492 HydrophobicContact CB-CD2 4.48Å; V362-L492 HydrophobicContact CG1-CD2 4.07Å; V362-L492 HydrophobicContact CG2-CD2 3.58Å; V362-P493 HydrophobicContact CG1-CG 4.45Å; V362-L496 HydrophobicContact CG1-CD2 4.19Å; V362-L496 HydrophobicContact CG2-CD2 4.07Å
363	G	94.5	Very high	92.4	Very high	24 Å²	24	25.5 Å²	25.5	25%	0.247	12%	0.123	C	C	.	.	S	Bend	trans	86.9	170.9	-161.6	0	0	0	0	0	112	N447	G363-N447 PolarHBondContact N-O 3.23Å
364	I	93.8	Very high	92	Very high	66 Å²	66	25.5 Å²	25.5	34%	0.338	12%	0.123	S	C	.	.			trans	-125.3	133.5	-178.1	-58.8	166.7	0	0	0	106.4	L441 K444 A449	I364-L441 HydrophobicContact CG2-CD2 4.36Å; I364-K444 HydrophobicContact CD1-CB 3.98Å; I364-K444 HydrophobicContact CG1-CB 4.15Å; I364-K444 HydrophobicContact CG2-CB 4.1Å; I364-K444 HydrophobicContact CG2-CD 3.79Å; I364-A449 HydrophobicContact CG1-CB 4.43Å
365	P	90.4	Very high	91.6	Very high	7 Å²	7	26.7 Å²	26.7	5%	0.045	13%	0.133	C	C	.	.			trans	-64.7	163.8	176.4	30.6	-37.8	0	0	0	111.3	S367 Y439 L441 M451 L471	P365-S367 WeakPolarHBondContact CG-O 3.31Å; P365-Y439 HydrophobicContact CB-CE2 4.39Å; P365-L441 HydrophobicContact CG-CB 4.45Å; P365-L441 HydrophobicContact CG-CD1 4.34Å; P365-M451 HydrophobicContact CG-CE 3.92Å; P365-M451 HydrophobicContact CG-SD 3.86Å; P365-L471 HydrophobicContact CB-CD1 4.11Å; P365-L471 HydrophobicContact CB-CD2 4.24Å
366	R	87.6	Confident	91.2	Very high	186 Å²	186	27 Å²	27	70%	0.702	14%	0.135	S	C	*	.	S	Bend	trans	-71.4	-49.7	179.9	-67.4	176.5	174	-144.1	-9.7	111.5
367	S	86.4	Confident	90.9	Very high	23 Å²	23	29 Å²	29	16%	0.161	15%	0.147	C	C	.	.	S	Bend	trans	-94.9	151.3	173.3	-60.1	0	0	0	0	111.7	P365 Y369 D407	P365-S367 WeakPolarHBondContact CG-O 3.31Å; S367-Y369 VanDerWaalsContact C-N 3.28Å; S367-Y369 VanDerWaalsContact CB-O 3.3Å; S367-Y369 WeakPolarHBondContact CB-O 3.44Å; S367-D407 VanDerWaalsContact CB-OD1 3.28Å; S367-D407 WeakPolarHBondContact CB-OD1 3.44Å; S367-D407 WeakPolarHBondContact OG-CB 3.06Å; S367-D407 PolarHBondContact OG-OD1 3.26Å
368	D	88	Confident	90.5	Very high	79 Å²	79	30 Å²	30	42%	0.422	15%	0.154	S	C	.	.	S	Bend	trans	-74.7	-19.1	174.2	-68.6	-15.8	0	0	0	111.5	N440 L441 K444	D368-N440 CarbonylContact O-C 3.55Å; D368-N440 PolarHBondContact O-OD1 2.92Å; D368-L441 HydrophobicContact CB-CB 4.33Å; D368-L441 HydrophobicContact CB-CD2 4.48Å; D368-L441 VanDerWaalsContact O-CB 3.26Å; D368-L441 WeakPolarHBondContact O-CB 3.03Å; D368-L441 PolarHBondContact O-N 3.2Å; D368-L441 WeakPolarHBondContact OD1-CD2 3.34Å; D368-K444 IonicContact OD1-NZ 2.65Å; D368-K444 PolarHBondContact OD1-NZ 3.27Å; D368-K444 IonicContact OD2-NZ 3.49Å; D368-K444 PolarHBondContact OD2-NZ 3.47Å
369	Y	88.3	Confident	90.1	Very high	34 Å²	34	34.3 Å²	34.3	13%	0.133	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	164.3	170.6	64.7	-79.9	0	0	0	111.7	S367 I408 N410 V417 Y439	S367-Y369 VanDerWaalsContact C-N 3.28Å; S367-Y369 VanDerWaalsContact CB-O 3.3Å; S367-Y369 WeakPolarHBondContact CB-O 3.44Å; Y369-I408 HydrophobicContact CD2-CB 4.42Å; Y369-I408 HydrophobicContact CD2-CD1 4.08Å; Y369-I408 HydrophobicContact CE2-CB 3.7Å; Y369-I408 HydrophobicContact CE2-CD1 3.79Å; Y369-I408 HydrophobicContact CE2-CG1 4.26Å; Y369-I408 HydrophobicContact CE2-CG2 3.89Å; Y369-N410 WeakPolarHBondContact CE1-OD1 3.29Å; Y369-N410 PolarHBondContact OH-OD1 3.22Å; Y369-V417 HydrophobicContact CD1-CG1 4.35Å; Y369-V417 HydrophobicContact CD2-CG1 3.97Å; Y369-V417 HydrophobicContact CD2-CG2 4.08Å; Y369-V417 HydrophobicContact CE1-CG2 4.34Å; Y369-V417 HydrophobicContact CE2-CG1 4.45Å; Y369-V417 HydrophobicContact CE2-CG2 3.72Å; Y369-V417 HydrophobicContact CG-CG1 3.92Å; Y369-Y439 VanDerWaalsContact CA-O 3.31Å; Y369-Y439 WeakPolarHBondContact CA-O 3.27Å; Y369-Y439 WeakPolarHBondContact CB-O 3.45Å
370	G	86.9	Confident	89.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-158	176.6	0	0	0	0	0	112.3	W438 Y439	G370-W438 WeakPolarHBondContact O-CA 3.49Å; G370-Y439 VanDerWaalsContact C-CD1 3.49Å; G370-Y439 VanDerWaalsContact C-CE1 3.41Å; G370-Y439 PolarHBondContact N-O 2.7Å; G370-Y439 WeakPolarHBondContact O-CD1 3.36Å; G370-Y439 PolarHBondContact O-N 2.83Å
371	Y	87.6	Confident	88.7	Confident	13 Å²	13	40.8 Å²	40.8	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.9	172	65.7	-89.5	0	0	0	112.4	Q373 L406 K427 T436 T437	Y371-Q373 HydrophobicContact CD2-CB 4.2Å; Y371-Q373 HydrophobicContact CE2-CB 4.27Å; Y371-L406 HydrophobicContact CE1-CB 4.05Å; Y371-L406 WeakPolarHBondContact OH-CD1 3.33Å; Y371-K427 HydrophobicContact CE1-CD 3.99Å; Y371-K427 HydrophobicContact CE1-CG 4.22Å; Y371-K427 HydrophobicContact CE2-CD 4.14Å; Y371-K427 HydrophobicContact CE2-CG 4.31Å; Y371-K427 WeakPolarHBondContact OH-CD 3.42Å; Y371-K427 VanDerWaalsContact OH-CE 3.28Å; Y371-K427 WeakPolarHBondContact OH-CE 3.27Å; Y371-K427 PolarHBondContact OH-NZ 3.49Å; Y371-T436 HydrophobicContact CD2-CG2 4.09Å; Y371-T436 HydrophobicContact CG-CG2 4.47Å; Y371-T437 CarbonylContact C-O 3.45Å; Y371-T437 WeakPolarHBondContact CA-O 3.44Å
372	I	87.2	Confident	87.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.3	178.1	-52.2	159.5	0	0	0	106.7	L374 T436 T437 Y439 H466 L467 L471	I372-L374 HydrophobicContact CG2-CB 4.45Å; I372-L374 HydrophobicContact CG2-CD1 3.8Å; I372-L374 HydrophobicContact CG2-CG 3.83Å; I372-T436 WeakPolarHBondContact O-CA 3.4Å; I372-T437 PolarHBondContact N-O 2.93Å; I372-T437 PolarHBondContact O-N 2.66Å; I372-Y439 HydrophobicContact CD1-CD1 4.12Å; I372-Y439 HydrophobicContact CG1-CD1 3.9Å; I372-Y439 HydrophobicContact CG1-CE1 4.05Å; I372-H466 HydrophobicContact CB-CB 4.15Å; I372-H466 HydrophobicContact CD1-CB 3.86Å; I372-H466 HydrophobicContact CG2-CB 3.78Å; I372-H466 PolarHBondContact O-ND1 2.95Å; I372-L467 HydrophobicContact CD1-CD2 4.15Å; I372-L471 HydrophobicContact CD1-CD1 3.7Å; I372-L471 HydrophobicContact CD1-CG 3.76Å; I372-L471 HydrophobicContact CG1-CD1 4.35Å; I372-L471 HydrophobicContact CG1-CG 4.16Å
373	Q	86.1	Confident	87.1	Confident	11 Å²	11	50.8 Å²	50.8	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	84.7	178	-168.6	-165.7	-61.3	0	0	108	Y371 T404 N431 Q434	Y371-Q373 HydrophobicContact CD2-CB 4.2Å; Y371-Q373 HydrophobicContact CE2-CB 4.27Å; Q373-T404 PolarHBondContact O-OG1 3.32Å; Q373-N431 PolarHBondContact NE2-OD1 2.75Å; Q373-N431 VanDerWaalsContact OE1-CG 3.26Å; Q373-N431 PolarHBondContact OE1-ND2 3.3Å; Q373-Q434 HydrophobicContact CG-CB 4.01Å
374	L	83.4	Confident	86.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.27	C	S	.	.			trans	-117.7	122.1	179.8	-70.5	176	0	0	0	108.3	I372 L376 T389 T400 P435 H466	I372-L374 HydrophobicContact CG2-CB 4.45Å; I372-L374 HydrophobicContact CG2-CD1 3.8Å; I372-L374 HydrophobicContact CG2-CG 3.83Å; L374-L376 PolarHBondContact O-N 3.14Å; L374-T389 HydrophobicContact CB-CG2 4.08Å; L374-T389 HydrophobicContact CD1-CG2 4.22Å; L374-T389 HydrophobicContact CD2-CG2 4.29Å; L374-T389 HydrophobicContact CG-CG2 4.44Å; L374-T400 HydrophobicContact CD2-CG2 3.85Å; L374-P435 WeakPolarHBondContact O-CG 3.35Å; L374-H466 PolarHBondContact O-NE2 3.35Å; L374-H466 VanDerWaalsContact O-NE2 3.17Å
375	P	86.7	Confident	86.2	Confident	48 Å²	48	55.5 Å²	55.5	31%	0.312	28%	0.279	S	S	.	.			trans	-58.6	135.4	173.2	24.1	-32.1	0	0	0	109.4	T389 P390	P375-T389 WeakPolarHBondContact O-CA 3.38Å; P375-P390 HydrophobicContact CB-CG 4.22Å; P375-P390 HydrophobicContact CG-CG 4.15Å; P375-P390 VanDerWaalsContact O-CD 3.27Å; P375-P390 WeakPolarHBondContact O-CD 3.3Å
376	L	87.2	Confident	86	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.099	28%	0.277	C	S	.	.			trans	-116.7	127.9	-179.5	-67.2	-177.8	0	0	0	110.2	L374 M387 C388 P435 I459 Q462 A465	L374-L376 PolarHBondContact O-N 3.14Å; L376-M387 HydrophobicContact CB-CE 4.21Å; L376-C388 WeakPolarHBondContact CA-O 3.48Å; L376-P435 HydrophobicContact CG-CG 4.44Å; L376-I459 HydrophobicContact CB-CG2 4.39Å; L376-I459 HydrophobicContact CD1-CG2 4.33Å; L376-Q462 HydrophobicContact CD1-CB 4Å; L376-Q462 HydrophobicContact CD1-CG 3.87Å; L376-A465 HydrophobicContact CD1-CB 4.11Å; L376-A465 HydrophobicContact CD2-CB 3.83Å
377	V	89.2	Confident	86.1	Confident	54 Å²	54	46.9 Å²	46.9	33%	0.327	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.9	173.2	-67	0	0	0	0	109.4	R379 M387 C388 P390	V377-R379 HydrophobicContact CG2-CG 4.44Å; V377-M387 CarbonylContact O-C 3.58Å; V377-M387 WeakPolarHBondContact O-CA 3.33Å; V377-C388 WeakPolarHBondContact CG2-O 3.4Å; V377-C388 PolarHBondContact N-O 2.7Å; V377-C388 PolarHBondContact O-N 2.72Å; V377-P390 HydrophobicContact CG1-CG 4.13Å; V377-P390 HydrophobicContact CG2-CB 4.5Å; V377-P390 HydrophobicContact CG2-CG 4.21Å
378	E	88.9	Confident	85.9	Confident	51 Å²	51	45.8 Å²	45.8	24%	0.238	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	135.9	172.5	-164	157.2	-147.2	0	0	110.2	R385 K386 M387 K460	E378-R385 HydrophobicContact CG-CB 4.26Å; E378-R385 WeakPolarHBondContact OE1-CB 3.3Å; E378-R385 IonicContact OE1-NE 3.01Å; E378-R385 PolarHBondContact OE1-NE 3.31Å; E378-R385 IonicContact OE2-CZ 2.74Å; E378-R385 IonicContact OE2-NE 2.72Å; E378-R385 PolarHBondContact OE2-NE 3.26Å; E378-R385 IonicContact OE2-NH2 3.41Å; E378-R385 PolarHBondContact OE2-NH2 2.89Å; E378-K386 WeakPolarHBondContact CA-O 3.41Å; E378-M387 HydrophobicContact CB-CE 4.16Å; E378-M387 HydrophobicContact CB-SD 3.47Å; E378-M387 WeakPolarHBondContact CB-SD 3.22Å; E378-M387 HydrophobicContact CG-SD 3.78Å; E378-K460 WeakPolarHBondContact OE1-CE 3.48Å; E378-K460 IonicContact OE1-NZ 3.26Å; E378-K460 PolarHBondContact OE1-NZ 2.8Å; E378-K460 IonicContact OE2-NZ 2.89Å; E378-K460 PolarHBondContact OE2-NZ 2.83Å
379	R	87.2	Confident	85.5	Confident	89 Å²	89	42.5 Å²	42.5	34%	0.336	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.9	173.9	-72.1	-167.3	173.1	144.3	-3.7	111.5	V377 F381 R385 K386 T389 P390	V377-R379 HydrophobicContact CG2-CG 4.44Å; R379-F381 HydrophobicContact CB-CD2 4.37Å; R379-F381 HydrophobicContact CB-CE2 3.64Å; R379-F381 HydrophobicContact CB-CZ 4.03Å; R379-R385 CarbonylContact O-C 3.37Å; R379-R385 WeakPolarHBondContact O-CA 3.26Å; R379-K386 PolarHBondContact N-O 3.01Å; R379-K386 PolarHBondContact O-N 2.74Å; R379-T389 PolarHBondContact NH1-O 2.93Å; R379-P390 PolarHBondContact NH1-O 3.34Å; R379-P390 PolarHBondContact NH2-O 2.75Å
380	N	86.6	Confident	84.9	Confident	108 Å²	108	43.4 Å²	43.4	58%	0.578	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.3	175.2	-168.5	0	0	0	0	110.4	G383 I384	N380-G383 WeakPolarHBondContact OD1-CA 3.4Å; N380-G383 PolarHBondContact OD1-N 3.44Å; N380-I384 PolarHBondContact OD1-N 2.92Å
381	F	81.3	Confident	84	Confident	28 Å²	28	48.5 Å²	48.5	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	98.4	174.5	-61.3	-94.2	0	0	0	108.6	R379 G383 I384 K386 L392	R379-F381 HydrophobicContact CB-CD2 4.37Å; R379-F381 HydrophobicContact CB-CE2 3.64Å; R379-F381 HydrophobicContact CB-CZ 4.03Å; F381-G383 VanDerWaalsContact C-N 3.31Å; F381-G383 PolarHBondContact O-N 2.88Å; F381-I384 PolarHBondContact N-O 2.78Å; F381-I384 WeakPolarHBondContact O-CB 3.28Å; F381-I384 PolarHBondContact O-N 2.95Å; F381-K386 HydrophobicContact CD2-CB 3.97Å; F381-K386 HydrophobicContact CD2-CD 4.03Å; F381-K386 HydrophobicContact CD2-CG 4Å; F381-K386 HydrophobicContact CE2-CB 3.94Å; F381-K386 HydrophobicContact CE2-CD 4.38Å; F381-K386 HydrophobicContact CE2-CG 4.42Å; F381-L392 HydrophobicContact CE1-CD1 3.65Å; F381-L392 HydrophobicContact CE1-CD2 3.93Å; F381-L392 HydrophobicContact CE1-CG 4.45Å; F381-L392 HydrophobicContact CZ-CD1 3.65Å; F381-L392 HydrophobicContact CZ-CD2 3.66Å; F381-L392 HydrophobicContact CZ-CG 4.26Å
382	N	80.9	Confident	82.7	Confident	164 Å²	164	50.9 Å²	50.9	88%	0.877	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	46.7	179.5	-58.7	-11.8	0	0	0	113.4
383	G	80.9	Confident	81.6	Confident	62 Å²	62	55.1 Å²	55.1	64%	0.639	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-10.9	-176.9	0	0	0	0	0	114.8	N380 F381	N380-G383 WeakPolarHBondContact OD1-CA 3.4Å; N380-G383 PolarHBondContact OD1-N 3.44Å; F381-G383 VanDerWaalsContact C-N 3.31Å; F381-G383 PolarHBondContact O-N 2.88Å
384	I	81.7	Confident	80.5	Confident	43 Å²	43	62.8 Å²	62.8	22%	0.221	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	101.2	-179.8	-56	139.7	0	0	0	109.6	N380 F381 K386 L487	N380-I384 PolarHBondContact OD1-N 2.92Å; F381-I384 PolarHBondContact N-O 2.78Å; F381-I384 WeakPolarHBondContact O-CB 3.28Å; F381-I384 PolarHBondContact O-N 2.95Å; I384-K386 HydrophobicContact CG2-CG 3.96Å; I384-K386 PolarHBondContact O-N 2.97Å; I384-L487 HydrophobicContact CD1-CB 3.57Å; I384-L487 HydrophobicContact CD1-CD2 4.37Å; I384-L487 HydrophobicContact CG1-CB 4.45Å
385	R	86.8	Confident	79.6	Confident	145 Å²	145	71.7 Å²	71.7	55%	0.547	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	121	169.9	-67	175.6	69.7	144.7	1.8	110.9	E378 R379 K480	E378-R385 HydrophobicContact CG-CB 4.26Å; E378-R385 WeakPolarHBondContact OE1-CB 3.3Å; E378-R385 IonicContact OE1-NE 3.01Å; E378-R385 PolarHBondContact OE1-NE 3.31Å; E378-R385 IonicContact OE2-CZ 2.74Å; E378-R385 IonicContact OE2-NE 2.72Å; E378-R385 PolarHBondContact OE2-NE 3.26Å; E378-R385 IonicContact OE2-NH2 3.41Å; E378-R385 PolarHBondContact OE2-NH2 2.89Å; R379-R385 CarbonylContact O-C 3.37Å; R379-R385 WeakPolarHBondContact O-CA 3.26Å; R385-K480 WeakPolarHBondContact O-CE 3.33Å; R385-K480 PolarHBondContact O-NZ 3.47Å
386	K	86.6	Confident	78.4	Confident	1 Å²	1	72.5 Å²	72.5	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.2	176.4	-58.9	-173.4	-175.9	-175.4	0	110.4	E378 R379 F381 I384 K480 Y481 H483 A484 Y486	E378-K386 WeakPolarHBondContact CA-O 3.41Å; R379-K386 PolarHBondContact N-O 3.01Å; R379-K386 PolarHBondContact O-N 2.74Å; F381-K386 HydrophobicContact CD2-CB 3.97Å; F381-K386 HydrophobicContact CD2-CD 4.03Å; F381-K386 HydrophobicContact CD2-CG 4Å; F381-K386 HydrophobicContact CE2-CB 3.94Å; F381-K386 HydrophobicContact CE2-CD 4.38Å; F381-K386 HydrophobicContact CE2-CG 4.42Å; I384-K386 HydrophobicContact CG2-CG 3.96Å; I384-K386 PolarHBondContact O-N 2.97Å; K386-K480 VanDerWaalsContact CE-O 3.28Å; K386-K480 WeakPolarHBondContact CE-O 3.38Å; K386-K480 HydrophobicContact CG-CG 4.35Å; K386-K480 PolarHBondContact NZ-O 3.41Å; K386-Y481 HydrophobicContact CB-CE1 4.07Å; K386-H483 PolarHBondContact NZ-O 3.01Å; K386-A484 PolarHBondContact NZ-O 3.05Å; K386-Y486 PolarHBondContact NZ-O 3.29Å
387	M	89.8	Confident	77	Confident	11 Å²	11	72 Å²	72	5%	0.054	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.7	165.7	-58.1	-52.6	-67.8	0	0	109.6	L376 V377 E378 I459 K460 H461 A465 F469 Y481	L376-M387 HydrophobicContact CB-CE 4.21Å; V377-M387 CarbonylContact O-C 3.58Å; V377-M387 WeakPolarHBondContact O-CA 3.33Å; E378-M387 HydrophobicContact CB-CE 4.16Å; E378-M387 HydrophobicContact CB-SD 3.47Å; E378-M387 WeakPolarHBondContact CB-SD 3.22Å; E378-M387 HydrophobicContact CG-SD 3.78Å; M387-I459 HydrophobicContact CE-CG2 3.93Å; M387-K460 HydrophobicContact CG-CB 4.06Å; M387-K460 HydrophobicContact CG-CD 4.42Å; M387-K460 HydrophobicContact CG-CG 4.26Å; M387-K460 WeakPolarHBondContact CG-O 3.34Å; M387-K460 HydrophobicContact SD-CB 4.19Å; M387-K460 HydrophobicContact SD-CD 4.09Å; M387-K460 HydrophobicContact SD-CG 4.48Å; M387-H461 HydrophobicContact CG-CB 4.42Å; M387-A465 HydrophobicContact CB-CB 4.41Å; M387-F469 WeakPolarHBondContact O-CE2 3.37Å; M387-Y481 PolarHBondContact N-OH 3.19Å; M387-Y481 VanDerWaalsContact N-OH 3.09Å; M387-Y481 VanDerWaalsContact O-CE1 3.28Å; M387-Y481 WeakPolarHBondContact O-CE1 3.31Å
388	C	83.3	Confident	75.8	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	171.3	178	64.8	0	0	0	0	111.1	L376 V377 L392 F469	L376-C388 WeakPolarHBondContact CA-O 3.48Å; V377-C388 WeakPolarHBondContact CG2-O 3.4Å; V377-C388 PolarHBondContact N-O 2.7Å; V377-C388 PolarHBondContact O-N 2.72Å; C388-L392 HydrophobicContact CB-CD2 4.04Å; C388-F469 HydrophobicContact CB-CE2 4.18Å; C388-F469 HydrophobicContact CB-CZ 4.4Å
389	T	79.1	Confident	74.7	Confident	10 Å²	10	73 Å²	73	6%	0.061	36%	0.355	C	S	.	.			trans	-65.6	148.8	168.9	52	0	0	0	0	111.3	L374 P375 R379 Q391 Q397	L374-T389 HydrophobicContact CB-CG2 4.08Å; L374-T389 HydrophobicContact CD1-CG2 4.22Å; L374-T389 HydrophobicContact CD2-CG2 4.29Å; L374-T389 HydrophobicContact CG-CG2 4.44Å; P375-T389 WeakPolarHBondContact O-CA 3.38Å; R379-T389 PolarHBondContact NH1-O 2.93Å; T389-Q391 PolarHBondContact O-N 3Å; T389-Q391 VanDerWaalsContact O-N 3.13Å; T389-Q391 PolarHBondContact OG1-O 2.92Å; T389-Q397 WeakPolarHBondContact OG1-CG 3.49Å; T389-Q397 PolarHBondContact OG1-NE2 3.1Å
390	P	75.5	Confident	73.3	Confident	54 Å²	54	70.8 Å²	70.8	35%	0.351	35%	0.352	S	S	.	.	S	Bend	trans	-54.8	-29.8	174.7	-27.9	34.3	0	0	0	113.6	P375 V377 R379	P375-P390 HydrophobicContact CB-CG 4.22Å; P375-P390 HydrophobicContact CG-CG 4.15Å; P375-P390 VanDerWaalsContact O-CD 3.27Å; P375-P390 WeakPolarHBondContact O-CD 3.3Å; V377-P390 HydrophobicContact CG1-CG 4.13Å; V377-P390 HydrophobicContact CG2-CB 4.5Å; V377-P390 HydrophobicContact CG2-CG 4.21Å; R379-P390 PolarHBondContact NH1-O 3.34Å; R379-P390 PolarHBondContact NH2-O 2.75Å
391	Q	67.1	Low	71.9	Confident	107 Å²	107	65.7 Å²	65.7	50%	0.5	33%	0.325	S	S	.	.			trans	-103	116.3	171.8	-61.7	-179.3	7.6	0	0	109.3	T389 L396 Q397	T389-Q391 PolarHBondContact O-N 3Å; T389-Q391 VanDerWaalsContact O-N 3.13Å; T389-Q391 PolarHBondContact OG1-O 2.92Å; Q391-L396 VanDerWaalsContact OE1-CD1 3.32Å; Q391-Q397 WeakPolarHBondContact O-CG 3.28Å; Q391-Q397 PolarHBondContact O-NE2 3.32Å
392	L	60.3	Low	71	Confident	63 Å²	63	69.9 Å²	69.9	33%	0.33	34%	0.343	S	S	.	.			trans	-86.9	-7.7	179.7	-84.5	160.3	0	0	0	113.9	F381 C388 R394	F381-L392 HydrophobicContact CE1-CD1 3.65Å; F381-L392 HydrophobicContact CE1-CD2 3.93Å; F381-L392 HydrophobicContact CE1-CG 4.45Å; F381-L392 HydrophobicContact CZ-CD1 3.65Å; F381-L392 HydrophobicContact CZ-CD2 3.66Å; F381-L392 HydrophobicContact CZ-CG 4.26Å; C388-L392 HydrophobicContact CB-CD2 4.04Å; L392-R394 PolarHBondContact O-N 3.18Å
