A0A087XJL9_POEFO Loading...

Hormone-sensitive lipase

AlphaFold DB , UniProt , Accession A0A087XJL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 688 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.8	Very low	54.8	Low	220 Å²	220	111.1 Å²	111.1	100%	1.084	58%	0.575	S	S	*	*				0	97.7	0	-169.4	172.1	173	0	0	105.4	L3	M1-L3 PolarHBondContact O-N 3.22Å; M1-L3 VanDerWaalsContact O-N 3.13Å
2	R	25.4	Very low	58.2	Low	214 Å²	214	102.8 Å²	102.8	81%	0.808	53%	0.533	S	S	*	.			trans	-65.5	110	176.4	-82.8	-175.9	-179.6	168.1	-2	106.9	D4	R2-D4 PolarHBondContact O-N 3.34Å; R2-D4 VanDerWaalsContact O-N 3.16Å
3	L	31.2	Very low	61.1	Low	118 Å²	118	95.8 Å²	95.8	62%	0.618	50%	0.496	S	S	*	.			trans	-84.9	65.1	173.5	-85.9	151.3	0	0	0	107.9	M1 S5	M1-L3 PolarHBondContact O-N 3.22Å; M1-L3 VanDerWaalsContact O-N 3.13Å; L3-S5 PolarHBondContact O-N 3.26Å
4	D	31.8	Very low	63.7	Low	138 Å²	138	95 Å²	95	74%	0.738	50%	0.498	S	S	*	.			trans	-88.2	65.3	170.2	-72.8	-29.6	0	0	0	109.4	R2	R2-D4 PolarHBondContact O-N 3.34Å; R2-D4 VanDerWaalsContact O-N 3.16Å
5	S	39.4	Very low	66	Low	81 Å²	81	90.1 Å²	90.1	57%	0.566	48%	0.477	S	S	*	.	S	Bend	trans	-149	129.6	156.7	68.7	0	0	0	0	105.6	L3 M7	L3-S5 PolarHBondContact O-N 3.26Å; S5-M7 VanDerWaalsContact C-N 3.25Å; S5-M7 PolarHBondContact O-N 2.89Å
6	E	50.8	Low	68	Low	143 Å²	143	84.6 Å²	84.6	67%	0.668	45%	0.447	S	S	*	.			trans	-46.2	98.1	165.9	-75.1	-178.9	152	0	0	108.2	D8 Y67 R82	E6-D8 PolarHBondContact O-N 3.45Å; E6-D8 VanDerWaalsContact O-N 3.1Å; E6-Y67 PolarHBondContact OE1-OH 3.2Å; E6-R82 IonicContact OE1-NH1 3.58Å
7	M	55.1	Low	69.7	Low	67 Å²	67	81.8 Å²	81.8	33%	0.33	43%	0.433	S	S	.	.			trans	-67.9	117	-172.9	-171.4	-179.5	52.3	0	0	104.9	S5 H9 V12 Q89 V93	S5-M7 VanDerWaalsContact C-N 3.25Å; S5-M7 PolarHBondContact O-N 2.89Å; M7-H9 PolarHBondContact O-N 2.6Å; M7-V12 HydrophobicContact CE-CG2 3.71Å; M7-V12 HydrophobicContact CG-CG2 4.41Å; M7-V12 HydrophobicContact SD-CG2 4.34Å; M7-Q89 PolarHBondContact O-NE2 3.35Å; M7-V93 HydrophobicContact CE-CG2 4.11Å
8	D	76.6	Confident	71.3	Confident	101 Å²	101	84.2 Å²	84.2	54%	0.54	44%	0.439	S	S	.	.			trans	-47.5	106.7	-174.2	177.1	5.5	0	0	0	110	E6 S10 A11 V12	E6-D8 PolarHBondContact O-N 3.45Å; E6-D8 VanDerWaalsContact O-N 3.1Å; D8-S10 PolarHBondContact O-N 2.82Å; D8-S10 VanDerWaalsContact OD1-CB 3.29Å; D8-S10 WeakPolarHBondContact OD1-CB 3.43Å; D8-S10 PolarHBondContact OD1-N 3.33Å; D8-A11 HydrophobicContact CB-CB 3.96Å; D8-A11 WeakPolarHBondContact O-CB 3.32Å; D8-A11 PolarHBondContact O-N 3.25Å; D8-V12 PolarHBondContact O-N 3.43Å
9	H	84.6	Confident	72.6	Confident	30 Å²	30	79.9 Å²	79.9	14%	0.139	42%	0.417	C	S	.	.	H	α-helix	trans	-58.5	-34.7	-175.4	-64.6	-90.8	0	0	0	110.1	M7 A11 V12 F13 V60 V85 Q89	M7-H9 PolarHBondContact O-N 2.6Å; H9-A11 VanDerWaalsContact C-N 3.33Å; H9-A11 PolarHBondContact O-N 3.36Å; H9-V12 WeakPolarHBondContact O-CB 3.29Å; H9-V12 PolarHBondContact O-N 2.97Å; H9-F13 WeakPolarHBondContact O-CD2 3.42Å; H9-F13 PolarHBondContact O-N 3.22Å; H9-F13 VanDerWaalsContact O-N 3.14Å; H9-V60 HydrophobicContact CB-CG1 4.24Å; H9-V85 WeakPolarHBondContact CE1-CG1 3.32Å; H9-Q89 PolarHBondContact CE1-NE2 3.41Å; H9-Q89 PolarHBondContact CE1-OE1 2.86Å; H9-Q89 VanDerWaalsContact ND1-CD 3.29Å; H9-Q89 PolarHBondContact ND1-NE2 3.24Å
10	S	88	Confident	73.9	Confident	58 Å²	58	76 Å²	76	41%	0.406	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-38.1	176.9	-172.5	0	0	0	0	111.8	D8 V12 F13 T14	D8-S10 PolarHBondContact O-N 2.82Å; D8-S10 VanDerWaalsContact OD1-CB 3.29Å; D8-S10 WeakPolarHBondContact OD1-CB 3.43Å; D8-S10 PolarHBondContact OD1-N 3.33Å; S10-V12 VanDerWaalsContact C-N 3.32Å; S10-V12 PolarHBondContact O-N 3Å; S10-F13 PolarHBondContact O-N 2.85Å; S10-T14 WeakPolarHBondContact O-CB 3.17Å; S10-T14 PolarHBondContact O-N 3.47Å; S10-T14 PolarHBondContact O-OG1 3.09Å
11	A	92.9	Very high	75	Confident	52 Å²	52	76.5 Å²	76.5	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-63.9	-36.5	175	0	0	0	0	0	112.2	D8 H9 A15	D8-A11 HydrophobicContact CB-CB 3.96Å; D8-A11 WeakPolarHBondContact O-CB 3.32Å; D8-A11 PolarHBondContact O-N 3.25Å; H9-A11 VanDerWaalsContact C-N 3.33Å; H9-A11 PolarHBondContact O-N 3.36Å; A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.36Å; A11-A15 PolarHBondContact O-N 3.17Å
12	V	95.3	Very high	78.3	Confident	11 Å²	11	69.7 Å²	69.7	7%	0.067	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-48.3	176	-179.3	0	0	0	0	111.1	M7 D8 H9 S10 A15 L16 L92 I96	M7-V12 HydrophobicContact CE-CG2 3.71Å; M7-V12 HydrophobicContact CG-CG2 4.41Å; M7-V12 HydrophobicContact SD-CG2 4.34Å; D8-V12 PolarHBondContact O-N 3.43Å; H9-V12 WeakPolarHBondContact O-CB 3.29Å; H9-V12 PolarHBondContact O-N 2.97Å; S10-V12 VanDerWaalsContact C-N 3.32Å; S10-V12 PolarHBondContact O-N 3Å; V12-A15 PolarHBondContact O-N 3.22Å; V12-L16 PolarHBondContact O-N 3.29Å; V12-L92 HydrophobicContact CG1-CB 3.89Å; V12-L92 HydrophobicContact CG1-CD1 4.1Å; V12-I96 HydrophobicContact CG1-CD1 3.97Å; V12-I96 WeakPolarHBondContact O-CD1 3.34Å
13	F	97	Very high	81.6	Confident	12 Å²	12	59.5 Å²	59.5	5%	0.053	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-39.6	178.2	-76.9	-74.1	0	0	0	112.3	H9 S10 A15 L16 D17 G53 L56 E57 V60 L88 L92	H9-F13 WeakPolarHBondContact O-CD2 3.42Å; H9-F13 PolarHBondContact O-N 3.22Å; H9-F13 VanDerWaalsContact O-N 3.14Å; S10-F13 PolarHBondContact O-N 2.85Å; F13-A15 VanDerWaalsContact C-N 3.35Å; F13-A15 PolarHBondContact O-N 3.32Å; F13-L16 WeakPolarHBondContact O-CB 3.47Å; F13-L16 PolarHBondContact O-N 3.18Å; F13-D17 PolarHBondContact O-N 2.84Å; F13-G53 WeakPolarHBondContact CD1-O 3.3Å; F13-G53 VanDerWaalsContact CE1-O 3.24Å; F13-G53 WeakPolarHBondContact CE1-O 2.88Å; F13-L56 HydrophobicContact CE1-CB 3.93Å; F13-L56 HydrophobicContact CZ-CB 4.08Å; F13-E57 HydrophobicContact CB-CB 4.37Å; F13-E57 HydrophobicContact CB-CG 4.12Å; F13-E57 HydrophobicContact CD1-CB 3.9Å; F13-E57 HydrophobicContact CD1-CG 4.5Å; F13-E57 HydrophobicContact CD2-CB 4Å; F13-E57 HydrophobicContact CD2-CG 3.89Å; F13-E57 HydrophobicContact CE1-CB 4.15Å; F13-E57 HydrophobicContact CE2-CB 4.27Å; F13-E57 HydrophobicContact CE2-CG 4.46Å; F13-E57 HydrophobicContact CG-CB 3.83Å; F13-E57 HydrophobicContact CG-CG 3.92Å; F13-E57 HydrophobicContact CZ-CB 4.33Å; F13-V60 HydrophobicContact CE2-CB 4.02Å; F13-V60 HydrophobicContact CE2-CG1 4.2Å; F13-V60 HydrophobicContact CE2-CG2 4.06Å; F13-V60 HydrophobicContact CZ-CB 4.29Å; F13-V60 HydrophobicContact CZ-CG2 3.87Å; F13-L88 HydrophobicContact CZ-CD2 4.4Å; F13-L92 HydrophobicContact CD1-CD1 4.14Å; F13-L92 HydrophobicContact CE1-CD1 3.64Å; F13-L92 HydrophobicContact CE2-CD1 4.43Å; F13-L92 HydrophobicContact CZ-CD1 3.8Å
14	T	96.8	Very high	84.7	Confident	85 Å²	85	55 Å²	55	52%	0.521	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-44.8	173.6	-60.5	0	0	0	0	111.4	S10 L16 D17 K18	S10-T14 WeakPolarHBondContact O-CB 3.17Å; S10-T14 PolarHBondContact O-N 3.47Å; S10-T14 PolarHBondContact O-OG1 3.09Å; T14-L16 VanDerWaalsContact C-N 3.33Å; T14-L16 PolarHBondContact O-N 3.21Å; T14-D17 PolarHBondContact O-N 2.98Å; T14-K18 WeakPolarHBondContact O-CB 3.27Å; T14-K18 PolarHBondContact O-N 3.49Å; T14-K18 VanDerWaalsContact O-N 3.12Å
15	A	97.6	Very high	87.5	Confident	22 Å²	22	52.9 Å²	52.9	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-37.3	177.1	0	0	0	0	0	112.3	A11 V12 F13 V19 I96	A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.36Å; A11-A15 PolarHBondContact O-N 3.17Å; V12-A15 PolarHBondContact O-N 3.22Å; F13-A15 VanDerWaalsContact C-N 3.35Å; F13-A15 PolarHBondContact O-N 3.32Å; A15-V19 WeakPolarHBondContact O-CB 3.22Å; A15-V19 VanDerWaalsContact O-CG2 3.28Å; A15-V19 WeakPolarHBondContact O-CG2 3.5Å; A15-V19 PolarHBondContact O-N 2.96Å; A15-I96 HydrophobicContact CB-CD1 4Å
16	L	98	Very high	89.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-51.3	174.8	-175.5	75.8	0	0	0	111.5	V12 F13 T14 K18 V19 C20 I49 L92 I95 I96	V12-L16 PolarHBondContact O-N 3.29Å; F13-L16 WeakPolarHBondContact O-CB 3.47Å; F13-L16 PolarHBondContact O-N 3.18Å; T14-L16 VanDerWaalsContact C-N 3.33Å; T14-L16 PolarHBondContact O-N 3.21Å; L16-K18 VanDerWaalsContact C-N 3.31Å; L16-K18 PolarHBondContact O-N 3.37Å; L16-V19 PolarHBondContact O-N 3.12Å; L16-C20 PolarHBondContact O-N 3.39Å; L16-C20 PolarHBondContact O-SG 3.43Å; L16-C20 VanDerWaalsContact O-SG 3.37Å; L16-I49 HydrophobicContact CD1-CG2 3.86Å; L16-I49 HydrophobicContact CG-CG2 4.39Å; L16-L92 HydrophobicContact CD1-CD2 4.23Å; L16-L92 HydrophobicContact CD2-CD2 3.72Å; L16-I95 HydrophobicContact CD1-CB 4.27Å; L16-I95 HydrophobicContact CD1-CG2 3.59Å; L16-I96 HydrophobicContact CB-CD1 4.14Å; L16-I96 HydrophobicContact CB-CG1 4.12Å; L16-I96 HydrophobicContact CD1-CG1 3.96Å
17	D	97.6	Very high	91.7	Very high	37 Å²	37	45.5 Å²	45.5	20%	0.198	26%	0.255	C	S	.	.	H	α-helix	trans	-58.3	-46.9	-178.8	-160.3	72.7	0	0	0	110.4	F13 T14 C20 E21 R50 R54	F13-D17 PolarHBondContact O-N 2.84Å; T14-D17 PolarHBondContact O-N 2.98Å; D17-C20 PolarHBondContact O-N 3.06Å; D17-E21 WeakPolarHBondContact O-CG 3.47Å; D17-E21 PolarHBondContact O-N 3.1Å; D17-R50 VanDerWaalsContact OD1-CG 3.24Å; D17-R50 WeakPolarHBondContact OD1-CG 3.34Å; D17-R50 IonicContact OD1-CZ 3.55Å; D17-R50 IonicContact OD1-NE 3.62Å; D17-R50 PolarHBondContact OD1-NE 3.07Å; D17-R50 IonicContact OD1-NH2 3.43Å; D17-R50 PolarHBondContact OD1-NH2 3.44Å; D17-R50 IonicContact OD2-CZ 3.54Å; D17-R50 IonicContact OD2-NE 3.9Å; D17-R50 IonicContact OD2-NH2 3.72Å; D17-R50 PolarHBondContact OD2-NH2 3.47Å; D17-R54 IonicContact OD1-CZ 3.5Å; D17-R54 IonicContact OD1-NE 2.89Å; D17-R54 PolarHBondContact OD1-NE 2.99Å; D17-R54 IonicContact OD1-NH2 3.35Å; D17-R54 PolarHBondContact OD1-NH2 3.43Å; D17-R54 IonicContact OD2-NH2 2.79Å; D17-R54 PolarHBondContact OD2-NH2 2.99Å
18	K	97.7	Very high	93.2	Very high	124 Å²	124	45.6 Å²	45.6	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-48.9	176.9	-178.9	173.9	176	174	0	112.6	T14 L16 C20 E21 E22	T14-K18 WeakPolarHBondContact O-CB 3.27Å; T14-K18 PolarHBondContact O-N 3.49Å; T14-K18 VanDerWaalsContact O-N 3.12Å; L16-K18 VanDerWaalsContact C-N 3.31Å; L16-K18 PolarHBondContact O-N 3.37Å; K18-C20 VanDerWaalsContact C-N 3.33Å; K18-C20 PolarHBondContact O-N 3.39Å; K18-E21 PolarHBondContact O-N 3.23Å; K18-E22 WeakPolarHBondContact CE-OE1 3.46Å; K18-E22 HydrophobicContact CG-CG 4.45Å; K18-E22 WeakPolarHBondContact CG-OE1 3.47Å; K18-E22 IonicContact NZ-OE1 2.82Å; K18-E22 WeakPolarHBondContact O-CG 3.24Å; K18-E22 PolarHBondContact O-N 3.46Å
19	V	97.7	Very high	93.1	Very high	4 Å²	4	42 Å²	42	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-38.6	-179.3	167.3	0	0	0	0	111.4	A15 L16 N23 I96 R100	A15-V19 WeakPolarHBondContact O-CB 3.22Å; A15-V19 VanDerWaalsContact O-CG2 3.28Å; A15-V19 WeakPolarHBondContact O-CG2 3.5Å; A15-V19 PolarHBondContact O-N 2.96Å; L16-V19 PolarHBondContact O-N 3.12Å; V19-N23 WeakPolarHBondContact O-CB 3.45Å; V19-N23 PolarHBondContact O-N 3.02Å; V19-N23 PolarHBondContact O-ND2 3.14Å; V19-I96 HydrophobicContact CG2-CG2 4.18Å; V19-R100 HydrophobicContact CG2-CG 3.67Å
20	C	98	Very high	91.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-44.4	174.7	-71.6	0	0	0	0	111.6	L16 D17 K18 N23 I24 R50	L16-C20 PolarHBondContact O-N 3.39Å; L16-C20 PolarHBondContact O-SG 3.43Å; L16-C20 VanDerWaalsContact O-SG 3.37Å; D17-C20 PolarHBondContact O-N 3.06Å; K18-C20 VanDerWaalsContact C-N 3.33Å; K18-C20 PolarHBondContact O-N 3.39Å; C20-N23 PolarHBondContact O-N 3.4Å; C20-I24 WeakPolarHBondContact O-CB 3.33Å; C20-I24 WeakPolarHBondContact O-CD1 3.36Å; C20-I24 WeakPolarHBondContact O-CG1 3.24Å; C20-I24 PolarHBondContact O-N 2.82Å; C20-R50 HydrophobicContact CB-CB 3.86Å; C20-R50 HydrophobicContact CB-CG 4.17Å
21	E	97	Very high	90.5	Very high	88 Å²	88	48.3 Å²	48.3	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-50	175.8	-75.6	-162.1	142.5	0	0	112.7	D17 K18 N23 I24 C25 R50	D17-E21 WeakPolarHBondContact O-CG 3.47Å; D17-E21 PolarHBondContact O-N 3.1Å; K18-E21 PolarHBondContact O-N 3.23Å; E21-N23 VanDerWaalsContact C-N 3.32Å; E21-N23 PolarHBondContact O-N 3.06Å; E21-I24 PolarHBondContact O-N 3.22Å; E21-I24 VanDerWaalsContact O-N 3.16Å; E21-C25 PolarHBondContact O-N 2.65Å; E21-C25 PolarHBondContact O-SG 2.87Å; E21-R50 VanDerWaalsContact CG-NH1 3.29Å; E21-R50 IonicContact OE1-CZ 3.13Å; E21-R50 IonicContact OE1-NH1 2.97Å; E21-R50 PolarHBondContact OE1-NH1 2.68Å; E21-R50 IonicContact OE1-NH2 2.6Å; E21-R50 PolarHBondContact OE1-NH2 3.01Å
22	E	95.5	Very high	88.7	Confident	76 Å²	76	55.2 Å²	55.2	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-56.2	-47	178.8	-74.3	173.2	178.1	0	0	111.3	K18 C25 V26	K18-E22 WeakPolarHBondContact CE-OE1 3.46Å; K18-E22 HydrophobicContact CG-CG 4.45Å; K18-E22 WeakPolarHBondContact CG-OE1 3.47Å; K18-E22 IonicContact NZ-OE1 2.82Å; K18-E22 WeakPolarHBondContact O-CG 3.24Å; K18-E22 PolarHBondContact O-N 3.46Å; E22-C25 PolarHBondContact O-N 3.1Å; E22-V26 WeakPolarHBondContact O-CB 3.35Å; E22-V26 VanDerWaalsContact O-CG2 3.25Å; E22-V26 WeakPolarHBondContact O-CG2 3.5Å; E22-V26 PolarHBondContact O-N 3.07Å
23	N	95.1	Very high	87.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-43.5	177.4	-83.8	-89.4	0	0	0	112.1	V19 C20 E21 C25 V26 L27 M46 G99 I102 A103	V19-N23 WeakPolarHBondContact O-CB 3.45Å; V19-N23 PolarHBondContact O-N 3.02Å; V19-N23 PolarHBondContact O-ND2 3.14Å; C20-N23 PolarHBondContact O-N 3.4Å; E21-N23 VanDerWaalsContact C-N 3.32Å; E21-N23 PolarHBondContact O-N 3.06Å; N23-C25 VanDerWaalsContact C-N 3.33Å; N23-C25 PolarHBondContact O-N 3.36Å; N23-V26 PolarHBondContact O-N 3.49Å; N23-L27 HydrophobicContact CB-CD1 4.46Å; N23-L27 WeakPolarHBondContact O-CB 3.16Å; N23-L27 WeakPolarHBondContact O-CD1 3.47Å; N23-L27 WeakPolarHBondContact O-CG 3.42Å; N23-L27 PolarHBondContact O-N 2.76Å; N23-M46 HydrophobicContact CB-CE 3.83Å; N23-M46 HydrophobicContact CB-CG 3.88Å; N23-M46 HydrophobicContact CB-SD 3.94Å; N23-G99 PolarHBondContact ND2-O 2.96Å; N23-G99 PolarHBondContact OD1-O 3.28Å; N23-I102 WeakPolarHBondContact OD1-CB 3.47Å; N23-I102 VanDerWaalsContact OD1-CG2 3.26Å; N23-I102 WeakPolarHBondContact OD1-CG2 3.45Å; N23-A103 PolarHBondContact OD1-N 3.37Å
24	I	95.2	Very high	85.4	Confident	24 Å²	24	61.8 Å²	61.8	12%	0.123	36%	0.362	C	S	.	.	H	α-helix	trans	-60.4	-45.2	177.9	-69.9	162	0	0	0	110.3	C20 E21 S28 V43 M46 R47	C20-I24 WeakPolarHBondContact O-CB 3.33Å; C20-I24 WeakPolarHBondContact O-CD1 3.36Å; C20-I24 WeakPolarHBondContact O-CG1 3.24Å; C20-I24 PolarHBondContact O-N 2.82Å; E21-I24 PolarHBondContact O-N 3.22Å; E21-I24 VanDerWaalsContact O-N 3.16Å; I24-S28 WeakPolarHBondContact O-CB 3.39Å; I24-S28 PolarHBondContact O-N 3.33Å; I24-S28 PolarHBondContact O-OG 3.37Å; I24-V43 HydrophobicContact CG1-CG1 4.49Å; I24-V43 HydrophobicContact CG2-CG1 4.37Å; I24-M46 HydrophobicContact CD1-CB 4.18Å; I24-M46 HydrophobicContact CG1-CB 3.81Å; I24-R47 HydrophobicContact CD1-CG 3.63Å; I24-R47 HydrophobicContact CG1-CG 4.29Å
25	C	92.4	Very high	84.1	Confident	93 Å²	93	61.7 Å²	61.7	63%	0.628	35%	0.352	S	S	*	.	H	α-helix	trans	-64	-48.9	178.7	-72.4	0	0	0	0	112.2	E21 E22 N23 L27 S28 G29	E21-C25 PolarHBondContact O-N 2.65Å; E21-C25 PolarHBondContact O-SG 2.87Å; E22-C25 PolarHBondContact O-N 3.1Å; N23-C25 VanDerWaalsContact C-N 3.33Å; N23-C25 PolarHBondContact O-N 3.36Å; C25-L27 VanDerWaalsContact C-N 3.35Å; C25-L27 PolarHBondContact O-N 3.26Å; C25-S28 PolarHBondContact O-N 2.97Å; C25-G29 PolarHBondContact O-N 3.15Å
26	V	89.6	Confident	83.1	Confident	49 Å²	49	62.4 Å²	62.4	30%	0.297	36%	0.362	S	S	.	.	H	α-helix	trans	-63.6	-41	-178	171	0	0	0	0	111.6	E22 N23 C106	E22-V26 WeakPolarHBondContact O-CB 3.35Å; E22-V26 VanDerWaalsContact O-CG2 3.25Å; E22-V26 WeakPolarHBondContact O-CG2 3.5Å; E22-V26 PolarHBondContact O-N 3.07Å; N23-V26 PolarHBondContact O-N 3.49Å; V26-C106 WeakPolarHBondContact CG1-SG 3.18Å
27	L	88.5	Confident	82.5	Confident	21 Å²	21	67.5 Å²	67.5	11%	0.11	39%	0.393	C	S	.	.	H	α-helix	trans	-80.4	-22.9	-177.3	-66.2	171.6	0	0	0	113.5	N23 C25 T39 L42 V43 C106	N23-L27 HydrophobicContact CB-CD1 4.46Å; N23-L27 WeakPolarHBondContact O-CB 3.16Å; N23-L27 WeakPolarHBondContact O-CD1 3.47Å; N23-L27 WeakPolarHBondContact O-CG 3.42Å; N23-L27 PolarHBondContact O-N 2.76Å; C25-L27 VanDerWaalsContact C-N 3.35Å; C25-L27 PolarHBondContact O-N 3.26Å; L27-T39 HydrophobicContact CB-CG2 3.84Å; L27-T39 HydrophobicContact CD2-CG2 4.13Å; L27-T39 WeakPolarHBondContact O-CG2 3.32Å; L27-L42 HydrophobicContact CD1-CB 3.77Å; L27-L42 HydrophobicContact CD1-CD1 4.41Å; L27-V43 HydrophobicContact CB-CG2 3.5Å; L27-V43 HydrophobicContact CD1-CG2 4.14Å; L27-V43 HydrophobicContact CG-CG2 4.49Å; L27-C106 HydrophobicContact CD2-CB 4.02Å
28	S	85.3	Confident	82.1	Confident	69 Å²	69	66.1 Å²	66.1	48%	0.483	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.4	178.3	-52.2	0	0	0	0	113.9	I24 C25	I24-S28 WeakPolarHBondContact O-CB 3.39Å; I24-S28 PolarHBondContact O-N 3.33Å; I24-S28 PolarHBondContact O-OG 3.37Å; C25-S28 PolarHBondContact O-N 2.97Å
29	G	75.9	Confident	81.6	Confident	25 Å²	25	61 Å²	61	26%	0.258	37%	0.365	S	S	.	.	S	Bend	trans	-66.5	163	-176.7	0	0	0	0	0	114.7	C25 S31	C25-G29 PolarHBondContact O-N 3.15Å; G29-S31 VanDerWaalsContact C-N 3.25Å; G29-S31 PolarHBondContact O-N 3.16Å; G29-S31 VanDerWaalsContact O-N 3.1Å
30	P	58.8	Low	81.3	Confident	144 Å²	144	68.5 Å²	68.5	94%	0.935	40%	0.397	S	S	*	.	S	Bend	trans	-72.5	-0.9	-167.4	27	-34.8	0	0	0	116.4
31	S	58	Low	81.1	Confident	76 Å²	76	72.1 Å²	72.1	53%	0.531	41%	0.411	S	S	.	.	S	Bend	trans	-81.4	125.3	176.5	53.2	0	0	0	0	110.4	G29 S33	G29-S31 VanDerWaalsContact C-N 3.25Å; G29-S31 PolarHBondContact O-N 3.16Å; G29-S31 VanDerWaalsContact O-N 3.1Å; S31-S33 PolarHBondContact O-N 2.92Å
32	E	56.2	Low	81	Confident	198 Å²	198	68 Å²	68	93%	0.925	39%	0.392	S	S	*	.			trans	-53.4	99.7	169.6	-75.4	-171.3	158.5	0	0	109.7
33	S	61.5	Low	81	Confident	43 Å²	43	64.8 Å²	64.8	30%	0.301	38%	0.377	S	S	.	.			trans	-67.6	129.3	176	175.5	0	0	0	0	108	S31 Y35 G36 T39	S31-S33 PolarHBondContact O-N 2.92Å; S33-Y35 PolarHBondContact O-N 3.43Å; S33-Y35 PolarHBondContact OG-N 3.48Å; S33-G36 PolarHBondContact O-N 3Å; S33-T39 PolarHBondContact OG-OG1 2.88Å; S33-T39 VanDerWaalsContact OG-OG1 3.08Å
34	P	61.9	Low	81	Confident	117 Å²	117	67 Å²	67	76%	0.76	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-6.8	174.2	23.4	-31.6	0	0	0	113.1
35	Y	68.6	Low	81.2	Confident	83 Å²	83	66.2 Å²	66.2	33%	0.325	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	35.6	179.3	-49.7	-70.8	0	0	0	113	S33 T37 V38 T39 A113	S33-Y35 PolarHBondContact O-N 3.43Å; S33-Y35 PolarHBondContact OG-N 3.48Å; Y35-T37 VanDerWaalsContact C-N 3.25Å; Y35-T37 PolarHBondContact O-N 2.9Å; Y35-V38 WeakPolarHBondContact O-CA 3.36Å; Y35-V38 PolarHBondContact O-N 3.42Å; Y35-T39 PolarHBondContact O-N 2.93Å; Y35-T39 PolarHBondContact O-OG1 3.44Å; Y35-A113 HydrophobicContact CD1-CB 3.81Å; Y35-A113 HydrophobicContact CD2-CB 3.95Å; Y35-A113 HydrophobicContact CE1-CB 4.16Å; Y35-A113 HydrophobicContact CE2-CB 4.28Å; Y35-A113 HydrophobicContact CG-CB 3.69Å
36	G	77.7	Confident	81.4	Confident	37 Å²	37	61.8 Å²	61.8	38%	0.381	36%	0.362	S	S	.	.	H	α-helix	trans	-43.6	-40.5	-169.4	0	0	0	0	0	116.4	S33 K40	S33-G36 PolarHBondContact O-N 3Å; G36-K40 WeakPolarHBondContact O-CG 3.18Å; G36-K40 PolarHBondContact O-N 3.41Å
37	T	85.3	Confident	81.8	Confident	109 Å²	109	66.1 Å²	66.1	67%	0.669	37%	0.373	S	S	*	.	H	α-helix	trans	-70.5	-43.4	176.3	-54.5	0	0	0	0	113	Y35 K40 R41	Y35-T37 VanDerWaalsContact C-N 3.25Å; Y35-T37 PolarHBondContact O-N 2.9Å; T37-K40 PolarHBondContact O-N 3.03Å; T37-R41 PolarHBondContact O-N 3.2Å; T37-R41 VanDerWaalsContact O-N 3.14Å
38	V	87.8	Confident	82.2	Confident	8 Å²	8	70.9 Å²	70.9	5%	0.048	39%	0.393	C	S	.	.	H	α-helix	trans	-66.9	-40.1	179.4	-171.3	0	0	0	0	111	Y35 K40 R41 L42 A113 E114 A117	Y35-V38 WeakPolarHBondContact O-CA 3.36Å; Y35-V38 PolarHBondContact O-N 3.42Å; V38-K40 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 3.17Å; V38-R41 WeakPolarHBondContact O-CB 3.49Å; V38-R41 PolarHBondContact O-N 3.34Å; V38-L42 HydrophobicContact CG1-CD1 4.33Å; V38-L42 PolarHBondContact O-N 3.4Å; V38-A113 HydrophobicContact CB-CB 4.47Å; V38-A113 HydrophobicContact CG1-CB 3.99Å; V38-E114 HydrophobicContact CG2-CG 4.14Å; V38-E114 WeakPolarHBondContact CG2-OE1 3.41Å; V38-A117 HydrophobicContact CG1-CB 3.53Å
39	T	88.5	Confident	82.8	Confident	16 Å²	16	67.6 Å²	67.6	10%	0.098	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-43.7	176.4	-58.5	0	0	0	0	111.1	L27 S33 Y35 R41 L42 V43	L27-T39 HydrophobicContact CB-CG2 3.84Å; L27-T39 HydrophobicContact CD2-CG2 4.13Å; L27-T39 WeakPolarHBondContact O-CG2 3.32Å; S33-T39 PolarHBondContact OG-OG1 2.88Å; S33-T39 VanDerWaalsContact OG-OG1 3.08Å; Y35-T39 PolarHBondContact O-N 2.93Å; Y35-T39 PolarHBondContact O-OG1 3.44Å; T39-R41 PolarHBondContact O-N 3.27Å; T39-L42 PolarHBondContact O-N 3.23Å; T39-V43 VanDerWaalsContact O-CG2 3.32Å; T39-V43 WeakPolarHBondContact O-CG2 3.5Å; T39-V43 PolarHBondContact O-N 2.88Å
40	K	90.6	Very high	83.9	Confident	162 Å²	162	68.7 Å²	68.7	70%	0.704	37%	0.366	S	S	*	.	H	α-helix	trans	-61.5	-43.9	174.7	-73.3	174.7	-177	179.3	0	112.3	G36 T37 V38 V43 A44	G36-K40 WeakPolarHBondContact O-CG 3.18Å; G36-K40 PolarHBondContact O-N 3.41Å; T37-K40 PolarHBondContact O-N 3.03Å; V38-K40 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 3.17Å; K40-V43 PolarHBondContact O-N 3.5Å; K40-A44 WeakPolarHBondContact O-CB 3.42Å; K40-A44 PolarHBondContact O-N 3.42Å
41	R	94.5	Very high	85.7	Confident	77 Å²	77	67.4 Å²	67.4	29%	0.291	35%	0.348	S	S	.	.	H	α-helix	trans	-59.4	-49.1	175.4	-79.4	171.4	58.1	-156.2	1.9	112	T37 V38 T39 V43 A44 C45 E114 E121	T37-R41 PolarHBondContact O-N 3.2Å; T37-R41 VanDerWaalsContact O-N 3.14Å; V38-R41 WeakPolarHBondContact O-CB 3.49Å; V38-R41 PolarHBondContact O-N 3.34Å; T39-R41 PolarHBondContact O-N 3.27Å; R41-V43 PolarHBondContact O-N 3.45Å; R41-A44 PolarHBondContact O-N 3.38Å; R41-C45 WeakPolarHBondContact O-CB 3.25Å; R41-C45 PolarHBondContact O-N 3.4Å; R41-E114 IonicContact CZ-OE2 2.76Å; R41-E114 IonicContact NH1-OE1 3.13Å; R41-E114 IonicContact NH1-OE2 2.78Å; R41-E114 PolarHBondContact NH1-OE2 3.08Å; R41-E114 IonicContact NH2-OE2 3.88Å; R41-E121 WeakPolarHBondContact CB-OE1 3.43Å; R41-E121 IonicContact CZ-OE1 2.76Å; R41-E121 IonicContact CZ-OE2 2.66Å; R41-E121 IonicContact NE-OE1 3.51Å; R41-E121 PolarHBondContact NE-OE1 2.8Å; R41-E121 IonicContact NE-OE2 2.93Å; R41-E121 VanDerWaalsContact NH2-CD 3.32Å; R41-E121 IonicContact NH2-OE1 2.68Å; R41-E121 PolarHBondContact NH2-OE1 3.37Å; R41-E121 IonicContact NH2-OE2 3.98Å; R41-E121 PolarHBondContact NH2-OE2 2.97Å
42	L	94.4	Very high	87.6	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-58.9	-45.2	176.7	-83.6	168.8	0	0	0	112.3	L27 V38 T39 A44 C45 M46 I102 A117 M120	L27-L42 HydrophobicContact CD1-CB 3.77Å; L27-L42 HydrophobicContact CD1-CD1 4.41Å; V38-L42 HydrophobicContact CG1-CD1 4.33Å; V38-L42 PolarHBondContact O-N 3.4Å; T39-L42 PolarHBondContact O-N 3.23Å; L42-A44 PolarHBondContact O-N 3.18Å; L42-C45 WeakPolarHBondContact O-CB 3.23Å; L42-C45 PolarHBondContact O-N 3.4Å; L42-M46 VanDerWaalsContact O-CG 3.26Å; L42-M46 WeakPolarHBondContact O-CG 3.33Å; L42-M46 PolarHBondContact O-N 3.24Å; L42-I102 HydrophobicContact CD2-CD1 4.07Å; L42-A117 HydrophobicContact CD1-CB 4.28Å; L42-A117 HydrophobicContact CD2-CB 3.99Å; L42-A117 HydrophobicContact CG-CB 3.8Å; L42-M120 HydrophobicContact CD2-CB 4.23Å
43	V	95.2	Very high	89.5	Confident	8 Å²	8	55.4 Å²	55.4	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-44.2	177.2	170.4	0	0	0	0	111.3	I24 L27 T39 K40 R41 C45 M46 R47	I24-V43 HydrophobicContact CG1-CG1 4.49Å; I24-V43 HydrophobicContact CG2-CG1 4.37Å; L27-V43 HydrophobicContact CB-CG2 3.5Å; L27-V43 HydrophobicContact CD1-CG2 4.14Å; L27-V43 HydrophobicContact CG-CG2 4.49Å; T39-V43 VanDerWaalsContact O-CG2 3.32Å; T39-V43 WeakPolarHBondContact O-CG2 3.5Å; T39-V43 PolarHBondContact O-N 2.88Å; K40-V43 PolarHBondContact O-N 3.5Å; R41-V43 PolarHBondContact O-N 3.45Å; V43-C45 VanDerWaalsContact C-N 3.33Å; V43-C45 PolarHBondContact O-N 3.12Å; V43-M46 PolarHBondContact O-N 3.1Å; V43-R47 VanDerWaalsContact CG1-CZ 3.43Å; V43-R47 WeakPolarHBondContact O-CG 3.27Å; V43-R47 PolarHBondContact O-N 2.91Å; V43-R47 VanDerWaalsContact O-N 3.07Å
44	A	96.3	Very high	91.2	Very high	46 Å²	46	60 Å²	60	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-42.3	175.9	0	0	0	0	0	111.7	K40 R41 L42 R47 K48	K40-A44 WeakPolarHBondContact O-CB 3.42Å; K40-A44 PolarHBondContact O-N 3.42Å; R41-A44 PolarHBondContact O-N 3.38Å; L42-A44 PolarHBondContact O-N 3.18Å; A44-R47 PolarHBondContact O-N 3.42Å; A44-K48 WeakPolarHBondContact O-CG 3.48Å; A44-K48 PolarHBondContact O-N 3Å
45	C	97.4	Very high	92.8	Very high	7 Å²	7	55.7 Å²	55.7	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-47.6	176.6	-170.6	0	0	0	0	111.8	R41 L42 V43 R47 K48 I49 M120 E121 C124	R41-C45 WeakPolarHBondContact O-CB 3.25Å; R41-C45 PolarHBondContact O-N 3.4Å; L42-C45 WeakPolarHBondContact O-CB 3.23Å; L42-C45 PolarHBondContact O-N 3.4Å; V43-C45 VanDerWaalsContact C-N 3.33Å; V43-C45 PolarHBondContact O-N 3.12Å; C45-R47 VanDerWaalsContact C-N 3.31Å; C45-R47 PolarHBondContact O-N 3.12Å; C45-K48 PolarHBondContact O-N 3.37Å; C45-K48 VanDerWaalsContact O-N 3.12Å; C45-I49 WeakPolarHBondContact O-CG1 3.37Å; C45-I49 PolarHBondContact O-N 2.99Å; C45-M120 VanDerWaalsContact SG-C 3.59Å; C45-M120 PolarHBondContact SG-O 2.86Å; C45-M120 VanDerWaalsContact SG-O 3.41Å; C45-E121 HydrophobicContact CB-CG 4.28Å; C45-C124 VanDerWaalsContact SG-CB 3.55Å
46	M	97.6	Very high	94.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-38.3	176.9	-69.6	-68.1	178.7	0	0	112.6	N23 I24 L42 V43 R50 I102 M120	N23-M46 HydrophobicContact CB-CE 3.83Å; N23-M46 HydrophobicContact CB-CG 3.88Å; N23-M46 HydrophobicContact CB-SD 3.94Å; I24-M46 HydrophobicContact CD1-CB 4.18Å; I24-M46 HydrophobicContact CG1-CB 3.81Å; L42-M46 VanDerWaalsContact O-CG 3.26Å; L42-M46 WeakPolarHBondContact O-CG 3.33Å; L42-M46 PolarHBondContact O-N 3.24Å; V43-M46 PolarHBondContact O-N 3.1Å; M46-R50 VanDerWaalsContact O-CB 3.32Å; M46-R50 WeakPolarHBondContact O-CB 3.11Å; M46-R50 PolarHBondContact O-N 3.07Å; M46-I102 HydrophobicContact CE-CD1 4.21Å; M46-M120 HydrophobicContact CE-CE 3.77Å; M46-M120 HydrophobicContact CE-CG 4.04Å; M46-M120 HydrophobicContact CE-SD 4.16Å
47	R	97.9	Very high	94.9	Very high	141 Å²	141	53.3 Å²	53.3	53%	0.532	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-43.7	174.1	-73	179.9	-176.5	132.9	4.4	112	I24 V43 A44 C45 R50 Q51	I24-R47 HydrophobicContact CD1-CG 3.63Å; I24-R47 HydrophobicContact CG1-CG 4.29Å; V43-R47 VanDerWaalsContact CG1-CZ 3.43Å; V43-R47 WeakPolarHBondContact O-CG 3.27Å; V43-R47 PolarHBondContact O-N 2.91Å; V43-R47 VanDerWaalsContact O-N 3.07Å; A44-R47 PolarHBondContact O-N 3.42Å; C45-R47 VanDerWaalsContact C-N 3.31Å; C45-R47 PolarHBondContact O-N 3.12Å; R47-R50 PolarHBondContact O-N 3.34Å; R47-Q51 PolarHBondContact O-N 3.45Å
48	K	97.4	Very high	95.3	Very high	120 Å²	120	52 Å²	52	52%	0.522	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-47.5	176.7	-73.4	-177	177.1	-173.8	0	111.7	A44 C45 R50 Q51 H52	A44-K48 WeakPolarHBondContact O-CG 3.48Å; A44-K48 PolarHBondContact O-N 3Å; C45-K48 PolarHBondContact O-N 3.37Å; C45-K48 VanDerWaalsContact O-N 3.12Å; K48-R50 VanDerWaalsContact C-N 3.3Å; K48-R50 PolarHBondContact O-N 3.36Å; K48-Q51 WeakPolarHBondContact O-CB 3.33Å; K48-Q51 PolarHBondContact O-N 3.48Å; K48-Q51 VanDerWaalsContact O-N 3.12Å; K48-H52 PolarHBondContact O-CD2 3.42Å; K48-H52 PolarHBondContact O-N 3.1Å
49	I	98.3	Very high	95.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.6	-47.4	176.1	-71.9	172.8	0	0	0	110.6	L16 C45 Q51 H52 G53 I95 M120 C124 L127	L16-I49 HydrophobicContact CD1-CG2 3.86Å; L16-I49 HydrophobicContact CG-CG2 4.39Å; C45-I49 WeakPolarHBondContact O-CG1 3.37Å; C45-I49 PolarHBondContact O-N 2.99Å; I49-Q51 VanDerWaalsContact C-N 3.33Å; I49-Q51 PolarHBondContact O-N 3.45Å; I49-H52 PolarHBondContact O-N 3.01Å; I49-G53 PolarHBondContact O-N 3.07Å; I49-I95 HydrophobicContact CD1-CG2 4.04Å; I49-I95 HydrophobicContact CG2-CD1 4.42Å; I49-I95 HydrophobicContact CG2-CG2 3.72Å; I49-M120 HydrophobicContact CD1-CG 3.68Å; I49-M120 HydrophobicContact CD1-SD 3.32Å; I49-M120 WeakPolarHBondContact CD1-SD 3.36Å; I49-C124 HydrophobicContact CD1-CB 4.08Å; I49-C124 HydrophobicContact CG1-CB 3.75Å; I49-L127 HydrophobicContact CG2-CD2 4.14Å
50	R	98	Very high	95.9	Very high	49 Å²	49	51.5 Å²	51.5	19%	0.185	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-42.7	177.2	-168.7	-176	178.3	-179.2	9.5	112.3	D17 C20 E21 M46 R47 K48 G53 R54	D17-R50 VanDerWaalsContact OD1-CG 3.24Å; D17-R50 WeakPolarHBondContact OD1-CG 3.34Å; D17-R50 IonicContact OD1-CZ 3.55Å; D17-R50 IonicContact OD1-NE 3.62Å; D17-R50 PolarHBondContact OD1-NE 3.07Å; D17-R50 IonicContact OD1-NH2 3.43Å; D17-R50 PolarHBondContact OD1-NH2 3.44Å; D17-R50 IonicContact OD2-CZ 3.54Å; D17-R50 IonicContact OD2-NE 3.9Å; D17-R50 IonicContact OD2-NH2 3.72Å; D17-R50 PolarHBondContact OD2-NH2 3.47Å; C20-R50 HydrophobicContact CB-CB 3.86Å; C20-R50 HydrophobicContact CB-CG 4.17Å; E21-R50 VanDerWaalsContact CG-NH1 3.29Å; E21-R50 IonicContact OE1-CZ 3.13Å; E21-R50 IonicContact OE1-NH1 2.97Å; E21-R50 PolarHBondContact OE1-NH1 2.68Å; E21-R50 IonicContact OE1-NH2 2.6Å; E21-R50 PolarHBondContact OE1-NH2 3.01Å; M46-R50 VanDerWaalsContact O-CB 3.32Å; M46-R50 WeakPolarHBondContact O-CB 3.11Å; M46-R50 PolarHBondContact O-N 3.07Å; R47-R50 PolarHBondContact O-N 3.34Å; K48-R50 VanDerWaalsContact C-N 3.3Å; K48-R50 PolarHBondContact O-N 3.36Å; R50-G53 PolarHBondContact O-N 3.12Å; R50-R54 WeakPolarHBondContact O-CG 3.48Å; R50-R54 PolarHBondContact O-N 3.49Å
51	Q	96.9	Very high	96	Very high	117 Å²	117	46.4 Å²	46.4	55%	0.547	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-45.7	175.9	-176.6	-175.3	-0.4	0	0	111.8	R47 K48 I49 A55	R47-Q51 PolarHBondContact O-N 3.45Å; K48-Q51 WeakPolarHBondContact O-CB 3.33Å; K48-Q51 PolarHBondContact O-N 3.48Å; K48-Q51 VanDerWaalsContact O-N 3.12Å; I49-Q51 VanDerWaalsContact C-N 3.33Å; I49-Q51 PolarHBondContact O-N 3.45Å; Q51-A55 PolarHBondContact O-N 3.49Å; Q51-A55 VanDerWaalsContact O-N 3.15Å
52	H	97.5	Very high	95.9	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.083	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-44.4	175.4	-70.7	-65.6	0	0	0	111.6	K48 I49 R54 A55 L56 L127	K48-H52 PolarHBondContact O-CD2 3.42Å; K48-H52 PolarHBondContact O-N 3.1Å; I49-H52 PolarHBondContact O-N 3.01Å; H52-R54 PolarHBondContact O-N 3.24Å; H52-A55 PolarHBondContact O-N 2.78Å; H52-L56 WeakPolarHBondContact O-CB 3.31Å; H52-L56 WeakPolarHBondContact O-CG 3.22Å; H52-L56 PolarHBondContact O-N 3.13Å; H52-L127 HydrophobicContact CB-CD2 3.69Å; H52-L127 HydrophobicContact CB-CG 3.84Å
53	G	96.7	Very high	95.9	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-55.8	-51.8	177.8	0	0	0	0	0	112.8	F13 I49 R50 A55 L56 E57	F13-G53 WeakPolarHBondContact CD1-O 3.3Å; F13-G53 VanDerWaalsContact CE1-O 3.24Å; F13-G53 WeakPolarHBondContact CE1-O 2.88Å; I49-G53 PolarHBondContact O-N 3.07Å; R50-G53 PolarHBondContact O-N 3.12Å; G53-A55 VanDerWaalsContact C-N 3.3Å; G53-A55 PolarHBondContact O-N 3.49Å; G53-L56 PolarHBondContact O-N 3.29Å; G53-L56 VanDerWaalsContact O-N 3.14Å; G53-E57 PolarHBondContact O-N 2.98Å
54	R	95.9	Very high	95.7	Very high	139 Å²	139	46 Å²	46	53%	0.525	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-36	178.2	-71.9	174.3	172.3	-152.9	-19.9	113.5	D17 R50 H52 P58	D17-R54 IonicContact OD1-CZ 3.5Å; D17-R54 IonicContact OD1-NE 2.89Å; D17-R54 PolarHBondContact OD1-NE 2.99Å; D17-R54 IonicContact OD1-NH2 3.35Å; D17-R54 PolarHBondContact OD1-NH2 3.43Å; D17-R54 IonicContact OD2-NH2 2.79Å; D17-R54 PolarHBondContact OD2-NH2 2.99Å; R50-R54 WeakPolarHBondContact O-CG 3.48Å; R50-R54 PolarHBondContact O-N 3.49Å; H52-R54 PolarHBondContact O-N 3.24Å; R54-P58 WeakPolarHBondContact O-CD 3.49Å
55	A	95.7	Very high	95.5	Very high	28 Å²	28	46.8 Å²	46.8	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-30.5	177.3	0	0	0	0	0	112.5	Q51 H52 G53 R131	Q51-A55 PolarHBondContact O-N 3.49Å; Q51-A55 VanDerWaalsContact O-N 3.15Å; H52-A55 PolarHBondContact O-N 2.78Å; G53-A55 VanDerWaalsContact C-N 3.3Å; G53-A55 PolarHBondContact O-N 3.49Å; A55-R131 VanDerWaalsContact CB-CZ 3.47Å
56	L	95.9	Very high	95.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-83.6	-29.8	-177.5	-82.2	168.6	0	0	0	113.5	F13 H52 G53 V59 V60 L88 L127 R131 L134	F13-L56 HydrophobicContact CE1-CB 3.93Å; F13-L56 HydrophobicContact CZ-CB 4.08Å; H52-L56 WeakPolarHBondContact O-CB 3.31Å; H52-L56 WeakPolarHBondContact O-CG 3.22Å; H52-L56 PolarHBondContact O-N 3.13Å; G53-L56 PolarHBondContact O-N 3.29Å; G53-L56 VanDerWaalsContact O-N 3.14Å; L56-V59 WeakPolarHBondContact O-CB 3.46Å; L56-V59 PolarHBondContact O-N 3.08Å; L56-V59 VanDerWaalsContact O-N 3.1Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 3.2Å; L56-L88 HydrophobicContact CB-CD2 4.38Å; L56-L88 HydrophobicContact CD1-CD1 3.82Å; L56-L88 HydrophobicContact CD1-CD2 4.1Å; L56-L88 HydrophobicContact CD2-CD2 4.16Å; L56-L88 HydrophobicContact CG-CD2 4.46Å; L56-L127 HydrophobicContact CD1-CD1 3.59Å; L56-L127 HydrophobicContact CD1-CG 4.35Å; L56-R131 HydrophobicContact CD1-CB 4.04Å; L56-R131 HydrophobicContact CD2-CB 3.89Å; L56-R131 HydrophobicContact CD2-CG 3.93Å; L56-R131 HydrophobicContact CG-CB 4.06Å; L56-R131 HydrophobicContact CG-CG 4.11Å; L56-L134 HydrophobicContact CD2-CB 4.24Å; L56-L134 HydrophobicContact CD2-CD2 4.01Å
57	E	95.6	Very high	95.1	Very high	70 Å²	70	49.1 Å²	49.1	33%	0.327	26%	0.256	S	S	.	.	H	α-helix	trans	-51	-52.6	-179.3	-175.7	170.7	-159	0	0	113.9	F13 G53 V59 V60 A61	F13-E57 HydrophobicContact CB-CB 4.37Å; F13-E57 HydrophobicContact CB-CG 4.12Å; F13-E57 HydrophobicContact CD1-CB 3.9Å; F13-E57 HydrophobicContact CD1-CG 4.5Å; F13-E57 HydrophobicContact CD2-CB 4Å; F13-E57 HydrophobicContact CD2-CG 3.89Å; F13-E57 HydrophobicContact CE1-CB 4.15Å; F13-E57 HydrophobicContact CE2-CB 4.27Å; F13-E57 HydrophobicContact CE2-CG 4.46Å; F13-E57 HydrophobicContact CG-CB 3.83Å; F13-E57 HydrophobicContact CG-CG 3.92Å; F13-E57 HydrophobicContact CZ-CB 4.33Å; G53-E57 PolarHBondContact O-N 2.98Å; E57-V59 VanDerWaalsContact C-N 3.31Å; E57-V59 PolarHBondContact O-N 3.05Å; E57-V60 PolarHBondContact O-N 2.59Å; E57-A61 PolarHBondContact O-N 2.7Å
58	P	94.3	Very high	94.9	Very high	82 Å²	82	46.8 Å²	46.8	53%	0.532	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-31.6	178	26.3	-35	0	0	0	113	R54 A61 S62	R54-P58 WeakPolarHBondContact O-CD 3.49Å; P58-A61 PolarHBondContact O-N 3.17Å; P58-S62 PolarHBondContact O-N 2.97Å
59	V	93.5	Very high	94.8	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-46.3	177.2	179.6	0	0	0	0	109.9	L56 E57 A61 S62 F63 L134	L56-V59 WeakPolarHBondContact O-CB 3.46Å; L56-V59 PolarHBondContact O-N 3.08Å; L56-V59 VanDerWaalsContact O-N 3.1Å; E57-V59 VanDerWaalsContact C-N 3.31Å; E57-V59 PolarHBondContact O-N 3.05Å; V59-A61 PolarHBondContact O-N 3.42Å; V59-S62 PolarHBondContact O-N 2.97Å; V59-S62 PolarHBondContact O-OG 2.98Å; V59-F63 HydrophobicContact CG1-CD2 4.11Å; V59-F63 HydrophobicContact CG1-CE2 3.63Å; V59-F63 VanDerWaalsContact O-CD2 3.27Å; V59-F63 WeakPolarHBondContact O-CD2 3.45Å; V59-F63 PolarHBondContact O-N 3.46Å; V59-L134 HydrophobicContact CG1-CB 4.14Å; V59-L134 HydrophobicContact CG1-CD2 4.24Å
60	V	95.1	Very high	94.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-43.8	176	172.5	0	0	0	0	111.2	H9 F13 L56 E57 S62 F63 T64 V85 L88 L134	H9-V60 HydrophobicContact CB-CG1 4.24Å; F13-V60 HydrophobicContact CE2-CB 4.02Å; F13-V60 HydrophobicContact CE2-CG1 4.2Å; F13-V60 HydrophobicContact CE2-CG2 4.06Å; F13-V60 HydrophobicContact CZ-CB 4.29Å; F13-V60 HydrophobicContact CZ-CG2 3.87Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 3.2Å; E57-V60 PolarHBondContact O-N 2.59Å; V60-S62 PolarHBondContact O-N 3.43Å; V60-F63 PolarHBondContact O-N 3.01Å; V60-F63 VanDerWaalsContact O-N 3.09Å; V60-T64 HydrophobicContact CG1-CG2 4.09Å; V60-T64 WeakPolarHBondContact O-CG2 3.49Å; V60-T64 PolarHBondContact O-N 3.2Å; V60-T64 PolarHBondContact O-OG1 3.25Å; V60-V85 HydrophobicContact CG1-CG1 3.84Å; V60-V85 HydrophobicContact CG1-CG2 4.47Å; V60-L88 HydrophobicContact CG2-CD2 3.48Å; V60-L88 VanDerWaalsContact CG2-CD2 3.48Å; V60-L134 HydrophobicContact CG2-CD2 3.85Å
61	A	92.7	Very high	94.6	Very high	54 Å²	54	43.6 Å²	43.6	45%	0.446	24%	0.24	S	C	.	.	H	α-helix	trans	-58.6	-35.6	176.7	0	0	0	0	0	112.5	E57 P58 V59 T64 A65	E57-A61 PolarHBondContact O-N 2.7Å; P58-A61 PolarHBondContact O-N 3.17Å; V59-A61 PolarHBondContact O-N 3.42Å; A61-T64 WeakPolarHBondContact CA-OG1 3.28Å; A61-T64 PolarHBondContact O-OG1 3.36Å; A61-T64 VanDerWaalsContact O-OG1 3.1Å; A61-A65 PolarHBondContact O-N 2.95Å
62	S	92	Very high	94.6	Very high	42 Å²	42	38.6 Å²	38.6	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-67.2	-38.5	175.4	77.6	0	0	0	0	112.7	P58 V59 V60	P58-S62 PolarHBondContact O-N 2.97Å; V59-S62 PolarHBondContact O-N 2.97Å; V59-S62 PolarHBondContact O-OG 2.98Å; V60-S62 PolarHBondContact O-N 3.43Å
63	F	93.5	Very high	94.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-46.1	176.9	-74	-59.3	0	0	0	112.5	V59 V60 A65 V66 Y67 Y81 V85 L134 A137 Q138 L141	V59-F63 HydrophobicContact CG1-CD2 4.11Å; V59-F63 HydrophobicContact CG1-CE2 3.63Å; V59-F63 VanDerWaalsContact O-CD2 3.27Å; V59-F63 WeakPolarHBondContact O-CD2 3.45Å; V59-F63 PolarHBondContact O-N 3.46Å; V60-F63 PolarHBondContact O-N 3.01Å; V60-F63 VanDerWaalsContact O-N 3.09Å; F63-A65 PolarHBondContact O-N 2.9Å; F63-V66 PolarHBondContact O-N 3.42Å; F63-Y67 VanDerWaalsContact O-CB 3.31Å; F63-Y67 WeakPolarHBondContact O-CB 3.34Å; F63-Y67 PolarHBondContact O-N 3.19Å; F63-Y81 AromaticContact CD1-CD1 3.72Å; F63-Y81 HydrophobicContact CD1-CD1 3.72Å; F63-Y81 HydrophobicContact CD1-CE1 4.4Å; F63-Y81 HydrophobicContact CD1-CG 4.19Å; F63-Y81 AromaticContact CE1-CD1 3.38Å; F63-Y81 HydrophobicContact CE1-CD1 3.38Å; F63-Y81 AromaticContact CE1-CE1 3.74Å; F63-Y81 HydrophobicContact CE1-CE1 3.74Å; F63-Y81 HydrophobicContact CE1-CG 4.28Å; F63-Y81 HydrophobicContact CZ-CD1 4.27Å; F63-V85 HydrophobicContact CB-CG2 3.92Å; F63-V85 HydrophobicContact CD2-CG2 4.31Å; F63-V85 HydrophobicContact CG-CG2 4.4Å; F63-L134 HydrophobicContact CD2-CD2 4.29Å; F63-L134 HydrophobicContact CE2-CB 4.26Å; F63-L134 HydrophobicContact CE2-CD2 4.13Å; F63-L134 HydrophobicContact CE2-CG 4.17Å; F63-A137 HydrophobicContact CE1-CB 4.19Å; F63-A137 HydrophobicContact CE2-CB 4.5Å; F63-A137 HydrophobicContact CZ-CB 3.66Å; F63-Q138 HydrophobicContact CZ-CB 3.92Å; F63-L141 HydrophobicContact CD1-CD2 4.06Å; F63-L141 HydrophobicContact CE1-CB 4.38Å; F63-L141 HydrophobicContact CE1-CD2 3.97Å
64	T	91.6	Very high	94.2	Very high	36 Å²	36	45 Å²	45	22%	0.221	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-27.2	-178.4	54.2	0	0	0	0	112	V60 A61 V66 Y67 V85	V60-T64 HydrophobicContact CG1-CG2 4.09Å; V60-T64 WeakPolarHBondContact O-CG2 3.49Å; V60-T64 PolarHBondContact O-N 3.2Å; V60-T64 PolarHBondContact O-OG1 3.25Å; A61-T64 WeakPolarHBondContact CA-OG1 3.28Å; A61-T64 PolarHBondContact O-OG1 3.36Å; A61-T64 VanDerWaalsContact O-OG1 3.1Å; T64-V66 VanDerWaalsContact C-N 3.31Å; T64-V66 PolarHBondContact O-N 2.84Å; T64-Y67 HydrophobicContact CG2-CE1 4.27Å; T64-Y67 WeakPolarHBondContact O-CD2 3.42Å; T64-Y67 WeakPolarHBondContact O-CE2 2.96Å; T64-V85 HydrophobicContact CG2-CG1 4.44Å
65	A	92.1	Very high	94.1	Very high	61 Å²	61	47.1 Å²	47.1	50%	0.504	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.5	174.5	0	0	0	0	0	114.1	A61 F63 H68	A61-A65 PolarHBondContact O-N 2.95Å; F63-A65 PolarHBondContact O-N 2.9Å; A65-H68 PolarHBondContact O-CE1 3.39Å
66	V	92.9	Very high	94	Very high	44 Å²	44	47 Å²	47	27%	0.267	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-21.2	-167.1	-56.3	0	0	0	0	115.5	F63 T64 H68 H69 Y70 L141	F63-V66 PolarHBondContact O-N 3.42Å; T64-V66 VanDerWaalsContact C-N 3.31Å; T64-V66 PolarHBondContact O-N 2.84Å; V66-H68 PolarHBondContact O-N 3.06Å; V66-H69 WeakPolarHBondContact O-CB 3.38Å; V66-H69 PolarHBondContact O-N 3.26Å; V66-Y70 HydrophobicContact CG2-CE2 4.46Å; V66-Y70 WeakPolarHBondContact O-CD2 3.29Å; V66-L141 HydrophobicContact CG2-CD1 4Å; V66-L141 HydrophobicContact CG2-CD2 3.91Å
67	Y	93.9	Very high	93.9	Very high	13 Å²	13	50.1 Å²	50.1	5%	0.051	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-55.8	-23.6	-174.7	64.5	173.3	0	0	0	114.9	E6 F63 T64 H69 Y70 N79 R82	E6-Y67 PolarHBondContact OE1-OH 3.2Å; F63-Y67 VanDerWaalsContact O-CB 3.31Å; F63-Y67 WeakPolarHBondContact O-CB 3.34Å; F63-Y67 PolarHBondContact O-N 3.19Å; T64-Y67 HydrophobicContact CG2-CE1 4.27Å; T64-Y67 WeakPolarHBondContact O-CD2 3.42Å; T64-Y67 WeakPolarHBondContact O-CE2 2.96Å; Y67-H69 PolarHBondContact O-N 2.95Å; Y67-Y70 WeakPolarHBondContact O-CB 3.41Å; Y67-Y70 PolarHBondContact O-N 3.14Å; Y67-N79 PolarHBondContact O-ND2 3.02Å; Y67-R82 HydrophobicContact CD1-CB 3.66Å; Y67-R82 HydrophobicContact CD1-CG 4Å; Y67-R82 HydrophobicContact CE1-CB 4.11Å; Y67-R82 HydrophobicContact CE1-CG 3.9Å; Y67-R82 HydrophobicContact CG-CB 4.44Å; Y67-R82 PolarHBondContact OH-NH1 3.17Å
68	H	94.3	Very high	93.8	Very high	91 Å²	91	47 Å²	47	42%	0.421	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-71.9	-19.3	179.5	64.4	-84.7	0	0	0	112.5	A65 V66 Y70 D71	A65-H68 PolarHBondContact O-CE1 3.39Å; V66-H68 PolarHBondContact O-N 3.06Å; H68-Y70 PolarHBondContact O-N 2.84Å; H68-D71 WeakPolarHBondContact CA-OD2 3.47Å
69	H	94.3	Very high	93.9	Very high	85 Å²	85	43.1 Å²	43.1	39%	0.394	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-71.2	-18.1	170.5	-59.9	-22.1	0	0	0	112.6	V66 Y67 H146	V66-H69 WeakPolarHBondContact O-CB 3.38Å; V66-H69 PolarHBondContact O-N 3.26Å; Y67-H69 PolarHBondContact O-N 2.95Å; H69-H146 AromaticContact CD2-NE2 3.36Å; H69-H146 PolarHBondContact CD2-NE2 2.87Å; H69-H146 AromaticContact CG-NE2 3.82Å
70	Y	95.8	Very high	94	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.039	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.1	-179.3	-61.3	-94.3	0	0	0	112.7	V66 Y67 H68 Y81 L141 E148 L149 V632 K636	V66-Y70 HydrophobicContact CG2-CE2 4.46Å; V66-Y70 WeakPolarHBondContact O-CD2 3.29Å; Y67-Y70 WeakPolarHBondContact O-CB 3.41Å; Y67-Y70 PolarHBondContact O-N 3.14Å; H68-Y70 PolarHBondContact O-N 2.84Å; Y70-Y81 HydrophobicContact CD1-CD2 4.32Å; Y70-Y81 AromaticContact CD1-CE2 3.89Å; Y70-Y81 HydrophobicContact CD1-CE2 3.89Å; Y70-Y81 HydrophobicContact CD2-CD2 4.16Å; Y70-Y81 HydrophobicContact CD2-CE2 4.29Å; Y70-Y81 AromaticContact CE1-CE2 3.94Å; Y70-Y81 HydrophobicContact CE1-CE2 3.94Å; Y70-Y81 HydrophobicContact CE2-CE2 4.35Å; Y70-Y81 HydrophobicContact CG-CD2 4.04Å; Y70-Y81 HydrophobicContact CG-CE2 4.06Å; Y70-L141 HydrophobicContact CE1-CD1 4.44Å; Y70-L141 HydrophobicContact CE2-CD1 3.62Å; Y70-L141 WeakPolarHBondContact OH-CD1 3.48Å; Y70-E148 WeakPolarHBondContact CE1-O 3.22Å; Y70-L149 HydrophobicContact CD1-CD2 3.85Å; Y70-L149 HydrophobicContact CD1-CG 4.2Å; Y70-L149 HydrophobicContact CG-CD2 4.29Å; Y70-V632 WeakPolarHBondContact O-CG1 3.33Å; Y70-K636 VanDerWaalsContact C-NZ 3.28Å; Y70-K636 PolarHBondContact O-NZ 3.01Å