393	N	64	Low	70	Confident	89 Å²	89	69 Å²	69	48%	0.476	33%	0.334	S	S	.	.			trans	-64	109.6	176.4	178.3	-20.5	0	0	0	108.8	R395 L396 Q397	N393-R395 PolarHBondContact O-N 2.79Å; N393-R395 VanDerWaalsContact O-N 3.09Å; N393-R395 WeakPolarHBondContact OD1-CB 3.4Å; N393-R395 PolarHBondContact OD1-N 3.08Å; N393-L396 HydrophobicContact CB-CB 4.08Å; N393-L396 HydrophobicContact CB-CD1 3.91Å; N393-L396 HydrophobicContact CB-CG 4.01Å; N393-L396 CarbonylContact O-C 3.57Å; N393-L396 WeakPolarHBondContact O-CA 3.43Å; N393-L396 WeakPolarHBondContact O-CB 3.3Å; N393-L396 PolarHBondContact O-N 3.14Å; N393-L396 PolarHBondContact OD1-N 3.42Å; N393-Q397 PolarHBondContact O-N 3.06Å
394	R	63.6	Low	68.8	Low	171 Å²	171	67.8 Å²	67.8	65%	0.645	31%	0.314	S	S	*	.	H	α-helix	trans	-50.5	-35.4	-179.7	179.4	179.1	169.5	165.5	4.7	113.4	L392 Q397 E398	L392-R394 PolarHBondContact O-N 3.18Å; R394-Q397 PolarHBondContact O-N 3.3Å; R394-E398 HydrophobicContact CG-CG 4.48Å; R394-E398 WeakPolarHBondContact CG-OE1 3.41Å; R394-E398 IonicContact CZ-OE1 2.93Å; R394-E398 IonicContact NE-OE1 3.45Å; R394-E398 PolarHBondContact NE-OE1 2.86Å; R394-E398 IonicContact NH2-OE1 2.65Å; R394-E398 PolarHBondContact NH2-OE1 3.18Å; R394-E398 WeakPolarHBondContact O-CB 3.26Å; R394-E398 WeakPolarHBondContact O-CG 3.36Å; R394-E398 PolarHBondContact O-N 3.33Å
395	R	64.5	Low	67.5	Low	188 Å²	188	66.5 Å²	66.5	71%	0.709	31%	0.307	S	S	*	.	H	α-helix	trans	-70.9	-37	177	-172.4	178.7	179.3	178.5	0.3	111.9	N393 L399	N393-R395 PolarHBondContact O-N 2.79Å; N393-R395 VanDerWaalsContact O-N 3.09Å; N393-R395 WeakPolarHBondContact OD1-CB 3.4Å; N393-R395 PolarHBondContact OD1-N 3.08Å; R395-L399 HydrophobicContact CG-CD1 4.27Å; R395-L399 WeakPolarHBondContact O-CB 3.47Å; R395-L399 WeakPolarHBondContact O-CD1 3.41Å; R395-L399 WeakPolarHBondContact O-CG 3.26Å; R395-L399 PolarHBondContact O-N 3.07Å
396	L	61	Low	65.9	Low	65 Å²	65	64 Å²	64	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-71	-38.8	172.8	-64.4	176.1	0	0	0	110.8	Q391 N393 L399 T400	Q391-L396 VanDerWaalsContact OE1-CD1 3.32Å; N393-L396 HydrophobicContact CB-CB 4.08Å; N393-L396 HydrophobicContact CB-CD1 3.91Å; N393-L396 HydrophobicContact CB-CG 4.01Å; N393-L396 CarbonylContact O-C 3.57Å; N393-L396 WeakPolarHBondContact O-CA 3.43Å; N393-L396 WeakPolarHBondContact O-CB 3.3Å; N393-L396 PolarHBondContact O-N 3.14Å; N393-L396 PolarHBondContact OD1-N 3.42Å; L396-L399 HydrophobicContact CD2-CD1 4.38Å; L396-L399 PolarHBondContact O-N 3.27Å; L396-T400 WeakPolarHBondContact O-CB 3.41Å; L396-T400 PolarHBondContact O-N 3.03Å; L396-T400 PolarHBondContact O-OG1 2.99Å
397	Q	59.4	Low	64	Low	10 Å²	10	65.9 Å²	65.9	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-57.3	-54.2	169.5	-68.8	177.3	-10.1	0	0	110.8	T389 Q391 N393 R394 L399 T400 C401	T389-Q397 WeakPolarHBondContact OG1-CG 3.49Å; T389-Q397 PolarHBondContact OG1-NE2 3.1Å; Q391-Q397 WeakPolarHBondContact O-CG 3.28Å; Q391-Q397 PolarHBondContact O-NE2 3.32Å; N393-Q397 PolarHBondContact O-N 3.06Å; R394-Q397 PolarHBondContact O-N 3.3Å; Q397-L399 PolarHBondContact O-N 3.21Å; Q397-T400 PolarHBondContact O-N 2.85Å; Q397-C401 WeakPolarHBondContact O-CB 3.28Å; Q397-C401 PolarHBondContact O-N 2.8Å; Q397-C401 PolarHBondContact O-SG 3.09Å
398	E	62.6	Low	62.2	Low	51 Å²	51	66.9 Å²	66.9	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-32.3	177.3	-78.1	172.1	-162.6	0	0	112.9	R394 K402 H472	R394-E398 HydrophobicContact CG-CG 4.48Å; R394-E398 WeakPolarHBondContact CG-OE1 3.41Å; R394-E398 IonicContact CZ-OE1 2.93Å; R394-E398 IonicContact NE-OE1 3.45Å; R394-E398 PolarHBondContact NE-OE1 2.86Å; R394-E398 IonicContact NH2-OE1 2.65Å; R394-E398 PolarHBondContact NH2-OE1 3.18Å; R394-E398 WeakPolarHBondContact O-CB 3.26Å; R394-E398 WeakPolarHBondContact O-CG 3.36Å; R394-E398 PolarHBondContact O-N 3.33Å; E398-K402 WeakPolarHBondContact O-CB 3.23Å; E398-K402 VanDerWaalsContact O-CD 3.25Å; E398-K402 WeakPolarHBondContact O-CD 3.38Å; E398-K402 WeakPolarHBondContact O-CG 3.44Å; E398-K402 PolarHBondContact O-N 2.95Å; E398-K402 VanDerWaalsContact O-N 3.14Å; E398-H472 VanDerWaalsContact CG-NE2 3.34Å; E398-H472 WeakPolarHBondContact CG-NE2 3.49Å
399	L	66	Low	60.5	Low	74 Å²	74	72.9 Å²	72.9	39%	0.387	35%	0.351	S	S	.	.	H	α-helix	trans	-75.8	-51.1	174.9	-75.1	166.3	0	0	0	112.2	R395 L396 Q397 C401 K402 Q403	R395-L399 HydrophobicContact CG-CD1 4.27Å; R395-L399 WeakPolarHBondContact O-CB 3.47Å; R395-L399 WeakPolarHBondContact O-CD1 3.41Å; R395-L399 WeakPolarHBondContact O-CG 3.26Å; R395-L399 PolarHBondContact O-N 3.07Å; L396-L399 HydrophobicContact CD2-CD1 4.38Å; L396-L399 PolarHBondContact O-N 3.27Å; Q397-L399 PolarHBondContact O-N 3.21Å; L399-C401 PolarHBondContact O-N 2.87Å; L399-K402 CarbonylContact O-C 3.55Å; L399-K402 PolarHBondContact O-N 2.95Å; L399-Q403 WeakPolarHBondContact O-CB 3.45Å; L399-Q403 VanDerWaalsContact O-CG 3.25Å; L399-Q403 WeakPolarHBondContact O-CG 3.33Å; L399-Q403 PolarHBondContact O-N 3.23Å
400	T	58.8	Low	59	Low	42 Å²	42	78.7 Å²	78.7	26%	0.258	38%	0.382	S	S	.	.	H	α-helix	trans	-56.7	-42.3	174.2	-58.7	0	0	0	0	110.1	L374 L396 Q397 Q403 T404	L374-T400 HydrophobicContact CD2-CG2 3.85Å; L396-T400 WeakPolarHBondContact O-CB 3.41Å; L396-T400 PolarHBondContact O-N 3.03Å; L396-T400 PolarHBondContact O-OG1 2.99Å; Q397-T400 PolarHBondContact O-N 2.85Å; T400-Q403 CarbonylContact O-C 3.59Å; T400-Q403 WeakPolarHBondContact O-CA 3.48Å; T400-Q403 WeakPolarHBondContact O-CB 3.49Å; T400-Q403 PolarHBondContact O-N 2.74Å; T400-T404 HydrophobicContact CG2-CG2 3.88Å; T400-T404 WeakPolarHBondContact O-CB 3.16Å; T400-T404 WeakPolarHBondContact O-CG2 3.43Å; T400-T404 PolarHBondContact O-N 2.9Å; T400-T404 PolarHBondContact O-OG1 3.09Å
401	C	56.6	Low	57.6	Low	2 Å²	2	85.5 Å²	85.5	1%	0.014	41%	0.409	C	S	.	.	H	α-helix	trans	-64.8	-43.4	177.9	-64	0	0	0	0	111.2	Q397 L399 Q403 T404 Q405 F469 G470	Q397-C401 WeakPolarHBondContact O-CB 3.28Å; Q397-C401 PolarHBondContact O-N 2.8Å; Q397-C401 PolarHBondContact O-SG 3.09Å; L399-C401 PolarHBondContact O-N 2.87Å; C401-Q403 PolarHBondContact O-N 2.8Å; C401-T404 PolarHBondContact O-N 3.09Å; C401-Q405 WeakPolarHBondContact O-CA 3.48Å; C401-Q405 WeakPolarHBondContact O-CB 3.39Å; C401-Q405 VanDerWaalsContact O-CG 3.31Å; C401-Q405 WeakPolarHBondContact O-CG 3.34Å; C401-Q405 PolarHBondContact O-N 3.24Å; C401-F469 PolarHBondContact SG-O 3.48Å; C401-F469 VanDerWaalsContact SG-O 3.34Å; C401-G470 VanDerWaalsContact SG-CA 3.58Å
402	K	63.1	Low	56.6	Low	116 Å²	116	84.2 Å²	84.2	50%	0.504	42%	0.416	S	S	.	.	H	α-helix	trans	-64.8	-17.3	171	-71.2	164.7	-167.8	168.6	0	114.2	E398 L399	E398-K402 WeakPolarHBondContact O-CB 3.23Å; E398-K402 VanDerWaalsContact O-CD 3.25Å; E398-K402 WeakPolarHBondContact O-CD 3.38Å; E398-K402 WeakPolarHBondContact O-CG 3.44Å; E398-K402 PolarHBondContact O-N 2.95Å; E398-K402 VanDerWaalsContact O-N 3.14Å; L399-K402 CarbonylContact O-C 3.55Å; L399-K402 PolarHBondContact O-N 2.95Å
403	Q	60.2	Low	55.9	Low	145 Å²	145	86.5 Å²	86.5	68%	0.678	43%	0.429	S	S	*	.	H	α-helix	trans	-96.8	-26.9	178.1	-71.5	168.7	-18	0	0	113.1	L399 T400 C401	L399-Q403 WeakPolarHBondContact O-CB 3.45Å; L399-Q403 VanDerWaalsContact O-CG 3.25Å; L399-Q403 WeakPolarHBondContact O-CG 3.33Å; L399-Q403 PolarHBondContact O-N 3.23Å; T400-Q403 CarbonylContact O-C 3.59Å; T400-Q403 WeakPolarHBondContact O-CA 3.48Å; T400-Q403 WeakPolarHBondContact O-CB 3.49Å; T400-Q403 PolarHBondContact O-N 2.74Å; C401-Q403 PolarHBondContact O-N 2.8Å
404	T	54.7	Low	55.1	Low	36 Å²	36	91.8 Å²	91.8	22%	0.221	45%	0.451	C	S	.	.	H	α-helix	trans	-111.6	-18.1	-175.9	66.2	0	0	0	0	113.8	Q373 T400 C401 L406	Q373-T404 PolarHBondContact O-OG1 3.32Å; T400-T404 HydrophobicContact CG2-CG2 3.88Å; T400-T404 WeakPolarHBondContact O-CB 3.16Å; T400-T404 WeakPolarHBondContact O-CG2 3.43Å; T400-T404 PolarHBondContact O-N 2.9Å; T400-T404 PolarHBondContact O-OG1 3.09Å; C401-T404 PolarHBondContact O-N 3.09Å; T404-L406 VanDerWaalsContact C-N 3.26Å; T404-L406 PolarHBondContact O-N 3.13Å; T404-L406 VanDerWaalsContact O-N 3.11Å
405	Q	54.6	Low	54.5	Low	17 Å²	17	88.5 Å²	88.5	8%	0.079	44%	0.439	C	S	.	.			trans	-72.9	93.2	151.9	-66.9	156.6	3.8	0	0	106.2	C401 D407 G470 L471	C401-Q405 WeakPolarHBondContact O-CA 3.48Å; C401-Q405 WeakPolarHBondContact O-CB 3.39Å; C401-Q405 VanDerWaalsContact O-CG 3.31Å; C401-Q405 WeakPolarHBondContact O-CG 3.34Å; C401-Q405 PolarHBondContact O-N 3.24Å; Q405-D407 PolarHBondContact O-N 3.04Å; Q405-G470 PolarHBondContact NE2-O 3.49Å; Q405-L471 HydrophobicContact CG-CD2 4.3Å
406	L	52.3	Low	54	Low	92 Å²	92	84.5 Å²	84.5	48%	0.482	43%	0.432	S	S	.	.			trans	-70.3	84.2	145.1	-77.1	160.5	0	0	0	105.7	Y371 T404 I408	Y371-L406 HydrophobicContact CE1-CB 4.05Å; Y371-L406 WeakPolarHBondContact OH-CD1 3.33Å; T404-L406 VanDerWaalsContact C-N 3.26Å; T404-L406 PolarHBondContact O-N 3.13Å; T404-L406 VanDerWaalsContact O-N 3.11Å; L406-I408 VanDerWaalsContact C-N 3.34Å; L406-I408 PolarHBondContact O-N 2.92Å; L406-I408 VanDerWaalsContact O-N 3.11Å
407	D	48	Very low	53.6	Low	41 Å²	41	83.7 Å²	83.7	22%	0.219	43%	0.43	C	S	.	.	B	Isolated β-bridge	trans	-43.7	110.3	142	-78.1	-28.1	0	0	0	104.8	S367 Q405 D409	S367-D407 VanDerWaalsContact CB-OD1 3.28Å; S367-D407 WeakPolarHBondContact CB-OD1 3.44Å; S367-D407 WeakPolarHBondContact OG-CB 3.06Å; S367-D407 PolarHBondContact OG-OD1 3.26Å; Q405-D407 PolarHBondContact O-N 3.04Å; D407-D409 PolarHBondContact O-N 3.26Å
408	I	51.9	Low	53.5	Low	31 Å²	31	88.9 Å²	88.9	16%	0.159	46%	0.462	C	S	.	.			trans	-77.4	88.9	178.9	-61.6	175.4	0	0	0	105.1	Y369 L406 N410	Y369-I408 HydrophobicContact CD2-CB 4.42Å; Y369-I408 HydrophobicContact CD2-CD1 4.08Å; Y369-I408 HydrophobicContact CE2-CB 3.7Å; Y369-I408 HydrophobicContact CE2-CD1 3.79Å; Y369-I408 HydrophobicContact CE2-CG1 4.26Å; Y369-I408 HydrophobicContact CE2-CG2 3.89Å; L406-I408 VanDerWaalsContact C-N 3.34Å; L406-I408 PolarHBondContact O-N 2.92Å; L406-I408 VanDerWaalsContact O-N 3.11Å; I408-N410 PolarHBondContact O-N 3.29Å; I408-N410 VanDerWaalsContact O-N 3.09Å
409	D	47.1	Very low	54.1	Low	126 Å²	126	89.5 Å²	89.5	67%	0.674	47%	0.467	S	S	*	.			trans	-51.1	118.9	169.9	-69.5	-35.6	0	0	0	107.4	D407 E411	D407-D409 PolarHBondContact O-N 3.26Å; D409-E411 PolarHBondContact O-N 2.88Å
410	N	48.2	Very low	54.8	Low	133 Å²	133	86 Å²	86	71%	0.711	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	0.8	-164.6	-73.3	-55.8	0	0	0	115.4	Y369 I408	Y369-N410 WeakPolarHBondContact CE1-OD1 3.29Å; Y369-N410 PolarHBondContact OH-OD1 3.22Å; I408-N410 PolarHBondContact O-N 3.29Å; I408-N410 VanDerWaalsContact O-N 3.09Å
411	E	44.8	Very low	56.1	Low	197 Å²	197	84.5 Å²	84.5	92%	0.921	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-10.4	-165.1	-59.5	-171	155.6	0	0	114.6	D409	D409-E411 PolarHBondContact O-N 2.88Å
412	A	47.3	Very low	57.4	Low	79 Å²	79	87.2 Å²	87.2	65%	0.653	46%	0.455	S	S	*	.	S	Bend	trans	-125.1	-20.1	-165.3	0	0	0	0	0	117.9
413	N	46.4	Very low	58.4	Low	111 Å²	111	82.2 Å²	82.2	59%	0.594	44%	0.435	S	S	*	.			trans	-145.3	112	175.4	-76.7	-73.7	0	0	0	111.4	Y415	N413-Y415 HydrophobicContact CB-CD2 3.88Å; N413-Y415 HydrophobicContact CB-CE2 4.12Å; N413-Y415 PolarHBondContact O-N 2.89Å
414	E	46.1	Very low	59.6	Low	201 Å²	201	75.3 Å²	75.3	94%	0.939	40%	0.402	S	S	*	.			trans	-73.1	67.7	169.5	-168.1	178.2	-168.2	0	0	110.2
415	Y	51	Low	61.1	Low	102 Å²	102	77.6 Å²	77.6	40%	0.4	41%	0.408	S	S	.	.			trans	-70.1	126.9	157.7	-84.5	-89.2	0	0	0	107.5	N413 V417 V423	N413-Y415 HydrophobicContact CB-CD2 3.88Å; N413-Y415 HydrophobicContact CB-CE2 4.12Å; N413-Y415 PolarHBondContact O-N 2.89Å; Y415-V417 PolarHBondContact O-N 3.3Å; Y415-V423 HydrophobicContact CD1-CG2 3.79Å; Y415-V423 HydrophobicContact CE1-CG2 4.35Å; Y415-V423 HydrophobicContact CG-CG2 4.5Å
416	D	53.3	Low	62.5	Low	103 Å²	103	79.9 Å²	79.9	55%	0.551	42%	0.42	S	S	*	.			trans	-61	104.3	168.9	-173.6	-16.8	0	0	0	108.5	T418 D419	D416-T418 PolarHBondContact O-N 3.3Å; D416-T418 VanDerWaalsContact OD1-CB 3.25Å; D416-T418 WeakPolarHBondContact OD1-CB 3.47Å; D416-T418 VanDerWaalsContact OD1-CG2 3.31Å; D416-T418 WeakPolarHBondContact OD1-CG2 3.43Å; D416-T418 PolarHBondContact OD1-N 2.77Å; D416-T418 PolarHBondContact OD1-OG1 3.49Å; D416-T418 PolarHBondContact OD2-OG1 3.13Å; D416-D419 PolarHBondContact O-N 3.07Å
417	V	53.9	Low	64	Low	49 Å²	49	77.7 Å²	77.7	30%	0.297	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.8	-178.4	-173.3	0	0	0	0	111.3	Y369 Y415 W438	Y369-V417 HydrophobicContact CD1-CG1 4.35Å; Y369-V417 HydrophobicContact CD2-CG1 3.97Å; Y369-V417 HydrophobicContact CD2-CG2 4.08Å; Y369-V417 HydrophobicContact CE1-CG2 4.34Å; Y369-V417 HydrophobicContact CE2-CG1 4.45Å; Y369-V417 HydrophobicContact CE2-CG2 3.72Å; Y369-V417 HydrophobicContact CG-CG1 3.92Å; Y415-V417 PolarHBondContact O-N 3.3Å; V417-W438 HydrophobicContact CG1-CZ2 4.22Å; V417-W438 WeakPolarHBondContact O-CZ2 3.07Å
418	T	57	Low	65.6	Low	118 Å²	118	75.9 Å²	75.9	72%	0.724	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-26.7	174.1	74	0	0	0	0	114	D416 A420	D416-T418 PolarHBondContact O-N 3.3Å; D416-T418 VanDerWaalsContact OD1-CB 3.25Å; D416-T418 WeakPolarHBondContact OD1-CB 3.47Å; D416-T418 VanDerWaalsContact OD1-CG2 3.31Å; D416-T418 WeakPolarHBondContact OD1-CG2 3.43Å; D416-T418 PolarHBondContact OD1-N 2.77Å; D416-T418 PolarHBondContact OD1-OG1 3.49Å; D416-T418 PolarHBondContact OD2-OG1 3.13Å; T418-A420 PolarHBondContact O-N 3.19Å
419	D	74.2	Confident	67.1	Low	64 Å²	64	82.9 Å²	82.9	34%	0.342	42%	0.422	S	S	.	.			trans	-99.2	72.8	-179	-167.1	12	0	0	0	114.6	D416 F421 T422 V423	D416-D419 PolarHBondContact O-N 3.07Å; D419-F421 PolarHBondContact O-N 3.3Å; D419-F421 VanDerWaalsContact O-N 3.16Å; D419-F421 WeakPolarHBondContact OD1-CA 3.32Å; D419-F421 WeakPolarHBondContact OD1-CB 3.34Å; D419-F421 PolarHBondContact OD1-N 3.35Å; D419-T422 PolarHBondContact O-N 2.79Å; D419-T422 PolarHBondContact OD1-N 3.09Å; D419-T422 WeakPolarHBondContact OD2-CB 3.39Å; D419-T422 PolarHBondContact OD2-OG1 3.45Å; D419-V423 PolarHBondContact O-N 2.78Å
420	A	82.3	Confident	68.8	Low	2 Å²	2	81.5 Å²	81.5	2%	0.017	42%	0.418	C	S	.	.	H	α-helix	trans	-59.8	-17.6	168.5	0	0	0	0	0	114.2	K354 T418 L424 W438	K354-A420 HydrophobicContact CD-CB 4.45Å; T418-A420 PolarHBondContact O-N 3.19Å; A420-L424 WeakPolarHBondContact O-CB 3.19Å; A420-L424 VanDerWaalsContact O-CD1 3.27Å; A420-L424 WeakPolarHBondContact O-CD1 3.21Å; A420-L424 WeakPolarHBondContact O-CG 3.39Å; A420-L424 PolarHBondContact O-N 2.82Å; A420-W438 HydrophobicContact CB-CD2 3.51Å; A420-W438 HydrophobicContact CB-CE3 3.58Å; A420-W438 HydrophobicContact CB-CG 3.98Å; A420-W438 HydrophobicContact CB-CH2 4.09Å; A420-W438 HydrophobicContact CB-CZ2 4.09Å; A420-W438 HydrophobicContact CB-CZ3 3.87Å
421	F	85.2	Confident	70.3	Confident	9 Å²	9	77.6 Å²	77.6	4%	0.039	40%	0.397	C	S	.	.	H	α-helix	trans	-70.4	-54.8	178.2	-174.2	-77.8	0	0	0	110.2	K354 D419 V423 L424 Y425 L456 H522 P524	K354-F421 HydrophobicContact CB-CD2 3.93Å; K354-F421 HydrophobicContact CD-CB 4.18Å; D419-F421 PolarHBondContact O-N 3.3Å; D419-F421 VanDerWaalsContact O-N 3.16Å; D419-F421 WeakPolarHBondContact OD1-CA 3.32Å; D419-F421 WeakPolarHBondContact OD1-CB 3.34Å; D419-F421 PolarHBondContact OD1-N 3.35Å; F421-V423 PolarHBondContact O-N 3.13Å; F421-L424 PolarHBondContact O-N 2.9Å; F421-Y425 HydrophobicContact CE1-CD2 4.09Å; F421-Y425 HydrophobicContact CE1-CG 4.25Å; F421-Y425 HydrophobicContact CZ-CD2 4.34Å; F421-Y425 WeakPolarHBondContact O-CB 3.03Å; F421-Y425 PolarHBondContact O-N 3.13Å; F421-L456 HydrophobicContact CD2-CD2 4.05Å; F421-L456 HydrophobicContact CE2-CD2 3.86Å; F421-H522 AromaticContact CD1-CE1 3.9Å; F421-H522 AromaticContact CD1-ND1 3.47Å; F421-H522 WeakPolarHBondContact CD1-ND1 3.41Å; F421-H522 HydrophobicContact CD2-CB 4.02Å; F421-H522 AromaticContact CD2-ND1 3.8Å; F421-H522 AromaticContact CE1-CE1 3.77Å; F421-H522 AromaticContact CE1-ND1 3.19Å; F421-H522 WeakPolarHBondContact CE1-ND1 3.25Å; F421-H522 HydrophobicContact CE2-CB 3.79Å; F421-H522 AromaticContact CE2-ND1 3.54Å; F421-H522 AromaticContact CG-ND1 3.8Å; F421-H522 HydrophobicContact CZ-CB 4.3Å; F421-H522 AromaticContact CZ-ND1 3.24Å; F421-H522 WeakPolarHBondContact CZ-ND1 3.33Å; F421-P524 HydrophobicContact CE1-CB 4.29Å
422	T	83.8	Confident	72	Confident	59 Å²	59	74.7 Å²	74.7	36%	0.362	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-45.5	-177.7	-64	0	0	0	0	111	D419 L424 Y425 D426	D419-T422 PolarHBondContact O-N 2.79Å; D419-T422 PolarHBondContact OD1-N 3.09Å; D419-T422 WeakPolarHBondContact OD2-CB 3.39Å; D419-T422 PolarHBondContact OD2-OG1 3.45Å; T422-L424 VanDerWaalsContact C-N 3.34Å; T422-L424 PolarHBondContact O-N 2.77Å; T422-Y425 PolarHBondContact O-N 2.9Å; T422-Y425 VanDerWaalsContact O-N 3.16Å; T422-D426 WeakPolarHBondContact CG2-OD2 3.39Å; T422-D426 WeakPolarHBondContact O-CB 3.28Å; T422-D426 PolarHBondContact O-N 2.83Å
423	V	83.3	Confident	73.6	Confident	11 Å²	11	73 Å²	73	7%	0.067	37%	0.368	C	S	.	.	H	α-helix	trans	-57.2	-44.1	175.5	178.3	0	0	0	0	112.1	Y415 D419 F421 K427	Y415-V423 HydrophobicContact CD1-CG2 3.79Å; Y415-V423 HydrophobicContact CE1-CG2 4.35Å; Y415-V423 HydrophobicContact CG-CG2 4.5Å; D419-V423 PolarHBondContact O-N 2.78Å; F421-V423 PolarHBondContact O-N 3.13Å; V423-K427 HydrophobicContact CG1-CG 4.38Å; V423-K427 VanDerWaalsContact O-CB 3.3Å; V423-K427 WeakPolarHBondContact O-CB 3.29Å; V423-K427 WeakPolarHBondContact O-CG 3.28Å; V423-K427 PolarHBondContact O-N 3.07Å; V423-K427 VanDerWaalsContact O-N 3.16Å
424	L	86.8	Confident	75.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-44.1	177	-76.2	168.7	0	0	0	112	A420 F421 T422 M428 T436 W438 L456	A420-L424 WeakPolarHBondContact O-CB 3.19Å; A420-L424 VanDerWaalsContact O-CD1 3.27Å; A420-L424 WeakPolarHBondContact O-CD1 3.21Å; A420-L424 WeakPolarHBondContact O-CG 3.39Å; A420-L424 PolarHBondContact O-N 2.82Å; F421-L424 PolarHBondContact O-N 2.9Å; T422-L424 VanDerWaalsContact C-N 3.34Å; T422-L424 PolarHBondContact O-N 2.77Å; L424-M428 WeakPolarHBondContact O-CB 3.22Å; L424-M428 WeakPolarHBondContact O-CG 3.28Å; L424-M428 PolarHBondContact O-N 3.17Å; L424-T436 HydrophobicContact CD2-CG2 3.8Å; L424-W438 HydrophobicContact CD1-CB 4.32Å; L424-W438 HydrophobicContact CD2-CB 3.87Å; L424-W438 HydrophobicContact CG-CB 3.94Å; L424-L456 HydrophobicContact CB-CD1 3.69Å; L424-L456 HydrophobicContact CB-CG 3.76Å; L424-L456 HydrophobicContact CD1-CG 4.06Å; L424-L456 HydrophobicContact CG-CG 4.5Å
425	Y	85.6	Confident	77.5	Confident	84 Å²	84	61.9 Å²	61.9	33%	0.329	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-49.2	-176.5	-167.2	-94.7	0	0	0	111.4	F421 T422 M428 R429 L456 P524	F421-Y425 HydrophobicContact CE1-CD2 4.09Å; F421-Y425 HydrophobicContact CE1-CG 4.25Å; F421-Y425 HydrophobicContact CZ-CD2 4.34Å; F421-Y425 WeakPolarHBondContact O-CB 3.03Å; F421-Y425 PolarHBondContact O-N 3.13Å; T422-Y425 PolarHBondContact O-N 2.9Å; T422-Y425 VanDerWaalsContact O-N 3.16Å; Y425-M428 PolarHBondContact O-N 3.31Å; Y425-R429 WeakPolarHBondContact O-CB 3.33Å; Y425-R429 PolarHBondContact O-N 3.17Å; Y425-L456 HydrophobicContact CD2-CD1 4.24Å; Y425-P524 HydrophobicContact CD2-CB 4.44Å; Y425-P524 HydrophobicContact CD2-CG 4.5Å; Y425-P524 HydrophobicContact CE1-CB 4.27Å; Y425-P524 HydrophobicContact CE2-CB 4Å; Y425-P524 HydrophobicContact CE2-CG 3.74Å
426	D	84.4	Confident	79.4	Confident	65 Å²	65	57.1 Å²	57.1	35%	0.348	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-48.2	179.5	-70.1	-19.5	0	0	0	111.5	T422 M428 R429 T430	T422-D426 WeakPolarHBondContact CG2-OD2 3.39Å; T422-D426 WeakPolarHBondContact O-CB 3.28Å; T422-D426 PolarHBondContact O-N 2.83Å; D426-M428 VanDerWaalsContact C-N 3.3Å; D426-M428 PolarHBondContact O-N 3.32Å; D426-R429 WeakPolarHBondContact O-CB 3.5Å; D426-R429 PolarHBondContact O-N 2.95Å; D426-R429 VanDerWaalsContact O-N 3.11Å; D426-T430 WeakPolarHBondContact O-CG2 3.43Å; D426-T430 PolarHBondContact O-N 2.97Å; D426-T430 PolarHBondContact O-OG1 2.99Å
427	K	83.3	Confident	81.3	Confident	46 Å²	46	52.2 Å²	52.2	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-33.9	-179.1	-65.7	-65.4	178.4	170.8	0	112.6	Y371 V423 T430 N431 T436	Y371-K427 HydrophobicContact CE1-CD 3.99Å; Y371-K427 HydrophobicContact CE1-CG 4.22Å; Y371-K427 HydrophobicContact CE2-CD 4.14Å; Y371-K427 HydrophobicContact CE2-CG 4.31Å; Y371-K427 WeakPolarHBondContact OH-CD 3.42Å; Y371-K427 VanDerWaalsContact OH-CE 3.28Å; Y371-K427 WeakPolarHBondContact OH-CE 3.27Å; Y371-K427 PolarHBondContact OH-NZ 3.49Å; V423-K427 HydrophobicContact CG1-CG 4.38Å; V423-K427 VanDerWaalsContact O-CB 3.3Å; V423-K427 WeakPolarHBondContact O-CB 3.29Å; V423-K427 WeakPolarHBondContact O-CG 3.28Å; V423-K427 PolarHBondContact O-N 3.07Å; V423-K427 VanDerWaalsContact O-N 3.16Å; K427-T430 PolarHBondContact O-OG1 3.45Å; K427-N431 WeakPolarHBondContact O-CB 3.42Å; K427-N431 PolarHBondContact O-N 3.29Å; K427-N431 PolarHBondContact O-ND2 2.72Å; K427-T436 HydrophobicContact CB-CG2 4.33Å
428	M	82.7	Confident	83.1	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-69	-41.5	172.6	-73.8	-175.3	66	0	0	112	L424 Y425 D426 N431 N433 L456 T457	L424-M428 WeakPolarHBondContact O-CB 3.22Å; L424-M428 WeakPolarHBondContact O-CG 3.28Å; L424-M428 PolarHBondContact O-N 3.17Å; Y425-M428 PolarHBondContact O-N 3.31Å; D426-M428 VanDerWaalsContact C-N 3.3Å; D426-M428 PolarHBondContact O-N 3.32Å; M428-N431 PolarHBondContact O-N 3.48Å; M428-N433 WeakPolarHBondContact O-CA 3.33Å; M428-N433 PolarHBondContact O-N 2.86Å; M428-L456 HydrophobicContact SD-CB 3.86Å; M428-L456 HydrophobicContact SD-CD1 4.38Å; M428-T457 HydrophobicContact CE-CG2 3.25Å; M428-T457 HydrophobicContact SD-CG2 3.95Å
429	R	83.6	Confident	84.9	Confident	177 Å²	177	44.8 Å²	44.8	67%	0.668	22%	0.222	S	C	*	.	H	α-helix	trans	-62.8	-40.8	176.5	-177.5	179.7	170.9	89.4	3.6	112.3	Y425 D426 N431	Y425-R429 WeakPolarHBondContact O-CB 3.33Å; Y425-R429 PolarHBondContact O-N 3.17Å; D426-R429 WeakPolarHBondContact O-CB 3.5Å; D426-R429 PolarHBondContact O-N 2.95Å; D426-R429 VanDerWaalsContact O-N 3.11Å; R429-N431 VanDerWaalsContact C-N 3.32Å; R429-N431 PolarHBondContact O-N 2.81Å
430	T	82.4	Confident	85.7	Confident	97 Å²	97	43.4 Å²	43.4	60%	0.595	22%	0.215	S	C	*	.	H	α-helix	trans	-76.5	-14.5	180	57.9	0	0	0	0	114.3	D426 K427	D426-T430 WeakPolarHBondContact O-CG2 3.43Å; D426-T430 PolarHBondContact O-N 2.97Å; D426-T430 PolarHBondContact O-OG1 2.99Å; K427-T430 PolarHBondContact O-OG1 3.45Å
431	N	78.1	Confident	86.2	Confident	51 Å²	51	44 Å²	44	27%	0.273	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	45.5	-171.7	-63.7	-89.1	0	0	0	112.9	Q373 K427 M428 R429 N433 Q434	Q373-N431 PolarHBondContact NE2-OD1 2.75Å; Q373-N431 VanDerWaalsContact OE1-CG 3.26Å; Q373-N431 PolarHBondContact OE1-ND2 3.3Å; K427-N431 WeakPolarHBondContact O-CB 3.42Å; K427-N431 PolarHBondContact O-N 3.29Å; K427-N431 PolarHBondContact O-ND2 2.72Å; M428-N431 PolarHBondContact O-N 3.48Å; R429-N431 VanDerWaalsContact C-N 3.32Å; R429-N431 PolarHBondContact O-N 2.81Å; N431-N433 VanDerWaalsContact C-N 3.25Å; N431-N433 PolarHBondContact O-N 3.08Å; N431-N433 VanDerWaalsContact O-N 3.11Å; N431-Q434 WeakPolarHBondContact O-CB 3.3Å; N431-Q434 VanDerWaalsContact O-CG 3.26Å; N431-Q434 WeakPolarHBondContact O-CG 3.46Å; N431-Q434 PolarHBondContact O-N 3.4Å
432	N	82	Confident	86.6	Confident	136 Å²	136	45.2 Å²	45.2	73%	0.727	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	43.8	173.3	-60	-2.7	0	0	0	113.4	Q434	N432-Q434 PolarHBondContact O-N 2.78Å; N432-Q434 VanDerWaalsContact O-N 3.12Å
433	N	81	Confident	87.2	Confident	44 Å²	44	44.4 Å²	44.4	24%	0.235	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	20.1	178.9	-65.1	-27.8	0	0	0	115.9	C72 R351 M428 N431	C72-N433 PolarHBondContact SG-ND2 2.86Å; R351-N433 PolarHBondContact NH1-ND2 3.11Å; R351-N433 PolarHBondContact NH1-OD1 3.36Å; R351-N433 PolarHBondContact NH2-ND2 2.94Å; M428-N433 WeakPolarHBondContact O-CA 3.33Å; M428-N433 PolarHBondContact O-N 2.86Å; N431-N433 VanDerWaalsContact C-N 3.25Å; N431-N433 PolarHBondContact O-N 3.08Å; N431-N433 VanDerWaalsContact O-N 3.11Å
434	Q	85.2	Confident	87.8	Confident	67 Å²	67	48 Å²	48	31%	0.313	23%	0.232	S	C	.	.			trans	-53.4	147.2	176.7	-78.1	177.1	14.4	0	0	112.1	Q373 N431 N432 T436	Q373-Q434 HydrophobicContact CG-CB 4.01Å; N431-Q434 WeakPolarHBondContact O-CB 3.3Å; N431-Q434 VanDerWaalsContact O-CG 3.26Å; N431-Q434 WeakPolarHBondContact O-CG 3.46Å; N431-Q434 PolarHBondContact O-N 3.4Å; N432-Q434 PolarHBondContact O-N 2.78Å; N432-Q434 VanDerWaalsContact O-N 3.12Å; Q434-T436 PolarHBondContact O-N 2.81Å; Q434-T436 VanDerWaalsContact O-N 3.12Å; Q434-T436 PolarHBondContact O-OG1 2.95Å
435	P	88.9	Confident	88.2	Confident	12 Å²	12	52.4 Å²	52.4	8%	0.078	25%	0.253	C	S	.	.			trans	-60.1	119.2	176.1	24.2	-33.7	0	0	0	110.8	L374 L376 I459 Q462 H466	L374-P435 WeakPolarHBondContact O-CG 3.35Å; L376-P435 HydrophobicContact CG-CG 4.44Å; P435-I459 HydrophobicContact CB-CD1 3.72Å; P435-I459 HydrophobicContact CB-CG1 4.42Å; P435-I459 HydrophobicContact CG-CD1 3.83Å; P435-Q462 HydrophobicContact CB-CG 4.28Å; P435-H466 PolarHBondContact O-CE1 2.87Å; P435-H466 VanDerWaalsContact O-CE1 3.27Å
436	T	90.4	Very high	88.7	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131	178.4	-52	0	0	0	0	109.4	Y371 I372 L424 K427 Q434 Q462	Y371-T436 HydrophobicContact CD2-CG2 4.09Å; Y371-T436 HydrophobicContact CG-CG2 4.47Å; I372-T436 WeakPolarHBondContact O-CA 3.4Å; L424-T436 HydrophobicContact CD2-CG2 3.8Å; K427-T436 HydrophobicContact CB-CG2 4.33Å; Q434-T436 PolarHBondContact O-N 2.81Å; Q434-T436 VanDerWaalsContact O-N 3.12Å; Q434-T436 PolarHBondContact O-OG1 2.95Å; T436-Q462 PolarHBondContact O-NE2 2.66Å; T436-Q462 VanDerWaalsContact O-NE2 3.08Å
437	T	93	Very high	89.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	114.2	169.4	-60.4	0	0	0	0	108.4	Y371 I372 C453 T455 Q462 I463 H466	Y371-T437 CarbonylContact C-O 3.45Å; Y371-T437 WeakPolarHBondContact CA-O 3.44Å; I372-T437 PolarHBondContact N-O 2.93Å; I372-T437 PolarHBondContact O-N 2.66Å; T437-C453 HydrophobicContact CG2-CB 3.98Å; T437-T455 HydrophobicContact CG2-CG2 4.03Å; T437-T455 WeakPolarHBondContact OG1-CG2 3.14Å; T437-Q462 PolarHBondContact OG1-NE2 2.89Å; T437-I463 HydrophobicContact CG2-CG1 4.12Å; T437-H466 WeakPolarHBondContact CB-ND1 3.29Å; T437-H466 PolarHBondContact OG1-ND1 3.4Å
438	W	93.1	Very high	89.9	Confident	11 Å²	11	49.6 Å²	49.6	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	145	167.8	176.9	93.6	0	0	0	108.9	G370 V417 A420 L424 N440 L452 C453 S454	G370-W438 WeakPolarHBondContact O-CA 3.49Å; V417-W438 HydrophobicContact CG1-CZ2 4.22Å; V417-W438 WeakPolarHBondContact O-CZ2 3.07Å; A420-W438 HydrophobicContact CB-CD2 3.51Å; A420-W438 HydrophobicContact CB-CE3 3.58Å; A420-W438 HydrophobicContact CB-CG 3.98Å; A420-W438 HydrophobicContact CB-CH2 4.09Å; A420-W438 HydrophobicContact CB-CZ2 4.09Å; A420-W438 HydrophobicContact CB-CZ3 3.87Å; L424-W438 HydrophobicContact CD1-CB 4.32Å; L424-W438 HydrophobicContact CD2-CB 3.87Å; L424-W438 HydrophobicContact CG-CB 3.94Å; W438-N440 HydrophobicContact CH2-CB 3.39Å; W438-N440 HydrophobicContact CZ2-CB 3.93Å; W438-N440 HydrophobicContact CZ3-CB 3.72Å; W438-L452 HydrophobicContact CZ3-CD2 4.12Å; W438-L452 HydrophobicContact CZ3-CG 4.3Å; W438-C453 CarbonylContact O-C 3.51Å; W438-C453 WeakPolarHBondContact O-CA 3.32Å; W438-S454 PolarHBondContact N-O 3Å; W438-S454 PolarHBondContact O-N 2.94Å
439	Y	92.9	Very high	90.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.2	-179.9	72.9	-94.8	0	0	0	112.1	P365 Y369 G370 I372 M451 L452 L471	P365-Y439 HydrophobicContact CB-CE2 4.39Å; Y369-Y439 VanDerWaalsContact CA-O 3.31Å; Y369-Y439 WeakPolarHBondContact CA-O 3.27Å; Y369-Y439 WeakPolarHBondContact CB-O 3.45Å; G370-Y439 VanDerWaalsContact C-CD1 3.49Å; G370-Y439 VanDerWaalsContact C-CE1 3.41Å; G370-Y439 PolarHBondContact N-O 2.7Å; G370-Y439 WeakPolarHBondContact O-CD1 3.36Å; G370-Y439 PolarHBondContact O-N 2.83Å; I372-Y439 HydrophobicContact CD1-CD1 4.12Å; I372-Y439 HydrophobicContact CG1-CD1 3.9Å; I372-Y439 HydrophobicContact CG1-CE1 4.05Å; Y439-M451 HydrophobicContact CD2-CE 3.49Å; Y439-M451 VanDerWaalsContact CD2-CE 3.49Å; Y439-M451 HydrophobicContact CE2-CE 4.33Å; Y439-M451 HydrophobicContact CG-CE 4.15Å; Y439-L452 CarbonylContact C-O 3.6Å; Y439-L452 WeakPolarHBondContact CA-O 2.92Å; Y439-L471 HydrophobicContact CD1-CD1 3.93Å; Y439-L471 HydrophobicContact CD2-CD1 4.1Å; Y439-L471 HydrophobicContact CE1-CD1 3.92Å; Y439-L471 HydrophobicContact CE1-CD2 3.94Å; Y439-L471 HydrophobicContact CE1-CG 4.4Å; Y439-L471 HydrophobicContact CE2-CD1 4.07Å; Y439-L471 HydrophobicContact CE2-CD2 4.46Å; Y439-L471 HydrophobicContact CG-CD1 4.01Å
440	N	91.3	Very high	91.2	Very high	35 Å²	35	41 Å²	41	19%	0.187	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	129.4	172.7	-178.7	0.2	0	0	0	109.5	D368 W438 M451 L452	D368-N440 CarbonylContact O-C 3.55Å; D368-N440 PolarHBondContact O-OD1 2.92Å; W438-N440 HydrophobicContact CH2-CB 3.39Å; W438-N440 HydrophobicContact CZ2-CB 3.93Å; W438-N440 HydrophobicContact CZ3-CB 3.72Å; N440-M451 WeakPolarHBondContact O-CA 2.95Å; N440-L452 PolarHBondContact N-O 3.35Å; N440-L452 PolarHBondContact O-N 2.85Å
441	L	93.2	Very high	91.9	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.073	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.1	174.4	178.7	71.1	0	0	0	109.2	I364 P365 D368 D443 K444 A449 M451	I364-L441 HydrophobicContact CG2-CD2 4.36Å; P365-L441 HydrophobicContact CG-CB 4.45Å; P365-L441 HydrophobicContact CG-CD1 4.34Å; D368-L441 HydrophobicContact CB-CB 4.33Å; D368-L441 HydrophobicContact CB-CD2 4.48Å; D368-L441 VanDerWaalsContact O-CB 3.26Å; D368-L441 WeakPolarHBondContact O-CB 3.03Å; D368-L441 PolarHBondContact O-N 3.2Å; D368-L441 WeakPolarHBondContact OD1-CD2 3.34Å; L441-D443 WeakPolarHBondContact CD1-O 3.39Å; L441-K444 HydrophobicContact CD1-CB 4.36Å; L441-K444 HydrophobicContact CD2-CB 4.24Å; L441-K444 HydrophobicContact CD2-CD 3.7Å; L441-K444 HydrophobicContact CD2-CG 4.05Å; L441-A449 HydrophobicContact CD1-CB 3.31Å; L441-M451 HydrophobicContact CB-CE 4.28Å; L441-M451 HydrophobicContact CB-SD 3.98Å; L441-M451 HydrophobicContact CD1-SD 3.42Å; L441-M451 WeakPolarHBondContact CD1-SD 3.43Å; L441-M451 HydrophobicContact CG-SD 4.32Å
442	I	93.3	Very high	92.7	Very high	35 Å²	35	34.7 Å²	34.7	18%	0.179	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-42.8	178.5	-74.3	174.1	0	0	0	111.6	L358 L450 L452 P591 L594	L358-I442 HydrophobicContact CD1-CD1 3.65Å; I442-L450 HydrophobicContact CB-CB 4.33Å; I442-L450 HydrophobicContact CB-CD2 4.27Å; I442-L450 HydrophobicContact CB-CG 4.12Å; I442-L450 WeakPolarHBondContact CB-O 3.01Å; I442-L450 HydrophobicContact CG2-CD2 3.69Å; I442-L450 HydrophobicContact CG2-CG 4.1Å; I442-L450 PolarHBondContact N-O 3.42Å; I442-L452 HydrophobicContact CD1-CB 3.83Å; I442-L452 HydrophobicContact CG1-CB 4.33Å; I442-P591 HydrophobicContact CD1-CG 4.38Å; I442-P591 HydrophobicContact CG2-CB 4.4Å; I442-P591 HydrophobicContact CG2-CG 3.87Å; I442-L594 HydrophobicContact CD1-CD1 4.02Å
443	D	96	Very high	93.3	Very high	43 Å²	43	28.2 Å²	28.2	23%	0.23	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	154.6	-178	-166.5	13.4	0	0	0	110.6	L441 A449 L450 L588 K589	L441-D443 WeakPolarHBondContact CD1-O 3.39Å; D443-A449 CarbonylContact O-C 3.59Å; D443-A449 WeakPolarHBondContact O-CA 3.48Å; D443-L450 HydrophobicContact CB-CB 4.35Å; D443-L450 PolarHBondContact O-N 2.68Å; D443-L588 HydrophobicContact CB-CD2 4.04Å; D443-L588 WeakPolarHBondContact O-CD2 3.39Å; D443-L588 WeakPolarHBondContact OD2-CA 3.49Å; D443-K589 WeakPolarHBondContact OD2-CB 3.46Å; D443-K589 PolarHBondContact OD2-N 2.83Å
444	K	96	Very high	94	Very high	87 Å²	87	26.1 Å²	26.1	38%	0.378	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	125.5	-178.9	47	-178.7	156.3	-148.7	0	111.3	I364 D368 L441 A448	I364-K444 HydrophobicContact CD1-CB 3.98Å; I364-K444 HydrophobicContact CG1-CB 4.15Å; I364-K444 HydrophobicContact CG2-CB 4.1Å; I364-K444 HydrophobicContact CG2-CD 3.79Å; D368-K444 IonicContact OD1-NZ 2.65Å; D368-K444 PolarHBondContact OD1-NZ 3.27Å; D368-K444 IonicContact OD2-NZ 3.49Å; D368-K444 PolarHBondContact OD2-NZ 3.47Å; L441-K444 HydrophobicContact CD1-CB 4.36Å; L441-K444 HydrophobicContact CD2-CB 4.24Å; L441-K444 HydrophobicContact CD2-CD 3.7Å; L441-K444 HydrophobicContact CD2-CG 4.05Å; K444-A448 WeakPolarHBondContact CA-O 3.37Å
445	Q	96.4	Very high	94.5	Very high	92 Å²	92	23.1 Å²	23.1	43%	0.43	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	143.5	-179	-170.9	60.8	2.2	0	0	111.7	N447 A448 I586 L588	Q445-N447 VanDerWaalsContact C-N 3.3Å; Q445-N447 PolarHBondContact O-N 2.8Å; Q445-A448 PolarHBondContact N-O 3.06Å; Q445-A448 PolarHBondContact O-N 2.97Å; Q445-I586 WeakPolarHBondContact CG-O 3.39Å; Q445-L588 HydrophobicContact CB-CD2 3.99Å; Q445-L588 HydrophobicContact CB-CG 4.42Å
446	N	94.7	Very high	94.6	Very high	51 Å²	51	22.6 Å²	22.6	27%	0.273	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	30.3	172.2	-71	-45.8	0	0	0	116.6	A448 S495 V499 I586	N446-A448 VanDerWaalsContact C-N 3.33Å; N446-S495 PolarHBondContact O-OG 3.31Å; N446-V499 HydrophobicContact CB-CG2 4.08Å; N446-I586 HydrophobicContact CB-CG2 4.39Å; N446-I586 PolarHBondContact ND2-O 3.49Å
447	N	95.3	Very high	94.6	Very high	84 Å²	84	23.3 Å²	23.3	45%	0.449	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	30.6	-170.8	-60.8	-56	0	0	0	114.2	G363 Q445 P493 S495	G363-N447 PolarHBondContact N-O 3.23Å; Q445-N447 VanDerWaalsContact C-N 3.3Å; Q445-N447 PolarHBondContact O-N 2.8Å; N447-P493 HydrophobicContact CB-CB 4.29Å; N447-P493 HydrophobicContact CB-CG 3.69Å; N447-S495 PolarHBondContact ND2-OG 2.82Å
448	A	97.7	Very high	94.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.7	165.4	0	0	0	0	0	110.1	I360 T361 K444 Q445 N446 L496 I586 L588	I360-A448 HydrophobicContact CG2-CB 4.2Å; T361-A448 WeakPolarHBondContact O-CA 3.47Å; T361-A448 VanDerWaalsContact O-CB 3.3Å; T361-A448 WeakPolarHBondContact O-CB 3.41Å; K444-A448 WeakPolarHBondContact CA-O 3.37Å; Q445-A448 PolarHBondContact N-O 3.06Å; Q445-A448 PolarHBondContact O-N 2.97Å; N446-A448 VanDerWaalsContact C-N 3.33Å; A448-L496 HydrophobicContact CB-CD1 3.98Å; A448-L496 HydrophobicContact CB-CD2 4.23Å; A448-I586 HydrophobicContact CB-CD1 4.47Å; A448-I586 HydrophobicContact CB-CG2 3.88Å; A448-L588 HydrophobicContact CB-CD1 4.46Å
449	A	97.4	Very high	94.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.4	179	0	0	0	0	0	110.6	I360 T361 I364 L441 D443 M451	I360-A449 CarbonylContact C-O 3.56Å; I360-A449 VanDerWaalsContact CA-O 3.31Å; I360-A449 WeakPolarHBondContact CA-O 3.22Å; T361-A449 PolarHBondContact N-O 3.23Å; T361-A449 PolarHBondContact O-N 3.48Å; T361-A449 VanDerWaalsContact O-N 3.12Å; T361-A449 WeakPolarHBondContact OG1-CB 3.24Å; T361-A449 PolarHBondContact OG1-O 3.44Å; I364-A449 HydrophobicContact CG1-CB 4.43Å; L441-A449 HydrophobicContact CD1-CB 3.31Å; D443-A449 CarbonylContact O-C 3.59Å; D443-A449 WeakPolarHBondContact O-CA 3.48Å; A449-M451 HydrophobicContact CB-CG 4.37Å; A449-M451 HydrophobicContact CB-SD 3.99Å
450	L	97.7	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	115	168.5	-175.9	59.9	0	0	0	107.8	L358 I360 I442 D443 F579 L583 L588 K589	L358-L450 HydrophobicContact CD1-CD1 4Å; L358-L450 HydrophobicContact CD1-CG 4.27Å; L358-L450 HydrophobicContact CD2-CD1 4.03Å; L358-L450 HydrophobicContact CG-CD1 3.86Å; I360-L450 HydrophobicContact CG1-CD1 4.16Å; I442-L450 HydrophobicContact CB-CB 4.33Å; I442-L450 HydrophobicContact CB-CD2 4.27Å; I442-L450 HydrophobicContact CB-CG 4.12Å; I442-L450 WeakPolarHBondContact CB-O 3.01Å; I442-L450 HydrophobicContact CG2-CD2 3.69Å; I442-L450 HydrophobicContact CG2-CG 4.1Å; I442-L450 PolarHBondContact N-O 3.42Å; D443-L450 HydrophobicContact CB-CB 4.35Å; D443-L450 PolarHBondContact O-N 2.68Å; L450-F579 HydrophobicContact CD1-CE1 4.07Å; L450-F579 HydrophobicContact CD1-CZ 4.16Å; L450-L583 HydrophobicContact CD1-CD1 4.17Å; L450-L583 HydrophobicContact CD2-CD1 3.87Å; L450-L588 HydrophobicContact CB-CD1 4.24Å; L450-L588 HydrophobicContact CB-CD2 4.24Å; L450-K589 WeakPolarHBondContact CD2-O 3.26Å
451	M	95.6	Very high	94.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.3	-174.2	-58.4	-60	-60.5	0	0	110.8	C359 T361 P365 Y439 N440 L441 A449	C359-M451 PolarHBondContact N-O 3Å; C359-M451 PolarHBondContact O-N 3.45Å; T361-M451 HydrophobicContact CG2-CG 3.78Å; P365-M451 HydrophobicContact CG-CE 3.92Å; P365-M451 HydrophobicContact CG-SD 3.86Å; Y439-M451 HydrophobicContact CD2-CE 3.49Å; Y439-M451 VanDerWaalsContact CD2-CE 3.49Å; Y439-M451 HydrophobicContact CE2-CE 4.33Å; Y439-M451 HydrophobicContact CG-CE 4.15Å; N440-M451 WeakPolarHBondContact O-CA 2.95Å; L441-M451 HydrophobicContact CB-CE 4.28Å; L441-M451 HydrophobicContact CB-SD 3.98Å; L441-M451 HydrophobicContact CD1-SD 3.42Å; L441-M451 WeakPolarHBondContact CD1-SD 3.43Å; L441-M451 HydrophobicContact CG-SD 4.32Å; A449-M451 HydrophobicContact CB-CG 4.37Å; A449-M451 HydrophobicContact CB-SD 3.99Å