71	D	96.1	Very high	94	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.043	26%	0.256	C	S	.	.	S	Bend	trans	-61	158	173.5	-68.5	-30.3	0	0	0	111.5	H68 G78 N79 R82 K636	H68-D71 WeakPolarHBondContact CA-OD2 3.47Å; D71-G78 PolarHBondContact OD1-N 3.19Å; D71-N79 PolarHBondContact OD1-ND2 3.06Å; D71-R82 IonicContact OD1-NE 2.82Å; D71-R82 IonicContact OD2-CZ 3.53Å; D71-R82 IonicContact OD2-NE 3.87Å; D71-R82 PolarHBondContact OD2-NE 2.94Å; D71-R82 IonicContact OD2-NH2 3.4Å; D71-R82 PolarHBondContact OD2-NH2 3.19Å; D71-K636 WeakPolarHBondContact O-CE 3.18Å; D71-K636 PolarHBondContact O-NZ 2.83Å
72	F	96.3	Very high	94.1	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.053	24%	0.244	C	C	.	.	S	Bend	trans	-61.6	-50.6	173	173.6	-112.4	0	0	0	110.1	T76 A635 K636 R639 V645 L647	F72-T76 HydrophobicContact CB-CG2 4.46Å; F72-T76 HydrophobicContact CD1-CG2 4.3Å; F72-A635 HydrophobicContact CD2-CB 3.5Å; F72-A635 VanDerWaalsContact CD2-CB 3.5Å; F72-A635 HydrophobicContact CE2-CB 3.49Å; F72-A635 VanDerWaalsContact CE2-CB 3.49Å; F72-A635 HydrophobicContact CG-CB 4.34Å; F72-A635 HydrophobicContact CZ-CB 4.31Å; F72-K636 HydrophobicContact CD2-CG 4.16Å; F72-R639 HydrophobicContact CE2-CB 4.16Å; F72-R639 HydrophobicContact CZ-CB 4.45Å; F72-R639 PolarHBondContact O-NH1 3.35Å; F72-R639 PolarHBondContact O-NH2 3.26Å; F72-V645 HydrophobicContact CE2-CG1 4.43Å; F72-V645 HydrophobicContact CZ-CG1 4.19Å; F72-L647 HydrophobicContact CB-CD2 3.65Å; F72-L647 HydrophobicContact CD1-CB 3.91Å; F72-L647 HydrophobicContact CE1-CB 4.24Å; F72-L647 HydrophobicContact CG-CB 4.11Å; F72-L647 HydrophobicContact CG-CD2 4.04Å
73	D	93.9	Very high	94.3	Very high	52 Å²	52	40.6 Å²	40.6	28%	0.278	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-155.9	176.3	167.4	52.4	54.6	0	0	0	110.1	Q75 T76 R639	D73-Q75 PolarHBondContact O-N 3.29Å; D73-Q75 VanDerWaalsContact O-N 3.17Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.41Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.42Å; D73-Q75 PolarHBondContact OD1-N 3.01Å; D73-T76 CarbonylContact O-C 3.55Å; D73-T76 PolarHBondContact O-N 3.26Å; D73-T76 VanDerWaalsContact O-N 3.08Å; D73-T76 WeakPolarHBondContact OD1-CB 3.25Å; D73-T76 PolarHBondContact OD1-N 3.45Å; D73-T76 PolarHBondContact OD1-OG1 3.48Å; D73-R639 IonicContact OD2-NH1 3.6Å; D73-R639 PolarHBondContact OD2-NH1 2.94Å
74	A	92.3	Very high	94.4	Very high	104 Å²	104	40.6 Å²	40.6	86%	0.86	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.7	-179.5	0	0	0	0	0	113.9
75	Q	93.6	Very high	94.6	Very high	183 Å²	183	39 Å²	39	86%	0.855	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-14.5	178.2	-61.8	-176.2	3.7	0	0	112.3	D73 P77	D73-Q75 PolarHBondContact O-N 3.29Å; D73-Q75 VanDerWaalsContact O-N 3.17Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.41Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.42Å; D73-Q75 PolarHBondContact OD1-N 3.01Å; Q75-P77 WeakPolarHBondContact O-CD 3.42Å
76	T	93.9	Very high	94.7	Very high	24 Å²	24	38.6 Å²	38.6	15%	0.147	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-122.9	67	-177.4	-43.4	0	0	0	0	109.9	F72 D73 G78 L647 V649	F72-T76 HydrophobicContact CB-CG2 4.46Å; F72-T76 HydrophobicContact CD1-CG2 4.3Å; D73-T76 CarbonylContact O-C 3.55Å; D73-T76 PolarHBondContact O-N 3.26Å; D73-T76 VanDerWaalsContact O-N 3.08Å; D73-T76 WeakPolarHBondContact OD1-CB 3.25Å; D73-T76 PolarHBondContact OD1-N 3.45Å; D73-T76 PolarHBondContact OD1-OG1 3.48Å; T76-G78 PolarHBondContact O-N 2.93Å; T76-L647 HydrophobicContact CG2-CB 4.29Å; T76-L647 HydrophobicContact CG2-CD2 4.44Å; T76-L647 HydrophobicContact CG2-CG 4.21Å; T76-L647 VanDerWaalsContact CG2-O 3.24Å; T76-L647 WeakPolarHBondContact CG2-O 3.3Å; T76-V649 HydrophobicContact CG2-CG2 4.3Å
77	P	93.6	Very high	94.8	Very high	67 Å²	67	36.5 Å²	36.5	44%	0.435	20%	0.195	S	C	.	.			trans	-64.3	133.6	176.3	28.3	-34.2	0	0	0	110.3	Q75	Q75-P77 WeakPolarHBondContact O-CD 3.42Å
78	G	93.3	Very high	95	Very high	5 Å²	5	36 Å²	36	5%	0.052	19%	0.193	C	C	.	.			trans	157.6	110.7	-179.9	0	0	0	0	0	112.2	D71 T76 V632	D71-G78 PolarHBondContact OD1-N 3.19Å; T76-G78 PolarHBondContact O-N 2.93Å; G78-V632 VanDerWaalsContact O-CG2 3.25Å; G78-V632 WeakPolarHBondContact O-CG2 3.49Å
79	N	96.2	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.			trans	-159.6	166.1	169.6	67.9	78.6	0	0	0	109.1	Y67 D71 Y81 R82 T83 L149	Y67-N79 PolarHBondContact O-ND2 3.02Å; D71-N79 PolarHBondContact OD1-ND2 3.06Å; N79-Y81 VanDerWaalsContact C-N 3.33Å; N79-Y81 PolarHBondContact O-N 2.82Å; N79-Y81 WeakPolarHBondContact OD1-CA 3.43Å; N79-Y81 VanDerWaalsContact OD1-CB 3.29Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.46Å; N79-Y81 PolarHBondContact OD1-N 2.84Å; N79-R82 WeakPolarHBondContact O-CB 3.39Å; N79-R82 PolarHBondContact O-N 2.92Å; N79-R82 VanDerWaalsContact O-N 3.17Å; N79-R82 PolarHBondContact OD1-N 3.45Å; N79-T83 PolarHBondContact O-N 3.27Å; N79-T83 PolarHBondContact O-OG1 3.44Å; N79-L149 HydrophobicContact CB-CD1 4.33Å; N79-L149 HydrophobicContact CB-CD2 4.39Å
80	G	95.9	Very high	95.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-31.5	-174.9	0	0	0	0	0	115.2	T83 L84 D629	G80-T83 PolarHBondContact O-N 3.37Å; G80-L84 VanDerWaalsContact O-CG 3.28Å; G80-L84 WeakPolarHBondContact O-CG 3.47Å; G80-L84 PolarHBondContact O-N 2.94Å; G80-D629 PolarHBondContact N-OD1 2.82Å
81	Y	96.3	Very high	95.1	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-46.8	174.3	-62.4	-65.5	0	0	0	111.3	F63 Y70 N79 T83 L84 V85 A137 L141 L149 P473	F63-Y81 AromaticContact CD1-CD1 3.72Å; F63-Y81 HydrophobicContact CD1-CD1 3.72Å; F63-Y81 HydrophobicContact CD1-CE1 4.4Å; F63-Y81 HydrophobicContact CD1-CG 4.19Å; F63-Y81 AromaticContact CE1-CD1 3.38Å; F63-Y81 HydrophobicContact CE1-CD1 3.38Å; F63-Y81 AromaticContact CE1-CE1 3.74Å; F63-Y81 HydrophobicContact CE1-CE1 3.74Å; F63-Y81 HydrophobicContact CE1-CG 4.28Å; F63-Y81 HydrophobicContact CZ-CD1 4.27Å; Y70-Y81 HydrophobicContact CD1-CD2 4.32Å; Y70-Y81 AromaticContact CD1-CE2 3.89Å; Y70-Y81 HydrophobicContact CD1-CE2 3.89Å; Y70-Y81 HydrophobicContact CD2-CD2 4.16Å; Y70-Y81 HydrophobicContact CD2-CE2 4.29Å; Y70-Y81 AromaticContact CE1-CE2 3.94Å; Y70-Y81 HydrophobicContact CE1-CE2 3.94Å; Y70-Y81 HydrophobicContact CE2-CE2 4.35Å; Y70-Y81 HydrophobicContact CG-CD2 4.04Å; Y70-Y81 HydrophobicContact CG-CE2 4.06Å; N79-Y81 VanDerWaalsContact C-N 3.33Å; N79-Y81 PolarHBondContact O-N 2.82Å; N79-Y81 WeakPolarHBondContact OD1-CA 3.43Å; N79-Y81 VanDerWaalsContact OD1-CB 3.29Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.46Å; N79-Y81 PolarHBondContact OD1-N 2.84Å; Y81-T83 VanDerWaalsContact C-N 3.3Å; Y81-T83 PolarHBondContact O-N 2.86Å; Y81-L84 PolarHBondContact O-N 3.27Å; Y81-V85 WeakPolarHBondContact O-CG2 3.26Å; Y81-V85 PolarHBondContact O-N 3.29Å; Y81-V85 VanDerWaalsContact O-N 3.15Å; Y81-A137 HydrophobicContact CD1-CB 4.14Å; Y81-A137 HydrophobicContact CE1-CB 4.09Å; Y81-A137 WeakPolarHBondContact CE1-O 3.05Å; Y81-L141 HydrophobicContact CD2-CD1 4.38Å; Y81-L141 HydrophobicContact CE1-CB 3.97Å; Y81-L141 HydrophobicContact CE1-CD1 4.23Å; Y81-L141 HydrophobicContact CE2-CD1 3.8Å; Y81-L141 WeakPolarHBondContact OH-CA 3.37Å; Y81-L141 PolarHBondContact OH-N 3.06Å; Y81-L149 HydrophobicContact CD2-CD2 4.13Å; Y81-L149 HydrophobicContact CE2-CD2 3.93Å; Y81-P473 HydrophobicContact CD1-CB 3.84Å; Y81-P473 HydrophobicContact CD1-CG 3.74Å; Y81-P473 HydrophobicContact CD2-CB 4.31Å; Y81-P473 HydrophobicContact CD2-CG 3.87Å; Y81-P473 HydrophobicContact CE1-CB 3.91Å; Y81-P473 HydrophobicContact CE1-CG 3.32Å; Y81-P473 HydrophobicContact CE2-CB 4.39Å; Y81-P473 HydrophobicContact CE2-CG 3.48Å; Y81-P473 VanDerWaalsContact CE2-CG 3.48Å; Y81-P473 HydrophobicContact CG-CB 4.04Å; Y81-P473 HydrophobicContact CG-CG 3.99Å
82	R	94.9	Very high	95.2	Very high	50 Å²	50	30 Å²	30	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-43.7	175.3	-176.2	-176.8	-69.8	-82.9	5.5	111.1	E6 Y67 D71 N79 V85 K86	E6-R82 IonicContact OE1-NH1 3.58Å; Y67-R82 HydrophobicContact CD1-CB 3.66Å; Y67-R82 HydrophobicContact CD1-CG 4Å; Y67-R82 HydrophobicContact CE1-CB 4.11Å; Y67-R82 HydrophobicContact CE1-CG 3.9Å; Y67-R82 HydrophobicContact CG-CB 4.44Å; Y67-R82 PolarHBondContact OH-NH1 3.17Å; D71-R82 IonicContact OD1-NE 2.82Å; D71-R82 IonicContact OD2-CZ 3.53Å; D71-R82 IonicContact OD2-NE 3.87Å; D71-R82 PolarHBondContact OD2-NE 2.94Å; D71-R82 IonicContact OD2-NH2 3.4Å; D71-R82 PolarHBondContact OD2-NH2 3.19Å; N79-R82 WeakPolarHBondContact O-CB 3.39Å; N79-R82 PolarHBondContact O-N 2.92Å; N79-R82 VanDerWaalsContact O-N 3.17Å; N79-R82 PolarHBondContact OD1-N 3.45Å; R82-V85 PolarHBondContact O-N 2.94Å; R82-K86 PolarHBondContact O-N 3.35Å
83	T	95.8	Very high	95.2	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-45.3	177.7	-58.6	0	0	0	0	112.3	N79 G80 Y81 V85 K86 V87 L477 A623 L624	N79-T83 PolarHBondContact O-N 3.27Å; N79-T83 PolarHBondContact O-OG1 3.44Å; G80-T83 PolarHBondContact O-N 3.37Å; Y81-T83 VanDerWaalsContact C-N 3.3Å; Y81-T83 PolarHBondContact O-N 2.86Å; T83-V85 VanDerWaalsContact C-N 3.3Å; T83-V85 PolarHBondContact O-N 3.42Å; T83-K86 WeakPolarHBondContact O-CB 3.27Å; T83-K86 PolarHBondContact O-N 3.36Å; T83-K86 VanDerWaalsContact O-N 3.07Å; T83-V87 HydrophobicContact CG2-CG2 4.19Å; T83-V87 WeakPolarHBondContact O-CG2 3.39Å; T83-V87 PolarHBondContact O-N 2.9Å; T83-L477 HydrophobicContact CG2-CD1 3.54Å; T83-L477 HydrophobicContact CG2-CD2 3.97Å; T83-L477 HydrophobicContact CG2-CG 4.41Å; T83-A623 WeakPolarHBondContact CB-O 3.18Å; T83-A623 WeakPolarHBondContact CG2-O 3.49Å; T83-A623 PolarHBondContact OG1-O 2.75Å; T83-L624 HydrophobicContact CG2-CD2 3.63Å; T83-L624 HydrophobicContact CG2-CG 4.45Å
84	L	96.1	Very high	95.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-41.8	179.1	-74.7	167	0	0	0	112	G80 Y81 V87 L88 L133 A137 P473 L476 L477	G80-L84 VanDerWaalsContact O-CG 3.28Å; G80-L84 WeakPolarHBondContact O-CG 3.47Å; G80-L84 PolarHBondContact O-N 2.94Å; Y81-L84 PolarHBondContact O-N 3.27Å; L84-V87 PolarHBondContact O-N 3.44Å; L84-L88 WeakPolarHBondContact O-CB 3.46Å; L84-L88 PolarHBondContact O-N 3.15Å; L84-L133 HydrophobicContact CD2-CB 4.46Å; L84-A137 HydrophobicContact CD1-CB 3.65Å; L84-P473 HydrophobicContact CD1-CB 4.35Å; L84-L476 HydrophobicContact CD1-CB 4.32Å; L84-L476 HydrophobicContact CD1-CD1 3.85Å; L84-L476 HydrophobicContact CD2-CB 4.2Å; L84-L477 HydrophobicContact CD2-CD2 3.68Å; L84-L477 HydrophobicContact CD2-CG 4.35Å; L84-L477 HydrophobicContact CG-CD2 4.24Å
85	V	95.6	Very high	95.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-43.8	174.1	174.2	0	0	0	0	110.9	H9 V60 F63 T64 Y81 R82 T83 V87 L88 Q89	H9-V85 WeakPolarHBondContact CE1-CG1 3.32Å; V60-V85 HydrophobicContact CG1-CG1 3.84Å; V60-V85 HydrophobicContact CG1-CG2 4.47Å; F63-V85 HydrophobicContact CB-CG2 3.92Å; F63-V85 HydrophobicContact CD2-CG2 4.31Å; F63-V85 HydrophobicContact CG-CG2 4.4Å; T64-V85 HydrophobicContact CG2-CG1 4.44Å; Y81-V85 WeakPolarHBondContact O-CG2 3.26Å; Y81-V85 PolarHBondContact O-N 3.29Å; Y81-V85 VanDerWaalsContact O-N 3.15Å; R82-V85 PolarHBondContact O-N 2.94Å; T83-V85 VanDerWaalsContact C-N 3.3Å; T83-V85 PolarHBondContact O-N 3.42Å; V85-V87 PolarHBondContact O-N 3.26Å; V85-L88 PolarHBondContact O-N 3.14Å; V85-Q89 WeakPolarHBondContact O-CG 3.37Å; V85-Q89 PolarHBondContact O-N 3.2Å
86	K	94.3	Very high	95.9	Very high	53 Å²	53	19.1 Å²	19.1	23%	0.23	11%	0.105	C	C	.	.	H	α-helix	trans	-60.8	-44.8	177.4	-167	-175.7	-169	-171.2	0	111.9	R82 T83 Q89 S90 D651 D652	R82-K86 PolarHBondContact O-N 3.35Å; T83-K86 WeakPolarHBondContact O-CB 3.27Å; T83-K86 PolarHBondContact O-N 3.36Å; T83-K86 VanDerWaalsContact O-N 3.07Å; K86-Q89 WeakPolarHBondContact O-CB 3.44Å; K86-Q89 PolarHBondContact O-N 3.09Å; K86-S90 PolarHBondContact O-N 2.88Å; K86-S90 PolarHBondContact O-OG 2.98Å; K86-D651 VanDerWaalsContact NZ-CG 3.34Å; K86-D651 IonicContact NZ-OD1 2.65Å; K86-D651 PolarHBondContact NZ-OD1 3.09Å; K86-D652 WeakPolarHBondContact CE-OD1 3.44Å; K86-D652 IonicContact NZ-OD1 3.99Å; K86-D652 PolarHBondContact NZ-OD1 3.2Å; K86-D652 IonicContact NZ-OD2 3.57Å
87	V	95.7	Very high	96	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-46.4	175.7	171.2	0	0	0	0	110.5	T83 L84 V85 Q89 S90 C91 L130 F180 Q181 L477 I480 L624	T83-V87 HydrophobicContact CG2-CG2 4.19Å; T83-V87 WeakPolarHBondContact O-CG2 3.39Å; T83-V87 PolarHBondContact O-N 2.9Å; L84-V87 PolarHBondContact O-N 3.44Å; V85-V87 PolarHBondContact O-N 3.26Å; V87-Q89 VanDerWaalsContact C-N 3.33Å; V87-Q89 PolarHBondContact O-N 3.43Å; V87-S90 WeakPolarHBondContact O-CB 3.17Å; V87-S90 PolarHBondContact O-N 3.24Å; V87-C91 PolarHBondContact O-N 2.93Å; V87-C91 VanDerWaalsContact O-N 3.09Å; V87-L130 HydrophobicContact CG1-CD1 4.48Å; V87-L130 HydrophobicContact CG1-CD2 3.66Å; V87-F180 HydrophobicContact CG1-CE2 4.1Å; V87-F180 HydrophobicContact CG1-CZ 3.65Å; V87-F180 WeakPolarHBondContact O-CE2 3.21Å; V87-Q181 HydrophobicContact CG1-CB 4.42Å; V87-Q181 HydrophobicContact CG2-CB 4.2Å; V87-L477 HydrophobicContact CG2-CD2 4.13Å; V87-I480 HydrophobicContact CB-CD1 4.38Å; V87-I480 HydrophobicContact CG1-CD1 3.51Å; V87-I480 HydrophobicContact CG2-CD1 4.06Å; V87-L624 HydrophobicContact CG2-CD2 3.44Å; V87-L624 VanDerWaalsContact CG2-CD2 3.44Å
88	L	97.1	Very high	96.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-58.3	-46.1	176.1	173.4	61.6	0	0	0	111.4	F13 L56 V60 L84 V85 S90 C91 L92 L127 L130 L134	F13-L88 HydrophobicContact CZ-CD2 4.4Å; L56-L88 HydrophobicContact CB-CD2 4.38Å; L56-L88 HydrophobicContact CD1-CD1 3.82Å; L56-L88 HydrophobicContact CD1-CD2 4.1Å; L56-L88 HydrophobicContact CD2-CD2 4.16Å; L56-L88 HydrophobicContact CG-CD2 4.46Å; V60-L88 HydrophobicContact CG2-CD2 3.48Å; V60-L88 VanDerWaalsContact CG2-CD2 3.48Å; L84-L88 WeakPolarHBondContact O-CB 3.46Å; L84-L88 PolarHBondContact O-N 3.15Å; V85-L88 PolarHBondContact O-N 3.14Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 2.85Å; L88-C91 WeakPolarHBondContact O-CB 3.39Å; L88-C91 PolarHBondContact O-N 3.44Å; L88-C91 VanDerWaalsContact O-N 3.1Å; L88-L92 HydrophobicContact CD1-CD1 4.28Å; L88-L92 HydrophobicContact CD1-CD2 4.3Å; L88-L92 HydrophobicContact CD1-CG 4.03Å; L88-L92 HydrophobicContact CG-CD1 4.18Å; L88-L92 HydrophobicContact CG-CG 4.32Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.27Å; L88-L127 HydrophobicContact CD1-CD1 3.41Å; L88-L127 VanDerWaalsContact CD1-CD1 3.41Å; L88-L130 HydrophobicContact CD1-CB 4.32Å; L88-L130 HydrophobicContact CD1-CD1 4.35Å; L88-L134 HydrophobicContact CB-CD1 4.43Å; L88-L134 HydrophobicContact CD2-CD1 4.32Å; L88-L134 HydrophobicContact CD2-CD2 3.72Å
89	Q	94.9	Very high	96.4	Very high	28 Å²	28	22.1 Å²	22.1	13%	0.131	11%	0.109	C	C	.	.	H	α-helix	trans	-57.9	-44.1	176.5	-73.4	179.8	-59.1	0	0	112.2	M7 H9 V85 K86 V87 C91 L92 V93	M7-Q89 PolarHBondContact O-NE2 3.35Å; H9-Q89 PolarHBondContact CE1-NE2 3.41Å; H9-Q89 PolarHBondContact CE1-OE1 2.86Å; H9-Q89 VanDerWaalsContact ND1-CD 3.29Å; H9-Q89 PolarHBondContact ND1-NE2 3.24Å; V85-Q89 WeakPolarHBondContact O-CG 3.37Å; V85-Q89 PolarHBondContact O-N 3.2Å; K86-Q89 WeakPolarHBondContact O-CB 3.44Å; K86-Q89 PolarHBondContact O-N 3.09Å; V87-Q89 VanDerWaalsContact C-N 3.33Å; V87-Q89 PolarHBondContact O-N 3.43Å; Q89-C91 VanDerWaalsContact C-N 3.27Å; Q89-C91 PolarHBondContact O-N 3.29Å; Q89-L92 PolarHBondContact O-N 2.86Å; Q89-V93 WeakPolarHBondContact O-CB 3.41Å; Q89-V93 VanDerWaalsContact O-CG2 3.3Å; Q89-V93 WeakPolarHBondContact O-CG2 3.34Å; Q89-V93 PolarHBondContact O-N 2.95Å
90	S	95.1	Very high	96.4	Very high	40 Å²	40	28.4 Å²	28.4	28%	0.28	13%	0.133	S	C	.	.	H	α-helix	trans	-58.5	-39	175.9	-66.9	0	0	0	0	112.2	K86 V87 L88 H94	K86-S90 PolarHBondContact O-N 2.88Å; K86-S90 PolarHBondContact O-OG 2.98Å; V87-S90 WeakPolarHBondContact O-CB 3.17Å; V87-S90 PolarHBondContact O-N 3.24Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 2.85Å; S90-H94 PolarHBondContact O-N 3.41Å
91	C	97.1	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-48.8	174.7	-173.3	0	0	0	0	111.4	V87 L88 Q89 V93 H94 I95 L130 F180	V87-C91 PolarHBondContact O-N 2.93Å; V87-C91 VanDerWaalsContact O-N 3.09Å; L88-C91 WeakPolarHBondContact O-CB 3.39Å; L88-C91 PolarHBondContact O-N 3.44Å; L88-C91 VanDerWaalsContact O-N 3.1Å; Q89-C91 VanDerWaalsContact C-N 3.27Å; Q89-C91 PolarHBondContact O-N 3.29Å; C91-V93 PolarHBondContact O-N 2.97Å; C91-H94 PolarHBondContact O-N 3.39Å; C91-I95 WeakPolarHBondContact O-CG1 3.12Å; C91-I95 PolarHBondContact O-N 3.5Å; C91-L130 HydrophobicContact CB-CD1 3.61Å; C91-F180 HydrophobicContact CB-CD2 4.3Å; C91-F180 HydrophobicContact CB-CE2 3.62Å; C91-F180 HydrophobicContact CB-CZ 4.09Å
92	L	97.8	Very high	96.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-42.7	-179.8	-65.4	-176.2	0	0	0	112.3	V12 F13 L16 L88 Q89 H94 I95 I96 L127	V12-L92 HydrophobicContact CG1-CB 3.89Å; V12-L92 HydrophobicContact CG1-CD1 4.1Å; F13-L92 HydrophobicContact CD1-CD1 4.14Å; F13-L92 HydrophobicContact CE1-CD1 3.64Å; F13-L92 HydrophobicContact CE2-CD1 4.43Å; F13-L92 HydrophobicContact CZ-CD1 3.8Å; L16-L92 HydrophobicContact CD1-CD2 4.23Å; L16-L92 HydrophobicContact CD2-CD2 3.72Å; L88-L92 HydrophobicContact CD1-CD1 4.28Å; L88-L92 HydrophobicContact CD1-CD2 4.3Å; L88-L92 HydrophobicContact CD1-CG 4.03Å; L88-L92 HydrophobicContact CG-CD1 4.18Å; L88-L92 HydrophobicContact CG-CG 4.32Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.27Å; Q89-L92 PolarHBondContact O-N 2.86Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 3.44Å; L92-I95 PolarHBondContact O-N 2.81Å; L92-I96 WeakPolarHBondContact O-CB 3.48Å; L92-I96 WeakPolarHBondContact O-CD1 3.49Å; L92-I96 WeakPolarHBondContact O-CG1 3.39Å; L92-I96 PolarHBondContact O-N 3.42Å; L92-L127 HydrophobicContact CD2-CD1 3.67Å; L92-L127 HydrophobicContact CD2-CD2 4.07Å
93	V	96.4	Very high	96.3	Very high	66 Å²	66	31.5 Å²	31.5	40%	0.4	15%	0.15	S	C	.	.	H	α-helix	trans	-61.5	-41.1	177.5	168.7	0	0	0	0	110.9	M7 Q89 C91 I96 H97	M7-V93 HydrophobicContact CE-CG2 4.11Å; Q89-V93 WeakPolarHBondContact O-CB 3.41Å; Q89-V93 VanDerWaalsContact O-CG2 3.3Å; Q89-V93 WeakPolarHBondContact O-CG2 3.34Å; Q89-V93 PolarHBondContact O-N 2.95Å; C91-V93 PolarHBondContact O-N 2.97Å; V93-I96 PolarHBondContact O-N 3.32Å; V93-H97 WeakPolarHBondContact O-CB 3.47Å; V93-H97 PolarHBondContact O-N 2.88Å
94	H	96.5	Very high	96.2	Very high	43 Å²	43	36 Å²	36	20%	0.199	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-47	174.7	-170.8	89.7	0	0	0	111.6	S90 C91 L92 I96 H97 K98 E119 Y123	S90-H94 PolarHBondContact O-N 3.41Å; C91-H94 PolarHBondContact O-N 3.39Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 3.44Å; H94-I96 VanDerWaalsContact C-N 3.35Å; H94-I96 PolarHBondContact O-N 3.1Å; H94-H97 PolarHBondContact O-N 3.3Å; H94-K98 VanDerWaalsContact O-CB 3.32Å; H94-K98 WeakPolarHBondContact O-CB 3.32Å; H94-K98 PolarHBondContact O-N 2.87Å; H94-E119 IonicContact CD2-OE1 3.39Å; H94-E119 IonicContact CE1-OE1 2.7Å; H94-E119 PolarHBondContact CE1-OE1 3.2Å; H94-E119 IonicContact NE2-OE1 3.2Å; H94-E119 PolarHBondContact NE2-OE1 3.08Å; H94-Y123 HydrophobicContact CB-CD1 4.15Å; H94-Y123 HydrophobicContact CB-CE1 3.57Å; H94-Y123 AromaticContact CD2-CD1 3.71Å; H94-Y123 AromaticContact CD2-CD2 3.69Å; H94-Y123 AromaticContact CD2-CE1 3.35Å; H94-Y123 WeakPolarHBondContact CD2-CE1 3.44Å; H94-Y123 AromaticContact CD2-CE2 3.3Å; H94-Y123 WeakPolarHBondContact CD2-CE2 3.36Å; H94-Y123 AromaticContact CD2-CG 3.88Å; H94-Y123 AromaticContact CD2-CZ 3.12Å; H94-Y123 AromaticContact CE1-CZ 3.92Å; H94-Y123 AromaticContact CG-CE1 3.47Å; H94-Y123 VanDerWaalsContact CG-CE1 3.47Å; H94-Y123 AromaticContact CG-CZ 3.42Å; H94-Y123 VanDerWaalsContact CG-CZ 3.42Å; H94-Y123 AromaticContact ND1-CZ 3.94Å; H94-Y123 AromaticContact NE2-CD2 3.98Å; H94-Y123 AromaticContact NE2-CE2 3.35Å; H94-Y123 WeakPolarHBondContact NE2-CE2 3.25Å; H94-Y123 AromaticContact NE2-CZ 3.47Å
95	I	98.2	Very high	96	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-46.5	176.6	-70.5	168.2	0	0	0	111.1	L16 I49 C91 L92 K98 G99 M120 Y123 L127	L16-I95 HydrophobicContact CD1-CB 4.27Å; L16-I95 HydrophobicContact CD1-CG2 3.59Å; I49-I95 HydrophobicContact CD1-CG2 4.04Å; I49-I95 HydrophobicContact CG2-CD1 4.42Å; I49-I95 HydrophobicContact CG2-CG2 3.72Å; C91-I95 WeakPolarHBondContact O-CG1 3.12Å; C91-I95 PolarHBondContact O-N 3.5Å; L92-I95 PolarHBondContact O-N 2.81Å; I95-K98 PolarHBondContact O-N 2.67Å; I95-G99 PolarHBondContact O-N 3.45Å; I95-M120 HydrophobicContact CG1-SD 4.46Å; I95-M120 HydrophobicContact CG2-SD 3.96Å; I95-Y123 HydrophobicContact CG1-CD1 4.08Å; I95-Y123 HydrophobicContact CG1-CG 4.25Å; I95-L127 HydrophobicContact CD1-CB 4.33Å; I95-L127 HydrophobicContact CD1-CD2 4Å
96	I	98.3	Very high	95.6	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-48.7	178.1	-71.8	162.3	0	0	0	110.4	V12 A15 L16 V19 L92 V93 H94 G99 R100	V12-I96 HydrophobicContact CG1-CD1 3.97Å; V12-I96 WeakPolarHBondContact O-CD1 3.34Å; A15-I96 HydrophobicContact CB-CD1 4Å; L16-I96 HydrophobicContact CB-CD1 4.14Å; L16-I96 HydrophobicContact CB-CG1 4.12Å; L16-I96 HydrophobicContact CD1-CG1 3.96Å; V19-I96 HydrophobicContact CG2-CG2 4.18Å; L92-I96 WeakPolarHBondContact O-CB 3.48Å; L92-I96 WeakPolarHBondContact O-CD1 3.49Å; L92-I96 WeakPolarHBondContact O-CG1 3.39Å; L92-I96 PolarHBondContact O-N 3.42Å; V93-I96 PolarHBondContact O-N 3.32Å; H94-I96 VanDerWaalsContact C-N 3.35Å; H94-I96 PolarHBondContact O-N 3.1Å; I96-G99 PolarHBondContact O-N 2.84Å; I96-R100 WeakPolarHBondContact O-CG 3.34Å; I96-R100 PolarHBondContact O-N 2.97Å
97	H	97.3	Very high	95.1	Very high	133 Å²	133	46.4 Å²	46.4	62%	0.616	23%	0.227	S	C	*	.	H	α-helix	trans	-60.7	-48.2	179.6	-177.6	77.5	0	0	0	111.3	V93 H94 R100 Y101	V93-H97 WeakPolarHBondContact O-CB 3.47Å; V93-H97 PolarHBondContact O-N 2.88Å; H94-H97 PolarHBondContact O-N 3.3Å; H97-R100 PolarHBondContact O-N 2.79Å; H97-Y101 PolarHBondContact O-N 3.29Å; H97-Y101 VanDerWaalsContact O-N 3.09Å
98	K	97.2	Very high	94.6	Very high	26 Å²	26	48.1 Å²	48.1	11%	0.113	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-39.4	179.7	-168.4	72.3	-175.9	-171.2	0	112.1	H94 I95 Y101 I102 N116 E119 M120	H94-K98 VanDerWaalsContact O-CB 3.32Å; H94-K98 WeakPolarHBondContact O-CB 3.32Å; H94-K98 PolarHBondContact O-N 2.87Å; I95-K98 PolarHBondContact O-N 2.67Å; K98-Y101 WeakPolarHBondContact O-CB 3.31Å; K98-Y101 PolarHBondContact O-N 3.23Å; K98-I102 HydrophobicContact CG-CD1 4.31Å; K98-I102 WeakPolarHBondContact O-CG1 3.42Å; K98-I102 PolarHBondContact O-N 3.14Å; K98-N116 WeakPolarHBondContact CE-OD1 3.31Å; K98-N116 PolarHBondContact NZ-OD1 2.82Å; K98-E119 WeakPolarHBondContact CE-OE2 3.38Å; K98-E119 IonicContact NZ-OE1 3.77Å; K98-E119 IonicContact NZ-OE2 3.17Å; K98-E119 PolarHBondContact NZ-OE2 3.45Å; K98-M120 HydrophobicContact CB-CE 3.7Å; K98-M120 HydrophobicContact CG-CE 3.66Å
99	G	97.4	Very high	93.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-42.1	175.6	0	0	0	0	0	112.4	N23 I95 I96 Y101 I102 A103	N23-G99 PolarHBondContact ND2-O 2.96Å; N23-G99 PolarHBondContact OD1-O 3.28Å; I95-G99 PolarHBondContact O-N 3.45Å; I96-G99 PolarHBondContact O-N 2.84Å; G99-Y101 VanDerWaalsContact C-N 3.33Å; G99-Y101 PolarHBondContact O-N 3.43Å; G99-I102 PolarHBondContact O-N 2.91Å; G99-A103 PolarHBondContact O-N 3.44Å
100	R	97.6	Very high	93.3	Very high	131 Å²	131	60.5 Å²	60.5	49%	0.494	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-41.5	173.6	-73.1	175.4	179.9	164.6	2.1	112.1	V19 I96 H97 S104	V19-R100 HydrophobicContact CG2-CG 3.67Å; I96-R100 WeakPolarHBondContact O-CG 3.34Å; I96-R100 PolarHBondContact O-N 2.97Å; H97-R100 PolarHBondContact O-N 2.79Å; R100-S104 WeakPolarHBondContact O-CB 3.37Å; R100-S104 PolarHBondContact O-N 2.85Å; R100-S104 VanDerWaalsContact O-N 3.1Å; R100-S104 PolarHBondContact O-OG 2.96Å
101	Y	96.8	Very high	93.1	Very high	94 Å²	94	59.2 Å²	59.2	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-47.8	174.4	170.9	-93.6	0	0	0	111.5	H97 K98 G99 S104 N105 F111 N116	H97-Y101 PolarHBondContact O-N 3.29Å; H97-Y101 VanDerWaalsContact O-N 3.09Å; K98-Y101 WeakPolarHBondContact O-CB 3.31Å; K98-Y101 PolarHBondContact O-N 3.23Å; G99-Y101 VanDerWaalsContact C-N 3.33Å; G99-Y101 PolarHBondContact O-N 3.43Å; Y101-S104 PolarHBondContact O-N 3.29Å; Y101-N105 VanDerWaalsContact CD2-ND2 3.34Å; Y101-N105 WeakPolarHBondContact CD2-ND2 3.39Å; Y101-N105 HydrophobicContact CE2-CB 4.23Å; Y101-N105 WeakPolarHBondContact O-CB 3.3Å; Y101-N105 PolarHBondContact O-N 3.18Å; Y101-N105 PolarHBondContact O-ND2 2.95Å; Y101-F111 HydrophobicContact CE1-CD2 4.29Å; Y101-F111 HydrophobicContact CE1-CE2 4.08Å; Y101-N116 WeakPolarHBondContact CE1-OD1 2.95Å
102	I	94.7	Very high	92.8	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-51.5	179.2	-67.7	166.5	0	0	0	110.5	N23 L42 M46 K98 G99 S104 N105 C106 F111 N116 M120	N23-I102 WeakPolarHBondContact OD1-CB 3.47Å; N23-I102 VanDerWaalsContact OD1-CG2 3.26Å; N23-I102 WeakPolarHBondContact OD1-CG2 3.45Å; L42-I102 HydrophobicContact CD2-CD1 4.07Å; M46-I102 HydrophobicContact CE-CD1 4.21Å; K98-I102 HydrophobicContact CG-CD1 4.31Å; K98-I102 WeakPolarHBondContact O-CG1 3.42Å; K98-I102 PolarHBondContact O-N 3.14Å; G99-I102 PolarHBondContact O-N 2.91Å; I102-S104 PolarHBondContact O-N 2.94Å; I102-N105 PolarHBondContact O-N 2.9Å; I102-N105 VanDerWaalsContact O-N 3.14Å; I102-C106 HydrophobicContact CG2-CB 4.36Å; I102-C106 WeakPolarHBondContact O-CB 3.26Å; I102-C106 PolarHBondContact O-N 3.46Å; I102-F111 HydrophobicContact CG1-CE2 4.26Å; I102-F111 HydrophobicContact CG1-CZ 4.25Å; I102-F111 HydrophobicContact CG2-CZ 4.06Å; I102-N116 HydrophobicContact CD1-CB 4.13Å; I102-N116 HydrophobicContact CG1-CB 4.07Å; I102-M120 HydrophobicContact CD1-CE 3.88Å
103	A	92.7	Very high	92.5	Very high	22 Å²	22	68.2 Å²	68.2	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-56.1	-37.5	179.6	0	0	0	0	0	112.8	N23 G99	N23-A103 PolarHBondContact OD1-N 3.37Å; G99-A103 PolarHBondContact O-N 3.44Å
104	S	93.6	Very high	92.3	Very high	98 Å²	98	70 Å²	70	69%	0.685	34%	0.344	S	S	*	.	H	α-helix	trans	-79.5	-26.9	-178.5	-53.7	0	0	0	0	113.6	R100 Y101 I102	R100-S104 WeakPolarHBondContact O-CB 3.37Å; R100-S104 PolarHBondContact O-N 2.85Å; R100-S104 VanDerWaalsContact O-N 3.1Å; R100-S104 PolarHBondContact O-OG 2.96Å; Y101-S104 PolarHBondContact O-N 3.29Å; I102-S104 PolarHBondContact O-N 2.94Å
105	N	91.9	Very high	92.2	Very high	65 Å²	65	71.8 Å²	71.8	35%	0.348	35%	0.352	S	S	.	.	H	α-helix	trans	-119	-6.8	-167.7	-65.6	-88.5	0	0	0	114.4	Y101 I102 R107 G108 F111	Y101-N105 VanDerWaalsContact CD2-ND2 3.34Å; Y101-N105 WeakPolarHBondContact CD2-ND2 3.39Å; Y101-N105 HydrophobicContact CE2-CB 4.23Å; Y101-N105 WeakPolarHBondContact O-CB 3.3Å; Y101-N105 PolarHBondContact O-N 3.18Å; Y101-N105 PolarHBondContact O-ND2 2.95Å; I102-N105 PolarHBondContact O-N 2.9Å; I102-N105 VanDerWaalsContact O-N 3.14Å; N105-R107 PolarHBondContact O-N 3.31Å; N105-G108 PolarHBondContact O-N 3.2Å; N105-F111 HydrophobicContact CB-CD2 4.15Å; N105-F111 WeakPolarHBondContact O-CB 3.49Å
106	C	87.4	Confident	92	Very high	19 Å²	19	71.8 Å²	71.8	13%	0.128	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.6	-171.8	66	0	0	0	0	115.1	V26 L27 I102 F111	V26-C106 WeakPolarHBondContact CG1-SG 3.18Å; L27-C106 HydrophobicContact CD2-CB 4.02Å; I102-C106 HydrophobicContact CG2-CB 4.36Å; I102-C106 WeakPolarHBondContact O-CB 3.26Å; I102-C106 PolarHBondContact O-N 3.46Å; C106-F111 HydrophobicContact CB-CE1 4.19Å; C106-F111 HydrophobicContact CB-CZ 4.26Å
107	R	84.3	Confident	91.8	Very high	192 Å²	192	71.2 Å²	71.2	73%	0.725	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-3.7	175.6	-61	-176.4	-179.4	-179.6	0.2	113.6	N105	N105-R107 PolarHBondContact O-N 3.31Å
108	G	84.4	Confident	91.7	Very high	37 Å²	37	65.8 Å²	65.8	38%	0.381	33%	0.328	S	S	.	.	S	Bend	trans	-77.9	144.7	-178.1	0	0	0	0	0	112.6	N105 F110 F111	N105-G108 PolarHBondContact O-N 3.2Å; G108-F110 PolarHBondContact O-N 2.74Å; G108-F111 VanDerWaalsContact O-CB 3.24Å; G108-F111 WeakPolarHBondContact O-CB 3.34Å; G108-F111 PolarHBondContact O-N 3.11Å; G108-F111 VanDerWaalsContact O-N 3.09Å
109	A	80.6	Confident	91.7	Very high	91 Å²	91	65.9 Å²	65.9	75%	0.752	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.6	-178.9	0	0	0	0	0	114.3
110	F	84.8	Confident	91.6	Very high	198 Å²	198	65.9 Å²	65.9	87%	0.868	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	8.5	178.5	-59.2	-73.3	0	0	0	113.4	G108 R112	G108-F110 PolarHBondContact O-N 2.74Å; F110-R112 PolarHBondContact O-N 3.26Å; F110-R112 VanDerWaalsContact O-N 3.16Å
111	F	89.7	Confident	91.6	Very high	13 Å²	13	62.4 Å²	62.4	6%	0.057	32%	0.318	C	S	.	.			trans	-69.4	112.3	179.7	-177.8	-110.9	0	0	0	110.7	Y101 I102 N105 C106 G108 A113 N116	Y101-F111 HydrophobicContact CE1-CD2 4.29Å; Y101-F111 HydrophobicContact CE1-CE2 4.08Å; I102-F111 HydrophobicContact CG1-CE2 4.26Å; I102-F111 HydrophobicContact CG1-CZ 4.25Å; I102-F111 HydrophobicContact CG2-CZ 4.06Å; N105-F111 HydrophobicContact CB-CD2 4.15Å; N105-F111 WeakPolarHBondContact O-CB 3.49Å; C106-F111 HydrophobicContact CB-CE1 4.19Å; C106-F111 HydrophobicContact CB-CZ 4.26Å; G108-F111 VanDerWaalsContact O-CB 3.24Å; G108-F111 WeakPolarHBondContact O-CB 3.34Å; G108-F111 PolarHBondContact O-N 3.11Å; G108-F111 VanDerWaalsContact O-N 3.09Å; F111-A113 VanDerWaalsContact C-N 3.28Å; F111-A113 HydrophobicContact CD1-CB 3.85Å; F111-A113 VanDerWaalsContact CE1-CA 3.48Å; F111-A113 HydrophobicContact CE1-CB 3.77Å; F111-A113 PolarHBondContact O-N 3.02Å; F111-N116 HydrophobicContact CE2-CB 4.08Å; F111-N116 VanDerWaalsContact CE2-ND2 3.3Å; F111-N116 WeakPolarHBondContact CE2-ND2 3.41Å; F111-N116 HydrophobicContact CZ-CB 3.86Å
112	R	92.1	Very high	91.6	Very high	184 Å²	184	58.3 Å²	58.3	69%	0.694	30%	0.303	S	S	*	.			trans	-77.2	77.7	176.7	-61.9	-176.9	179	-176.8	-1.5	110.1	F110 E114 H115 N116	F110-R112 PolarHBondContact O-N 3.26Å; F110-R112 VanDerWaalsContact O-N 3.16Å; R112-E114 PolarHBondContact O-N 2.77Å; R112-H115 HydrophobicContact CB-CB 3.86Å; R112-H115 PolarHBondContact O-N 2.81Å; R112-N116 PolarHBondContact O-N 3.28Å; R112-N116 PolarHBondContact O-ND2 3.42Å
113	A	90.8	Very high	91.8	Very high	6 Å²	6	58.6 Å²	58.6	5%	0.05	30%	0.304	C	S	.	.	H	α-helix	trans	-54	-50.9	-171	0	0	0	0	0	113.2	Y35 V38 F111 H115 N116 A117	Y35-A113 HydrophobicContact CD1-CB 3.81Å; Y35-A113 HydrophobicContact CD2-CB 3.95Å; Y35-A113 HydrophobicContact CE1-CB 4.16Å; Y35-A113 HydrophobicContact CE2-CB 4.28Å; Y35-A113 HydrophobicContact CG-CB 3.69Å; V38-A113 HydrophobicContact CB-CB 4.47Å; V38-A113 HydrophobicContact CG1-CB 3.99Å; F111-A113 VanDerWaalsContact C-N 3.28Å; F111-A113 HydrophobicContact CD1-CB 3.85Å; F111-A113 VanDerWaalsContact CE1-CA 3.48Å; F111-A113 HydrophobicContact CE1-CB 3.77Å; F111-A113 PolarHBondContact O-N 3.02Å; A113-H115 PolarHBondContact O-N 3.26Å; A113-N116 PolarHBondContact O-N 2.9Å; A113-A117 WeakPolarHBondContact O-CB 3.39Å; A113-A117 PolarHBondContact O-N 3.46Å
114	E	92.6	Very high	92	Very high	103 Å²	103	58.1 Å²	58.1	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-43.2	179.3	-77.3	-66.8	172.7	0	0	112.9	V38 R41 R112 N116 A117 A118	V38-E114 HydrophobicContact CG2-CG 4.14Å; V38-E114 WeakPolarHBondContact CG2-OE1 3.41Å; R41-E114 IonicContact CZ-OE2 2.76Å; R41-E114 IonicContact NH1-OE1 3.13Å; R41-E114 IonicContact NH1-OE2 2.78Å; R41-E114 PolarHBondContact NH1-OE2 3.08Å; R41-E114 IonicContact NH2-OE2 3.88Å; R112-E114 PolarHBondContact O-N 2.77Å; E114-N116 PolarHBondContact O-N 3.1Å; E114-A117 PolarHBondContact O-N 3.39Å; E114-A118 WeakPolarHBondContact O-CB 3.46Å; E114-A118 PolarHBondContact O-N 2.69Å
115	H	93	Very high	92.2	Very high	81 Å²	81	55.3 Å²	55.3	38%	0.375	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-44.6	178.9	177.5	81.5	0	0	0	111.9	R112 A113 E119	R112-H115 HydrophobicContact CB-CB 3.86Å; R112-H115 PolarHBondContact O-N 2.81Å; A113-H115 PolarHBondContact O-N 3.26Å; H115-E119 IonicContact NE2-OE2 3.79Å; H115-E119 WeakPolarHBondContact O-CB 3.48Å; H115-E119 PolarHBondContact O-N 3.48Å
116	N	94.5	Very high	92.4	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.011	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-36.2	179	-70.6	-69.5	0	0	0	112.2	K98 Y101 I102 F111 R112 A113 E114 M120	K98-N116 WeakPolarHBondContact CE-OD1 3.31Å; K98-N116 PolarHBondContact NZ-OD1 2.82Å; Y101-N116 WeakPolarHBondContact CE1-OD1 2.95Å; I102-N116 HydrophobicContact CD1-CB 4.13Å; I102-N116 HydrophobicContact CG1-CB 4.07Å; F111-N116 HydrophobicContact CE2-CB 4.08Å; F111-N116 VanDerWaalsContact CE2-ND2 3.3Å; F111-N116 WeakPolarHBondContact CE2-ND2 3.41Å; F111-N116 HydrophobicContact CZ-CB 3.86Å; R112-N116 PolarHBondContact O-N 3.28Å; R112-N116 PolarHBondContact O-ND2 3.42Å; A113-N116 PolarHBondContact O-N 2.9Å; E114-N116 PolarHBondContact O-N 3.1Å; N116-M120 WeakPolarHBondContact O-CB 3.4Å; N116-M120 PolarHBondContact O-N 3.29Å; N116-M120 VanDerWaalsContact O-N 3.08Å
117	A	94.8	Very high	92.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-50.5	173.9	0	0	0	0	0	111.8	V38 L42 A113 E114 E119 M120 E121	V38-A117 HydrophobicContact CG1-CB 3.53Å; L42-A117 HydrophobicContact CD1-CB 4.28Å; L42-A117 HydrophobicContact CD2-CB 3.99Å; L42-A117 HydrophobicContact CG-CB 3.8Å; A113-A117 WeakPolarHBondContact O-CB 3.39Å; A113-A117 PolarHBondContact O-N 3.46Å; E114-A117 PolarHBondContact O-N 3.39Å; A117-E119 VanDerWaalsContact C-N 3.31Å; A117-E119 PolarHBondContact O-N 3.39Å; A117-M120 PolarHBondContact O-N 2.83Å; A117-E121 WeakPolarHBondContact O-CB 3.39Å; A117-E121 VanDerWaalsContact O-CG 3.31Å; A117-E121 WeakPolarHBondContact O-CG 3.45Å; A117-E121 PolarHBondContact O-N 2.7Å
118	A	95.3	Very high	93.5	Very high	20 Å²	20	42.8 Å²	42.8	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-40.6	178.5	0	0	0	0	0	112.2	E114 A122	E114-A118 WeakPolarHBondContact O-CB 3.46Å; E114-A118 PolarHBondContact O-N 2.69Å; A118-A122 WeakPolarHBondContact O-CB 3.34Å; A118-A122 PolarHBondContact O-N 2.79Å
119	E	95.9	Very high	94	Very high	27 Å²	27	41 Å²	41	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-44.3	175.8	-169.8	178.7	160.8	0	0	112.3	H94 K98 H115 A117 A122 Y123	H94-E119 IonicContact CD2-OE1 3.39Å; H94-E119 IonicContact CE1-OE1 2.7Å; H94-E119 PolarHBondContact CE1-OE1 3.2Å; H94-E119 IonicContact NE2-OE1 3.2Å; H94-E119 PolarHBondContact NE2-OE1 3.08Å; K98-E119 WeakPolarHBondContact CE-OE2 3.38Å; K98-E119 IonicContact NZ-OE1 3.77Å; K98-E119 IonicContact NZ-OE2 3.17Å; K98-E119 PolarHBondContact NZ-OE2 3.45Å; H115-E119 IonicContact NE2-OE2 3.79Å; H115-E119 WeakPolarHBondContact O-CB 3.48Å; H115-E119 PolarHBondContact O-N 3.48Å; A117-E119 VanDerWaalsContact C-N 3.31Å; A117-E119 PolarHBondContact O-N 3.39Å; E119-A122 PolarHBondContact O-N 3.19Å; E119-Y123 HydrophobicContact CG-CD2 4.27Å; E119-Y123 HydrophobicContact CG-CE2 4.38Å; E119-Y123 WeakPolarHBondContact O-CD2 3.48Å; E119-Y123 PolarHBondContact O-N 3.17Å
120	M	97	Very high	94.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-39	178.5	-167.6	59.1	64.3	0	0	112.1	L42 C45 M46 I49 I95 K98 I102 N116 A117 Y123 C124	L42-M120 HydrophobicContact CD2-CB 4.23Å; C45-M120 VanDerWaalsContact SG-C 3.59Å; C45-M120 PolarHBondContact SG-O 2.86Å; C45-M120 VanDerWaalsContact SG-O 3.41Å; M46-M120 HydrophobicContact CE-CE 3.77Å; M46-M120 HydrophobicContact CE-CG 4.04Å; M46-M120 HydrophobicContact CE-SD 4.16Å; I49-M120 HydrophobicContact CD1-CG 3.68Å; I49-M120 HydrophobicContact CD1-SD 3.32Å; I49-M120 WeakPolarHBondContact CD1-SD 3.36Å; I95-M120 HydrophobicContact CG1-SD 4.46Å; I95-M120 HydrophobicContact CG2-SD 3.96Å; K98-M120 HydrophobicContact CB-CE 3.7Å; K98-M120 HydrophobicContact CG-CE 3.66Å; I102-M120 HydrophobicContact CD1-CE 3.88Å; N116-M120 WeakPolarHBondContact O-CB 3.4Å; N116-M120 PolarHBondContact O-N 3.29Å; N116-M120 VanDerWaalsContact O-N 3.08Å; A117-M120 PolarHBondContact O-N 2.83Å; M120-Y123 PolarHBondContact O-N 2.96Å; M120-C124 WeakPolarHBondContact O-CB 3.28Å; M120-C124 PolarHBondContact O-N 2.91Å
121	E	97.4	Very high	95.3	Very high	57 Å²	57	28.2 Å²	28.2	27%	0.266	14%	0.135	S	C	.	.	H	α-helix	trans	-62.8	-43.2	174.1	-73.1	170.6	172	0	0	111.9	R41 C45 A117 Y123 C124 S125	R41-E121 WeakPolarHBondContact CB-OE1 3.43Å; R41-E121 IonicContact CZ-OE1 2.76Å; R41-E121 IonicContact CZ-OE2 2.66Å; R41-E121 IonicContact NE-OE1 3.51Å; R41-E121 PolarHBondContact NE-OE1 2.8Å; R41-E121 IonicContact NE-OE2 2.93Å; R41-E121 VanDerWaalsContact NH2-CD 3.32Å; R41-E121 IonicContact NH2-OE1 2.68Å; R41-E121 PolarHBondContact NH2-OE1 3.37Å; R41-E121 IonicContact NH2-OE2 3.98Å; R41-E121 PolarHBondContact NH2-OE2 2.97Å; C45-E121 HydrophobicContact CB-CG 4.28Å; A117-E121 WeakPolarHBondContact O-CB 3.39Å; A117-E121 VanDerWaalsContact O-CG 3.31Å; A117-E121 WeakPolarHBondContact O-CG 3.45Å; A117-E121 PolarHBondContact O-N 2.7Å; E121-Y123 PolarHBondContact O-N 3.28Å; E121-C124 WeakPolarHBondContact O-CB 3.4Å; E121-C124 PolarHBondContact O-N 3.37Å; E121-S125 PolarHBondContact O-N 2.98Å; E121-S125 PolarHBondContact O-OG 2.81Å
122	A	96.7	Very high	95.5	Very high	8 Å²	8	27.6 Å²	27.6	7%	0.066	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-44.1	175.5	0	0	0	0	0	112	A118 E119 S125 A126 R176	A118-A122 WeakPolarHBondContact O-CB 3.34Å; A118-A122 PolarHBondContact O-N 2.79Å; E119-A122 PolarHBondContact O-N 3.19Å; A122-S125 PolarHBondContact O-N 3.36Å; A122-A126 PolarHBondContact O-N 3.42Å; A122-R176 HydrophobicContact CB-CB 3.96Å; A122-R176 HydrophobicContact CB-CG 4.46Å
123	Y	97.8	Very high	95.6	Very high	7 Å²	7	19 Å²	19	3%	0.027	10%	0.1	C	C	.	.	H	α-helix	trans	-70.1	-29.9	175.6	-88.2	-96.8	0	0	0	113	H94 I95 E119 M120 E121 A126 L127 C177 F180	H94-Y123 HydrophobicContact CB-CD1 4.15Å; H94-Y123 HydrophobicContact CB-CE1 3.57Å; H94-Y123 AromaticContact CD2-CD1 3.71Å; H94-Y123 AromaticContact CD2-CD2 3.69Å; H94-Y123 AromaticContact CD2-CE1 3.35Å; H94-Y123 WeakPolarHBondContact CD2-CE1 3.44Å; H94-Y123 AromaticContact CD2-CE2 3.3Å; H94-Y123 WeakPolarHBondContact CD2-CE2 3.36Å; H94-Y123 AromaticContact CD2-CG 3.88Å; H94-Y123 AromaticContact CD2-CZ 3.12Å; H94-Y123 AromaticContact CE1-CZ 3.92Å; H94-Y123 AromaticContact CG-CE1 3.47Å; H94-Y123 VanDerWaalsContact CG-CE1 3.47Å; H94-Y123 AromaticContact CG-CZ 3.42Å; H94-Y123 VanDerWaalsContact CG-CZ 3.42Å; H94-Y123 AromaticContact ND1-CZ 3.94Å; H94-Y123 AromaticContact NE2-CD2 3.98Å; H94-Y123 AromaticContact NE2-CE2 3.35Å; H94-Y123 WeakPolarHBondContact NE2-CE2 3.25Å; H94-Y123 AromaticContact NE2-CZ 3.47Å; I95-Y123 HydrophobicContact CG1-CD1 4.08Å; I95-Y123 HydrophobicContact CG1-CG 4.25Å; E119-Y123 HydrophobicContact CG-CD2 4.27Å; E119-Y123 HydrophobicContact CG-CE2 4.38Å; E119-Y123 WeakPolarHBondContact O-CD2 3.48Å; E119-Y123 PolarHBondContact O-N 3.17Å; M120-Y123 PolarHBondContact O-N 2.96Å; E121-Y123 PolarHBondContact O-N 3.28Å; Y123-A126 PolarHBondContact O-N 3.15Å; Y123-L127 VanDerWaalsContact O-CB 3.27Å; Y123-L127 WeakPolarHBondContact O-CB 3.36Å; Y123-L127 PolarHBondContact O-N 3.33Å; Y123-C177 HydrophobicContact CE2-CB 4.46Å; Y123-F180 HydrophobicContact CE1-CB 4.24Å; Y123-F180 HydrophobicContact CE1-CG 4.32Å; Y123-F180 VanDerWaalsContact OH-CB 3.26Å; Y123-F180 WeakPolarHBondContact OH-CB 3.49Å
124	C	97.9	Very high	95.7	Very high	11 Å²	11	18.7 Å²	18.7	7%	0.074	10%	0.098	C	C	.	.	H	α-helix	trans	-64.5	-41.9	170.7	-173.9	0	0	0	0	111.4	C45 I49 M120 E121 L127 C128	C45-C124 VanDerWaalsContact SG-CB 3.55Å; I49-C124 HydrophobicContact CD1-CB 4.08Å; I49-C124 HydrophobicContact CG1-CB 3.75Å; M120-C124 WeakPolarHBondContact O-CB 3.28Å; M120-C124 PolarHBondContact O-N 2.91Å; E121-C124 WeakPolarHBondContact O-CB 3.4Å; E121-C124 PolarHBondContact O-N 3.37Å; C124-L127 PolarHBondContact O-N 3.25Å; C124-C128 WeakPolarHBondContact O-CB 3.5Å; C124-C128 PolarHBondContact O-N 2.84Å
125	S	96.7	Very high	95.7	Very high	40 Å²	40	15 Å²	15	28%	0.28	8%	0.08	S	C	.	.	H	α-helix	trans	-65	-42.8	174.7	-64.7	0	0	0	0	111.8	E121 A122 C128 Q129	E121-S125 PolarHBondContact O-N 2.98Å; E121-S125 PolarHBondContact O-OG 2.81Å; A122-S125 PolarHBondContact O-N 3.36Å; S125-C128 WeakPolarHBondContact O-CB 3.5Å; S125-C128 PolarHBondContact O-N 3.07Å; S125-Q129 PolarHBondContact O-N 3Å; S125-Q129 VanDerWaalsContact O-N 3.09Å
126	A	96.8	Very high	95.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61	-44.3	174	0	0	0	0	0	111.7	A122 Y123 C128 Q129 L130 F173	A122-A126 PolarHBondContact O-N 3.42Å; Y123-A126 PolarHBondContact O-N 3.15Å; A126-C128 VanDerWaalsContact C-N 3.33Å; A126-C128 PolarHBondContact O-N 3.45Å; A126-Q129 PolarHBondContact O-N 3.43Å; A126-L130 VanDerWaalsContact O-CG 3.3Å; A126-L130 WeakPolarHBondContact O-CG 3.38Å; A126-L130 PolarHBondContact O-N 3.27Å; A126-F173 HydrophobicContact CB-CD1 4.08Å; A126-F173 HydrophobicContact CB-CE1 3.76Å
127	L	97.6	Very high	95.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-38	176.5	-177.9	60.6	0	0	0	112.3	I49 H52 L56 L88 L92 I95 Y123 C124 L130 R131	I49-L127 HydrophobicContact CG2-CD2 4.14Å; H52-L127 HydrophobicContact CB-CD2 3.69Å; H52-L127 HydrophobicContact CB-CG 3.84Å; L56-L127 HydrophobicContact CD1-CD1 3.59Å; L56-L127 HydrophobicContact CD1-CG 4.35Å; L88-L127 HydrophobicContact CD1-CD1 3.41Å; L88-L127 VanDerWaalsContact CD1-CD1 3.41Å; L92-L127 HydrophobicContact CD2-CD1 3.67Å; L92-L127 HydrophobicContact CD2-CD2 4.07Å; I95-L127 HydrophobicContact CD1-CB 4.33Å; I95-L127 HydrophobicContact CD1-CD2 4Å; Y123-L127 VanDerWaalsContact O-CB 3.27Å; Y123-L127 WeakPolarHBondContact O-CB 3.36Å; Y123-L127 PolarHBondContact O-N 3.33Å; C124-L127 PolarHBondContact O-N 3.25Å; L127-L130 PolarHBondContact O-N 2.98Å; L127-R131 PolarHBondContact O-N 3.49Å
128	C	96.7	Very high	95.4	Very high	12 Å²	12	15.2 Å²	15.2	8%	0.081	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-46.8	173.1	-176.4	0	0	0	0	111.3	C124 S125 A126 R131 A132	C124-C128 WeakPolarHBondContact O-CB 3.5Å; C124-C128 PolarHBondContact O-N 2.84Å; S125-C128 WeakPolarHBondContact O-CB 3.5Å; S125-C128 PolarHBondContact O-N 3.07Å; A126-C128 VanDerWaalsContact C-N 3.33Å; A126-C128 PolarHBondContact O-N 3.45Å; C128-R131 WeakPolarHBondContact O-CB 3.33Å; C128-R131 PolarHBondContact O-N 3.44Å; C128-A132 PolarHBondContact O-N 2.84Å; C128-A132 VanDerWaalsContact O-N 3.14Å
129	Q	95.1	Very high	95	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71	-35.7	178.3	-66.3	-61.5	52.6	0	0	113.4	S125 A126 R131 A132 L133 H169 F173 L580	S125-Q129 PolarHBondContact O-N 3Å; S125-Q129 VanDerWaalsContact O-N 3.09Å; A126-Q129 PolarHBondContact O-N 3.43Å; Q129-R131 VanDerWaalsContact C-N 3.29Å; Q129-R131 PolarHBondContact O-N 3.19Å; Q129-A132 WeakPolarHBondContact O-CB 3.22Å; Q129-A132 PolarHBondContact O-N 3.1Å; Q129-A132 VanDerWaalsContact O-N 3.15Å; Q129-L133 WeakPolarHBondContact O-CG 3.37Å; Q129-L133 PolarHBondContact O-N 3.39Å; Q129-H169 PolarHBondContact NE2-O 2.92Å; Q129-F173 HydrophobicContact CB-CE2 3.64Å; Q129-F173 HydrophobicContact CB-CZ 3.55Å; Q129-F173 HydrophobicContact CG-CE2 4.24Å; Q129-L580 PolarHBondContact NE2-O 3.26Å