452	L	95.4	Very high	94.2	Very high	16 Å²	16	29.3 Å²	29.3	8%	0.084	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.4	159.5	-178.8	64.6	0	0	0	108.2	D356 Y357 W438 Y439 N440 I442 L517	D356-L452 HydrophobicContact CB-CD1 4.19Å; Y357-L452 CarbonylContact O-C 3.48Å; Y357-L452 WeakPolarHBondContact O-CA 3.35Å; W438-L452 HydrophobicContact CZ3-CD2 4.12Å; W438-L452 HydrophobicContact CZ3-CG 4.3Å; Y439-L452 CarbonylContact C-O 3.6Å; Y439-L452 WeakPolarHBondContact CA-O 2.92Å; N440-L452 PolarHBondContact N-O 3.35Å; N440-L452 PolarHBondContact O-N 2.85Å; I442-L452 HydrophobicContact CD1-CB 3.83Å; I442-L452 HydrophobicContact CG1-CB 4.33Å; L452-L517 HydrophobicContact CD1-CD2 3.91Å
453	C	95.4	Very high	94.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.7	176.2	-63.1	0	0	0	0	109.9	Y357 T437 W438 I463	Y357-C453 PolarHBondContact N-O 3.2Å; Y357-C453 PolarHBondContact O-N 2.82Å; T437-C453 HydrophobicContact CG2-CB 3.98Å; W438-C453 CarbonylContact O-C 3.51Å; W438-C453 WeakPolarHBondContact O-CA 3.32Å; C453-I463 HydrophobicContact CB-CD1 4.13Å; C453-I463 HydrophobicContact CB-CG1 4.49Å; C453-I463 HydrophobicContact CB-CG2 3.95Å
454	S	95.2	Very high	94.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136	-179.4	-54.2	0	0	0	0	110.1	K355 D356 W438	K355-S454 CarbonylContact O-C 3.59Å; K355-S454 WeakPolarHBondContact O-CA 3.45Å; D356-S454 PolarHBondContact OD1-OG 3.47Å; W438-S454 PolarHBondContact N-O 3Å; W438-S454 PolarHBondContact O-N 2.94Å
455	T	94.7	Very high	94.2	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.025	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.4	173.7	67.9	0	0	0	0	112.8	K355 T437 T457 I463	K355-T455 VanDerWaalsContact CE-O 3.3Å; K355-T455 WeakPolarHBondContact CE-O 3.44Å; K355-T455 PolarHBondContact N-O 3.06Å; K355-T455 PolarHBondContact O-N 3.22Å; T437-T455 HydrophobicContact CG2-CG2 4.03Å; T437-T455 WeakPolarHBondContact OG1-CG2 3.14Å; T455-T457 PolarHBondContact OG1-O 3.39Å; T455-I463 HydrophobicContact CG2-CD1 3.95Å; T455-I463 HydrophobicContact CG2-CG1 3.8Å
456	L	92.4	Very high	94	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.102	C	C	.	.	S	Bend	trans	-99.9	-32.2	164.9	-64	-176	0	0	0	111.6	R351 K354 K355 F421 L424 Y425 M428	R351-L456 HydrophobicContact CB-CB 4.13Å; R351-L456 HydrophobicContact CG-CB 4.43Å; K354-L456 HydrophobicContact CB-CD2 3.84Å; K354-L456 HydrophobicContact CG-CD2 4.36Å; K355-L456 PolarHBondContact NZ-O 2.71Å; F421-L456 HydrophobicContact CD2-CD2 4.05Å; F421-L456 HydrophobicContact CE2-CD2 3.86Å; L424-L456 HydrophobicContact CB-CD1 3.69Å; L424-L456 HydrophobicContact CB-CG 3.76Å; L424-L456 HydrophobicContact CD1-CG 4.06Å; L424-L456 HydrophobicContact CG-CG 4.5Å; Y425-L456 HydrophobicContact CD2-CD1 4.24Å; M428-L456 HydrophobicContact SD-CB 3.86Å; M428-L456 HydrophobicContact SD-CD1 4.38Å
457	T	89.7	Confident	94	Very high	15 Å²	15	15.9 Å²	15.9	9%	0.092	9%	0.089	C	C	.	.			trans	-72.1	159	175.2	43.3	0	0	0	0	114.1	K355 M428 T455 Q462	K355-T457 VanDerWaalsContact NZ-C 3.33Å; K355-T457 PolarHBondContact NZ-O 3.32Å; M428-T457 HydrophobicContact CE-CG2 3.25Å; M428-T457 HydrophobicContact SD-CG2 3.95Å; T455-T457 PolarHBondContact OG1-O 3.39Å; T457-Q462 VanDerWaalsContact CB-OE1 3.31Å; T457-Q462 PolarHBondContact OG1-NE2 2.97Å; T457-Q462 PolarHBondContact OG1-OE1 3.31Å
458	G	84.7	Confident	93.8	Very high	38 Å²	38	12.3 Å²	12.3	39%	0.392	7%	0.071	S	C	.	.			trans	-111.5	16.2	-179.3	0	0	0	0	0	115.3	K460	G458-K460 PolarHBondContact O-N 2.78Å
459	I	90.7	Very high	93.3	Very high	56 Å²	56	12.8 Å²	12.8	29%	0.287	7%	0.073	S	C	.	.			trans	-64	135.1	-171.8	-55.9	-167	0	0	0	111.2	L376 M387 P435 H461 Q462	L376-I459 HydrophobicContact CB-CG2 4.39Å; L376-I459 HydrophobicContact CD1-CG2 4.33Å; M387-I459 HydrophobicContact CE-CG2 3.93Å; P435-I459 HydrophobicContact CB-CD1 3.72Å; P435-I459 HydrophobicContact CB-CG1 4.42Å; P435-I459 HydrophobicContact CG-CD1 3.83Å; I459-H461 PolarHBondContact O-N 2.7Å; I459-Q462 HydrophobicContact CB-CB 4.2Å; I459-Q462 VanDerWaalsContact O-CB 3.28Å; I459-Q462 WeakPolarHBondContact O-CB 3.36Å; I459-Q462 PolarHBondContact O-N 2.89Å; I459-Q462 VanDerWaalsContact O-N 3.09Å
460	K	91	Very high	92.7	Very high	57 Å²	57	12.8 Å²	12.8	25%	0.248	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.1	126.9	174.1	-170.4	175.9	-166.8	171.3	0	111.3	F37 E378 M387 G458 Q462	F37-K460 HydrophobicContact CE1-CB 3.77Å; F37-K460 HydrophobicContact CE1-CD 3.95Å; F37-K460 HydrophobicContact CE1-CG 4.46Å; F37-K460 HydrophobicContact CZ-CB 3.81Å; F37-K460 HydrophobicContact CZ-CD 4.22Å; F37-K460 HydrophobicContact CZ-CG 4.43Å; E378-K460 WeakPolarHBondContact OE1-CE 3.48Å; E378-K460 IonicContact OE1-NZ 3.26Å; E378-K460 PolarHBondContact OE1-NZ 2.8Å; E378-K460 IonicContact OE2-NZ 2.89Å; E378-K460 PolarHBondContact OE2-NZ 2.83Å; M387-K460 HydrophobicContact CG-CB 4.06Å; M387-K460 HydrophobicContact CG-CD 4.42Å; M387-K460 HydrophobicContact CG-CG 4.26Å; M387-K460 WeakPolarHBondContact CG-O 3.34Å; M387-K460 HydrophobicContact SD-CB 4.19Å; M387-K460 HydrophobicContact SD-CD 4.09Å; M387-K460 HydrophobicContact SD-CG 4.48Å; G458-K460 PolarHBondContact O-N 2.78Å; K460-Q462 PolarHBondContact O-N 3.43Å
461	H	94.1	Very high	92.2	Very high	28 Å²	28	13.6 Å²	13.6	13%	0.13	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	19.6	174.5	-59.5	174.7	0	0	0	115.5	D325 M387 I459 I463 R464 A465 Y481	D325-H461 IonicContact OD1-CD2 3.76Å; D325-H461 PolarHBondContact OD1-CD2 2.76Å; D325-H461 VanDerWaalsContact OD1-CD2 3.27Å; D325-H461 IonicContact OD1-NE2 3.46Å; D325-H461 IonicContact OD2-CD2 2.74Å; D325-H461 PolarHBondContact OD2-CD2 3.38Å; D325-H461 IonicContact OD2-NE2 3.28Å; M387-H461 HydrophobicContact CG-CB 4.42Å; I459-H461 PolarHBondContact O-N 2.7Å; H461-I463 PolarHBondContact O-N 3.3Å; H461-R464 HydrophobicContact CB-CB 4.35Å; H461-R464 PolarHBondContact NE2-NH1 2.82Å; H461-R464 WeakPolarHBondContact O-CB 3.27Å; H461-R464 PolarHBondContact O-N 2.79Å; H461-A465 PolarHBondContact O-N 3.29Å; H461-Y481 HydrophobicContact CB-CE2 3.66Å; H461-Y481 WeakPolarHBondContact CB-OH 3.28Å; H461-Y481 AromaticContact CG-CE2 3.76Å; H461-Y481 AromaticContact ND1-CE2 3.39Å; H461-Y481 WeakPolarHBondContact ND1-CE2 3.31Å; H461-Y481 AromaticContact ND1-CZ 3.55Å; H461-Y481 PolarHBondContact ND1-OH 3.19Å
462	Q	94.6	Very high	91.9	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-54.1	-52.6	-168.7	177.2	-179.4	-35.3	0	0	113.2	L376 P435 T436 T437 T457 I459 K460 R464 A465 H466	L376-Q462 HydrophobicContact CD1-CB 4Å; L376-Q462 HydrophobicContact CD1-CG 3.87Å; P435-Q462 HydrophobicContact CB-CG 4.28Å; T436-Q462 PolarHBondContact O-NE2 2.66Å; T436-Q462 VanDerWaalsContact O-NE2 3.08Å; T437-Q462 PolarHBondContact OG1-NE2 2.89Å; T457-Q462 VanDerWaalsContact CB-OE1 3.31Å; T457-Q462 PolarHBondContact OG1-NE2 2.97Å; T457-Q462 PolarHBondContact OG1-OE1 3.31Å; I459-Q462 HydrophobicContact CB-CB 4.2Å; I459-Q462 VanDerWaalsContact O-CB 3.28Å; I459-Q462 WeakPolarHBondContact O-CB 3.36Å; I459-Q462 PolarHBondContact O-N 2.89Å; I459-Q462 VanDerWaalsContact O-N 3.09Å; K460-Q462 PolarHBondContact O-N 3.43Å; Q462-R464 VanDerWaalsContact C-N 3.27Å; Q462-R464 PolarHBondContact O-N 3.28Å; Q462-A465 PolarHBondContact O-N 2.87Å; Q462-H466 VanDerWaalsContact O-CB 3.3Å; Q462-H466 WeakPolarHBondContact O-CB 3.48Å; Q462-H466 PolarHBondContact O-N 3.49Å
463	I	96	Very high	91.8	Very high	9 Å²	9	17 Å²	17	5%	0.046	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-39.7	-179.5	-61.9	174.4	0	0	0	110.7	Y357 T437 C453 T455 H461 H466 L467 I475 L514	Y357-I463 HydrophobicContact CD1-CD1 4.16Å; Y357-I463 HydrophobicContact CD2-CD1 3.16Å; Y357-I463 HydrophobicContact CE2-CD1 3.59Å; Y357-I463 HydrophobicContact CG-CD1 3.48Å; Y357-I463 VanDerWaalsContact CG-CD1 3.48Å; T437-I463 HydrophobicContact CG2-CG1 4.12Å; C453-I463 HydrophobicContact CB-CD1 4.13Å; C453-I463 HydrophobicContact CB-CG1 4.49Å; C453-I463 HydrophobicContact CB-CG2 3.95Å; T455-I463 HydrophobicContact CG2-CD1 3.95Å; T455-I463 HydrophobicContact CG2-CG1 3.8Å; H461-I463 PolarHBondContact O-N 3.3Å; I463-H466 PolarHBondContact O-N 2.68Å; I463-L467 HydrophobicContact CG2-CD1 3.65Å; I463-L467 HydrophobicContact CG2-CG 4.14Å; I463-L467 WeakPolarHBondContact O-CB 3.23Å; I463-L467 WeakPolarHBondContact O-CG 3.4Å; I463-L467 PolarHBondContact O-N 2.97Å; I463-I475 HydrophobicContact CG2-CD1 4.4Å; I463-L514 HydrophobicContact CG2-CD1 4.37Å
464	R	96.7	Very high	91.8	Very high	16 Å²	16	18 Å²	18	6%	0.06	10%	0.1	C	C	.	.	H	α-helix	trans	-63.3	-46.3	179.1	-58.9	169.7	62.5	173.3	3.8	111.5	D325 H461 Q462 A468 I475 D478 Y481 L514	D325-R464 WeakPolarHBondContact OD2-CD 3.29Å; D325-R464 IonicContact OD2-NH1 3.12Å; D325-R464 PolarHBondContact OD2-NH1 2.94Å; H461-R464 HydrophobicContact CB-CB 4.35Å; H461-R464 PolarHBondContact NE2-NH1 2.82Å; H461-R464 WeakPolarHBondContact O-CB 3.27Å; H461-R464 PolarHBondContact O-N 2.79Å; Q462-R464 VanDerWaalsContact C-N 3.27Å; Q462-R464 PolarHBondContact O-N 3.28Å; R464-A468 VanDerWaalsContact O-CB 3.26Å; R464-A468 WeakPolarHBondContact O-CB 3.02Å; R464-A468 PolarHBondContact O-N 3.34Å; R464-A468 VanDerWaalsContact O-N 3.16Å; R464-I475 HydrophobicContact CG-CD1 4.01Å; R464-D478 WeakPolarHBondContact CB-OD2 3.4Å; R464-D478 WeakPolarHBondContact CG-OD2 3.35Å; R464-D478 IonicContact CZ-OD1 3.38Å; R464-D478 IonicContact CZ-OD2 2.67Å; R464-D478 IonicContact NE-OD1 2.71Å; R464-D478 IonicContact NE-OD2 3.25Å; R464-D478 PolarHBondContact NE-OD2 3.17Å; R464-D478 IonicContact NH2-OD1 3.49Å; R464-D478 PolarHBondContact NH2-OD1 2.96Å; R464-D478 IonicContact NH2-OD2 3.24Å; R464-D478 PolarHBondContact NH2-OD2 3.2Å; R464-Y481 HydrophobicContact CB-CD2 3.65Å; R464-Y481 HydrophobicContact CB-CE2 3.88Å; R464-Y481 HydrophobicContact CB-CG 4.4Å; R464-L514 HydrophobicContact CG-CD2 3.78Å
465	A	92.8	Very high	92	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-43.7	177	0	0	0	0	0	111.9	L376 M387 H461 Q462 A468 F469 Y481	L376-A465 HydrophobicContact CD1-CB 4.11Å; L376-A465 HydrophobicContact CD2-CB 3.83Å; M387-A465 HydrophobicContact CB-CB 4.41Å; H461-A465 PolarHBondContact O-N 3.29Å; Q462-A465 PolarHBondContact O-N 2.87Å; A465-A468 PolarHBondContact O-N 3.39Å; A465-F469 HydrophobicContact CB-CD2 4.06Å; A465-F469 HydrophobicContact CB-CE2 4.28Å; A465-F469 WeakPolarHBondContact O-CB 3.22Å; A465-F469 VanDerWaalsContact O-CD2 3.28Å; A465-F469 WeakPolarHBondContact O-CD2 3.32Å; A465-F469 PolarHBondContact O-N 3.47Å; A465-Y481 HydrophobicContact CB-CE1 4.3Å
466	H	92.6	Very high	92.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-62.9	-44.1	178.1	-78.1	-167.6	0	0	0	112.6	I372 L374 P435 T437 Q462 I463 G470 L471	I372-H466 HydrophobicContact CB-CB 4.15Å; I372-H466 HydrophobicContact CD1-CB 3.86Å; I372-H466 HydrophobicContact CG2-CB 3.78Å; I372-H466 PolarHBondContact O-ND1 2.95Å; L374-H466 PolarHBondContact O-NE2 3.35Å; L374-H466 VanDerWaalsContact O-NE2 3.17Å; P435-H466 PolarHBondContact O-CE1 2.87Å; P435-H466 VanDerWaalsContact O-CE1 3.27Å; T437-H466 WeakPolarHBondContact CB-ND1 3.29Å; T437-H466 PolarHBondContact OG1-ND1 3.4Å; Q462-H466 VanDerWaalsContact O-CB 3.3Å; Q462-H466 WeakPolarHBondContact O-CB 3.48Å; Q462-H466 PolarHBondContact O-N 3.49Å; I463-H466 PolarHBondContact O-N 2.68Å; H466-G470 WeakPolarHBondContact O-CA 3.39Å; H466-G470 PolarHBondContact O-N 3.32Å; H466-L471 PolarHBondContact O-N 2.95Å
467	L	93.9	Very high	92.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-69.7	-36.2	178.2	-66.2	176.7	0	0	0	112.2	C359 T361 I372 I463 L471 H472 T473 I475	C359-L467 VanDerWaalsContact SG-CD1 3.54Å; T361-L467 HydrophobicContact CG2-CD1 3.88Å; I372-L467 HydrophobicContact CD1-CD2 4.15Å; I463-L467 HydrophobicContact CG2-CD1 3.65Å; I463-L467 HydrophobicContact CG2-CG 4.14Å; I463-L467 WeakPolarHBondContact O-CB 3.23Å; I463-L467 WeakPolarHBondContact O-CG 3.4Å; I463-L467 PolarHBondContact O-N 2.97Å; L467-L471 HydrophobicContact CD2-CD1 3.81Å; L467-H472 PolarHBondContact O-N 3.05Å; L467-T473 CarbonylContact O-C 3.5Å; L467-T473 PolarHBondContact O-N 3.3Å; L467-I475 HydrophobicContact CD1-CD1 3.95Å; L467-I475 HydrophobicContact CD1-CG1 3.67Å
468	A	92	Very high	92.7	Very high	10 Å²	10	17.4 Å²	17.4	8%	0.083	10%	0.098	C	C	.	.	I	π-helix	trans	-77.7	-48.5	-179.6	0	0	0	0	0	114.2	R464 A465 H472 P474	R464-A468 VanDerWaalsContact O-CB 3.26Å; R464-A468 WeakPolarHBondContact O-CB 3.02Å; R464-A468 PolarHBondContact O-N 3.34Å; R464-A468 VanDerWaalsContact O-N 3.16Å; A465-A468 PolarHBondContact O-N 3.39Å; A468-H472 WeakPolarHBondContact O-CA 3.47Å; A468-H472 PolarHBondContact O-ND1 3.05Å; A468-P474 HydrophobicContact CB-CB 4Å
469	F	86.6	Confident	93.2	Very high	10 Å²	10	17.4 Å²	17.4	4%	0.044	9%	0.087	C	C	.	.	I	π-helix	trans	-88.9	-31.7	-178.4	-59.3	-60.6	0	0	0	112.8	M387 C388 C401 A465 H472 Y481 A484	M387-F469 WeakPolarHBondContact O-CE2 3.37Å; C388-F469 HydrophobicContact CB-CE2 4.18Å; C388-F469 HydrophobicContact CB-CZ 4.4Å; C401-F469 PolarHBondContact SG-O 3.48Å; C401-F469 VanDerWaalsContact SG-O 3.34Å; A465-F469 HydrophobicContact CB-CD2 4.06Å; A465-F469 HydrophobicContact CB-CE2 4.28Å; A465-F469 WeakPolarHBondContact O-CB 3.22Å; A465-F469 VanDerWaalsContact O-CD2 3.28Å; A465-F469 WeakPolarHBondContact O-CD2 3.32Å; A465-F469 PolarHBondContact O-N 3.47Å; F469-H472 PolarHBondContact O-CE1 3.34Å; F469-Y481 AromaticContact CE2-CD1 3.73Å; F469-Y481 HydrophobicContact CE2-CD1 3.73Å; F469-Y481 HydrophobicContact CE2-CE1 4.12Å; F469-Y481 HydrophobicContact CZ-CD1 4.08Å; F469-A484 HydrophobicContact CE1-CB 3.97Å
470	G	84.8	Confident	93.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-76.1	-80.9	175.4	0	0	0	0	0	112.1	C401 Q405 H466 H472	C401-G470 VanDerWaalsContact SG-CA 3.58Å; Q405-G470 PolarHBondContact NE2-O 3.49Å; H466-G470 WeakPolarHBondContact O-CA 3.39Å; H466-G470 PolarHBondContact O-N 3.32Å; G470-H472 PolarHBondContact O-N 2.95Å
471	L	87.8	Confident	93.3	Very high	17 Å²	17	14.6 Å²	14.6	9%	0.089	7%	0.073	C	C	.	.	S	Bend	trans	-76.9	-7	-171.8	-67.7	173.1	0	0	0	113.7	P365 I372 Q405 Y439 H466 L467 T473	P365-L471 HydrophobicContact CB-CD1 4.11Å; P365-L471 HydrophobicContact CB-CD2 4.24Å; I372-L471 HydrophobicContact CD1-CD1 3.7Å; I372-L471 HydrophobicContact CD1-CG 3.76Å; I372-L471 HydrophobicContact CG1-CD1 4.35Å; I372-L471 HydrophobicContact CG1-CG 4.16Å; Q405-L471 HydrophobicContact CG-CD2 4.3Å; Y439-L471 HydrophobicContact CD1-CD1 3.93Å; Y439-L471 HydrophobicContact CD2-CD1 4.1Å; Y439-L471 HydrophobicContact CE1-CD1 3.92Å; Y439-L471 HydrophobicContact CE1-CD2 3.94Å; Y439-L471 HydrophobicContact CE1-CG 4.4Å; Y439-L471 HydrophobicContact CE2-CD1 4.07Å; Y439-L471 HydrophobicContact CE2-CD2 4.46Å; Y439-L471 HydrophobicContact CG-CD1 4.01Å; H466-L471 PolarHBondContact O-N 2.95Å; L467-L471 HydrophobicContact CD2-CD1 3.81Å; L471-T473 HydrophobicContact CB-CG2 4.44Å; L471-T473 WeakPolarHBondContact CB-OG1 3.42Å; L471-T473 PolarHBondContact O-N 3.37Å
472	H	89.1	Confident	93.2	Very high	82 Å²	82	14.7 Å²	14.7	38%	0.38	8%	0.076	S	C	.	.	S	Bend	trans	56.2	27.2	-170.4	-54.8	-47.9	0	0	0	113.8	E398 L467 A468 F469 G470 P474	E398-H472 VanDerWaalsContact CG-NE2 3.34Å; E398-H472 WeakPolarHBondContact CG-NE2 3.49Å; L467-H472 PolarHBondContact O-N 3.05Å; A468-H472 WeakPolarHBondContact O-CA 3.47Å; A468-H472 PolarHBondContact O-ND1 3.05Å; F469-H472 PolarHBondContact O-CE1 3.34Å; G470-H472 PolarHBondContact O-N 2.95Å; H472-P474 WeakPolarHBondContact O-CD 3.36Å
473	T	93.5	Very high	92.8	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.025	8%	0.08	C	C	.	.			trans	-118.7	71.7	177.8	60.6	0	0	0	0	110.2	T361 V362 L467 L471	T361-T473 WeakPolarHBondContact CB-O 3.04Å; T361-T473 VanDerWaalsContact CG2-O 3.24Å; T361-T473 WeakPolarHBondContact CG2-O 3.46Å; V362-T473 CarbonylContact O-C 3.53Å; V362-T473 WeakPolarHBondContact O-CA 3.35Å; L467-T473 CarbonylContact O-C 3.5Å; L467-T473 PolarHBondContact O-N 3.3Å; L471-T473 HydrophobicContact CB-CG2 4.44Å; L471-T473 WeakPolarHBondContact CB-OG1 3.42Å; L471-T473 PolarHBondContact O-N 3.37Å
474	P	96	Very high	91.9	Very high	22 Å²	22	16.7 Å²	16.7	14%	0.143	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-60.7	146.3	-177.3	26.7	-35.3	0	0	0	111.5	V362 A468 H472	V362-P474 PolarHBondContact N-O 3.33Å; A468-P474 HydrophobicContact CB-CB 4Å; H472-P474 WeakPolarHBondContact O-CD 3.36Å
475	I	98.3	Very high	90.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-59.8	139.5	179.1	-56.7	-178.5	0	0	0	110.2	C359 I360 I463 R464 L467 G477 D478 Q490 L512 H513 L514	C359-I475 HydrophobicContact CB-CD1 4.09Å; C359-I475 HydrophobicContact CB-CG1 4.34Å; C359-I475 HydrophobicContact CB-CG2 4.24Å; I360-I475 CarbonylContact O-C 3.54Å; I360-I475 WeakPolarHBondContact O-CA 3.41Å; I360-I475 WeakPolarHBondContact O-CG2 3.49Å; I463-I475 HydrophobicContact CG2-CD1 4.4Å; R464-I475 HydrophobicContact CG-CD1 4.01Å; L467-I475 HydrophobicContact CD1-CD1 3.95Å; L467-I475 HydrophobicContact CD1-CG1 3.67Å; I475-G477 PolarHBondContact O-N 3.24Å; I475-D478 HydrophobicContact CB-CB 4.15Å; I475-D478 VanDerWaalsContact O-CB 3.24Å; I475-D478 WeakPolarHBondContact O-CB 3.38Å; I475-D478 PolarHBondContact O-N 2.93Å; I475-Q490 PolarHBondContact O-NE2 2.94Å; I475-L512 HydrophobicContact CB-CD1 4.09Å; I475-L512 HydrophobicContact CG2-CD1 3.78Å; I475-L512 HydrophobicContact CG2-CG 4.49Å; I475-H513 HydrophobicContact CG2-CB 4.23Å; I475-H513 VanDerWaalsContact CG2-O 3.27Å; I475-H513 WeakPolarHBondContact CG2-O 3.41Å; I475-L514 HydrophobicContact CD1-CB 4.04Å; I475-L514 HydrophobicContact CD1-CD1 4.04Å; I475-L514 HydrophobicContact CD1-CD2 3.96Å; I475-L514 HydrophobicContact CD1-CG 4.24Å; I475-L514 HydrophobicContact CG2-CB 4.47Å
476	L	98	Very high	90.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	125.9	175.2	178	63.3	0	0	0	110.2	I360 V362 L492 L496 L500 I510 H513 I586	I360-L476 HydrophobicContact CB-CB 4.27Å; I360-L476 HydrophobicContact CB-CD2 4.45Å; I360-L476 HydrophobicContact CG2-CB 4.17Å; I360-L476 HydrophobicContact CG2-CD2 4.01Å; I360-L476 WeakPolarHBondContact O-CB 3.28Å; I360-L476 PolarHBondContact O-N 3.29Å; V362-L476 HydrophobicContact CG2-CB 4.15Å; V362-L476 HydrophobicContact CG2-CD1 3.93Å; L476-L492 HydrophobicContact CD1-CD1 4.13Å; L476-L492 HydrophobicContact CD1-CD2 3.86Å; L476-L496 HydrophobicContact CD1-CD2 4.38Å; L476-L500 HydrophobicContact CD1-CD1 4.43Å; L476-L500 HydrophobicContact CD2-CD1 4.47Å; L476-I510 HydrophobicContact CD1-CD1 4.44Å; L476-I510 HydrophobicContact CD1-CG2 4.31Å; L476-I510 HydrophobicContact CG-CG2 4.12Å; L476-H513 HydrophobicContact CB-CB 4.14Å; L476-H513 PolarHBondContact O-N 3.23Å; L476-H513 PolarHBondContact O-ND1 3.39Å; L476-I586 HydrophobicContact CD2-CD1 3.86Å
477	G	96.5	Very high	90.2	Very high	8 Å²	8	32.8 Å²	32.8	8%	0.082	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-3.8	-172.5	0	0	0	0	0	114.7	I475 H479	I475-G477 PolarHBondContact O-N 3.24Å; G477-H479 VanDerWaalsContact C-N 3.32Å; G477-H479 PolarHBondContact O-CE1 3.49Å; G477-H479 PolarHBondContact O-N 3.49Å; G477-H479 PolarHBondContact O-ND1 3.45Å
478	D	96.6	Very high	90.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.177	C	C	.	.			trans	-80.9	75.8	179.8	-158	-23.9	0	0	0	113.1	R464 I475 K480 Y481 S482 L512	R464-D478 WeakPolarHBondContact CB-OD2 3.4Å; R464-D478 WeakPolarHBondContact CG-OD2 3.35Å; R464-D478 IonicContact CZ-OD1 3.38Å; R464-D478 IonicContact CZ-OD2 2.67Å; R464-D478 IonicContact NE-OD1 2.71Å; R464-D478 IonicContact NE-OD2 3.25Å; R464-D478 PolarHBondContact NE-OD2 3.17Å; R464-D478 IonicContact NH2-OD1 3.49Å; R464-D478 PolarHBondContact NH2-OD1 2.96Å; R464-D478 IonicContact NH2-OD2 3.24Å; R464-D478 PolarHBondContact NH2-OD2 3.2Å; I475-D478 HydrophobicContact CB-CB 4.15Å; I475-D478 VanDerWaalsContact O-CB 3.24Å; I475-D478 WeakPolarHBondContact O-CB 3.38Å; I475-D478 PolarHBondContact O-N 2.93Å; D478-K480 PolarHBondContact O-N 3.23Å; D478-K480 PolarHBondContact OD1-N 2.92Å; D478-Y481 PolarHBondContact O-N 3Å; D478-Y481 PolarHBondContact OD1-N 3.17Å; D478-Y481 VanDerWaalsContact OD1-N 3.15Å; D478-Y481 WeakPolarHBondContact OD2-CD2 3.47Å; D478-S482 VanDerWaalsContact O-CB 3.28Å; D478-S482 WeakPolarHBondContact O-CB 3.4Å; D478-S482 PolarHBondContact O-N 2.85Å; D478-S482 PolarHBondContact O-OG 3.12Å; D478-L512 HydrophobicContact CB-CD1 3.57Å
479	H	94.9	Very high	90.2	Very high	38 Å²	38	35.7 Å²	35.7	18%	0.176	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19	178.3	-52.6	-18.1	0	0	0	113.3	G477 A488 Q490 V507 R508	G477-H479 VanDerWaalsContact C-N 3.32Å; G477-H479 PolarHBondContact O-CE1 3.49Å; G477-H479 PolarHBondContact O-N 3.49Å; G477-H479 PolarHBondContact O-ND1 3.45Å; H479-A488 VanDerWaalsContact O-O 3.06Å; H479-Q490 PolarHBondContact ND1-N 3.11Å; H479-V507 PolarHBondContact CE1-O 3.27Å; H479-V507 PolarHBondContact NE2-O 3.24Å; H479-R508 VanDerWaalsContact NE2-CA 3.34Å; H479-R508 WeakPolarHBondContact NE2-CA 3.15Å; H479-R508 PolarHBondContact NE2-O 2.91Å
480	K	92.3	Very high	90.7	Very high	50 Å²	50	35.3 Å²	35.3	22%	0.217	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-39.4	-178.1	-175.7	167.7	-177.9	162.2	0	112.3	R385 K386 D478 L487	R385-K480 WeakPolarHBondContact O-CE 3.33Å; R385-K480 PolarHBondContact O-NZ 3.47Å; K386-K480 VanDerWaalsContact CE-O 3.28Å; K386-K480 WeakPolarHBondContact CE-O 3.38Å; K386-K480 HydrophobicContact CG-CG 4.35Å; K386-K480 PolarHBondContact NZ-O 3.41Å; D478-K480 PolarHBondContact O-N 3.23Å; D478-K480 PolarHBondContact OD1-N 2.92Å; K480-L487 HydrophobicContact CB-CD1 4.49Å
481	Y	92.8	Very high	91.2	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.016	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-11.8	-176.4	-69.3	-70.5	0	0	0	114.9	K386 M387 H461 R464 A465 F469 D478 H483	K386-Y481 HydrophobicContact CB-CE1 4.07Å; M387-Y481 PolarHBondContact N-OH 3.19Å; M387-Y481 VanDerWaalsContact N-OH 3.09Å; M387-Y481 VanDerWaalsContact O-CE1 3.28Å; M387-Y481 WeakPolarHBondContact O-CE1 3.31Å; H461-Y481 HydrophobicContact CB-CE2 3.66Å; H461-Y481 WeakPolarHBondContact CB-OH 3.28Å; H461-Y481 AromaticContact CG-CE2 3.76Å; H461-Y481 AromaticContact ND1-CE2 3.39Å; H461-Y481 WeakPolarHBondContact ND1-CE2 3.31Å; H461-Y481 AromaticContact ND1-CZ 3.55Å; H461-Y481 PolarHBondContact ND1-OH 3.19Å; R464-Y481 HydrophobicContact CB-CD2 3.65Å; R464-Y481 HydrophobicContact CB-CE2 3.88Å; R464-Y481 HydrophobicContact CB-CG 4.4Å; A465-Y481 HydrophobicContact CB-CE1 4.3Å; F469-Y481 AromaticContact CE2-CD1 3.73Å; F469-Y481 HydrophobicContact CE2-CD1 3.73Å; F469-Y481 HydrophobicContact CE2-CE1 4.12Å; F469-Y481 HydrophobicContact CZ-CD1 4.08Å; D478-Y481 PolarHBondContact O-N 3Å; D478-Y481 PolarHBondContact OD1-N 3.17Å; D478-Y481 VanDerWaalsContact OD1-N 3.15Å; D478-Y481 WeakPolarHBondContact OD2-CD2 3.47Å; Y481-H483 PolarHBondContact O-N 3.12Å
482	S	92.3	Very high	91.7	Very high	29 Å²	29	44 Å²	44	20%	0.203	22%	0.218	C	C	.	.	S	Bend	trans	-64.1	-18.9	174.8	-65	0	0	0	0	114.7	D478 Q490	D478-S482 VanDerWaalsContact O-CB 3.28Å; D478-S482 WeakPolarHBondContact O-CB 3.4Å; D478-S482 PolarHBondContact O-N 2.85Å; D478-S482 PolarHBondContact O-OG 3.12Å; S482-Q490 WeakPolarHBondContact OG-CB 3.33Å; S482-Q490 WeakPolarHBondContact OG-CG 3.18Å; S482-Q490 PolarHBondContact OG-NE2 3.44Å
483	H	86.6	Confident	92	Very high	23 Å²	23	42 Å²	42	11%	0.106	21%	0.212	C	C	.	.	S	Bend	trans	-129.3	131	173.9	-54.2	-78.5	0	0	0	108.1	K386 Y481 Y486 A488 P489	K386-H483 PolarHBondContact NZ-O 3.01Å; Y481-H483 PolarHBondContact O-N 3.12Å; H483-Y486 HydrophobicContact CB-CD2 4.14Å; H483-Y486 HydrophobicContact CB-CE1 4.32Å; H483-Y486 HydrophobicContact CB-CE2 3.92Å; H483-Y486 HydrophobicContact CB-CG 4.44Å; H483-Y486 AromaticContact CG-CE2 3.73Å; H483-Y486 AromaticContact CG-CZ 3.95Å; H483-Y486 AromaticContact ND1-CE2 3.84Å; H483-Y486 AromaticContact ND1-CZ 3.72Å; H483-Y486 PolarHBondContact ND1-OH 3.33Å; H483-A488 PolarHBondContact CD2-O 3.27Å; H483-A488 VanDerWaalsContact CD2-O 3.31Å; H483-P489 PolarHBondContact NE2-O 2.8Å
484	A	76.7	Confident	92.2	Very high	37 Å²	37	49.1 Å²	49.1	31%	0.306	24%	0.243	S	C	.	.	S	Bend	trans	-66.9	-60.9	-175.2	0	0	0	0	0	111.8	K386 F469	K386-A484 PolarHBondContact NZ-O 3.05Å; F469-A484 HydrophobicContact CE1-CB 3.97Å
485	E	74.6	Confident	92.2	Very high	142 Å²	142	49.5 Å²	49.5	66%	0.664	25%	0.246	S	C	*	.	S	Bend	trans	-86.6	-23.3	-164.6	-65.5	164.4	-176.4	0	0	114.5
486	Y	82.5	Confident	92.1	Very high	112 Å²	112	49.5 Å²	49.5	44%	0.439	25%	0.246	S	C	.	.	S	Bend	trans	-131.7	172.5	-174.7	58.6	-88.4	0	0	0	112.2	K386 H483 A488	K386-Y486 PolarHBondContact NZ-O 3.29Å; H483-Y486 HydrophobicContact CB-CD2 4.14Å; H483-Y486 HydrophobicContact CB-CE1 4.32Å; H483-Y486 HydrophobicContact CB-CE2 3.92Å; H483-Y486 HydrophobicContact CB-CG 4.44Å; H483-Y486 AromaticContact CG-CE2 3.73Å; H483-Y486 AromaticContact CG-CZ 3.95Å; H483-Y486 AromaticContact ND1-CE2 3.84Å; H483-Y486 AromaticContact ND1-CZ 3.72Å; H483-Y486 PolarHBondContact ND1-OH 3.33Å; Y486-A488 HydrophobicContact CD2-CB 3.74Å; Y486-A488 HydrophobicContact CE2-CB 3.61Å
487	L	88.4	Confident	92.1	Very high	100 Å²	100	50.9 Å²	50.9	52%	0.524	25%	0.253	S	S	.	.			trans	-106	119.3	172.7	-179.9	66.7	0	0	0	109.4	I384 K480	I384-L487 HydrophobicContact CD1-CB 3.57Å; I384-L487 HydrophobicContact CD1-CD2 4.37Å; I384-L487 HydrophobicContact CG1-CB 4.45Å; K480-L487 HydrophobicContact CB-CD1 4.49Å
488	A	91.7	Very high	92	Very high	26 Å²	26	55.7 Å²	55.7	22%	0.215	27%	0.274	C	S	.	.			trans	-152.2	159.6	175	0	0	0	0	0	110.2	H479 H483 Y486 Q490	H479-A488 VanDerWaalsContact O-O 3.06Å; H483-A488 PolarHBondContact CD2-O 3.27Å; H483-A488 VanDerWaalsContact CD2-O 3.31Å; Y486-A488 HydrophobicContact CD2-CB 3.74Å; Y486-A488 HydrophobicContact CE2-CB 3.61Å; A488-Q490 PolarHBondContact O-N 2.75Å
489	P	94.5	Very high	92	Very high	45 Å²	45	57.8 Å²	57.8	29%	0.292	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-53.6	141.3	171.6	-25.3	35.6	0	0	0	111.5	H483 R491 R508	H483-P489 PolarHBondContact NE2-O 2.8Å; P489-R491 PolarHBondContact O-N 3.5Å; P489-R508 HydrophobicContact CB-CB 3.93Å; P489-R508 HydrophobicContact CG-CB 3.69Å
490	Q	96.5	Very high	92.1	Very high	2 Å²	2	56 Å²	56	1%	0.009	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-56.5	137.6	175.3	179.6	172.2	57.1	0	0	110.2	I475 H479 S482 A488 L492 Q504 V507	I475-Q490 PolarHBondContact O-NE2 2.94Å; H479-Q490 PolarHBondContact ND1-N 3.11Å; S482-Q490 WeakPolarHBondContact OG-CB 3.33Å; S482-Q490 WeakPolarHBondContact OG-CG 3.18Å; S482-Q490 PolarHBondContact OG-NE2 3.44Å; A488-Q490 PolarHBondContact O-N 2.75Å; Q490-L492 HydrophobicContact CG-CD2 3.78Å; Q490-Q504 PolarHBondContact O-NE2 2.75Å; Q490-V507 HydrophobicContact CB-CG1 4.3Å; Q490-V507 WeakPolarHBondContact O-CG1 3.35Å
491	R	96.4	Very high	92.3	Very high	185 Å²	185	56.4 Å²	56.4	70%	0.698	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-88.4	127.6	170.8	-69	-177.5	-179.2	-172	1.1	108.4	P489	P489-R491 PolarHBondContact O-N 3.5Å
492	L	97	Very high	92.4	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.068	28%	0.282	C	S	.	.			trans	-107.7	146.2	178.9	-57.9	-175.5	0	0	0	110.4	V362 L476 Q490 L496 L497 L500 V507 I510	V362-L492 HydrophobicContact CB-CD2 4.48Å; V362-L492 HydrophobicContact CG1-CD2 4.07Å; V362-L492 HydrophobicContact CG2-CD2 3.58Å; L476-L492 HydrophobicContact CD1-CD1 4.13Å; L476-L492 HydrophobicContact CD1-CD2 3.86Å; Q490-L492 HydrophobicContact CG-CD2 3.78Å; L492-L496 HydrophobicContact CD2-CD2 4.1Å; L492-L497 HydrophobicContact CB-CD2 3.85Å; L492-L497 HydrophobicContact CB-CG 3.88Å; L492-L497 HydrophobicContact CD1-CD2 4.05Å; L492-L497 HydrophobicContact CG-CD2 4.37Å; L492-L500 HydrophobicContact CD1-CD1 4.22Å; L492-V507 HydrophobicContact CD1-CG1 4.02Å; L492-V507 HydrophobicContact CD1-CG2 3.69Å; L492-V507 HydrophobicContact CG-CG1 4.02Å; L492-V507 HydrophobicContact CG-CG2 4.06Å; L492-I510 HydrophobicContact CD1-CD1 3.9Å
493	P	96.9	Very high	92.6	Very high	42 Å²	42	59.4 Å²	59.4	27%	0.273	29%	0.289	S	S	.	.			trans	-65.5	152.8	172.1	27.5	-32.7	0	0	0	110.8	V362 N447 S495 L496 L497	V362-P493 HydrophobicContact CG1-CG 4.45Å; N447-P493 HydrophobicContact CB-CB 4.29Å; N447-P493 HydrophobicContact CB-CG 3.69Å; P493-S495 VanDerWaalsContact C-N 3.28Å; P493-S495 PolarHBondContact O-N 3.4Å; P493-L496 HydrophobicContact CG-CB 3.81Å; P493-L496 HydrophobicContact CG-CD2 4.44Å; P493-L496 PolarHBondContact O-N 3.41Å; P493-L497 PolarHBondContact O-N 2.91Å; P493-L497 VanDerWaalsContact O-N 3.09Å
494	K	96.3	Very high	93	Very high	153 Å²	153	61.5 Å²	61.5	67%	0.665	30%	0.299	S	S	*	.	H	α-helix	trans	-53.9	-43	-176.5	-173	175	-175.7	-86.5	0	112.7	L496 L497 E498	K494-L496 VanDerWaalsContact C-N 3.28Å; K494-L496 PolarHBondContact O-N 2.74Å; K494-L497 PolarHBondContact O-N 2.85Å; K494-E498 VanDerWaalsContact CE-OE1 3.27Å; K494-E498 WeakPolarHBondContact CE-OE1 3.4Å; K494-E498 HydrophobicContact CG-CG 4.48Å; K494-E498 WeakPolarHBondContact CG-OE1 3.35Å; K494-E498 IonicContact NZ-OE1 2.63Å; K494-E498 PolarHBondContact NZ-OE1 2.98Å; K494-E498 WeakPolarHBondContact O-CG 3.39Å; K494-E498 PolarHBondContact O-N 2.96Å
495	S	96	Very high	93.9	Very high	29 Å²	29	63.2 Å²	63.2	20%	0.203	31%	0.309	C	S	.	.	H	α-helix	trans	-53.9	-42.9	175.3	57.5	0	0	0	0	112.9	N446 N447 P493 V499	N446-S495 PolarHBondContact O-OG 3.31Å; N447-S495 PolarHBondContact ND2-OG 2.82Å; P493-S495 VanDerWaalsContact C-N 3.28Å; P493-S495 PolarHBondContact O-N 3.4Å; S495-V499 WeakPolarHBondContact O-CG2 3.24Å; S495-V499 PolarHBondContact O-N 2.7Å; S495-V499 VanDerWaalsContact O-N 3.16Å
496	L	96.7	Very high	94.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-77.5	-34.8	-176.1	-169.9	58.7	0	0	0	111.8	V362 A448 L476 L492 P493 K494 V499 L500 I586	V362-L496 HydrophobicContact CG1-CD2 4.19Å; V362-L496 HydrophobicContact CG2-CD2 4.07Å; A448-L496 HydrophobicContact CB-CD1 3.98Å; A448-L496 HydrophobicContact CB-CD2 4.23Å; L476-L496 HydrophobicContact CD1-CD2 4.38Å; L492-L496 HydrophobicContact CD2-CD2 4.1Å; P493-L496 HydrophobicContact CG-CB 3.81Å; P493-L496 HydrophobicContact CG-CD2 4.44Å; P493-L496 PolarHBondContact O-N 3.41Å; K494-L496 VanDerWaalsContact C-N 3.28Å; K494-L496 PolarHBondContact O-N 2.74Å; L496-V499 HydrophobicContact CD1-CG2 4.27Å; L496-L500 HydrophobicContact CD1-CD1 4.07Å; L496-L500 HydrophobicContact CD1-CG 4.26Å; L496-L500 HydrophobicContact CG-CD1 3.97Å; L496-L500 VanDerWaalsContact O-CB 3.29Å; L496-L500 WeakPolarHBondContact O-CB 3.41Å; L496-L500 VanDerWaalsContact O-CG 3.24Å; L496-L500 WeakPolarHBondContact O-CG 3.48Å; L496-L500 PolarHBondContact O-N 2.94Å; L496-L500 VanDerWaalsContact O-N 3.14Å; L496-I586 HydrophobicContact CD1-CD1 3.9Å; L496-I586 HydrophobicContact CD1-CG1 3.7Å; L496-I586 HydrophobicContact CD1-CG2 4.11Å
497	L	97.1	Very high	95.5	Very high	29 Å²	29	53.3 Å²	53.3	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-43.7	171.1	-69.4	170.5	0	0	0	111.6	L492 P493 K494 N501 I502 Q504 V507	L492-L497 HydrophobicContact CB-CD2 3.85Å; L492-L497 HydrophobicContact CB-CG 3.88Å; L492-L497 HydrophobicContact CD1-CD2 4.05Å; L492-L497 HydrophobicContact CG-CD2 4.37Å; P493-L497 PolarHBondContact O-N 2.91Å; P493-L497 VanDerWaalsContact O-N 3.09Å; K494-L497 PolarHBondContact O-N 2.85Å; L497-N501 PolarHBondContact O-N 3.33Å; L497-N501 VanDerWaalsContact O-N 3.13Å; L497-I502 WeakPolarHBondContact CB-O 3.43Å; L497-I502 VanDerWaalsContact CD2-O 3.31Å; L497-I502 WeakPolarHBondContact CD2-O 3.32Å; L497-I502 PolarHBondContact O-N 3.27Å; L497-Q504 HydrophobicContact CD1-CB 4.21Å; L497-Q504 HydrophobicContact CD2-CB 4.41Å; L497-V507 HydrophobicContact CD2-CG2 3.61Å
498	E	96.3	Very high	95.7	Very high	110 Å²	110	55.7 Å²	55.7	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-52.3	179.6	-74.5	168	173.1	0	0	111.9	K494 L500 N501	K494-E498 VanDerWaalsContact CE-OE1 3.27Å; K494-E498 WeakPolarHBondContact CE-OE1 3.4Å; K494-E498 HydrophobicContact CG-CG 4.48Å; K494-E498 WeakPolarHBondContact CG-OE1 3.35Å; K494-E498 IonicContact NZ-OE1 2.63Å; K494-E498 PolarHBondContact NZ-OE1 2.98Å; K494-E498 WeakPolarHBondContact O-CG 3.39Å; K494-E498 PolarHBondContact O-N 2.96Å; E498-L500 PolarHBondContact O-N 3Å; E498-N501 WeakPolarHBondContact O-CA 3.08Å; E498-N501 PolarHBondContact O-N 3.39Å
499	V	96.6	Very high	95.8	Very high	45 Å²	45	59.8 Å²	59.8	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-72.8	-27.9	-176.5	-57.7	0	0	0	0	114	N446 S495 L496 N501	N446-V499 HydrophobicContact CB-CG2 4.08Å; S495-V499 WeakPolarHBondContact O-CG2 3.24Å; S495-V499 PolarHBondContact O-N 2.7Å; S495-V499 VanDerWaalsContact O-N 3.16Å; L496-V499 HydrophobicContact CD1-CG2 4.27Å; V499-N501 PolarHBondContact O-N 2.98Å
500	L	95.9	Very high	95.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-75.1	-14	169.1	-68	173.8	0	0	0	112.8	L476 L492 L496 E498 I502 I510 N582 R585 I586	L476-L500 HydrophobicContact CD1-CD1 4.43Å; L476-L500 HydrophobicContact CD2-CD1 4.47Å; L492-L500 HydrophobicContact CD1-CD1 4.22Å; L496-L500 HydrophobicContact CD1-CD1 4.07Å; L496-L500 HydrophobicContact CD1-CG 4.26Å; L496-L500 HydrophobicContact CG-CD1 3.97Å; L496-L500 VanDerWaalsContact O-CB 3.29Å; L496-L500 WeakPolarHBondContact O-CB 3.41Å; L496-L500 VanDerWaalsContact O-CG 3.24Å; L496-L500 WeakPolarHBondContact O-CG 3.48Å; L496-L500 PolarHBondContact O-N 2.94Å; L496-L500 VanDerWaalsContact O-N 3.14Å; E498-L500 PolarHBondContact O-N 3Å; L500-I502 HydrophobicContact CB-CB 4.39Å; L500-I502 HydrophobicContact CB-CD1 3.62Å; L500-I502 HydrophobicContact CB-CG1 3.94Å; L500-I502 HydrophobicContact CD1-CD1 4.18Å; L500-I502 HydrophobicContact CG-CD1 4.43Å; L500-I502 WeakPolarHBondContact O-CG1 3.42Å; L500-I510 HydrophobicContact CD1-CD1 4.31Å; L500-N582 HydrophobicContact CD2-CB 4.11Å; L500-R585 HydrophobicContact CD2-CB 4.13Å; L500-I586 HydrophobicContact CD2-CD1 4.09Å; L500-I586 HydrophobicContact CD2-CG1 3.71Å; L500-I586 HydrophobicContact CG-CG1 4.22Å
501	N	96.1	Very high	95.6	Very high	58 Å²	58	57.8 Å²	57.8	31%	0.31	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	42.9	-169.4	-169.7	30.4	0	0	0	113.5	Y236 R237 L497 E498 V499	Y236-N501 WeakPolarHBondContact CD1-OD1 3.35Å; R237-N501 WeakPolarHBondContact CB-O 3.31Å; R237-N501 PolarHBondContact N-O 3.4Å; L497-N501 PolarHBondContact O-N 3.33Å; L497-N501 VanDerWaalsContact O-N 3.13Å; E498-N501 WeakPolarHBondContact O-CA 3.08Å; E498-N501 PolarHBondContact O-N 3.39Å; V499-N501 PolarHBondContact O-N 2.98Å
502	I	95.5	Very high	95.6	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	23%	0.233	C	C	.	.			trans	-122.8	135.4	-174.1	-61.7	167.6	0	0	0	110.2	R237 P239 L497 L500 K506 V507 I510	R237-I502 HydrophobicContact CB-CG1 4.07Å; R237-I502 HydrophobicContact CG-CG1 4.33Å; P239-I502 HydrophobicContact CG-CD1 3.56Å; P239-I502 HydrophobicContact CG-CG1 4.06Å; P239-I502 HydrophobicContact CG-CG2 4.47Å; L497-I502 WeakPolarHBondContact CB-O 3.43Å; L497-I502 VanDerWaalsContact CD2-O 3.31Å; L497-I502 WeakPolarHBondContact CD2-O 3.32Å; L497-I502 PolarHBondContact O-N 3.27Å; L500-I502 HydrophobicContact CB-CB 4.39Å; L500-I502 HydrophobicContact CB-CD1 3.62Å; L500-I502 HydrophobicContact CB-CG1 3.94Å; L500-I502 HydrophobicContact CD1-CD1 4.18Å; L500-I502 HydrophobicContact CG-CD1 4.43Å; L500-I502 WeakPolarHBondContact O-CG1 3.42Å; I502-K506 HydrophobicContact CG2-CB 3.91Å; I502-V507 HydrophobicContact CG2-CG2 4.01Å; I502-I510 HydrophobicContact CD1-CD1 3.58Å; I502-I510 HydrophobicContact CD1-CG1 3.89Å
503	R	95.9	Very high	95.7	Very high	95 Å²	95	48.5 Å²	48.5	36%	0.358	23%	0.23	S	C	.	.			trans	-79.2	146.7	168.3	-67.8	170.5	71.2	-160.5	10.2	111.1	D232 Y236 S505 K506 V507	D232-R503 WeakPolarHBondContact OD2-CD 3.19Å; D232-R503 IonicContact OD2-CZ 3.7Å; D232-R503 IonicContact OD2-NH1 3.51Å; D232-R503 PolarHBondContact OD2-NH1 2.78Å; Y236-R503 HydrophobicContact CD1-CG 3.72Å; Y236-R503 VanDerWaalsContact CD2-CD 3.41Å; Y236-R503 HydrophobicContact CD2-CG 3.6Å; Y236-R503 HydrophobicContact CE1-CG 4.07Å; Y236-R503 HydrophobicContact CE2-CG 3.94Å; Y236-R503 HydrophobicContact CG-CG 3.46Å; Y236-R503 VanDerWaalsContact CG-CG 3.46Å; R503-S505 PolarHBondContact O-N 2.67Å; R503-K506 HydrophobicContact CB-CG 4.4Å; R503-K506 WeakPolarHBondContact O-CA 3.33Å; R503-K506 WeakPolarHBondContact O-CB 3.34Å; R503-K506 PolarHBondContact O-N 3.25Å; R503-V507 PolarHBondContact O-N 3.22Å