130	L	96.4	Very high	94.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-39.2	171.8	-69.3	169.6	0	0	0	111.2	V87 L88 C91 A126 L127 A132 L133 L134 F173 F180	V87-L130 HydrophobicContact CG1-CD1 4.48Å; V87-L130 HydrophobicContact CG1-CD2 3.66Å; L88-L130 HydrophobicContact CD1-CB 4.32Å; L88-L130 HydrophobicContact CD1-CD1 4.35Å; C91-L130 HydrophobicContact CB-CD1 3.61Å; A126-L130 VanDerWaalsContact O-CG 3.3Å; A126-L130 WeakPolarHBondContact O-CG 3.38Å; A126-L130 PolarHBondContact O-N 3.27Å; L127-L130 PolarHBondContact O-N 2.98Å; L130-A132 VanDerWaalsContact C-N 3.31Å; L130-A132 PolarHBondContact O-N 3.09Å; L130-L133 HydrophobicContact CD2-CD1 4.39Å; L130-L133 PolarHBondContact O-N 3.22Å; L130-L134 WeakPolarHBondContact O-CD1 3.45Å; L130-L134 PolarHBondContact O-N 3.03Å; L130-F173 HydrophobicContact CD2-CE1 4.3Å; L130-F173 HydrophobicContact CD2-CZ 4.39Å; L130-F173 HydrophobicContact CG-CE1 4.14Å; L130-F173 HydrophobicContact CG-CZ 4.25Å; L130-F180 HydrophobicContact CD1-CZ 4.13Å
131	R	95.7	Very high	94.3	Very high	21 Å²	21	21.3 Å²	21.3	8%	0.079	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-43.4	172.2	178.8	176.4	174.6	-167	-2.8	112	A55 L56 L127 C128 Q129 L134 H135 F577	A55-R131 VanDerWaalsContact CB-CZ 3.47Å; L56-R131 HydrophobicContact CD1-CB 4.04Å; L56-R131 HydrophobicContact CD2-CB 3.89Å; L56-R131 HydrophobicContact CD2-CG 3.93Å; L56-R131 HydrophobicContact CG-CB 4.06Å; L56-R131 HydrophobicContact CG-CG 4.11Å; L127-R131 PolarHBondContact O-N 3.49Å; C128-R131 WeakPolarHBondContact O-CB 3.33Å; C128-R131 PolarHBondContact O-N 3.44Å; Q129-R131 VanDerWaalsContact C-N 3.29Å; Q129-R131 PolarHBondContact O-N 3.19Å; R131-L134 PolarHBondContact O-N 2.93Å; R131-H135 PolarHBondContact NE-NE2 3.43Å; R131-H135 PolarHBondContact O-CD2 3.34Å; R131-H135 PolarHBondContact O-N 2.85Å; R131-H135 VanDerWaalsContact O-N 3.1Å; R131-F577 HydrophobicContact CB-CE2 4.42Å; R131-F577 HydrophobicContact CB-CZ 4Å; R131-F577 HydrophobicContact CG-CE1 3.97Å; R131-F577 HydrophobicContact CG-CE2 4.14Å; R131-F577 HydrophobicContact CG-CZ 3.76Å; R131-F577 VanDerWaalsContact CZ-CG 3.49Å
132	A	94.1	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.4	-48.2	175.9	0	0	0	0	0	111.5	C128 Q129 L130 L134 H135 L136 M168 Y573 F577 P579	C128-A132 PolarHBondContact O-N 2.84Å; C128-A132 VanDerWaalsContact O-N 3.14Å; Q129-A132 WeakPolarHBondContact O-CB 3.22Å; Q129-A132 PolarHBondContact O-N 3.1Å; Q129-A132 VanDerWaalsContact O-N 3.15Å; L130-A132 VanDerWaalsContact C-N 3.31Å; L130-A132 PolarHBondContact O-N 3.09Å; A132-L134 VanDerWaalsContact C-N 3.33Å; A132-L134 PolarHBondContact O-N 3.49Å; A132-H135 PolarHBondContact O-N 3.41Å; A132-H135 VanDerWaalsContact O-N 3.12Å; A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.42Å; A132-M168 HydrophobicContact CB-CE 3.58Å; A132-Y573 HydrophobicContact CB-CE1 3.94Å; A132-F577 HydrophobicContact CB-CE1 4.22Å; A132-F577 HydrophobicContact CB-CZ 4.07Å; A132-P579 HydrophobicContact CB-CB 3.75Å
133	L	93.9	Very high	93.2	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-41.9	176.3	-66.9	-178.2	0	0	0	112.5	L84 Q129 L130 H135 L136 A137 M168 L476 L479	L84-L133 HydrophobicContact CD2-CB 4.46Å; Q129-L133 WeakPolarHBondContact O-CG 3.37Å; Q129-L133 PolarHBondContact O-N 3.39Å; L130-L133 HydrophobicContact CD2-CD1 4.39Å; L130-L133 PolarHBondContact O-N 3.22Å; L133-H135 VanDerWaalsContact C-N 3.33Å; L133-H135 PolarHBondContact O-N 2.77Å; L133-L136 HydrophobicContact CD2-CD1 4.45Å; L133-L136 PolarHBondContact O-N 3.23Å; L133-A137 WeakPolarHBondContact O-CB 3.39Å; L133-A137 PolarHBondContact O-N 3.42Å; L133-M168 HydrophobicContact CD2-CE 3.97Å; L133-M168 HydrophobicContact CD2-SD 4.2Å; L133-M168 HydrophobicContact CG-CE 4.29Å; L133-L476 HydrophobicContact CD2-CB 4.19Å; L133-L476 HydrophobicContact CD2-CD2 4.44Å; L133-L476 WeakPolarHBondContact O-CD1 3.41Å; L133-L479 HydrophobicContact CD1-CB 4.29Å; L133-L479 HydrophobicContact CD1-CD2 4.06Å; L133-L479 HydrophobicContact CD2-CB 4.38Å; L133-L479 HydrophobicContact CD2-CD2 3.89Å; L133-L479 HydrophobicContact CG-CD2 4.11Å
134	L	94.4	Very high	92.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.5	-33.2	177.5	-89.8	83.5	0	0	0	112.5	L56 V59 V60 F63 L88 L130 R131 A132 A137 Q138	L56-L134 HydrophobicContact CD2-CB 4.24Å; L56-L134 HydrophobicContact CD2-CD2 4.01Å; V59-L134 HydrophobicContact CG1-CB 4.14Å; V59-L134 HydrophobicContact CG1-CD2 4.24Å; V60-L134 HydrophobicContact CG2-CD2 3.85Å; F63-L134 HydrophobicContact CD2-CD2 4.29Å; F63-L134 HydrophobicContact CE2-CB 4.26Å; F63-L134 HydrophobicContact CE2-CD2 4.13Å; F63-L134 HydrophobicContact CE2-CG 4.17Å; L88-L134 HydrophobicContact CB-CD1 4.43Å; L88-L134 HydrophobicContact CD2-CD1 4.32Å; L88-L134 HydrophobicContact CD2-CD2 3.72Å; L130-L134 WeakPolarHBondContact O-CD1 3.45Å; L130-L134 PolarHBondContact O-N 3.03Å; R131-L134 PolarHBondContact O-N 2.93Å; A132-L134 VanDerWaalsContact C-N 3.33Å; A132-L134 PolarHBondContact O-N 3.49Å; L134-A137 PolarHBondContact O-N 3.44Å; L134-Q138 WeakPolarHBondContact O-CB 3.4Å; L134-Q138 PolarHBondContact O-N 3.1Å
135	H	92.3	Very high	92.1	Very high	25 Å²	25	29.3 Å²	29.3	12%	0.116	15%	0.149	C	C	.	.	H	α-helix	trans	-68.7	-39.9	172.8	-74	-50.2	0	0	0	112	R131 A132 L133 A137 Q138 R139 Y573 F577	R131-H135 PolarHBondContact NE-NE2 3.43Å; R131-H135 PolarHBondContact O-CD2 3.34Å; R131-H135 PolarHBondContact O-N 2.85Å; R131-H135 VanDerWaalsContact O-N 3.1Å; A132-H135 PolarHBondContact O-N 3.41Å; A132-H135 VanDerWaalsContact O-N 3.12Å; L133-H135 VanDerWaalsContact C-N 3.33Å; L133-H135 PolarHBondContact O-N 2.77Å; H135-A137 VanDerWaalsContact C-N 3.33Å; H135-A137 PolarHBondContact O-N 2.96Å; H135-Q138 PolarHBondContact O-N 3.37Å; H135-R139 PolarHBondContact O-N 3.46Å; H135-R139 VanDerWaalsContact O-N 3.08Å; H135-Y573 HydrophobicContact CB-CD1 4.11Å; H135-Y573 HydrophobicContact CB-CE1 4.15Å; H135-F577 AromaticContact CD2-CD1 3.97Å; H135-F577 AromaticContact CD2-CE1 3.82Å
136	L	90.6	Very high	91.7	Very high	11 Å²	11	34 Å²	34	6%	0.058	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-44.6	171.6	-61.9	-179.6	0	0	0	111	A132 L133 Q138 R139 L140 E164 M168 L476 L571	A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.42Å; L133-L136 HydrophobicContact CD2-CD1 4.45Å; L133-L136 PolarHBondContact O-N 3.23Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 3.27Å; L136-R139 WeakPolarHBondContact O-CB 3.41Å; L136-R139 PolarHBondContact O-N 3.23Å; L136-L140 WeakPolarHBondContact O-CG 3.25Å; L136-L140 PolarHBondContact O-N 3.19Å; L136-E164 HydrophobicContact CD1-CG 4Å; L136-E164 HydrophobicContact CD2-CG 4.08Å; L136-M168 HydrophobicContact CD1-SD 4.19Å; L136-L476 HydrophobicContact CB-CD1 4.13Å; L136-L476 HydrophobicContact CB-CD2 4.06Å; L136-L476 HydrophobicContact CD1-CD2 4.17Å; L136-L571 HydrophobicContact CD2-CD1 4.15Å; L136-L571 HydrophobicContact CD2-CD2 3.67Å; L136-L571 HydrophobicContact CD2-CG 4.37Å
137	A	92.6	Very high	91.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-40.3	175.5	0	0	0	0	0	111.9	F63 Y81 L84 L133 L134 H135 R139 L140 L141 L476	F63-A137 HydrophobicContact CE1-CB 4.19Å; F63-A137 HydrophobicContact CE2-CB 4.5Å; F63-A137 HydrophobicContact CZ-CB 3.66Å; Y81-A137 HydrophobicContact CD1-CB 4.14Å; Y81-A137 HydrophobicContact CE1-CB 4.09Å; Y81-A137 WeakPolarHBondContact CE1-O 3.05Å; L84-A137 HydrophobicContact CD1-CB 3.65Å; L133-A137 WeakPolarHBondContact O-CB 3.39Å; L133-A137 PolarHBondContact O-N 3.42Å; L134-A137 PolarHBondContact O-N 3.44Å; H135-A137 VanDerWaalsContact C-N 3.33Å; H135-A137 PolarHBondContact O-N 2.96Å; A137-R139 PolarHBondContact O-N 2.96Å; A137-L140 WeakPolarHBondContact O-CB 3.36Å; A137-L140 PolarHBondContact O-N 3.28Å; A137-L141 WeakPolarHBondContact O-CB 3.26Å; A137-L141 PolarHBondContact O-N 3.16Å; A137-L476 HydrophobicContact CB-CD1 3.61Å
138	Q	91.4	Very high	91.1	Very high	78 Å²	78	38.8 Å²	38.8	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-65.3	-33.4	-179.5	-171.3	177.5	9	0	0	110.8	F63 L134 H135 L136 L141 H142	F63-Q138 HydrophobicContact CZ-CB 3.92Å; L134-Q138 WeakPolarHBondContact O-CB 3.4Å; L134-Q138 PolarHBondContact O-N 3.1Å; H135-Q138 PolarHBondContact O-N 3.37Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 3.27Å; Q138-L141 WeakPolarHBondContact O-CB 3.34Å; Q138-L141 PolarHBondContact O-N 2.79Å; Q138-H142 PolarHBondContact O-N 3.06Å
139	R	87.3	Confident	90.9	Very high	126 Å²	126	38.2 Å²	38.2	48%	0.475	19%	0.188	S	C	.	.	H	α-helix	trans	-67.6	-46.8	172.5	-171.5	68.4	-162.3	-168.2	2.1	111.9	H135 L136 A137 L141 H142 D143 L571	H135-R139 PolarHBondContact O-N 3.46Å; H135-R139 VanDerWaalsContact O-N 3.08Å; L136-R139 WeakPolarHBondContact O-CB 3.41Å; L136-R139 PolarHBondContact O-N 3.23Å; A137-R139 PolarHBondContact O-N 2.96Å; R139-L141 PolarHBondContact O-N 3.06Å; R139-H142 PolarHBondContact O-N 3.28Å; R139-D143 WeakPolarHBondContact CG-OD2 3.46Å; R139-D143 IonicContact CZ-OD1 3.22Å; R139-D143 IonicContact CZ-OD2 3.46Å; R139-D143 IonicContact NE-OD1 3.77Å; R139-D143 PolarHBondContact NE-OD1 3.24Å; R139-D143 IonicContact NE-OD2 3.24Å; R139-D143 PolarHBondContact NE-OD2 3.31Å; R139-D143 IonicContact NH2-OD1 2.83Å; R139-D143 PolarHBondContact NH2-OD1 2.85Å; R139-D143 IonicContact NH2-OD2 3.22Å; R139-D143 PolarHBondContact O-N 3.3Å; R139-L571 HydrophobicContact CG-CD2 4.46Å
140	L	89.4	Confident	90.6	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-56.6	-38.5	174	-64.8	176.3	0	0	0	111.7	L136 A137 H142 D143 N144 A471 P473 L476	L136-L140 WeakPolarHBondContact O-CG 3.25Å; L136-L140 PolarHBondContact O-N 3.19Å; A137-L140 WeakPolarHBondContact O-CB 3.36Å; A137-L140 PolarHBondContact O-N 3.28Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 3.05Å; L140-D143 PolarHBondContact O-N 3.41Å; L140-N144 WeakPolarHBondContact O-CB 3.3Å; L140-N144 PolarHBondContact O-N 2.95Å; L140-N144 PolarHBondContact O-ND2 3.09Å; L140-A471 HydrophobicContact CD1-CB 4.37Å; L140-A471 HydrophobicContact CD2-CB 3.72Å; L140-P473 HydrophobicContact CD1-CG 4.47Å; L140-L476 HydrophobicContact CD1-CD1 4.21Å; L140-L476 HydrophobicContact CD1-CG 4.48Å
141	L	89.5	Confident	89.8	Confident	34 Å²	34	41.4 Å²	41.4	18%	0.178	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-36	177.9	-174.2	73.8	0	0	0	112.6	F63 V66 Y70 Y81 A137 Q138 R139	F63-L141 HydrophobicContact CD1-CD2 4.06Å; F63-L141 HydrophobicContact CE1-CB 4.38Å; F63-L141 HydrophobicContact CE1-CD2 3.97Å; V66-L141 HydrophobicContact CG2-CD1 4Å; V66-L141 HydrophobicContact CG2-CD2 3.91Å; Y70-L141 HydrophobicContact CE1-CD1 4.44Å; Y70-L141 HydrophobicContact CE2-CD1 3.62Å; Y70-L141 WeakPolarHBondContact OH-CD1 3.48Å; Y81-L141 HydrophobicContact CD2-CD1 4.38Å; Y81-L141 HydrophobicContact CE1-CB 3.97Å; Y81-L141 HydrophobicContact CE1-CD1 4.23Å; Y81-L141 HydrophobicContact CE2-CD1 3.8Å; Y81-L141 WeakPolarHBondContact OH-CA 3.37Å; Y81-L141 PolarHBondContact OH-N 3.06Å; A137-L141 WeakPolarHBondContact O-CB 3.26Å; A137-L141 PolarHBondContact O-N 3.16Å; Q138-L141 WeakPolarHBondContact O-CB 3.34Å; Q138-L141 PolarHBondContact O-N 2.79Å; R139-L141 PolarHBondContact O-N 3.06Å
142	H	86.6	Confident	88.2	Confident	140 Å²	140	45.2 Å²	45.2	65%	0.648	24%	0.236	S	C	*	.	H	α-helix	trans	-76.4	-40.2	177.1	175.6	-84.4	0	0	0	112.3	Q138 R139 L140	Q138-H142 PolarHBondContact O-N 3.06Å; R139-H142 PolarHBondContact O-N 3.28Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 3.05Å
143	D	83.9	Confident	86.3	Confident	44 Å²	44	53.9 Å²	53.9	24%	0.235	28%	0.277	C	S	.	.	H	α-helix	trans	-83.7	-27.6	-172.8	-65.2	-14.6	0	0	0	112.4	R139 L140 L157	R139-D143 WeakPolarHBondContact CG-OD2 3.46Å; R139-D143 IonicContact CZ-OD1 3.22Å; R139-D143 IonicContact CZ-OD2 3.46Å; R139-D143 IonicContact NE-OD1 3.77Å; R139-D143 PolarHBondContact NE-OD1 3.24Å; R139-D143 IonicContact NE-OD2 3.24Å; R139-D143 PolarHBondContact NE-OD2 3.31Å; R139-D143 IonicContact NH2-OD1 2.83Å; R139-D143 PolarHBondContact NH2-OD1 2.85Å; R139-D143 IonicContact NH2-OD2 3.22Å; R139-D143 PolarHBondContact O-N 3.3Å; L140-D143 PolarHBondContact O-N 3.41Å; D143-L157 HydrophobicContact CB-CD1 3.88Å
144	N	86.1	Confident	84.7	Confident	11 Å²	11	56.9 Å²	56.9	6%	0.059	29%	0.293	C	S	.	.	S	Bend	trans	-77.8	147.8	176.7	-69.4	-12	0	0	0	112	L140 L149 S151	L140-N144 WeakPolarHBondContact O-CB 3.3Å; L140-N144 PolarHBondContact O-N 2.95Å; L140-N144 PolarHBondContact O-ND2 3.09Å; N144-L149 VanDerWaalsContact ND2-C 3.3Å; N144-L149 PolarHBondContact ND2-O 2.67Å; N144-S151 WeakPolarHBondContact OD1-CA 3.35Å; N144-S151 PolarHBondContact OD1-N 3.1Å
145	A	86.9	Confident	83.2	Confident	55 Å²	55	60.3 Å²	60.3	46%	0.455	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-63.7	152.3	170.1	0	0	0	0	0	111.2	G147 E148	A145-G147 PolarHBondContact O-N 3.25Å; A145-E148 HydrophobicContact CB-CB 4.32Å; A145-E148 HydrophobicContact CB-CG 3.99Å; A145-E148 WeakPolarHBondContact O-CB 3.18Å; A145-E148 PolarHBondContact O-N 2.64Å
146	H	88.9	Confident	82	Confident	139 Å²	139	63.1 Å²	63.1	64%	0.644	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	124	-179	179.5	-80.9	0	0	0	111.9	H69 E148	H69-H146 AromaticContact CD2-NE2 3.36Å; H69-H146 PolarHBondContact CD2-NE2 2.87Å; H69-H146 AromaticContact CG-NE2 3.82Å; H146-E148 VanDerWaalsContact C-N 3.3Å
147	G	88.2	Confident	81	Confident	12 Å²	12	63.6 Å²	63.6	12%	0.124	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-5.2	-179.8	0	0	0	0	0	115.3	A145 K636	A145-G147 PolarHBondContact O-N 3.25Å; G147-K636 PolarHBondContact O-NZ 3.38Å
148	E	92.1	Very high	80.1	Confident	88 Å²	88	64.2 Å²	64.2	41%	0.411	34%	0.344	S	S	.	.			trans	-96.4	135.2	176.8	-62.1	-63.9	134.3	0	0	111.1	Y70 A145 H146 M633	Y70-E148 WeakPolarHBondContact CE1-O 3.22Å; A145-E148 HydrophobicContact CB-CB 4.32Å; A145-E148 HydrophobicContact CB-CG 3.99Å; A145-E148 WeakPolarHBondContact O-CB 3.18Å; A145-E148 PolarHBondContact O-N 2.64Å; H146-E148 VanDerWaalsContact C-N 3.3Å; E148-M633 WeakPolarHBondContact OE2-CE 3.34Å
149	L	93.1	Very high	79.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	-95	-9.1	178.8	-70.8	161.5	0	0	0	113.3	Y70 N79 Y81 N144 P473 D629 V632 M633	Y70-L149 HydrophobicContact CD1-CD2 3.85Å; Y70-L149 HydrophobicContact CD1-CG 4.2Å; Y70-L149 HydrophobicContact CG-CD2 4.29Å; N79-L149 HydrophobicContact CB-CD1 4.33Å; N79-L149 HydrophobicContact CB-CD2 4.39Å; Y81-L149 HydrophobicContact CD2-CD2 4.13Å; Y81-L149 HydrophobicContact CE2-CD2 3.93Å; N144-L149 VanDerWaalsContact ND2-C 3.3Å; N144-L149 PolarHBondContact ND2-O 2.67Å; L149-P473 HydrophobicContact CD2-CG 4.04Å; L149-D629 HydrophobicContact CB-CB 4.01Å; L149-D629 HydrophobicContact CD1-CB 3.81Å; L149-D629 HydrophobicContact CG-CB 4.38Å; L149-V632 HydrophobicContact CD1-CB 4.11Å; L149-V632 HydrophobicContact CD1-CG1 3.87Å; L149-M633 HydrophobicContact CB-CG 3.95Å; L149-M633 HydrophobicContact CB-SD 3.98Å; L149-M633 HydrophobicContact CD1-CG 4.06Å; L149-M633 HydrophobicContact CD1-SD 3.93Å; L149-M633 HydrophobicContact CG-CG 4.44Å; L149-M633 HydrophobicContact CG-SD 4.08Å
150	Y	89.4	Confident	78.8	Confident	23 Å²	23	60 Å²	60	9%	0.09	33%	0.329	C	S	.	.	S	Bend	trans	-125	146.4	179.7	-71.6	-78.8	0	0	0	110.4	L466 D470 S472 D629 D630 M633	Y150-L466 HydrophobicContact CD1-CD2 3.96Å; Y150-L466 HydrophobicContact CD2-CD2 4.22Å; Y150-L466 HydrophobicContact CE1-CD2 3.64Å; Y150-L466 HydrophobicContact CE2-CD2 3.92Å; Y150-L466 HydrophobicContact CG-CD2 4.25Å; Y150-D470 HydrophobicContact CD1-CB 4.15Å; Y150-D470 HydrophobicContact CE1-CB 4.37Å; Y150-S472 VanDerWaalsContact CE1-CB 3.5Å; Y150-D629 HydrophobicContact CE2-CB 4.13Å; Y150-D630 PolarHBondContact OH-OD1 3.01Å; Y150-M633 HydrophobicContact CD2-CG 4.04Å; Y150-M633 HydrophobicContact CE2-CG 4.29Å
151	S	79.3	Confident	78.3	Confident	44 Å²	44	59.8 Å²	59.8	31%	0.308	33%	0.328	S	S	.	.			trans	-75.2	135.3	171.5	177.9	0	0	0	0	110.2	N144	N144-S151 WeakPolarHBondContact OD1-CA 3.35Å; N144-S151 PolarHBondContact OD1-N 3.1Å
152	S	62.5	Low	77.8	Confident	101 Å²	101	58.4 Å²	58.4	71%	0.706	32%	0.321	S	S	*	.	S	Bend	trans	-87.4	-12	-178.4	49.3	0	0	0	0	113.7
153	Q	53.9	Low	77.5	Confident	182 Å²	182	58 Å²	58	85%	0.85	32%	0.319	S	S	*	.	S	Bend	trans	-138.9	-3.7	-163.4	-65.6	-174.2	6	0	0	116.3
154	D	60.5	Low	77.5	Confident	65 Å²	65	56.4 Å²	56.4	35%	0.348	31%	0.31	S	S	.	.			trans	-128.6	86.8	-166.3	-150.9	-13.1	0	0	0	114.2	D156 L157 R160	D154-D156 PolarHBondContact O-N 3.22Å; D154-D156 VanDerWaalsContact OD1-CB 3.25Å; D154-D156 WeakPolarHBondContact OD1-CB 3.27Å; D154-D156 PolarHBondContact OD1-N 2.85Å; D154-L157 HydrophobicContact CB-CB 4.27Å; D154-L157 HydrophobicContact CB-CD1 3.79Å; D154-L157 HydrophobicContact CB-CG 3.88Å; D154-L157 PolarHBondContact O-N 3.39Å; D154-L157 WeakPolarHBondContact OD2-CG 3.34Å; D154-R160 IonicContact OD2-NH2 3.34Å
155	A	62.7	Low	77.4	Confident	72 Å²	72	56.4 Å²	56.4	60%	0.595	31%	0.309	S	S	*	.	H	α-helix	trans	-59.4	-26.3	172.7	0	0	0	0	0	112.2	L157 S158 D159	A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 PolarHBondContact O-N 3.29Å; A155-S158 PolarHBondContact O-N 2.96Å; A155-D159 PolarHBondContact O-N 3.27Å; A155-D159 VanDerWaalsContact O-N 3.1Å
156	D	67.3	Low	77.1	Confident	85 Å²	85	54.3 Å²	54.3	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-72.2	-27.2	-179.4	-168	49.9	0	0	0	112	D154 R160	D154-D156 PolarHBondContact O-N 3.22Å; D154-D156 VanDerWaalsContact OD1-CB 3.25Å; D154-D156 WeakPolarHBondContact OD1-CB 3.27Å; D154-D156 PolarHBondContact OD1-N 2.85Å; D156-R160 WeakPolarHBondContact O-CB 3.38Å; D156-R160 VanDerWaalsContact O-CG 3.23Å; D156-R160 WeakPolarHBondContact O-CG 3.25Å; D156-R160 PolarHBondContact O-N 3.46Å; D156-R160 PolarHBondContact O-NE 3.36Å; D156-R160 IonicContact OD2-CZ 3.41Å; D156-R160 IonicContact OD2-NE 2.81Å; D156-R160 PolarHBondContact OD2-NE 2.94Å; D156-R160 VanDerWaalsContact OD2-NE 3.13Å; D156-R160 IonicContact OD2-NH2 3.57Å; D156-R160 PolarHBondContact OD2-NH2 2.95Å
157	L	70.1	Confident	77	Confident	20 Å²	20	48.9 Å²	48.9	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-68.6	-41.3	171.4	-73.4	176.2	0	0	0	111.8	D143 D154 A155 R160 F161	D143-L157 HydrophobicContact CB-CD1 3.88Å; D154-L157 HydrophobicContact CB-CB 4.27Å; D154-L157 HydrophobicContact CB-CD1 3.79Å; D154-L157 HydrophobicContact CB-CG 3.88Å; D154-L157 PolarHBondContact O-N 3.39Å; D154-L157 WeakPolarHBondContact OD2-CG 3.34Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 PolarHBondContact O-N 3.29Å; L157-R160 PolarHBondContact O-N 3.47Å; L157-F161 WeakPolarHBondContact O-CB 3.44Å; L157-F161 PolarHBondContact O-N 3.32Å
158	S	72.5	Confident	77	Confident	13 Å²	13	48.3 Å²	48.3	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-43.4	177.1	-66.1	0	0	0	0	111.5	A155 F161 V162 D470	A155-S158 PolarHBondContact O-N 2.96Å; S158-F161 WeakPolarHBondContact O-CB 3.25Å; S158-F161 PolarHBondContact O-N 2.88Å; S158-V162 WeakPolarHBondContact O-CG2 3.31Å; S158-V162 PolarHBondContact O-N 3.33Å; S158-D470 WeakPolarHBondContact CB-OD1 3.45Å; S158-D470 WeakPolarHBondContact OG-CA 3.21Å; S158-D470 PolarHBondContact OG-OD1 3.2Å
159	D	74.4	Confident	76.8	Confident	60 Å²	60	46.4 Å²	46.4	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-63.2	-44.8	176.4	-75.9	-20	0	0	0	111.6	A155 F161 V162 Q163 P590	A155-D159 PolarHBondContact O-N 3.27Å; A155-D159 VanDerWaalsContact O-N 3.1Å; D159-F161 VanDerWaalsContact C-N 3.34Å; D159-F161 PolarHBondContact O-N 3.2Å; D159-V162 PolarHBondContact O-N 3.25Å; D159-Q163 WeakPolarHBondContact O-CB 3.43Å; D159-Q163 VanDerWaalsContact O-CG 3.26Å; D159-Q163 WeakPolarHBondContact O-CG 3.33Å; D159-Q163 PolarHBondContact O-N 2.86Å; D159-P590 VanDerWaalsContact OD1-CB 3.3Å; D159-P590 WeakPolarHBondContact OD1-CB 3.08Å; D159-P590 WeakPolarHBondContact OD1-CG 3.5Å
160	R	76.6	Confident	76.6	Confident	56 Å²	56	46.5 Å²	46.5	21%	0.211	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-40	174.8	-76.7	-179.8	-81.8	172.8	-7.5	112.3	D154 D156 L157 Q163 E164 L571	D154-R160 IonicContact OD2-NH2 3.34Å; D156-R160 WeakPolarHBondContact O-CB 3.38Å; D156-R160 VanDerWaalsContact O-CG 3.23Å; D156-R160 WeakPolarHBondContact O-CG 3.25Å; D156-R160 PolarHBondContact O-N 3.46Å; D156-R160 PolarHBondContact O-NE 3.36Å; D156-R160 IonicContact OD2-CZ 3.41Å; D156-R160 IonicContact OD2-NE 2.81Å; D156-R160 PolarHBondContact OD2-NE 2.94Å; D156-R160 VanDerWaalsContact OD2-NE 3.13Å; D156-R160 IonicContact OD2-NH2 3.57Å; D156-R160 PolarHBondContact OD2-NH2 2.95Å; L157-R160 PolarHBondContact O-N 3.47Å; R160-Q163 PolarHBondContact O-N 3.06Å; R160-E164 WeakPolarHBondContact O-CB 3.47Å; R160-E164 PolarHBondContact O-N 3.41Å; R160-L571 HydrophobicContact CB-CD1 4.07Å
161	F	80.6	Confident	76.6	Confident	11 Å²	11	45.8 Å²	45.8	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-48.6	174.4	166.3	-113	0	0	0	112	L157 S158 D159 Q163 E164 Y165 A471 R475 L476 L486	L157-F161 WeakPolarHBondContact O-CB 3.44Å; L157-F161 PolarHBondContact O-N 3.32Å; S158-F161 WeakPolarHBondContact O-CB 3.25Å; S158-F161 PolarHBondContact O-N 2.88Å; D159-F161 VanDerWaalsContact C-N 3.34Å; D159-F161 PolarHBondContact O-N 3.2Å; F161-Q163 VanDerWaalsContact C-N 3.31Å; F161-Q163 PolarHBondContact O-N 3.08Å; F161-E164 PolarHBondContact O-N 3.38Å; F161-Y165 HydrophobicContact CZ-CD2 4.47Å; F161-Y165 VanDerWaalsContact O-CB 3.31Å; F161-Y165 WeakPolarHBondContact O-CB 3.29Å; F161-Y165 PolarHBondContact O-N 2.77Å; F161-A471 HydrophobicContact CB-CB 3.65Å; F161-A471 HydrophobicContact CD1-CB 3.77Å; F161-A471 HydrophobicContact CD2-CB 4.35Å; F161-A471 HydrophobicContact CG-CB 3.62Å; F161-R475 HydrophobicContact CE1-CB 4.33Å; F161-R475 HydrophobicContact CZ-CB 4.33Å; F161-L476 HydrophobicContact CD2-CD2 3.84Å; F161-L476 HydrophobicContact CE2-CD2 3.3Å; F161-L476 HydrophobicContact CZ-CD2 4.11Å; F161-L486 HydrophobicContact CE1-CD2 3.96Å; F161-L486 HydrophobicContact CZ-CD2 4.23Å
162	V	78.5	Confident	77.2	Confident	5 Å²	5	44 Å²	44	3%	0.03	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-39.4	179.4	172.4	0	0	0	0	111.3	S158 D159 S166 V588	S158-V162 WeakPolarHBondContact O-CG2 3.31Å; S158-V162 PolarHBondContact O-N 3.33Å; D159-V162 PolarHBondContact O-N 3.25Å; V162-S166 VanDerWaalsContact O-CB 3.25Å; V162-S166 WeakPolarHBondContact O-CB 3.41Å; V162-S166 PolarHBondContact O-N 2.98Å; V162-S166 PolarHBondContact O-OG 2.88Å; V162-V588 HydrophobicContact CG1-CB 3.7Å; V162-V588 HydrophobicContact CG1-CG1 3.7Å
163	Q	80.6	Confident	78.7	Confident	133 Å²	133	39.5 Å²	39.5	62%	0.621	21%	0.209	S	C	*	.	H	α-helix	trans	-62.9	-48.8	174.6	-72.9	173.4	14	0	0	111.5	D159 R160 F161 S166 S167	D159-Q163 WeakPolarHBondContact O-CB 3.43Å; D159-Q163 VanDerWaalsContact O-CG 3.26Å; D159-Q163 WeakPolarHBondContact O-CG 3.33Å; D159-Q163 PolarHBondContact O-N 2.86Å; R160-Q163 PolarHBondContact O-N 3.06Å; F161-Q163 VanDerWaalsContact C-N 3.31Å; F161-Q163 PolarHBondContact O-N 3.08Å; Q163-S166 PolarHBondContact O-N 2.7Å; Q163-S167 PolarHBondContact O-N 3.22Å
164	E	84	Confident	80.5	Confident	10 Å²	10	31 Å²	31	5%	0.047	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-51.1	179.7	-176.9	59.8	-160.7	0	0	110.6	L136 R160 F161 S166 S167 M168 L571 Y573 R581	L136-E164 HydrophobicContact CD1-CG 4Å; L136-E164 HydrophobicContact CD2-CG 4.08Å; R160-E164 WeakPolarHBondContact O-CB 3.47Å; R160-E164 PolarHBondContact O-N 3.41Å; F161-E164 PolarHBondContact O-N 3.38Å; E164-S166 VanDerWaalsContact C-N 3.3Å; E164-S166 PolarHBondContact O-N 2.83Å; E164-S167 PolarHBondContact O-N 2.88Å; E164-S167 PolarHBondContact O-OG 3.02Å; E164-M168 HydrophobicContact CG-SD 4.5Å; E164-M168 WeakPolarHBondContact O-CG 3.33Å; E164-M168 PolarHBondContact O-N 2.88Å; E164-M168 VanDerWaalsContact O-N 3.11Å; E164-L571 HydrophobicContact CB-CD1 3.93Å; E164-L571 HydrophobicContact CG-CD1 4.25Å; E164-Y573 VanDerWaalsContact OE1-CE2 3.27Å; E164-Y573 WeakPolarHBondContact OE1-CE2 3.46Å; E164-Y573 PolarHBondContact OE1-OH 3.37Å; E164-R581 IonicContact OE1-CZ 3.4Å; E164-R581 IonicContact OE1-NH1 2.79Å; E164-R581 PolarHBondContact OE1-NH1 2.79Å; E164-R581 IonicContact OE1-NH2 4Å; E164-R581 PolarHBondContact OE1-NH2 2.86Å; E164-R581 IonicContact OE2-CZ 2.99Å; E164-R581 IonicContact OE2-NH1 3.77Å; E164-R581 PolarHBondContact OE2-NH1 3.47Å; E164-R581 VanDerWaalsContact OE2-NH1 3.08Å; E164-R581 IonicContact OE2-NH2 3.74Å; E164-R581 PolarHBondContact OE2-NH2 2.99Å
165	Y	84.1	Confident	82	Confident	10 Å²	10	27.9 Å²	27.9	4%	0.039	15%	0.152	C	C	.	.	H	α-helix	trans	-52.4	-46.2	175	175.1	-84.5	0	0	0	112.6	F161 S167 M168 K170 T478 L479 L486	F161-Y165 HydrophobicContact CZ-CD2 4.47Å; F161-Y165 VanDerWaalsContact O-CB 3.31Å; F161-Y165 WeakPolarHBondContact O-CB 3.29Å; F161-Y165 PolarHBondContact O-N 2.77Å; Y165-S167 PolarHBondContact O-N 2.59Å; Y165-M168 PolarHBondContact O-N 3.28Å; Y165-K170 VanDerWaalsContact CE1-CE 3.49Å; Y165-K170 WeakPolarHBondContact O-CE 3.09Å; Y165-K170 PolarHBondContact O-NZ 2.96Å; Y165-T478 WeakPolarHBondContact CE2-OG1 3.38Å; Y165-T478 PolarHBondContact OH-O 2.92Å; Y165-L479 HydrophobicContact CD2-CD1 3.8Å; Y165-L479 HydrophobicContact CE2-CB 4.04Å; Y165-L479 HydrophobicContact CE2-CD1 3.63Å; Y165-L479 HydrophobicContact CE2-CG 4.49Å; Y165-L486 HydrophobicContact CD1-CB 4.05Å; Y165-L486 HydrophobicContact CD1-CD2 3.51Å; Y165-L486 HydrophobicContact CD1-CG 4.35Å; Y165-L486 HydrophobicContact CD2-CB 4.39Å; Y165-L486 HydrophobicContact CD2-CD2 3.99Å; Y165-L486 HydrophobicContact CE1-CB 3.5Å; Y165-L486 HydrophobicContact CE1-CD2 3.91Å; Y165-L486 HydrophobicContact CE1-CG 4.27Å; Y165-L486 HydrophobicContact CE2-CB 3.87Å; Y165-L486 HydrophobicContact CE2-CD2 4.32Å; Y165-L486 HydrophobicContact CG-CB 4.48Å; Y165-L486 HydrophobicContact CG-CD2 3.57Å; Y165-L486 PolarHBondContact OH-N 3.05Å
166	S	80.9	Confident	83.5	Confident	12 Å²	12	27.9 Å²	27.9	8%	0.084	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-31.8	-178.9	-67.6	0	0	0	0	112	V162 Q163 E164	V162-S166 VanDerWaalsContact O-CB 3.25Å; V162-S166 WeakPolarHBondContact O-CB 3.41Å; V162-S166 PolarHBondContact O-N 2.98Å; V162-S166 PolarHBondContact O-OG 2.88Å; Q163-S166 PolarHBondContact O-N 2.7Å; E164-S166 VanDerWaalsContact C-N 3.3Å; E164-S166 PolarHBondContact O-N 2.83Å
167	S	85.1	Confident	84.9	Confident	24 Å²	24	23.9 Å²	23.9	17%	0.168	12%	0.116	C	C	.	.	H	α-helix	trans	-88.4	-16.8	179.9	76.1	0	0	0	0	115	Q163 E164 Y165 R581 S582	Q163-S167 PolarHBondContact O-N 3.22Å; E164-S167 PolarHBondContact O-N 2.88Å; E164-S167 PolarHBondContact O-OG 3.02Å; Y165-S167 PolarHBondContact O-N 2.59Å; S167-R581 CarbonylContact O-C 3.56Å; S167-R581 WeakPolarHBondContact O-CA 3.43Å; S167-R581 PolarHBondContact OG-NH1 3.49Å; S167-S582 PolarHBondContact O-N 3.3Å
168	M	87.9	Confident	86	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-71.6	138.4	-178.9	-72.1	179.7	81.4	0	0	112.1	A132 L133 L136 E164 Y165 K170 L479	A132-M168 HydrophobicContact CB-CE 3.58Å; L133-M168 HydrophobicContact CD2-CE 3.97Å; L133-M168 HydrophobicContact CD2-SD 4.2Å; L133-M168 HydrophobicContact CG-CE 4.29Å; L136-M168 HydrophobicContact CD1-SD 4.19Å; E164-M168 HydrophobicContact CG-SD 4.5Å; E164-M168 WeakPolarHBondContact O-CG 3.33Å; E164-M168 PolarHBondContact O-N 2.88Å; E164-M168 VanDerWaalsContact O-N 3.11Å; Y165-M168 PolarHBondContact O-N 3.28Å; M168-K170 WeakPolarHBondContact O-CG 3.43Å; M168-K170 PolarHBondContact O-NZ 2.91Å; M168-L479 HydrophobicContact CB-CD1 3.98Å; M168-L479 HydrophobicContact CB-CD2 4.4Å; M168-L479 HydrophobicContact CE-CD2 3.64Å; M168-L479 HydrophobicContact SD-CD1 4.5Å; M168-L479 HydrophobicContact SD-CD2 4.12Å
169	H	89.3	Confident	86.9	Confident	48 Å²	48	22.7 Å²	22.7	22%	0.222	11%	0.109	C	C	.	.			trans	-68.3	125	172.7	176.3	68.5	0	0	0	112.4	Q129 C172 E236 L580	Q129-H169 PolarHBondContact NE2-O 2.92Å; H169-C172 PolarHBondContact NE2-N 2.96Å; H169-E236 IonicContact CE1-OE2 3.13Å; H169-E236 IonicContact ND1-OE2 3.08Å; H169-E236 PolarHBondContact ND1-OE2 3.3Å; H169-L580 HydrophobicContact CB-CB 3.73Å; H169-L580 WeakPolarHBondContact CB-O 3.45Å; H169-L580 PolarHBondContact N-O 3.47Å
170	K	88.3	Confident	87.8	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.009	10%	0.095	C	C	.	.			trans	-109.4	-29.4	-171.7	-49	-179.1	178.9	58.6	0	112.8	Y165 M168 C172 F173 Y174 E236 L479	Y165-K170 VanDerWaalsContact CE1-CE 3.49Å; Y165-K170 WeakPolarHBondContact O-CE 3.09Å; Y165-K170 PolarHBondContact O-NZ 2.96Å; M168-K170 WeakPolarHBondContact O-CG 3.43Å; M168-K170 PolarHBondContact O-NZ 2.91Å; K170-C172 PolarHBondContact O-N 2.79Å; K170-F173 PolarHBondContact O-N 3.11Å; K170-Y174 HydrophobicContact CB-CD2 4.46Å; K170-Y174 HydrophobicContact CB-CE2 4.12Å; K170-Y174 VanDerWaalsContact O-CD2 3.27Å; K170-Y174 WeakPolarHBondContact O-CD2 3.33Å; K170-E236 HydrophobicContact CB-CB 4.35Å; K170-E236 HydrophobicContact CB-CG 3.98Å; K170-E236 HydrophobicContact CG-CG 4.36Å; K170-E236 VanDerWaalsContact N-CD 3.28Å; K170-E236 PolarHBondContact N-OE1 3.11Å; K170-E236 PolarHBondContact N-OE2 3.34Å; K170-L479 HydrophobicContact CD-CD1 4.03Å; K170-L479 HydrophobicContact CG-CD1 3.71Å; K170-L479 HydrophobicContact CG-CG 4.36Å
171	A	89.3	Confident	88.5	Confident	8 Å²	8	18 Å²	18	7%	0.066	9%	0.087	C	C	.	.	H	α-helix	trans	-54.3	-31	-172.6	0	0	0	0	0	114.2	F173 Y174 G175 G232 E236	A171-F173 PolarHBondContact O-N 3.17Å; A171-Y174 PolarHBondContact O-N 3.23Å; A171-G175 PolarHBondContact O-N 3.11Å; A171-G175 VanDerWaalsContact O-N 3.11Å; A171-G232 WeakPolarHBondContact CB-O 3.48Å; A171-E236 HydrophobicContact CB-CB 4.32Å; A171-E236 VanDerWaalsContact CB-OE2 3.31Å; A171-E236 WeakPolarHBondContact CB-OE2 3.32Å; A171-E236 PolarHBondContact N-OE2 2.88Å
172	C	91.4	Very high	89	Confident	7 Å²	7	17.8 Å²	17.8	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-54.6	-24.4	177.2	68.6	0	0	0	0	114.3	H169 K170 C177	H169-C172 PolarHBondContact NE2-N 2.96Å; K170-C172 PolarHBondContact O-N 2.79Å; C172-C177 VanDerWaalsContact O-CB 3.27Å; C172-C177 WeakPolarHBondContact O-CB 3.45Å; C172-C177 PolarHBondContact O-SG 3.44Å; C172-C177 VanDerWaalsContact O-SG 3.38Å
173	F	94.2	Very high	89.2	Confident	6 Å²	6	18.3 Å²	18.3	3%	0.026	9%	0.09	C	C	.	.	H	α-helix	trans	-89.8	-23.9	176.8	-61.7	-67.4	0	0	0	114	A126 Q129 L130 K170 A171 C177 L178 F180 L479 I480	A126-F173 HydrophobicContact CB-CD1 4.08Å; A126-F173 HydrophobicContact CB-CE1 3.76Å; Q129-F173 HydrophobicContact CB-CE2 3.64Å; Q129-F173 HydrophobicContact CB-CZ 3.55Å; Q129-F173 HydrophobicContact CG-CE2 4.24Å; L130-F173 HydrophobicContact CD2-CE1 4.3Å; L130-F173 HydrophobicContact CD2-CZ 4.39Å; L130-F173 HydrophobicContact CG-CE1 4.14Å; L130-F173 HydrophobicContact CG-CZ 4.25Å; K170-F173 PolarHBondContact O-N 3.11Å; A171-F173 PolarHBondContact O-N 3.17Å; F173-C177 CarbonylContact O-C 3.54Å; F173-L178 WeakPolarHBondContact O-CA 3.48Å; F173-L178 PolarHBondContact O-N 3.38Å; F173-L178 VanDerWaalsContact O-N 3.16Å; F173-F180 HydrophobicContact CD1-CE1 4.08Å; F173-F180 HydrophobicContact CE1-CE1 4.36Å; F173-L479 HydrophobicContact CE2-CD2 3.84Å; F173-L479 HydrophobicContact CE2-CG 4.29Å; F173-I480 HydrophobicContact CB-CG2 4.28Å; F173-I480 HydrophobicContact CD1-CB 4.35Å; F173-I480 HydrophobicContact CD1-CG2 3.49Å; F173-I480 VanDerWaalsContact CD1-CG2 3.49Å; F173-I480 HydrophobicContact CD2-CG2 3.53Å; F173-I480 HydrophobicContact CE1-CG2 3.49Å; F173-I480 VanDerWaalsContact CE1-CG2 3.49Å; F173-I480 HydrophobicContact CE2-CG2 3.53Å; F173-I480 HydrophobicContact CG-CB 4.27Å; F173-I480 HydrophobicContact CG-CG2 3.49Å; F173-I480 VanDerWaalsContact CG-CG2 3.49Å; F173-I480 HydrophobicContact CZ-CG2 3.49Å; F173-I480 VanDerWaalsContact CZ-CG2 3.49Å
174	Y	92.9	Very high	89.5	Confident	3 Å²	3	16.4 Å²	16.4	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-103.2	-5.2	-172.1	-57.3	-75.9	0	0	0	113.5	K170 A171 L178 R231 F235 L479 D481 P482	K170-Y174 HydrophobicContact CB-CD2 4.46Å; K170-Y174 HydrophobicContact CB-CE2 4.12Å; K170-Y174 VanDerWaalsContact O-CD2 3.27Å; K170-Y174 WeakPolarHBondContact O-CD2 3.33Å; A171-Y174 PolarHBondContact O-N 3.23Å; Y174-L178 HydrophobicContact CD1-CD1 4.09Å; Y174-R231 PolarHBondContact O-NE 3.42Å; Y174-R231 VanDerWaalsContact O-NE 3.08Å; Y174-F235 AromaticContact CD1-CD1 3.6Å; Y174-F235 HydrophobicContact CD1-CD1 3.6Å; Y174-F235 HydrophobicContact CD1-CD2 4.35Å; Y174-F235 AromaticContact CD1-CE1 3.37Å; Y174-F235 HydrophobicContact CD1-CE1 3.37Å; Y174-F235 HydrophobicContact CD1-CE2 4.09Å; Y174-F235 HydrophobicContact CD1-CG 4.11Å; Y174-F235 AromaticContact CD1-CZ 3.62Å; Y174-F235 HydrophobicContact CD1-CZ 3.62Å; Y174-F235 AromaticContact CD2-CD1 3.42Å; Y174-F235 HydrophobicContact CD2-CD1 3.42Å; Y174-F235 VanDerWaalsContact CD2-CD1 3.42Å; Y174-F235 AromaticContact CD2-CE1 3.63Å; Y174-F235 HydrophobicContact CD2-CE1 3.63Å; Y174-F235 HydrophobicContact CD2-CG 4.36Å; Y174-F235 AromaticContact CE1-CD1 3.96Å; Y174-F235 HydrophobicContact CE1-CD1 3.96Å; Y174-F235 AromaticContact CE1-CE1 3.25Å; Y174-F235 HydrophobicContact CE1-CE1 3.25Å; Y174-F235 HydrophobicContact CE1-CE2 4.31Å; Y174-F235 AromaticContact CE1-CZ 3.45Å; Y174-F235 HydrophobicContact CE1-CZ 3.45Å; Y174-F235 VanDerWaalsContact CE1-CZ 3.45Å; Y174-F235 AromaticContact CE2-CD1 3.78Å; Y174-F235 HydrophobicContact CE2-CD1 3.78Å; Y174-F235 AromaticContact CE2-CE1 3.51Å; Y174-F235 HydrophobicContact CE2-CE1 3.51Å; Y174-F235 HydrophobicContact CG-CB 4.47Å; Y174-F235 AromaticContact CG-CD1 3.31Å; Y174-F235 HydrophobicContact CG-CD1 3.31Å; Y174-F235 AromaticContact CG-CE1 3.55Å; Y174-F235 HydrophobicContact CG-CE1 3.55Å; Y174-F235 AromaticContact CG-CG 3.87Å; Y174-F235 HydrophobicContact CG-CG 3.87Å; Y174-F235 HydrophobicContact CG-CZ 4.23Å; Y174-F235 AromaticContact CZ-CE1 3.29Å; Y174-F235 AromaticContact CZ-CZ 3.91Å; Y174-L479 PolarHBondContact OH-O 2.85Å; Y174-D481 PolarHBondContact OH-N 2.59Å; Y174-D481 PolarHBondContact OH-O 2.85Å; Y174-P482 HydrophobicContact CE1-CB 4.11Å
175	G	92.3	Very high	89.5	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-122.2	167.9	0	0	0	0	0	113.1	A171 C177 L178 P228 R231	A171-G175 PolarHBondContact O-N 3.11Å; A171-G175 VanDerWaalsContact O-N 3.11Å; G175-C177 PolarHBondContact O-N 3.37Å; G175-L178 WeakPolarHBondContact O-CB 3.25Å; G175-L178 PolarHBondContact O-N 2.89Å; G175-P228 WeakPolarHBondContact CA-O 3.46Å; G175-R231 PolarHBondContact O-NH2 2.98Å
176	R	94.1	Very high	89.5	Confident	71 Å²	71	17.8 Å²	17.8	27%	0.268	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.7	-177.9	-68	178.5	-172.8	-76.9	-8.7	114	A122 L178 P228 E229	A122-R176 HydrophobicContact CB-CB 3.96Å; A122-R176 HydrophobicContact CB-CG 4.46Å; R176-L178 PolarHBondContact O-N 3.22Å; R176-P228 HydrophobicContact CG-CB 3.8Å; R176-P228 HydrophobicContact CG-CG 4.15Å; R176-E229 WeakPolarHBondContact CD-OE1 3.33Å; R176-E229 VanDerWaalsContact CG-OE1 3.3Å; R176-E229 WeakPolarHBondContact CG-OE1 3.35Å; R176-E229 IonicContact CZ-OE1 3.8Å; R176-E229 IonicContact NE-OE1 3.19Å; R176-E229 PolarHBondContact NE-OE1 2.79Å
177	C	95.2	Very high	89.8	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.007	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.2	-179.1	-56.4	0	0	0	0	113	Y123 C172 F173 G175 G179 F180	Y123-C177 HydrophobicContact CE2-CB 4.46Å; C172-C177 VanDerWaalsContact O-CB 3.27Å; C172-C177 WeakPolarHBondContact O-CB 3.45Å; C172-C177 PolarHBondContact O-SG 3.44Å; C172-C177 VanDerWaalsContact O-SG 3.38Å; F173-C177 CarbonylContact O-C 3.54Å; G175-C177 PolarHBondContact O-N 3.37Å; C177-G179 PolarHBondContact O-N 2.67Å; C177-F180 HydrophobicContact CB-CD1 4.2Å; C177-F180 WeakPolarHBondContact O-CB 3.21Å; C177-F180 VanDerWaalsContact O-CD1 3.25Å; C177-F180 WeakPolarHBondContact O-CD1 3.3Å; C177-F180 PolarHBondContact O-N 3.41Å
178	L	94.2	Very high	89.8	Confident	7 Å²	7	23.2 Å²	23.2	4%	0.037	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	116.3	-171.8	179.6	55.1	0	0	0	113.1	F173 Y174 G175 R176 F180 Q191 V194 P482	F173-L178 WeakPolarHBondContact O-CA 3.48Å; F173-L178 PolarHBondContact O-N 3.38Å; F173-L178 VanDerWaalsContact O-N 3.16Å; Y174-L178 HydrophobicContact CD1-CD1 4.09Å; G175-L178 WeakPolarHBondContact O-CB 3.25Å; G175-L178 PolarHBondContact O-N 2.89Å; R176-L178 PolarHBondContact O-N 3.22Å; L178-F180 VanDerWaalsContact C-N 3.35Å; L178-Q191 HydrophobicContact CD2-CB 4.37Å; L178-Q191 HydrophobicContact CD2-CG 3.75Å; L178-Q191 HydrophobicContact CG-CG 4.21Å; L178-V194 HydrophobicContact CD1-CG2 3.96Å; L178-V194 HydrophobicContact CD2-CB 3.78Å; L178-V194 HydrophobicContact CD2-CG1 3.91Å; L178-V194 HydrophobicContact CD2-CG2 3.71Å; L178-P482 HydrophobicContact CD1-CB 4.35Å
179	G	91.4	Very high	89.5	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.01	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	21.9	175.3	0	0	0	0	0	114.7	C177 Q181 F182 R187	C177-G179 PolarHBondContact O-N 2.67Å; G179-Q181 PolarHBondContact O-N 2.75Å; G179-Q181 VanDerWaalsContact O-N 3.16Å; G179-F182 PolarHBondContact O-N 2.82Å; G179-F182 VanDerWaalsContact O-N 3.1Å; G179-R187 WeakPolarHBondContact O-CG 3.4Å; G179-R187 PolarHBondContact O-NE 3.26Å; G179-R187 VanDerWaalsContact O-NE 3.1Å
180	F	93.2	Very high	89.2	Confident	7 Å²	7	23.1 Å²	23.1	3%	0.031	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.7	178.1	79.8	-89.2	0	0	0	112.7	V87 C91 Y123 L130 F173 C177 L178 R187	V87-F180 HydrophobicContact CG1-CE2 4.1Å; V87-F180 HydrophobicContact CG1-CZ 3.65Å; V87-F180 WeakPolarHBondContact O-CE2 3.21Å; C91-F180 HydrophobicContact CB-CD2 4.3Å; C91-F180 HydrophobicContact CB-CE2 3.62Å; C91-F180 HydrophobicContact CB-CZ 4.09Å; Y123-F180 HydrophobicContact CE1-CB 4.24Å; Y123-F180 HydrophobicContact CE1-CG 4.32Å; Y123-F180 VanDerWaalsContact OH-CB 3.26Å; Y123-F180 WeakPolarHBondContact OH-CB 3.49Å; L130-F180 HydrophobicContact CD1-CZ 4.13Å; F173-F180 HydrophobicContact CD1-CE1 4.08Å; F173-F180 HydrophobicContact CE1-CE1 4.36Å; C177-F180 HydrophobicContact CB-CD1 4.2Å; C177-F180 WeakPolarHBondContact O-CB 3.21Å; C177-F180 VanDerWaalsContact O-CD1 3.25Å; C177-F180 WeakPolarHBondContact O-CD1 3.3Å; C177-F180 PolarHBondContact O-N 3.41Å; L178-F180 VanDerWaalsContact C-N 3.35Å; F180-R187 PolarHBondContact O-NH2 2.93Å
181	Q	91.9	Very high	89.1	Confident	11 Å²	11	26.4 Å²	26.4	5%	0.051	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.1	-179.6	72.2	-84.7	32.4	0	0	114.5	V87 G179 I480 L624	V87-Q181 HydrophobicContact CG1-CB 4.42Å; V87-Q181 HydrophobicContact CG2-CB 4.2Å; G179-Q181 PolarHBondContact O-N 2.75Å; G179-Q181 VanDerWaalsContact O-N 3.16Å; Q181-I480 PolarHBondContact NE2-O 3.45Å; Q181-L624 HydrophobicContact CB-CD1 4.29Å; Q181-L624 HydrophobicContact CB-CD2 4.27Å; Q181-L624 HydrophobicContact CG-CD1 3.95Å; Q181-L624 HydrophobicContact CG-CD2 4.1Å; Q181-L624 VanDerWaalsContact O-CD1 3.28Å; Q181-L624 WeakPolarHBondContact O-CD1 3.27Å
182	F	90.6	Very high	88.8	Confident	7 Å²	7	29.5 Å²	29.5	3%	0.031	16%	0.162	C	C	.	.	S	Bend	trans	-94.3	165.5	-179.1	-58.6	-72.1	0	0	0	111.9	G179 L186 L190 P482 L624 P654	G179-F182 PolarHBondContact O-N 2.82Å; G179-F182 VanDerWaalsContact O-N 3.1Å; F182-L186 HydrophobicContact CB-CB 4.36Å; F182-L186 HydrophobicContact CB-CD1 4.41Å; F182-L190 HydrophobicContact CB-CD1 4.22Å; F182-L190 HydrophobicContact CD2-CD1 3.22Å; F182-L190 HydrophobicContact CE2-CD1 3.68Å; F182-L190 HydrophobicContact CG-CD1 3.82Å; F182-P482 HydrophobicContact CE2-CG 4.08Å; F182-L624 HydrophobicContact CD1-CB 4.43Å; F182-L624 HydrophobicContact CD1-CD1 3.48Å; F182-L624 VanDerWaalsContact CD1-CD1 3.48Å; F182-L624 HydrophobicContact CE1-CB 3.74Å; F182-L624 HydrophobicContact CE1-CD1 3.6Å; F182-L624 HydrophobicContact CE1-CG 4.32Å; F182-L624 HydrophobicContact CG-CD1 4.32Å; F182-L624 HydrophobicContact CZ-CB 4.48Å; F182-P654 HydrophobicContact CD1-CB 4.26Å; F182-P654 HydrophobicContact CE1-CB 3.54Å; F182-P654 HydrophobicContact CE1-CG 4.29Å; F182-P654 HydrophobicContact CZ-CB 3.85Å
183	S	82.6	Confident	88.3	Confident	16 Å²	16	31 Å²	31	11%	0.112	17%	0.168	C	C	.	.			trans	-50.4	137.2	169.9	173.9	0	0	0	0	110.8	A185 L186 E666	S183-A185 PolarHBondContact O-N 3.08Å; S183-A185 PolarHBondContact OG-N 3.24Å; S183-L186 PolarHBondContact O-N 2.88Å; S183-E666 PolarHBondContact OG-OE1 2.95Å
184	P	86.1	Confident	87.8	Confident	93 Å²	93	30.7 Å²	30.7	60%	0.604	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-29	176.8	-28.6	35.7	0	0	0	114.2	L186 R187 P188	P184-L186 VanDerWaalsContact C-N 3.29Å; P184-L186 PolarHBondContact O-N 3.37Å; P184-R187 PolarHBondContact O-N 3.34Å; P184-P188 WeakPolarHBondContact O-CD 3.43Å
185	A	85.1	Confident	87.4	Confident	48 Å²	48	31.5 Å²	31.5	40%	0.397	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.3	178	0	0	0	0	0	113.4	S183 C664	S183-A185 PolarHBondContact O-N 3.08Å; S183-A185 PolarHBondContact OG-N 3.24Å; A185-C664 HydrophobicContact CB-CB 3.81Å
186	L	83.4	Confident	86.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-22.2	-179.7	-69.9	175.2	0	0	0	113.2	F182 S183 P184 F189 L190 L653 L660 T667	F182-L186 HydrophobicContact CB-CB 4.36Å; F182-L186 HydrophobicContact CB-CD1 4.41Å; S183-L186 PolarHBondContact O-N 2.88Å; P184-L186 VanDerWaalsContact C-N 3.29Å; P184-L186 PolarHBondContact O-N 3.37Å; L186-F189 WeakPolarHBondContact O-CB 3.43Å; L186-F189 PolarHBondContact O-N 3.37Å; L186-F189 VanDerWaalsContact O-N 3.14Å; L186-L190 HydrophobicContact CB-CD1 4.39Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 2.93Å; L186-L653 HydrophobicContact CD1-CD2 3.71Å; L186-L660 HydrophobicContact CD2-CD1 4.31Å; L186-T667 HydrophobicContact CD1-CG2 4.47Å; L186-T667 HydrophobicContact CD2-CG2 3.98Å
187	R	87.3	Confident	86.2	Confident	75 Å²	75	29.7 Å²	29.7	28%	0.283	17%	0.17	S	C	.	.	H	α-helix	trans	-57.3	-44.6	-174.2	-62.5	-177.6	-174	176.2	0.1	113.8	G179 F180 P184 F189 L190 Q191	G179-R187 WeakPolarHBondContact O-CG 3.4Å; G179-R187 PolarHBondContact O-NE 3.26Å; G179-R187 VanDerWaalsContact O-NE 3.1Å; F180-R187 PolarHBondContact O-NH2 2.93Å; P184-R187 PolarHBondContact O-N 3.34Å; R187-F189 VanDerWaalsContact C-N 3.3Å; R187-F189 PolarHBondContact O-N 2.99Å; R187-L190 PolarHBondContact O-N 3.4Å; R187-Q191 WeakPolarHBondContact O-CB 3.27Å; R187-Q191 VanDerWaalsContact O-CG 3.26Å; R187-Q191 WeakPolarHBondContact O-CG 3.33Å; R187-Q191 PolarHBondContact O-N 2.81Å
188	P	84.4	Confident	85.6	Confident	75 Å²	75	29.7 Å²	29.7	49%	0.487	17%	0.169	S	C	.	.	H	α-helix	trans	-61.1	-40.6	177.7	-23.2	34.8	0	0	0	112.2	P184 Q191 T192	P184-P188 WeakPolarHBondContact O-CD 3.43Å; P188-Q191 WeakPolarHBondContact O-CB 3.42Å; P188-Q191 PolarHBondContact O-N 3.02Å; P188-T192 PolarHBondContact O-N 3.5Å; P188-T192 PolarHBondContact O-OG1 2.91Å; P188-T192 VanDerWaalsContact O-OG1 3.06Å