504	Q	96.3	Very high	95.7	Very high	67 Å²	67	46.8 Å²	46.8	31%	0.313	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-29	179	-176.4	55.8	77.9	0	0	114.1	Q490 L497 K506	Q490-Q504 PolarHBondContact O-NE2 2.75Å; L497-Q504 HydrophobicContact CD1-CB 4.21Å; L497-Q504 HydrophobicContact CD2-CB 4.41Å; Q504-K506 VanDerWaalsContact C-N 3.3Å; Q504-K506 PolarHBondContact O-N 2.71Å
505	S	94.9	Very high	95.8	Very high	72 Å²	72	39.5 Å²	39.5	50%	0.503	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.6	174.3	56.3	0	0	0	0	114.6	R503	R503-S505 PolarHBondContact O-N 2.67Å
506	K	94.6	Very high	95.8	Very high	47 Å²	47	38.3 Å²	38.3	20%	0.204	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-8.9	179.4	-53.8	-60	-176.4	170	0	113.2	D232 I238 I502 R503 Q504 R508 Y509	D232-K506 WeakPolarHBondContact OD2-CE 3.21Å; I238-K506 HydrophobicContact CG1-CD 4.14Å; I502-K506 HydrophobicContact CG2-CB 3.91Å; R503-K506 HydrophobicContact CB-CG 4.4Å; R503-K506 WeakPolarHBondContact O-CA 3.33Å; R503-K506 WeakPolarHBondContact O-CB 3.34Å; R503-K506 PolarHBondContact O-N 3.25Å; Q504-K506 VanDerWaalsContact C-N 3.3Å; Q504-K506 PolarHBondContact O-N 2.71Å; K506-R508 PolarHBondContact O-N 3.41Å; K506-R508 VanDerWaalsContact O-N 3.07Å; K506-Y509 HydrophobicContact CB-CD2 4.34Å; K506-Y509 HydrophobicContact CD-CD2 4.47Å; K506-Y509 HydrophobicContact CD-CE2 4.1Å; K506-Y509 VanDerWaalsContact O-CD2 3.28Å; K506-Y509 WeakPolarHBondContact O-CD2 3.42Å; K506-Y509 PolarHBondContact O-N 3.05Å; K506-Y509 VanDerWaalsContact O-N 3.12Å
507	V	95.3	Very high	95.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-55.6	-27.4	176	170.8	0	0	0	0	112.6	H479 Q490 L492 L497 I502 R503 Y509 I510	H479-V507 PolarHBondContact CE1-O 3.27Å; H479-V507 PolarHBondContact NE2-O 3.24Å; Q490-V507 HydrophobicContact CB-CG1 4.3Å; Q490-V507 WeakPolarHBondContact O-CG1 3.35Å; L492-V507 HydrophobicContact CD1-CG1 4.02Å; L492-V507 HydrophobicContact CD1-CG2 3.69Å; L492-V507 HydrophobicContact CG-CG1 4.02Å; L492-V507 HydrophobicContact CG-CG2 4.06Å; L497-V507 HydrophobicContact CD2-CG2 3.61Å; I502-V507 HydrophobicContact CG2-CG2 4.01Å; R503-V507 PolarHBondContact O-N 3.22Å; V507-Y509 PolarHBondContact O-N 3.5Å; V507-I510 HydrophobicContact CB-CD1 4.36Å; V507-I510 HydrophobicContact CG1-CD1 4.09Å; V507-I510 HydrophobicContact CG2-CD1 4.29Å; V507-I510 WeakPolarHBondContact O-CB 3.45Å; V507-I510 WeakPolarHBondContact O-CG1 3.38Å; V507-I510 PolarHBondContact O-N 2.87Å
508	R	94.1	Very high	95.7	Very high	150 Å²	150	37.1 Å²	37.1	57%	0.566	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-61.3	-6.8	177.2	81.8	-171.3	-47.9	-175.4	7.7	115.9	H479 P489 K506	H479-R508 VanDerWaalsContact NE2-CA 3.34Å; H479-R508 WeakPolarHBondContact NE2-CA 3.15Å; H479-R508 PolarHBondContact NE2-O 2.91Å; P489-R508 HydrophobicContact CB-CB 3.93Å; P489-R508 HydrophobicContact CG-CB 3.69Å; K506-R508 PolarHBondContact O-N 3.41Å; K506-R508 VanDerWaalsContact O-N 3.07Å
509	Y	92.5	Very high	95.6	Very high	111 Å²	111	32 Å²	32	44%	0.435	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-107.8	-3.6	177.9	-52.8	-67.3	0	0	0	112.9	I238 P239 K506 V507 G511	I238-Y509 HydrophobicContact CG2-CD2 4.06Å; I238-Y509 HydrophobicContact CG2-CE2 4.44Å; P239-Y509 WeakPolarHBondContact O-CB 3.34Å; K506-Y509 HydrophobicContact CB-CD2 4.34Å; K506-Y509 HydrophobicContact CD-CD2 4.47Å; K506-Y509 HydrophobicContact CD-CE2 4.1Å; K506-Y509 VanDerWaalsContact O-CD2 3.28Å; K506-Y509 WeakPolarHBondContact O-CD2 3.42Å; K506-Y509 PolarHBondContact O-N 3.05Å; K506-Y509 VanDerWaalsContact O-N 3.12Å; V507-Y509 PolarHBondContact O-N 3.5Å; Y509-G511 PolarHBondContact O-N 3.41Å
510	I	94.3	Very high	95.4	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-69.4	128.6	174.6	-60.9	179.6	0	0	0	108.6	P239 L476 L492 L500 I502 V507	P239-I510 HydrophobicContact CB-CG1 4.27Å; P239-I510 HydrophobicContact CG-CG1 3.73Å; L476-I510 HydrophobicContact CD1-CD1 4.44Å; L476-I510 HydrophobicContact CD1-CG2 4.31Å; L476-I510 HydrophobicContact CG-CG2 4.12Å; L492-I510 HydrophobicContact CD1-CD1 3.9Å; L500-I510 HydrophobicContact CD1-CD1 4.31Å; I502-I510 HydrophobicContact CD1-CD1 3.58Å; I502-I510 HydrophobicContact CD1-CG1 3.89Å; V507-I510 HydrophobicContact CB-CD1 4.36Å; V507-I510 HydrophobicContact CG1-CD1 4.09Å; V507-I510 HydrophobicContact CG2-CD1 4.29Å; V507-I510 WeakPolarHBondContact O-CB 3.45Å; V507-I510 WeakPolarHBondContact O-CG1 3.38Å; V507-I510 PolarHBondContact O-N 2.87Å
511	G	93.6	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-74.1	159.6	177.3	0	0	0	0	0	112.4	E241 Y509 H513	E241-G511 PolarHBondContact OE2-N 2.86Å; Y509-G511 PolarHBondContact O-N 3.41Å; G511-H513 PolarHBondContact O-CE1 3.29Å; G511-H513 PolarHBondContact O-N 3.38Å; G511-H513 PolarHBondContact O-ND1 2.9Å
512	L	96.5	Very high	94.5	Very high	4 Å²	4	33 Å²	33	2%	0.021	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-65.8	117.6	175.9	-176.8	67.4	0	0	0	110.5	D327 I475 D478 L514	D327-L512 HydrophobicContact CB-CB 3.85Å; D327-L512 HydrophobicContact CB-CD2 3.98Å; I475-L512 HydrophobicContact CB-CD1 4.09Å; I475-L512 HydrophobicContact CG2-CD1 3.78Å; I475-L512 HydrophobicContact CG2-CG 4.49Å; D478-L512 HydrophobicContact CB-CD1 3.57Å; L512-L514 HydrophobicContact CD2-CB 3.95Å; L512-L514 HydrophobicContact CD2-CD2 4.36Å; L512-L514 HydrophobicContact CG-CB 3.85Å; L512-L514 PolarHBondContact O-N 3.03Å
513	H	97.6	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.156	C	C	.	.			trans	-82.9	58.9	176.8	-71.4	62.8	0	0	0	111.1	E241 C359 I360 I475 L476 G511 H578 F579 N582	E241-H513 IonicContact OE2-CE1 3.76Å; E241-H513 PolarHBondContact OE2-CE1 3.11Å; C359-H513 WeakPolarHBondContact CA-O 3.33Å; C359-H513 WeakPolarHBondContact CB-O 3.38Å; I360-H513 HydrophobicContact CB-CB 3.97Å; I360-H513 HydrophobicContact CG1-CB 4.34Å; I360-H513 PolarHBondContact N-O 3.48Å; I475-H513 HydrophobicContact CG2-CB 4.23Å; I475-H513 VanDerWaalsContact CG2-O 3.27Å; I475-H513 WeakPolarHBondContact CG2-O 3.41Å; L476-H513 HydrophobicContact CB-CB 4.14Å; L476-H513 PolarHBondContact O-N 3.23Å; L476-H513 PolarHBondContact O-ND1 3.39Å; G511-H513 PolarHBondContact O-CE1 3.29Å; G511-H513 PolarHBondContact O-N 3.38Å; G511-H513 PolarHBondContact O-ND1 2.9Å; H513-H578 AromaticContact NE2-CD2 3.94Å; H513-F579 HydrophobicContact CB-CD2 4.17Å; H513-F579 HydrophobicContact CB-CE2 4.13Å; H513-N582 PolarHBondContact CE1-ND2 3.32Å; H513-N582 WeakPolarHBondContact NE2-CB 3.3Å; H513-N582 PolarHBondContact NE2-ND2 2.94Å
514	L	97.9	Very high	92.7	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.3	174	-179.1	56.5	0	0	0	109.6	S329 Y357 C359 I463 R464 I475 L512	S329-L514 PolarHBondContact N-O 2.9Å; S329-L514 VanDerWaalsContact N-O 3.14Å; S329-L514 PolarHBondContact OG-O 3.17Å; Y357-L514 HydrophobicContact CD1-CD1 3.86Å; Y357-L514 HydrophobicContact CD1-CG 4.34Å; Y357-L514 HydrophobicContact CG-CD1 4.23Å; C359-L514 HydrophobicContact CB-CD1 3.96Å; I463-L514 HydrophobicContact CG2-CD1 4.37Å; R464-L514 HydrophobicContact CG-CD2 3.78Å; I475-L514 HydrophobicContact CD1-CB 4.04Å; I475-L514 HydrophobicContact CD1-CD1 4.04Å; I475-L514 HydrophobicContact CD1-CD2 3.96Å; I475-L514 HydrophobicContact CD1-CG 4.24Å; I475-L514 HydrophobicContact CG2-CB 4.47Å; L512-L514 HydrophobicContact CD2-CB 3.95Å; L512-L514 HydrophobicContact CD2-CD2 4.36Å; L512-L514 HydrophobicContact CG-CB 3.85Å; L512-L514 PolarHBondContact O-N 3.03Å
515	H	97.8	Very high	91.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120	-177.6	-175.5	76	0	0	0	110.4	S329 G330 Y357 L358 L517 A573 P574 L575 P576 F579	S329-H515 CarbonylContact O-C 3.5Å; S329-H515 WeakPolarHBondContact O-CA 3.26Å; S329-H515 PolarHBondContact OG-ND1 2.95Å; G330-H515 WeakPolarHBondContact CA-CE1 3.11Å; Y357-H515 CarbonylContact C-O 3.6Å; Y357-H515 VanDerWaalsContact CA-O 3.22Å; Y357-H515 WeakPolarHBondContact CA-O 3.4Å; L358-H515 PolarHBondContact N-O 2.81Å; L358-H515 PolarHBondContact O-N 3.34Å; H515-L517 PolarHBondContact O-N 3.21Å; H515-A573 PolarHBondContact NE2-O 3.26Å; H515-P574 PolarHBondContact CE1-O 3.47Å; H515-P574 VanDerWaalsContact CE1-O 3.24Å; H515-P574 PolarHBondContact NE2-O 2.93Å; H515-L575 HydrophobicContact CB-CD2 4.1Å; H515-P576 WeakPolarHBondContact ND1-CD 3.02Å; H515-F579 HydrophobicContact CB-CD2 4.42Å; H515-F579 HydrophobicContact CB-CE2 4.3Å
516	A	97.6	Very high	89.6	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.025	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	103.3	167.6	0	0	0	0	0	108.3	L324 S329 G330 I331 Y357	L324-A516 HydrophobicContact CD1-CB 3.82Å; L324-A516 HydrophobicContact CD2-CB 3.9Å; S329-A516 PolarHBondContact O-N 3.42Å; G330-A516 CarbonylContact C-O 3.47Å; G330-A516 VanDerWaalsContact CA-O 3.25Å; G330-A516 WeakPolarHBondContact CA-O 3.47Å; I331-A516 HydrophobicContact CG2-CB 4.07Å; I331-A516 WeakPolarHBondContact CG2-O 3.44Å; I331-A516 PolarHBondContact N-O 2.97Å; Y357-A516 HydrophobicContact CD1-CB 3.92Å; Y357-A516 HydrophobicContact CE1-CB 3.65Å
517	L	95.7	Very high	87.5	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-52	-167.8	174.1	64	0	0	0	111.4	D356 L358 L452 H515 S572 A573 L594 L597	D356-L517 WeakPolarHBondContact O-CA 3.11Å; D356-L517 WeakPolarHBondContact O-CB 3.41Å; D356-L517 PolarHBondContact O-N 3.12Å; L358-L517 HydrophobicContact CB-CB 4.41Å; L358-L517 HydrophobicContact CB-CD2 4.41Å; L452-L517 HydrophobicContact CD1-CD2 3.91Å; H515-L517 PolarHBondContact O-N 3.21Å; L517-S572 CarbonylContact O-C 3.55Å; L517-S572 WeakPolarHBondContact O-CA 3.42Å; L517-S572 WeakPolarHBondContact O-CB 3.48Å; L517-A573 PolarHBondContact O-N 3.42Å; L517-L594 HydrophobicContact CD2-CD1 4.19Å; L517-L594 HydrophobicContact CD2-CD2 4.13Å; L517-L597 HydrophobicContact CD1-CD1 3.28Å; L517-L597 HydrophobicContact CD1-CD2 3.44Å; L517-L597 VanDerWaalsContact CD1-CD2 3.44Å; L517-L597 HydrophobicContact CD1-CG 3.97Å
518	S	94.7	Very high	84.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.5	179.3	40.2	0	0	0	0	114.1	D356 H520 K570 F571	D356-S518 PolarHBondContact N-O 3.07Å; D356-S518 PolarHBondContact O-N 3.35Å; D356-S518 VanDerWaalsContact O-N 3.17Å; S518-H520 PolarHBondContact OG-NE2 2.95Å; S518-H520 VanDerWaalsContact OG-NE2 3.13Å; S518-K570 WeakPolarHBondContact OG-CE 3.47Å; S518-F571 CarbonylContact C-O 3.56Å; S518-F571 WeakPolarHBondContact CA-O 3.3Å; S518-F571 WeakPolarHBondContact CB-O 3.43Å
519	L	94.8	Very high	82.2	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.9	169.1	-59.1	173.3	0	0	0	107.8	I331 L333 F348 I353 K354 K355 L521 K570 F571	I331-L519 HydrophobicContact CG1-CD1 3.92Å; I331-L519 HydrophobicContact CG1-CG 4.16Å; I331-L519 HydrophobicContact CG2-CD1 4.28Å; I331-L519 HydrophobicContact CG2-CD2 4.41Å; I331-L519 HydrophobicContact CG2-CG 3.79Å; L333-L519 HydrophobicContact CD1-CD1 3.72Å; L333-L519 HydrophobicContact CD2-CD1 4.18Å; L333-L519 HydrophobicContact CG-CD1 3.55Å; F348-L519 HydrophobicContact CZ-CD1 4.44Å; I353-L519 HydrophobicContact CG2-CB 4.04Å; I353-L519 HydrophobicContact CG2-CD2 4.14Å; K354-L519 WeakPolarHBondContact O-CA 3.31Å; K355-L519 HydrophobicContact CB-CD2 4.11Å; K355-L519 HydrophobicContact CG-CD2 3.36Å; L519-L521 HydrophobicContact CB-CD1 4.28Å; L519-K570 VanDerWaalsContact O-CA 3.31Å; L519-K570 WeakPolarHBondContact O-CA 3.46Å; L519-F571 PolarHBondContact N-O 2.98Å; L519-F571 PolarHBondContact O-N 3.46Å
520	H	92.1	Very high	79.7	Confident	38 Å²	38	38.3 Å²	38.3	18%	0.176	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.2	176.4	-62.4	-120	0	0	0	108.3	I353 K354 D356 S518 K570	I353-H520 WeakPolarHBondContact CA-O 3.31Å; K354-H520 HydrophobicContact CB-CB 4.32Å; K354-H520 PolarHBondContact N-O 3.2Å; K354-H520 PolarHBondContact O-N 2.97Å; D356-H520 IonicContact OD2-CD2 2.79Å; D356-H520 IonicContact OD2-CE1 2.81Å; D356-H520 IonicContact OD2-NE2 3.26Å; D356-H520 PolarHBondContact OD2-NE2 3.12Å; S518-H520 PolarHBondContact OG-NE2 2.95Å; S518-H520 VanDerWaalsContact OG-NE2 3.13Å; H520-K570 WeakPolarHBondContact NE2-CE 3.32Å
521	L	91.3	Very high	76.8	Confident	7 Å²	7	43 Å²	43	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.2	-178.5	-69.4	71.2	0	0	0	107.8	I353 L519 F544 I547 L569 F571	I353-L521 HydrophobicContact CD1-CG 4.2Å; I353-L521 HydrophobicContact CG1-CG 4.13Å; I353-L521 HydrophobicContact CG2-CD1 4.39Å; L519-L521 HydrophobicContact CB-CD1 4.28Å; L521-F544 HydrophobicContact CB-CD2 4.04Å; L521-F544 HydrophobicContact CB-CE1 4.32Å; L521-F544 HydrophobicContact CB-CE2 3.8Å; L521-F544 HydrophobicContact CB-CG 4.4Å; L521-F544 HydrophobicContact CB-CZ 3.95Å; L521-F544 HydrophobicContact CD2-CD1 3.76Å; L521-F544 HydrophobicContact CD2-CE1 3.8Å; L521-F544 HydrophobicContact CD2-CG 4.19Å; L521-F544 HydrophobicContact CD2-CZ 4.27Å; L521-F544 HydrophobicContact CG-CE1 4.31Å; L521-F544 HydrophobicContact CG-CZ 4.31Å; L521-I547 HydrophobicContact CD2-CD1 3.31Å; L521-L569 HydrophobicContact CB-CB 3.99Å; L521-L569 WeakPolarHBondContact CD1-O 3.23Å; L521-L569 HydrophobicContact CD2-CB 4.44Å; L521-L569 PolarHBondContact N-O 2.97Å; L521-F571 HydrophobicContact CD1-CD2 3.92Å; L521-F571 HydrophobicContact CD1-CE2 4.14Å; L521-F571 HydrophobicContact CD2-CE2 4.47Å
522	H	82.4	Confident	73.8	Confident	79 Å²	79	48.7 Å²	48.7	37%	0.366	32%	0.319	S	S	.	.			trans	-142.9	127.5	-172.5	177.9	-100.4	0	0	0	110.3	W352 F421	W352-H522 CarbonylContact C-O 3.41Å; W352-H522 WeakPolarHBondContact CA-O 3.22Å; W352-H522 WeakPolarHBondContact CB-O 3.24Å; W352-H522 PolarHBondContact O-N 3.47Å; F421-H522 AromaticContact CD1-CE1 3.9Å; F421-H522 AromaticContact CD1-ND1 3.47Å; F421-H522 WeakPolarHBondContact CD1-ND1 3.41Å; F421-H522 HydrophobicContact CD2-CB 4.02Å; F421-H522 AromaticContact CD2-ND1 3.8Å; F421-H522 AromaticContact CE1-CE1 3.77Å; F421-H522 AromaticContact CE1-ND1 3.19Å; F421-H522 WeakPolarHBondContact CE1-ND1 3.25Å; F421-H522 HydrophobicContact CE2-CB 3.79Å; F421-H522 AromaticContact CE2-ND1 3.54Å; F421-H522 AromaticContact CG-ND1 3.8Å; F421-H522 HydrophobicContact CZ-CB 4.3Å; F421-H522 AromaticContact CZ-ND1 3.24Å; F421-H522 WeakPolarHBondContact CZ-ND1 3.33Å
523	I	79.5	Confident	70.8	Confident	33 Å²	33	53 Å²	53	17%	0.169	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-97.1	117.1	176.3	-53.2	172.4	0	0	0	106.4	W352 N540 F543 F544	W352-I523 HydrophobicContact CD2-CG1 4.35Å; W352-I523 HydrophobicContact CD2-CG2 4.41Å; W352-I523 HydrophobicContact CE3-CG1 4.31Å; W352-I523 HydrophobicContact CZ2-CG2 4.12Å; I523-N540 WeakPolarHBondContact CD1-O 3.44Å; I523-N540 HydrophobicContact CG2-CB 4.31Å; I523-F543 HydrophobicContact CD1-CB 3.79Å; I523-F544 HydrophobicContact CD1-CD2 4.06Å; I523-F544 HydrophobicContact CD1-CE2 4.11Å; I523-F544 HydrophobicContact CG1-CD2 4.02Å; I523-F544 HydrophobicContact CG1-CE2 3.62Å
524	P	73	Confident	67.7	Low	15 Å²	15	62 Å²	62	10%	0.097	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-61.2	143	177.6	27.3	-33.7	0	0	0	109.7	F421 Y425 S526	F421-P524 HydrophobicContact CE1-CB 4.29Å; Y425-P524 HydrophobicContact CD2-CB 4.44Å; Y425-P524 HydrophobicContact CD2-CG 4.5Å; Y425-P524 HydrophobicContact CE1-CB 4.27Å; Y425-P524 HydrophobicContact CE2-CB 4Å; Y425-P524 HydrophobicContact CE2-CG 3.74Å; P524-S526 PolarHBondContact O-N 3.01Å
525	P	65.9	Low	64.4	Low	116 Å²	116	65.6 Å²	65.6	75%	0.753	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-59.2	127.6	175	25.3	-33.2	0	0	0	109.4	S527	P525-S527 PolarHBondContact O-N 2.66Å
526	S	61.2	Low	61.3	Low	70 Å²	70	70.3 Å²	70.3	49%	0.49	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-63	130.9	174	47.5	0	0	0	0	109.2	P524 S528	P524-S526 PolarHBondContact O-N 3.01Å; S526-S528 PolarHBondContact O-N 2.86Å; S526-S528 PolarHBondContact OG-OG 3.44Å
527	S	49.4	Very low	58.3	Low	115 Å²	115	76 Å²	76	80%	0.804	50%	0.495	S	S	*	.	S	Bend	trans	-69.1	21.3	-175.4	55	0	0	0	0	114.9	P525 S529	P525-S527 PolarHBondContact O-N 2.66Å; S527-S529 PolarHBondContact O-N 3.1Å
528	S	40.9	Very low	55.4	Low	92 Å²	92	80.3 Å²	80.3	64%	0.643	52%	0.522	S	S	*	.			trans	-94.8	57.3	174.9	61.2	0	0	0	0	110.6	S526	S526-S528 PolarHBondContact O-N 2.86Å; S526-S528 PolarHBondContact OG-OG 3.44Å
529	S	36.9	Very low	52.9	Low	111 Å²	111	87.2 Å²	87.2	78%	0.776	56%	0.559	S	S	*	*			trans	-115	42.6	173.8	62.5	0	0	0	0	112	S527	S527-S529 PolarHBondContact O-N 3.1Å
530	S	40.1	Very low	51	Low	104 Å²	104	90.9 Å²	90.9	73%	0.727	58%	0.578	S	S	*	*			trans	-85.9	97.5	159	32	0	0	0	0	109.3
531	S	33.5	Very low	49.3	Very low	104 Å²	104	95.9 Å²	95.9	73%	0.727	60%	0.602	S	S	*	*	S	Bend	trans	34.5	125.1	148.7	56.1	0	0	0	0	119.9
532	S	31.4	Very low	48.5	Very low	118 Å²	118	97.1 Å²	97.1	83%	0.825	62%	0.616	S	S	*	*			trans	86.8	88.3	161.1	76.1	0	0	0	0	119
533	S	32.5	Very low	48.6	Very low	95 Å²	95	95.7 Å²	95.7	66%	0.664	61%	0.609	S	S	*	*				178	140.3	116.9	42.4	0	0	0	0	111.3	S535	S533-S535 VanDerWaalsContact C-N 3.27Å; S533-S535 PolarHBondContact O-N 3.24Å
534	L	32.8	Very low	48.9	Very low	189 Å²	189	94.6 Å²	94.6	99%	0.99	60%	0.603	S	S	*	*	S	Bend	trans	-80.9	69.9	172.9	-94.1	65.7	0	0	0	110.1
535	S	29.7	Very low	49.5	Very low	81 Å²	81	97.8 Å²	97.8	57%	0.566	62%	0.619	S	S	*	*			trans	-164.2	143	171.4	45.4	0	0	0	0	111.9	S533	S533-S535 VanDerWaalsContact C-N 3.27Å; S533-S535 PolarHBondContact O-N 3.24Å
536	S	32.6	Very low	50.5	Low	100 Å²	100	93.5 Å²	93.5	70%	0.699	59%	0.589	S	S	*	*			trans	64	74.1	-178.1	58.2	0	0	0	0	117.2	T538	S536-T538 PolarHBondContact O-N 3.05Å
537	S	33.3	Very low	51.7	Low	121 Å²	121	90.2 Å²	90.2	85%	0.846	57%	0.566	S	S	*	*			trans	-78.4	23.7	162.1	-50.1	0	0	0	0	113.5
538	T	35.1	Very low	53	Low	95 Å²	95	87.7 Å²	87.7	58%	0.583	54%	0.539	S	S	*	.			trans	-110.1	131.2	173.1	56.9	0	0	0	0	105.9	S536	S536-T538 PolarHBondContact O-N 3.05Å
539	N	43.5	Very low	54.1	Low	146 Å²	146	85.4 Å²	85.4	78%	0.781	52%	0.522	S	S	*	.	S	Bend		-157	-3.2	81.9	-72.4	-29	0	0	0	114.4
540	N	53	Low	54.7	Low	79 Å²	79	86.3 Å²	86.3	42%	0.422	51%	0.513	S	S	.	.	S	Bend	trans	-99.2	-28.9	-173.7	-76.3	-8.3	0	0	0	114.9	I523 G542 F543	I523-N540 WeakPolarHBondContact CD1-O 3.44Å; I523-N540 HydrophobicContact CG2-CB 4.31Å; N540-G542 PolarHBondContact O-N 2.71Å; N540-F543 PolarHBondContact O-N 3.31Å
541	E	58	Low	55.1	Low	144 Å²	144	89.2 Å²	89.2	67%	0.673	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.7	-172.8	-63.2	-165	159.1	0	0	114.7