189	F	82.2	Confident	85	Confident	48 Å²	48	29.4 Å²	29.4	21%	0.211	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-46.7	178.4	173.7	-99.5	0	0	0	112.1	L186 R187 Q191 T192 I193 L660 I663	L186-F189 WeakPolarHBondContact O-CB 3.43Å; L186-F189 PolarHBondContact O-N 3.37Å; L186-F189 VanDerWaalsContact O-N 3.14Å; R187-F189 VanDerWaalsContact C-N 3.3Å; R187-F189 PolarHBondContact O-N 2.99Å; F189-Q191 VanDerWaalsContact C-N 3.28Å; F189-Q191 PolarHBondContact O-N 3.18Å; F189-T192 WeakPolarHBondContact O-CB 3.35Å; F189-T192 PolarHBondContact O-N 3.45Å; F189-T192 VanDerWaalsContact O-N 3.11Å; F189-I193 HydrophobicContact CD1-CD1 4.06Å; F189-I193 HydrophobicContact CE1-CD1 3.23Å; F189-I193 HydrophobicContact CE1-CG1 4.09Å; F189-I193 HydrophobicContact CE2-CD1 4.23Å; F189-I193 HydrophobicContact CE2-CG1 4.41Å; F189-I193 HydrophobicContact CZ-CD1 3.36Å; F189-I193 HydrophobicContact CZ-CG1 4Å; F189-I193 PolarHBondContact O-N 2.91Å; F189-L660 HydrophobicContact CD1-CD1 4.23Å; F189-L660 HydrophobicContact CD1-CD2 4.11Å; F189-L660 HydrophobicContact CE1-CD1 3.85Å; F189-L660 HydrophobicContact CE1-CD2 3.18Å; F189-L660 HydrophobicContact CE1-CG 4.15Å; F189-L660 HydrophobicContact CE2-CD2 4.28Å; F189-L660 HydrophobicContact CZ-CD2 3.26Å; F189-I663 HydrophobicContact CB-CG2 4.43Å; F189-I663 HydrophobicContact CD1-CD1 4.11Å; F189-I663 HydrophobicContact CD2-CD1 3.46Å; F189-I663 VanDerWaalsContact CD2-CD1 3.46Å; F189-I663 HydrophobicContact CE1-CD1 4.12Å; F189-I663 HydrophobicContact CE2-CD1 3.45Å; F189-I663 VanDerWaalsContact CE2-CD1 3.45Å; F189-I663 HydrophobicContact CG-CD1 3.77Å; F189-I663 HydrophobicContact CZ-CD1 3.78Å
190	L	83.9	Confident	84.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-38.4	175.9	-66	174.5	0	0	0	111.6	F182 L186 R187 I193 V194 P482 L483	F182-L190 HydrophobicContact CB-CD1 4.22Å; F182-L190 HydrophobicContact CD2-CD1 3.22Å; F182-L190 HydrophobicContact CE2-CD1 3.68Å; F182-L190 HydrophobicContact CG-CD1 3.82Å; L186-L190 HydrophobicContact CB-CD1 4.39Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 2.93Å; R187-L190 PolarHBondContact O-N 3.4Å; L190-I193 PolarHBondContact O-N 2.95Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.36Å; L190-P482 HydrophobicContact CD1-CG 4.38Å; L190-P482 HydrophobicContact CD2-CG 3.9Å; L190-L483 HydrophobicContact CD2-CD1 4.41Å; L190-L483 HydrophobicContact CD2-CD2 4.31Å; L190-L483 HydrophobicContact CD2-CG 4.36Å
191	Q	86.1	Confident	83.6	Confident	71 Å²	71	31.6 Å²	31.6	33%	0.332	18%	0.177	S	C	.	.	H	α-helix	trans	-60.4	-45.3	172.2	-76.8	174.8	-3	0	0	111.7	L178 R187 P188 F189 I193 V194 I195	L178-Q191 HydrophobicContact CD2-CB 4.37Å; L178-Q191 HydrophobicContact CD2-CG 3.75Å; L178-Q191 HydrophobicContact CG-CG 4.21Å; R187-Q191 WeakPolarHBondContact O-CB 3.27Å; R187-Q191 VanDerWaalsContact O-CG 3.26Å; R187-Q191 WeakPolarHBondContact O-CG 3.33Å; R187-Q191 PolarHBondContact O-N 2.81Å; P188-Q191 WeakPolarHBondContact O-CB 3.42Å; P188-Q191 PolarHBondContact O-N 3.02Å; F189-Q191 VanDerWaalsContact C-N 3.28Å; F189-Q191 PolarHBondContact O-N 3.18Å; Q191-I193 PolarHBondContact O-N 2.67Å; Q191-V194 PolarHBondContact O-N 3.46Å; Q191-I195 WeakPolarHBondContact O-CB 3.42Å; Q191-I195 WeakPolarHBondContact O-CD1 3.44Å; Q191-I195 WeakPolarHBondContact O-CG1 3.34Å; Q191-I195 PolarHBondContact O-N 2.99Å
192	T	83.1	Confident	82.8	Confident	73 Å²	73	33.4 Å²	33.4	45%	0.448	19%	0.185	S	C	.	.	H	α-helix	trans	-57.9	-48.7	175.3	-59.2	0	0	0	0	111.2	P188 F189 V194 I195 S196	P188-T192 PolarHBondContact O-N 3.5Å; P188-T192 PolarHBondContact O-OG1 2.91Å; P188-T192 VanDerWaalsContact O-OG1 3.06Å; F189-T192 WeakPolarHBondContact O-CB 3.35Å; F189-T192 PolarHBondContact O-N 3.45Å; F189-T192 VanDerWaalsContact O-N 3.11Å; T192-V194 PolarHBondContact O-N 2.9Å; T192-I195 PolarHBondContact O-N 3.19Å; T192-S196 VanDerWaalsContact O-CB 3.31Å; T192-S196 WeakPolarHBondContact O-CB 3Å; T192-S196 PolarHBondContact O-N 3.31Å; T192-S196 PolarHBondContact O-OG 3.35Å
193	I	80.5	Confident	81.8	Confident	37 Å²	37	35.3 Å²	35.3	19%	0.19	20%	0.198	C	C	.	.	H	α-helix	trans	-57.2	-51.3	177.6	-71.7	-178.1	0	0	0	111.2	F189 L190 Q191 I195 S196 M197 L483	F189-I193 HydrophobicContact CD1-CD1 4.06Å; F189-I193 HydrophobicContact CE1-CD1 3.23Å; F189-I193 HydrophobicContact CE1-CG1 4.09Å; F189-I193 HydrophobicContact CE2-CD1 4.23Å; F189-I193 HydrophobicContact CE2-CG1 4.41Å; F189-I193 HydrophobicContact CZ-CD1 3.36Å; F189-I193 HydrophobicContact CZ-CG1 4Å; F189-I193 PolarHBondContact O-N 2.91Å; L190-I193 PolarHBondContact O-N 2.95Å; Q191-I193 PolarHBondContact O-N 2.67Å; I193-I195 VanDerWaalsContact C-N 3.34Å; I193-I195 PolarHBondContact O-N 3.44Å; I193-S196 PolarHBondContact O-N 2.7Å; I193-M197 WeakPolarHBondContact O-CB 3.42Å; I193-M197 PolarHBondContact O-N 2.89Å; I193-L483 HydrophobicContact CD1-CD2 3.73Å; I193-L483 HydrophobicContact CG2-CD2 4.12Å
194	V	84.1	Confident	81	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-45.2	-178.2	166.7	0	0	0	0	111	L178 L190 Q191 T192 M197 V198 R231 F235 P482	L178-V194 HydrophobicContact CD1-CG2 3.96Å; L178-V194 HydrophobicContact CD2-CB 3.78Å; L178-V194 HydrophobicContact CD2-CG1 3.91Å; L178-V194 HydrophobicContact CD2-CG2 3.71Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.36Å; Q191-V194 PolarHBondContact O-N 3.46Å; T192-V194 PolarHBondContact O-N 2.9Å; V194-M197 PolarHBondContact O-N 3.39Å; V194-V198 HydrophobicContact CG1-CG2 4.49Å; V194-V198 VanDerWaalsContact O-CB 3.31Å; V194-V198 WeakPolarHBondContact O-CB 3.46Å; V194-V198 VanDerWaalsContact O-CG2 3.27Å; V194-V198 WeakPolarHBondContact O-CG2 3.24Å; V194-V198 PolarHBondContact O-N 2.99Å; V194-R231 HydrophobicContact CG1-CG 3.72Å; V194-F235 HydrophobicContact CB-CD2 4.29Å; V194-F235 HydrophobicContact CB-CE2 4.46Å; V194-F235 HydrophobicContact CG1-CB 4.49Å; V194-F235 HydrophobicContact CG1-CD2 3.68Å; V194-F235 HydrophobicContact CG1-CE2 4.29Å; V194-F235 HydrophobicContact CG1-CG 4.39Å; V194-F235 HydrophobicContact CG2-CD2 4.03Å; V194-F235 HydrophobicContact CG2-CE2 3.77Å; V194-P482 HydrophobicContact CG2-CB 4.13Å
195	I	83.6	Confident	79.5	Confident	20 Å²	20	36 Å²	36	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-45.2	178.8	-70.3	161.9	0	0	0	110.7	Q191 T192 I193 M197 V198 S199 V225	Q191-I195 WeakPolarHBondContact O-CB 3.42Å; Q191-I195 WeakPolarHBondContact O-CD1 3.44Å; Q191-I195 WeakPolarHBondContact O-CG1 3.34Å; Q191-I195 PolarHBondContact O-N 2.99Å; T192-I195 PolarHBondContact O-N 3.19Å; I193-I195 VanDerWaalsContact C-N 3.34Å; I193-I195 PolarHBondContact O-N 3.44Å; I195-M197 VanDerWaalsContact C-N 3.35Å; I195-M197 PolarHBondContact O-N 2.79Å; I195-V198 PolarHBondContact O-N 3.21Å; I195-S199 VanDerWaalsContact O-CB 3.27Å; I195-S199 WeakPolarHBondContact O-CB 3.32Å; I195-S199 PolarHBondContact O-N 3.47Å; I195-S199 PolarHBondContact O-OG 2.95Å; I195-V225 HydrophobicContact CD1-CG2 3.77Å; I195-V225 HydrophobicContact CG2-CG2 4.38Å
196	S	80.4	Confident	78.3	Confident	30 Å²	30	43 Å²	43	21%	0.21	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-45.3	176.9	-68.5	0	0	0	0	111.3	T192 I193 S199 Y200	T192-S196 VanDerWaalsContact O-CB 3.31Å; T192-S196 WeakPolarHBondContact O-CB 3Å; T192-S196 PolarHBondContact O-N 3.31Å; T192-S196 PolarHBondContact O-OG 3.35Å; I193-S196 PolarHBondContact O-N 2.7Å; S196-S199 PolarHBondContact O-N 3.22Å; S196-Y200 VanDerWaalsContact O-CB 3.23Å; S196-Y200 WeakPolarHBondContact O-CB 3.33Å; S196-Y200 PolarHBondContact O-N 3.08Å
197	M	80.9	Confident	76.4	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-44.3	179.6	-167.6	179.5	75.2	0	0	112.1	I193 V194 I195 Y200 G201 F235 I238 T239 F246 W247 F250	I193-M197 WeakPolarHBondContact O-CB 3.42Å; I193-M197 PolarHBondContact O-N 2.89Å; V194-M197 PolarHBondContact O-N 3.39Å; I195-M197 VanDerWaalsContact C-N 3.35Å; I195-M197 PolarHBondContact O-N 2.79Å; M197-Y200 PolarHBondContact O-N 3.38Å; M197-G201 PolarHBondContact O-N 3.31Å; M197-F235 HydrophobicContact CE-CD2 3.15Å; M197-F235 HydrophobicContact CE-CE2 3.01Å; M197-F235 HydrophobicContact CE-CG 4.11Å; M197-F235 HydrophobicContact CE-CZ 3.82Å; M197-F235 HydrophobicContact SD-CE2 4.37Å; M197-I238 HydrophobicContact CE-CG2 4.33Å; M197-T239 HydrophobicContact CE-CG2 3.72Å; M197-F246 HydrophobicContact CG-CE1 4.1Å; M197-F246 HydrophobicContact CG-CZ 3.96Å; M197-W247 HydrophobicContact CE-CH2 4.08Å; M197-W247 HydrophobicContact SD-CH2 3.3Å; M197-W247 WeakPolarHBondContact SD-CH2 3.3Å; M197-W247 HydrophobicContact SD-CZ2 4.44Å; M197-W247 HydrophobicContact SD-CZ3 3.38Å; M197-W247 WeakPolarHBondContact SD-CZ3 3.18Å; M197-F250 HydrophobicContact CB-CE1 3.99Å; M197-F250 HydrophobicContact CB-CE2 3.85Å; M197-F250 HydrophobicContact CB-CZ 3.53Å; M197-F250 HydrophobicContact CG-CD1 4.24Å; M197-F250 HydrophobicContact CG-CD2 4.47Å; M197-F250 HydrophobicContact CG-CE1 3.97Å; M197-F250 HydrophobicContact CG-CE2 4.24Å; M197-F250 HydrophobicContact CG-CG 4.48Å; M197-F250 HydrophobicContact CG-CZ 3.98Å; M197-F250 HydrophobicContact SD-CE1 4.37Å
198	V	83.4	Confident	73.8	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-42.3	179.2	163.3	0	0	0	0	111.4	V194 I195 G201 E202 Y224 E234 F235 I238	V194-V198 HydrophobicContact CG1-CG2 4.49Å; V194-V198 VanDerWaalsContact O-CB 3.31Å; V194-V198 WeakPolarHBondContact O-CB 3.46Å; V194-V198 VanDerWaalsContact O-CG2 3.27Å; V194-V198 WeakPolarHBondContact O-CG2 3.24Å; V194-V198 PolarHBondContact O-N 2.99Å; I195-V198 PolarHBondContact O-N 3.21Å; V198-G201 PolarHBondContact O-N 3.28Å; V198-E202 PolarHBondContact O-N 3.29Å; V198-E202 VanDerWaalsContact O-N 3.11Å; V198-Y224 HydrophobicContact CG1-CD1 3.5Å; V198-Y224 VanDerWaalsContact CG1-CD1 3.5Å; V198-Y224 HydrophobicContact CG1-CD2 3.77Å; V198-Y224 HydrophobicContact CG1-CE1 3.27Å; V198-Y224 HydrophobicContact CG1-CE2 3.58Å; V198-Y224 HydrophobicContact CG1-CG 3.72Å; V198-E234 HydrophobicContact CB-CG 4.48Å; V198-E234 HydrophobicContact CG1-CB 3.75Å; V198-E234 HydrophobicContact CG1-CG 3.42Å; V198-E234 VanDerWaalsContact CG1-CG 3.42Å; V198-F235 HydrophobicContact CG2-CB 3.79Å; V198-F235 HydrophobicContact CG2-CD2 4.31Å; V198-I238 HydrophobicContact CB-CD1 4.31Å; V198-I238 HydrophobicContact CG1-CD1 4.48Å; V198-I238 HydrophobicContact CG2-CD1 4.28Å; V198-I238 WeakPolarHBondContact O-CD1 3.27Å
199	S	80.6	Confident	71.9	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.007	30%	0.304	C	S	.	.	H	α-helix	trans	-68.2	-40.3	178.7	-52.9	0	0	0	0	111.2	I195 S196 E202 S217 S221	I195-S199 VanDerWaalsContact O-CB 3.27Å; I195-S199 WeakPolarHBondContact O-CB 3.32Å; I195-S199 PolarHBondContact O-N 3.47Å; I195-S199 PolarHBondContact O-OG 2.95Å; S196-S199 PolarHBondContact O-N 3.22Å; S199-E202 PolarHBondContact O-N 2.84Å; S199-S217 WeakPolarHBondContact CB-OG 3.45Å; S199-S221 WeakPolarHBondContact OG-CA 3.23Å
200	Y	79.1	Confident	69.8	Low	51 Å²	51	57.9 Å²	57.9	20%	0.2	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-45.7	174.5	-172.8	-111.1	0	0	0	111.3	S196 M197 E202 T203 Y204 F246 S249 F250 V253	S196-Y200 VanDerWaalsContact O-CB 3.23Å; S196-Y200 WeakPolarHBondContact O-CB 3.33Å; S196-Y200 PolarHBondContact O-N 3.08Å; M197-Y200 PolarHBondContact O-N 3.38Å; Y200-E202 VanDerWaalsContact C-N 3.33Å; Y200-E202 PolarHBondContact O-N 3Å; Y200-T203 PolarHBondContact O-N 2.88Å; Y200-T203 VanDerWaalsContact O-N 3.14Å; Y200-T203 PolarHBondContact O-OG1 3.09Å; Y200-Y204 HydrophobicContact CE1-CD2 4.29Å; Y200-Y204 PolarHBondContact O-N 3.28Å; Y200-F246 AromaticContact CD1-CD2 3.85Å; Y200-F246 HydrophobicContact CD1-CD2 3.85Å; Y200-F246 AromaticContact CD1-CE2 3.23Å; Y200-F246 HydrophobicContact CD1-CE2 3.23Å; Y200-F246 AromaticContact CD1-CZ 3.85Å; Y200-F246 HydrophobicContact CD1-CZ 3.85Å; Y200-F246 AromaticContact CE1-CD2 3.82Å; Y200-F246 HydrophobicContact CE1-CD2 3.82Å; Y200-F246 AromaticContact CE1-CE2 3.71Å; Y200-F246 HydrophobicContact CE1-CE2 3.71Å; Y200-F246 HydrophobicContact CG-CE2 4.26Å; Y200-S249 WeakPolarHBondContact OH-CB 3.34Å; Y200-F250 HydrophobicContact CD1-CB 3.88Å; Y200-F250 AromaticContact CD1-CD2 3.71Å; Y200-F250 HydrophobicContact CD1-CD2 3.71Å; Y200-F250 HydrophobicContact CD1-CG 4.24Å; Y200-F250 HydrophobicContact CE1-CB 3.94Å; Y200-F250 HydrophobicContact CE1-CD2 4.49Å; Y200-F250 HydrophobicContact CG-CD2 4.02Å; Y200-V253 HydrophobicContact CE2-CG2 4.25Å
201	G	76.8	Confident	67.8	Low	3 Å²	3	66.1 Å²	66.1	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-27.4	179.2	0	0	0	0	0	115.1	M197 V198 T203 Y204 F246	M197-G201 PolarHBondContact O-N 3.31Å; V198-G201 PolarHBondContact O-N 3.28Å; G201-T203 VanDerWaalsContact C-N 3.33Å; G201-Y204 PolarHBondContact O-N 2.94Å; G201-F246 VanDerWaalsContact CA-CE2 3.49Å
202	E	73.9	Confident	65.6	Low	49 Å²	49	65.4 Å²	65.4	23%	0.229	37%	0.37	C	S	.	.	H	α-helix	trans	-68.5	-34.2	172.8	-176.2	175.7	-160.1	0	0	112.2	V198 S199 Y200 K223 Y224	V198-E202 PolarHBondContact O-N 3.29Å; V198-E202 VanDerWaalsContact O-N 3.11Å; S199-E202 PolarHBondContact O-N 2.84Å; Y200-E202 VanDerWaalsContact C-N 3.33Å; Y200-E202 PolarHBondContact O-N 3Å; E202-K223 IonicContact OE1-NZ 3.24Å; E202-K223 PolarHBondContact OE1-NZ 3.14Å; E202-K223 VanDerWaalsContact OE2-CE 3.23Å; E202-K223 WeakPolarHBondContact OE2-CE 3.37Å; E202-K223 IonicContact OE2-NZ 3.99Å; E202-K223 PolarHBondContact OE2-NZ 3.04Å; E202-Y224 PolarHBondContact OE2-OH 3.04Å; E202-Y224 VanDerWaalsContact OE2-OH 3.09Å
203	T	70.2	Confident	63.8	Low	47 Å²	47	65.6 Å²	65.6	29%	0.288	37%	0.37	S	S	.	.	H	α-helix	trans	-85.4	-17.9	177.8	64.6	0	0	0	0	113.1	Y200 G201 G205 R206	Y200-T203 PolarHBondContact O-N 2.88Å; Y200-T203 VanDerWaalsContact O-N 3.14Å; Y200-T203 PolarHBondContact O-OG1 3.09Å; G201-T203 VanDerWaalsContact C-N 3.33Å; T203-G205 PolarHBondContact O-N 3.26Å; T203-R206 PolarHBondContact O-N 2.89Å
204	Y	65.2	Low	62.1	Low	56 Å²	56	66.1 Å²	66.1	22%	0.22	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	123	-179	-169.7	-105.1	0	0	0	111.1	Y200 G201 L242 D243 H245 F246	Y200-Y204 HydrophobicContact CE1-CD2 4.29Å; Y200-Y204 PolarHBondContact O-N 3.28Å; G201-Y204 PolarHBondContact O-N 2.94Å; Y204-L242 HydrophobicContact CD1-CD1 4.34Å; Y204-L242 HydrophobicContact CD1-CD2 4.04Å; Y204-D243 WeakPolarHBondContact CE1-OD1 3.39Å; Y204-D243 PolarHBondContact OH-OD1 3.31Å; Y204-D243 PolarHBondContact OH-OD2 3.2Å; Y204-H245 AromaticContact CE2-ND1 3.98Å; Y204-H245 AromaticContact CZ-ND1 3.93Å; Y204-H245 WeakPolarHBondContact OH-CB 3.36Å; Y204-H245 PolarHBondContact OH-ND1 3.16Å; Y204-F246 HydrophobicContact CD1-CB 4.13Å; Y204-F246 AromaticContact CD1-CD2 3.85Å; Y204-F246 HydrophobicContact CD1-CD2 3.85Å; Y204-F246 HydrophobicContact CD1-CG 4.41Å; Y204-F246 HydrophobicContact CD2-CB 4.39Å; Y204-F246 AromaticContact CD2-CD2 3.66Å; Y204-F246 HydrophobicContact CD2-CD2 3.66Å; Y204-F246 HydrophobicContact CE1-CB 3.66Å; Y204-F246 HydrophobicContact CE1-CD2 4.24Å; Y204-F246 HydrophobicContact CE1-CG 4.41Å; Y204-F246 HydrophobicContact CE2-CB 3.95Å; Y204-F246 HydrophobicContact CE2-CD2 4.06Å; Y204-F246 HydrophobicContact CG-CB 4.47Å; Y204-F246 AromaticContact CG-CD2 3.55Å; Y204-F246 HydrophobicContact CG-CD2 3.55Å; Y204-F246 HydrophobicContact CG-CE2 4.29Å; Y204-F246 HydrophobicContact CG-CG 4.46Å; Y204-F246 WeakPolarHBondContact OH-CA 3.27Å; Y204-F246 PolarHBondContact OH-N 2.94Å
205	G	55.6	Low	59.9	Low	67 Å²	67	69.3 Å²	69.3	69%	0.691	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-11.9	-177.2	0	0	0	0	0	115.8	T203 Q207	T203-G205 PolarHBondContact O-N 3.26Å; G205-Q207 PolarHBondContact O-N 2.91Å; G205-Q207 VanDerWaalsContact O-N 3.15Å
206	R	59.5	Low	57.8	Low	195 Å²	195	73.7 Å²	73.7	74%	0.736	43%	0.43	S	S	*	.			trans	-82.4	28.8	173.4	-64.7	-172.7	-178.3	-179.8	4.3	113.5	T203 Q208	T203-R206 PolarHBondContact O-N 2.89Å; R206-Q208 PolarHBondContact O-N 3.12Å
207	Q	43.3	Very low	56.4	Low	171 Å²	171	72.9 Å²	72.9	80%	0.799	42%	0.424	S	S	*	.			trans	-48.8	107.7	-167.8	-76.5	-166.6	-10.2	0	0	113.9	G205	G205-Q207 PolarHBondContact O-N 2.91Å; G205-Q207 VanDerWaalsContact O-N 3.15Å
208	Q	33.6	Very low	54.7	Low	177 Å²	177	77.6 Å²	77.6	83%	0.827	45%	0.449	S	S	*	.				-108.1	125	122.2	-90.9	-175.6	-10.7	0	0	107.5	R206 G210	R206-Q208 PolarHBondContact O-N 3.12Å; Q208-G210 PolarHBondContact O-N 3.4Å
209	S	43.4	Very low	52.9	Low	120 Å²	120	84.5 Å²	84.5	84%	0.839	49%	0.485	S	S	*	.			trans	-59.6	120.8	179.3	47.9	0	0	0	0	112.2
210	G	38.7	Very low	51.5	Low	44 Å²	44	87 Å²	87	45%	0.454	50%	0.5	S	S	.	.			trans	175.7	141.3	168.4	0	0	0	0	0	114.5	Q208 G212 T213	Q208-G210 PolarHBondContact O-N 3.4Å; G210-G212 PolarHBondContact O-N 2.81Å; G210-T213 PolarHBondContact O-N 2.53Å; G210-T213 PolarHBondContact O-OG1 3.34Å
211	I	42.7	Very low	50.7	Low	172 Å²	172	85.8 Å²	85.8	88%	0.882	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-16.8	175.3	-66.2	164.2	0	0	0	112.9	T213	I211-T213 VanDerWaalsContact C-N 3.3Å; I211-T213 PolarHBondContact O-N 2.99Å
212	G	39.3	Very low	50.6	Low	57 Å²	57	87 Å²	87	59%	0.588	51%	0.512	S	S	*	.	H	α-helix	trans	-71.8	-10.3	176.4	0	0	0	0	0	116.3	G210	G210-G212 PolarHBondContact O-N 2.81Å
213	T	45.4	Very low	51	Low	76 Å²	76	88.4 Å²	88.4	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-79.3	-30.9	-176.2	39.2	0	0	0	0	114.3	G210 I211 A215 L216 S217	G210-T213 PolarHBondContact O-N 2.53Å; G210-T213 PolarHBondContact O-OG1 3.34Å; I211-T213 VanDerWaalsContact C-N 3.3Å; I211-T213 PolarHBondContact O-N 2.99Å; T213-A215 VanDerWaalsContact C-N 3.35Å; T213-A215 PolarHBondContact O-N 3.45Å; T213-L216 PolarHBondContact O-N 3.17Å; T213-S217 PolarHBondContact O-N 3.08Å
214	A	44.9	Very low	51.8	Low	49 Å²	49	86.3 Å²	86.3	41%	0.405	50%	0.504	S	S	.	.	H	α-helix	trans	-65.5	-38.1	176.8	0	0	0	0	0	112.1	S217 L218	A214-S217 PolarHBondContact O-N 3.26Å; A214-L218 PolarHBondContact O-N 3.01Å
215	A	37.7	Very low	52.6	Low	66 Å²	66	87.8 Å²	87.8	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-68.2	-33.9	175.4	0	0	0	0	0	112.4	T213 L218	T213-A215 VanDerWaalsContact C-N 3.35Å; T213-A215 PolarHBondContact O-N 3.45Å; A215-L218 PolarHBondContact O-N 3.29Å
216	L	39.1	Very low	54	Low	112 Å²	112	91.4 Å²	91.4	59%	0.586	52%	0.521	S	S	*	.	H	α-helix	trans	-75.2	-30.6	176.6	-146	82.8	0	0	0	112.6	T213 L218 L219 T220	T213-L216 PolarHBondContact O-N 3.17Å; L216-L218 VanDerWaalsContact C-N 3.26Å; L216-L218 PolarHBondContact O-N 2.79Å; L216-L219 PolarHBondContact O-N 3.4Å; L216-T220 PolarHBondContact O-N 2.7Å; L216-T220 VanDerWaalsContact O-N 3.16Å; L216-T220 PolarHBondContact O-OG1 2.82Å; L216-T220 VanDerWaalsContact O-OG1 3.08Å
217	S	50.7	Low	55.4	Low	14 Å²	14	85.4 Å²	85.4	10%	0.098	50%	0.503	C	S	.	.	H	α-helix	trans	-63.3	-30.3	173.2	-176.7	0	0	0	0	112.6	S199 T213 A214 T220 S221	S199-S217 WeakPolarHBondContact CB-OG 3.45Å; T213-S217 PolarHBondContact O-N 3.08Å; A214-S217 PolarHBondContact O-N 3.26Å; S217-T220 WeakPolarHBondContact CA-OG1 3.38Å; S217-T220 PolarHBondContact O-OG1 2.66Å; S217-S221 PolarHBondContact O-N 3.09Å
218	L	45.9	Very low	57.7	Low	103 Å²	103	78.2 Å²	78.2	54%	0.539	47%	0.471	S	S	.	.	H	α-helix	trans	-72.8	-31.8	175.4	-72.3	169.1	0	0	0	112	A214 A215 L216 S221	A214-L218 PolarHBondContact O-N 3.01Å; A215-L218 PolarHBondContact O-N 3.29Å; L216-L218 VanDerWaalsContact C-N 3.26Å; L216-L218 PolarHBondContact O-N 2.79Å; L218-S221 WeakPolarHBondContact O-CB 3.19Å; L218-S221 PolarHBondContact O-OG 2.87Å
219	L	44.5	Very low	60.5	Low	145 Å²	145	73.4 Å²	73.4	76%	0.759	45%	0.449	S	S	*	.	H	α-helix	trans	-75.5	-31.7	176.1	-72.8	168.2	0	0	0	113	L216 S221	L216-L219 PolarHBondContact O-N 3.4Å; L219-S221 VanDerWaalsContact C-N 3.33Å
220	T	52.1	Low	62.7	Low	53 Å²	53	70.9 Å²	70.9	33%	0.325	43%	0.425	S	S	.	.	H	α-helix	trans	-79.1	-14.3	175	44.6	0	0	0	0	113.5	L216 S217 G222	L216-T220 PolarHBondContact O-N 2.7Å; L216-T220 VanDerWaalsContact O-N 3.16Å; L216-T220 PolarHBondContact O-OG1 2.82Å; L216-T220 VanDerWaalsContact O-OG1 3.08Å; S217-T220 WeakPolarHBondContact CA-OG1 3.38Å; S217-T220 PolarHBondContact O-OG1 2.66Å; T220-G222 PolarHBondContact O-N 2.67Å
221	S	63.4	Low	65.2	Low	25 Å²	25	69.3 Å²	69.3	18%	0.175	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.8	178.9	75.8	0	0	0	0	114.7	S199 S217 L218 L219 K223 Y224 V225	S199-S221 WeakPolarHBondContact OG-CA 3.23Å; S217-S221 PolarHBondContact O-N 3.09Å; L218-S221 WeakPolarHBondContact O-CB 3.19Å; L218-S221 PolarHBondContact O-OG 2.87Å; L219-S221 VanDerWaalsContact C-N 3.33Å; S221-K223 VanDerWaalsContact C-N 3.27Å; S221-K223 PolarHBondContact O-N 3.19Å; S221-Y224 PolarHBondContact O-N 2.9Å; S221-V225 PolarHBondContact O-N 3.04Å
222	G	73.2	Confident	67.5	Low	29 Å²	29	61.1 Å²	61.1	30%	0.299	36%	0.364	S	S	.	.	H	α-helix	trans	-57.2	-37	-174.2	0	0	0	0	0	113.5	T220 Y224 V225 I226	T220-G222 PolarHBondContact O-N 2.67Å; G222-Y224 VanDerWaalsContact C-N 3.33Å; G222-Y224 PolarHBondContact O-N 3.41Å; G222-V225 WeakPolarHBondContact O-CB 3.18Å; G222-V225 PolarHBondContact O-N 3.38Å; G222-I226 WeakPolarHBondContact O-CB 3.25Å; G222-I226 WeakPolarHBondContact O-CD1 3.49Å; G222-I226 WeakPolarHBondContact O-CG1 3.46Å; G222-I226 PolarHBondContact O-N 3.03Å
223	K	83.7	Confident	69.9	Low	78 Å²	78	60.9 Å²	60.9	34%	0.339	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-34.9	178.8	70.7	-175.9	176.3	174	0	112.7	E202 S221 V225 I226 D227 L230	E202-K223 IonicContact OE1-NZ 3.24Å; E202-K223 PolarHBondContact OE1-NZ 3.14Å; E202-K223 VanDerWaalsContact OE2-CE 3.23Å; E202-K223 WeakPolarHBondContact OE2-CE 3.37Å; E202-K223 IonicContact OE2-NZ 3.99Å; E202-K223 PolarHBondContact OE2-NZ 3.04Å; S221-K223 VanDerWaalsContact C-N 3.27Å; S221-K223 PolarHBondContact O-N 3.19Å; K223-V225 VanDerWaalsContact C-N 3.34Å; K223-I226 PolarHBondContact O-N 2.93Å; K223-D227 WeakPolarHBondContact O-CB 3.26Å; K223-D227 PolarHBondContact O-N 3.31Å; K223-L230 HydrophobicContact CD-CD2 4.18Å; K223-L230 HydrophobicContact CG-CD2 4.23Å
224	Y	85.4	Confident	71.8	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-79.9	-18	178.7	-58.4	-64.6	0	0	0	112.9	V198 E202 S221 G222 L230 R231 E234	V198-Y224 HydrophobicContact CG1-CD1 3.5Å; V198-Y224 VanDerWaalsContact CG1-CD1 3.5Å; V198-Y224 HydrophobicContact CG1-CD2 3.77Å; V198-Y224 HydrophobicContact CG1-CE1 3.27Å; V198-Y224 HydrophobicContact CG1-CE2 3.58Å; V198-Y224 HydrophobicContact CG1-CG 3.72Å; E202-Y224 PolarHBondContact OE2-OH 3.04Å; E202-Y224 VanDerWaalsContact OE2-OH 3.09Å; S221-Y224 PolarHBondContact O-N 2.9Å; G222-Y224 VanDerWaalsContact C-N 3.33Å; G222-Y224 PolarHBondContact O-N 3.41Å; Y224-L230 HydrophobicContact CD1-CD2 4.32Å; Y224-L230 HydrophobicContact CD1-CG 4.11Å; Y224-L230 HydrophobicContact CE1-CD2 4.17Å; Y224-L230 HydrophobicContact CE1-CG 3.92Å; Y224-R231 HydrophobicContact CD1-CB 4.31Å; Y224-R231 PolarHBondContact O-NH1 3.37Å; Y224-E234 HydrophobicContact CE1-CB 3.92Å; Y224-E234 HydrophobicContact CE1-CG 3.98Å
225	V	82.4	Confident	73.9	Confident	86 Å²	86	56.3 Å²	56.3	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-74.7	-44.1	166	177.6	0	0	0	0	110.1	I195 S221 G222 K223	I195-V225 HydrophobicContact CD1-CG2 3.77Å; I195-V225 HydrophobicContact CG2-CG2 4.38Å; S221-V225 PolarHBondContact O-N 3.04Å; G222-V225 WeakPolarHBondContact O-CB 3.18Å; G222-V225 PolarHBondContact O-N 3.38Å; K223-V225 VanDerWaalsContact C-N 3.34Å
226	I	84.8	Confident	76.2	Confident	143 Å²	143	53.6 Å²	53.6	73%	0.733	30%	0.297	S	S	*	.	H	α-helix	trans	-76.2	-40	-173.8	-67.3	164.7	0	0	0	112.2	G222 K223 P228	G222-I226 WeakPolarHBondContact O-CB 3.25Å; G222-I226 WeakPolarHBondContact O-CD1 3.49Å; G222-I226 WeakPolarHBondContact O-CG1 3.46Å; G222-I226 PolarHBondContact O-N 3.03Å; K223-I226 PolarHBondContact O-N 2.93Å; I226-P228 WeakPolarHBondContact O-CD 3.3Å
227	D	89.1	Confident	78.2	Confident	70 Å²	70	52.2 Å²	52.2	37%	0.374	28%	0.284	S	S	.	.			trans	-114.1	97.2	-177.4	-169.9	-19.4	0	0	0	111.2	K223 E229 L230 R231	K223-D227 WeakPolarHBondContact O-CB 3.26Å; K223-D227 PolarHBondContact O-N 3.31Å; D227-E229 VanDerWaalsContact C-N 3.31Å; D227-E229 PolarHBondContact O-N 2.93Å; D227-E229 PolarHBondContact OD1-N 3.34Å; D227-L230 HydrophobicContact CB-CB 3.87Å; D227-L230 PolarHBondContact OD1-N 3.34Å; D227-L230 VanDerWaalsContact OD1-N 3.07Å; D227-R231 PolarHBondContact O-N 3.05Å; D227-R231 VanDerWaalsContact O-N 3.12Å
228	P	91.6	Very high	79.5	Confident	19 Å²	19	51.5 Å²	51.5	12%	0.123	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-33.7	176.8	-23	33.8	0	0	0	113.5	G175 R176 I226 R231 G232	G175-P228 WeakPolarHBondContact CA-O 3.46Å; R176-P228 HydrophobicContact CG-CB 3.8Å; R176-P228 HydrophobicContact CG-CG 4.15Å; I226-P228 WeakPolarHBondContact O-CD 3.3Å; P228-R231 WeakPolarHBondContact O-CB 3.35Å; P228-R231 PolarHBondContact O-N 3.45Å; P228-G232 PolarHBondContact O-N 3.23Å
229	E	91.8	Very high	80.9	Confident	77 Å²	77	47 Å²	47	36%	0.36	26%	0.256	S	S	.	.	H	α-helix	trans	-72.3	-40.8	-176.1	-52.7	-51	153.6	0	0	110.2	R176 D227 R231 G232 A233	R176-E229 WeakPolarHBondContact CD-OE1 3.33Å; R176-E229 VanDerWaalsContact CG-OE1 3.3Å; R176-E229 WeakPolarHBondContact CG-OE1 3.35Å; R176-E229 IonicContact CZ-OE1 3.8Å; R176-E229 IonicContact NE-OE1 3.19Å; R176-E229 PolarHBondContact NE-OE1 2.79Å; D227-E229 VanDerWaalsContact C-N 3.31Å; D227-E229 PolarHBondContact O-N 2.93Å; D227-E229 PolarHBondContact OD1-N 3.34Å; E229-R231 VanDerWaalsContact C-N 3.31Å; E229-R231 PolarHBondContact O-N 2.91Å; E229-G232 PolarHBondContact O-N 2.94Å; E229-A233 PolarHBondContact O-N 3.32Å
230	L	90.3	Very high	82.1	Confident	66 Å²	66	40.6 Å²	40.6	35%	0.346	22%	0.222	S	C	.	.	H	α-helix	trans	-59	-43	171	-179.9	63.1	0	0	0	111.6	K223 Y224 D227 G232 A233 E234	K223-L230 HydrophobicContact CD-CD2 4.18Å; K223-L230 HydrophobicContact CG-CD2 4.23Å; Y224-L230 HydrophobicContact CD1-CD2 4.32Å; Y224-L230 HydrophobicContact CD1-CG 4.11Å; Y224-L230 HydrophobicContact CE1-CD2 4.17Å; Y224-L230 HydrophobicContact CE1-CG 3.92Å; D227-L230 HydrophobicContact CB-CB 3.87Å; D227-L230 PolarHBondContact OD1-N 3.34Å; D227-L230 VanDerWaalsContact OD1-N 3.07Å; L230-G232 VanDerWaalsContact C-N 3.35Å; L230-G232 PolarHBondContact O-N 3.18Å; L230-A233 PolarHBondContact O-N 3.1Å; L230-E234 WeakPolarHBondContact O-CB 2.89Å; L230-E234 PolarHBondContact O-N 3.46Å
231	R	91.9	Very high	82.8	Confident	12 Å²	12	41.7 Å²	41.7	5%	0.045	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-46.3	174.8	178.4	-178.6	68.4	-147.6	6.3	111.7	Y174 G175 V194 Y224 D227 P228 E229 F235	Y174-R231 PolarHBondContact O-NE 3.42Å; Y174-R231 VanDerWaalsContact O-NE 3.08Å; G175-R231 PolarHBondContact O-NH2 2.98Å; V194-R231 HydrophobicContact CG1-CG 3.72Å; Y224-R231 HydrophobicContact CD1-CB 4.31Å; Y224-R231 PolarHBondContact O-NH1 3.37Å; D227-R231 PolarHBondContact O-N 3.05Å; D227-R231 VanDerWaalsContact O-N 3.12Å; P228-R231 WeakPolarHBondContact O-CB 3.35Å; P228-R231 PolarHBondContact O-N 3.45Å; E229-R231 VanDerWaalsContact C-N 3.31Å; E229-R231 PolarHBondContact O-N 2.91Å; R231-F235 VanDerWaalsContact O-CB 3.3Å; R231-F235 WeakPolarHBondContact O-CB 3.24Å; R231-F235 PolarHBondContact O-N 3.4Å
232	G	90.1	Very high	83	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-47.2	179.7	0	0	0	0	0	112.4	A171 P228 E229 L230 E234 F235 E236	A171-G232 WeakPolarHBondContact CB-O 3.48Å; P228-G232 PolarHBondContact O-N 3.23Å; E229-G232 PolarHBondContact O-N 2.94Å; L230-G232 VanDerWaalsContact C-N 3.35Å; L230-G232 PolarHBondContact O-N 3.18Å; G232-E234 PolarHBondContact O-N 3.15Å; G232-F235 PolarHBondContact O-N 3.26Å; G232-E236 PolarHBondContact O-N 3Å
233	A	89.1	Confident	82.8	Confident	51 Å²	51	43.5 Å²	43.5	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-43.5	179.7	0	0	0	0	0	111.9	E229 L230 E236 R237	E229-A233 PolarHBondContact O-N 3.32Å; L230-A233 PolarHBondContact O-N 3.1Å; A233-E236 PolarHBondContact O-N 3.01Å; A233-R237 PolarHBondContact O-N 2.99Å
234	E	86.8	Confident	82.1	Confident	29 Å²	29	40.6 Å²	40.6	14%	0.136	22%	0.215	C	C	.	.	H	α-helix	trans	-72.8	-35.2	-179.3	-171.3	61	-168.2	0	0	112.3	V198 Y224 L230 G232 R237 I238	V198-E234 HydrophobicContact CB-CG 4.48Å; V198-E234 HydrophobicContact CG1-CB 3.75Å; V198-E234 HydrophobicContact CG1-CG 3.42Å; V198-E234 VanDerWaalsContact CG1-CG 3.42Å; Y224-E234 HydrophobicContact CE1-CB 3.92Å; Y224-E234 HydrophobicContact CE1-CG 3.98Å; L230-E234 WeakPolarHBondContact O-CB 2.89Å; L230-E234 PolarHBondContact O-N 3.46Å; G232-E234 PolarHBondContact O-N 3.15Å; E234-R237 PolarHBondContact O-N 3.25Å; E234-R237 IonicContact OE1-CZ 3.63Å; E234-R237 IonicContact OE1-NE 3.92Å; E234-R237 PolarHBondContact OE1-NE 3.29Å; E234-R237 IonicContact OE1-NH2 3.51Å; E234-R237 PolarHBondContact OE1-NH2 2.88Å; E234-R237 WeakPolarHBondContact OE2-CD 3.3Å; E234-R237 IonicContact OE2-CZ 2.72Å; E234-R237 IonicContact OE2-NE 2.69Å; E234-R237 PolarHBondContact OE2-NE 3.35Å; E234-I238 HydrophobicContact CG-CD1 3.9Å; E234-I238 WeakPolarHBondContact O-CB 3.21Å; E234-I238 WeakPolarHBondContact O-CG1 3.07Å; E234-I238 PolarHBondContact O-N 3.23Å
235	F	87.6	Confident	81.5	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-46.9	171.1	-178.7	-82.6	0	0	0	111.3	Y174 V194 M197 V198 R231 G232 R237 I238 T239	Y174-F235 AromaticContact CD1-CD1 3.6Å; Y174-F235 HydrophobicContact CD1-CD1 3.6Å; Y174-F235 HydrophobicContact CD1-CD2 4.35Å; Y174-F235 AromaticContact CD1-CE1 3.37Å; Y174-F235 HydrophobicContact CD1-CE1 3.37Å; Y174-F235 HydrophobicContact CD1-CE2 4.09Å; Y174-F235 HydrophobicContact CD1-CG 4.11Å; Y174-F235 AromaticContact CD1-CZ 3.62Å; Y174-F235 HydrophobicContact CD1-CZ 3.62Å; Y174-F235 AromaticContact CD2-CD1 3.42Å; Y174-F235 HydrophobicContact CD2-CD1 3.42Å; Y174-F235 VanDerWaalsContact CD2-CD1 3.42Å; Y174-F235 AromaticContact CD2-CE1 3.63Å; Y174-F235 HydrophobicContact CD2-CE1 3.63Å; Y174-F235 HydrophobicContact CD2-CG 4.36Å; Y174-F235 AromaticContact CE1-CD1 3.96Å; Y174-F235 HydrophobicContact CE1-CD1 3.96Å; Y174-F235 AromaticContact CE1-CE1 3.25Å; Y174-F235 HydrophobicContact CE1-CE1 3.25Å; Y174-F235 HydrophobicContact CE1-CE2 4.31Å; Y174-F235 AromaticContact CE1-CZ 3.45Å; Y174-F235 HydrophobicContact CE1-CZ 3.45Å; Y174-F235 VanDerWaalsContact CE1-CZ 3.45Å; Y174-F235 AromaticContact CE2-CD1 3.78Å; Y174-F235 HydrophobicContact CE2-CD1 3.78Å; Y174-F235 AromaticContact CE2-CE1 3.51Å; Y174-F235 HydrophobicContact CE2-CE1 3.51Å; Y174-F235 HydrophobicContact CG-CB 4.47Å; Y174-F235 AromaticContact CG-CD1 3.31Å; Y174-F235 HydrophobicContact CG-CD1 3.31Å; Y174-F235 AromaticContact CG-CE1 3.55Å; Y174-F235 HydrophobicContact CG-CE1 3.55Å; Y174-F235 AromaticContact CG-CG 3.87Å; Y174-F235 HydrophobicContact CG-CG 3.87Å; Y174-F235 HydrophobicContact CG-CZ 4.23Å; Y174-F235 AromaticContact CZ-CE1 3.29Å; Y174-F235 AromaticContact CZ-CZ 3.91Å; V194-F235 HydrophobicContact CB-CD2 4.29Å; V194-F235 HydrophobicContact CB-CE2 4.46Å; V194-F235 HydrophobicContact CG1-CB 4.49Å; V194-F235 HydrophobicContact CG1-CD2 3.68Å; V194-F235 HydrophobicContact CG1-CE2 4.29Å; V194-F235 HydrophobicContact CG1-CG 4.39Å; V194-F235 HydrophobicContact CG2-CD2 4.03Å; V194-F235 HydrophobicContact CG2-CE2 3.77Å; M197-F235 HydrophobicContact CE-CD2 3.15Å; M197-F235 HydrophobicContact CE-CE2 3.01Å; M197-F235 HydrophobicContact CE-CG 4.11Å; M197-F235 HydrophobicContact CE-CZ 3.82Å; M197-F235 HydrophobicContact SD-CE2 4.37Å; V198-F235 HydrophobicContact CG2-CB 3.79Å; V198-F235 HydrophobicContact CG2-CD2 4.31Å; R231-F235 VanDerWaalsContact O-CB 3.3Å; R231-F235 WeakPolarHBondContact O-CB 3.24Å; R231-F235 PolarHBondContact O-N 3.4Å; G232-F235 PolarHBondContact O-N 3.26Å; F235-R237 PolarHBondContact O-N 3.34Å; F235-I238 PolarHBondContact O-N 3.21Å; F235-T239 HydrophobicContact CD1-CG2 3.87Å; F235-T239 HydrophobicContact CD2-CG2 4.42Å; F235-T239 HydrophobicContact CE1-CG2 3.44Å; F235-T239 VanDerWaalsContact CE1-CG2 3.44Å; F235-T239 HydrophobicContact CE2-CG2 4.13Å; F235-T239 HydrophobicContact CG-CG2 4.34Å; F235-T239 HydrophobicContact CZ-CG2 3.62Å; F235-T239 WeakPolarHBondContact O-CB 3.4Å; F235-T239 WeakPolarHBondContact O-CG2 3.45Å; F235-T239 PolarHBondContact O-N 3.25Å; F235-T239 PolarHBondContact O-OG1 3.4Å
236	E	85.8	Confident	81.2	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-46.2	176.1	178.5	168.9	-157	0	0	111.2	H169 K170 A171 G232 A233 I238 T239 Q240 S582	H169-E236 IonicContact CE1-OE2 3.13Å; H169-E236 IonicContact ND1-OE2 3.08Å; H169-E236 PolarHBondContact ND1-OE2 3.3Å; K170-E236 HydrophobicContact CB-CB 4.35Å; K170-E236 HydrophobicContact CB-CG 3.98Å; K170-E236 HydrophobicContact CG-CG 4.36Å; K170-E236 VanDerWaalsContact N-CD 3.28Å; K170-E236 PolarHBondContact N-OE1 3.11Å; K170-E236 PolarHBondContact N-OE2 3.34Å; A171-E236 HydrophobicContact CB-CB 4.32Å; A171-E236 VanDerWaalsContact CB-OE2 3.31Å; A171-E236 WeakPolarHBondContact CB-OE2 3.32Å; A171-E236 PolarHBondContact N-OE2 2.88Å; G232-E236 PolarHBondContact O-N 3Å; A233-E236 PolarHBondContact O-N 3.01Å; E236-I238 VanDerWaalsContact C-N 3.34Å; E236-I238 PolarHBondContact O-N 2.98Å; E236-T239 PolarHBondContact O-OG1 3.03Å; E236-Q240 WeakPolarHBondContact O-CB 3.41Å; E236-Q240 WeakPolarHBondContact O-CG 3.39Å; E236-Q240 PolarHBondContact O-N 3.44Å; E236-Q240 PolarHBondContact OE1-NE2 2.93Å; E236-S582 VanDerWaalsContact CD-OG 3.26Å; E236-S582 VanDerWaalsContact OE1-CB 3.25Å; E236-S582 WeakPolarHBondContact OE1-CB 3.41Å; E236-S582 PolarHBondContact OE1-OG 2.73Å
237	R	82	Confident	80.6	Confident	83 Å²	83	35 Å²	35	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-58.4	-44.8	177.4	-167.4	-165.2	71.6	73.7	0.4	112.1	A233 E234 F235 N241	A233-R237 PolarHBondContact O-N 2.99Å; E234-R237 PolarHBondContact O-N 3.25Å; E234-R237 IonicContact OE1-CZ 3.63Å; E234-R237 IonicContact OE1-NE 3.92Å; E234-R237 PolarHBondContact OE1-NE 3.29Å; E234-R237 IonicContact OE1-NH2 3.51Å; E234-R237 PolarHBondContact OE1-NH2 2.88Å; E234-R237 WeakPolarHBondContact OE2-CD 3.3Å; E234-R237 IonicContact OE2-CZ 2.72Å; E234-R237 IonicContact OE2-NE 2.69Å; E234-R237 PolarHBondContact OE2-NE 3.35Å; F235-R237 PolarHBondContact O-N 3.34Å; R237-N241 WeakPolarHBondContact O-CB 2.86Å; R237-N241 PolarHBondContact O-N 2.96Å; R237-N241 PolarHBondContact O-ND2 2.84Å
238	I	77.3	Confident	79.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-49.3	-177.5	-77.9	167.1	0	0	0	111.4	M197 V198 E234 F235 E236 Q240 N241 L242 F246	M197-I238 HydrophobicContact CE-CG2 4.33Å; V198-I238 HydrophobicContact CB-CD1 4.31Å; V198-I238 HydrophobicContact CG1-CD1 4.48Å; V198-I238 HydrophobicContact CG2-CD1 4.28Å; V198-I238 WeakPolarHBondContact O-CD1 3.27Å; E234-I238 HydrophobicContact CG-CD1 3.9Å; E234-I238 WeakPolarHBondContact O-CB 3.21Å; E234-I238 WeakPolarHBondContact O-CG1 3.07Å; E234-I238 PolarHBondContact O-N 3.23Å; F235-I238 PolarHBondContact O-N 3.21Å; E236-I238 VanDerWaalsContact C-N 3.34Å; E236-I238 PolarHBondContact O-N 2.98Å; I238-Q240 PolarHBondContact O-N 2.94Å; I238-N241 PolarHBondContact O-N 3.03Å; I238-L242 HydrophobicContact CB-CD1 4.16Å; I238-L242 HydrophobicContact CB-CG 4.42Å; I238-L242 HydrophobicContact CG1-CD1 4.05Å; I238-L242 HydrophobicContact CG2-CD1 3.53Å; I238-L242 HydrophobicContact CG2-CG 4.05Å; I238-L242 WeakPolarHBondContact O-CB 3.15Å; I238-L242 PolarHBondContact O-N 2.98Å; I238-F246 HydrophobicContact CG2-CE1 3.95Å; I238-F246 HydrophobicContact CG2-CZ 3.98Å
239	T	75.4	Confident	78.7	Confident	8 Å²	8	33.7 Å²	33.7	5%	0.049	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-31.6	-175.1	50	0	0	0	0	113.1	M197 F235 E236 W247 P485 R491	M197-T239 HydrophobicContact CE-CG2 3.72Å; F235-T239 HydrophobicContact CD1-CG2 3.87Å; F235-T239 HydrophobicContact CD2-CG2 4.42Å; F235-T239 HydrophobicContact CE1-CG2 3.44Å; F235-T239 VanDerWaalsContact CE1-CG2 3.44Å; F235-T239 HydrophobicContact CE2-CG2 4.13Å; F235-T239 HydrophobicContact CG-CG2 4.34Å; F235-T239 HydrophobicContact CZ-CG2 3.62Å; F235-T239 WeakPolarHBondContact O-CB 3.4Å; F235-T239 WeakPolarHBondContact O-CG2 3.45Å; F235-T239 PolarHBondContact O-N 3.25Å; F235-T239 PolarHBondContact O-OG1 3.4Å; E236-T239 PolarHBondContact O-OG1 3.03Å; T239-W247 HydrophobicContact CG2-CH2 4Å; T239-W247 HydrophobicContact CG2-CZ2 4.15Å; T239-P485 HydrophobicContact CG2-CG 4.22Å; T239-R491 PolarHBondContact O-NH1 3.26Å
240	Q	70.6	Confident	77.8	Confident	10 Å²	10	30.5 Å²	30.5	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-78.2	-36.3	177.1	-66.2	-177.5	1.3	0	0	113.3	E236 I238 R491 C584 A586	E236-Q240 WeakPolarHBondContact O-CB 3.41Å; E236-Q240 WeakPolarHBondContact O-CG 3.39Å; E236-Q240 PolarHBondContact O-N 3.44Å; E236-Q240 PolarHBondContact OE1-NE2 2.93Å; I238-Q240 PolarHBondContact O-N 2.94Å; Q240-R491 PolarHBondContact O-NH2 3.46Å; Q240-C584 VanDerWaalsContact OE1-C 3.27Å; Q240-C584 PolarHBondContact OE1-O 2.86Å; Q240-A586 HydrophobicContact CB-CB 3.83Å; Q240-A586 HydrophobicContact CG-CB 3.7Å
241	N	66.6	Low	76.9	Confident	77 Å²	77	29.6 Å²	29.6	41%	0.412	15%	0.149	S	C	.	.	H	α-helix	trans	-111.2	-17.6	-164.3	-63.3	-55.7	0	0	0	116.2	R237 I238	R237-N241 WeakPolarHBondContact O-CB 2.86Å; R237-N241 PolarHBondContact O-N 2.96Å; R237-N241 PolarHBondContact O-ND2 2.84Å; I238-N241 PolarHBondContact O-N 3.03Å
242	L	68	Low	75.7	Confident	22 Å²	22	31.6 Å²	31.6	12%	0.115	16%	0.161	C	C	.	.			trans	-82.4	142.5	-174.9	-64.7	-168	0	0	0	113.4	Y204 I238 F246 R491	Y204-L242 HydrophobicContact CD1-CD1 4.34Å; Y204-L242 HydrophobicContact CD1-CD2 4.04Å; I238-L242 HydrophobicContact CB-CD1 4.16Å; I238-L242 HydrophobicContact CB-CG 4.42Å; I238-L242 HydrophobicContact CG1-CD1 4.05Å; I238-L242 HydrophobicContact CG2-CD1 3.53Å; I238-L242 HydrophobicContact CG2-CG 4.05Å; I238-L242 WeakPolarHBondContact O-CB 3.15Å; I238-L242 PolarHBondContact O-N 2.98Å; L242-F246 HydrophobicContact CB-CB 3.86Å; L242-F246 HydrophobicContact CB-CD1 3.78Å; L242-F246 HydrophobicContact CB-CD2 4.47Å; L242-F246 HydrophobicContact CB-CE1 4.47Å; L242-F246 HydrophobicContact CB-CG 3.77Å; L242-F246 HydrophobicContact CD1-CB 4.23Å; L242-F246 HydrophobicContact CD1-CD1 3.64Å; L242-F246 HydrophobicContact CD1-CD2 3.3Å; L242-F246 HydrophobicContact CD1-CE1 3.72Å; L242-F246 HydrophobicContact CD1-CE2 3.33Å; L242-F246 HydrophobicContact CD1-CG 3.43Å; L242-F246 VanDerWaalsContact CD1-CG 3.43Å; L242-F246 HydrophobicContact CD1-CZ 3.55Å; L242-F246 HydrophobicContact CG-CD1 4.36Å; L242-F246 HydrophobicContact CG-CD2 4.45Å; L242-F246 HydrophobicContact CG-CG 4.22Å; L242-R491 PolarHBondContact O-NE 2.79Å; L242-R491 PolarHBondContact O-NH1 2.88Å; L242-R491 VanDerWaalsContact O-NH1 3.14Å; L242-R491 PolarHBondContact O-NH2 3.07Å
243	D	69.4	Low	74.4	Confident	70 Å²	70	34.5 Å²	34.5	37%	0.374	18%	0.178	S	C	.	.			trans	-74	171.6	-174.9	64.3	7.2	0	0	0	113.5	Y204 H245 F246 W247	Y204-D243 WeakPolarHBondContact CE1-OD1 3.39Å; Y204-D243 PolarHBondContact OH-OD1 3.31Å; Y204-D243 PolarHBondContact OH-OD2 3.2Å; D243-H245 PolarHBondContact O-N 3.39Å; D243-H245 PolarHBondContact OD1-N 3.16Å; D243-F246 WeakPolarHBondContact O-CB 3.34Å; D243-F246 PolarHBondContact O-N 3.13Å; D243-F246 PolarHBondContact OD1-N 3.35Å; D243-W247 PolarHBondContact O-N 2.87Å
244	L	67.3	Low	72.7	Confident	17 Å²	17	34.4 Å²	34.4	9%	0.089	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-32.3	178.3	-177.9	65.1	0	0	0	112.3	F246 W247 K248 V365 P396 R491 A495 F501	L244-F246 VanDerWaalsContact C-N 3.29Å; L244-F246 PolarHBondContact O-N 2.8Å; L244-W247 PolarHBondContact O-N 2.87Å; L244-K248 WeakPolarHBondContact O-CB 3.34Å; L244-K248 PolarHBondContact O-N 2.86Å; L244-V365 HydrophobicContact CD1-CB 4.33Å; L244-V365 HydrophobicContact CD1-CG1 4.18Å; L244-V365 HydrophobicContact CD1-CG2 4.27Å; L244-V365 HydrophobicContact CD2-CG1 4.41Å; L244-P396 HydrophobicContact CD2-CB 4.29Å; L244-P396 HydrophobicContact CD2-CG 4.1Å; L244-R491 HydrophobicContact CD1-CB 4.23Å; L244-A495 HydrophobicContact CD2-CB 3.63Å; L244-F501 HydrophobicContact CD2-CE1 3.58Å; L244-F501 HydrophobicContact CD2-CZ 3.88Å
245	H	72.8	Confident	71.2	Confident	109 Å²	109	35.2 Å²	35.2	51%	0.505	18%	0.176	S	C	.	.	H	α-helix	trans	-63.8	-36.5	179	-176.8	-79.7	0	0	0	111.6	Y204 D243 S249	Y204-H245 AromaticContact CE2-ND1 3.98Å; Y204-H245 AromaticContact CZ-ND1 3.93Å; Y204-H245 WeakPolarHBondContact OH-CB 3.36Å; Y204-H245 PolarHBondContact OH-ND1 3.16Å; D243-H245 PolarHBondContact O-N 3.39Å; D243-H245 PolarHBondContact OD1-N 3.16Å; H245-S249 PolarHBondContact CE1-OG 2.56Å; H245-S249 PolarHBondContact ND1-OG 3.46Å; H245-S249 VanDerWaalsContact O-CB 3.23Å; H245-S249 WeakPolarHBondContact O-CB 3.19Å; H245-S249 PolarHBondContact O-N 2.68Å; H245-S249 PolarHBondContact O-OG 3.26Å
246	F	76.4	Confident	69.3	Low	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-51.8	171.7	171.1	-98.5	0	0	0	110.9	M197 Y200 G201 Y204 I238 L242 D243 L244 S249 F250	M197-F246 HydrophobicContact CG-CE1 4.1Å; M197-F246 HydrophobicContact CG-CZ 3.96Å; Y200-F246 AromaticContact CD1-CD2 3.85Å; Y200-F246 HydrophobicContact CD1-CD2 3.85Å; Y200-F246 AromaticContact CD1-CE2 3.23Å; Y200-F246 HydrophobicContact CD1-CE2 3.23Å; Y200-F246 AromaticContact CD1-CZ 3.85Å; Y200-F246 HydrophobicContact CD1-CZ 3.85Å; Y200-F246 AromaticContact CE1-CD2 3.82Å; Y200-F246 HydrophobicContact CE1-CD2 3.82Å; Y200-F246 AromaticContact CE1-CE2 3.71Å; Y200-F246 HydrophobicContact CE1-CE2 3.71Å; Y200-F246 HydrophobicContact CG-CE2 4.26Å; G201-F246 VanDerWaalsContact CA-CE2 3.49Å; Y204-F246 HydrophobicContact CD1-CB 4.13Å; Y204-F246 AromaticContact CD1-CD2 3.85Å; Y204-F246 HydrophobicContact CD1-CD2 3.85Å; Y204-F246 HydrophobicContact CD1-CG 4.41Å; Y204-F246 HydrophobicContact CD2-CB 4.39Å; Y204-F246 AromaticContact CD2-CD2 3.66Å; Y204-F246 HydrophobicContact CD2-CD2 3.66Å; Y204-F246 HydrophobicContact CE1-CB 3.66Å; Y204-F246 HydrophobicContact CE1-CD2 4.24Å; Y204-F246 HydrophobicContact CE1-CG 4.41Å; Y204-F246 HydrophobicContact CE2-CB 3.95Å; Y204-F246 HydrophobicContact CE2-CD2 4.06Å; Y204-F246 HydrophobicContact CG-CB 4.47Å; Y204-F246 AromaticContact CG-CD2 3.55Å; Y204-F246 HydrophobicContact CG-CD2 3.55Å; Y204-F246 HydrophobicContact CG-CE2 4.29Å; Y204-F246 HydrophobicContact CG-CG 4.46Å; Y204-F246 WeakPolarHBondContact OH-CA 3.27Å; Y204-F246 PolarHBondContact OH-N 2.94Å; I238-F246 HydrophobicContact CG2-CE1 3.95Å; I238-F246 HydrophobicContact CG2-CZ 3.98Å; L242-F246 HydrophobicContact CB-CB 3.86Å; L242-F246 HydrophobicContact CB-CD1 3.78Å; L242-F246 HydrophobicContact CB-CD2 4.47Å; L242-F246 HydrophobicContact CB-CE1 4.47Å; L242-F246 HydrophobicContact CB-CG 3.77Å; L242-F246 HydrophobicContact CD1-CB 4.23Å; L242-F246 HydrophobicContact CD1-CD1 3.64Å; L242-F246 HydrophobicContact CD1-CD2 3.3Å; L242-F246 HydrophobicContact CD1-CE1 3.72Å; L242-F246 HydrophobicContact CD1-CE2 3.33Å; L242-F246 HydrophobicContact CD1-CG 3.43Å; L242-F246 VanDerWaalsContact CD1-CG 3.43Å; L242-F246 HydrophobicContact CD1-CZ 3.55Å; L242-F246 HydrophobicContact CG-CD1 4.36Å; L242-F246 HydrophobicContact CG-CD2 4.45Å; L242-F246 HydrophobicContact CG-CG 4.22Å; D243-F246 WeakPolarHBondContact O-CB 3.34Å; D243-F246 PolarHBondContact O-N 3.13Å; D243-F246 PolarHBondContact OD1-N 3.35Å; L244-F246 VanDerWaalsContact C-N 3.29Å; L244-F246 PolarHBondContact O-N 2.8Å; F246-S249 PolarHBondContact O-N 3.21Å; F246-F250 HydrophobicContact CE1-CB 4.43Å; F246-F250 HydrophobicContact CZ-CB 4.46Å; F246-F250 WeakPolarHBondContact O-CB 3.31Å; F246-F250 PolarHBondContact O-N 2.91Å
247	W	73.2	Confident	67.2	Low	6 Å²	6	42.4 Å²	42.4	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-45.5	-176.1	-70.5	106.1	0	0	0	112	M197 T239 D243 L244 S249 F250 W251 V488	M197-W247 HydrophobicContact CE-CH2 4.08Å; M197-W247 HydrophobicContact SD-CH2 3.3Å; M197-W247 WeakPolarHBondContact SD-CH2 3.3Å; M197-W247 HydrophobicContact SD-CZ2 4.44Å; M197-W247 HydrophobicContact SD-CZ3 3.38Å; M197-W247 WeakPolarHBondContact SD-CZ3 3.18Å; T239-W247 HydrophobicContact CG2-CH2 4Å; T239-W247 HydrophobicContact CG2-CZ2 4.15Å; D243-W247 PolarHBondContact O-N 2.87Å; L244-W247 PolarHBondContact O-N 2.87Å; W247-S249 PolarHBondContact O-N 3.22Å; W247-F250 PolarHBondContact O-N 3.04Å; W247-W251 HydrophobicContact CB-CE3 4.08Å; W247-W251 HydrophobicContact CB-CH2 4.36Å; W247-W251 HydrophobicContact CB-CZ3 3.88Å; W247-W251 HydrophobicContact CE3-CH2 4.49Å; W247-W251 HydrophobicContact CE3-CZ2 4.15Å; W247-W251 WeakPolarHBondContact O-CB 3.34Å; W247-W251 VanDerWaalsContact O-CE3 3.26Å; W247-W251 PolarHBondContact O-N 2.83Å; W247-V488 HydrophobicContact CD2-CG2 3.64Å; W247-V488 HydrophobicContact CE3-CG2 3.86Å; W247-V488 HydrophobicContact CG-CG2 4.38Å; W247-V488 HydrophobicContact CH2-CG2 3.45Å; W247-V488 VanDerWaalsContact CH2-CG2 3.45Å; W247-V488 HydrophobicContact CZ2-CG2 3.23Å; W247-V488 HydrophobicContact CZ3-CG2 3.77Å
248	K	71.5	Confident	65.1	Low	37 Å²	37	44.3 Å²	44.3	16%	0.161	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-47.6	173.7	-173	171.9	-177.9	173.8	0	111.2	L244 N252 E397	L244-K248 WeakPolarHBondContact O-CB 3.34Å; L244-K248 PolarHBondContact O-N 2.86Å; K248-N252 VanDerWaalsContact O-CB 3.31Å; K248-N252 WeakPolarHBondContact O-CB 3.39Å; K248-N252 PolarHBondContact O-N 2.83Å; K248-N252 PolarHBondContact O-ND2 2.85Å; K248-N252 PolarHBondContact O-OD1 2.76Å; K248-E397 IonicContact NZ-OE1 3.78Å; K248-E397 PolarHBondContact NZ-OE1 3.31Å; K248-E397 IonicContact NZ-OE2 2.65Å; K248-E397 PolarHBondContact NZ-OE2 3.46Å
249	S	69.8	Low	63.4	Low	25 Å²	25	48 Å²	48	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-43.1	179.1	-57.9	0	0	0	0	112.1	Y200 H245 F246 W247 N252 V253	Y200-S249 WeakPolarHBondContact OH-CB 3.34Å; H245-S249 PolarHBondContact CE1-OG 2.56Å; H245-S249 PolarHBondContact ND1-OG 3.46Å; H245-S249 VanDerWaalsContact O-CB 3.23Å; H245-S249 WeakPolarHBondContact O-CB 3.19Å; H245-S249 PolarHBondContact O-N 2.68Å; H245-S249 PolarHBondContact O-OG 3.26Å; F246-S249 PolarHBondContact O-N 3.21Å; W247-S249 PolarHBondContact O-N 3.22Å; S249-N252 PolarHBondContact O-N 2.88Å; S249-V253 WeakPolarHBondContact O-CB 3.19Å; S249-V253 WeakPolarHBondContact O-CG2 3.42Å; S249-V253 PolarHBondContact O-N 2.86Å
250	F	71.8	Confident	61.8	Low	10 Å²	10	49.1 Å²	49.1	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-48	179.8	177.6	-107.3	0	0	0	111.7	M197 Y200 F246 W247 N252 V253 T254	M197-F250 HydrophobicContact CB-CE1 3.99Å; M197-F250 HydrophobicContact CB-CE2 3.85Å; M197-F250 HydrophobicContact CB-CZ 3.53Å; M197-F250 HydrophobicContact CG-CD1 4.24Å; M197-F250 HydrophobicContact CG-CD2 4.47Å; M197-F250 HydrophobicContact CG-CE1 3.97Å; M197-F250 HydrophobicContact CG-CE2 4.24Å; M197-F250 HydrophobicContact CG-CG 4.48Å; M197-F250 HydrophobicContact CG-CZ 3.98Å; M197-F250 HydrophobicContact SD-CE1 4.37Å; Y200-F250 HydrophobicContact CD1-CB 3.88Å; Y200-F250 AromaticContact CD1-CD2 3.71Å; Y200-F250 HydrophobicContact CD1-CD2 3.71Å; Y200-F250 HydrophobicContact CD1-CG 4.24Å; Y200-F250 HydrophobicContact CE1-CB 3.94Å; Y200-F250 HydrophobicContact CE1-CD2 4.49Å; Y200-F250 HydrophobicContact CG-CD2 4.02Å; F246-F250 HydrophobicContact CE1-CB 4.43Å; F246-F250 HydrophobicContact CZ-CB 4.46Å; F246-F250 WeakPolarHBondContact O-CB 3.31Å; F246-F250 PolarHBondContact O-N 2.91Å; W247-F250 PolarHBondContact O-N 3.04Å; F250-N252 VanDerWaalsContact C-N 3.34Å; F250-N252 PolarHBondContact O-N 3.1Å; F250-V253 PolarHBondContact O-N 3.11Å; F250-T254 HydrophobicContact CE1-CG2 4.44Å; F250-T254 HydrophobicContact CE2-CG2 4.5Å; F250-T254 HydrophobicContact CZ-CG2 4.24Å; F250-T254 PolarHBondContact O-N 2.83Å
251	W	70.9	Confident	60.3	Low	47 Å²	47	50.1 Å²	50.1	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-40.5	176.7	-72.8	-42.9	0	0	0	111.9	W247 V253 T254 E255 V365 A366 V488	W247-W251 HydrophobicContact CB-CE3 4.08Å; W247-W251 HydrophobicContact CB-CH2 4.36Å; W247-W251 HydrophobicContact CB-CZ3 3.88Å; W247-W251 HydrophobicContact CE3-CH2 4.49Å; W247-W251 HydrophobicContact CE3-CZ2 4.15Å; W247-W251 WeakPolarHBondContact O-CB 3.34Å; W247-W251 VanDerWaalsContact O-CE3 3.26Å; W247-W251 PolarHBondContact O-N 2.83Å; W251-V253 PolarHBondContact O-N 2.8Å; W251-T254 PolarHBondContact O-N 3.22Å; W251-T254 PolarHBondContact O-OG1 3.1Å; W251-E255 PolarHBondContact O-N 2.82Å; W251-V365 HydrophobicContact CE3-CG2 4.42Å; W251-V365 HydrophobicContact CZ3-CG2 3.8Å; W251-A366 HydrophobicContact CB-CB 3.98Å; W251-A366 HydrophobicContact CD2-CB 4.34Å; W251-A366 HydrophobicContact CE3-CB 3.69Å; W251-A366 HydrophobicContact CZ3-CB 4.49Å; W251-V488 HydrophobicContact CH2-CG1 3.37Å; W251-V488 HydrophobicContact CZ2-CG1 3.73Å
252	N	67.4	Low	59.1	Low	54 Å²	54	54.9 Å²	54.9	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-68.1	-32.9	174.9	-65.9	-4.3	0	0	0	112.5	K248 S249 F250 T254 E255 S256	K248-N252 VanDerWaalsContact O-CB 3.31Å; K248-N252 WeakPolarHBondContact O-CB 3.39Å; K248-N252 PolarHBondContact O-N 2.83Å; K248-N252 PolarHBondContact O-ND2 2.85Å; K248-N252 PolarHBondContact O-OD1 2.76Å; S249-N252 PolarHBondContact O-N 2.88Å; F250-N252 VanDerWaalsContact C-N 3.34Å; F250-N252 PolarHBondContact O-N 3.1Å; N252-T254 VanDerWaalsContact C-N 3.3Å; N252-T254 PolarHBondContact O-N 3.16Å; N252-E255 WeakPolarHBondContact O-CA 3.33Å; N252-E255 VanDerWaalsContact O-CB 3.28Å; N252-E255 WeakPolarHBondContact O-CB 3.22Å; N252-E255 PolarHBondContact O-N 2.78Å; N252-S256 PolarHBondContact O-N 3.06Å; N252-S256 PolarHBondContact O-OG 2.89Å
253	V	62	Low	58	Low	60 Å²	60	56.5 Å²	56.5	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-35.9	172.4	166.7	0	0	0	0	110.7	Y200 S249 F250 W251 E255 S256	Y200-V253 HydrophobicContact CE2-CG2 4.25Å; S249-V253 WeakPolarHBondContact O-CB 3.19Å; S249-V253 WeakPolarHBondContact O-CG2 3.42Å; S249-V253 PolarHBondContact O-N 2.86Å; F250-V253 PolarHBondContact O-N 3.11Å; W251-V253 PolarHBondContact O-N 2.8Å; V253-E255 PolarHBondContact O-N 2.92Å; V253-S256 WeakPolarHBondContact O-CB 3.24Å; V253-S256 PolarHBondContact O-N 3.39Å; V253-S256 PolarHBondContact O-OG 3.4Å
254	T	55.1	Low	57	Low	50 Å²	50	61.8 Å²	61.8	31%	0.307	32%	0.318	S	S	.	.	H	α-helix	trans	-67.5	-18.5	171.9	60.6	0	0	0	0	113.6	F250 W251 N252 L259	F250-T254 HydrophobicContact CE1-CG2 4.44Å; F250-T254 HydrophobicContact CE2-CG2 4.5Å; F250-T254 HydrophobicContact CZ-CG2 4.24Å; F250-T254 PolarHBondContact O-N 2.83Å; W251-T254 PolarHBondContact O-N 3.22Å; W251-T254 PolarHBondContact O-OG1 3.1Å; N252-T254 VanDerWaalsContact C-N 3.3Å; N252-T254 PolarHBondContact O-N 3.16Å; T254-L259 HydrophobicContact CG2-CD1 4.45Å
255	E	53.3	Low	56.1	Low	46 Å²	46	68.4 Å²	68.4	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-78.3	-19.6	169	-55.4	-173	129.3	0	0	113	W251 N252 V253 Q367 T368 S371	W251-E255 PolarHBondContact O-N 2.82Å; N252-E255 WeakPolarHBondContact O-CA 3.33Å; N252-E255 VanDerWaalsContact O-CB 3.28Å; N252-E255 WeakPolarHBondContact O-CB 3.22Å; N252-E255 PolarHBondContact O-N 2.78Å; V253-E255 PolarHBondContact O-N 2.92Å; E255-Q367 WeakPolarHBondContact OE1-CA 3.38Å; E255-T368 PolarHBondContact OE1-N 3.09Å; E255-T368 VanDerWaalsContact OE1-N 3.14Å; E255-T368 PolarHBondContact OE1-OG1 2.78Å; E255-S371 VanDerWaalsContact OE1-CB 3.26Å; E255-S371 WeakPolarHBondContact OE1-CB 3.39Å; E255-S371 PolarHBondContact OE1-OG 2.98Å
256	S	48	Very low	55.2	Low	60 Å²	60	66.4 Å²	66.4	42%	0.42	35%	0.354	S	S	.	.	S	Bend	trans	-68	147.2	-177.5	-59.8	0	0	0	0	111.5	N252 V253 I258 L259 S260	N252-S256 PolarHBondContact O-N 3.06Å; N252-S256 PolarHBondContact O-OG 2.89Å; V253-S256 WeakPolarHBondContact O-CB 3.24Å; V253-S256 PolarHBondContact O-N 3.39Å; V253-S256 PolarHBondContact O-OG 3.4Å; S256-I258 PolarHBondContact O-N 3.03Å; S256-L259 PolarHBondContact O-N 3.16Å; S256-S260 PolarHBondContact O-OG 3.21Å
257	D	41.7	Very low	54.6	Low	99 Å²	99	67.5 Å²	67.5	53%	0.529	36%	0.362	S	S	.	.	H	α-helix	trans	-54.7	-10.3	-163.5	-66.3	-50	0	0	0	116.9	S260 G261 R370	D257-S260 VanDerWaalsContact CA-OG 3.27Å; D257-S260 WeakPolarHBondContact CA-OG 3.32Å; D257-G261 WeakPolarHBondContact O-CA 3.43Å; D257-G261 PolarHBondContact O-N 2.92Å; D257-R370 IonicContact OD1-NH2 3.75Å; D257-R370 PolarHBondContact OD1-NH2 2.89Å; D257-R370 VanDerWaalsContact OD1-NH2 3.09Å
258	I	38.7	Very low	54.6	Low	123 Å²	123	68.9 Å²	68.9	63%	0.631	37%	0.37	S	S	*	.	H	α-helix	trans	-75.7	-38.7	-178.7	-58.3	174.5	0	0	0	112.2	S256	S256-I258 PolarHBondContact O-N 3.03Å
259	L	40.6	Very low	55.2	Low	79 Å²	79	72 Å²	72	41%	0.414	39%	0.393	S	S	.	.	H	α-helix	trans	-93.6	-38.6	177.7	-107.6	143.2	0	0	0	111.5	T254 S256 G261 F262	T254-L259 HydrophobicContact CG2-CD1 4.45Å; S256-L259 PolarHBondContact O-N 3.16Å; L259-G261 PolarHBondContact O-N 3.3Å; L259-F262 PolarHBondContact O-N 3.16Å
260	S	43.7	Very low	56.1	Low	31 Å²	31	71.7 Å²	71.7	22%	0.217	39%	0.391	C	S	.	.	H	α-helix	trans	-68	-23.4	174	61.3	0	0	0	0	112.6	S256 D257 F262 T263 R264	S256-S260 PolarHBondContact O-OG 3.21Å; D257-S260 VanDerWaalsContact CA-OG 3.27Å; D257-S260 WeakPolarHBondContact CA-OG 3.32Å; S260-F262 VanDerWaalsContact C-N 3.31Å; S260-F262 PolarHBondContact O-N 3.45Å; S260-T263 WeakPolarHBondContact CA-OG1 3.25Å; S260-T263 PolarHBondContact O-N 3.38Å; S260-T263 PolarHBondContact O-OG1 3.34Å; S260-R264 WeakPolarHBondContact O-CB 3.45Å; S260-R264 PolarHBondContact O-N 3.11Å
261	G	38.5	Very low	57	Low	30 Å²	30	74.3 Å²	74.3	31%	0.309	40%	0.403	S	S	.	.	H	α-helix	trans	-56	-38.1	173.8	0	0	0	0	0	114.2	D257 L259	D257-G261 WeakPolarHBondContact O-CA 3.43Å; D257-G261 PolarHBondContact O-N 2.92Å; L259-G261 PolarHBondContact O-N 3.3Å
262	F	41.2	Very low	57.9	Low	177 Å²	177	72.1 Å²	72.1	78%	0.776	40%	0.395	S	S	*	.	H	α-helix	trans	-70.8	-35.1	174.1	-85.2	-82.8	0	0	0	112.5	L259 S260	L259-F262 PolarHBondContact O-N 3.16Å; S260-F262 VanDerWaalsContact C-N 3.31Å; S260-F262 PolarHBondContact O-N 3.45Å
263	T	44.8	Very low	59.1	Low	57 Å²	57	70.5 Å²	70.5	35%	0.35	39%	0.386	S	S	.	.	H	α-helix	trans	-76.9	-28.4	178.9	64.3	0	0	0	0	113.3	S260 A266 S267 Q662	S260-T263 WeakPolarHBondContact CA-OG1 3.25Å; S260-T263 PolarHBondContact O-N 3.38Å; S260-T263 PolarHBondContact O-OG1 3.34Å; T263-A266 PolarHBondContact O-N 3.19Å; T263-S267 PolarHBondContact O-N 3.14Å; T263-S267 VanDerWaalsContact O-N 3.13Å; T263-Q662 PolarHBondContact O-OE1 2.97Å
264	R	47.5	Very low	60.5	Low	181 Å²	181	67.9 Å²	67.9	68%	0.683	37%	0.37	S	S	*	.	H	α-helix	trans	-69.3	-36.4	-177.7	-165	174.2	176.7	-176.9	-0.8	112.6	S260 A266 S267	S260-R264 WeakPolarHBondContact O-CB 3.45Å; S260-R264 PolarHBondContact O-N 3.11Å; R264-A266 PolarHBondContact O-N 2.94Å; R264-S267 PolarHBondContact O-N 2.86Å; R264-S267 PolarHBondContact O-OG 2.77Å
265	I	48.1	Very low	62.4	Low	155 Å²	155	67 Å²	67	80%	0.795	36%	0.364	S	S	*	.	H	α-helix	trans	-65	-29.3	176.1	-62.3	170.6	0	0	0	111.3
266	A	54	Low	64.4	Low	68 Å²	68	64.8 Å²	64.8	56%	0.562	35%	0.354	S	S	*	.	H	α-helix	trans	-91.5	-14	-179.9	0	0	0	0	0	114.2	T263 R264	T263-A266 PolarHBondContact O-N 3.19Å; R264-A266 PolarHBondContact O-N 2.94Å
267	S	63.8	Low	66.7	Low	22 Å²	22	62.9 Å²	62.9	15%	0.154	34%	0.34	C	S	.	.	S	Bend	trans	-78.9	145.7	-176.1	72.8	0	0	0	0	113.4	T263 R264	T263-S267 PolarHBondContact O-N 3.14Å; T263-S267 VanDerWaalsContact O-N 3.13Å; R264-S267 PolarHBondContact O-N 2.86Å; R264-S267 PolarHBondContact O-OG 2.77Å
268	N	73.6	Confident	69.3	Low	36 Å²	36	58.2 Å²	58.2	19%	0.193	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-66.4	128.7	176.7	-73.8	-70.6	0	0	0	110.9	R377 N378 K381	N268-R377 WeakPolarHBondContact O-CD 3.47Å; N268-R377 PolarHBondContact O-NH1 3.08Å; N268-N378 PolarHBondContact ND2-OD1 2.83Å; N268-K381 HydrophobicContact CB-CD 4.2Å; N268-K381 PolarHBondContact OD1-NZ 3.21Å
269	P	83.8	Confident	72	Confident	101 Å²	101	54.3 Å²	54.3	66%	0.656	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-62.3	146.5	169.3	28.1	-33.6	0	0	0	109.6	Y316	P269-Y316 WeakPolarHBondContact O-CD2 3.02Å; P269-Y316 VanDerWaalsContact O-CE2 3.26Å; P269-Y316 WeakPolarHBondContact O-CE2 3.36Å
270	V	88.8	Confident	74.6	Confident	20 Å²	20	52.6 Å²	52.6	12%	0.121	29%	0.291	C	S	.	.			trans	-129.3	150.9	178.6	-59.5	0	0	0	0	108.3	V272 N273 I314 S315 Y316 R377	V270-V272 VanDerWaalsContact CG2-O 3.28Å; V270-V272 WeakPolarHBondContact CG2-O 3.3Å; V270-N273 HydrophobicContact CG2-CB 3.95Å; V270-I314 HydrophobicContact CG1-CG2 4.14Å; V270-I314 HydrophobicContact CG2-CG2 4.27Å; V270-S315 WeakPolarHBondContact CB-O 3.08Å; V270-Y316 HydrophobicContact CG1-CD2 4.37Å; V270-R377 HydrophobicContact CG1-CB 3.87Å; V270-R377 HydrophobicContact CG1-CG 3.67Å
271	Q	90.6	Very high	77.1	Confident	65 Å²	65	57 Å²	57	30%	0.304	31%	0.309	S	S	.	.	S	Bend	trans	-81.3	-24.9	-179.1	-68.8	-179	17.8	0	0	113.3	S315 Y316 L318	Q271-S315 PolarHBondContact N-O 3.43Å; Q271-S315 VanDerWaalsContact N-O 3.16Å; Q271-Y316 WeakPolarHBondContact CB-O 3.33Å; Q271-Y316 VanDerWaalsContact CG-O 3.29Å; Q271-Y316 WeakPolarHBondContact CG-O 3.41Å; Q271-Y316 PolarHBondContact N-O 3.04Å; Q271-Y316 VanDerWaalsContact N-O 3.11Å; Q271-L318 HydrophobicContact CB-CB 4.18Å
272	V	91.2	Very high	79.9	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.5	176.5	-174.9	0	0	0	0	109.7	V270 L274 L313 I314 S315 L318 Q322	V270-V272 VanDerWaalsContact CG2-O 3.28Å; V270-V272 WeakPolarHBondContact CG2-O 3.3Å; V272-L274 HydrophobicContact CG1-CD1 3.9Å; V272-L274 HydrophobicContact CG1-CG 3.88Å; V272-L313 HydrophobicContact CG1-CD2 4.09Å; V272-L313 HydrophobicContact CG1-CG 4.13Å; V272-I314 CarbonylContact O-C 3.58Å; V272-I314 WeakPolarHBondContact O-CA 3.5Å; V272-S315 PolarHBondContact N-O 3.16Å; V272-S315 PolarHBondContact O-N 2.98Å; V272-L318 HydrophobicContact CG2-CB 4.44Å; V272-L318 HydrophobicContact CG2-CD1 3.59Å; V272-Q322 HydrophobicContact CG2-CB 4.24Å
273	N	92.6	Very high	82.5	Confident	19 Å²	19	51.1 Å²	51.1	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	87.8	168.1	-173.5	7	0	0	0	108.1	V270 R312 L313 E373 R377	V270-N273 HydrophobicContact CG2-CB 3.95Å; N273-R312 VanDerWaalsContact OD1-CD 3.3Å; N273-R312 WeakPolarHBondContact OD1-CD 3.35Å; N273-R312 WeakPolarHBondContact OD1-CG 3.47Å; N273-R312 PolarHBondContact OD1-NH1 3.33Å; N273-L313 CarbonylContact C-O 3.25Å; N273-L313 VanDerWaalsContact CA-O 3.23Å; N273-L313 WeakPolarHBondContact CA-O 3.15Å; N273-E373 PolarHBondContact ND2-OE1 3.43Å; N273-E373 PolarHBondContact ND2-OE2 3.35Å; N273-R377 PolarHBondContact ND2-NH2 3.4Å
274	L	91.9	Very high	85	Confident	6 Å²	6	53 Å²	53	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.2	-172.8	-63.4	175.1	0	0	0	110.4	V272 L276 R312 L313 L327 L328	V272-L274 HydrophobicContact CG1-CD1 3.9Å; V272-L274 HydrophobicContact CG1-CG 3.88Å; L274-L276 HydrophobicContact CB-CD2 4.09Å; L274-R312 CarbonylContact O-C 3.56Å; L274-R312 VanDerWaalsContact O-CA 3.28Å; L274-R312 WeakPolarHBondContact O-CA 3.41Å; L274-L313 PolarHBondContact N-O 3.07Å; L274-L313 PolarHBondContact O-N 3.12Å; L274-L327 HydrophobicContact CD1-CD2 4.01Å; L274-L328 HydrophobicContact CD1-CD2 4.32Å
275	T	93.9	Very high	87.4	Confident	30 Å²	30	44.8 Å²	44.8	18%	0.184	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.3	168.7	-49.1	0	0	0	0	108.3	M311 R312 S331	T275-M311 CarbonylContact C-O 3.6Å; T275-M311 WeakPolarHBondContact CA-O 3.36Å; T275-R312 PolarHBondContact OG1-NH2 3.34Å; T275-R312 VanDerWaalsContact OG1-NH2 3.09Å; T275-S331 WeakPolarHBondContact O-CA 3.3Å; T275-S331 PolarHBondContact O-OG 3.12Å
276	L	95.3	Very high	89.7	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.2	-179.5	-45.2	173.7	0	0	0	110.2	L274 H310 M311 L313 L327 F330 L388 W413 L421	L274-L276 HydrophobicContact CB-CD2 4.09Å; L276-H310 WeakPolarHBondContact O-CA 3.17Å; L276-M311 HydrophobicContact CB-CG 3.64Å; L276-M311 HydrophobicContact CB-SD 4.35Å; L276-M311 HydrophobicContact CD1-CG 4.04Å; L276-M311 HydrophobicContact CD1-SD 4.15Å; L276-M311 HydrophobicContact CG-CG 4.22Å; L276-M311 PolarHBondContact N-O 3.44Å; L276-M311 PolarHBondContact O-N 3Å; L276-L313 HydrophobicContact CD1-CB 4.18Å; L276-L327 HydrophobicContact CD1-CD1 3.8Å; L276-L327 HydrophobicContact CD2-CD1 3.88Å; L276-L327 HydrophobicContact CD2-CG 4.23Å; L276-F330 CarbonylContact C-O 3.56Å; L276-F330 WeakPolarHBondContact CA-O 3.47Å; L276-F330 HydrophobicContact CB-CB 4.31Å; L276-F330 HydrophobicContact CD2-CB 4.43Å; L276-L388 HydrophobicContact CD1-CD1 4.29Å; L276-W413 HydrophobicContact CD1-CH2 4.42Å; L276-L421 HydrophobicContact CD1-CD2 4.33Å
277	T	96.9	Very high	91.7	Very high	21 Å²	21	39.6 Å²	39.6	13%	0.129	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	103.3	174.3	-60.7	0	0	0	0	108.3	P308 H310 F330	T277-P308 HydrophobicContact CG2-CB 3.7Å; T277-P308 HydrophobicContact CG2-CG 4.31Å; T277-H310 PolarHBondContact OG1-ND1 2.95Å; T277-F330 PolarHBondContact N-O 3.15Å
278	V	96.1	Very high	93.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.2	-177.9	171.8	0	0	0	0	109.7	P308 V309 M311 Y409 W413	V278-P308 CarbonylContact O-C 3.53Å; V278-P308 WeakPolarHBondContact O-CA 3.37Å; V278-P308 WeakPolarHBondContact O-CB 3.43Å; V278-V309 PolarHBondContact N-O 3.21Å; V278-V309 PolarHBondContact O-N 3.49Å; V278-M311 HydrophobicContact CB-CE 3.76Å; V278-M311 HydrophobicContact CG2-CE 3.23Å; V278-M311 HydrophobicContact CG2-SD 3.85Å; V278-Y409 HydrophobicContact CG1-CE1 3.83Å; V278-W413 HydrophobicContact CG1-CD2 4.11Å; V278-W413 HydrophobicContact CG1-CG 3.8Å; V278-W413 HydrophobicContact CG2-CD2 3.78Å; V278-W413 HydrophobicContact CG2-CE3 4.12Å; V278-W413 HydrophobicContact CG2-CG 4.33Å; V278-W413 HydrophobicContact CG2-CH2 4.03Å; V278-W413 HydrophobicContact CG2-CZ2 3.67Å; V278-W413 HydrophobicContact CG2-CZ3 4.23Å
279	P	95.4	Very high	94.2	Very high	40 Å²	40	45 Å²	45	26%	0.26	27%	0.271	S	S	.	.			trans	-68.2	153.2	-179.1	29.5	-35.6	0	0	0	111.9	E281 F330 Y409	P279-E281 HydrophobicContact CB-CG 4.23Å; P279-E281 HydrophobicContact CG-CG 4.23Å; P279-E281 PolarHBondContact O-N 3.46Å; P279-F330 HydrophobicContact CG-CE1 4.21Å; P279-Y409 PolarHBondContact O-OH 3.05Å
280	P	95.5	Very high	94.7	Very high	43 Å²	43	43 Å²	43	28%	0.279	26%	0.255	S	S	.	.			trans	-79.1	66.6	179.5	32	-34.1	0	0	0	112.2	P299 P306 G307	P280-P299 HydrophobicContact CB-CB 3.63Å; P280-P299 HydrophobicContact CB-CG 4.34Å; P280-P299 WeakPolarHBondContact O-CG 3.45Å; P280-P306 HydrophobicContact CB-CB 3.78Å; P280-P306 HydrophobicContact CG-CB 4.11Å; P280-G307 WeakPolarHBondContact CB-O 3.28Å
281	E	95.9	Very high	94.9	Very high	124 Å²	124	47 Å²	47	58%	0.579	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-99.2	152	178.5	-65.5	-177.1	-177.1	0	0	111.4	P279 L283 Y409	P279-E281 HydrophobicContact CB-CG 4.23Å; P279-E281 HydrophobicContact CG-CG 4.23Å; P279-E281 PolarHBondContact O-N 3.46Å; E281-L283 PolarHBondContact O-N 3.44Å; E281-Y409 PolarHBondContact N-OH 3.24Å; E281-Y409 WeakPolarHBondContact O-CE2 3.41Å; E281-Y409 PolarHBondContact O-OH 3.48Å
282	S	96.4	Very high	95	Very high	77 Å²	77	49.6 Å²	49.6	54%	0.538	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-71.5	129.1	174.1	-65	0	0	0	0	110.3	V297	S282-V297 WeakPolarHBondContact CA-O 3.46Å
283	L	97.1	Very high	95.3	Very high	6 Å²	6	54 Å²	54	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.4	177.5	-51.7	173	0	0	0	110	E281 L285 S296 V297 Y409 C412 W413 K416	E281-L283 PolarHBondContact O-N 3.44Å; L283-L285 HydrophobicContact CB-CD1 3.8Å; L283-S296 CarbonylContact O-C 3.55Å; L283-S296 WeakPolarHBondContact O-CA 3.33Å; L283-V297 HydrophobicContact CB-CB 4.24Å; L283-V297 PolarHBondContact N-O 2.91Å; L283-V297 PolarHBondContact O-N 2.8Å; L283-Y409 HydrophobicContact CD1-CD2 3.99Å; L283-Y409 HydrophobicContact CD1-CE2 3.61Å; L283-Y409 HydrophobicContact CD2-CE2 4.47Å; L283-Y409 HydrophobicContact CG-CD2 4.45Å; L283-Y409 HydrophobicContact CG-CE2 3.69Å; L283-C412 HydrophobicContact CD1-CB 3.97Å; L283-W413 HydrophobicContact CD1-CB 3.9Å; L283-K416 HydrophobicContact CD2-CD 4.38Å
284	Q	97.3	Very high	95.4	Very high	98 Å²	98	56.7 Å²	56.7	46%	0.458	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.1	168.4	-66.6	-63.8	-26.9	0	0	107.3	S294 T295 S296	Q284-S294 PolarHBondContact OE1-OG 3.16Å; Q284-T295 PolarHBondContact OE1-O 3.14Å; Q284-S296 PolarHBondContact NE2-OG 3.26Å
285	L	97.1	Very high	95.6	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.1	177	-75.8	106.4	0	0	0	110.6	L283 S294 T295 V297 C412 L415 I452	L283-L285 HydrophobicContact CB-CD1 3.8Å; L285-S294 CarbonylContact O-C 3.44Å; L285-S294 WeakPolarHBondContact O-CA 3.23Å; L285-S294 WeakPolarHBondContact O-CB 3.25Å; L285-T295 PolarHBondContact N-O 3.18Å; L285-T295 PolarHBondContact O-N 3.33Å; L285-V297 HydrophobicContact CD1-CB 4.32Å; L285-V297 HydrophobicContact CD1-CG2 3.68Å; L285-C412 HydrophobicContact CD1-CB 3.68Å; L285-C412 HydrophobicContact CD2-CB 4.29Å; L285-L415 HydrophobicContact CD2-CB 4.01Å; L285-L415 HydrophobicContact CD2-CD1 4.16Å; L285-I452 HydrophobicContact CD2-CG2 4.4Å
286	P	96.6	Very high	95.7	Very high	75 Å²	75	59.6 Å²	59.6	49%	0.487	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	145.2	173.6	27.2	-33.5	0	0	0	111	P291 L293	P286-P291 HydrophobicContact CB-CB 4.43Å; P286-L293 CarbonylContact C-O 3.44Å; P286-L293 WeakPolarHBondContact CA-O 3.24Å
287	L	96.8	Very high	95.7	Very high	40 Å²	40	60 Å²	60	21%	0.209	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-69.9	142.2	171.5	-73.1	178.9	0	0	0	110.5	S289 D290 L293 T295 G451	L287-S289 VanDerWaalsContact C-N 3.26Å; L287-S289 PolarHBondContact O-N 3.33Å; L287-D290 CarbonylContact O-C 3.56Å; L287-D290 VanDerWaalsContact O-C 3.25Å; L287-D290 PolarHBondContact O-N 2.93Å; L287-L293 HydrophobicContact CB-CB 4.48Å; L287-L293 HydrophobicContact CD1-CB 3.76Å; L287-L293 HydrophobicContact CD1-CD1 4.28Å; L287-L293 HydrophobicContact CG-CB 4.28Å; L287-L293 PolarHBondContact N-O 2.87Å; L287-T295 HydrophobicContact CD2-CG2 3.96Å; L287-G451 WeakPolarHBondContact CA-O 3.45Å
288	A	94.2	Very high	95.7	Very high	64 Å²	64	63 Å²	63	53%	0.529	39%	0.39	S	S	.	.	S	Bend	trans	-65.5	-30.3	176.5	0	0	0	0	0	112.8	G451	A288-G451 PolarHBondContact N-O 3.07Å
289	S	94.4	Very high	95.7	Very high	107 Å²	107	63.8 Å²	63.8	75%	0.748	40%	0.395	S	S	*	.	S	Bend	trans	-77.9	-31.5	179.1	59.1	0	0	0	0	113	L287	L287-S289 VanDerWaalsContact C-N 3.26Å; L287-S289 PolarHBondContact O-N 3.33Å
290	D	94.4	Very high	95.7	Very high	60 Å²	60	62 Å²	62	32%	0.321	38%	0.383	S	S	.	.			trans	-151.3	105.2	-180	-175.3	-14.2	0	0	0	110	L287 T292 L293	L287-D290 CarbonylContact O-C 3.56Å; L287-D290 VanDerWaalsContact O-C 3.25Å; L287-D290 PolarHBondContact O-N 2.93Å; D290-T292 VanDerWaalsContact CG-OG1 3.22Å; D290-T292 PolarHBondContact O-N 3.37Å; D290-T292 VanDerWaalsContact O-N 3.08Å; D290-T292 WeakPolarHBondContact OD1-CB 3.28Å; D290-T292 WeakPolarHBondContact OD1-CG2 3.17Å; D290-T292 PolarHBondContact OD1-N 2.92Å; D290-T292 PolarHBondContact OD1-OG1 3.28Å; D290-T292 PolarHBondContact OD2-OG1 2.98Å; D290-L293 HydrophobicContact CB-CD1 4.24Å; D290-L293 HydrophobicContact CB-CG 4.32Å; D290-L293 PolarHBondContact O-N 3.47Å; D290-L293 VanDerWaalsContact O-N 3.09Å
291	P	92.5	Very high	95.8	Very high	102 Å²	102	63.2 Å²	63.2	66%	0.662	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.6	-179.3	-24.2	34.4	0	0	0	115.4	P286 L293	P286-P291 HydrophobicContact CB-CB 4.43Å; P291-L293 VanDerWaalsContact C-N 3.33Å
292	T	94.6	Very high	95.7	Very high	121 Å²	121	58 Å²	58	74%	0.742	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.2	176.4	71.2	0	0	0	0	112.8	D290	D290-T292 VanDerWaalsContact CG-OG1 3.22Å; D290-T292 PolarHBondContact O-N 3.37Å; D290-T292 VanDerWaalsContact O-N 3.08Å; D290-T292 WeakPolarHBondContact OD1-CB 3.28Å; D290-T292 WeakPolarHBondContact OD1-CG2 3.17Å; D290-T292 PolarHBondContact OD1-N 2.92Å; D290-T292 PolarHBondContact OD1-OG1 3.28Å; D290-T292 PolarHBondContact OD2-OG1 2.98Å
293	L	95.8	Very high	95.4	Very high	92 Å²	92	58.7 Å²	58.7	48%	0.482	36%	0.362	S	S	.	.	S	Bend	trans	-99	146.9	175	-61.2	179.3	0	0	0	109.9	P286 L287 D290 P291	P286-L293 CarbonylContact C-O 3.44Å; P286-L293 WeakPolarHBondContact CA-O 3.24Å; L287-L293 HydrophobicContact CB-CB 4.48Å; L287-L293 HydrophobicContact CD1-CB 3.76Å; L287-L293 HydrophobicContact CD1-CD1 4.28Å; L287-L293 HydrophobicContact CG-CB 4.28Å; L287-L293 PolarHBondContact N-O 2.87Å; D290-L293 HydrophobicContact CB-CD1 4.24Å; D290-L293 HydrophobicContact CB-CG 4.32Å; D290-L293 PolarHBondContact O-N 3.47Å; D290-L293 VanDerWaalsContact O-N 3.09Å; P291-L293 VanDerWaalsContact C-N 3.33Å
294	S	94.8	Very high	95.1	Very high	77 Å²	77	65.7 Å²	65.7	54%	0.538	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.8	177	67.1	0	0	0	0	112.5	Q284 L285	Q284-S294 PolarHBondContact OE1-OG 3.16Å; L285-S294 CarbonylContact O-C 3.44Å; L285-S294 WeakPolarHBondContact O-CA 3.23Å; L285-S294 WeakPolarHBondContact O-CB 3.25Å
295	T	95.9	Very high	94.9	Very high	37 Å²	37	62 Å²	62	23%	0.227	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.7	169.1	-169.9	0	0	0	0	110.1	Q284 L285 L287 I452	Q284-T295 PolarHBondContact OE1-O 3.14Å; L285-T295 PolarHBondContact N-O 3.18Å; L285-T295 PolarHBondContact O-N 3.33Å; L287-T295 HydrophobicContact CD2-CG2 3.96Å; T295-I452 HydrophobicContact CG2-CD1 4.31Å; T295-I452 HydrophobicContact CG2-CG1 3.83Å
296	S	96.2	Very high	94.7	Very high	60 Å²	60	65.8 Å²	65.8	42%	0.42	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.2	176.4	-167.5	0	0	0	0	110.3	L283 Q284	L283-S296 CarbonylContact O-C 3.55Å; L283-S296 WeakPolarHBondContact O-CA 3.33Å; Q284-S296 PolarHBondContact NE2-OG 3.26Å
297	V	96.7	Very high	94.5	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.042	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.3	171.4	-178.5	0	0	0	0	108.1	S282 L283 L285 F408 Y409 C412 I452	S282-V297 WeakPolarHBondContact CA-O 3.46Å; L283-V297 HydrophobicContact CB-CB 4.24Å; L283-V297 PolarHBondContact N-O 2.91Å; L283-V297 PolarHBondContact O-N 2.8Å; L285-V297 HydrophobicContact CD1-CB 4.32Å; L285-V297 HydrophobicContact CD1-CG2 3.68Å; V297-F408 HydrophobicContact CG1-CD1 4.31Å; V297-F408 HydrophobicContact CG1-CE1 3.84Å; V297-Y409 HydrophobicContact CG1-CD2 4.27Å; V297-C412 HydrophobicContact CG1-CB 4.3Å; V297-C412 HydrophobicContact CG2-CB 4.36Å; V297-I452 HydrophobicContact CG2-CD1 3.42Å; V297-I452 VanDerWaalsContact CG2-CD1 3.42Å
298	S	95.4	Very high	94.4	Very high	84 Å²	84	63.5 Å²	63.5	59%	0.587	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-68.6	149.2	174.7	-55	0	0	0	0	111
299	P	96.4	Very high	94.5	Very high	18 Å²	18	60.5 Å²	60.5	12%	0.117	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.1	160.4	170.9	28.8	-36.3	0	0	0	111.2	P280 V301 P306 Y409	P280-P299 HydrophobicContact CB-CB 3.63Å; P280-P299 HydrophobicContact CB-CG 4.34Å; P280-P299 WeakPolarHBondContact O-CG 3.45Å; P299-V301 WeakPolarHBondContact O-CG1 3.39Å; P299-V301 PolarHBondContact O-N 3.4Å; P299-P306 HydrophobicContact CB-CB 4.46Å; P299-P306 HydrophobicContact CG-CB 4.13Å; P299-Y409 HydrophobicContact CB-CE2 4.27Å
300	P	96.4	Very high	94.6	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.013	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-61.8	128	173.8	-21.1	34.6	0	0	0	110.7	P306 V309 E405 E406 Y409	P300-P306 VanDerWaalsContact O-CA 3.32Å; P300-P306 WeakPolarHBondContact O-CA 3.2Å; P300-V309 HydrophobicContact CG-CG2 3.87Å; P300-E405 HydrophobicContact CB-CB 3.82Å; P300-E405 HydrophobicContact CG-CB 4.39Å; P300-E406 HydrophobicContact CB-CG 3.61Å; P300-E406 HydrophobicContact CG-CB 4.25Å; P300-E406 HydrophobicContact CG-CG 3.62Å; P300-Y409 HydrophobicContact CG-CD1 4.46Å; P300-Y409 HydrophobicContact CG-CG 4.08Å
301	V	96.2	Very high	94.7	Very high	70 Å²	70	56.3 Å²	56.3	42%	0.424	33%	0.333	S	S	.	.			trans	-127	-14.3	-173.7	-69.1	0	0	0	0	113.8	P299 H303 G305 P306 E405	P299-V301 WeakPolarHBondContact O-CG1 3.39Å; P299-V301 PolarHBondContact O-N 3.4Å; V301-H303 PolarHBondContact O-N 3.04Å; V301-G305 VanDerWaalsContact O-CA 3.3Å; V301-G305 WeakPolarHBondContact O-CA 3.44Å; V301-G305 PolarHBondContact O-N 3.34Å; V301-P306 HydrophobicContact CG1-CB 4.5Å; V301-E405 PolarHBondContact N-OE2 3Å
302	A	93.8	Very high	94.9	Very high	13 Å²	13	52.6 Å²	52.6	11%	0.107	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.7	-177.1	0	0	0	0	0	112.2	W304 P401 R402 E405	A302-W304 PolarHBondContact O-N 3.49Å; A302-P401 HydrophobicContact CB-CG 4.01Å; A302-R402 HydrophobicContact CB-CB 4.14Å; A302-R402 WeakPolarHBondContact O-CD 3.41Å; A302-R402 PolarHBondContact O-NH1 3.42Å; A302-E405 WeakPolarHBondContact CB-OE2 3.49Å; A302-E405 PolarHBondContact N-OE2 3.31Å
303	H	92.1	Very high	95.1	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.426	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	-46.3	179.2	-49.8	-53.9	0	0	0	116.9	V301 P399 F400	V301-H303 PolarHBondContact O-N 3.04Å; H303-P399 PolarHBondContact CD2-O 2.96Å; H303-P399 WeakPolarHBondContact NE2-CD 3.48Å; H303-P399 WeakPolarHBondContact NE2-CG 3.45Å; H303-P399 PolarHBondContact NE2-O 3.47Å; H303-F400 PolarHBondContact NE2-O 3.17Å
304	W	90.6	Very high	95.1	Very high	153 Å²	153	42.5 Å²	42.5	58%	0.58	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.7	12.2	-169.3	-44.9	-49.7	0	0	0	115	A302 E397 A398	A302-W304 PolarHBondContact O-N 3.49Å; W304-E397 HydrophobicContact CH2-CB 3.69Å; W304-E397 WeakPolarHBondContact CH2-O 3.31Å; W304-E397 HydrophobicContact CZ2-CB 3.84Å; W304-E397 WeakPolarHBondContact CZ2-O 3.49Å; W304-A398 HydrophobicContact CH2-CB 3.65Å; W304-A398 HydrophobicContact CZ3-CB 3.81Å
305	G	92.2	Very high	95.2	Very high	22 Å²	22	38.9 Å²	38.9	23%	0.227	22%	0.223	C	C	.	.	S	Bend	trans	77.8	-171.3	-177.7	0	0	0	0	0	113.5	V301 G307 R402	V301-G305 VanDerWaalsContact O-CA 3.3Å; V301-G305 WeakPolarHBondContact O-CA 3.44Å; V301-G305 PolarHBondContact O-N 3.34Å; G305-G307 PolarHBondContact O-N 2.93Å; G305-R402 PolarHBondContact O-NH1 3.49Å
306	P	93.8	Very high	95.1	Very high	86 Å²	86	40.5 Å²	40.5	56%	0.558	23%	0.225	S	C	*	.	S	Bend	trans	-61.6	121.3	-175.3	24.3	-32	0	0	0	110.9	P280 P299 P300 V301	P280-P306 HydrophobicContact CB-CB 3.78Å; P280-P306 HydrophobicContact CG-CB 4.11Å; P299-P306 HydrophobicContact CB-CB 4.46Å; P299-P306 HydrophobicContact CG-CB 4.13Å; P300-P306 VanDerWaalsContact O-CA 3.32Å; P300-P306 WeakPolarHBondContact O-CA 3.2Å; V301-P306 HydrophobicContact CG1-CB 4.5Å
307	G	90.9	Very high	94.9	Very high	12 Å²	12	38.8 Å²	38.8	12%	0.124	21%	0.212	C	C	.	.			trans	-135	153.7	177.8	0	0	0	0	0	112	P280 G305	P280-G307 WeakPolarHBondContact CB-O 3.28Å; G305-G307 PolarHBondContact O-N 2.93Å
308	P	94.7	Very high	94.8	Very high	55 Å²	55	38.7 Å²	38.7	36%	0.357	21%	0.211	S	C	.	.			trans	-62.7	153	-179.6	29.7	-35.8	0	0	0	111.3	T277 V278	T277-P308 HydrophobicContact CG2-CB 3.7Å; T277-P308 HydrophobicContact CG2-CG 4.31Å; V278-P308 CarbonylContact O-C 3.53Å; V278-P308 WeakPolarHBondContact O-CA 3.37Å; V278-P308 WeakPolarHBondContact O-CB 3.43Å
309	V	96.9	Very high	94.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.5	173.5	-179	0	0	0	0	109.2	V278 P300 M311 V390 E406 Y409 A410	V278-V309 PolarHBondContact N-O 3.21Å; V278-V309 PolarHBondContact O-N 3.49Å; P300-V309 HydrophobicContact CG-CG2 3.87Å; V309-M311 HydrophobicContact CB-CE 4.46Å; V309-M311 HydrophobicContact CG1-CE 4.14Å; V309-V390 HydrophobicContact CG1-CG1 4.05Å; V309-E406 HydrophobicContact CG1-CB 4.43Å; V309-E406 HydrophobicContact CG2-CB 4.23Å; V309-E406 HydrophobicContact CG2-CG 4.09Å; V309-Y409 HydrophobicContact CB-CD1 4.27Å; V309-Y409 HydrophobicContact CG2-CD1 3.61Å; V309-Y409 HydrophobicContact CG2-CE1 4.15Å; V309-Y409 HydrophobicContact CG2-CG 4.47Å; V309-A410 HydrophobicContact CG1-CB 4.12Å
310	H	97.2	Very high	94.7	Very high	78 Å²	78	39.6 Å²	39.6	36%	0.361	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	143.3	178.4	-59.5	-70.4	0	0	0	110.4	L276 T277 D391	L276-H310 WeakPolarHBondContact O-CA 3.17Å; T277-H310 PolarHBondContact OG1-ND1 2.95Å; H310-D391 HydrophobicContact CB-CB 3.83Å; H310-D391 PolarHBondContact O-N 2.91Å
311	M	96.8	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	163.9	179.9	61.1	-167.5	74	0	0	110.7	T275 L276 V278 V309 L388 S389 A410 W413	T275-M311 CarbonylContact C-O 3.6Å; T275-M311 WeakPolarHBondContact CA-O 3.36Å; L276-M311 HydrophobicContact CB-CG 3.64Å; L276-M311 HydrophobicContact CB-SD 4.35Å; L276-M311 HydrophobicContact CD1-CG 4.04Å; L276-M311 HydrophobicContact CD1-SD 4.15Å; L276-M311 HydrophobicContact CG-CG 4.22Å; L276-M311 PolarHBondContact N-O 3.44Å; L276-M311 PolarHBondContact O-N 3Å; V278-M311 HydrophobicContact CB-CE 3.76Å; V278-M311 HydrophobicContact CG2-CE 3.23Å; V278-M311 HydrophobicContact CG2-SD 3.85Å; V309-M311 HydrophobicContact CB-CE 4.46Å; V309-M311 HydrophobicContact CG1-CE 4.14Å; M311-L388 HydrophobicContact CB-CD1 4.18Å; M311-L388 HydrophobicContact CB-CG 4.48Å; M311-L388 HydrophobicContact CG-CD1 3.94Å; M311-L388 HydrophobicContact SD-CD1 3.75Å; M311-L388 HydrophobicContact SD-CD2 3.96Å; M311-L388 HydrophobicContact SD-CG 4.21Å; M311-S389 CarbonylContact C-O 3.55Å; M311-S389 VanDerWaalsContact CA-O 3.22Å; M311-S389 WeakPolarHBondContact CA-O 3.5Å; M311-S389 WeakPolarHBondContact CB-O 3.45Å; M311-A410 HydrophobicContact CE-CB 4.43Å; M311-W413 HydrophobicContact CE-CE3 4.21Å; M311-W413 HydrophobicContact SD-CE3 3.87Å; M311-W413 HydrophobicContact SD-CH2 4.44Å; M311-W413 HydrophobicContact SD-CZ3 3.67Å
312	R	96.9	Very high	94.4	Very high	25 Å²	25	37.3 Å²	37.3	9%	0.094	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.3	177.6	-178	176.4	-68	-77.9	-10.6	110.3	N273 L274 T275 I314 S369 E373 L388 S389	N273-R312 VanDerWaalsContact OD1-CD 3.3Å; N273-R312 WeakPolarHBondContact OD1-CD 3.35Å; N273-R312 WeakPolarHBondContact OD1-CG 3.47Å; N273-R312 PolarHBondContact OD1-NH1 3.33Å; L274-R312 CarbonylContact O-C 3.56Å; L274-R312 VanDerWaalsContact O-CA 3.28Å; L274-R312 WeakPolarHBondContact O-CA 3.41Å; T275-R312 PolarHBondContact OG1-NH2 3.34Å; T275-R312 VanDerWaalsContact OG1-NH2 3.09Å; R312-I314 HydrophobicContact CG-CD1 4.33Å; R312-I314 HydrophobicContact CG-CG1 3.94Å; R312-S369 VanDerWaalsContact CB-OG 3.32Å; R312-S369 WeakPolarHBondContact CB-OG 3.4Å; R312-S369 PolarHBondContact NE-OG 3.47Å; R312-S369 VanDerWaalsContact NE-OG 3.12Å; R312-E373 IonicContact NH1-OE2 2.79Å; R312-L388 WeakPolarHBondContact O-CA 3.49Å; R312-S389 PolarHBondContact N-O 3.21Å; R312-S389 PolarHBondContact O-N 3.45Å
313	L	97.5	Very high	94.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.7	173	178.1	62.5	0	0	0	109.9	V272 N273 L274 L276 Q322 L327 P386 L388 L421	V272-L313 HydrophobicContact CG1-CD2 4.09Å; V272-L313 HydrophobicContact CG1-CG 4.13Å; N273-L313 CarbonylContact C-O 3.25Å; N273-L313 VanDerWaalsContact CA-O 3.23Å; N273-L313 WeakPolarHBondContact CA-O 3.15Å; L274-L313 PolarHBondContact N-O 3.07Å; L274-L313 PolarHBondContact O-N 3.12Å; L276-L313 HydrophobicContact CD1-CB 4.18Å; L313-Q322 HydrophobicContact CD2-CG 4.25Å; L313-L327 HydrophobicContact CD2-CD2 3.84Å; L313-P386 HydrophobicContact CD1-CB 4.32Å; L313-L388 HydrophobicContact CB-CD1 4.33Å; L313-L421 HydrophobicContact CD1-CB 4.33Å; L313-L421 HydrophobicContact CD1-CD2 4.23Å; L313-L421 HydrophobicContact CD2-CD2 4.18Å
314	I	96.3	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.2	177.8	-55.4	171.6	0	0	0	108.6	V270 V272 R312 E373 L376 R377 V387	V270-I314 HydrophobicContact CG1-CG2 4.14Å; V270-I314 HydrophobicContact CG2-CG2 4.27Å; V272-I314 CarbonylContact O-C 3.58Å; V272-I314 WeakPolarHBondContact O-CA 3.5Å; R312-I314 HydrophobicContact CG-CD1 4.33Å; R312-I314 HydrophobicContact CG-CG1 3.94Å; I314-E373 HydrophobicContact CD1-CG 4.13Å; I314-L376 HydrophobicContact CD1-CB 3.89Å; I314-L376 HydrophobicContact CD1-CD1 4.15Å; I314-R377 HydrophobicContact CG2-CG 4.23Å; I314-V387 HydrophobicContact CB-CB 4.35Å; I314-V387 PolarHBondContact N-O 3.2Å; I314-V387 PolarHBondContact O-N 2.71Å
315	S	96.1	Very high	94.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	122.3	173.5	-161.8	0	0	0	0	110.7	V270 Q271 V272 D317 Q322 S380	V270-S315 WeakPolarHBondContact CB-O 3.08Å; Q271-S315 PolarHBondContact N-O 3.43Å; Q271-S315 VanDerWaalsContact N-O 3.16Å; V272-S315 PolarHBondContact N-O 3.16Å; V272-S315 PolarHBondContact O-N 2.98Å; S315-D317 VanDerWaalsContact C-N 3.35Å; S315-D317 WeakPolarHBondContact CB-O 3.29Å; S315-D317 PolarHBondContact O-N 3.18Å; S315-D317 PolarHBondContact OG-O 3.02Å; S315-Q322 PolarHBondContact OG-NE2 2.93Å; S315-S380 WeakPolarHBondContact CA-OG 3.36Å
316	Y	94.5	Very high	94.2	Very high	72 Å²	72	40.9 Å²	40.9	28%	0.282	21%	0.214	S	C	.	.	S	Bend	trans	-58.3	-47.9	176.8	-177.2	-103.7	0	0	0	111.6	P269 V270 Q271 S380 K381	P269-Y316 WeakPolarHBondContact O-CD2 3.02Å; P269-Y316 VanDerWaalsContact O-CE2 3.26Å; P269-Y316 WeakPolarHBondContact O-CE2 3.36Å; V270-Y316 HydrophobicContact CG1-CD2 4.37Å; Q271-Y316 WeakPolarHBondContact CB-O 3.33Å; Q271-Y316 VanDerWaalsContact CG-O 3.29Å; Q271-Y316 WeakPolarHBondContact CG-O 3.41Å; Q271-Y316 PolarHBondContact N-O 3.04Å; Q271-Y316 VanDerWaalsContact N-O 3.11Å; Y316-S380 PolarHBondContact N-OG 3.42Å; Y316-K381 HydrophobicContact CD1-CB 4.26Å; Y316-K381 HydrophobicContact CD1-CG 3.97Å; Y316-K381 HydrophobicContact CD2-CB 3.57Å; Y316-K381 HydrophobicContact CD2-CD 4.02Å; Y316-K381 HydrophobicContact CD2-CG 3.67Å; Y316-K381 HydrophobicContact CE1-CG 3.93Å; Y316-K381 HydrophobicContact CE2-CB 4.06Å; Y316-K381 HydrophobicContact CE2-CD 3.6Å; Y316-K381 HydrophobicContact CE2-CG 3.65Å; Y316-K381 HydrophobicContact CG-CB 3.68Å; Y316-K381 HydrophobicContact CG-CG 3.84Å
317	D	92.6	Very high	94.2	Very high	24 Å²	24	36.8 Å²	36.8	13%	0.128	19%	0.187	C	C	.	.	S	Bend	trans	-101.7	140.4	172.3	-58.8	-75.6	0	0	0	110.4	S315 R319 K349 S384	S315-D317 VanDerWaalsContact C-N 3.35Å; S315-D317 WeakPolarHBondContact CB-O 3.29Å; S315-D317 PolarHBondContact O-N 3.18Å; S315-D317 PolarHBondContact OG-O 3.02Å; D317-R319 PolarHBondContact O-N 3.22Å; D317-K349 HydrophobicContact CB-CD 3.73Å; D317-K349 HydrophobicContact CB-CG 4.23Å; D317-K349 VanDerWaalsContact CG-CE 3.41Å; D317-K349 WeakPolarHBondContact OD1-CE 3.38Å; D317-K349 IonicContact OD1-NZ 3.56Å; D317-K349 PolarHBondContact OD1-NZ 3.02Å; D317-K349 WeakPolarHBondContact OD2-CE 3.36Å; D317-K349 IonicContact OD2-NZ 3.64Å; D317-K349 PolarHBondContact OD2-NZ 2.93Å; D317-S384 PolarHBondContact OD2-OG 3.48Å
318	L	93.8	Very high	94.1	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	20%	0.198	C	C	.	.			trans	-66.4	126.8	167.4	179.3	65.1	0	0	0	109.4	Q271 V272 Q322 D323 V346 K348 K349	Q271-L318 HydrophobicContact CB-CB 4.18Å; V272-L318 HydrophobicContact CG2-CB 4.44Å; V272-L318 HydrophobicContact CG2-CD1 3.59Å; L318-Q322 HydrophobicContact CD1-CB 3.95Å; L318-D323 HydrophobicContact CD1-CB 4.34Å; L318-V346 HydrophobicContact CD2-CG1 4.2Å; L318-K348 HydrophobicContact CD2-CG 3.98Å; L318-K348 HydrophobicContact CG-CG 4.25Å; L318-K349 PolarHBondContact O-N 2.76Å
319	R	95.2	Very high	94	Very high	18 Å²	18	39.9 Å²	39.9	7%	0.068	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-115.3	155.6	178.6	-64.9	177.9	174	-82.6	1.1	111.2	D317 G321 Q322 K349 P350 S384 G422	D317-R319 PolarHBondContact O-N 3.22Å; R319-G321 PolarHBondContact O-N 3.28Å; R319-Q322 HydrophobicContact CB-CG 4.36Å; R319-Q322 WeakPolarHBondContact O-CB 3.36Å; R319-Q322 PolarHBondContact O-N 2.65Å; R319-Q322 VanDerWaalsContact O-N 3.16Å; R319-K349 CarbonylContact C-O 3.54Å; R319-K349 VanDerWaalsContact CA-O 3.25Å; R319-K349 WeakPolarHBondContact CA-O 3.49Å; R319-K349 HydrophobicContact CG-CB 4.09Å; R319-P350 PolarHBondContact NH1-O 2.83Å; R319-S384 PolarHBondContact NH2-O 3.09Å; R319-S384 PolarHBondContact NH2-OG 2.7Å; R319-S384 VanDerWaalsContact NH2-OG 3.11Å; R319-G422 VanDerWaalsContact CD-O 3.22Å; R319-G422 WeakPolarHBondContact CD-O 3.22Å
320	E	94.7	Very high	93.7	Very high	103 Å²	103	41.8 Å²	41.8	48%	0.481	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	135.9	173	-69.2	176.5	-168.9	0	0	111.5	K349 P351 G422	E320-K349 PolarHBondContact N-O 3.46Å; E320-P351 HydrophobicContact CB-CG 4.12Å; E320-G422 WeakPolarHBondContact O-CA 3.34Å
321	G	91.6	Very high	93.2	Very high	23 Å²	23	39.5 Å²	39.5	24%	0.237	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-28.6	-176.4	0	0	0	0	0	114.8	R319 D323 S324 L420	R319-G321 PolarHBondContact O-N 3.28Å; G321-D323 VanDerWaalsContact C-N 3.27Å; G321-D323 PolarHBondContact O-N 2.91Å; G321-S324 VanDerWaalsContact O-CB 3.29Å; G321-S324 WeakPolarHBondContact O-CB 3.24Å; G321-S324 PolarHBondContact O-N 2.93Å; G321-S324 PolarHBondContact O-OG 2.9Å; G321-L420 CarbonylContact C-O 3.45Å
322	Q	93.9	Very high	91.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.7	-173.3	-62.8	-179.4	-33.3	0	0	115	V272 L313 S315 L318 R319 L327 L421	V272-Q322 HydrophobicContact CG2-CB 4.24Å; L313-Q322 HydrophobicContact CD2-CG 4.25Å; S315-Q322 PolarHBondContact OG-NE2 2.93Å; L318-Q322 HydrophobicContact CD1-CB 3.95Å; R319-Q322 HydrophobicContact CB-CG 4.36Å; R319-Q322 WeakPolarHBondContact O-CB 3.36Å; R319-Q322 PolarHBondContact O-N 2.65Å; R319-Q322 VanDerWaalsContact O-N 3.16Å; Q322-L327 HydrophobicContact CB-CD2 4.42Å; Q322-L327 WeakPolarHBondContact O-CD2 3.36Å; Q322-L421 PolarHBondContact NE2-O 3.37Å
323	D	89.4	Confident	89.9	Confident	40 Å²	40	48.9 Å²	48.9	21%	0.214	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	14.9	172.7	71.7	-35.5	0	0	0	112.7	L318 G321 K348	L318-D323 HydrophobicContact CD1-CB 4.34Å; G321-D323 VanDerWaalsContact C-N 3.27Å; G321-D323 PolarHBondContact O-N 2.91Å; D323-K348 IonicContact OD1-NZ 3.42Å; D323-K348 PolarHBondContact OD1-NZ 3.22Å; D323-K348 WeakPolarHBondContact OD2-CE 3.35Å; D323-K348 IonicContact OD2-NZ 3.77Å; D323-K348 PolarHBondContact OD2-NZ 3.38Å
324	S	91.3	Very high	87.4	Confident	31 Å²	31	54.3 Å²	54.3	22%	0.217	31%	0.312	C	S	.	.			trans	-66.1	146.8	176	62.9	0	0	0	0	111.5	G321 E326 L327 L328	G321-S324 VanDerWaalsContact O-CB 3.29Å; G321-S324 WeakPolarHBondContact O-CB 3.24Å; G321-S324 PolarHBondContact O-N 2.93Å; G321-S324 PolarHBondContact O-OG 2.9Å; S324-E326 PolarHBondContact O-N 3.13Å; S324-L327 PolarHBondContact O-N 2.98Å; S324-L327 WeakPolarHBondContact OG-CB 3.41Å; S324-L327 PolarHBondContact OG-N 3.34Å; S324-L328 VanDerWaalsContact O-CG 3.3Å; S324-L328 WeakPolarHBondContact O-CG 3.21Å; S324-L328 PolarHBondContact O-N 2.88Å
325	E	89.9	Confident	84.8	Confident	178 Å²	178	59 Å²	59	83%	0.832	35%	0.351	S	S	*	.	H	α-helix	trans	-59.1	-33.3	173.8	-66.4	-174.1	167.4	0	0	111.7	L328 G329	E325-L328 PolarHBondContact O-N 3.38Å; E325-G329 PolarHBondContact O-N 3.11Å
326	E	93.4	Very high	82.3	Confident	106 Å²	106	61.4 Å²	61.4	50%	0.495	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-50.9	176.3	-174.5	178.2	175.8	0	0	112.1	S324 L328 G329 F330 L420	S324-E326 PolarHBondContact O-N 3.13Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.48Å; E326-G329 PolarHBondContact O-N 3.33Å; E326-F330 HydrophobicContact CG-CE2 4.42Å; E326-F330 WeakPolarHBondContact O-CD2 3.44Å; E326-L420 HydrophobicContact CB-CD2 4.19Å; E326-L420 HydrophobicContact CG-CD1 3.93Å; E326-L420 HydrophobicContact CG-CD2 4.17Å