542	G	73.4	Confident	55.9	Low	33 Å²	33	91.3 Å²	91.3	34%	0.34	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.1	-177.6	0	0	0	0	0	116.2	N540 F544 D545	N540-G542 PolarHBondContact O-N 2.71Å; G542-F544 PolarHBondContact O-N 2.76Å; G542-F544 VanDerWaalsContact O-N 3.13Å; G542-D545 WeakPolarHBondContact CA-OD2 3.4Å; G542-D545 VanDerWaalsContact O-CB 3.29Å; G542-D545 WeakPolarHBondContact O-CB 3.32Å; G542-D545 PolarHBondContact O-N 2.82Å
543	F	84.4	Confident	56.5	Low	49 Å²	49	88.8 Å²	88.8	22%	0.215	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.5	-173.8	179.7	-87.7	0	0	0	113	K343 E346 A347 W352 I523 N540 F546	K343-F543 HydrophobicContact CB-CE1 4.39Å; K343-F543 HydrophobicContact CB-CZ 4.03Å; K343-F543 HydrophobicContact CG-CZ 4.34Å; K343-F543 WeakPolarHBondContact O-CE1 3.28Å; K343-F543 WeakPolarHBondContact O-CZ 3.5Å; E346-F543 HydrophobicContact CB-CZ 4.42Å; E346-F543 HydrophobicContact CG-CZ 4.35Å; E346-F543 WeakPolarHBondContact OE2-CE2 3.29Å; A347-F543 HydrophobicContact CB-CE1 4.09Å; W352-F543 AromaticContact CE3-CD1 3.97Å; W352-F543 HydrophobicContact CE3-CD1 3.97Å; W352-F543 HydrophobicContact CE3-CE1 4.04Å; W352-F543 HydrophobicContact CE3-CG 4.36Å; W352-F543 HydrophobicContact CE3-CZ 4.45Å; W352-F543 HydrophobicContact CH2-CD2 4.42Å; W352-F543 HydrophobicContact CZ3-CB 4.38Å; W352-F543 AromaticContact CZ3-CD1 3.69Å; W352-F543 HydrophobicContact CZ3-CD1 3.69Å; W352-F543 AromaticContact CZ3-CD2 3.75Å; W352-F543 HydrophobicContact CZ3-CD2 3.75Å; W352-F543 AromaticContact CZ3-CE1 3.85Å; W352-F543 HydrophobicContact CZ3-CE1 3.85Å; W352-F543 AromaticContact CZ3-CE2 3.87Å; W352-F543 HydrophobicContact CZ3-CE2 3.87Å; W352-F543 AromaticContact CZ3-CG 3.65Å; W352-F543 HydrophobicContact CZ3-CG 3.65Å; W352-F543 AromaticContact CZ3-CZ 3.92Å; W352-F543 HydrophobicContact CZ3-CZ 3.92Å; I523-F543 HydrophobicContact CD1-CB 3.79Å; N540-F543 PolarHBondContact O-N 3.31Å; F543-F546 HydrophobicContact CE1-CE1 4.47Å; F543-F546 WeakPolarHBondContact O-CD1 3.35Å; F543-F546 VanDerWaalsContact O-CE1 3.29Å; F543-F546 WeakPolarHBondContact O-CE1 3.16Å
544	F	87.1	Confident	57.2	Low	10 Å²	10	91.5 Å²	91.5	4%	0.044	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.1	179.4	-64.6	-57.5	0	0	0	114.5	A347 W352 L521 I523 G542 F546 I547 L569	A347-F544 HydrophobicContact CB-CE1 3.57Å; A347-F544 HydrophobicContact CB-CZ 3.81Å; W352-F544 HydrophobicContact CB-CE2 4.44Å; W352-F544 HydrophobicContact CB-CZ 3.99Å; W352-F544 HydrophobicContact CE3-CZ 4.26Å; L521-F544 HydrophobicContact CB-CD2 4.04Å; L521-F544 HydrophobicContact CB-CE1 4.32Å; L521-F544 HydrophobicContact CB-CE2 3.8Å; L521-F544 HydrophobicContact CB-CG 4.4Å; L521-F544 HydrophobicContact CB-CZ 3.95Å; L521-F544 HydrophobicContact CD2-CD1 3.76Å; L521-F544 HydrophobicContact CD2-CE1 3.8Å; L521-F544 HydrophobicContact CD2-CG 4.19Å; L521-F544 HydrophobicContact CD2-CZ 4.27Å; L521-F544 HydrophobicContact CG-CE1 4.31Å; L521-F544 HydrophobicContact CG-CZ 4.31Å; I523-F544 HydrophobicContact CD1-CD2 4.06Å; I523-F544 HydrophobicContact CD1-CE2 4.11Å; I523-F544 HydrophobicContact CG1-CD2 4.02Å; I523-F544 HydrophobicContact CG1-CE2 3.62Å; G542-F544 PolarHBondContact O-N 2.76Å; G542-F544 VanDerWaalsContact O-N 3.13Å; F544-F546 HydrophobicContact CD1-CE1 4.33Å; F544-F546 PolarHBondContact O-N 3.27Å; F544-I547 HydrophobicContact CB-CD1 4.22Å; F544-I547 HydrophobicContact CD1-CD1 3.6Å; F544-I547 HydrophobicContact CE1-CD1 4.38Å; F544-I547 HydrophobicContact CG-CD1 4.3Å; F544-I547 VanDerWaalsContact O-CB 3.32Å; F544-I547 WeakPolarHBondContact O-CB 3.49Å; F544-I547 PolarHBondContact O-N 3.08Å; F544-L569 HydrophobicContact CB-CD1 3.48Å; F544-L569 VanDerWaalsContact CB-CD1 3.48Å; F544-L569 HydrophobicContact CG-CD1 4.37Å
545	D	85.1	Confident	58	Low	81 Å²	81	84.5 Å²	84.5	43%	0.433	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-62.5	-28.8	-178	-77.3	-23.1	0	0	0	113	G542 I547 R548	G542-D545 WeakPolarHBondContact CA-OD2 3.4Å; G542-D545 VanDerWaalsContact O-CB 3.29Å; G542-D545 WeakPolarHBondContact O-CB 3.32Å; G542-D545 PolarHBondContact O-N 2.82Å; D545-I547 PolarHBondContact O-N 3.39Å; D545-I547 VanDerWaalsContact O-N 3.09Å; D545-R548 WeakPolarHBondContact O-CB 3.47Å; D545-R548 PolarHBondContact O-N 3.06Å; D545-R548 WeakPolarHBondContact OD1-CD 3.34Å; D545-R548 IonicContact OD1-CZ 3.89Å; D545-R548 IonicContact OD1-NE 2.96Å; D545-R548 IonicContact OD1-NH1 3.58Å; D545-R548 PolarHBondContact OD1-NH1 3.35Å
546	F	86.9	Confident	59	Low	26 Å²	26	88 Å²	88	11%	0.114	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-60.7	-19.4	172.8	74.7	-81.9	0	0	0	113.6	N268 V269 K343 L344 F543 F544	N268-F546 HydrophobicContact CB-CD2 4.21Å; N268-F546 VanDerWaalsContact CB-O 3.28Å; N268-F546 WeakPolarHBondContact CB-O 3.45Å; N268-F546 PolarHBondContact ND2-O 3.3Å; V269-F546 HydrophobicContact CG2-CE2 4.37Å; K343-F546 HydrophobicContact CB-CD1 4.42Å; K343-F546 HydrophobicContact CB-CE1 3.63Å; K343-F546 HydrophobicContact CB-CE2 4.22Å; K343-F546 HydrophobicContact CB-CZ 3.51Å; K343-F546 HydrophobicContact CD-CD1 3.84Å; K343-F546 HydrophobicContact CD-CE1 3.9Å; K343-F546 HydrophobicContact CD-CG 4.24Å; K343-F546 HydrophobicContact CD-CZ 4.34Å; K343-F546 HydrophobicContact CG-CE1 4.33Å; L344-F546 HydrophobicContact CD1-CE2 4.4Å; L344-F546 HydrophobicContact CD2-CZ 4.15Å; L344-F546 HydrophobicContact CG-CE2 4.08Å; L344-F546 HydrophobicContact CG-CZ 3.94Å; F543-F546 HydrophobicContact CE1-CE1 4.47Å; F543-F546 WeakPolarHBondContact O-CD1 3.35Å; F543-F546 VanDerWaalsContact O-CE1 3.29Å; F543-F546 WeakPolarHBondContact O-CE1 3.16Å; F544-F546 HydrophobicContact CD1-CE1 4.33Å; F544-F546 PolarHBondContact O-N 3.27Å
547	I	85.8	Confident	60.2	Low	2 Å²	2	87.7 Å²	87.7	1%	0.01	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-88.1	-16.5	178.4	-52.1	-179.7	0	0	0	111.4	R266 V269 L344 L521 F544 D545 L569 F571	R266-I547 WeakPolarHBondContact CD-O 3.44Å; R266-I547 PolarHBondContact NH1-O 3.33Å; V269-I547 HydrophobicContact CG2-CG1 4.16Å; V269-I547 HydrophobicContact CG2-CG2 4.35Å; L344-I547 HydrophobicContact CD2-CD1 3.71Å; L521-I547 HydrophobicContact CD2-CD1 3.31Å; F544-I547 HydrophobicContact CB-CD1 4.22Å; F544-I547 HydrophobicContact CD1-CD1 3.6Å; F544-I547 HydrophobicContact CE1-CD1 4.38Å; F544-I547 HydrophobicContact CG-CD1 4.3Å; F544-I547 VanDerWaalsContact O-CB 3.32Å; F544-I547 WeakPolarHBondContact O-CB 3.49Å; F544-I547 PolarHBondContact O-N 3.08Å; D545-I547 PolarHBondContact O-N 3.39Å; D545-I547 VanDerWaalsContact O-N 3.09Å; I547-L569 HydrophobicContact CB-CD1 4.37Å; I547-F571 HydrophobicContact CG2-CE2 3.83Å; I547-F571 HydrophobicContact CG2-CZ 3.53Å
548	R	77.4	Confident	61.4	Low	62 Å²	62	86.8 Å²	86.8	23%	0.234	45%	0.451	C	S	.	.	S	Bend	trans	-85	133.3	174.8	-64.3	170.9	168.6	155.7	-7.1	108	D545 I565 L569	D545-R548 WeakPolarHBondContact O-CB 3.47Å; D545-R548 PolarHBondContact O-N 3.06Å; D545-R548 WeakPolarHBondContact OD1-CD 3.34Å; D545-R548 IonicContact OD1-CZ 3.89Å; D545-R548 IonicContact OD1-NE 2.96Å; D545-R548 IonicContact OD1-NH1 3.58Å; D545-R548 PolarHBondContact OD1-NH1 3.35Å; R548-I565 PolarHBondContact NH2-O 3.1Å; R548-L569 HydrophobicContact CG-CD1 4.21Å; R548-L569 HydrophobicContact CG-CD2 4.1Å
549	S	62.7	Low	62.2	Low	43 Å²	43	89.7 Å²	89.7	30%	0.301	46%	0.46	S	S	.	.			trans	-71.8	138.5	-179.8	48.7	0	0	0	0	111.7	E551 Y552	S549-E551 PolarHBondContact O-N 3.27Å; S549-Y552 PolarHBondContact O-N 3.37Å
550	F	50.6	Low	62.7	Low	130 Å²	130	83.9 Å²	83.9	57%	0.57	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-56.4	-24.8	-178.5	-112.7	-86.2	0	0	0	115	E267 Y552 S553	E267-F550 WeakPolarHBondContact OE2-CD2 3.2Å; F550-Y552 PolarHBondContact O-N 3.08Å; F550-Y552 VanDerWaalsContact O-N 3.14Å; F550-S553 WeakPolarHBondContact O-CB 3.49Å; F550-S553 PolarHBondContact O-N 2.78Å; F550-S553 VanDerWaalsContact O-N 3.08Å
551	E	48.4	Very low	62.5	Low	166 Å²	166	83.9 Å²	83.9	78%	0.776	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-58.8	-25.4	-176.2	-65.9	-176.1	149.3	0	0	114	S549	S549-E551 PolarHBondContact O-N 3.27Å
552	Y	49.8	Very low	62.1	Low	148 Å²	148	81.7 Å²	81.7	58%	0.58	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-94.2	-15.8	177.5	-77.8	-88.6	0	0	0	114.4	S549 F550 H554 S555 F564	S549-Y552 PolarHBondContact O-N 3.37Å; F550-Y552 PolarHBondContact O-N 3.08Å; F550-Y552 VanDerWaalsContact O-N 3.14Å; Y552-H554 PolarHBondContact O-N 3.08Å; Y552-S555 WeakPolarHBondContact O-CB 3.18Å; Y552-S555 PolarHBondContact O-N 3.01Å; Y552-S555 VanDerWaalsContact O-N 3.13Å; Y552-F564 HydrophobicContact CD1-CE2 4.5Å; Y552-F564 HydrophobicContact CD1-CZ 4.4Å; Y552-F564 HydrophobicContact CE1-CZ 4.5Å
553	S	44.9	Very low	60.8	Low	65 Å²	65	87.4 Å²	87.4	46%	0.455	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.1	177.9	-61.7	0	0	0	0	113	F550 S555 K561	F550-S553 WeakPolarHBondContact O-CB 3.49Å; F550-S553 PolarHBondContact O-N 2.78Å; F550-S553 VanDerWaalsContact O-N 3.08Å; S553-S555 VanDerWaalsContact C-N 3.33Å; S553-K561 WeakPolarHBondContact O-CE 3.36Å; S553-K561 PolarHBondContact O-NZ 2.8Å
554	H	46.7	Very low	59.1	Low	152 Å²	152	90.2 Å²	90.2	70%	0.704	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	1.9	176.1	-77.9	80.6	0	0	0	114.5	Y552 N556	Y552-H554 PolarHBondContact O-N 3.08Å; H554-N556 PolarHBondContact O-N 2.65Å; H554-N556 VanDerWaalsContact O-N 3.11Å
555	S	48.9	Very low	57.3	Low	41 Å²	41	93.3 Å²	93.3	29%	0.287	47%	0.466	S	S	.	.			trans	-67.2	112.4	168.5	-173.7	0	0	0	0	109.9	Y552 S553 N557 K561	Y552-S555 WeakPolarHBondContact O-CB 3.18Å; Y552-S555 PolarHBondContact O-N 3.01Å; Y552-S555 VanDerWaalsContact O-N 3.13Å; S553-S555 VanDerWaalsContact C-N 3.33Å; S555-N557 PolarHBondContact O-N 2.7Å; S555-K561 WeakPolarHBondContact O-CD 3.27Å; S555-K561 WeakPolarHBondContact O-CE 3.45Å; S555-K561 PolarHBondContact O-NZ 2.69Å
556	N	51.8	Low	55.6	Low	155 Å²	155	99.4 Å²	99.4	83%	0.829	48%	0.483	S	S	*	.			trans	-71.5	-1.9	175.4	-73.6	-18.9	0	0	0	113.2	H554 T558	H554-N556 PolarHBondContact O-N 2.65Å; H554-N556 VanDerWaalsContact O-N 3.11Å; N556-T558 PolarHBondContact O-N 2.92Å
557	N	58.5	Low	54.1	Low	93 Å²	93	102.6 Å²	102.6	50%	0.497	50%	0.501	S	S	.	.			trans	-83.1	104.3	178.9	-168.3	-24.4	0	0	0	110.8	S555 M559 A560 K561	S555-N557 PolarHBondContact O-N 2.7Å; N557-M559 VanDerWaalsContact C-N 3.28Å; N557-M559 PolarHBondContact O-N 3.39Å; N557-M559 WeakPolarHBondContact OD1-CB 3.39Å; N557-M559 PolarHBondContact OD1-N 3.06Å; N557-A560 HydrophobicContact CB-CB 4Å; N557-A560 WeakPolarHBondContact O-CB 3.19Å; N557-A560 PolarHBondContact O-N 3.19Å; N557-A560 PolarHBondContact OD1-N 3.48Å; N557-K561 PolarHBondContact O-N 3.13Å; N557-K561 VanDerWaalsContact O-N 3.07Å
558	T	58.2	Low	53.1	Low	102 Å²	102	107 Å²	107	63%	0.626	53%	0.529	S	S	*	.	H	α-helix	trans	-59.9	-34.2	179.9	51.3	0	0	0	0	113.1	N556 A560 K561 N562	N556-T558 PolarHBondContact O-N 2.92Å; T558-A560 VanDerWaalsContact C-N 3.35Å; T558-K561 PolarHBondContact O-N 2.98Å; T558-N562 WeakPolarHBondContact O-CB 3.31Å; T558-N562 PolarHBondContact O-N 2.75Å
559	M	52.1	Low	53.4	Low	156 Å²	156	105 Å²	105	77%	0.768	52%	0.524	S	S	*	.	H	α-helix	trans	-65.1	-37.9	173.1	-95.5	-167.6	170.5	0	0	112.3	N557 K563	N557-M559 VanDerWaalsContact C-N 3.28Å; N557-M559 PolarHBondContact O-N 3.39Å; N557-M559 WeakPolarHBondContact OD1-CB 3.39Å; N557-M559 PolarHBondContact OD1-N 3.06Å; M559-K563 WeakPolarHBondContact O-CB 3.26Å; M559-K563 PolarHBondContact O-N 3.44Å; M559-K563 VanDerWaalsContact O-N 3.08Å
560	A	52.2	Low	54.7	Low	25 Å²	25	106.9 Å²	106.9	21%	0.207	53%	0.526	C	S	.	.	H	α-helix	trans	-64.5	-51.4	174.6	0	0	0	0	0	110	N557 T558 N562 K563 F564	N557-A560 HydrophobicContact CB-CB 4Å; N557-A560 WeakPolarHBondContact O-CB 3.19Å; N557-A560 PolarHBondContact O-N 3.19Å; N557-A560 PolarHBondContact OD1-N 3.48Å; T558-A560 VanDerWaalsContact C-N 3.35Å; A560-N562 PolarHBondContact O-N 2.92Å; A560-K563 PolarHBondContact O-N 3.36Å; A560-K563 VanDerWaalsContact O-N 3.12Å; A560-F564 VanDerWaalsContact O-CD2 3.31Å; A560-F564 WeakPolarHBondContact O-CD2 3.24Å; A560-F564 PolarHBondContact O-N 3.34Å
561	K	50.3	Low	56.7	Low	78 Å²	78	101 Å²	101	34%	0.339	50%	0.5	S	S	.	.	H	α-helix	trans	-52.7	-50.7	177	-79.5	174.8	164	159.2	0	112.3	S553 S555 N557 T558 K563 F564 I565	S553-K561 WeakPolarHBondContact O-CE 3.36Å; S553-K561 PolarHBondContact O-NZ 2.8Å; S555-K561 WeakPolarHBondContact O-CD 3.27Å; S555-K561 WeakPolarHBondContact O-CE 3.45Å; S555-K561 PolarHBondContact O-NZ 2.69Å; N557-K561 PolarHBondContact O-N 3.13Å; N557-K561 VanDerWaalsContact O-N 3.07Å; T558-K561 PolarHBondContact O-N 2.98Å; K561-K563 VanDerWaalsContact C-N 3.33Å; K561-K563 PolarHBondContact O-N 2.82Å; K561-F564 PolarHBondContact O-N 2.7Å; K561-F564 VanDerWaalsContact O-N 3.16Å; K561-I565 VanDerWaalsContact O-CG1 3.3Å; K561-I565 WeakPolarHBondContact O-CG1 3.33Å; K561-I565 PolarHBondContact O-N 2.92Å
562	N	48.7	Very low	58.9	Low	99 Å²	99	95 Å²	95	53%	0.529	48%	0.476	S	S	.	.	H	α-helix	trans	-64.7	-32.2	179.5	-72.6	-4.9	0	0	0	113.7	T558 A560 R566	T558-N562 WeakPolarHBondContact O-CB 3.31Å; T558-N562 PolarHBondContact O-N 2.75Å; A560-N562 PolarHBondContact O-N 2.92Å; N562-R566 WeakPolarHBondContact O-CG 3.3Å
563	K	47.1	Very low	61	Low	153 Å²	153	88 Å²	88	67%	0.665	45%	0.449	S	S	*	.	H	α-helix	trans	-73.5	-35.4	174.1	-169	174.7	-177.7	178.3	0	112.1	M559 A560 K561	M559-K563 WeakPolarHBondContact O-CB 3.26Å; M559-K563 PolarHBondContact O-N 3.44Å; M559-K563 VanDerWaalsContact O-N 3.08Å; A560-K563 PolarHBondContact O-N 3.36Å; A560-K563 VanDerWaalsContact O-N 3.12Å; K561-K563 VanDerWaalsContact C-N 3.33Å; K561-K563 PolarHBondContact O-N 2.82Å
564	F	47.5	Very low	63.3	Low	108 Å²	108	87 Å²	87	47%	0.474	44%	0.441	S	S	.	.	H	α-helix	trans	-75.2	-36.9	179	-89.9	-78.2	0	0	0	113.6	Y552 A560 K561 R566 N567	Y552-F564 HydrophobicContact CD1-CE2 4.5Å; Y552-F564 HydrophobicContact CD1-CZ 4.4Å; Y552-F564 HydrophobicContact CE1-CZ 4.5Å; A560-F564 VanDerWaalsContact O-CD2 3.31Å; A560-F564 WeakPolarHBondContact O-CD2 3.24Å; A560-F564 PolarHBondContact O-N 3.34Å; K561-F564 PolarHBondContact O-N 2.7Å; K561-F564 VanDerWaalsContact O-N 3.16Å; F564-R566 PolarHBondContact O-N 3.35Å; F564-N567 PolarHBondContact O-N 3.35Å
565	I	49.6	Very low	65.5	Low	74 Å²	74	80 Å²	80	38%	0.379	41%	0.409	S	S	.	.	H	α-helix	trans	-56	-39.3	174.4	-70.9	162.4	0	0	0	110.7	R548 K561	R548-I565 PolarHBondContact NH2-O 3.1Å; K561-I565 VanDerWaalsContact O-CG1 3.3Å; K561-I565 WeakPolarHBondContact O-CG1 3.33Å; K561-I565 PolarHBondContact O-N 2.92Å
566	R	50.3	Low	67.6	Low	210 Å²	210	79.4 Å²	79.4	79%	0.792	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.4	-178.4	-68.3	179.2	178.4	-172.3	-0.9	115.7	N562 F564	N562-R566 WeakPolarHBondContact O-CG 3.3Å; F564-R566 PolarHBondContact O-N 3.35Å
567	N	54.5	Low	69.4	Low	93 Å²	93	75.7 Å²	75.7	50%	0.497	38%	0.384	S	S	.	.	S	Bend	trans	-78.3	123.9	-179.3	-90.1	0.9	0	0	0	110.1	F564 L569	F564-N567 PolarHBondContact O-N 3.35Å; N567-L569 PolarHBondContact O-N 3.17Å
568	P	64.9	Low	70.9	Confident	93 Å²	93	71.8 Å²	71.8	60%	0.604	36%	0.363	S	S	*	.			trans	-64.6	133	179.3	26.4	-33.9	0	0	0	110.3	K570	P568-K570 PolarHBondContact O-N 2.95Å; P568-K570 VanDerWaalsContact O-N 3.11Å
569	L	84.9	Confident	72.7	Confident	22 Å²	22	67 Å²	67	12%	0.115	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	108	176.8	-81.2	164.5	0	0	0	108.9	L521 F544 I547 R548 N567	L521-L569 HydrophobicContact CB-CB 3.99Å; L521-L569 WeakPolarHBondContact CD1-O 3.23Å; L521-L569 HydrophobicContact CD2-CB 4.44Å; L521-L569 PolarHBondContact N-O 2.97Å; F544-L569 HydrophobicContact CB-CD1 3.48Å; F544-L569 VanDerWaalsContact CB-CD1 3.48Å; F544-L569 HydrophobicContact CG-CD1 4.37Å; I547-L569 HydrophobicContact CB-CD1 4.37Å; R548-L569 HydrophobicContact CG-CD1 4.21Å; R548-L569 HydrophobicContact CG-CD2 4.1Å; N567-L569 PolarHBondContact O-N 3.17Å
570	K	89.5	Confident	74.6	Confident	81 Å²	81	61.3 Å²	61.3	35%	0.352	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.7	179.5	-173.3	-176.6	179.5	-178	0	110.8	S518 L519 H520 P568 Y596	S518-K570 WeakPolarHBondContact OG-CE 3.47Å; L519-K570 VanDerWaalsContact O-CA 3.31Å; L519-K570 WeakPolarHBondContact O-CA 3.46Å; H520-K570 WeakPolarHBondContact NE2-CE 3.32Å; P568-K570 PolarHBondContact O-N 2.95Å; P568-K570 VanDerWaalsContact O-N 3.11Å; K570-Y596 PolarHBondContact NZ-OH 3.28Å; K570-Y596 VanDerWaalsContact NZ-OH 3.11Å
571	F	92.9	Very high	76.5	Confident	7 Å²	7	66.7 Å²	66.7	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.5	164.5	-63.8	-82.5	0	0	0	109.2	A271 I331 L333 S518 L519 L521 I547	A271-F571 HydrophobicContact CB-CD1 3.87Å; A271-F571 HydrophobicContact CB-CE1 4.35Å; I331-F571 HydrophobicContact CD1-CB 3.99Å; I331-F571 HydrophobicContact CG1-CB 3.98Å; L333-F571 HydrophobicContact CD1-CD2 4.24Å; L333-F571 HydrophobicContact CD1-CE2 4.31Å; L333-F571 HydrophobicContact CD2-CB 4.39Å; L333-F571 HydrophobicContact CD2-CD1 4.25Å; L333-F571 HydrophobicContact CD2-CD2 3.9Å; L333-F571 HydrophobicContact CD2-CE2 4.19Å; L333-F571 HydrophobicContact CD2-CG 3.92Å; L333-F571 HydrophobicContact CD2-CZ 4.48Å; S518-F571 CarbonylContact C-O 3.56Å; S518-F571 WeakPolarHBondContact CA-O 3.3Å; S518-F571 WeakPolarHBondContact CB-O 3.43Å; L519-F571 PolarHBondContact N-O 2.98Å; L519-F571 PolarHBondContact O-N 3.46Å; L521-F571 HydrophobicContact CD1-CD2 3.92Å; L521-F571 HydrophobicContact CD1-CE2 4.14Å; L521-F571 HydrophobicContact CD2-CE2 4.47Å; I547-F571 HydrophobicContact CG2-CE2 3.83Å; I547-F571 HydrophobicContact CG2-CZ 3.53Å
572	S	93.5	Very high	78.6	Confident	39 Å²	39	63 Å²	63	27%	0.273	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.7	177.6	58.5	0	0	0	0	112.8	L517	L517-S572 CarbonylContact O-C 3.55Å; L517-S572 WeakPolarHBondContact O-CA 3.42Å; L517-S572 WeakPolarHBondContact O-CB 3.48Å
573	A	94.1	Very high	80.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.008	28%	0.282	C	S	.	.			trans	-104.6	145	176.3	0	0	0	0	0	111.8	I263 N273 I331 H515 L517 L597	I263-A573 HydrophobicContact CD1-CB 3.91Å; N273-A573 HydrophobicContact CB-CB 4.32Å; I331-A573 HydrophobicContact CB-CB 4.02Å; H515-A573 PolarHBondContact NE2-O 3.26Å; L517-A573 PolarHBondContact O-N 3.42Å; A573-L597 WeakPolarHBondContact O-CD2 3.4Å