327	L	93.6	Very high	80	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-62.6	-44	176.7	-178.8	71.6	0	0	0	111.3	L274 L276 L313 Q322 S324 G329 F330 L420 L421	L274-L327 HydrophobicContact CD1-CD2 4.01Å; L276-L327 HydrophobicContact CD1-CD1 3.8Å; L276-L327 HydrophobicContact CD2-CD1 3.88Å; L276-L327 HydrophobicContact CD2-CG 4.23Å; L313-L327 HydrophobicContact CD2-CD2 3.84Å; Q322-L327 HydrophobicContact CB-CD2 4.42Å; Q322-L327 WeakPolarHBondContact O-CD2 3.36Å; S324-L327 PolarHBondContact O-N 2.98Å; S324-L327 WeakPolarHBondContact OG-CB 3.41Å; S324-L327 PolarHBondContact OG-N 3.34Å; L327-G329 PolarHBondContact O-N 2.93Å; L327-F330 PolarHBondContact O-N 3.3Å; L327-L420 HydrophobicContact CB-CB 4.34Å; L327-L420 HydrophobicContact CD1-CB 4.08Å; L327-L420 WeakPolarHBondContact CD2-O 3.34Å; L327-L421 HydrophobicContact CD1-CD2 4.4Å
328	L	90.5	Very high	78	Confident	65 Å²	65	61.6 Å²	61.6	34%	0.34	38%	0.381	S	S	.	.	H	α-helix	trans	-63.3	-26.5	179.6	-67.6	174.6	0	0	0	112	L274 S324 E325 E326 F330 S331 I338	L274-L328 HydrophobicContact CD1-CD2 4.32Å; S324-L328 VanDerWaalsContact O-CG 3.3Å; S324-L328 WeakPolarHBondContact O-CG 3.21Å; S324-L328 PolarHBondContact O-N 2.88Å; E325-L328 PolarHBondContact O-N 3.38Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.48Å; L328-F330 PolarHBondContact O-N 2.83Å; L328-S331 WeakPolarHBondContact O-CB 3.33Å; L328-S331 PolarHBondContact O-N 2.91Å; L328-I338 HydrophobicContact CD2-CD1 4.41Å
329	G	91.1	Very high	75.7	Confident	67 Å²	67	64.7 Å²	64.7	69%	0.691	41%	0.407	S	S	*	.	H	α-helix	trans	-61	-25.6	171.4	0	0	0	0	0	114.2	E325 E326 L327	E325-G329 PolarHBondContact O-N 3.11Å; E326-G329 PolarHBondContact O-N 3.33Å; L327-G329 PolarHBondContact O-N 2.93Å
330	F	92	Very high	73.1	Confident	40 Å²	40	67.1 Å²	67.1	18%	0.175	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-11.3	173.1	-60.9	-70.2	0	0	0	113.2	L276 T277 P279 E326 L327 L328 W413 L420	L276-F330 CarbonylContact C-O 3.56Å; L276-F330 WeakPolarHBondContact CA-O 3.47Å; L276-F330 HydrophobicContact CB-CB 4.31Å; L276-F330 HydrophobicContact CD2-CB 4.43Å; T277-F330 PolarHBondContact N-O 3.15Å; P279-F330 HydrophobicContact CG-CE1 4.21Å; E326-F330 HydrophobicContact CG-CE2 4.42Å; E326-F330 WeakPolarHBondContact O-CD2 3.44Å; L327-F330 PolarHBondContact O-N 3.3Å; L328-F330 PolarHBondContact O-N 2.83Å; F330-W413 HydrophobicContact CD2-CZ2 4.2Å; F330-W413 HydrophobicContact CE2-CZ2 4.07Å; F330-W413 HydrophobicContact CZ-CZ2 4.37Å; F330-L420 HydrophobicContact CE2-CD1 4.23Å
331	S	85.9	Confident	70.8	Confident	31 Å²	31	65.2 Å²	65.2	22%	0.217	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-84.8	126.2	-177.2	-175.1	0	0	0	0	111.4	T275 L328	T275-S331 WeakPolarHBondContact O-CA 3.3Å; T275-S331 PolarHBondContact O-OG 3.12Å; L328-S331 WeakPolarHBondContact O-CB 3.33Å; L328-S331 PolarHBondContact O-N 2.91Å
332	Q	67.8	Low	68.8	Low	133 Å²	133	75 Å²	75	62%	0.621	45%	0.453	S	S	*	.			trans	-100.5	130.5	174.8	-69.3	-155	1.1	0	0	112.4	D334	Q332-D334 VanDerWaalsContact C-N 3.27Å; Q332-D334 PolarHBondContact O-N 2.98Å
333	G	56.5	Low	67.1	Low	88 Å²	88	78.1 Å²	78.1	91%	0.907	47%	0.469	S	S	*	.	S	Bend	trans	69.6	-26	145.9	0	0	0	0	0	120.4
334	D	44.3	Very low	65.5	Low	114 Å²	114	82.1 Å²	82.1	61%	0.61	50%	0.498	S	S	*	.			trans	-83.4	122.2	175.9	-79.5	-28	0	0	0	110	Q332 A336	Q332-D334 VanDerWaalsContact C-N 3.27Å; Q332-D334 PolarHBondContact O-N 2.98Å; D334-A336 PolarHBondContact O-N 3.27Å
335	A	43.4	Very low	64.1	Low	98 Å²	98	89.6 Å²	89.6	81%	0.81	52%	0.521	S	S	*	.			trans	-55.9	116.9	167.4	0	0	0	0	0	108.2	P337	A335-P337 WeakPolarHBondContact O-CD 3.44Å
336	A	43.6	Very low	63.1	Low	52 Å²	52	83.3 Å²	83.3	43%	0.43	50%	0.495	S	S	.	.			trans	-42.4	120.9	-179.4	0	0	0	0	0	112.2	D334 I338	D334-A336 PolarHBondContact O-N 3.27Å; A336-I338 HydrophobicContact CB-CB 3.99Å; A336-I338 HydrophobicContact CB-CD1 3.74Å; A336-I338 HydrophobicContact CB-CG1 3.7Å; A336-I338 PolarHBondContact O-N 3.31Å; A336-I338 VanDerWaalsContact O-N 3.15Å
337	P	44.8	Very low	62.5	Low	78 Å²	78	86.6 Å²	86.6	51%	0.506	51%	0.511	S	S	.	.			trans	-79.4	42	147	36.3	-30.7	0	0	0	108.3	A335 A339	A335-P337 WeakPolarHBondContact O-CD 3.44Å; P337-A339 VanDerWaalsContact C-N 3.3Å; P337-A339 PolarHBondContact O-N 2.63Å; P337-A339 VanDerWaalsContact O-N 3.14Å
338	I	50.4	Low	62.3	Low	23 Å²	23	91.1 Å²	91.1	12%	0.118	53%	0.53	C	S	.	.			trans	-67.5	109.7	149.1	-56.2	160.3	0	0	0	101.6	L328 A336 S340 P341	L328-I338 HydrophobicContact CD2-CD1 4.41Å; A336-I338 HydrophobicContact CB-CB 3.99Å; A336-I338 HydrophobicContact CB-CD1 3.74Å; A336-I338 HydrophobicContact CB-CG1 3.7Å; A336-I338 PolarHBondContact O-N 3.31Å; A336-I338 VanDerWaalsContact O-N 3.15Å; I338-S340 PolarHBondContact O-N 2.79Å; I338-P341 HydrophobicContact CB-CG 4.38Å; I338-P341 HydrophobicContact CD1-CG 4.27Å; I338-P341 HydrophobicContact CG2-CB 3.77Å; I338-P341 HydrophobicContact CG2-CG 3.67Å
339	A	45.8	Very low	62.5	Low	70 Å²	70	91.7 Å²	91.7	58%	0.579	53%	0.53	S	S	*	.			trans	-52	100	161.2	0	0	0	0	0	105.6	P337	P337-A339 VanDerWaalsContact C-N 3.3Å; P337-A339 PolarHBondContact O-N 2.63Å; P337-A339 VanDerWaalsContact O-N 3.14Å
340	S	41.9	Very low	62.7	Low	68 Å²	68	92.4 Å²	92.4	48%	0.476	52%	0.522	S	S	.	.			trans	-5.2	109.4	-167.6	-76.3	0	0	0	0	114.9	I338 R342 L343	I338-S340 PolarHBondContact O-N 2.79Å; S340-R342 PolarHBondContact O-N 2.81Å; S340-L343 PolarHBondContact O-N 2.83Å
341	P	45.3	Very low	63	Low	64 Å²	64	92.5 Å²	92.5	42%	0.416	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	4.1	176.3	29.1	-27.1	0	0	0	112.2	I338	I338-P341 HydrophobicContact CB-CG 4.38Å; I338-P341 HydrophobicContact CD1-CG 4.27Å; I338-P341 HydrophobicContact CG2-CB 3.77Å; I338-P341 HydrophobicContact CG2-CG 3.67Å
342	R	49.6	Very low	63.5	Low	229 Å²	229	91.1 Å²	91.1	86%	0.864	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	1.6	179.4	-60.8	-173	-175.9	-172.2	1.2	113.4	S340 P344	S340-R342 PolarHBondContact O-N 2.81Å; R342-P344 WeakPolarHBondContact O-CD 3.48Å
343	L	57.7	Low	65	Low	65 Å²	65	87.1 Å²	87.1	34%	0.34	50%	0.503	S	S	.	.	S	Bend	trans	-83.9	119.1	173.8	-70.1	173.7	0	0	0	108.7	S340 W345 V346	S340-L343 PolarHBondContact O-N 2.83Å; L343-W345 HydrophobicContact CB-CD2 3.89Å; L343-W345 VanDerWaalsContact CB-CE2 3.49Å; L343-W345 HydrophobicContact CB-CE3 4.42Å; L343-W345 HydrophobicContact CB-CG 4.35Å; L343-W345 HydrophobicContact CB-CH2 4.32Å; L343-W345 HydrophobicContact CB-CZ2 3.77Å; L343-W345 HydrophobicContact CD1-CZ2 3.58Å; L343-W345 HydrophobicContact CD2-CH2 3.29Å; L343-W345 HydrophobicContact CD2-CZ2 3.15Å; L343-W345 HydrophobicContact CD2-CZ3 4.1Å; L343-W345 HydrophobicContact CG-CH2 4.21Å; L343-W345 HydrophobicContact CG-CZ2 3.63Å; L343-W345 PolarHBondContact O-N 2.85Å; L343-V346 HydrophobicContact CB-CG2 4.28Å; L343-V346 PolarHBondContact O-N 2.93Å; L343-V346 VanDerWaalsContact O-N 3.16Å
344	P	57	Low	67	Low	125 Å²	125	86.2 Å²	86.2	81%	0.812	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	0.3	-173.6	23.5	-33.4	0	0	0	115	R342	R342-P344 WeakPolarHBondContact O-CD 3.48Å
345	W	62.5	Low	69.5	Low	187 Å²	187	80.8 Å²	80.8	71%	0.708	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-3.6	179.3	51.8	82.3	0	0	0	114.9	L343 Q347	L343-W345 HydrophobicContact CB-CD2 3.89Å; L343-W345 VanDerWaalsContact CB-CE2 3.49Å; L343-W345 HydrophobicContact CB-CE3 4.42Å; L343-W345 HydrophobicContact CB-CG 4.35Å; L343-W345 HydrophobicContact CB-CH2 4.32Å; L343-W345 HydrophobicContact CB-CZ2 3.77Å; L343-W345 HydrophobicContact CD1-CZ2 3.58Å; L343-W345 HydrophobicContact CD2-CH2 3.29Å; L343-W345 HydrophobicContact CD2-CZ2 3.15Å; L343-W345 HydrophobicContact CD2-CZ3 4.1Å; L343-W345 HydrophobicContact CG-CH2 4.21Å; L343-W345 HydrophobicContact CG-CZ2 3.63Å; L343-W345 PolarHBondContact O-N 2.85Å; W345-Q347 PolarHBondContact O-N 3.08Å
346	V	68.7	Low	72.2	Confident	46 Å²	46	76.1 Å²	76.1	28%	0.279	40%	0.404	S	S	.	.			trans	-83.3	100.6	175.2	-178.2	0	0	0	0	109.2	L318 L343	L318-V346 HydrophobicContact CD2-CG1 4.2Å; L343-V346 HydrophobicContact CB-CG2 4.28Å; L343-V346 PolarHBondContact O-N 2.93Å; L343-V346 VanDerWaalsContact O-N 3.16Å
347	Q	80.1	Confident	74.8	Confident	176 Å²	176	73.6 Å²	73.6	82%	0.822	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-81.5	119.1	179.1	-169.3	176.2	9.9	0	0	110.7	W345	W345-Q347 PolarHBondContact O-N 3.08Å
348	K	88.7	Confident	77.4	Confident	94 Å²	94	69.9 Å²	69.9	41%	0.409	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-70.3	136.6	173.6	-57	-176.4	-167.6	-175.1	0	110.2	L318 D323	L318-K348 HydrophobicContact CD2-CG 3.98Å; L318-K348 HydrophobicContact CG-CG 4.25Å; D323-K348 IonicContact OD1-NZ 3.42Å; D323-K348 PolarHBondContact OD1-NZ 3.22Å; D323-K348 WeakPolarHBondContact OD2-CE 3.35Å; D323-K348 IonicContact OD2-NZ 3.77Å; D323-K348 PolarHBondContact OD2-NZ 3.38Å
349	K	94.6	Very high	79.7	Confident	78 Å²	78	68.8 Å²	68.8	34%	0.339	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-82.4	153.9	168.5	-74.4	-167.4	-178.8	174.4	0	110.6	D317 L318 R319 E320	D317-K349 HydrophobicContact CB-CD 3.73Å; D317-K349 HydrophobicContact CB-CG 4.23Å; D317-K349 VanDerWaalsContact CG-CE 3.41Å; D317-K349 WeakPolarHBondContact OD1-CE 3.38Å; D317-K349 IonicContact OD1-NZ 3.56Å; D317-K349 PolarHBondContact OD1-NZ 3.02Å; D317-K349 WeakPolarHBondContact OD2-CE 3.36Å; D317-K349 IonicContact OD2-NZ 3.64Å; D317-K349 PolarHBondContact OD2-NZ 2.93Å; L318-K349 PolarHBondContact O-N 2.76Å; R319-K349 CarbonylContact C-O 3.54Å; R319-K349 VanDerWaalsContact CA-O 3.25Å; R319-K349 WeakPolarHBondContact CA-O 3.49Å; R319-K349 HydrophobicContact CG-CB 4.09Å; E320-K349 PolarHBondContact N-O 3.46Å
350	P	96.7	Very high	82.1	Confident	82 Å²	82	65.5 Å²	65.5	53%	0.532	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-61.2	164.3	170	27.6	-35.7	0	0	0	111.1	R319 S352	R319-P350 PolarHBondContact NH1-O 2.83Å; P350-S352 PolarHBondContact O-N 3.25Å
351	P	97.4	Very high	84.6	Confident	42 Å²	42	62.3 Å²	62.3	27%	0.273	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-54.9	139	172.8	-24.5	35.3	0	0	0	111.4	E320 G422 T424	E320-P351 HydrophobicContact CB-CG 4.12Å; P351-G422 WeakPolarHBondContact CA-O 3.49Å; P351-T424 HydrophobicContact CB-CG2 3.96Å
352	S	97.6	Very high	86.7	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.8	173.1	173.2	0	0	0	0	109.8	P350 W354 G422 S423 T424	P350-S352 PolarHBondContact O-N 3.25Å; S352-W354 WeakPolarHBondContact CB-O 3.43Å; S352-W354 PolarHBondContact O-N 3.16Å; S352-W354 VanDerWaalsContact O-N 3.13Å; S352-W354 PolarHBondContact OG-N 2.93Å; S352-W354 PolarHBondContact OG-O 3.38Å; S352-G422 PolarHBondContact N-O 3.08Å; S352-S423 CarbonylContact O-C 3.54Å; S352-S423 WeakPolarHBondContact O-CA 3.4Å; S352-S423 PolarHBondContact O-OG 3.14Å; S352-S423 VanDerWaalsContact O-OG 3.07Å; S352-T424 PolarHBondContact O-N 3.5Å
353	P	97.7	Very high	88.6	Confident	49 Å²	49	49.6 Å²	49.6	32%	0.318	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-16.5	168.6	27	-32.9	0	0	0	112.4	T424 E426 R427	P353-T424 WeakPolarHBondContact CA-OG1 3.39Å; P353-E426 HydrophobicContact CB-CB 4.33Å; P353-E426 WeakPolarHBondContact O-CA 3.35Å; P353-E426 VanDerWaalsContact O-CB 3.3Å; P353-E426 WeakPolarHBondContact O-CB 3.34Å; P353-E426 PolarHBondContact O-N 3.22Å; P353-R427 PolarHBondContact O-N 3.42Å
354	W	98.3	Very high	90.4	Very high	68 Å²	68	46.8 Å²	46.8	26%	0.258	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.2	-171.1	-49.8	-30.5	0	0	0	111.8	S352 V385 S423 R427 F682	S352-W354 WeakPolarHBondContact CB-O 3.43Å; S352-W354 PolarHBondContact O-N 3.16Å; S352-W354 VanDerWaalsContact O-N 3.13Å; S352-W354 PolarHBondContact OG-N 2.93Å; S352-W354 PolarHBondContact OG-O 3.38Å; W354-V385 HydrophobicContact CB-CG1 4.31Å; W354-V385 HydrophobicContact CB-CG2 3.81Å; W354-V385 HydrophobicContact CD2-CG2 4.4Å; W354-V385 HydrophobicContact CE3-CG2 3.63Å; W354-S423 PolarHBondContact O-OG 2.93Å; W354-R427 CarbonylContact C-O 3.54Å; W354-R427 VanDerWaalsContact CA-O 3.29Å; W354-R427 WeakPolarHBondContact CA-O 3.5Å; W354-F682 HydrophobicContact CB-CD1 3.66Å; W354-F682 HydrophobicContact CB-CD2 4.17Å; W354-F682 HydrophobicContact CB-CE1 3.73Å; W354-F682 HydrophobicContact CB-CE2 4.22Å; W354-F682 HydrophobicContact CB-CG 3.9Å; W354-F682 HydrophobicContact CB-CZ 4.02Å; W354-F682 HydrophobicContact CD2-CB 3.53Å; W354-F682 HydrophobicContact CD2-CD1 4.26Å; W354-F682 HydrophobicContact CD2-CD2 4.08Å; W354-F682 AromaticContact CD2-CG 3.72Å; W354-F682 HydrophobicContact CD2-CG 3.72Å; W354-F682 HydrophobicContact CE3-CB 3.84Å; W354-F682 AromaticContact CE3-CD2 3.87Å; W354-F682 HydrophobicContact CE3-CD2 3.87Å; W354-F682 AromaticContact CE3-CG 3.97Å; W354-F682 HydrophobicContact CE3-CG 3.97Å; W354-F682 HydrophobicContact CG-CB 3.86Å; W354-F682 AromaticContact CG-CD1 3.71Å; W354-F682 HydrophobicContact CG-CD1 3.71Å; W354-F682 HydrophobicContact CG-CD2 4.22Å; W354-F682 HydrophobicContact CG-CE1 4.3Å; W354-F682 AromaticContact CG-CG 3.67Å; W354-F682 HydrophobicContact CG-CG 3.67Å; W354-F682 HydrophobicContact CH2-CB 4.34Å; W354-F682 HydrophobicContact CZ2-CB 4.06Å; W354-F682 HydrophobicContact CZ3-CB 4.24Å; W354-F682 PolarHBondContact NE1-O 3.16Å
355	L	98.7	Very high	91.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.6	172.3	-177.5	62.9	0	0	0	109.5	I357 P386 A414 L421 A425 R427 V428 C429	L355-I357 HydrophobicContact CD2-CD1 4.04Å; L355-I357 HydrophobicContact CD2-CG1 4.03Å; L355-I357 HydrophobicContact CG-CG1 4.06Å; L355-P386 HydrophobicContact CD1-CB 4.49Å; L355-P386 HydrophobicContact CD1-CG 4.12Å; L355-A414 HydrophobicContact CD2-CB 4.19Å; L355-L421 HydrophobicContact CD1-CB 4.32Å; L355-L421 HydrophobicContact CD1-CD1 4.23Å; L355-L421 HydrophobicContact CD2-CD1 4.12Å; L355-A425 HydrophobicContact CB-CB 4.5Å; L355-A425 HydrophobicContact CD2-CB 4.5Å; L355-R427 PolarHBondContact N-O 2.97Å; L355-V428 HydrophobicContact CB-CG2 4.42Å; L355-V428 WeakPolarHBondContact O-CA 3.17Å; L355-C429 PolarHBondContact O-N 2.94Å
356	L	98.9	Very high	93	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120	170.7	-173.9	64.8	0	0	0	108.8	W379 V385 P386 V387 L388 C429 A431 I678 F682	L356-W379 HydrophobicContact CD2-CE3 4.1Å; L356-V385 HydrophobicContact CB-CG1 3.94Å; L356-P386 PolarHBondContact N-O 2.99Å; L356-V387 HydrophobicContact CB-CG2 4.21Å; L356-V387 HydrophobicContact CD2-CG1 4.15Å; L356-V387 HydrophobicContact CD2-CG2 3.91Å; L356-V387 HydrophobicContact CG-CG1 4.36Å; L356-V387 CarbonylContact O-C 3.56Å; L356-V387 WeakPolarHBondContact O-CA 3.42Å; L356-L388 PolarHBondContact O-N 3.42Å; L356-C429 HydrophobicContact CD1-CB 3.74Å; L356-A431 HydrophobicContact CD1-CB 3.66Å; L356-A431 HydrophobicContact CG-CB 4.33Å; L356-I678 HydrophobicContact CD1-CD1 4.25Å; L356-I678 HydrophobicContact CD1-CG1 4.38Å; L356-I678 HydrophobicContact CD1-CG2 3.97Å; L356-I678 HydrophobicContact CD2-CD1 4.18Å; L356-F682 HydrophobicContact CB-CZ 4.36Å; L356-F682 HydrophobicContact CD1-CZ 4.45Å
357	I	98.9	Very high	93.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.6	173.6	-59.8	169.3	0	0	0	107.6	L355 F359 L388 V390 Y411 A414 V428 C429 L430 A431	L355-I357 HydrophobicContact CD2-CD1 4.04Å; L355-I357 HydrophobicContact CD2-CG1 4.03Å; L355-I357 HydrophobicContact CG-CG1 4.06Å; I357-F359 HydrophobicContact CG2-CE1 3.81Å; I357-F359 HydrophobicContact CG2-CZ 4.05Å; I357-L388 CarbonylContact C-O 3.57Å; I357-L388 WeakPolarHBondContact CA-O 3.5Å; I357-V390 HydrophobicContact CG2-CG2 4.5Å; I357-Y411 HydrophobicContact CD1-CD2 3.69Å; I357-Y411 HydrophobicContact CD1-CE2 4.28Å; I357-A414 HydrophobicContact CD1-CB 3.75Å; I357-A414 HydrophobicContact CG1-CB 4.43Å; I357-V428 HydrophobicContact CD1-CG1 3.84Å; I357-V428 HydrophobicContact CG1-CG1 4.32Å; I357-C429 PolarHBondContact N-O 2.86Å; I357-L430 HydrophobicContact CB-CD2 3.67Å; I357-L430 HydrophobicContact CD1-CD2 4.27Å; I357-L430 HydrophobicContact CG1-CD2 4.49Å; I357-L430 HydrophobicContact CG2-CD2 4.01Å; I357-L430 CarbonylContact O-C 3.51Å; I357-L430 WeakPolarHBondContact O-CA 3.48Å; I357-A431 PolarHBondContact O-N 2.91Å
358	H	98.8	Very high	94.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.5	-172.4	175.8	-100.4	0	0	0	111.9	Y375 L376 V387 L388 S389 V390 A431 D433	H358-Y375 PolarHBondContact CE1-OH 3.49Å; H358-Y375 VanDerWaalsContact CE1-OH 3.26Å; H358-Y375 AromaticContact NE2-CZ 3.8Å; H358-Y375 PolarHBondContact NE2-OH 3.37Å; H358-L376 HydrophobicContact CB-CD2 4.21Å; H358-V387 HydrophobicContact CB-CG1 4.19Å; H358-L388 PolarHBondContact N-O 2.99Å; H358-S389 PolarHBondContact ND1-OG 3.07Å; H358-S389 CarbonylContact O-C 3.51Å; H358-S389 WeakPolarHBondContact O-CA 3.07Å; H358-V390 PolarHBondContact O-N 3.17Å; H358-A431 CarbonylContact C-O 3.6Å; H358-A431 WeakPolarHBondContact CA-O 3.41Å; H358-A431 PolarHBondContact CD2-O 3.17Å; H358-D433 IonicContact NE2-OD1 3.03Å
359	F	98.8	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	167.6	-50.8	-44	0	0	0	108.4	I357 V390 C407 L430 A431 G432 G436 L439 C440 V443	I357-F359 HydrophobicContact CG2-CE1 3.81Å; I357-F359 HydrophobicContact CG2-CZ 4.05Å; F359-V390 HydrophobicContact CD1-CB 3.97Å; F359-V390 HydrophobicContact CD1-CG2 3.84Å; F359-V390 HydrophobicContact CE1-CB 4.22Å; F359-V390 HydrophobicContact CE1-CG2 3.64Å; F359-C407 HydrophobicContact CD1-CB 3.99Å; F359-C407 HydrophobicContact CE1-CB 3.66Å; F359-C407 HydrophobicContact CE2-CB 4.28Å; F359-C407 HydrophobicContact CG-CB 4.47Å; F359-C407 HydrophobicContact CZ-CB 3.82Å; F359-L430 HydrophobicContact CE2-CD1 4.14Å; F359-L430 HydrophobicContact CE2-CD2 4.44Å; F359-L430 HydrophobicContact CZ-CD2 4.37Å; F359-A431 PolarHBondContact N-O 2.99Å; F359-G432 WeakPolarHBondContact O-CA 3.3Å; F359-G436 VanDerWaalsContact O-CA 3.3Å; F359-G436 WeakPolarHBondContact O-CA 3.22Å; F359-L439 HydrophobicContact CB-CB 4.13Å; F359-L439 HydrophobicContact CB-CD1 4.43Å; F359-L439 HydrophobicContact CD2-CB 3.78Å; F359-L439 HydrophobicContact CG-CB 4.14Å; F359-C440 HydrophobicContact CD2-CB 4.39Å; F359-C440 VanDerWaalsContact CD2-SG 3.6Å; F359-V443 HydrophobicContact CE2-CB 4.17Å; F359-V443 HydrophobicContact CE2-CG1 4.43Å; F359-V443 HydrophobicContact CE2-CG2 3.87Å; F359-V443 HydrophobicContact CZ-CG1 4.39Å; F359-V443 HydrophobicContact CZ-CG2 4.06Å
360	H	97.1	Very high	93.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.128	C	C	.	.			trans	-79.3	160.1	-173	67.6	79.3	0	0	0	113.4	Q367 V390 Y392 G436	H360-Q367 PolarHBondContact CE1-O 3.16Å; H360-V390 PolarHBondContact CD2-O 2.98Å; H360-V390 VanDerWaalsContact CD2-O 3.22Å; H360-Y392 AromaticContact CD2-CE1 3.83Å; H360-Y392 AromaticContact CE1-CE1 3.8Å; H360-Y392 AromaticContact CE1-CZ 3.54Å; H360-Y392 AromaticContact ND1-CZ 3.88Å; H360-Y392 AromaticContact NE2-CD1 3.98Å; H360-Y392 AromaticContact NE2-CE1 3.68Å; H360-Y392 AromaticContact NE2-CZ 3.85Å; H360-Y392 PolarHBondContact O-OH 3.23Å; H360-G436 WeakPolarHBondContact O-CA 3.12Å; H360-G436 PolarHBondContact O-N 3.09Å; H360-G436 VanDerWaalsContact O-N 3.13Å
361	G	93.4	Very high	92.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.			trans	-74.4	-158	170.2	0	0	0	0	0	113.9	H372 D433	G361-H372 PolarHBondContact N-NE2 3.09Å; G361-D433 WeakPolarHBondContact CA-O 3.2Å; G361-D433 PolarHBondContact N-O 3.05Å; G361-D433 PolarHBondContact N-OD1 3.08Å
362	G	89	Confident	92.3	Very high	11 Å²	11	19.1 Å²	19.1	11%	0.113	10%	0.099	C	C	.	.	S	Bend	trans	102.3	22.7	178.6	0	0	0	0	0	114.8	F364 V365 A366	G362-F364 PolarHBondContact O-N 3.13Å; G362-F364 VanDerWaalsContact O-N 3.09Å; G362-V365 WeakPolarHBondContact O-CG2 3.4Å; G362-V365 PolarHBondContact O-N 3.22Å; G362-A366 PolarHBondContact O-N 3.29Å; G362-A366 VanDerWaalsContact O-N 3.09Å
363	G	90.8	Very high	91.8	Very high	15 Å²	15	20.3 Å²	20.3	16%	0.155	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	26.6	170.5	0	0	0	0	0	114.4	V365 C492	G363-V365 PolarHBondContact O-N 3.31Å; G363-V365 VanDerWaalsContact O-N 3.11Å; G363-C492 WeakPolarHBondContact O-CB 3.39Å
364	F	94.2	Very high	91.1	Very high	6 Å²	6	19 Å²	19	3%	0.026	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	1.7	-172.7	-47.7	-86.6	0	0	0	115.6	G362 L394 S395 A435 N438 L439 L467 Y496	G362-F364 PolarHBondContact O-N 3.13Å; G362-F364 VanDerWaalsContact O-N 3.09Å; F364-L394 CarbonylContact O-C 3.57Å; F364-L394 WeakPolarHBondContact O-CA 3.4Å; F364-S395 PolarHBondContact O-N 3.45Å; F364-A435 HydrophobicContact CD1-CB 3.93Å; F364-A435 HydrophobicContact CD2-CB 3.7Å; F364-A435 HydrophobicContact CE1-CB 3.79Å; F364-A435 HydrophobicContact CE2-CB 3.51Å; F364-A435 HydrophobicContact CG-CB 3.9Å; F364-A435 HydrophobicContact CZ-CB 3.58Å; F364-N438 HydrophobicContact CZ-CB 3.99Å; F364-L439 HydrophobicContact CD1-CD1 4.45Å; F364-L439 HydrophobicContact CE1-CD1 4.17Å; F364-L439 HydrophobicContact CE1-CD2 4.3Å; F364-L439 HydrophobicContact CE1-CG 3.99Å; F364-L467 HydrophobicContact CD2-CD2 4.46Å; F364-L467 HydrophobicContact CE2-CD2 3.74Å; F364-L467 HydrophobicContact CZ-CD2 4.3Å; F364-Y496 HydrophobicContact CB-CD2 3.52Å; F364-Y496 HydrophobicContact CB-CE2 4.12Å; F364-Y496 HydrophobicContact CB-CG 3.96Å; F364-Y496 HydrophobicContact CD1-CD1 4.44Å; F364-Y496 AromaticContact CD1-CD2 3.69Å; F364-Y496 HydrophobicContact CD1-CD2 3.69Å; F364-Y496 HydrophobicContact CD1-CE1 4.25Å; F364-Y496 AromaticContact CD1-CE2 3.46Å; F364-Y496 HydrophobicContact CD1-CE2 3.46Å; F364-Y496 VanDerWaalsContact CD1-CE2 3.46Å; F364-Y496 HydrophobicContact CD1-CG 4.17Å; F364-Y496 AromaticContact CD1-CZ 3.75Å; F364-Y496 HydrophobicContact CD2-CD1 4.05Å; F364-Y496 HydrophobicContact CD2-CD2 4.1Å; F364-Y496 AromaticContact CD2-CG 3.81Å; F364-Y496 HydrophobicContact CD2-CG 3.81Å; F364-Y496 HydrophobicContact CE1-CD1 4.47Å; F364-Y496 HydrophobicContact CE1-CD2 4.4Å; F364-Y496 HydrophobicContact CE1-CE1 4Å; F364-Y496 AromaticContact CE1-CE2 3.94Å; F364-Y496 HydrophobicContact CE1-CE2 3.94Å; F364-Y496 AromaticContact CE1-CZ 3.7Å; F364-Y496 HydrophobicContact CE2-CD1 4.14Å; F364-Y496 HydrophobicContact CE2-CE1 4.34Å; F364-Y496 HydrophobicContact CE2-CG 4.37Å; F364-Y496 HydrophobicContact CG-CD1 4.22Å; F364-Y496 AromaticContact CG-CD2 3.5Å; F364-Y496 HydrophobicContact CG-CD2 3.5Å; F364-Y496 VanDerWaalsContact CG-CD2 3.5Å; F364-Y496 HydrophobicContact CG-CE1 4.48Å; F364-Y496 AromaticContact CG-CE2 3.81Å; F364-Y496 HydrophobicContact CG-CE2 3.81Å; F364-Y496 AromaticContact CG-CG 3.71Å; F364-Y496 HydrophobicContact CG-CG 3.71Å; F364-Y496 HydrophobicContact CZ-CD1 4.32Å; F364-Y496 HydrophobicContact CZ-CE1 4.05Å
365	V	89.2	Confident	90.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-17.9	-170.2	-63.7	0	0	0	0	114.3	L244 W251 G362 G363 S395 A495	L244-V365 HydrophobicContact CD1-CB 4.33Å; L244-V365 HydrophobicContact CD1-CG1 4.18Å; L244-V365 HydrophobicContact CD1-CG2 4.27Å; L244-V365 HydrophobicContact CD2-CG1 4.41Å; W251-V365 HydrophobicContact CE3-CG2 4.42Å; W251-V365 HydrophobicContact CZ3-CG2 3.8Å; G362-V365 WeakPolarHBondContact O-CG2 3.4Å; G362-V365 PolarHBondContact O-N 3.22Å; G363-V365 PolarHBondContact O-N 3.31Å; G363-V365 VanDerWaalsContact O-N 3.11Å; V365-S395 VanDerWaalsContact CA-O 3.24Å; V365-S395 WeakPolarHBondContact CA-O 3.3Å; V365-S395 WeakPolarHBondContact CB-O 3.27Å; V365-A495 HydrophobicContact CG1-CB 3.62Å
366	A	86.2	Confident	90.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-146.2	176.4	-174.9	0	0	0	0	0	110.8	W251 G362	W251-A366 HydrophobicContact CB-CB 3.98Å; W251-A366 HydrophobicContact CD2-CB 4.34Å; W251-A366 HydrophobicContact CE3-CB 3.69Å; W251-A366 HydrophobicContact CZ3-CB 4.49Å; G362-A366 PolarHBondContact O-N 3.29Å; G362-A366 VanDerWaalsContact O-N 3.09Å
367	Q	84.5	Confident	90.3	Very high	40 Å²	40	17.3 Å²	17.3	19%	0.187	9%	0.088	C	C	.	.			trans	71.8	164.9	177.4	-53.7	-172.3	-67.1	0	0	115.6	E255 H360 H372	E255-Q367 WeakPolarHBondContact OE1-CA 3.38Å; H360-Q367 PolarHBondContact CE1-O 3.16Å; Q367-H372 PolarHBondContact OE1-CE1 3.5Å
368	T	87.5	Confident	90	Very high	47 Å²	47	18.6 Å²	18.6	29%	0.288	10%	0.095	S	C	.	.			trans	-143.4	171.8	179.7	60.5	0	0	0	0	111.5	E255 R370 S371 H372	E255-T368 PolarHBondContact OE1-N 3.09Å; E255-T368 VanDerWaalsContact OE1-N 3.14Å; E255-T368 PolarHBondContact OE1-OG1 2.78Å; T368-R370 PolarHBondContact O-N 3.43Å; T368-R370 VanDerWaalsContact O-N 3.16Å; T368-R370 PolarHBondContact OG1-N 3.42Å; T368-S371 PolarHBondContact N-OG 2.91Å; T368-S371 PolarHBondContact O-N 3.37Å; T368-S371 VanDerWaalsContact O-N 3.11Å; T368-S371 PolarHBondContact O-OG 3.38Å; T368-H372 PolarHBondContact O-ND1 3.45Å
369	S	87.3	Confident	89.9	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.007	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-33.7	167.7	66.7	0	0	0	0	113.1	R312 H372 E373 S389 D391	R312-S369 VanDerWaalsContact CB-OG 3.32Å; R312-S369 WeakPolarHBondContact CB-OG 3.4Å; R312-S369 PolarHBondContact NE-OG 3.47Å; R312-S369 VanDerWaalsContact NE-OG 3.12Å; S369-H372 PolarHBondContact O-N 3.39Å; S369-E373 PolarHBondContact O-N 3.37Å; S369-S389 WeakPolarHBondContact CB-OG 3.38Å; S369-D391 WeakPolarHBondContact CA-OD1 3.48Å; S369-D391 WeakPolarHBondContact CB-OD1 3.46Å; S369-D391 PolarHBondContact N-OD1 3.24Å; S369-D391 PolarHBondContact OG-OD1 3.27Å; S369-D391 PolarHBondContact OG-OD2 2.91Å
370	R	85.2	Confident	89.8	Confident	133 Å²	133	18.6 Å²	18.6	50%	0.502	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-39.7	179.6	-176.5	175.3	175.1	176.2	-6	112	D257 T368 H372 E373	D257-R370 IonicContact OD1-NH2 3.75Å; D257-R370 PolarHBondContact OD1-NH2 2.89Å; D257-R370 VanDerWaalsContact OD1-NH2 3.09Å; T368-R370 PolarHBondContact O-N 3.43Å; T368-R370 VanDerWaalsContact O-N 3.16Å; T368-R370 PolarHBondContact OG1-N 3.42Å; R370-H372 VanDerWaalsContact C-N 3.28Å; R370-H372 PolarHBondContact O-N 3.41Å; R370-E373 WeakPolarHBondContact O-CB 3.41Å; R370-E373 PolarHBondContact O-N 2.91Å
371	S	79.5	Confident	89.7	Confident	28 Å²	28	22.5 Å²	22.5	20%	0.196	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.6	-179.8	63.7	0	0	0	0	113.7	E255 T368	E255-S371 VanDerWaalsContact OE1-CB 3.26Å; E255-S371 WeakPolarHBondContact OE1-CB 3.39Å; E255-S371 PolarHBondContact OE1-OG 2.98Å; T368-S371 PolarHBondContact N-OG 2.91Å; T368-S371 PolarHBondContact O-N 3.37Å; T368-S371 VanDerWaalsContact O-N 3.11Å; T368-S371 PolarHBondContact O-OG 3.38Å
372	H	87.6	Confident	89.8	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-1.1	-179.6	-63.4	76.5	0	0	0	112.4	G361 Q367 T368 S369 R370 N374 Y375 L376 D433	G361-H372 PolarHBondContact N-NE2 3.09Å; Q367-H372 PolarHBondContact OE1-CE1 3.5Å; T368-H372 PolarHBondContact O-ND1 3.45Å; S369-H372 PolarHBondContact O-N 3.39Å; R370-H372 VanDerWaalsContact C-N 3.28Å; R370-H372 PolarHBondContact O-N 3.41Å; H372-N374 PolarHBondContact O-N 3.39Å; H372-N374 VanDerWaalsContact O-N 3.11Å; H372-N374 PolarHBondContact O-OD1 3.11Å; H372-Y375 HydrophobicContact CB-CE1 3.64Å; H372-Y375 WeakPolarHBondContact CB-OH 3.5Å; H372-Y375 AromaticContact CD2-CE1 3.62Å; H372-Y375 AromaticContact CD2-CZ 3.79Å; H372-Y375 PolarHBondContact CD2-OH 3.4Å; H372-Y375 AromaticContact CG-CE1 3.99Å; H372-Y375 PolarHBondContact O-N 3.46Å; H372-L376 HydrophobicContact CB-CD1 4.02Å; H372-L376 HydrophobicContact CB-CG 4.49Å; H372-L376 WeakPolarHBondContact O-CG 3.31Å; H372-L376 PolarHBondContact O-N 2.95Å; H372-D433 IonicContact CD2-OD1 2.76Å; H372-D433 IonicContact NE2-OD1 3.14Å; H372-D433 IonicContact NE2-OD2 3.41Å
373	E	87.3	Confident	90.1	Very high	27 Å²	27	26 Å²	26	13%	0.126	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-28.4	-178.5	-169.1	-178.3	117.5	0	0	112.6	N273 R312 I314 S369 R370 Y375 L376 R377	N273-E373 PolarHBondContact ND2-OE1 3.43Å; N273-E373 PolarHBondContact ND2-OE2 3.35Å; R312-E373 IonicContact NH1-OE2 2.79Å; I314-E373 HydrophobicContact CD1-CG 4.13Å; S369-E373 PolarHBondContact O-N 3.37Å; R370-E373 WeakPolarHBondContact O-CB 3.41Å; R370-E373 PolarHBondContact O-N 2.91Å; E373-Y375 PolarHBondContact O-N 3.36Å; E373-L376 PolarHBondContact O-N 2.94Å; E373-R377 VanDerWaalsContact CD-NE 3.31Å; E373-R377 HydrophobicContact CG-CG 3.83Å; E373-R377 VanDerWaalsContact CG-NE 3.28Å; E373-R377 WeakPolarHBondContact O-CB 3.25Å; E373-R377 WeakPolarHBondContact O-CD 3.46Å; E373-R377 WeakPolarHBondContact O-CG 3.39Å; E373-R377 PolarHBondContact O-N 2.88Å; E373-R377 IonicContact OE1-CZ 2.82Å; E373-R377 IonicContact OE1-NE 3.46Å; E373-R377 PolarHBondContact OE1-NE 3.42Å; E373-R377 IonicContact OE1-NH2 2.7Å; E373-R377 PolarHBondContact OE1-NH2 3.23Å
374	N	82.2	Confident	90.4	Very high	21 Å²	21	27.2 Å²	27.2	11%	0.112	13%	0.131	C	C	.	.	H	α-helix	trans	-55.4	-48.2	-178.9	61	-10.3	0	0	0	113.5	H372 S659 Q662	H372-N374 PolarHBondContact O-N 3.39Å; H372-N374 VanDerWaalsContact O-N 3.11Å; H372-N374 PolarHBondContact O-OD1 3.11Å; N374-S659 PolarHBondContact ND2-O 3.4Å; N374-S659 VanDerWaalsContact ND2-O 3.07Å; N374-Q662 PolarHBondContact O-NE2 3.43Å
375	Y	89.8	Confident	90.5	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-89.8	-31.6	176.8	67.8	-99.8	0	0	0	111.9	H358 H372 E373 R377 N378 W379 D433 L658	H358-Y375 PolarHBondContact CE1-OH 3.49Å; H358-Y375 VanDerWaalsContact CE1-OH 3.26Å; H358-Y375 AromaticContact NE2-CZ 3.8Å; H358-Y375 PolarHBondContact NE2-OH 3.37Å; H372-Y375 HydrophobicContact CB-CE1 3.64Å; H372-Y375 WeakPolarHBondContact CB-OH 3.5Å; H372-Y375 AromaticContact CD2-CE1 3.62Å; H372-Y375 AromaticContact CD2-CZ 3.79Å; H372-Y375 PolarHBondContact CD2-OH 3.4Å; H372-Y375 AromaticContact CG-CE1 3.99Å; H372-Y375 PolarHBondContact O-N 3.46Å; E373-Y375 PolarHBondContact O-N 3.36Å; Y375-R377 VanDerWaalsContact C-N 3.33Å; Y375-R377 PolarHBondContact O-N 2.81Å; Y375-N378 WeakPolarHBondContact O-CA 3.49Å; Y375-N378 WeakPolarHBondContact O-CB 3.46Å; Y375-N378 PolarHBondContact O-N 2.8Å; Y375-W379 AromaticContact CD2-CD2 3.83Å; Y375-W379 HydrophobicContact CD2-CD2 3.83Å; Y375-W379 AromaticContact CD2-CE2 3.61Å; Y375-W379 HydrophobicContact CD2-CE3 4.02Å; Y375-W379 HydrophobicContact CD2-CG 4.5Å; Y375-W379 AromaticContact CD2-CH2 3.82Å; Y375-W379 HydrophobicContact CD2-CH2 3.82Å; Y375-W379 AromaticContact CD2-CZ2 3.65Å; Y375-W379 HydrophobicContact CD2-CZ2 3.65Å; Y375-W379 HydrophobicContact CD2-CZ3 4.01Å; Y375-W379 HydrophobicContact CE2-CD2 4.38Å; Y375-W379 HydrophobicContact CE2-CE3 4.11Å; Y375-W379 AromaticContact CE2-CH2 3.65Å; Y375-W379 HydrophobicContact CE2-CH2 3.65Å; Y375-W379 AromaticContact CE2-CZ2 3.97Å; Y375-W379 HydrophobicContact CE2-CZ2 3.97Å; Y375-W379 AromaticContact CE2-CZ3 3.73Å; Y375-W379 HydrophobicContact CE2-CZ3 3.73Å; Y375-W379 VanDerWaalsContact O-CD1 3.29Å; Y375-W379 PolarHBondContact O-N 3.34Å; Y375-D433 PolarHBondContact OH-OD1 3.03Å; Y375-L658 HydrophobicContact CD1-CB 3.98Å; Y375-L658 HydrophobicContact CE1-CB 4.01Å; Y375-L658 HydrophobicContact CE2-CD1 4.48Å; Y375-L658 HydrophobicContact CG-CB 4.37Å
376	L	94.8	Very high	90.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-36.6	-179.5	-65.5	174.2	0	0	0	112.7	I314 H358 H372 E373 N378 W379 S380 V387	I314-L376 HydrophobicContact CD1-CB 3.89Å; I314-L376 HydrophobicContact CD1-CD1 4.15Å; H358-L376 HydrophobicContact CB-CD2 4.21Å; H372-L376 HydrophobicContact CB-CD1 4.02Å; H372-L376 HydrophobicContact CB-CG 4.49Å; H372-L376 WeakPolarHBondContact O-CG 3.31Å; H372-L376 PolarHBondContact O-N 2.95Å; E373-L376 PolarHBondContact O-N 2.94Å; L376-N378 VanDerWaalsContact C-N 3.3Å; L376-N378 PolarHBondContact O-N 2.93Å; L376-W379 HydrophobicContact CD2-CE3 3.96Å; L376-W379 HydrophobicContact CD2-CZ3 4.23Å; L376-W379 PolarHBondContact O-N 2.98Å; L376-S380 WeakPolarHBondContact O-CB 3.34Å; L376-S380 PolarHBondContact O-N 3.43Å; L376-V387 HydrophobicContact CD2-CG1 4.07Å
377	R	93.7	Very high	91.5	Very high	29 Å²	29	26.9 Å²	26.9	11%	0.109	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-41.8	171.5	-72.8	169.7	167.2	-78.1	-12.4	111.9	N268 V270 N273 I314 E373 Y375 K381	N268-R377 WeakPolarHBondContact O-CD 3.47Å; N268-R377 PolarHBondContact O-NH1 3.08Å; V270-R377 HydrophobicContact CG1-CB 3.87Å; V270-R377 HydrophobicContact CG1-CG 3.67Å; N273-R377 PolarHBondContact ND2-NH2 3.4Å; I314-R377 HydrophobicContact CG2-CG 4.23Å; E373-R377 VanDerWaalsContact CD-NE 3.31Å; E373-R377 HydrophobicContact CG-CG 3.83Å; E373-R377 VanDerWaalsContact CG-NE 3.28Å; E373-R377 WeakPolarHBondContact O-CB 3.25Å; E373-R377 WeakPolarHBondContact O-CD 3.46Å; E373-R377 WeakPolarHBondContact O-CG 3.39Å; E373-R377 PolarHBondContact O-N 2.88Å; E373-R377 IonicContact OE1-CZ 2.82Å; E373-R377 IonicContact OE1-NE 3.46Å; E373-R377 PolarHBondContact OE1-NE 3.42Å; E373-R377 IonicContact OE1-NH2 2.7Å; E373-R377 PolarHBondContact OE1-NH2 3.23Å; Y375-R377 VanDerWaalsContact C-N 3.33Å; Y375-R377 PolarHBondContact O-N 2.81Å; R377-K381 WeakPolarHBondContact O-CB 3.34Å; R377-K381 PolarHBondContact O-N 3.5Å; R377-K381 VanDerWaalsContact O-N 3.12Å
378	N	92.6	Very high	92.2	Very high	27 Å²	27	25 Å²	25	14%	0.144	12%	0.121	C	C	.	.	H	α-helix	trans	-68.4	-43.8	178.6	-166.5	55.5	0	0	0	111.1	N268 Y375 L376 S380 K381 E382	N268-N378 PolarHBondContact ND2-OD1 2.83Å; Y375-N378 WeakPolarHBondContact O-CA 3.49Å; Y375-N378 WeakPolarHBondContact O-CB 3.46Å; Y375-N378 PolarHBondContact O-N 2.8Å; L376-N378 VanDerWaalsContact C-N 3.3Å; L376-N378 PolarHBondContact O-N 2.93Å; N378-S380 PolarHBondContact O-N 3.22Å; N378-K381 WeakPolarHBondContact O-CB 3.44Å; N378-K381 PolarHBondContact O-N 3.4Å; N378-E382 PolarHBondContact ND2-OE1 2.96Å; N378-E382 WeakPolarHBondContact O-CB 3.26Å; N378-E382 WeakPolarHBondContact O-CG 3.27Å; N378-E382 PolarHBondContact O-N 3.05Å; N378-E382 PolarHBondContact OD1-OE1 2.88Å
379	W	96.6	Very high	92.7	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-44	176.1	-66.9	6	0	0	0	111.8	L356 Y375 L376 K381 E382 L383 A431 M459 L658 S671 C674 V675 I678	L356-W379 HydrophobicContact CD2-CE3 4.1Å; Y375-W379 AromaticContact CD2-CD2 3.83Å; Y375-W379 HydrophobicContact CD2-CD2 3.83Å; Y375-W379 AromaticContact CD2-CE2 3.61Å; Y375-W379 HydrophobicContact CD2-CE3 4.02Å; Y375-W379 HydrophobicContact CD2-CG 4.5Å; Y375-W379 AromaticContact CD2-CH2 3.82Å; Y375-W379 HydrophobicContact CD2-CH2 3.82Å; Y375-W379 AromaticContact CD2-CZ2 3.65Å; Y375-W379 HydrophobicContact CD2-CZ2 3.65Å; Y375-W379 HydrophobicContact CD2-CZ3 4.01Å; Y375-W379 HydrophobicContact CE2-CD2 4.38Å; Y375-W379 HydrophobicContact CE2-CE3 4.11Å; Y375-W379 AromaticContact CE2-CH2 3.65Å; Y375-W379 HydrophobicContact CE2-CH2 3.65Å; Y375-W379 AromaticContact CE2-CZ2 3.97Å; Y375-W379 HydrophobicContact CE2-CZ2 3.97Å; Y375-W379 AromaticContact CE2-CZ3 3.73Å; Y375-W379 HydrophobicContact CE2-CZ3 3.73Å; Y375-W379 VanDerWaalsContact O-CD1 3.29Å; Y375-W379 PolarHBondContact O-N 3.34Å; L376-W379 HydrophobicContact CD2-CE3 3.96Å; L376-W379 HydrophobicContact CD2-CZ3 4.23Å; L376-W379 PolarHBondContact O-N 2.98Å; W379-K381 VanDerWaalsContact C-N 3.27Å; W379-K381 PolarHBondContact O-N 3.44Å; W379-E382 PolarHBondContact O-N 3.29Å; W379-L383 HydrophobicContact CB-CD1 4.42Å; W379-L383 VanDerWaalsContact O-CB 3.26Å; W379-L383 WeakPolarHBondContact O-CB 3.39Å; W379-L383 WeakPolarHBondContact O-CG 3.23Å; W379-L383 PolarHBondContact O-N 3.11Å; W379-A431 HydrophobicContact CZ3-CB 4.25Å; W379-M459 HydrophobicContact CH2-CE 3.31Å; W379-M459 HydrophobicContact CZ2-CE 4.22Å; W379-M459 HydrophobicContact CZ3-CE 3.6Å; W379-L658 HydrophobicContact CH2-CD1 3.79Å; W379-L658 HydrophobicContact CH2-CD2 4.46Å; W379-L658 HydrophobicContact CZ2-CD1 3.92Å; W379-L658 HydrophobicContact CZ2-CD2 3.75Å; W379-L658 HydrophobicContact CZ2-CG 4.46Å; W379-S671 PolarHBondContact NE1-OG 3.18Å; W379-C674 HydrophobicContact CH2-CB 4.25Å; W379-C674 HydrophobicContact CZ2-CB 3.8Å; W379-V675 HydrophobicContact CD2-CG2 4.27Å; W379-V675 HydrophobicContact CG-CG2 3.79Å; W379-I678 HydrophobicContact CD2-CD1 4.23Å; W379-I678 HydrophobicContact CE3-CD1 3.71Å; W379-I678 HydrophobicContact CH2-CD1 4.38Å; W379-I678 HydrophobicContact CZ3-CD1 3.81Å
380	S	97	Very high	93.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.3	-41.2	175.5	-175.7	0	0	0	0	111.8	S315 Y316 L376 N378 S384 V385	S315-S380 WeakPolarHBondContact CA-OG 3.36Å; Y316-S380 PolarHBondContact N-OG 3.42Å; L376-S380 WeakPolarHBondContact O-CB 3.34Å; L376-S380 PolarHBondContact O-N 3.43Å; N378-S380 PolarHBondContact O-N 3.22Å; S380-S384 WeakPolarHBondContact O-CA 3.48Å; S380-S384 PolarHBondContact O-N 3.47Å; S380-V385 WeakPolarHBondContact CA-O 3.5Å; S380-V385 PolarHBondContact O-N 3.47Å; S380-V385 PolarHBondContact OG-O 2.73Å
381	K	95.2	Very high	93.8	Very high	83 Å²	83	17.8 Å²	17.8	36%	0.361	9%	0.09	S	C	.	.	H	α-helix	trans	-66.1	-52.5	176.1	-178.3	-176.7	-176.5	-169.2	0	112.3	N268 Y316 R377 N378 W379 L383 S384	N268-K381 HydrophobicContact CB-CD 4.2Å; N268-K381 PolarHBondContact OD1-NZ 3.21Å; Y316-K381 HydrophobicContact CD1-CB 4.26Å; Y316-K381 HydrophobicContact CD1-CG 3.97Å; Y316-K381 HydrophobicContact CD2-CB 3.57Å; Y316-K381 HydrophobicContact CD2-CD 4.02Å; Y316-K381 HydrophobicContact CD2-CG 3.67Å; Y316-K381 HydrophobicContact CE1-CG 3.93Å; Y316-K381 HydrophobicContact CE2-CB 4.06Å; Y316-K381 HydrophobicContact CE2-CD 3.6Å; Y316-K381 HydrophobicContact CE2-CG 3.65Å; Y316-K381 HydrophobicContact CG-CB 3.68Å; Y316-K381 HydrophobicContact CG-CG 3.84Å; R377-K381 WeakPolarHBondContact O-CB 3.34Å; R377-K381 PolarHBondContact O-N 3.5Å; R377-K381 VanDerWaalsContact O-N 3.12Å; N378-K381 WeakPolarHBondContact O-CB 3.44Å; N378-K381 PolarHBondContact O-N 3.4Å; W379-K381 VanDerWaalsContact C-N 3.27Å; W379-K381 PolarHBondContact O-N 3.44Å; K381-L383 PolarHBondContact O-N 3.37Å; K381-S384 PolarHBondContact O-N 3.4Å
382	E	95.1	Very high	94.7	Very high	74 Å²	74	16.8 Å²	16.8	35%	0.346	8%	0.082	S	C	.	.	H	α-helix	trans	-70.8	-30.9	-173.7	-73.2	-173.6	-165.3	0	0	114	N378 W379 V675	N378-E382 PolarHBondContact ND2-OE1 2.96Å; N378-E382 WeakPolarHBondContact O-CB 3.26Å; N378-E382 WeakPolarHBondContact O-CG 3.27Å; N378-E382 PolarHBondContact O-N 3.05Å; N378-E382 PolarHBondContact OD1-OE1 2.88Å; W379-E382 PolarHBondContact O-N 3.29Å; E382-V675 HydrophobicContact CB-CG1 4.34Å
383	L	96.5	Very high	95.1	Very high	11 Å²	11	18.3 Å²	18.3	6%	0.058	9%	0.093	C	C	.	.	H	α-helix	trans	-89.9	-18.1	175.7	-62.8	167.1	0	0	0	111.6	W379 K381 V385 V675 I678 R679 F682	W379-L383 HydrophobicContact CB-CD1 4.42Å; W379-L383 VanDerWaalsContact O-CB 3.26Å; W379-L383 WeakPolarHBondContact O-CB 3.39Å; W379-L383 WeakPolarHBondContact O-CG 3.23Å; W379-L383 PolarHBondContact O-N 3.11Å; K381-L383 PolarHBondContact O-N 3.37Å; L383-V385 VanDerWaalsContact C-N 3.29Å; L383-V385 HydrophobicContact CB-CB 4.08Å; L383-V385 HydrophobicContact CB-CG2 3.93Å; L383-V385 WeakPolarHBondContact O-CG2 3.45Å; L383-V675 HydrophobicContact CD1-CG1 4.45Å; L383-V675 HydrophobicContact CD2-CG1 3.76Å; L383-V675 HydrophobicContact CG-CG1 3.96Å; L383-I678 HydrophobicContact CD1-CB 4.08Å; L383-I678 HydrophobicContact CD1-CD1 4.3Å; L383-I678 HydrophobicContact CD1-CG2 3.5Å; L383-I678 HydrophobicContact CD2-CG2 4.35Å; L383-R679 HydrophobicContact CD2-CB 4.01Å; L383-F682 HydrophobicContact CD1-CE2 4.48Å
384	S	95.8	Very high	95.5	Very high	39 Å²	39	18.5 Å²	18.5	27%	0.273	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	46.8	-166.5	-161.2	0	0	0	0	111.4	D317 R319 S380 K381	D317-S384 PolarHBondContact OD2-OG 3.48Å; R319-S384 PolarHBondContact NH2-O 3.09Å; R319-S384 PolarHBondContact NH2-OG 2.7Å; R319-S384 VanDerWaalsContact NH2-OG 3.11Å; S380-S384 WeakPolarHBondContact O-CA 3.48Å; S380-S384 PolarHBondContact O-N 3.47Å; K381-S384 PolarHBondContact O-N 3.4Å
385	V	97.4	Very high	95.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.			trans	-125.1	138.9	-175.4	170.7	0	0	0	0	110.5	W354 L356 S380 L383 F682	W354-V385 HydrophobicContact CB-CG1 4.31Å; W354-V385 HydrophobicContact CB-CG2 3.81Å; W354-V385 HydrophobicContact CD2-CG2 4.4Å; W354-V385 HydrophobicContact CE3-CG2 3.63Å; L356-V385 HydrophobicContact CB-CG1 3.94Å; S380-V385 WeakPolarHBondContact CA-O 3.5Å; S380-V385 PolarHBondContact O-N 3.47Å; S380-V385 PolarHBondContact OG-O 2.73Å; L383-V385 VanDerWaalsContact C-N 3.29Å; L383-V385 HydrophobicContact CB-CB 4.08Å; L383-V385 HydrophobicContact CB-CG2 3.93Å; L383-V385 WeakPolarHBondContact O-CG2 3.45Å; V385-F682 HydrophobicContact CB-CE2 4.49Å; V385-F682 HydrophobicContact CG1-CE2 4.19Å; V385-F682 HydrophobicContact CG1-CZ 4.18Å; V385-F682 HydrophobicContact CG2-CD2 4.32Å; V385-F682 HydrophobicContact CG2-CE2 3.96Å
386	P	98.1	Very high	95.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.			trans	-66.7	135	168.2	28.3	-34.4	0	0	0	110.6	L313 L355 L356 L421	L313-P386 HydrophobicContact CD1-CB 4.32Å; L355-P386 HydrophobicContact CD1-CB 4.49Å; L355-P386 HydrophobicContact CD1-CG 4.12Å; L356-P386 PolarHBondContact N-O 2.99Å; P386-L421 WeakPolarHBondContact CB-O 3.48Å
387	V	98.6	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.1	-178.7	-174.8	0	0	0	0	109.1	I314 L356 H358 L376	I314-V387 HydrophobicContact CB-CB 4.35Å; I314-V387 PolarHBondContact N-O 3.2Å; I314-V387 PolarHBondContact O-N 2.71Å; L356-V387 HydrophobicContact CB-CG2 4.21Å; L356-V387 HydrophobicContact CD2-CG1 4.15Å; L356-V387 HydrophobicContact CD2-CG2 3.91Å; L356-V387 HydrophobicContact CG-CG1 4.36Å; L356-V387 CarbonylContact O-C 3.56Å; L356-V387 WeakPolarHBondContact O-CA 3.42Å; H358-V387 HydrophobicContact CB-CG1 4.19Å; L376-V387 HydrophobicContact CD2-CG1 4.07Å
388	L	98.7	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	105.9	173.7	-172.3	73.2	0	0	0	109.6	L276 M311 R312 L313 L356 I357 H358 A414 L421	L276-L388 HydrophobicContact CD1-CD1 4.29Å; M311-L388 HydrophobicContact CB-CD1 4.18Å; M311-L388 HydrophobicContact CB-CG 4.48Å; M311-L388 HydrophobicContact CG-CD1 3.94Å; M311-L388 HydrophobicContact SD-CD1 3.75Å; M311-L388 HydrophobicContact SD-CD2 3.96Å; M311-L388 HydrophobicContact SD-CG 4.21Å; R312-L388 WeakPolarHBondContact O-CA 3.49Å; L313-L388 HydrophobicContact CB-CD1 4.33Å; L356-L388 PolarHBondContact O-N 3.42Å; I357-L388 CarbonylContact C-O 3.57Å; I357-L388 WeakPolarHBondContact CA-O 3.5Å; H358-L388 PolarHBondContact N-O 2.99Å; L388-A414 HydrophobicContact CD2-CB 3.66Å; L388-L421 HydrophobicContact CD1-CD1 4.49Å; L388-L421 HydrophobicContact CD1-CD2 4.12Å; L388-L421 HydrophobicContact CD2-CD1 3.88Å
389	S	98.6	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.4	177.5	-173.7	0	0	0	0	111	M311 R312 H358 S369	M311-S389 CarbonylContact C-O 3.55Å; M311-S389 VanDerWaalsContact CA-O 3.22Å; M311-S389 WeakPolarHBondContact CA-O 3.5Å; M311-S389 WeakPolarHBondContact CB-O 3.45Å; R312-S389 PolarHBondContact N-O 3.21Å; R312-S389 PolarHBondContact O-N 3.45Å; H358-S389 PolarHBondContact ND1-OG 3.07Å; H358-S389 CarbonylContact O-C 3.51Å; H358-S389 WeakPolarHBondContact O-CA 3.07Å; S369-S389 WeakPolarHBondContact CB-OG 3.38Å
390	V	98.5	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.8	-177.6	-173.5	0	0	0	0	110.8	V309 I357 H358 F359 H360 Y392 A410	V309-V390 HydrophobicContact CG1-CG1 4.05Å; I357-V390 HydrophobicContact CG2-CG2 4.5Å; H358-V390 PolarHBondContact O-N 3.17Å; F359-V390 HydrophobicContact CD1-CB 3.97Å; F359-V390 HydrophobicContact CD1-CG2 3.84Å; F359-V390 HydrophobicContact CE1-CB 4.22Å; F359-V390 HydrophobicContact CE1-CG2 3.64Å; H360-V390 PolarHBondContact CD2-O 2.98Å; H360-V390 VanDerWaalsContact CD2-O 3.22Å; V390-Y392 PolarHBondContact O-N 3.41Å; V390-A410 HydrophobicContact CB-CB 4.42Å; V390-A410 HydrophobicContact CG1-CB 3.93Å; V390-A410 HydrophobicContact CG2-CB 3.53Å
391	D	97.1	Very high	95.7	Very high	29 Å²	29	25.3 Å²	25.3	16%	0.155	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	76.2	173.1	-72.5	-47.2	0	0	0	108.7	H310 S369	H310-D391 HydrophobicContact CB-CB 3.83Å; H310-D391 PolarHBondContact O-N 2.91Å; S369-D391 WeakPolarHBondContact CA-OD1 3.48Å; S369-D391 WeakPolarHBondContact CB-OD1 3.46Å; S369-D391 PolarHBondContact N-OD1 3.24Å; S369-D391 PolarHBondContact OG-OD1 3.27Å; S369-D391 PolarHBondContact OG-OD2 2.91Å
392	Y	97.5	Very high	95.8	Very high	7 Å²	7	21.8 Å²	21.8	3%	0.027	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-74.3	154.4	-178.5	60.5	-101.8	0	0	0	111.7	H360 V390 L394 A403 C407 L439	H360-Y392 AromaticContact CD2-CE1 3.83Å; H360-Y392 AromaticContact CE1-CE1 3.8Å; H360-Y392 AromaticContact CE1-CZ 3.54Å; H360-Y392 AromaticContact ND1-CZ 3.88Å; H360-Y392 AromaticContact NE2-CD1 3.98Å; H360-Y392 AromaticContact NE2-CE1 3.68Å; H360-Y392 AromaticContact NE2-CZ 3.85Å; H360-Y392 PolarHBondContact O-OH 3.23Å; V390-Y392 PolarHBondContact O-N 3.41Å; Y392-L394 HydrophobicContact CD2-CD2 4.13Å; Y392-L394 HydrophobicContact CE2-CD2 3.7Å; Y392-A403 HydrophobicContact CD2-CB 3.54Å; Y392-A403 HydrophobicContact CE2-CB 4.18Å; Y392-A403 HydrophobicContact CG-CB 4.03Å; Y392-C407 VanDerWaalsContact CD1-SG 3.58Å; Y392-L439 HydrophobicContact CD1-CD1 3.79Å; Y392-L439 HydrophobicContact CD2-CD1 4.5Å; Y392-L439 HydrophobicContact CE1-CD1 3.41Å; Y392-L439 VanDerWaalsContact CE1-CD1 3.41Å; Y392-L439 HydrophobicContact CE2-CD1 4.21Å; Y392-L439 HydrophobicContact CG-CD1 4.32Å
393	S	96.3	Very high	95.9	Very high	32 Å²	32	18.3 Å²	18.3	22%	0.224	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-65.5	135.4	179.2	-62.7	0	0	0	0	111.1	E406	S393-E406 WeakPolarHBondContact CA-OE2 3.43Å; S393-E406 WeakPolarHBondContact CB-OE2 3.37Å; S393-E406 PolarHBondContact N-OE2 2.87Å; S393-E406 VanDerWaalsContact OG-CD 3.3Å; S393-E406 PolarHBondContact OG-OE1 3.07Å; S393-E406 PolarHBondContact OG-OE2 3.28Å
394	L	94.8	Very high	96	Very high	31 Å²	31	18.3 Å²	18.3	16%	0.162	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-97.7	147.6	-172.1	-58.3	173.3	0	0	0	112	F364 Y392 E397 A398	F364-L394 CarbonylContact O-C 3.57Å; F364-L394 WeakPolarHBondContact O-CA 3.4Å; Y392-L394 HydrophobicContact CD2-CD2 4.13Å; Y392-L394 HydrophobicContact CE2-CD2 3.7Å; L394-E397 PolarHBondContact O-N 3.09Å; L394-A398 WeakPolarHBondContact O-CB 3.5Å; L394-A398 PolarHBondContact O-N 3.45Å
395	S	92	Very high	96.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	154.3	167	-55.1	0	0	0	0	110.5	F364 V365 A398 P399 A495 Y496	F364-S395 PolarHBondContact O-N 3.45Å; V365-S395 VanDerWaalsContact CA-O 3.24Å; V365-S395 WeakPolarHBondContact CA-O 3.3Å; V365-S395 WeakPolarHBondContact CB-O 3.27Å; S395-A398 PolarHBondContact N-O 3.39Å; S395-A398 PolarHBondContact OG-O 2.7Å; S395-P399 WeakPolarHBondContact OG-CA 3.2Å; S395-A495 WeakPolarHBondContact CB-O 3.48Å; S395-Y496 WeakPolarHBondContact OG-CA 3.42Å
396	P	89.3	Confident	96.2	Very high	40 Å²	40	19 Å²	19	26%	0.26	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	cis	-80.4	-8.7	5.2	35.9	-40.1	0	0	0	115	L244 P399 F501	L244-P396 HydrophobicContact CD2-CB 4.29Å; L244-P396 HydrophobicContact CD2-CG 4.1Å; P396-P399 WeakPolarHBondContact O-CD 3.36Å; P396-F501 HydrophobicContact CB-CD2 4.08Å; P396-F501 HydrophobicContact CB-CE1 4.15Å; P396-F501 HydrophobicContact CB-CE2 3.25Å; P396-F501 HydrophobicContact CB-CZ 3.29Å; P396-F501 HydrophobicContact CG-CE2 4.44Å; P396-F501 HydrophobicContact CG-CZ 4.27Å
397	E	90.8	Very high	96.2	Very high	92 Å²	92	19 Å²	19	43%	0.43	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-49	-176.9	-60.6	83.1	174.7	0	0	109.6	K248 W304 L394 P399	K248-E397 IonicContact NZ-OE1 3.78Å; K248-E397 PolarHBondContact NZ-OE1 3.31Å; K248-E397 IonicContact NZ-OE2 2.65Å; K248-E397 PolarHBondContact NZ-OE2 3.46Å; W304-E397 HydrophobicContact CH2-CB 3.69Å; W304-E397 WeakPolarHBondContact CH2-O 3.31Å; W304-E397 HydrophobicContact CZ2-CB 3.84Å; W304-E397 WeakPolarHBondContact CZ2-O 3.49Å; L394-E397 PolarHBondContact O-N 3.09Å; E397-P399 WeakPolarHBondContact O-CD 3.47Å
398	A	93.1	Very high	96.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-112.2	84.3	175.9	0	0	0	0	0	111.1	W304 L394 S395 R402	W304-A398 HydrophobicContact CH2-CB 3.65Å; W304-A398 HydrophobicContact CZ3-CB 3.81Å; L394-A398 WeakPolarHBondContact O-CB 3.5Å; L394-A398 PolarHBondContact O-N 3.45Å; S395-A398 PolarHBondContact N-O 3.39Å; S395-A398 PolarHBondContact OG-O 2.7Å; A398-R402 HydrophobicContact CB-CB 3.9Å; A398-R402 HydrophobicContact CB-CG 3.71Å
399	P	94.2	Very high	96.2	Very high	18 Å²	18	20 Å²	20	12%	0.117	11%	0.106	C	C	.	.			trans	-69.3	174.9	173.4	25	-26.9	0	0	0	111.6	H303 S395 P396 E397 R402	H303-P399 PolarHBondContact CD2-O 2.96Å; H303-P399 WeakPolarHBondContact NE2-CD 3.48Å; H303-P399 WeakPolarHBondContact NE2-CG 3.45Å; H303-P399 PolarHBondContact NE2-O 3.47Å; S395-P399 WeakPolarHBondContact OG-CA 3.2Å; P396-P399 WeakPolarHBondContact O-CD 3.36Å; E397-P399 WeakPolarHBondContact O-CD 3.47Å; P399-R402 WeakPolarHBondContact O-CB 3.49Å; P399-R402 PolarHBondContact O-N 3.45Å; P399-R402 VanDerWaalsContact O-N 3.08Å
400	F	95.6	Very high	96.2	Very high	36 Å²	36	20 Å²	20	16%	0.158	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	137.4	170.5	174.7	-92.8	0	0	0	110.8	H303 L404 Y496 V595 F600 V601	H303-F400 PolarHBondContact NE2-O 3.17Å; F400-L404 HydrophobicContact CE2-CD2 4.06Å; F400-Y496 HydrophobicContact CB-CD1 4.39Å; F400-Y496 HydrophobicContact CB-CD2 4.36Å; F400-Y496 HydrophobicContact CB-CE1 4.11Å; F400-Y496 HydrophobicContact CB-CE2 4.07Å; F400-Y496 VanDerWaalsContact CB-O 3.23Å; F400-Y496 WeakPolarHBondContact CB-O 3.23Å; F400-Y496 HydrophobicContact CD2-CE1 4.08Å; F400-Y496 AromaticContact CD2-CZ 3.88Å; F400-Y496 PolarHBondContact N-O 3.18Å; F400-V595 HydrophobicContact CD1-CG1 3.87Å; F400-V595 HydrophobicContact CE1-CG1 4.49Å; F400-V595 HydrophobicContact CG-CG1 4.45Å; F400-F600 HydrophobicContact CE2-CB 3.79Å; F400-F600 HydrophobicContact CZ-CB 3.88Å; F400-V601 HydrophobicContact CB-CG2 4.29Å; F400-V601 HydrophobicContact CD1-CG2 3.86Å; F400-V601 HydrophobicContact CD2-CG2 3.41Å; F400-V601 VanDerWaalsContact CD2-CG2 3.41Å; F400-V601 HydrophobicContact CE1-CG2 4Å; F400-V601 HydrophobicContact CE2-CG2 3.58Å; F400-V601 HydrophobicContact CG-CG2 3.57Å; F400-V601 HydrophobicContact CZ-CG2 3.87Å
401	P	96.4	Very high	96.2	Very high	38 Å²	38	20 Å²	20	25%	0.247	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.5	16.4	7.1	38.8	-36.4	0	0	0	115.3	A302 A403 L404 E405	A302-P401 HydrophobicContact CB-CG 4.01Å; P401-A403 PolarHBondContact O-N 2.89Å; P401-L404 WeakPolarHBondContact O-CB 3.41Å; P401-L404 PolarHBondContact O-N 3.46Å; P401-E405 PolarHBondContact O-N 3.04Å
402	R	97	Very high	96.3	Very high	9 Å²	9	18.6 Å²	18.6	3%	0.034	10%	0.099	C	C	.	.	H	α-helix	trans	-56.8	-49.5	-167.5	-178.6	60.8	176.7	-139.4	9.6	114.2	A302 G305 A398 P399 L404 E405 E406	A302-R402 HydrophobicContact CB-CB 4.14Å; A302-R402 WeakPolarHBondContact O-CD 3.41Å; A302-R402 PolarHBondContact O-NH1 3.42Å; G305-R402 PolarHBondContact O-NH1 3.49Å; A398-R402 HydrophobicContact CB-CB 3.9Å; A398-R402 HydrophobicContact CB-CG 3.71Å; P399-R402 WeakPolarHBondContact O-CB 3.49Å; P399-R402 PolarHBondContact O-N 3.45Å; P399-R402 VanDerWaalsContact O-N 3.08Å; R402-L404 VanDerWaalsContact C-N 3.27Å; R402-L404 PolarHBondContact O-N 3.05Å; R402-E405 PolarHBondContact O-N 3.36Å; R402-E406 IonicContact CZ-OE1 2.72Å; R402-E406 IonicContact NE-OE1 2.58Å; R402-E406 PolarHBondContact NE-OE1 3.24Å; R402-E406 IonicContact NH2-OE1 2.63Å; R402-E406 PolarHBondContact NH2-OE1 3.4Å; R402-E406 VanDerWaalsContact NH2-OE1 3.14Å; R402-E406 WeakPolarHBondContact O-CG 3.47Å; R402-E406 PolarHBondContact O-N 3.37Å
403	A	97.8	Very high	96.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-37.4	177.9	0	0	0	0	0	112.9	Y392 P401 C407 L439 Y496	Y392-A403 HydrophobicContact CD2-CB 3.54Å; Y392-A403 HydrophobicContact CE2-CB 4.18Å; Y392-A403 HydrophobicContact CG-CB 4.03Å; P401-A403 PolarHBondContact O-N 2.89Å; A403-C407 WeakPolarHBondContact O-CB 3.41Å; A403-C407 PolarHBondContact O-N 2.84Å; A403-C407 PolarHBondContact O-SG 3.03Å; A403-L439 HydrophobicContact CB-CD2 4.38Å; A403-Y496 HydrophobicContact CB-CE2 4.37Å
404	L	98.4	Very high	96.5	Very high	11 Å²	11	17 Å²	17	6%	0.058	9%	0.088	C	C	.	.	H	α-helix	trans	-66.7	-43.6	176.2	170.4	60.5	0	0	0	111.3	F400 P401 R402 E406 F408 L439 V443 F600	F400-L404 HydrophobicContact CE2-CD2 4.06Å; P401-L404 WeakPolarHBondContact O-CB 3.41Å; P401-L404 PolarHBondContact O-N 3.46Å; R402-L404 VanDerWaalsContact C-N 3.27Å; R402-L404 PolarHBondContact O-N 3.05Å; L404-E406 VanDerWaalsContact C-N 3.35Å; L404-E406 PolarHBondContact O-N 3.22Å; L404-F408 VanDerWaalsContact O-CB 3.23Å; L404-F408 WeakPolarHBondContact O-CB 3.43Å; L404-F408 PolarHBondContact O-N 3.37Å; L404-L439 HydrophobicContact CB-CD2 4.31Å; L404-V443 HydrophobicContact CD1-CG2 3.93Å; L404-F600 HydrophobicContact CD2-CB 3.79Å; L404-F600 HydrophobicContact CD2-CD1 3.76Å; L404-F600 HydrophobicContact CD2-CG 4.06Å
405	E	98.3	Very high	96.7	Very high	52 Å²	52	16.8 Å²	16.8	24%	0.243	9%	0.087	C	C	.	.	H	α-helix	trans	-59.9	-45.4	176.2	-69.3	-175.5	172.8	0	0	111.4	P300 V301 A302 P401 R402 F408 Y409	P300-E405 HydrophobicContact CB-CB 3.82Å; P300-E405 HydrophobicContact CG-CB 4.39Å; V301-E405 PolarHBondContact N-OE2 3Å; A302-E405 WeakPolarHBondContact CB-OE2 3.49Å; A302-E405 PolarHBondContact N-OE2 3.31Å; P401-E405 PolarHBondContact O-N 3.04Å; R402-E405 PolarHBondContact O-N 3.36Å; E405-F408 PolarHBondContact O-N 3.02Å; E405-Y409 VanDerWaalsContact O-CB 3.24Å; E405-Y409 WeakPolarHBondContact O-CB 3.4Å; E405-Y409 PolarHBondContact O-N 3Å
406	E	98.6	Very high	96.9	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-67.1	-43.3	179.8	-70.4	173.9	159.9	0	0	112.5	P300 V309 S393 R402 L404 Y409 A410	P300-E406 HydrophobicContact CB-CG 3.61Å; P300-E406 HydrophobicContact CG-CB 4.25Å; P300-E406 HydrophobicContact CG-CG 3.62Å; V309-E406 HydrophobicContact CG1-CB 4.43Å; V309-E406 HydrophobicContact CG2-CB 4.23Å; V309-E406 HydrophobicContact CG2-CG 4.09Å; S393-E406 WeakPolarHBondContact CA-OE2 3.43Å; S393-E406 WeakPolarHBondContact CB-OE2 3.37Å; S393-E406 PolarHBondContact N-OE2 2.87Å; S393-E406 VanDerWaalsContact OG-CD 3.3Å; S393-E406 PolarHBondContact OG-OE1 3.07Å; S393-E406 PolarHBondContact OG-OE2 3.28Å; R402-E406 IonicContact CZ-OE1 2.72Å; R402-E406 IonicContact NE-OE1 2.58Å; R402-E406 PolarHBondContact NE-OE1 3.24Å; R402-E406 IonicContact NH2-OE1 2.63Å; R402-E406 PolarHBondContact NH2-OE1 3.4Å; R402-E406 VanDerWaalsContact NH2-OE1 3.14Å; R402-E406 WeakPolarHBondContact O-CG 3.47Å; R402-E406 PolarHBondContact O-N 3.37Å; L404-E406 VanDerWaalsContact C-N 3.35Å; L404-E406 PolarHBondContact O-N 3.22Å; E406-Y409 PolarHBondContact O-N 3.41Å; E406-A410 VanDerWaalsContact O-CB 3.28Å; E406-A410 WeakPolarHBondContact O-CB 3.48Å; E406-A410 PolarHBondContact O-N 3.38Å
407	C	98.8	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.9	-39.7	176.7	-68.8	0	0	0	0	112	F359 Y392 A403 Y411 V443	F359-C407 HydrophobicContact CD1-CB 3.99Å; F359-C407 HydrophobicContact CE1-CB 3.66Å; F359-C407 HydrophobicContact CE2-CB 4.28Å; F359-C407 HydrophobicContact CG-CB 4.47Å; F359-C407 HydrophobicContact CZ-CB 3.82Å; Y392-C407 VanDerWaalsContact CD1-SG 3.58Å; A403-C407 WeakPolarHBondContact O-CB 3.41Å; A403-C407 PolarHBondContact O-N 2.84Å; A403-C407 PolarHBondContact O-SG 3.03Å; C407-Y411 WeakPolarHBondContact O-CB 3.37Å; C407-Y411 PolarHBondContact O-N 3.46Å; C407-V443 HydrophobicContact CB-CG2 3.67Å
408	F	98.8	Very high	97.7	Very high	16 Å²	16	17.1 Å²	17.1	7%	0.07	9%	0.085	C	C	.	.	H	α-helix	trans	-66.4	-42.3	175	175.1	-112.6	0	0	0	111.8	V297 L404 E405 Y411 C412 V443 R446 A447 A450 I452	V297-F408 HydrophobicContact CG1-CD1 4.31Å; V297-F408 HydrophobicContact CG1-CE1 3.84Å; L404-F408 VanDerWaalsContact O-CB 3.23Å; L404-F408 WeakPolarHBondContact O-CB 3.43Å; L404-F408 PolarHBondContact O-N 3.37Å; E405-F408 PolarHBondContact O-N 3.02Å; F408-Y411 WeakPolarHBondContact O-CB 3.15Å; F408-Y411 PolarHBondContact O-N 2.72Å; F408-C412 PolarHBondContact O-N 3.42Å; F408-C412 PolarHBondContact O-SG 2.92Å; F408-V443 HydrophobicContact CB-CG2 4.33Å; F408-V443 HydrophobicContact CD2-CG1 4.34Å; F408-R446 HydrophobicContact CB-CG 4.28Å; F408-R446 HydrophobicContact CD1-CG 3.75Å; F408-R446 HydrophobicContact CD2-CB 3.95Å; F408-R446 HydrophobicContact CD2-CG 3.64Å; F408-R446 HydrophobicContact CE1-CG 3.89Å; F408-R446 HydrophobicContact CE2-CB 4.25Å; F408-R446 HydrophobicContact CE2-CG 3.82Å; F408-R446 HydrophobicContact CG-CB 4.26Å; F408-R446 HydrophobicContact CG-CG 3.6Å; F408-R446 HydrophobicContact CZ-CG 3.91Å; F408-A447 HydrophobicContact CE2-CB 4Å; F408-A450 HydrophobicContact CZ-CB 3.81Å; F408-I452 HydrophobicContact CE1-CD1 4.47Å; F408-I452 HydrophobicContact CE2-CD1 3.99Å; F408-I452 HydrophobicContact CZ-CD1 3.51Å
409	Y	98.8	Very high	97.9	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-63.7	-44.8	175.7	-179	-94.3	0	0	0	111.7	V278 P279 E281 L283 V297 P299 P300 V309 E405 E406 Y411 C412 W413	V278-Y409 HydrophobicContact CG1-CE1 3.83Å; P279-Y409 PolarHBondContact O-OH 3.05Å; E281-Y409 PolarHBondContact N-OH 3.24Å; E281-Y409 WeakPolarHBondContact O-CE2 3.41Å; E281-Y409 PolarHBondContact O-OH 3.48Å; L283-Y409 HydrophobicContact CD1-CD2 3.99Å; L283-Y409 HydrophobicContact CD1-CE2 3.61Å; L283-Y409 HydrophobicContact CD2-CE2 4.47Å; L283-Y409 HydrophobicContact CG-CD2 4.45Å; L283-Y409 HydrophobicContact CG-CE2 3.69Å; V297-Y409 HydrophobicContact CG1-CD2 4.27Å; P299-Y409 HydrophobicContact CB-CE2 4.27Å; P300-Y409 HydrophobicContact CG-CD1 4.46Å; P300-Y409 HydrophobicContact CG-CG 4.08Å; V309-Y409 HydrophobicContact CB-CD1 4.27Å; V309-Y409 HydrophobicContact CG2-CD1 3.61Å; V309-Y409 HydrophobicContact CG2-CE1 4.15Å; V309-Y409 HydrophobicContact CG2-CG 4.47Å; E405-Y409 VanDerWaalsContact O-CB 3.24Å; E405-Y409 WeakPolarHBondContact O-CB 3.4Å; E405-Y409 PolarHBondContact O-N 3Å; E406-Y409 PolarHBondContact O-N 3.41Å; Y409-Y411 VanDerWaalsContact C-N 3.34Å; Y409-Y411 PolarHBondContact O-N 2.9Å; Y409-C412 WeakPolarHBondContact O-CB 3.31Å; Y409-C412 PolarHBondContact O-N 3.3Å; Y409-W413 WeakPolarHBondContact O-CB 3.47Å; Y409-W413 PolarHBondContact O-N 3.09Å
410	A	98.8	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-42.1	175.6	0	0	0	0	0	112.1	V309 M311 V390 E406 C412 W413 A414	V309-A410 HydrophobicContact CG1-CB 4.12Å; M311-A410 HydrophobicContact CE-CB 4.43Å; V390-A410 HydrophobicContact CB-CB 4.42Å; V390-A410 HydrophobicContact CG1-CB 3.93Å; V390-A410 HydrophobicContact CG2-CB 3.53Å; E406-A410 VanDerWaalsContact O-CB 3.28Å; E406-A410 WeakPolarHBondContact O-CB 3.48Å; E406-A410 PolarHBondContact O-N 3.38Å; A410-C412 PolarHBondContact O-N 3.37Å; A410-W413 PolarHBondContact O-N 3.49Å; A410-A414 VanDerWaalsContact O-CB 3.27Å; A410-A414 WeakPolarHBondContact O-CB 3.46Å; A410-A414 PolarHBondContact O-N 3.32Å
411	Y	98.8	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56.8	-49.7	173.2	171.7	-108.6	0	0	0	111.6	I357 C407 F408 Y409 W413 A414 L415 V428 L430 V443 A447 I452 R453 P455	I357-Y411 HydrophobicContact CD1-CD2 3.69Å; I357-Y411 HydrophobicContact CD1-CE2 4.28Å; C407-Y411 WeakPolarHBondContact O-CB 3.37Å; C407-Y411 PolarHBondContact O-N 3.46Å; F408-Y411 WeakPolarHBondContact O-CB 3.15Å; F408-Y411 PolarHBondContact O-N 2.72Å; Y409-Y411 VanDerWaalsContact C-N 3.34Å; Y409-Y411 PolarHBondContact O-N 2.9Å; Y411-W413 PolarHBondContact O-N 3.5Å; Y411-A414 PolarHBondContact O-N 3.04Å; Y411-L415 HydrophobicContact CD1-CD1 4.4Å; Y411-L415 HydrophobicContact CE1-CD1 3.71Å; Y411-L415 HydrophobicContact CE1-CG 4.42Å; Y411-L415 HydrophobicContact CE2-CD1 4.28Å; Y411-L415 HydrophobicContact CE2-CD2 4.3Å; Y411-L415 HydrophobicContact CE2-CG 4.23Å; Y411-L415 WeakPolarHBondContact O-CG 3.28Å; Y411-L415 PolarHBondContact O-N 2.97Å; Y411-V428 HydrophobicContact CE2-CG1 4.14Å; Y411-L430 HydrophobicContact CD2-CD2 3.85Å; Y411-L430 HydrophobicContact CE2-CD2 4.19Å; Y411-V443 HydrophobicContact CD1-CG1 4.31Å; Y411-V443 HydrophobicContact CG-CG1 4.18Å; Y411-A447 HydrophobicContact CE1-CB 4.23Å; Y411-I452 HydrophobicContact CE1-CG2 4.27Å; Y411-R453 WeakPolarHBondContact CE1-O 3.36Å; Y411-R453 PolarHBondContact OH-O 2.96Å; Y411-P455 HydrophobicContact CE2-CB 4.27Å; Y411-P455 WeakPolarHBondContact OH-CD 3.48Å
412	C	98.8	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-42.2	178.2	-66.2	0	0	0	0	112.4	L283 L285 V297 F408 Y409 A410 A414 L415 K416 I452	L283-C412 HydrophobicContact CD1-CB 3.97Å; L285-C412 HydrophobicContact CD1-CB 3.68Å; L285-C412 HydrophobicContact CD2-CB 4.29Å; V297-C412 HydrophobicContact CG1-CB 4.3Å; V297-C412 HydrophobicContact CG2-CB 4.36Å; F408-C412 PolarHBondContact O-N 3.42Å; F408-C412 PolarHBondContact O-SG 2.92Å; Y409-C412 WeakPolarHBondContact O-CB 3.31Å; Y409-C412 PolarHBondContact O-N 3.3Å; A410-C412 PolarHBondContact O-N 3.37Å; C412-A414 VanDerWaalsContact C-N 3.33Å; C412-A414 PolarHBondContact O-N 2.65Å; C412-L415 PolarHBondContact O-N 3.44Å; C412-K416 PolarHBondContact O-N 3.24Å; C412-K416 VanDerWaalsContact O-N 3.16Å; C412-I452 WeakPolarHBondContact SG-CD1 3.21Å
413	W	98.6	Very high	98.2	Very high	6 Å²	6	17.1 Å²	17.1	2%	0.023	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-42.3	176.7	-176.6	90.5	0	0	0	111.4	L276 V278 L283 M311 F330 Y409 A410 Y411 K416 H417 L421	L276-W413 HydrophobicContact CD1-CH2 4.42Å; V278-W413 HydrophobicContact CG1-CD2 4.11Å; V278-W413 HydrophobicContact CG1-CG 3.8Å; V278-W413 HydrophobicContact CG2-CD2 3.78Å; V278-W413 HydrophobicContact CG2-CE3 4.12Å; V278-W413 HydrophobicContact CG2-CG 4.33Å; V278-W413 HydrophobicContact CG2-CH2 4.03Å; V278-W413 HydrophobicContact CG2-CZ2 3.67Å; V278-W413 HydrophobicContact CG2-CZ3 4.23Å; L283-W413 HydrophobicContact CD1-CB 3.9Å; M311-W413 HydrophobicContact CE-CE3 4.21Å; M311-W413 HydrophobicContact SD-CE3 3.87Å; M311-W413 HydrophobicContact SD-CH2 4.44Å; M311-W413 HydrophobicContact SD-CZ3 3.67Å; F330-W413 HydrophobicContact CD2-CZ2 4.2Å; F330-W413 HydrophobicContact CE2-CZ2 4.07Å; F330-W413 HydrophobicContact CZ-CZ2 4.37Å; Y409-W413 WeakPolarHBondContact O-CB 3.47Å; Y409-W413 PolarHBondContact O-N 3.09Å; A410-W413 PolarHBondContact O-N 3.49Å; Y411-W413 PolarHBondContact O-N 3.5Å; W413-K416 PolarHBondContact O-N 2.91Å; W413-H417 AromaticContact CD1-CE1 3.49Å; W413-H417 VanDerWaalsContact CD1-CE1 3.49Å; W413-H417 AromaticContact CD1-ND1 3.4Å; W413-H417 HydrophobicContact CD2-CB 4.46Å; W413-H417 AromaticContact CD2-ND1 3.74Å; W413-H417 AromaticContact CE2-CG 3.88Å; W413-H417 AromaticContact CE2-ND1 3.49Å; W413-H417 AromaticContact CG-ND1 3.69Å; W413-H417 HydrophobicContact CH2-CB 4.29Å; W413-H417 HydrophobicContact CZ2-CB 4.09Å; W413-H417 AromaticContact NE1-CE1 3.35Å; W413-H417 PolarHBondContact NE1-CE1 3.43Å; W413-H417 AromaticContact NE1-CG 3.95Å; W413-H417 AromaticContact NE1-ND1 3.26Å; W413-H417 PolarHBondContact NE1-ND1 2.86Å; W413-H417 PolarHBondContact O-N 2.84Å; W413-H417 PolarHBondContact O-ND1 3.31Å; W413-L421 HydrophobicContact CH2-CD2 4.28Å; W413-L421 HydrophobicContact CZ3-CD1 4.38Å; W413-L421 HydrophobicContact CZ3-CD2 3.96Å; W413-L421 HydrophobicContact CZ3-CG 4.49Å
414	A	98.6	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.2	-38	178.6	0	0	0	0	0	112.6	L355 I357 L388 A410 Y411 C412 C418 L421	L355-A414 HydrophobicContact CD2-CB 4.19Å; I357-A414 HydrophobicContact CD1-CB 3.75Å; I357-A414 HydrophobicContact CG1-CB 4.43Å; L388-A414 HydrophobicContact CD2-CB 3.66Å; A410-A414 VanDerWaalsContact O-CB 3.27Å; A410-A414 WeakPolarHBondContact O-CB 3.46Å; A410-A414 PolarHBondContact O-N 3.32Å; Y411-A414 PolarHBondContact O-N 3.04Å; C412-A414 VanDerWaalsContact C-N 3.33Å; C412-A414 PolarHBondContact O-N 2.65Å; A414-C418 VanDerWaalsContact O-CA 3.22Å; A414-C418 WeakPolarHBondContact O-CA 3.42Å; A414-C418 VanDerWaalsContact O-CB 3.31Å; A414-C418 WeakPolarHBondContact O-CB 3.42Å; A414-C418 PolarHBondContact O-N 3.29Å; A414-L421 HydrophobicContact CB-CD1 3.89Å
415	L	98.3	Very high	98.2	Very high	27 Å²	27	20.3 Å²	20.3	14%	0.141	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-43.9	172.8	-70.6	-178.3	0	0	0	111.9	L285 Y411 C412 V428 I452	L285-L415 HydrophobicContact CD2-CB 4.01Å; L285-L415 HydrophobicContact CD2-CD1 4.16Å; Y411-L415 HydrophobicContact CD1-CD1 4.4Å; Y411-L415 HydrophobicContact CE1-CD1 3.71Å; Y411-L415 HydrophobicContact CE1-CG 4.42Å; Y411-L415 HydrophobicContact CE2-CD1 4.28Å; Y411-L415 HydrophobicContact CE2-CD2 4.3Å; Y411-L415 HydrophobicContact CE2-CG 4.23Å; Y411-L415 WeakPolarHBondContact O-CG 3.28Å; Y411-L415 PolarHBondContact O-N 2.97Å; C412-L415 PolarHBondContact O-N 3.44Å; L415-V428 HydrophobicContact CD2-CG2 3.91Å; L415-I452 HydrophobicContact CD1-CG2 4.07Å
416	K	97.6	Very high	98.1	Very high	98 Å²	98	23.8 Å²	23.8	43%	0.426	12%	0.117	S	C	.	.	H	α-helix	trans	-70.1	-35.4	-179	-178.3	177	171	-171.3	0	112.6	L283 C412 W413	L283-K416 HydrophobicContact CD2-CD 4.38Å; C412-K416 PolarHBondContact O-N 3.24Å; C412-K416 VanDerWaalsContact O-N 3.16Å; W413-K416 PolarHBondContact O-N 2.91Å
417	H	98.1	Very high	98.1	Very high	24 Å²	24	26.1 Å²	26.1	11%	0.111	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	25.9	-173.8	-53.1	90.7	0	0	0	113.1	W413 H419 L420	W413-H417 AromaticContact CD1-CE1 3.49Å; W413-H417 VanDerWaalsContact CD1-CE1 3.49Å; W413-H417 AromaticContact CD1-ND1 3.4Å; W413-H417 HydrophobicContact CD2-CB 4.46Å; W413-H417 AromaticContact CD2-ND1 3.74Å; W413-H417 AromaticContact CE2-CG 3.88Å; W413-H417 AromaticContact CE2-ND1 3.49Å; W413-H417 AromaticContact CG-ND1 3.69Å; W413-H417 HydrophobicContact CH2-CB 4.29Å; W413-H417 HydrophobicContact CZ2-CB 4.09Å; W413-H417 AromaticContact NE1-CE1 3.35Å; W413-H417 PolarHBondContact NE1-CE1 3.43Å; W413-H417 AromaticContact NE1-CG 3.95Å; W413-H417 AromaticContact NE1-ND1 3.26Å; W413-H417 PolarHBondContact NE1-ND1 2.86Å; W413-H417 PolarHBondContact O-N 2.84Å; W413-H417 PolarHBondContact O-ND1 3.31Å; H417-H419 PolarHBondContact O-N 2.95Å; H417-H419 VanDerWaalsContact O-N 3.07Å; H417-L420 HydrophobicContact CB-CD1 4.05Å; H417-L420 HydrophobicContact CB-CG 4.33Å; H417-L420 WeakPolarHBondContact O-CB 3.43Å; H417-L420 PolarHBondContact O-N 3.48Å
418	C	97.8	Very high	98.1	Very high	18 Å²	18	26.1 Å²	26.1	12%	0.122	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.6	-174.7	64.8	0	0	0	0	113.2	A414 L420 L421 G422 S423 A425	A414-C418 VanDerWaalsContact O-CA 3.22Å; A414-C418 WeakPolarHBondContact O-CA 3.42Å; A414-C418 VanDerWaalsContact O-CB 3.31Å; A414-C418 WeakPolarHBondContact O-CB 3.42Å; A414-C418 PolarHBondContact O-N 3.29Å; C418-L420 VanDerWaalsContact C-N 3.3Å; C418-L420 PolarHBondContact O-N 2.8Å; C418-L421 CarbonylContact O-C 3.55Å; C418-L421 WeakPolarHBondContact O-CA 3.4Å; C418-L421 WeakPolarHBondContact O-CB 3.45Å; C418-L421 PolarHBondContact O-N 3.07Å; C418-G422 PolarHBondContact O-N 3.42Å; C418-S423 CarbonylContact C-O 3.51Å; C418-S423 CarbonylContact O-C 2.98Å; C418-S423 PolarHBondContact O-N 3.2Å; C418-S423 PolarHBondContact SG-O 3.2Å; C418-A425 HydrophobicContact CB-CB 3.55Å
419	H	97.4	Very high	98.1	Very high	96 Å²	96	25.3 Å²	25.3	44%	0.444	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-35.8	177.3	65.1	-81.6	0	0	0	112.5	H417 L421 G422 S423	H417-H419 PolarHBondContact O-N 2.95Å; H417-H419 VanDerWaalsContact O-N 3.07Å; H419-L421 PolarHBondContact O-N 3.49Å; H419-G422 PolarHBondContact O-N 3.41Å; H419-S423 WeakPolarHBondContact CA-O 3.44Å; H419-S423 PolarHBondContact N-O 2.96Å
420	L	97.3	Very high	98.1	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.9	173.6	-58.5	-176	0	0	0	111.5	G321 E326 L327 F330 H417 C418 G422	G321-L420 CarbonylContact C-O 3.45Å; E326-L420 HydrophobicContact CB-CD2 4.19Å; E326-L420 HydrophobicContact CG-CD1 3.93Å; E326-L420 HydrophobicContact CG-CD2 4.17Å; L327-L420 HydrophobicContact CB-CB 4.34Å; L327-L420 HydrophobicContact CD1-CB 4.08Å; L327-L420 WeakPolarHBondContact CD2-O 3.34Å; F330-L420 HydrophobicContact CE2-CD1 4.23Å; H417-L420 HydrophobicContact CB-CD1 4.05Å; H417-L420 HydrophobicContact CB-CG 4.33Å; H417-L420 WeakPolarHBondContact O-CB 3.43Å; H417-L420 PolarHBondContact O-N 3.48Å; C418-L420 VanDerWaalsContact C-N 3.3Å; C418-L420 PolarHBondContact O-N 2.8Å; L420-G422 PolarHBondContact O-N 2.9Å
421	L	97.8	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	2.6	-179.5	-52	-179	0	0	0	113	L276 L313 Q322 L327 L355 P386 L388 W413 A414 C418 H419	L276-L421 HydrophobicContact CD1-CD2 4.33Å; L313-L421 HydrophobicContact CD1-CB 4.33Å; L313-L421 HydrophobicContact CD1-CD2 4.23Å; L313-L421 HydrophobicContact CD2-CD2 4.18Å; Q322-L421 PolarHBondContact NE2-O 3.37Å; L327-L421 HydrophobicContact CD1-CD2 4.4Å; L355-L421 HydrophobicContact CD1-CB 4.32Å; L355-L421 HydrophobicContact CD1-CD1 4.23Å; L355-L421 HydrophobicContact CD2-CD1 4.12Å; P386-L421 WeakPolarHBondContact CB-O 3.48Å; L388-L421 HydrophobicContact CD1-CD1 4.49Å; L388-L421 HydrophobicContact CD1-CD2 4.12Å; L388-L421 HydrophobicContact CD2-CD1 3.88Å; W413-L421 HydrophobicContact CH2-CD2 4.28Å; W413-L421 HydrophobicContact CZ3-CD1 4.38Å; W413-L421 HydrophobicContact CZ3-CD2 3.96Å; W413-L421 HydrophobicContact CZ3-CG 4.49Å; A414-L421 HydrophobicContact CB-CD1 3.89Å; C418-L421 CarbonylContact O-C 3.55Å; C418-L421 WeakPolarHBondContact O-CA 3.4Å; C418-L421 WeakPolarHBondContact O-CB 3.45Å; C418-L421 PolarHBondContact O-N 3.07Å; H419-L421 PolarHBondContact O-N 3.49Å
422	G	97.6	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	31	-175.2	0	0	0	0	0	113.1	R319 E320 P351 S352 C418 H419 L420	R319-G422 VanDerWaalsContact CD-O 3.22Å; R319-G422 WeakPolarHBondContact CD-O 3.22Å; E320-G422 WeakPolarHBondContact O-CA 3.34Å; P351-G422 WeakPolarHBondContact CA-O 3.49Å; S352-G422 PolarHBondContact N-O 3.08Å; C418-G422 PolarHBondContact O-N 3.42Å; H419-G422 PolarHBondContact O-N 3.41Å; L420-G422 PolarHBondContact O-N 2.9Å
423	S	98.3	Very high	98	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152	-179.5	-171.5	0	0	0	0	112.5	S352 W354 C418 H419 A425	S352-S423 CarbonylContact O-C 3.54Å; S352-S423 WeakPolarHBondContact O-CA 3.4Å; S352-S423 PolarHBondContact O-OG 3.14Å; S352-S423 VanDerWaalsContact O-OG 3.07Å; W354-S423 PolarHBondContact O-OG 2.93Å; C418-S423 CarbonylContact C-O 3.51Å; C418-S423 CarbonylContact O-C 2.98Å; C418-S423 PolarHBondContact O-N 3.2Å; C418-S423 PolarHBondContact SG-O 3.2Å; H419-S423 WeakPolarHBondContact CA-O 3.44Å; H419-S423 PolarHBondContact N-O 2.96Å; S423-A425 PolarHBondContact OG-N 3.13Å
424	T	97.9	Very high	97.9	Very high	76 Å²	76	25.7 Å²	25.7	47%	0.466	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-8.9	165.9	69.1	0	0	0	0	112.3	P351 S352 P353 E426	P351-T424 HydrophobicContact CB-CG2 3.96Å; S352-T424 PolarHBondContact O-N 3.5Å; P353-T424 WeakPolarHBondContact CA-OG1 3.39Å; T424-E426 PolarHBondContact O-N 2.95Å; T424-E426 VanDerWaalsContact O-N 3.11Å; T424-E426 PolarHBondContact OG1-N 3.17Å
425	A	97.4	Very high	97.9	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.6	35	-172.9	0	0	0	0	0	113.1	L355 C418 S423 R427 V428 R453	L355-A425 HydrophobicContact CB-CB 4.5Å; L355-A425 HydrophobicContact CD2-CB 4.5Å; C418-A425 HydrophobicContact CB-CB 3.55Å; S423-A425 PolarHBondContact OG-N 3.13Å; A425-R427 PolarHBondContact O-N 3.47Å; A425-V428 HydrophobicContact CB-CG2 3.84Å; A425-R453 PolarHBondContact O-NH1 3.37Å; A425-R453 PolarHBondContact O-NH2 3.34Å
426	E	96.9	Very high	97.9	Very high	126 Å²	126	24.4 Å²	24.4	59%	0.589	12%	0.119	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	-39.1	170.1	-173.2	-171.7	152.3	0	0	109.7	P353 T424 R453	P353-E426 HydrophobicContact CB-CB 4.33Å; P353-E426 WeakPolarHBondContact O-CA 3.35Å; P353-E426 VanDerWaalsContact O-CB 3.3Å; P353-E426 WeakPolarHBondContact O-CB 3.34Å; P353-E426 PolarHBondContact O-N 3.22Å; T424-E426 PolarHBondContact O-N 2.95Å; T424-E426 VanDerWaalsContact O-N 3.11Å; T424-E426 PolarHBondContact OG1-N 3.17Å; E426-R453 PolarHBondContact O-NH2 2.87Å
427	R	98.1	Very high	97.9	Very high	51 Å²	51	19.7 Å²	19.7	19%	0.192	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.7	165.4	-62.5	-176.3	173.5	-139.4	-3.8	112.9	P353 W354 L355 A425 D456 V681 F682 Q683	P353-R427 PolarHBondContact O-N 3.42Å; W354-R427 CarbonylContact C-O 3.54Å; W354-R427 VanDerWaalsContact CA-O 3.29Å; W354-R427 WeakPolarHBondContact CA-O 3.5Å; L355-R427 PolarHBondContact N-O 2.97Å; A425-R427 PolarHBondContact O-N 3.47Å; R427-D456 WeakPolarHBondContact CA-OD2 3.47Å; R427-D456 HydrophobicContact CB-CB 4.33Å; R427-V681 PolarHBondContact NH1-O 3.11Å; R427-F682 HydrophobicContact CB-CD1 4.07Å; R427-F682 VanDerWaalsContact CD-O 3.28Å; R427-F682 WeakPolarHBondContact CD-O 3.15Å; R427-Q683 VanDerWaalsContact NH1-C 3.26Å; R427-Q683 PolarHBondContact NH1-O 3.06Å
428	V	98.7	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.6	179	-175.2	0	0	0	0	109.7	L355 I357 Y411 L415 A425 P455 D456	L355-V428 HydrophobicContact CB-CG2 4.42Å; L355-V428 WeakPolarHBondContact O-CA 3.17Å; I357-V428 HydrophobicContact CD1-CG1 3.84Å; I357-V428 HydrophobicContact CG1-CG1 4.32Å; Y411-V428 HydrophobicContact CE2-CG1 4.14Å; L415-V428 HydrophobicContact CD2-CG2 3.91Å; A425-V428 HydrophobicContact CB-CG2 3.84Å; V428-P455 HydrophobicContact CB-CB 4.2Å; V428-P455 HydrophobicContact CG1-CB 4.15Å; V428-P455 CarbonylContact O-C 3.57Å; V428-P455 WeakPolarHBondContact O-CB 3.4Å; V428-D456 PolarHBondContact N-OD2 3.07Å; V428-D456 PolarHBondContact O-N 2.94Å
429	C	98.8	Very high	98	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.5	169.6	-174.9	0	0	0	0	108.4	L355 L356 I357 I678 V681 F682	L355-C429 PolarHBondContact O-N 2.94Å; L356-C429 HydrophobicContact CD1-CB 3.74Å; I357-C429 PolarHBondContact N-O 2.86Å; C429-I678 HydrophobicContact CB-CG2 4.35Å; C429-V681 HydrophobicContact CB-CB 4.33Å; C429-V681 HydrophobicContact CB-CG1 3.91Å; C429-F682 HydrophobicContact CB-CD1 4.46Å; C429-F682 HydrophobicContact CB-CE1 3.55Å; C429-F682 HydrophobicContact CB-CZ 3.58Å
430	L	98.9	Very high	98.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132	162	-60.8	-172	0	0	0	108.6	I357 F359 Y411 C440 V443 C444 P455 G457 I458 M459	I357-L430 HydrophobicContact CB-CD2 3.67Å; I357-L430 HydrophobicContact CD1-CD2 4.27Å; I357-L430 HydrophobicContact CG1-CD2 4.49Å; I357-L430 HydrophobicContact CG2-CD2 4.01Å; I357-L430 CarbonylContact O-C 3.51Å; I357-L430 WeakPolarHBondContact O-CA 3.48Å; F359-L430 HydrophobicContact CE2-CD1 4.14Å; F359-L430 HydrophobicContact CE2-CD2 4.44Å; F359-L430 HydrophobicContact CZ-CD2 4.37Å; Y411-L430 HydrophobicContact CD2-CD2 3.85Å; Y411-L430 HydrophobicContact CE2-CD2 4.19Å; L430-C440 HydrophobicContact CB-CB 4.07Å; L430-V443 HydrophobicContact CD1-CB 4.41Å; L430-V443 HydrophobicContact CD1-CG1 4.05Å; L430-C444 VanDerWaalsContact CD1-SG 3.59Å; L430-P455 HydrophobicContact CD1-CG 3.84Å; L430-P455 HydrophobicContact CD2-CB 4.5Å; L430-P455 HydrophobicContact CG-CB 3.91Å; L430-P455 HydrophobicContact CG-CG 3.72Å; L430-G457 PolarHBondContact N-O 3.23Å; L430-I458 HydrophobicContact CB-CG1 4.47Å; L430-I458 CarbonylContact O-C 3.55Å; L430-I458 WeakPolarHBondContact O-CA 3.49Å; L430-M459 PolarHBondContact O-N 2.88Å
431	A	98.8	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.1	174.9	0	0	0	0	0	110.8	L356 I357 H358 F359 W379 C440 M459 I678	L356-A431 HydrophobicContact CD1-CB 3.66Å; L356-A431 HydrophobicContact CG-CB 4.33Å; I357-A431 PolarHBondContact O-N 2.91Å; H358-A431 CarbonylContact C-O 3.6Å; H358-A431 WeakPolarHBondContact CA-O 3.41Å; H358-A431 PolarHBondContact CD2-O 3.17Å; F359-A431 PolarHBondContact N-O 2.99Å; W379-A431 HydrophobicContact CZ3-CB 4.25Å; A431-C440 PolarHBondContact O-SG 2.76Å; A431-M459 VanDerWaalsContact CA-O 3.22Å; A431-M459 WeakPolarHBondContact CA-O 3.24Å; A431-M459 HydrophobicContact CB-CE 3.76Å; A431-I678 HydrophobicContact CB-CD1 4.39Å
432	G	98.3	Very high	98.2	Very high	1 Å²	1	13 Å²	13	1%	0.01	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	163.1	175.3	0	0	0	0	0	112.2	F359 C440 M459 A460 A461	F359-G432 WeakPolarHBondContact O-CA 3.3Å; G432-C440 PolarHBondContact N-SG 3.32Å; G432-M459 PolarHBondContact N-O 2.74Å; G432-M459 VanDerWaalsContact N-O 3.09Å; G432-A460 WeakPolarHBondContact O-CA 3.47Å; G432-A461 PolarHBondContact O-N 3.06Å
433	D	97.3	Very high	98.2	Very high	4 Å²	4	13 Å²	13	2%	0.021	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.9	-176	76.2	-71.2	0	0	0	110.7	H358 G361 H372 Y375 A435 G436 G437 A461 Y462 L658	H358-D433 IonicContact NE2-OD1 3.03Å; G361-D433 WeakPolarHBondContact CA-O 3.2Å; G361-D433 PolarHBondContact N-O 3.05Å; G361-D433 PolarHBondContact N-OD1 3.08Å; H372-D433 IonicContact CD2-OD1 2.76Å; H372-D433 IonicContact NE2-OD1 3.14Å; H372-D433 IonicContact NE2-OD2 3.41Å; Y375-D433 PolarHBondContact OH-OD1 3.03Å; D433-A435 PolarHBondContact O-N 3.32Å; D433-G436 WeakPolarHBondContact O-CA 3.25Å; D433-G436 PolarHBondContact O-N 3.01Å; D433-G437 PolarHBondContact O-N 3.02Å; D433-A461 CarbonylContact C-O 3.35Å; D433-A461 VanDerWaalsContact CA-O 3.31Å; D433-A461 WeakPolarHBondContact CA-O 3.31Å; D433-A461 HydrophobicContact CB-CB 4.13Å; D433-Y462 HydrophobicContact CB-CD2 4.49Å; D433-Y462 HydrophobicContact CB-CE2 3.6Å; D433-L658 HydrophobicContact CB-CD1 3.99Å
434	S	96.9	Very high	98.2	Very high	11 Å²	11	13 Å²	13	8%	0.077	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-115.1	179.6	-169.1	0	0	0	0	112.7	G436 G437 N438 A461 Y462 P463 A464 H655	S434-G436 VanDerWaalsContact C-N 3.32Å; S434-G436 PolarHBondContact O-N 2.79Å; S434-G437 PolarHBondContact O-N 3.09Å; S434-N438 PolarHBondContact O-N 3.5Å; S434-A461 PolarHBondContact N-O 3.2Å; S434-Y462 WeakPolarHBondContact CA-O 3.32Å; S434-P463 WeakPolarHBondContact O-CA 3.23Å; S434-A464 PolarHBondContact O-N 3.32Å; S434-A464 VanDerWaalsContact O-N 3.09Å; S434-H655 WeakPolarHBondContact CB-NE2 3.41Å; S434-H655 PolarHBondContact OG-CE1 3Å; S434-H655 VanDerWaalsContact OG-CE1 3.27Å; S434-H655 PolarHBondContact OG-NE2 3.11Å
435	A	97.3	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.8	-36.2	172.6	0	0	0	0	0	113.4	F364 D433 G437 N438 L439	F364-A435 HydrophobicContact CD1-CB 3.93Å; F364-A435 HydrophobicContact CD2-CB 3.7Å; F364-A435 HydrophobicContact CE1-CB 3.79Å; F364-A435 HydrophobicContact CE2-CB 3.51Å; F364-A435 HydrophobicContact CG-CB 3.9Å; F364-A435 HydrophobicContact CZ-CB 3.58Å; D433-A435 PolarHBondContact O-N 3.32Å; A435-G437 VanDerWaalsContact C-N 3.33Å; A435-G437 PolarHBondContact O-N 2.84Å; A435-N438 VanDerWaalsContact O-CB 3.27Å; A435-N438 WeakPolarHBondContact O-CB 3.48Å; A435-N438 PolarHBondContact O-N 2.85Å; A435-L439 PolarHBondContact O-N 2.86Å; A435-L439 VanDerWaalsContact O-N 3.09Å
436	G	98.3	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.3	-36.3	174.7	0	0	0	0	0	112.8	F359 H360 D433 S434 N438 L439 C440	F359-G436 VanDerWaalsContact O-CA 3.3Å; F359-G436 WeakPolarHBondContact O-CA 3.22Å; H360-G436 WeakPolarHBondContact O-CA 3.12Å; H360-G436 PolarHBondContact O-N 3.09Å; H360-G436 VanDerWaalsContact O-N 3.13Å; D433-G436 WeakPolarHBondContact O-CA 3.25Å; D433-G436 PolarHBondContact O-N 3.01Å; S434-G436 VanDerWaalsContact C-N 3.32Å; S434-G436 PolarHBondContact O-N 2.79Å; G436-N438 VanDerWaalsContact C-N 3.31Å; G436-N438 PolarHBondContact O-N 2.9Å; G436-L439 WeakPolarHBondContact O-CB 3.44Å; G436-L439 PolarHBondContact O-N 3.47Å; G436-L439 VanDerWaalsContact O-N 3.16Å; G436-C440 PolarHBondContact O-N 3.37Å; G436-C440 PolarHBondContact O-SG 2.99Å
437	G	98.4	Very high	98.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.4	-34.8	173.4	0	0	0	0	0	112.9	D433 S434 A435 C440 I441	D433-G437 PolarHBondContact O-N 3.02Å; S434-G437 PolarHBondContact O-N 3.09Å; A435-G437 VanDerWaalsContact C-N 3.33Å; A435-G437 PolarHBondContact O-N 2.84Å; G437-C440 PolarHBondContact O-N 3.29Å; G437-I441 PolarHBondContact O-N 3.35Å
438	N	98.7	Very high	98.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.1	-49.6	168.9	178	-68.6	0	0	0	111	F364 S434 A435 G436 C440 I441 T442 A464 V601 P603	F364-N438 HydrophobicContact CZ-CB 3.99Å; S434-N438 PolarHBondContact O-N 3.5Å; A435-N438 VanDerWaalsContact O-CB 3.27Å; A435-N438 WeakPolarHBondContact O-CB 3.48Å; A435-N438 PolarHBondContact O-N 2.85Å; G436-N438 VanDerWaalsContact C-N 3.31Å; G436-N438 PolarHBondContact O-N 2.9Å; N438-C440 VanDerWaalsContact C-N 3.28Å; N438-C440 PolarHBondContact O-N 2.88Å; N438-I441 WeakPolarHBondContact O-CB 3.23Å; N438-I441 PolarHBondContact O-N 3.39Å; N438-T442 PolarHBondContact O-N 3.5Å; N438-T442 PolarHBondContact O-OG1 3.48Å; N438-T442 VanDerWaalsContact O-OG1 3.13Å; N438-A464 WeakPolarHBondContact CB-O 3.44Å; N438-A464 PolarHBondContact ND2-O 3.4Å; N438-V601 PolarHBondContact ND2-O 3.49Å; N438-P603 VanDerWaalsContact ND2-CD 3.25Å; N438-P603 WeakPolarHBondContact ND2-CD 3.18Å
439	L	98.8	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.6	-36.2	179.4	-69.6	165.2	0	0	0	112.3	F359 F364 Y392 A403 L404 A435 G436 I441 T442 V443	F359-L439 HydrophobicContact CB-CB 4.13Å; F359-L439 HydrophobicContact CB-CD1 4.43Å; F359-L439 HydrophobicContact CD2-CB 3.78Å; F359-L439 HydrophobicContact CG-CB 4.14Å; F364-L439 HydrophobicContact CD1-CD1 4.45Å; F364-L439 HydrophobicContact CE1-CD1 4.17Å; F364-L439 HydrophobicContact CE1-CD2 4.3Å; F364-L439 HydrophobicContact CE1-CG 3.99Å; Y392-L439 HydrophobicContact CD1-CD1 3.79Å; Y392-L439 HydrophobicContact CD2-CD1 4.5Å; Y392-L439 HydrophobicContact CE1-CD1 3.41Å; Y392-L439 VanDerWaalsContact CE1-CD1 3.41Å; Y392-L439 HydrophobicContact CE2-CD1 4.21Å; Y392-L439 HydrophobicContact CG-CD1 4.32Å; A403-L439 HydrophobicContact CB-CD2 4.38Å; L404-L439 HydrophobicContact CB-CD2 4.31Å; A435-L439 PolarHBondContact O-N 2.86Å; A435-L439 VanDerWaalsContact O-N 3.09Å; G436-L439 WeakPolarHBondContact O-CB 3.44Å; G436-L439 PolarHBondContact O-N 3.47Å; G436-L439 VanDerWaalsContact O-N 3.16Å; L439-I441 VanDerWaalsContact C-N 3.3Å; L439-I441 PolarHBondContact O-N 2.93Å; L439-T442 WeakPolarHBondContact CA-OG1 3.42Å; L439-T442 PolarHBondContact O-N 2.88Å; L439-T442 PolarHBondContact O-OG1 2.95Å; L439-V443 WeakPolarHBondContact O-CB 3.39Å; L439-V443 WeakPolarHBondContact O-CG2 3.39Å; L439-V443 PolarHBondContact O-N 3.44Å
440	C	98.8	Very high	97.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.7	-44.3	174.3	-65.2	0	0	0	0	112.2	F359 L430 A431 G432 G436 G437 N438 C444 I458	F359-C440 HydrophobicContact CD2-CB 4.39Å; F359-C440 VanDerWaalsContact CD2-SG 3.6Å; L430-C440 HydrophobicContact CB-CB 4.07Å; A431-C440 PolarHBondContact O-SG 2.76Å; G432-C440 PolarHBondContact N-SG 3.32Å; G436-C440 PolarHBondContact O-N 3.37Å; G436-C440 PolarHBondContact O-SG 2.99Å; G437-C440 PolarHBondContact O-N 3.29Å; N438-C440 VanDerWaalsContact C-N 3.28Å; N438-C440 PolarHBondContact O-N 2.88Å; C440-C444 PolarHBondContact O-N 2.68Å; C440-C444 PolarHBondContact O-SG 3.19Å; C440-I458 HydrophobicContact CB-CG2 3.79Å
441	I	98.8	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.4	-48.6	-179.2	-63.3	160	0	0	0	110	G437 N438 L439 C444 M445 I458 T465 P603 F634	G437-I441 PolarHBondContact O-N 3.35Å; N438-I441 WeakPolarHBondContact O-CB 3.23Å; N438-I441 PolarHBondContact O-N 3.39Å; L439-I441 VanDerWaalsContact C-N 3.3Å; L439-I441 PolarHBondContact O-N 2.93Å; I441-C444 WeakPolarHBondContact O-CB 3.5Å; I441-C444 PolarHBondContact O-N 3.49Å; I441-M445 HydrophobicContact CG2-SD 4.04Å; I441-M445 WeakPolarHBondContact O-CG 3.35Å; I441-M445 PolarHBondContact O-N 2.72Å; I441-I458 HydrophobicContact CG1-CD1 4.48Å; I441-T465 HydrophobicContact CD1-CG2 3.84Å; I441-P603 HydrophobicContact CB-CB 4.49Å; I441-P603 HydrophobicContact CB-CG 4.48Å; I441-P603 HydrophobicContact CD1-CG 4.44Å; I441-P603 HydrophobicContact CG2-CB 3.65Å; I441-P603 HydrophobicContact CG2-CG 4.14Å; I441-F634 HydrophobicContact CD1-CD1 4.19Å; I441-F634 HydrophobicContact CD1-CE1 3.52Å; I441-F634 HydrophobicContact CD1-CZ 4.01Å; I441-F634 HydrophobicContact CG1-CE1 4.15Å; I441-F634 HydrophobicContact CG1-CZ 4.45Å; I441-F634 HydrophobicContact CG2-CE1 4.35Å; I441-F634 HydrophobicContact CG2-CZ 3.8Å
442	T	98.6	Very high	97.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-73.9	-30.6	-173.3	56.6	0	0	0	0	112.5	N438 L439 M445 R446 F600 P603	N438-T442 PolarHBondContact O-N 3.5Å; N438-T442 PolarHBondContact O-OG1 3.48Å; N438-T442 VanDerWaalsContact O-OG1 3.13Å; L439-T442 WeakPolarHBondContact CA-OG1 3.42Å; L439-T442 PolarHBondContact O-N 2.88Å; L439-T442 PolarHBondContact O-OG1 2.95Å; T442-M445 HydrophobicContact CG2-SD 4.31Å; T442-M445 PolarHBondContact O-N 2.69Å; T442-R446 WeakPolarHBondContact O-CB 3.41Å; T442-R446 PolarHBondContact O-N 2.74Å; T442-F600 WeakPolarHBondContact CG2-O 3.35Å; T442-P603 HydrophobicContact CG2-CB 4.28Å; T442-P603 HydrophobicContact CG2-CG 4.24Å
443	V	98.8	Very high	97.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-41.5	167.5	166.7	0	0	0	0	111.2	F359 L404 C407 F408 Y411 L430 L439 R446 A447	F359-V443 HydrophobicContact CE2-CB 4.17Å; F359-V443 HydrophobicContact CE2-CG1 4.43Å; F359-V443 HydrophobicContact CE2-CG2 3.87Å; F359-V443 HydrophobicContact CZ-CG1 4.39Å; F359-V443 HydrophobicContact CZ-CG2 4.06Å; L404-V443 HydrophobicContact CD1-CG2 3.93Å; C407-V443 HydrophobicContact CB-CG2 3.67Å; F408-V443 HydrophobicContact CB-CG2 4.33Å; F408-V443 HydrophobicContact CD2-CG1 4.34Å; Y411-V443 HydrophobicContact CD1-CG1 4.31Å; Y411-V443 HydrophobicContact CG-CG1 4.18Å; L430-V443 HydrophobicContact CD1-CB 4.41Å; L430-V443 HydrophobicContact CD1-CG1 4.05Å; L439-V443 WeakPolarHBondContact O-CB 3.39Å; L439-V443 WeakPolarHBondContact O-CG2 3.39Å; L439-V443 PolarHBondContact O-N 3.44Å; V443-R446 WeakPolarHBondContact O-CB 3.46Å; V443-R446 PolarHBondContact O-N 3.21Å; V443-A447 WeakPolarHBondContact O-CB 3.34Å; V443-A447 PolarHBondContact O-N 3.39Å
444	C	98.6	Very high	97.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.8	-41.3	175.4	-70.3	0	0	0	0	112.2	L430 C440 I441 R446 A447 L448 L454 P455 I458 L614	L430-C444 VanDerWaalsContact CD1-SG 3.59Å; C440-C444 PolarHBondContact O-N 2.68Å; C440-C444 PolarHBondContact O-SG 3.19Å; I441-C444 WeakPolarHBondContact O-CB 3.5Å; I441-C444 PolarHBondContact O-N 3.49Å; C444-R446 VanDerWaalsContact C-N 3.25Å; C444-R446 PolarHBondContact O-N 2.91Å; C444-A447 PolarHBondContact O-N 3.25Å; C444-L448 WeakPolarHBondContact O-CB 3.31Å; C444-L448 PolarHBondContact O-N 2.98Å; C444-L454 HydrophobicContact CB-CD2 4.16Å; C444-L454 WeakPolarHBondContact O-CD2 3.45Å; C444-P455 WeakPolarHBondContact SG-CG 3.49Å; C444-I458 HydrophobicContact CB-CD1 4.19Å; C444-L614 HydrophobicContact CB-CD2 3.45Å; C444-L614 VanDerWaalsContact CB-CD2 3.45Å