574	P	93.6	Very high	83	Confident	44 Å²	44	60 Å²	60	29%	0.286	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-75.3	149	170.5	30.5	-33.9	0	0	0	111.6	N273 H515	N273-P574 WeakPolarHBondContact ND2-CD 3.37Å; N273-P574 PolarHBondContact ND2-O 3.27Å; H515-P574 PolarHBondContact CE1-O 3.47Å; H515-P574 VanDerWaalsContact CE1-O 3.24Å; H515-P574 PolarHBondContact NE2-O 2.93Å
575	L	92.9	Very high	85.3	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.037	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-70.1	136.7	-174.5	-73.3	167.7	0	0	0	112.2	L358 H515 F579 Q580 L590 L597	L358-L575 HydrophobicContact CB-CD2 4.49Å; L358-L575 HydrophobicContact CD2-CD1 3.85Å; L358-L575 HydrophobicContact CD2-CD2 3.73Å; L358-L575 HydrophobicContact CD2-CG 4.39Å; H515-L575 HydrophobicContact CB-CD2 4.1Å; L575-F579 HydrophobicContact CD2-CD1 4.11Å; L575-F579 HydrophobicContact CD2-CE1 4.21Å; L575-F579 HydrophobicContact CD2-CG 4.33Å; L575-F579 HydrophobicContact CD2-CZ 4.5Å; L575-Q580 HydrophobicContact CB-CG 3.78Å; L575-Q580 PolarHBondContact O-NE2 3.26Å; L575-L590 HydrophobicContact CD1-CD1 3.66Å; L575-L590 HydrophobicContact CD1-CD2 3.88Å; L575-L590 HydrophobicContact CD1-CG 4.39Å; L575-L597 HydrophobicContact CD1-CB 4.02Å; L575-L597 HydrophobicContact CD1-CD1 3.95Å; L575-L597 HydrophobicContact CG-CB 4.09Å; L575-L597 HydrophobicContact CG-CD1 4.15Å; L575-L597 PolarHBondContact N-O 2.86Å
576	P	92.2	Very high	87.6	Confident	27 Å²	27	55.2 Å²	55.2	18%	0.175	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-69.2	149.5	-179.9	30.2	-36.6	0	0	0	111.8	H515 H578 F579 Q580	H515-P576 WeakPolarHBondContact ND1-CD 3.02Å; P576-H578 VanDerWaalsContact C-N 3.28Å; P576-H578 PolarHBondContact O-N 3.03Å; P576-H578 VanDerWaalsContact O-N 3.13Å; P576-F579 HydrophobicContact CG-CB 3.87Å; P576-F579 WeakPolarHBondContact O-CB 3.39Å; P576-F579 PolarHBondContact O-N 2.95Å; P576-Q580 PolarHBondContact O-N 2.83Å; P576-Q580 VanDerWaalsContact O-N 3.14Å
577	N	90.4	Very high	89.7	Confident	78 Å²	78	46.9 Å²	46.9	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-54	-36.1	-174.5	-77.4	-41.2	0	0	0	114.7	R581	N577-R581 WeakPolarHBondContact O-CB 3.34Å; N577-R581 WeakPolarHBondContact O-CD 3.43Å; N577-R581 WeakPolarHBondContact O-CG 3.33Å; N577-R581 PolarHBondContact O-N 3.47Å
578	H	90.6	Very high	91.7	Very high	11 Å²	11	42.8 Å²	42.8	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-41.6	177.7	67.1	-101.1	0	0	0	111.8	E241 H513 P576 R581 N582	E241-H578 HydrophobicContact CB-CB 3.74Å; E241-H578 HydrophobicContact CG-CB 3.82Å; E241-H578 PolarHBondContact O-ND1 3.43Å; H513-H578 AromaticContact NE2-CD2 3.94Å; P576-H578 VanDerWaalsContact C-N 3.28Å; P576-H578 PolarHBondContact O-N 3.03Å; P576-H578 VanDerWaalsContact O-N 3.13Å; H578-R581 PolarHBondContact O-N 3.08Å; H578-N582 WeakPolarHBondContact O-CB 3.21Å; H578-N582 PolarHBondContact O-N 3.4Å
579	F	94.2	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-48	178.9	-165.4	-62.7	0	0	0	109.9	L358 I360 L450 H513 H515 L575 P576 R581 N582 L583	L358-F579 HydrophobicContact CB-CZ 4.31Å; L358-F579 HydrophobicContact CD2-CE1 3.82Å; L358-F579 HydrophobicContact CD2-CZ 3.89Å; L358-F579 HydrophobicContact CG-CE1 4.33Å; L358-F579 HydrophobicContact CG-CZ 3.92Å; I360-F579 HydrophobicContact CD1-CD1 4.31Å; I360-F579 HydrophobicContact CD1-CE1 4.04Å; I360-F579 HydrophobicContact CD1-CZ 4.37Å; I360-F579 HydrophobicContact CG1-CE1 3.88Å; I360-F579 HydrophobicContact CG1-CE2 4.36Å; I360-F579 HydrophobicContact CG1-CZ 3.76Å; L450-F579 HydrophobicContact CD1-CE1 4.07Å; L450-F579 HydrophobicContact CD1-CZ 4.16Å; H513-F579 HydrophobicContact CB-CD2 4.17Å; H513-F579 HydrophobicContact CB-CE2 4.13Å; H515-F579 HydrophobicContact CB-CD2 4.42Å; H515-F579 HydrophobicContact CB-CE2 4.3Å; L575-F579 HydrophobicContact CD2-CD1 4.11Å; L575-F579 HydrophobicContact CD2-CE1 4.21Å; L575-F579 HydrophobicContact CD2-CG 4.33Å; L575-F579 HydrophobicContact CD2-CZ 4.5Å; P576-F579 HydrophobicContact CG-CB 3.87Å; P576-F579 WeakPolarHBondContact O-CB 3.39Å; P576-F579 PolarHBondContact O-N 2.95Å; F579-R581 PolarHBondContact O-N 2.88Å; F579-N582 PolarHBondContact O-N 3.3Å; F579-L583 HydrophobicContact CD1-CD1 4.49Å; F579-L583 HydrophobicContact CE1-CD1 4.17Å; F579-L583 WeakPolarHBondContact O-CB 3.38Å; F579-L583 PolarHBondContact O-N 3.11Å
580	Q	92.6	Very high	93.2	Very high	37 Å²	37	45.4 Å²	45.4	17%	0.173	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-42.2	177.3	-61.1	-162.5	37.1	0	0	112.4	L575 P576 K584 H598	L575-Q580 HydrophobicContact CB-CG 3.78Å; L575-Q580 PolarHBondContact O-NE2 3.26Å; P576-Q580 PolarHBondContact O-N 2.83Å; P576-Q580 VanDerWaalsContact O-N 3.14Å; Q580-K584 PolarHBondContact O-N 2.83Å; Q580-K584 VanDerWaalsContact O-N 3.09Å; Q580-H598 PolarHBondContact OE1-ND1 2.86Å
581	R	92.7	Very high	92.7	Very high	139 Å²	139	43 Å²	43	53%	0.525	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-46.6	177.4	-72.6	167.8	-166.1	168.2	3.2	111.8	N577 H578 F579 K584 R585	N577-R581 WeakPolarHBondContact O-CB 3.34Å; N577-R581 WeakPolarHBondContact O-CD 3.43Å; N577-R581 WeakPolarHBondContact O-CG 3.33Å; N577-R581 PolarHBondContact O-N 3.47Å; H578-R581 PolarHBondContact O-N 3.08Å; F579-R581 PolarHBondContact O-N 2.88Å; R581-K584 PolarHBondContact O-N 2.91Å; R581-R585 WeakPolarHBondContact O-CG 3.39Å; R581-R585 PolarHBondContact O-N 2.83Å
582	N	94.7	Very high	91.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.7	-36.8	-178.9	-71.6	-23	0	0	0	111.9	R237 E241 L500 H513 H578 F579 K584 R585 I586	R237-N582 PolarHBondContact NH1-OD1 3.4Å; E241-N582 PolarHBondContact OE1-ND2 2.82Å; E241-N582 PolarHBondContact OE2-ND2 3.37Å; L500-N582 HydrophobicContact CD2-CB 4.11Å; H513-N582 PolarHBondContact CE1-ND2 3.32Å; H513-N582 WeakPolarHBondContact NE2-CB 3.3Å; H513-N582 PolarHBondContact NE2-ND2 2.94Å; H578-N582 WeakPolarHBondContact O-CB 3.21Å; H578-N582 PolarHBondContact O-N 3.4Å; F579-N582 PolarHBondContact O-N 3.3Å; N582-K584 VanDerWaalsContact C-N 3.32Å; N582-K584 PolarHBondContact O-N 3.34Å; N582-R585 PolarHBondContact O-N 2.8Å; N582-R585 VanDerWaalsContact O-N 3.17Å; N582-I586 WeakPolarHBondContact O-CB 3.49Å; N582-I586 WeakPolarHBondContact O-CD1 3.38Å; N582-I586 WeakPolarHBondContact O-CG1 3.4Å; N582-I586 PolarHBondContact O-N 3.3Å
583	L	94.5	Very high	90.8	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-52.5	-49.6	168.8	179.9	144.8	0	0	0	111.1	I360 L450 F579 I586 G587 L588 L590	I360-L583 HydrophobicContact CD1-CB 4.22Å; L450-L583 HydrophobicContact CD1-CD1 4.17Å; L450-L583 HydrophobicContact CD2-CD1 3.87Å; F579-L583 HydrophobicContact CD1-CD1 4.49Å; F579-L583 HydrophobicContact CE1-CD1 4.17Å; F579-L583 WeakPolarHBondContact O-CB 3.38Å; F579-L583 PolarHBondContact O-N 3.11Å; L583-I586 PolarHBondContact O-N 3.31Å; L583-G587 PolarHBondContact O-N 3Å; L583-L588 WeakPolarHBondContact CD2-O 3.25Å; L583-L588 HydrophobicContact CG-CB 4.09Å; L583-L588 PolarHBondContact O-N 2.78Å; L583-L588 VanDerWaalsContact O-N 3.1Å; L583-L590 HydrophobicContact CD1-CD1 3.84Å; L583-L590 HydrophobicContact CD1-CG 3.86Å; L583-L590 HydrophobicContact CD2-CD1 4.23Å
584	K	94.2	Very high	90	Very high	177 Å²	177	56.4 Å²	56.4	77%	0.77	26%	0.259	S	S	*	.	H	α-helix	trans	-63.6	-41.2	175.5	-175.6	177.8	179.1	179.5	0	113.3	Q580 R581 N582 G587	Q580-K584 PolarHBondContact O-N 2.83Å; Q580-K584 VanDerWaalsContact O-N 3.09Å; R581-K584 PolarHBondContact O-N 2.91Å; N582-K584 VanDerWaalsContact C-N 3.32Å; N582-K584 PolarHBondContact O-N 3.34Å; K584-G587 PolarHBondContact O-N 2.87Å
585	R	95	Very high	88.8	Confident	83 Å²	83	59.8 Å²	59.8	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-42.5	178.3	-75.6	178.4	-174.8	-75.8	0.2	112.5	E229 L500 R581 N582 G587	E229-R585 IonicContact OE1-CZ 3.77Å; E229-R585 IonicContact OE1-NH2 3.52Å; E229-R585 PolarHBondContact OE1-NH2 2.79Å; E229-R585 IonicContact OE2-CZ 2.7Å; E229-R585 IonicContact OE2-NH1 3.15Å; E229-R585 IonicContact OE2-NH2 2.76Å; E229-R585 PolarHBondContact OE2-NH2 3.19Å; L500-R585 HydrophobicContact CD2-CB 4.13Å; R581-R585 WeakPolarHBondContact O-CG 3.39Å; R581-R585 PolarHBondContact O-N 2.83Å; N582-R585 PolarHBondContact O-N 2.8Å; N582-R585 VanDerWaalsContact O-N 3.17Å; R585-G587 VanDerWaalsContact C-N 3.25Å; R585-G587 PolarHBondContact O-N 3.31Å
586	I	97	Very high	87.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.6	-26.5	178.1	-61.5	167.4	0	0	0	110.7	I360 Q445 N446 A448 L476 L496 L500 N582 L583 L588	I360-I586 HydrophobicContact CD1-CD1 4.26Å; I360-I586 HydrophobicContact CG2-CD1 3.98Å; Q445-I586 WeakPolarHBondContact CG-O 3.39Å; N446-I586 HydrophobicContact CB-CG2 4.39Å; N446-I586 PolarHBondContact ND2-O 3.49Å; A448-I586 HydrophobicContact CB-CD1 4.47Å; A448-I586 HydrophobicContact CB-CG2 3.88Å; L476-I586 HydrophobicContact CD2-CD1 3.86Å; L496-I586 HydrophobicContact CD1-CD1 3.9Å; L496-I586 HydrophobicContact CD1-CG1 3.7Å; L496-I586 HydrophobicContact CD1-CG2 4.11Å; L500-I586 HydrophobicContact CD2-CD1 4.09Å; L500-I586 HydrophobicContact CD2-CG1 3.71Å; L500-I586 HydrophobicContact CG-CG1 4.22Å; N582-I586 WeakPolarHBondContact O-CB 3.49Å; N582-I586 WeakPolarHBondContact O-CD1 3.38Å; N582-I586 WeakPolarHBondContact O-CG1 3.4Å; N582-I586 PolarHBondContact O-N 3.3Å; L583-I586 PolarHBondContact O-N 3.31Å; I586-L588 HydrophobicContact CB-CD1 4.26Å; I586-L588 HydrophobicContact CB-CG 4.34Å; I586-L588 HydrophobicContact CD1-CD1 4.44Å; I586-L588 HydrophobicContact CG2-CD1 3.75Å; I586-L588 HydrophobicContact CG2-CG 3.77Å
587	G	95.5	Very high	86.4	Confident	35 Å²	35	63.3 Å²	63.3	36%	0.361	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	12.6	-178.1	0	0	0	0	0	113.9	L583 K584 R585	L583-G587 PolarHBondContact O-N 3Å; K584-G587 PolarHBondContact O-N 2.87Å; R585-G587 VanDerWaalsContact C-N 3.25Å; R585-G587 PolarHBondContact O-N 3.31Å
588	L	96	Very high	84.9	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.031	28%	0.278	C	S	.	.			trans	-72.1	149.3	173.7	-68.1	165.5	0	0	0	110.3	I360 D443 Q445 A448 L450 L583 I586	I360-L588 HydrophobicContact CD1-CD1 4.37Å; I360-L588 HydrophobicContact CG1-CD1 4.46Å; I360-L588 HydrophobicContact CG2-CD1 3.96Å; D443-L588 HydrophobicContact CB-CD2 4.04Å; D443-L588 WeakPolarHBondContact O-CD2 3.39Å; D443-L588 WeakPolarHBondContact OD2-CA 3.49Å; Q445-L588 HydrophobicContact CB-CD2 3.99Å; Q445-L588 HydrophobicContact CB-CG 4.42Å; A448-L588 HydrophobicContact CB-CD1 4.46Å; L450-L588 HydrophobicContact CB-CD1 4.24Å; L450-L588 HydrophobicContact CB-CD2 4.24Å; L583-L588 WeakPolarHBondContact CD2-O 3.25Å; L583-L588 HydrophobicContact CG-CB 4.09Å; L583-L588 PolarHBondContact O-N 2.78Å; L583-L588 VanDerWaalsContact O-N 3.1Å; I586-L588 HydrophobicContact CB-CD1 4.26Å; I586-L588 HydrophobicContact CB-CG 4.34Å; I586-L588 HydrophobicContact CD1-CD1 4.44Å; I586-L588 HydrophobicContact CG2-CD1 3.75Å; I586-L588 HydrophobicContact CG2-CG 3.77Å
589	K	92.9	Very high	82.9	Confident	156 Å²	156	67.2 Å²	67.2	68%	0.678	32%	0.319	S	S	*	.			trans	-117.8	135.4	-176.5	-64.4	171.9	-174.6	166.2	0	111.3	D443 L450	D443-K589 WeakPolarHBondContact OD2-CB 3.46Å; D443-K589 PolarHBondContact OD2-N 2.83Å; L450-K589 WeakPolarHBondContact CD2-O 3.26Å
590	L	87.7	Confident	82.3	Confident	14 Å²	14	70.6 Å²	70.6	7%	0.073	34%	0.335	C	S	.	.			trans	-76.2	134.7	165.8	-83.8	145.8	0	0	0	110.1	L358 L575 L583 L594 L597 H598	L358-L590 HydrophobicContact CD2-CD2 3.9Å; L575-L590 HydrophobicContact CD1-CD1 3.66Å; L575-L590 HydrophobicContact CD1-CD2 3.88Å; L575-L590 HydrophobicContact CD1-CG 4.39Å; L583-L590 HydrophobicContact CD1-CD1 3.84Å; L583-L590 HydrophobicContact CD1-CG 3.86Å; L583-L590 HydrophobicContact CD2-CD1 4.23Å; L590-L594 HydrophobicContact CD2-CB 3.89Å; L590-L594 HydrophobicContact CD2-CD1 4.26Å; L590-L597 HydrophobicContact CD2-CD1 4.16Å; L590-H598 WeakPolarHBondContact CD1-NE2 3.22Å
591	P	79.4	Confident	81.8	Confident	30 Å²	30	72.4 Å²	72.4	20%	0.195	34%	0.344	C	S	.	.			trans	-71.9	157.3	-180	32.3	-34.5	0	0	0	109.3	I442 Y593 L594 K595	I442-P591 HydrophobicContact CD1-CG 4.38Å; I442-P591 HydrophobicContact CG2-CB 4.4Å; I442-P591 HydrophobicContact CG2-CG 3.87Å; P591-Y593 VanDerWaalsContact C-N 3.26Å; P591-Y593 HydrophobicContact CB-CD1 3.85Å; P591-Y593 HydrophobicContact CB-CE1 3.49Å; P591-Y593 VanDerWaalsContact CB-CE1 3.49Å; P591-Y593 HydrophobicContact CG-CD1 4.03Å; P591-Y593 HydrophobicContact CG-CE1 3.48Å; P591-Y593 VanDerWaalsContact CG-CE1 3.48Å; P591-Y593 HydrophobicContact CG-CE2 4.26Å; P591-Y593 PolarHBondContact O-N 3.4Å; P591-Y593 VanDerWaalsContact O-N 3.16Å; P591-L594 HydrophobicContact CG-CB 4.04Å; P591-L594 HydrophobicContact CG-CD1 3.89Å; P591-L594 HydrophobicContact CG-CG 3.88Å; P591-L594 PolarHBondContact O-N 3.34Å; P591-K595 PolarHBondContact O-N 2.7Å
592	Y	73.7	Confident	81.1	Confident	194 Å²	194	68.7 Å²	68.7	76%	0.761	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-54.3	-42.6	-171.4	-173.8	-94.1	0	0	0	113.1	L594 K595	Y592-L594 PolarHBondContact O-N 2.86Å; Y592-L594 VanDerWaalsContact O-N 3.16Å; Y592-K595 HydrophobicContact CD2-CD 3.88Å; Y592-K595 HydrophobicContact CE2-CD 4.38Å; Y592-K595 WeakPolarHBondContact O-CB 3.25Å; Y592-K595 PolarHBondContact O-N 3.45Å
593	Y	74	Confident	80.3	Confident	130 Å²	130	72.7 Å²	72.7	51%	0.51	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-66.6	-12.6	179.6	69.8	-92.6	0	0	0	114.4	P591 Y596	P591-Y593 VanDerWaalsContact C-N 3.26Å; P591-Y593 HydrophobicContact CB-CD1 3.85Å; P591-Y593 HydrophobicContact CB-CE1 3.49Å; P591-Y593 VanDerWaalsContact CB-CE1 3.49Å; P591-Y593 HydrophobicContact CG-CD1 4.03Å; P591-Y593 HydrophobicContact CG-CE1 3.48Å; P591-Y593 VanDerWaalsContact CG-CE1 3.48Å; P591-Y593 HydrophobicContact CG-CE2 4.26Å; P591-Y593 PolarHBondContact O-N 3.4Å; P591-Y593 VanDerWaalsContact O-N 3.16Å; Y593-Y596 WeakPolarHBondContact O-CD1 3.43Å; Y593-Y596 WeakPolarHBondContact O-CE1 3.44Å
594	L	75.5	Confident	79.5	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.031	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-107.7	3.6	173.5	-63.8	-172.8	0	0	0	113.4	L358 I442 L517 L590 P591 Y592 Y596 L597	L358-L594 HydrophobicContact CD1-CD1 4.3Å; I442-L594 HydrophobicContact CD1-CD1 4.02Å; L517-L594 HydrophobicContact CD2-CD1 4.19Å; L517-L594 HydrophobicContact CD2-CD2 4.13Å; L590-L594 HydrophobicContact CD2-CB 3.89Å; L590-L594 HydrophobicContact CD2-CD1 4.26Å; P591-L594 HydrophobicContact CG-CB 4.04Å; P591-L594 HydrophobicContact CG-CD1 3.89Å; P591-L594 HydrophobicContact CG-CG 3.88Å; P591-L594 PolarHBondContact O-N 3.34Å; Y592-L594 PolarHBondContact O-N 2.86Å; Y592-L594 VanDerWaalsContact O-N 3.16Å; L594-Y596 HydrophobicContact CD2-CE1 4.2Å; L594-Y596 PolarHBondContact O-N 2.87Å; L594-Y596 VanDerWaalsContact O-N 3.16Å; L594-L597 HydrophobicContact CB-CD1 3.76Å; L594-L597 HydrophobicContact CB-CG 4.36Å; L594-L597 HydrophobicContact CD1-CD1 4.32Å; L594-L597 HydrophobicContact CD2-CD1 4.19Å; L594-L597 HydrophobicContact CG-CD1 4.29Å; L594-L597 VanDerWaalsContact O-CB 3.27Å; L594-L597 WeakPolarHBondContact O-CB 3.47Å; L594-L597 WeakPolarHBondContact O-CD1 3.42Å; L594-L597 WeakPolarHBondContact O-CG 3.29Å; L594-L597 PolarHBondContact O-N 3.42Å
595	K	69.4	Low	78.5	Confident	114 Å²	114	69.9 Å²	69.9	50%	0.496	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-63	-22.6	179.3	-74.9	-176.6	179.4	-173.9	0	113.6	P591 Y592 L597 H598	P591-K595 PolarHBondContact O-N 2.7Å; Y592-K595 HydrophobicContact CD2-CD 3.88Å; Y592-K595 HydrophobicContact CE2-CD 4.38Å; Y592-K595 WeakPolarHBondContact O-CB 3.25Å; Y592-K595 PolarHBondContact O-N 3.45Å; K595-L597 PolarHBondContact O-N 2.97Å; K595-L597 VanDerWaalsContact O-N 3.12Å; K595-H598 PolarHBondContact O-N 3.2Å
596	Y	73	Confident	77.3	Confident	107 Å²	107	68.9 Å²	68.9	42%	0.42	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-60	-18.5	173.5	74.8	-97.4	0	0	0	113.4	K570 Y593 L594 H598 G599	K570-Y596 PolarHBondContact NZ-OH 3.28Å; K570-Y596 VanDerWaalsContact NZ-OH 3.11Å; Y593-Y596 WeakPolarHBondContact O-CD1 3.43Å; Y593-Y596 WeakPolarHBondContact O-CE1 3.44Å; L594-Y596 HydrophobicContact CD2-CE1 4.2Å; L594-Y596 PolarHBondContact O-N 2.87Å; L594-Y596 VanDerWaalsContact O-N 3.16Å; Y596-H598 VanDerWaalsContact C-N 3.29Å; Y596-H598 PolarHBondContact O-N 3.24Å; Y596-G599 PolarHBondContact O-N 3.45Å
597	L	61.9	Low	75.8	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.01	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-75.2	-12.7	178	-57	173.2	0	0	0	114.6	L517 A573 L575 L590 L594 K595 G599	L517-L597 HydrophobicContact CD1-CD1 3.28Å; L517-L597 HydrophobicContact CD1-CD2 3.44Å; L517-L597 VanDerWaalsContact CD1-CD2 3.44Å; L517-L597 HydrophobicContact CD1-CG 3.97Å; A573-L597 WeakPolarHBondContact O-CD2 3.4Å; L575-L597 HydrophobicContact CD1-CB 4.02Å; L575-L597 HydrophobicContact CD1-CD1 3.95Å; L575-L597 HydrophobicContact CG-CB 4.09Å; L575-L597 HydrophobicContact CG-CD1 4.15Å; L575-L597 PolarHBondContact N-O 2.86Å; L590-L597 HydrophobicContact CD2-CD1 4.16Å; L594-L597 HydrophobicContact CB-CD1 3.76Å; L594-L597 HydrophobicContact CB-CG 4.36Å; L594-L597 HydrophobicContact CD1-CD1 4.32Å; L594-L597 HydrophobicContact CD2-CD1 4.19Å; L594-L597 HydrophobicContact CG-CD1 4.29Å; L594-L597 VanDerWaalsContact O-CB 3.27Å; L594-L597 WeakPolarHBondContact O-CB 3.47Å; L594-L597 WeakPolarHBondContact O-CD1 3.42Å; L594-L597 WeakPolarHBondContact O-CG 3.29Å; L594-L597 PolarHBondContact O-N 3.42Å; K595-L597 PolarHBondContact O-N 2.97Å; K595-L597 VanDerWaalsContact O-N 3.12Å; L597-G599 PolarHBondContact O-N 3.38Å
598	H	58.6	Low	74.2	Confident	82 Å²	82	77.5 Å²	77.5	38%	0.38	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-67.2	-26.8	174.1	-78.4	-64.5	0	0	0	111.9	Q580 L590 K595 Y596	Q580-H598 PolarHBondContact OE1-ND1 2.86Å; L590-H598 WeakPolarHBondContact CD1-NE2 3.22Å; K595-H598 PolarHBondContact O-N 3.2Å; Y596-H598 VanDerWaalsContact C-N 3.29Å; Y596-H598 PolarHBondContact O-N 3.24Å
599	G	47.8	Very low	72.2	Confident	89 Å²	89	84 Å²	84	92%	0.918	41%	0.406	S	S	*	.			trans	82	0	167.7	0	0	0	0	0	114.9	N220 Y596 L597	N220-G599 VanDerWaalsContact ND2-C 3.32Å; N220-G599 VanDerWaalsContact ND2-CA 3.3Å; N220-G599 WeakPolarHBondContact ND2-CA 3.46Å; N220-G599 PolarHBondContact ND2-O 3.29Å; Y596-G599 PolarHBondContact O-N 3.45Å; L597-G599 PolarHBondContact O-N 3.38Å

Retrieved 599 of 599 residues in 326.3 ms (Link to these results)

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