445	M	98.5	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-38.9	172.7	-66.1	165.7	59.7	0	0	111.5	I441 T442 T449 P599 F600 P603 A606 L610 L611 L614	I441-M445 HydrophobicContact CG2-SD 4.04Å; I441-M445 WeakPolarHBondContact O-CG 3.35Å; I441-M445 PolarHBondContact O-N 2.72Å; T442-M445 HydrophobicContact CG2-SD 4.31Å; T442-M445 PolarHBondContact O-N 2.69Å; M445-T449 PolarHBondContact O-N 3.15Å; M445-T449 VanDerWaalsContact O-N 3.16Å; M445-T449 PolarHBondContact O-OG1 3.25Å; M445-P599 HydrophobicContact CE-CB 4.01Å; M445-F600 HydrophobicContact CB-CD1 4.32Å; M445-F600 HydrophobicContact CB-CE1 3.63Å; M445-F600 HydrophobicContact CB-CZ 4.28Å; M445-F600 HydrophobicContact CE-CD1 4.29Å; M445-F600 HydrophobicContact CE-CE1 4.23Å; M445-F600 HydrophobicContact CE-CZ 4.47Å; M445-P603 HydrophobicContact SD-CB 4.11Å; M445-A606 HydrophobicContact CE-CB 3.77Å; M445-L610 HydrophobicContact CE-CB 4Å; M445-L610 HydrophobicContact CE-CD1 4.04Å; M445-L611 HydrophobicContact CG-CD2 4.45Å; M445-L611 HydrophobicContact SD-CD2 4.09Å; M445-L614 HydrophobicContact CG-CD2 4.2Å
446	R	97.9	Very high	97.7	Very high	118 Å²	118	24.4 Å²	24.4	45%	0.445	13%	0.128	S	C	.	.	H	α-helix	trans	-69.5	-43.3	177.2	-174.3	62	173.9	177.5	-1	111.8	F408 T442 V443 C444 T449 A450 F600	F408-R446 HydrophobicContact CB-CG 4.28Å; F408-R446 HydrophobicContact CD1-CG 3.75Å; F408-R446 HydrophobicContact CD2-CB 3.95Å; F408-R446 HydrophobicContact CD2-CG 3.64Å; F408-R446 HydrophobicContact CE1-CG 3.89Å; F408-R446 HydrophobicContact CE2-CB 4.25Å; F408-R446 HydrophobicContact CE2-CG 3.82Å; F408-R446 HydrophobicContact CG-CB 4.26Å; F408-R446 HydrophobicContact CG-CG 3.6Å; F408-R446 HydrophobicContact CZ-CG 3.91Å; T442-R446 WeakPolarHBondContact O-CB 3.41Å; T442-R446 PolarHBondContact O-N 2.74Å; V443-R446 WeakPolarHBondContact O-CB 3.46Å; V443-R446 PolarHBondContact O-N 3.21Å; C444-R446 VanDerWaalsContact C-N 3.25Å; C444-R446 PolarHBondContact O-N 2.91Å; R446-T449 PolarHBondContact O-N 3.08Å; R446-A450 WeakPolarHBondContact O-CB 3.35Å; R446-A450 PolarHBondContact O-N 2.98Å; R446-F600 HydrophobicContact CB-CE1 4.24Å
447	A	98	Very high	97.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-42.8	176.4	0	0	0	0	0	112.3	F408 Y411 V443 C444 T449 A450 G451 I452 L454	F408-A447 HydrophobicContact CE2-CB 4Å; Y411-A447 HydrophobicContact CE1-CB 4.23Å; V443-A447 WeakPolarHBondContact O-CB 3.34Å; V443-A447 PolarHBondContact O-N 3.39Å; C444-A447 PolarHBondContact O-N 3.25Å; A447-T449 VanDerWaalsContact C-N 3.35Å; A447-T449 PolarHBondContact O-N 3.23Å; A447-A450 CarbonylContact O-C 3.52Å; A447-A450 PolarHBondContact O-N 2.88Å; A447-G451 PolarHBondContact O-N 3.35Å; A447-I452 HydrophobicContact CB-CB 4.41Å; A447-I452 PolarHBondContact O-N 3.23Å; A447-L454 HydrophobicContact CB-CD2 3.8Å
448	L	95.5	Very high	97.8	Very high	59 Å²	59	24.4 Å²	24.4	31%	0.309	13%	0.128	S	C	.	.	H	α-helix	trans	-53.7	-51.7	171.2	-87.5	171.3	0	0	0	111.4	C444 A450 G451 L454 L614	C444-L448 WeakPolarHBondContact O-CB 3.31Å; C444-L448 PolarHBondContact O-N 2.98Å; L448-A450 VanDerWaalsContact C-N 3.28Å; L448-A450 PolarHBondContact O-N 2.82Å; L448-G451 PolarHBondContact O-N 3.14Å; L448-L454 HydrophobicContact CD2-CD1 3.56Å; L448-L454 HydrophobicContact CD2-CD2 4.44Å; L448-L454 HydrophobicContact CD2-CG 4.27Å; L448-L454 HydrophobicContact CG-CD1 3.82Å; L448-L454 HydrophobicContact CG-CD2 3.9Å; L448-L454 HydrophobicContact CG-CG 4.27Å; L448-L614 HydrophobicContact CD1-CD2 3.99Å; L448-L614 HydrophobicContact CD1-CG 4.27Å
449	T	94.6	Very high	97.8	Very high	88 Å²	88	24.4 Å²	24.4	54%	0.54	13%	0.128	S	C	.	.	H	α-helix	trans	-66	-32.6	-178	-51.1	0	0	0	0	112.1	M445 R446 A447 G451	M445-T449 PolarHBondContact O-N 3.15Å; M445-T449 VanDerWaalsContact O-N 3.16Å; M445-T449 PolarHBondContact O-OG1 3.25Å; R446-T449 PolarHBondContact O-N 3.08Å; A447-T449 VanDerWaalsContact C-N 3.35Å; A447-T449 PolarHBondContact O-N 3.23Å; T449-G451 VanDerWaalsContact C-N 3.33Å
450	A	95.7	Very high	97.8	Very high	29 Å²	29	24.4 Å²	24.4	24%	0.24	13%	0.128	C	C	.	.	H	α-helix	trans	-83.3	-5.1	179.2	0	0	0	0	0	113.9	F408 R446 A447 L448 I452	F408-A450 HydrophobicContact CZ-CB 3.81Å; R446-A450 WeakPolarHBondContact O-CB 3.35Å; R446-A450 PolarHBondContact O-N 2.98Å; A447-A450 CarbonylContact O-C 3.52Å; A447-A450 PolarHBondContact O-N 2.88Å; L448-A450 VanDerWaalsContact C-N 3.28Å; L448-A450 PolarHBondContact O-N 2.82Å; A450-I452 VanDerWaalsContact C-N 3.25Å; A450-I452 HydrophobicContact CB-CD1 4.03Å; A450-I452 HydrophobicContact CB-CG1 3.95Å; A450-I452 PolarHBondContact O-N 3.15Å
451	G	96.3	Very high	97.7	Very high	26 Å²	26	24.4 Å²	24.4	27%	0.268	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	23	-176.4	0	0	0	0	0	113.8	L287 A288 A447 L448 T449	L287-G451 WeakPolarHBondContact CA-O 3.45Å; A288-G451 PolarHBondContact N-O 3.07Å; A447-G451 PolarHBondContact O-N 3.35Å; L448-G451 PolarHBondContact O-N 3.14Å; T449-G451 VanDerWaalsContact C-N 3.33Å
452	I	97.4	Very high	97.6	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-88.9	146.8	179.3	-61.1	-178.9	0	0	0	109.2	L285 T295 V297 F408 Y411 C412 L415 A447 A450 L454	L285-I452 HydrophobicContact CD2-CG2 4.4Å; T295-I452 HydrophobicContact CG2-CD1 4.31Å; T295-I452 HydrophobicContact CG2-CG1 3.83Å; V297-I452 HydrophobicContact CG2-CD1 3.42Å; V297-I452 VanDerWaalsContact CG2-CD1 3.42Å; F408-I452 HydrophobicContact CE1-CD1 4.47Å; F408-I452 HydrophobicContact CE2-CD1 3.99Å; F408-I452 HydrophobicContact CZ-CD1 3.51Å; Y411-I452 HydrophobicContact CE1-CG2 4.27Å; C412-I452 WeakPolarHBondContact SG-CD1 3.21Å; L415-I452 HydrophobicContact CD1-CG2 4.07Å; A447-I452 HydrophobicContact CB-CB 4.41Å; A447-I452 PolarHBondContact O-N 3.23Å; A450-I452 VanDerWaalsContact C-N 3.25Å; A450-I452 HydrophobicContact CB-CD1 4.03Å; A450-I452 HydrophobicContact CB-CG1 3.95Å; A450-I452 PolarHBondContact O-N 3.15Å; I452-L454 PolarHBondContact O-N 3.17Å
453	R	96.4	Very high	97.6	Very high	95 Å²	95	24.4 Å²	24.4	36%	0.358	13%	0.128	S	C	.	.	P	Polyproline II helix	trans	-47.9	128.7	172.5	173.9	179.5	172.7	-165.3	-2.5	109.8	Y411 A425 E426 D456	Y411-R453 WeakPolarHBondContact CE1-O 3.36Å; Y411-R453 PolarHBondContact OH-O 2.96Å; A425-R453 PolarHBondContact O-NH1 3.37Å; A425-R453 PolarHBondContact O-NH2 3.34Å; E426-R453 PolarHBondContact O-NH2 2.87Å; R453-D456 IonicContact NH2-OD1 3.09Å; R453-D456 IonicContact NH2-OD2 3.21Å; R453-D456 PolarHBondContact NH2-OD2 2.75Å
454	L	97.9	Very high	97.5	Very high	37 Å²	37	24.9 Å²	24.9	19%	0.194	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-78.7	155.4	173.7	-73.8	173.9	0	0	0	112	C444 A447 L448 I452 G613	C444-L454 HydrophobicContact CB-CD2 4.16Å; C444-L454 WeakPolarHBondContact O-CD2 3.45Å; A447-L454 HydrophobicContact CB-CD2 3.8Å; L448-L454 HydrophobicContact CD2-CD1 3.56Å; L448-L454 HydrophobicContact CD2-CD2 4.44Å; L448-L454 HydrophobicContact CD2-CG 4.27Å; L448-L454 HydrophobicContact CG-CD1 3.82Å; L448-L454 HydrophobicContact CG-CD2 3.9Å; L448-L454 HydrophobicContact CG-CG 4.27Å; I452-L454 PolarHBondContact O-N 3.17Å; L454-G613 WeakPolarHBondContact CD1-O 3.43Å
455	P	98.3	Very high	97.4	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.019	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-65.3	158.4	166	31.9	-35.4	0	0	0	108.9	Y411 V428 L430 C444 G457 P615	Y411-P455 HydrophobicContact CE2-CB 4.27Å; Y411-P455 WeakPolarHBondContact OH-CD 3.48Å; V428-P455 HydrophobicContact CB-CB 4.2Å; V428-P455 HydrophobicContact CG1-CB 4.15Å; V428-P455 CarbonylContact O-C 3.57Å; V428-P455 WeakPolarHBondContact O-CB 3.4Å; L430-P455 HydrophobicContact CD1-CG 3.84Å; L430-P455 HydrophobicContact CD2-CB 4.5Å; L430-P455 HydrophobicContact CG-CB 3.91Å; L430-P455 HydrophobicContact CG-CG 3.72Å; C444-P455 WeakPolarHBondContact SG-CG 3.49Å; P455-G457 PolarHBondContact O-N 3.02Å; P455-P615 HydrophobicContact CG-CG 4.17Å; P455-P615 WeakPolarHBondContact O-CB 3.44Å
456	D	98.3	Very high	97.2	Very high	53 Å²	53	25.3 Å²	25.3	28%	0.283	13%	0.134	S	C	.	.	S	Bend	trans	-76.8	-11.4	-177.8	-60.1	-97.7	0	0	0	112.5	R427 V428 R453 P616 V681	R427-D456 WeakPolarHBondContact CA-OD2 3.47Å; R427-D456 HydrophobicContact CB-CB 4.33Å; V428-D456 PolarHBondContact N-OD2 3.07Å; V428-D456 PolarHBondContact O-N 2.94Å; R453-D456 IonicContact NH2-OD1 3.09Å; R453-D456 IonicContact NH2-OD2 3.21Å; R453-D456 PolarHBondContact NH2-OD2 2.75Å; D456-P616 WeakPolarHBondContact O-CD 3.33Å; D456-V681 HydrophobicContact CB-CG1 3.94Å
457	G	98.4	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	162	176.7	0	0	0	0	0	113.7	L430 P455 P616	L430-G457 PolarHBondContact N-O 3.23Å; P455-G457 PolarHBondContact O-N 3.02Å; G457-P616 WeakPolarHBondContact CA-O 3.38Å
458	I	98.8	Very high	96.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.1	171.9	-65.5	159.5	0	0	0	108.7	L430 C440 I441 C444 A460 P615 P616 V617 H618	L430-I458 HydrophobicContact CB-CG1 4.47Å; L430-I458 CarbonylContact O-C 3.55Å; L430-I458 WeakPolarHBondContact O-CA 3.49Å; C440-I458 HydrophobicContact CB-CG2 3.79Å; I441-I458 HydrophobicContact CG1-CD1 4.48Å; C444-I458 HydrophobicContact CB-CD1 4.19Å; I458-A460 HydrophobicContact CG2-CB 4.13Å; I458-P615 HydrophobicContact CD1-CG 3.94Å; I458-P615 HydrophobicContact CG1-CG 4Å; I458-P616 PolarHBondContact N-O 3.11Å; I458-V617 HydrophobicContact CB-CG1 4.47Å; I458-V617 HydrophobicContact CD1-CG2 4.08Å; I458-V617 HydrophobicContact CG2-CG1 4.41Å; I458-H618 WeakPolarHBondContact O-CB 3.46Å; I458-H618 PolarHBondContact O-CD2 3.28Å; I458-H618 PolarHBondContact O-N 3.42Å
459	M	98.6	Very high	95.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.8	161.5	-173.5	-71.3	-63.5	0	0	108.9	W379 L430 A431 G432 H618 C674 R677 I678	W379-M459 HydrophobicContact CH2-CE 3.31Å; W379-M459 HydrophobicContact CZ2-CE 4.22Å; W379-M459 HydrophobicContact CZ3-CE 3.6Å; L430-M459 PolarHBondContact O-N 2.88Å; A431-M459 VanDerWaalsContact CA-O 3.22Å; A431-M459 WeakPolarHBondContact CA-O 3.24Å; A431-M459 HydrophobicContact CB-CE 3.76Å; G432-M459 PolarHBondContact N-O 2.74Å; G432-M459 VanDerWaalsContact N-O 3.09Å; M459-H618 CarbonylContact C-O 3.53Å; M459-H618 WeakPolarHBondContact CA-O 3.42Å; M459-C674 HydrophobicContact CE-CB 3.9Å; M459-C674 HydrophobicContact SD-CB 3.75Å; M459-R677 HydrophobicContact CG-CB 3.92Å; M459-I678 HydrophobicContact CB-CG1 3.79Å; M459-I678 HydrophobicContact CE-CD1 3.69Å; M459-I678 HydrophobicContact CE-CG1 4.05Å; M459-I678 HydrophobicContact CG-CG1 3.94Å
460	A	98.7	Very high	95.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.7	-178.7	0	0	0	0	0	110.7	G432 I458 P463 H618 L619 V620	G432-A460 WeakPolarHBondContact O-CA 3.47Å; I458-A460 HydrophobicContact CG2-CB 4.13Å; A460-P463 HydrophobicContact CB-CB 4.01Å; A460-P463 HydrophobicContact CB-CG 3.92Å; A460-H618 PolarHBondContact N-O 3.44Å; A460-L619 HydrophobicContact CB-CD2 3.99Å; A460-L619 WeakPolarHBondContact O-CA 3.4Å; A460-V620 PolarHBondContact O-N 2.91Å
461	A	98.3	Very high	95	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.8	175.2	0	0	0	0	0	110	G432 D433 S434 P463 V620 F657 L658	G432-A461 PolarHBondContact O-N 3.06Å; D433-A461 CarbonylContact C-O 3.35Å; D433-A461 VanDerWaalsContact CA-O 3.31Å; D433-A461 WeakPolarHBondContact CA-O 3.31Å; D433-A461 HydrophobicContact CB-CB 4.13Å; S434-A461 PolarHBondContact N-O 3.2Å; A461-P463 VanDerWaalsContact C-CD 3.46Å; A461-P463 VanDerWaalsContact C-N 3.31Å; A461-P463 VanDerWaalsContact O-N 3.12Å; A461-V620 CarbonylContact C-O 3.57Å; A461-V620 WeakPolarHBondContact CA-O 3.48Å; A461-F657 HydrophobicContact CB-CZ 4.47Å; A461-L658 HydrophobicContact CB-CD1 3.55Å; A461-L658 HydrophobicContact CB-CG 4.28Å
462	Y	96.9	Very high	94.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	37.2	54.3	179.8	38.3	-99	0	0	0	113.6	D433 S434 V620 D625 L627 H655 G656 F657 L658	D433-Y462 HydrophobicContact CB-CD2 4.49Å; D433-Y462 HydrophobicContact CB-CE2 3.6Å; S434-Y462 WeakPolarHBondContact CA-O 3.32Å; Y462-V620 PolarHBondContact N-O 3.4Å; Y462-D625 WeakPolarHBondContact CB-OD2 3.5Å; Y462-L627 WeakPolarHBondContact O-CD1 3.47Å; Y462-H655 AromaticContact CD2-CE1 3.5Å; Y462-H655 VanDerWaalsContact CD2-CE1 3.5Å; Y462-H655 WeakPolarHBondContact CD2-CE1 3.44Å; Y462-H655 AromaticContact CD2-ND1 3.85Å; Y462-G656 WeakPolarHBondContact OH-CA 3.22Å; Y462-F657 AromaticContact CD1-CD1 3.49Å; Y462-F657 HydrophobicContact CD1-CD1 3.49Å; Y462-F657 VanDerWaalsContact CD1-CD1 3.49Å; Y462-F657 AromaticContact CD1-CE1 3.21Å; Y462-F657 HydrophobicContact CD1-CE1 3.21Å; Y462-F657 HydrophobicContact CD1-CE2 4.47Å; Y462-F657 HydrophobicContact CD1-CG 4.26Å; Y462-F657 AromaticContact CD1-CZ 3.72Å; Y462-F657 HydrophobicContact CD1-CZ 3.72Å; Y462-F657 AromaticContact CE1-CD1 3.39Å; Y462-F657 HydrophobicContact CE1-CD1 3.39Å; Y462-F657 AromaticContact CE1-CD2 3.94Å; Y462-F657 HydrophobicContact CE1-CD2 3.94Å; Y462-F657 AromaticContact CE1-CE1 3.36Å; Y462-F657 HydrophobicContact CE1-CE1 3.36Å; Y462-F657 AromaticContact CE1-CE2 3.86Å; Y462-F657 HydrophobicContact CE1-CE2 3.86Å; Y462-F657 AromaticContact CE1-CG 3.68Å; Y462-F657 HydrophobicContact CE1-CG 3.68Å; Y462-F657 AromaticContact CE1-CZ 3.55Å; Y462-F657 HydrophobicContact CE1-CZ 3.55Å; Y462-L658 HydrophobicContact CE1-CG 4.22Å; Y462-L658 VanDerWaalsContact OH-CB 3.25Å; Y462-L658 WeakPolarHBondContact OH-CB 3.42Å; Y462-L658 WeakPolarHBondContact OH-CG 3.34Å; Y462-L658 PolarHBondContact OH-N 3.46Å
463	P	98	Very high	94.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.			trans	-72.1	144.1	-169.3	27.2	-33.3	0	0	0	113.3	S434 A460 A461 T465 L619	S434-P463 WeakPolarHBondContact O-CA 3.23Å; A460-P463 HydrophobicContact CB-CB 4.01Å; A460-P463 HydrophobicContact CB-CG 3.92Å; A461-P463 VanDerWaalsContact C-CD 3.46Å; A461-P463 VanDerWaalsContact C-N 3.31Å; A461-P463 VanDerWaalsContact O-N 3.12Å; P463-T465 HydrophobicContact CB-CG2 3.95Å; P463-T465 HydrophobicContact CG-CG2 3.9Å; P463-T465 PolarHBondContact O-N 3.08Å; P463-L619 HydrophobicContact CG-CD2 3.93Å
464	A	96.8	Very high	94.6	Very high	11 Å²	11	8.8 Å²	8.8	9%	0.091	5%	0.05	C	C	.	.			trans	-78.1	81.8	170.1	0	0	0	0	0	110.5	S434 N438 L467 L627	S434-A464 PolarHBondContact O-N 3.32Å; S434-A464 VanDerWaalsContact O-N 3.09Å; N438-A464 WeakPolarHBondContact CB-O 3.44Å; N438-A464 PolarHBondContact ND2-O 3.4Å; A464-L467 HydrophobicContact CB-CD1 3.99Å; A464-L467 WeakPolarHBondContact O-CD1 3.42Å; A464-L627 HydrophobicContact CB-CD1 4.01Å
465	T	97.1	Very high	94.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.041	C	C	.	.			trans	-88	-14.3	-178	67.8	0	0	0	0	113.9	I441 P463 S602 P603 L604 D630 F634	I441-T465 HydrophobicContact CD1-CG2 3.84Å; P463-T465 HydrophobicContact CB-CG2 3.95Å; P463-T465 HydrophobicContact CG-CG2 3.9Å; P463-T465 PolarHBondContact O-N 3.08Å; T465-S602 CarbonylContact O-C 3.35Å; T465-S602 WeakPolarHBondContact O-CA 3.46Å; T465-P603 VanDerWaalsContact O-CD 3.23Å; T465-P603 WeakPolarHBondContact O-CD 3.4Å; T465-L604 VanDerWaalsContact O-CB 3.24Å; T465-L604 WeakPolarHBondContact O-CB 3.45Å; T465-L604 PolarHBondContact O-N 2.81Å; T465-D630 WeakPolarHBondContact OG1-CB 3.47Å; T465-D630 PolarHBondContact OG1-O 3.26Å; T465-F634 HydrophobicContact CG2-CB 4.17Å; T465-F634 HydrophobicContact CG2-CD1 3.88Å; T465-F634 HydrophobicContact CG2-CE1 4.45Å; T465-F634 HydrophobicContact CG2-CG 3.98Å
466	L	94.6	Very high	94	Very high	9 Å²	9	7 Å²	7	5%	0.047	4%	0.04	C	C	.	.			trans	-130.9	111.8	173.3	-175.7	67.8	0	0	0	109.9	Y150 T468 L604 L605 D630	Y150-L466 HydrophobicContact CD1-CD2 3.96Å; Y150-L466 HydrophobicContact CD2-CD2 4.22Å; Y150-L466 HydrophobicContact CE1-CD2 3.64Å; Y150-L466 HydrophobicContact CE2-CD2 3.92Å; Y150-L466 HydrophobicContact CG-CD2 4.25Å; L466-T468 HydrophobicContact CD1-CG2 3.85Å; L466-T468 HydrophobicContact CG-CG2 4.04Å; L466-T468 PolarHBondContact O-N 3.34Å; L466-L604 HydrophobicContact CB-CB 4.23Å; L466-L604 HydrophobicContact CB-CD2 3.89Å; L466-L604 HydrophobicContact CD1-CB 4.49Å; L466-L604 HydrophobicContact CD1-CD2 4.41Å; L466-L604 HydrophobicContact CD2-CD2 4.12Å; L466-L604 HydrophobicContact CG-CD2 4.36Å; L466-L605 HydrophobicContact CD1-CD1 3.86Å; L466-L605 HydrophobicContact CD1-CD2 3.86Å; L466-L605 HydrophobicContact CD1-CG 3.67Å; L466-D630 PolarHBondContact N-OD2 3.47Å
467	L	91.2	Very high	93.6	Very high	6 Å²	6	4.8 Å²	4.8	3%	0.031	3%	0.028	C	C	.	.			trans	-97.5	62.9	-179	-79	66.4	0	0	0	110	F364 A464 I493 Y496 I596 V601 S602	F364-L467 HydrophobicContact CD2-CD2 4.46Å; F364-L467 HydrophobicContact CE2-CD2 3.74Å; F364-L467 HydrophobicContact CZ-CD2 4.3Å; A464-L467 HydrophobicContact CB-CD1 3.99Å; A464-L467 WeakPolarHBondContact O-CD1 3.42Å; L467-I493 HydrophobicContact CB-CG1 4.14Å; L467-I493 HydrophobicContact CB-CG2 4.31Å; L467-I493 HydrophobicContact CG-CG1 4.43Å; L467-I493 WeakPolarHBondContact O-CG2 3.27Å; L467-Y496 HydrophobicContact CD2-CD1 3.62Å; L467-Y496 HydrophobicContact CD2-CE1 4.14Å; L467-I596 WeakPolarHBondContact O-CB 3.24Å; L467-V601 HydrophobicContact CB-CG1 4.16Å; L467-V601 VanDerWaalsContact CD1-O 3.28Å; L467-V601 WeakPolarHBondContact CD1-O 3.5Å; L467-V601 HydrophobicContact CD2-CG1 3.77Å; L467-S602 PolarHBondContact N-OG 2.87Å
468	T	86.4	Confident	93.1	Very high	5 Å²	5	4.8 Å²	4.8	3%	0.031	3%	0.028	C	C	.	.	S	Bend	trans	-128	164.4	173.6	76.1	0	0	0	0	109.9	L466 D470 I596	L466-T468 HydrophobicContact CD1-CG2 3.85Å; L466-T468 HydrophobicContact CG-CG2 4.04Å; L466-T468 PolarHBondContact O-N 3.34Å; T468-D470 VanDerWaalsContact C-N 3.26Å; T468-D470 VanDerWaalsContact CB-OD2 3.22Å; T468-D470 WeakPolarHBondContact CB-OD2 3.37Å; T468-D470 WeakPolarHBondContact OG1-CB 2.83Å; T468-D470 PolarHBondContact OG1-N 3.25Å; T468-D470 PolarHBondContact OG1-OD2 2.86Å; T468-I596 HydrophobicContact CG2-CD1 3.8Å
469	T	82.9	Confident	92.6	Very high	4 Å²	4	4.8 Å²	4.8	3%	0.025	3%	0.028	C	C	.	.			trans	-94.6	20.5	168.3	54.7	0	0	0	0	112.1	L486 A490 I493 T591	T469-L486 HydrophobicContact CG2-CD1 4.38Å; T469-A490 HydrophobicContact CG2-CB 3.82Å; T469-I493 HydrophobicContact CG2-CD1 4.42Å; T469-T591 HydrophobicContact CG2-CG2 3.69Å; T469-T591 PolarHBondContact N-OG1 3.18Å; T469-T591 PolarHBondContact OG1-OG1 3.04Å
470	D	85.4	Confident	92.1	Very high	50 Å²	50	5 Å²	5	27%	0.267	3%	0.029	S	C	.	.			trans	-62.1	144.8	-177	-66.1	-42.4	0	0	0	111.4	Y150 S158 T468 S472	Y150-D470 HydrophobicContact CD1-CB 4.15Å; Y150-D470 HydrophobicContact CE1-CB 4.37Å; S158-D470 WeakPolarHBondContact CB-OD1 3.45Å; S158-D470 WeakPolarHBondContact OG-CA 3.21Å; S158-D470 PolarHBondContact OG-OD1 3.2Å; T468-D470 VanDerWaalsContact C-N 3.26Å; T468-D470 VanDerWaalsContact CB-OD2 3.22Å; T468-D470 WeakPolarHBondContact CB-OD2 3.37Å; T468-D470 WeakPolarHBondContact OG1-CB 2.83Å; T468-D470 PolarHBondContact OG1-N 3.25Å; T468-D470 PolarHBondContact OG1-OD2 2.86Å; D470-S472 PolarHBondContact O-N 2.85Å
471	A	88.4	Confident	91.6	Very high	7 Å²	7	5.2 Å²	5.2	6%	0.058	3%	0.03	C	C	.	.			trans	-68.1	128.4	-178.3	0	0	0	0	0	110.9	L140 F161	L140-A471 HydrophobicContact CD1-CB 4.37Å; L140-A471 HydrophobicContact CD2-CB 3.72Å; F161-A471 HydrophobicContact CB-CB 3.65Å; F161-A471 HydrophobicContact CD1-CB 3.77Å; F161-A471 HydrophobicContact CD2-CB 4.35Å; F161-A471 HydrophobicContact CG-CB 3.62Å
472	S	92.8	Very high	90.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.032	C	C	.	.			trans	-139.8	160.7	165.8	85.8	0	0	0	0	110	Y150 D470 S474 R475 L476 D629	Y150-S472 VanDerWaalsContact CE1-CB 3.5Å; D470-S472 PolarHBondContact O-N 2.85Å; S472-S474 VanDerWaalsContact C-N 3.26Å; S472-S474 PolarHBondContact O-N 2.92Å; S472-S474 PolarHBondContact OG-N 3.29Å; S472-S474 PolarHBondContact OG-OG 3.4Å; S472-S474 VanDerWaalsContact OG-OG 3.06Å; S472-R475 PolarHBondContact O-N 3.4Å; S472-R475 WeakPolarHBondContact OG-CG 3.23Å; S472-R475 PolarHBondContact OG-N 3.23Å; S472-L476 PolarHBondContact O-N 3.41Å; S472-D629 WeakPolarHBondContact CB-OD2 3.35Å; S472-D629 PolarHBondContact OG-OD2 3.18Å; S472-D629 VanDerWaalsContact OG-OD2 3.09Å
473	P	93.9	Very high	90	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.9	172.9	-27.4	36.3	0	0	0	113.5	Y81 L84 L140 L149 L476 D629	Y81-P473 HydrophobicContact CD1-CB 3.84Å; Y81-P473 HydrophobicContact CD1-CG 3.74Å; Y81-P473 HydrophobicContact CD2-CB 4.31Å; Y81-P473 HydrophobicContact CD2-CG 3.87Å; Y81-P473 HydrophobicContact CE1-CB 3.91Å; Y81-P473 HydrophobicContact CE1-CG 3.32Å; Y81-P473 HydrophobicContact CE2-CB 4.39Å; Y81-P473 HydrophobicContact CE2-CG 3.48Å; Y81-P473 VanDerWaalsContact CE2-CG 3.48Å; Y81-P473 HydrophobicContact CG-CB 4.04Å; Y81-P473 HydrophobicContact CG-CG 3.99Å; L84-P473 HydrophobicContact CD1-CB 4.35Å; L140-P473 HydrophobicContact CD1-CG 4.47Å; L149-P473 HydrophobicContact CD2-CG 4.04Å; P473-L476 WeakPolarHBondContact O-CB 3.22Å; P473-L476 PolarHBondContact O-N 2.66Å; P473-D629 VanDerWaalsContact CD-OD2 3.25Å; P473-D629 WeakPolarHBondContact CD-OD2 3.32Å
474	S	94.5	Very high	89.3	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-32.7	176.2	67.8	0	0	0	0	112.4	S472 L476 L477 A626 D629	S472-S474 VanDerWaalsContact C-N 3.26Å; S472-S474 PolarHBondContact O-N 2.92Å; S472-S474 PolarHBondContact OG-N 3.29Å; S472-S474 PolarHBondContact OG-OG 3.4Å; S472-S474 VanDerWaalsContact OG-OG 3.06Å; S474-L476 PolarHBondContact O-N 3.08Å; S474-L477 WeakPolarHBondContact O-CB 3.48Å; S474-L477 WeakPolarHBondContact O-CG 3.35Å; S474-L477 PolarHBondContact O-N 3.09Å; S474-A626 WeakPolarHBondContact CB-O 3.44Å; S474-A626 WeakPolarHBondContact O-CA 3.2Å; S474-A626 PolarHBondContact OG-O 3.41Å; S474-D629 VanDerWaalsContact CB-CG 3.44Å; S474-D629 WeakPolarHBondContact CB-OD2 3.07Å; S474-D629 PolarHBondContact N-OD2 2.89Å; S474-D629 VanDerWaalsContact OG-CB 3.23Å; S474-D629 WeakPolarHBondContact OG-CB 3.22Å; S474-D629 PolarHBondContact OG-N 3.41Å; S474-D629 PolarHBondContact OG-OD2 3.47Å
475	R	92.4	Very high	88.8	Confident	2 Å²	2	7.9 Å²	7.9	1%	0.008	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-65.2	-24.5	175	-64.4	-39.4	175.5	147.3	-0.2	113.7	F161 S472 L477 T478 A626 D630	F161-R475 HydrophobicContact CE1-CB 4.33Å; F161-R475 HydrophobicContact CZ-CB 4.33Å; S472-R475 PolarHBondContact O-N 3.4Å; S472-R475 WeakPolarHBondContact OG-CG 3.23Å; S472-R475 PolarHBondContact OG-N 3.23Å; R475-L477 PolarHBondContact O-N 3.39Å; R475-T478 WeakPolarHBondContact O-CB 3.4Å; R475-T478 VanDerWaalsContact O-CG2 3.27Å; R475-T478 WeakPolarHBondContact O-CG2 3.44Å; R475-T478 PolarHBondContact O-N 3.24Å; R475-T478 VanDerWaalsContact O-N 3.1Å; R475-T478 PolarHBondContact O-OG1 2.79Å; R475-A626 WeakPolarHBondContact CD-O 3.15Å; R475-A626 PolarHBondContact NE-O 3.4Å; R475-A626 VanDerWaalsContact NE-O 3.08Å; R475-D630 IonicContact CZ-OD1 3.69Å; R475-D630 IonicContact NE-OD1 3.22Å; R475-D630 IonicContact NH2-OD1 3.8Å; R475-D630 PolarHBondContact NH2-OD1 3.47Å; R475-D630 IonicContact NH2-OD2 2.8Å; R475-D630 PolarHBondContact NH2-OD2 3.26Å
476	L	92.1	Very high	88.2	Confident	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-59.8	-27.4	171	-61.2	-178.8	0	0	0	112.4	L84 L133 L136 A137 L140 F161 S472 P473 S474 T478 L479	L84-L476 HydrophobicContact CD1-CB 4.32Å; L84-L476 HydrophobicContact CD1-CD1 3.85Å; L84-L476 HydrophobicContact CD2-CB 4.2Å; L133-L476 HydrophobicContact CD2-CB 4.19Å; L133-L476 HydrophobicContact CD2-CD2 4.44Å; L133-L476 WeakPolarHBondContact O-CD1 3.41Å; L136-L476 HydrophobicContact CB-CD1 4.13Å; L136-L476 HydrophobicContact CB-CD2 4.06Å; L136-L476 HydrophobicContact CD1-CD2 4.17Å; A137-L476 HydrophobicContact CB-CD1 3.61Å; L140-L476 HydrophobicContact CD1-CD1 4.21Å; L140-L476 HydrophobicContact CD1-CG 4.48Å; F161-L476 HydrophobicContact CD2-CD2 3.84Å; F161-L476 HydrophobicContact CE2-CD2 3.3Å; F161-L476 HydrophobicContact CZ-CD2 4.11Å; S472-L476 PolarHBondContact O-N 3.41Å; P473-L476 WeakPolarHBondContact O-CB 3.22Å; P473-L476 PolarHBondContact O-N 2.66Å; S474-L476 PolarHBondContact O-N 3.08Å; L476-T478 PolarHBondContact O-N 3.24Å; L476-L479 PolarHBondContact O-N 2.76Å
477	L	90.2	Very high	87.5	Confident	5 Å²	5	7.9 Å²	7.9	3%	0.026	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-68.8	-16.6	178	-57.3	166.9	0	0	0	113.1	T83 L84 V87 S474 R475 L479 I480 D481	T83-L477 HydrophobicContact CG2-CD1 3.54Å; T83-L477 HydrophobicContact CG2-CD2 3.97Å; T83-L477 HydrophobicContact CG2-CG 4.41Å; L84-L477 HydrophobicContact CD2-CD2 3.68Å; L84-L477 HydrophobicContact CD2-CG 4.35Å; L84-L477 HydrophobicContact CG-CD2 4.24Å; V87-L477 HydrophobicContact CG2-CD2 4.13Å; S474-L477 WeakPolarHBondContact O-CB 3.48Å; S474-L477 WeakPolarHBondContact O-CG 3.35Å; S474-L477 PolarHBondContact O-N 3.09Å; R475-L477 PolarHBondContact O-N 3.39Å; L477-L479 PolarHBondContact O-N 2.93Å; L477-I480 HydrophobicContact CB-CG1 4.45Å; L477-I480 HydrophobicContact CD2-CD1 3.98Å; L477-I480 HydrophobicContact CD2-CG1 4.49Å; L477-I480 CarbonylContact O-C 3.54Å; L477-I480 WeakPolarHBondContact O-CG1 3.39Å; L477-I480 PolarHBondContact O-N 2.84Å; L477-D481 PolarHBondContact O-N 2.99Å
478	T	87.9	Confident	87.1	Confident	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-59	-20.2	176	59.1	0	0	0	0	113	Y165 R475 L476 I480 L486 A626	Y165-T478 WeakPolarHBondContact CE2-OG1 3.38Å; Y165-T478 PolarHBondContact OH-O 2.92Å; R475-T478 WeakPolarHBondContact O-CB 3.4Å; R475-T478 VanDerWaalsContact O-CG2 3.27Å; R475-T478 WeakPolarHBondContact O-CG2 3.44Å; R475-T478 PolarHBondContact O-N 3.24Å; R475-T478 VanDerWaalsContact O-N 3.1Å; R475-T478 PolarHBondContact O-OG1 2.79Å; L476-T478 PolarHBondContact O-N 3.24Å; T478-I480 PolarHBondContact O-N 2.84Å; T478-L486 HydrophobicContact CG2-CB 4.36Å; T478-A626 HydrophobicContact CG2-CB 3.5Å
479	L	87	Confident	87.1	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-69.5	-22.1	175	-159.5	78.6	0	0	0	112.7	L133 Y165 M168 K170 F173 Y174 L476 L477	L133-L479 HydrophobicContact CD1-CB 4.29Å; L133-L479 HydrophobicContact CD1-CD2 4.06Å; L133-L479 HydrophobicContact CD2-CB 4.38Å; L133-L479 HydrophobicContact CD2-CD2 3.89Å; L133-L479 HydrophobicContact CG-CD2 4.11Å; Y165-L479 HydrophobicContact CD2-CD1 3.8Å; Y165-L479 HydrophobicContact CE2-CB 4.04Å; Y165-L479 HydrophobicContact CE2-CD1 3.63Å; Y165-L479 HydrophobicContact CE2-CG 4.49Å; M168-L479 HydrophobicContact CB-CD1 3.98Å; M168-L479 HydrophobicContact CB-CD2 4.4Å; M168-L479 HydrophobicContact CE-CD2 3.64Å; M168-L479 HydrophobicContact SD-CD1 4.5Å; M168-L479 HydrophobicContact SD-CD2 4.12Å; K170-L479 HydrophobicContact CD-CD1 4.03Å; K170-L479 HydrophobicContact CG-CD1 3.71Å; K170-L479 HydrophobicContact CG-CG 4.36Å; F173-L479 HydrophobicContact CE2-CD2 3.84Å; F173-L479 HydrophobicContact CE2-CG 4.29Å; Y174-L479 PolarHBondContact OH-O 2.85Å; L476-L479 PolarHBondContact O-N 2.76Å; L477-L479 PolarHBondContact O-N 2.93Å
480	I	89.4	Confident	87.1	Confident	5 Å²	5	8.2 Å²	8.2	3%	0.026	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	4.7	-175.5	66.2	174	0	0	0	112.7	V87 F173 Q181 L477 T478 P482	V87-I480 HydrophobicContact CB-CD1 4.38Å; V87-I480 HydrophobicContact CG1-CD1 3.51Å; V87-I480 HydrophobicContact CG2-CD1 4.06Å; F173-I480 HydrophobicContact CB-CG2 4.28Å; F173-I480 HydrophobicContact CD1-CB 4.35Å; F173-I480 HydrophobicContact CD1-CG2 3.49Å; F173-I480 VanDerWaalsContact CD1-CG2 3.49Å; F173-I480 HydrophobicContact CD2-CG2 3.53Å; F173-I480 HydrophobicContact CE1-CG2 3.49Å; F173-I480 VanDerWaalsContact CE1-CG2 3.49Å; F173-I480 HydrophobicContact CE2-CG2 3.53Å; F173-I480 HydrophobicContact CG-CB 4.27Å; F173-I480 HydrophobicContact CG-CG2 3.49Å; F173-I480 VanDerWaalsContact CG-CG2 3.49Å; F173-I480 HydrophobicContact CZ-CG2 3.49Å; F173-I480 VanDerWaalsContact CZ-CG2 3.49Å; Q181-I480 PolarHBondContact NE2-O 3.45Å; L477-I480 HydrophobicContact CB-CG1 4.45Å; L477-I480 HydrophobicContact CD2-CD1 3.98Å; L477-I480 HydrophobicContact CD2-CG1 4.49Å; L477-I480 CarbonylContact O-C 3.54Å; L477-I480 WeakPolarHBondContact O-CG1 3.39Å; L477-I480 PolarHBondContact O-N 2.84Å; T478-I480 PolarHBondContact O-N 2.84Å; I480-P482 WeakPolarHBondContact O-CD 3.45Å
481	D	86.7	Confident	87.1	Confident	4 Å²	4	8 Å²	8	2%	0.021	4%	0.043	C	C	.	.			trans	-87.5	116.8	179.8	-167.1	-31.9	0	0	0	109.6	Y174 L477 L483 L484	Y174-D481 PolarHBondContact OH-N 2.59Å; Y174-D481 PolarHBondContact OH-O 2.85Å; L477-D481 PolarHBondContact O-N 2.99Å; D481-L483 VanDerWaalsContact C-N 3.31Å; D481-L483 WeakPolarHBondContact OD1-CA 3.37Å; D481-L483 PolarHBondContact OD1-N 2.94Å; D481-L484 PolarHBondContact OD1-N 3.01Å
482	P	80.1	Confident	87	Confident	6 Å²	6	8.1 Å²	8.1	4%	0.039	4%	0.044	C	C	.	.	S	Bend	trans	-77.5	-13.6	177.7	31	-33.8	0	0	0	114	Y174 L178 F182 L190 V194 I480	Y174-P482 HydrophobicContact CE1-CB 4.11Å; L178-P482 HydrophobicContact CD1-CB 4.35Å; F182-P482 HydrophobicContact CE2-CG 4.08Å; L190-P482 HydrophobicContact CD1-CG 4.38Å; L190-P482 HydrophobicContact CD2-CG 3.9Å; V194-P482 HydrophobicContact CG2-CB 4.13Å; I480-P482 WeakPolarHBondContact O-CD 3.45Å
483	L	81.6	Confident	86.8	Confident	39 Å²	39	8.4 Å²	8.4	20%	0.204	5%	0.045	C	C	.	.	S	Bend	trans	-108.2	-37.8	-174.7	-58.1	-175	0	0	0	112.7	L190 I193 D481 P485 P654 H655	L190-L483 HydrophobicContact CD2-CD1 4.41Å; L190-L483 HydrophobicContact CD2-CD2 4.31Å; L190-L483 HydrophobicContact CD2-CG 4.36Å; I193-L483 HydrophobicContact CD1-CD2 3.73Å; I193-L483 HydrophobicContact CG2-CD2 4.12Å; D481-L483 VanDerWaalsContact C-N 3.31Å; D481-L483 WeakPolarHBondContact OD1-CA 3.37Å; D481-L483 PolarHBondContact OD1-N 2.94Å; L483-P485 VanDerWaalsContact C-CD 3.44Å; L483-P654 HydrophobicContact CD1-CB 3.85Å; L483-P654 HydrophobicContact CD1-CG 3.99Å; L483-H655 VanDerWaalsContact CD1-O 3.25Å; L483-H655 WeakPolarHBondContact CD1-O 3.27Å
484	L	84.8	Confident	86.4	Confident	18 Å²	18	9.6 Å²	9.6	9%	0.094	5%	0.051	C	C	.	.	S	Bend	trans	-128	62.7	-177.3	-164.1	65.9	0	0	0	113.1	D481 L489 L627 H655	D481-L484 PolarHBondContact OD1-N 3.01Å; L484-L489 HydrophobicContact CD1-CB 4.45Å; L484-L489 HydrophobicContact CD2-CD1 4.49Å; L484-L627 HydrophobicContact CD2-CD2 4.19Å; L484-L627 HydrophobicContact CD2-CG 4.13Å; L484-H655 HydrophobicContact CB-CB 4.48Å
485	P	86.3	Confident	86.1	Confident	4 Å²	4	9.6 Å²	9.6	3%	0.026	5%	0.051	C	C	.	.			trans	-67	154.2	174.1	29.4	-34.4	0	0	0	111.3	T239 L483 G487 V488 L489	T239-P485 HydrophobicContact CG2-CG 4.22Å; L483-P485 VanDerWaalsContact C-CD 3.44Å; P485-G487 VanDerWaalsContact C-N 3.26Å; P485-G487 PolarHBondContact O-N 3.11Å; P485-G487 VanDerWaalsContact O-N 3.14Å; P485-V488 HydrophobicContact CG-CB 4Å; P485-V488 HydrophobicContact CG-CG2 3.6Å; P485-V488 WeakPolarHBondContact O-CB 3.49Å; P485-V488 PolarHBondContact O-N 3Å; P485-L489 PolarHBondContact O-N 3.04Å; P485-L489 VanDerWaalsContact O-N 3.11Å
486	L	83.6	Confident	86.1	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.7	-37.4	-171.6	-172.5	62.6	0	0	0	113.1	F161 Y165 T469 T478 V488 L489 A490	F161-L486 HydrophobicContact CE1-CD2 3.96Å; F161-L486 HydrophobicContact CZ-CD2 4.23Å; Y165-L486 HydrophobicContact CD1-CB 4.05Å; Y165-L486 HydrophobicContact CD1-CD2 3.51Å; Y165-L486 HydrophobicContact CD1-CG 4.35Å; Y165-L486 HydrophobicContact CD2-CB 4.39Å; Y165-L486 HydrophobicContact CD2-CD2 3.99Å; Y165-L486 HydrophobicContact CE1-CB 3.5Å; Y165-L486 HydrophobicContact CE1-CD2 3.91Å; Y165-L486 HydrophobicContact CE1-CG 4.27Å; Y165-L486 HydrophobicContact CE2-CB 3.87Å; Y165-L486 HydrophobicContact CE2-CD2 4.32Å; Y165-L486 HydrophobicContact CG-CB 4.48Å; Y165-L486 HydrophobicContact CG-CD2 3.57Å; Y165-L486 PolarHBondContact OH-N 3.05Å; T469-L486 HydrophobicContact CG2-CD1 4.38Å; T478-L486 HydrophobicContact CG2-CB 4.36Å; L486-V488 VanDerWaalsContact C-N 3.28Å; L486-V488 PolarHBondContact O-N 2.9Å; L486-L489 HydrophobicContact CD1-CD2 4.05Å; L486-L489 PolarHBondContact O-N 2.8Å; L486-A490 WeakPolarHBondContact O-CB 3.41Å; L486-A490 PolarHBondContact O-N 3.17Å
487	G	80.6	Confident	85.9	Confident	10 Å²	10	9.9 Å²	9.9	10%	0.103	5%	0.054	C	C	.	.	H	α-helix	trans	-65	-31.4	178.3	0	0	0	0	0	113.2	P485 R491	P485-G487 VanDerWaalsContact C-N 3.26Å; P485-G487 PolarHBondContact O-N 3.11Å; P485-G487 VanDerWaalsContact O-N 3.14Å; G487-R491 WeakPolarHBondContact O-CD 3.36Å; G487-R491 WeakPolarHBondContact O-CG 3.19Å; G487-R491 PolarHBondContact O-N 2.94Å
488	V	81.7	Confident	85.6	Confident	1 Å²	1	11.5 Å²	11.5	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-73.3	-49.1	174.1	172.2	0	0	0	0	110.1	W247 W251 P485 L486 A490 R491 C492	W247-V488 HydrophobicContact CD2-CG2 3.64Å; W247-V488 HydrophobicContact CE3-CG2 3.86Å; W247-V488 HydrophobicContact CG-CG2 4.38Å; W247-V488 HydrophobicContact CH2-CG2 3.45Å; W247-V488 VanDerWaalsContact CH2-CG2 3.45Å; W247-V488 HydrophobicContact CZ2-CG2 3.23Å; W247-V488 HydrophobicContact CZ3-CG2 3.77Å; W251-V488 HydrophobicContact CH2-CG1 3.37Å; W251-V488 HydrophobicContact CZ2-CG1 3.73Å; P485-V488 HydrophobicContact CG-CB 4Å; P485-V488 HydrophobicContact CG-CG2 3.6Å; P485-V488 WeakPolarHBondContact O-CB 3.49Å; P485-V488 PolarHBondContact O-N 3Å; L486-V488 VanDerWaalsContact C-N 3.28Å; L486-V488 PolarHBondContact O-N 2.9Å; V488-A490 VanDerWaalsContact C-N 3.35Å; V488-A490 PolarHBondContact O-N 2.77Å; V488-R491 PolarHBondContact O-N 3.49Å; V488-R491 VanDerWaalsContact O-N 3.16Å; V488-C492 PolarHBondContact O-N 3.08Å; V488-C492 PolarHBondContact O-SG 3.07Å
489	L	85.8	Confident	85	Confident	16 Å²	16	13 Å²	13	8%	0.084	8%	0.082	C	C	.	.	H	α-helix	trans	-53.1	-51.3	176.3	176.5	74.4	0	0	0	111.6	L484 P485 L486 R491 C492 I493 L627	L484-L489 HydrophobicContact CD1-CB 4.45Å; L484-L489 HydrophobicContact CD2-CD1 4.49Å; P485-L489 PolarHBondContact O-N 3.04Å; P485-L489 VanDerWaalsContact O-N 3.11Å; L486-L489 HydrophobicContact CD1-CD2 4.05Å; L486-L489 PolarHBondContact O-N 2.8Å; L489-R491 VanDerWaalsContact C-N 3.29Å; L489-R491 PolarHBondContact O-N 3.39Å; L489-C492 PolarHBondContact O-N 2.94Å; L489-I493 HydrophobicContact CD1-CD1 4.07Å; L489-I493 HydrophobicContact CD1-CG1 4.44Å; L489-I493 HydrophobicContact CD2-CD1 4.31Å; L489-I493 HydrophobicContact CG-CD1 3.78Å; L489-I493 HydrophobicContact CG-CG1 4.46Å; L489-I493 WeakPolarHBondContact O-CG1 3.37Å; L489-I493 PolarHBondContact O-N 2.83Å; L489-L627 HydrophobicContact CD1-CD2 4.46Å
490	A	84.4	Confident	83.4	Confident	4 Å²	4	20.6 Å²	20.6	3%	0.033	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-39.2	-179.4	0	0	0	0	0	112.1	T469 L486 V488 I493 N494 V588	T469-A490 HydrophobicContact CG2-CB 3.82Å; L486-A490 WeakPolarHBondContact O-CB 3.41Å; L486-A490 PolarHBondContact O-N 3.17Å; V488-A490 VanDerWaalsContact C-N 3.35Å; V488-A490 PolarHBondContact O-N 2.77Å; A490-I493 PolarHBondContact O-N 2.86Å; A490-N494 WeakPolarHBondContact O-CB 3.4Å; A490-N494 VanDerWaalsContact O-CG 3.23Å; A490-N494 PolarHBondContact O-N 3.47Å; A490-N494 PolarHBondContact O-ND2 3.48Å; A490-V588 HydrophobicContact CB-CG1 3.91Å
491	R	84.4	Confident	81.7	Confident	46 Å²	46	25.4 Å²	25.4	17%	0.174	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-43.4	176	-72.5	171.2	-171.7	126.7	2.4	112	T239 Q240 L242 L244 G487 V488 L489 N494 A495	T239-R491 PolarHBondContact O-NH1 3.26Å; Q240-R491 PolarHBondContact O-NH2 3.46Å; L242-R491 PolarHBondContact O-NE 2.79Å; L242-R491 PolarHBondContact O-NH1 2.88Å; L242-R491 VanDerWaalsContact O-NH1 3.14Å; L242-R491 PolarHBondContact O-NH2 3.07Å; L244-R491 HydrophobicContact CD1-CB 4.23Å; G487-R491 WeakPolarHBondContact O-CD 3.36Å; G487-R491 WeakPolarHBondContact O-CG 3.19Å; G487-R491 PolarHBondContact O-N 2.94Å; V488-R491 PolarHBondContact O-N 3.49Å; V488-R491 VanDerWaalsContact O-N 3.16Å; L489-R491 VanDerWaalsContact C-N 3.29Å; L489-R491 PolarHBondContact O-N 3.39Å; R491-N494 PolarHBondContact O-N 2.83Å; R491-A495 VanDerWaalsContact O-CB 3.24Å; R491-A495 WeakPolarHBondContact O-CB 3.35Å; R491-A495 PolarHBondContact O-N 3.04Å
492	C	87.3	Confident	79.4	Confident	10 Å²	10	33.3 Å²	33.3	7%	0.068	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-45.1	174.7	-68.8	0	0	0	0	111.5	G363 V488 L489 A495 Y496	G363-C492 WeakPolarHBondContact O-CB 3.39Å; V488-C492 PolarHBondContact O-N 3.08Å; V488-C492 PolarHBondContact O-SG 3.07Å; L489-C492 PolarHBondContact O-N 2.94Å; C492-A495 PolarHBondContact O-N 2.72Å; C492-Y496 WeakPolarHBondContact O-CB 3.32Å; C492-Y496 PolarHBondContact O-N 3.34Å
493	I	88.5	Confident	77.2	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-51.4	177.4	-67.3	167	0	0	0	110.7	L467 T469 L489 A490 A495 Y496 A497 T591 I596	L467-I493 HydrophobicContact CB-CG1 4.14Å; L467-I493 HydrophobicContact CB-CG2 4.31Å; L467-I493 HydrophobicContact CG-CG1 4.43Å; L467-I493 WeakPolarHBondContact O-CG2 3.27Å; T469-I493 HydrophobicContact CG2-CD1 4.42Å; L489-I493 HydrophobicContact CD1-CD1 4.07Å; L489-I493 HydrophobicContact CD1-CG1 4.44Å; L489-I493 HydrophobicContact CD2-CD1 4.31Å; L489-I493 HydrophobicContact CG-CD1 3.78Å; L489-I493 HydrophobicContact CG-CG1 4.46Å; L489-I493 WeakPolarHBondContact O-CG1 3.37Å; L489-I493 PolarHBondContact O-N 2.83Å; A490-I493 PolarHBondContact O-N 2.86Å; I493-A495 VanDerWaalsContact C-N 3.25Å; I493-A495 PolarHBondContact O-N 3.45Å; I493-Y496 PolarHBondContact O-N 3.37Å; I493-A497 VanDerWaalsContact O-CB 3.29Å; I493-A497 WeakPolarHBondContact O-CB 3.37Å; I493-A497 PolarHBondContact O-N 3.39Å; I493-T591 HydrophobicContact CB-CG2 4.23Å; I493-T591 HydrophobicContact CD1-CG2 4.48Å; I493-T591 HydrophobicContact CG2-CG2 3.62Å; I493-I596 HydrophobicContact CG2-CG2 3.52Å
494	N	85.9	Confident	74.9	Confident	25 Å²	25	41.4 Å²	41.4	13%	0.134	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-35.9	-179	-73	-24.5	0	0	0	111.9	A490 R491 A497 G498 S499	A490-N494 WeakPolarHBondContact O-CB 3.4Å; A490-N494 VanDerWaalsContact O-CG 3.23Å; A490-N494 PolarHBondContact O-N 3.47Å; A490-N494 PolarHBondContact O-ND2 3.48Å; R491-N494 PolarHBondContact O-N 2.83Å; N494-A497 PolarHBondContact O-N 3.02Å; N494-G498 PolarHBondContact O-N 3.14Å; N494-G498 VanDerWaalsContact O-N 3.12Å; N494-S499 PolarHBondContact O-N 3.22Å
495	A	87.7	Confident	72.1	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-47.6	175.9	0	0	0	0	0	113.1	L244 V365 S395 R491 C492 I493 A497 G498 F501	L244-A495 HydrophobicContact CD2-CB 3.63Å; V365-A495 HydrophobicContact CG1-CB 3.62Å; S395-A495 WeakPolarHBondContact CB-O 3.48Å; R491-A495 VanDerWaalsContact O-CB 3.24Å; R491-A495 WeakPolarHBondContact O-CB 3.35Å; R491-A495 PolarHBondContact O-N 3.04Å; C492-A495 PolarHBondContact O-N 2.72Å; I493-A495 VanDerWaalsContact C-N 3.25Å; I493-A495 PolarHBondContact O-N 3.45Å; A495-A497 VanDerWaalsContact C-N 3.28Å; A495-A497 PolarHBondContact O-N 2.69Å; A495-G498 PolarHBondContact O-N 3.29Å; A495-G498 VanDerWaalsContact O-N 3.15Å; A495-F501 VanDerWaalsContact CA-CZ 3.44Å; A495-F501 HydrophobicContact CB-CE1 4.25Å; A495-F501 HydrophobicContact CB-CZ 3.58Å
496	Y	91.6	Very high	69.5	Low	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-35.8	177.2	-171.5	-121.8	0	0	0	111.9	F364 S395 F400 A403 L467 C492 I493 G498 V601	F364-Y496 HydrophobicContact CB-CD2 3.52Å; F364-Y496 HydrophobicContact CB-CE2 4.12Å; F364-Y496 HydrophobicContact CB-CG 3.96Å; F364-Y496 HydrophobicContact CD1-CD1 4.44Å; F364-Y496 AromaticContact CD1-CD2 3.69Å; F364-Y496 HydrophobicContact CD1-CD2 3.69Å; F364-Y496 HydrophobicContact CD1-CE1 4.25Å; F364-Y496 AromaticContact CD1-CE2 3.46Å; F364-Y496 HydrophobicContact CD1-CE2 3.46Å; F364-Y496 VanDerWaalsContact CD1-CE2 3.46Å; F364-Y496 HydrophobicContact CD1-CG 4.17Å; F364-Y496 AromaticContact CD1-CZ 3.75Å; F364-Y496 HydrophobicContact CD2-CD1 4.05Å; F364-Y496 HydrophobicContact CD2-CD2 4.1Å; F364-Y496 AromaticContact CD2-CG 3.81Å; F364-Y496 HydrophobicContact CD2-CG 3.81Å; F364-Y496 HydrophobicContact CE1-CD1 4.47Å; F364-Y496 HydrophobicContact CE1-CD2 4.4Å; F364-Y496 HydrophobicContact CE1-CE1 4Å; F364-Y496 AromaticContact CE1-CE2 3.94Å; F364-Y496 HydrophobicContact CE1-CE2 3.94Å; F364-Y496 AromaticContact CE1-CZ 3.7Å; F364-Y496 HydrophobicContact CE2-CD1 4.14Å; F364-Y496 HydrophobicContact CE2-CE1 4.34Å; F364-Y496 HydrophobicContact CE2-CG 4.37Å; F364-Y496 HydrophobicContact CG-CD1 4.22Å; F364-Y496 AromaticContact CG-CD2 3.5Å; F364-Y496 HydrophobicContact CG-CD2 3.5Å; F364-Y496 VanDerWaalsContact CG-CD2 3.5Å; F364-Y496 HydrophobicContact CG-CE1 4.48Å; F364-Y496 AromaticContact CG-CE2 3.81Å; F364-Y496 HydrophobicContact CG-CE2 3.81Å; F364-Y496 AromaticContact CG-CG 3.71Å; F364-Y496 HydrophobicContact CG-CG 3.71Å; F364-Y496 HydrophobicContact CZ-CD1 4.32Å; F364-Y496 HydrophobicContact CZ-CE1 4.05Å; S395-Y496 WeakPolarHBondContact OG-CA 3.42Å; F400-Y496 HydrophobicContact CB-CD1 4.39Å; F400-Y496 HydrophobicContact CB-CD2 4.36Å; F400-Y496 HydrophobicContact CB-CE1 4.11Å; F400-Y496 HydrophobicContact CB-CE2 4.07Å; F400-Y496 VanDerWaalsContact CB-O 3.23Å; F400-Y496 WeakPolarHBondContact CB-O 3.23Å; F400-Y496 HydrophobicContact CD2-CE1 4.08Å; F400-Y496 AromaticContact CD2-CZ 3.88Å; F400-Y496 PolarHBondContact N-O 3.18Å; A403-Y496 HydrophobicContact CB-CE2 4.37Å; L467-Y496 HydrophobicContact CD2-CD1 3.62Å; L467-Y496 HydrophobicContact CD2-CE1 4.14Å; C492-Y496 WeakPolarHBondContact O-CB 3.32Å; C492-Y496 PolarHBondContact O-N 3.34Å; I493-Y496 PolarHBondContact O-N 3.37Å; Y496-G498 PolarHBondContact O-N 3.26Å; Y496-V601 HydrophobicContact CD1-CG1 4.09Å; Y496-V601 HydrophobicContact CE1-CG1 4.11Å; Y496-V601 HydrophobicContact CE1-CG2 4.27Å
497	A	88.6	Confident	67	Low	8 Å²	8	57.1 Å²	57.1	7%	0.066	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.7	175.9	0	0	0	0	0	114.3	I493 N494 A495 S499 C593 V595 I596	I493-A497 VanDerWaalsContact O-CB 3.29Å; I493-A497 WeakPolarHBondContact O-CB 3.37Å; I493-A497 PolarHBondContact O-N 3.39Å; N494-A497 PolarHBondContact O-N 3.02Å; A495-A497 VanDerWaalsContact C-N 3.28Å; A495-A497 PolarHBondContact O-N 2.69Å; A497-S499 VanDerWaalsContact C-N 3.34Å; A497-S499 PolarHBondContact O-N 3.11Å; A497-C593 HydrophobicContact CB-CB 4.49Å; A497-V595 HydrophobicContact CB-CB 4.39Å; A497-V595 HydrophobicContact CB-CG1 4.34Å; A497-I596 HydrophobicContact CB-CG2 3.74Å
498	G	84.4	Confident	64.4	Low	40 Å²	40	64.3 Å²	64.3	41%	0.412	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	28.6	-179.1	0	0	0	0	0	114.5	N494 A495 Y496	N494-G498 PolarHBondContact O-N 3.14Å; N494-G498 VanDerWaalsContact O-N 3.12Å; A495-G498 PolarHBondContact O-N 3.29Å; A495-G498 VanDerWaalsContact O-N 3.15Å; Y496-G498 PolarHBondContact O-N 3.26Å
499	S	74.8	Confident	62	Low	30 Å²	30	73 Å²	73	21%	0.21	39%	0.394	C	S	.	.			trans	-79.1	142.4	179.8	-55.9	0	0	0	0	111.5	N494 A497 F501 C593	N494-S499 PolarHBondContact O-N 3.22Å; A497-S499 VanDerWaalsContact C-N 3.34Å; A497-S499 PolarHBondContact O-N 3.11Å; S499-F501 PolarHBondContact O-N 3.05Å; S499-F501 VanDerWaalsContact O-N 3.16Å; S499-C593 WeakPolarHBondContact OG-CB 3.33Å
500	D	54	Low	59.4	Low	161 Å²	161	83.7 Å²	83.7	86%	0.861	43%	0.433	S	S	*	.			trans	-47	115.3	-170.7	-82.1	-32.7	0	0	0	113.9	Q502	D500-Q502 VanDerWaalsContact C-N 3.27Å; D500-Q502 PolarHBondContact O-N 3.31Å
501	F	52.7	Low	56.8	Low	105 Å²	105	85.9 Å²	85.9	46%	0.461	46%	0.455	S	S	.	.			trans	-76.8	73	171.3	-70.2	-83	0	0	0	110.8	L244 P396 A495 S499 T503	L244-F501 HydrophobicContact CD2-CE1 3.58Å; L244-F501 HydrophobicContact CD2-CZ 3.88Å; P396-F501 HydrophobicContact CB-CD2 4.08Å; P396-F501 HydrophobicContact CB-CE1 4.15Å; P396-F501 HydrophobicContact CB-CE2 3.25Å; P396-F501 HydrophobicContact CB-CZ 3.29Å; P396-F501 HydrophobicContact CG-CE2 4.44Å; P396-F501 HydrophobicContact CG-CZ 4.27Å; A495-F501 VanDerWaalsContact CA-CZ 3.44Å; A495-F501 HydrophobicContact CB-CE1 4.25Å; A495-F501 HydrophobicContact CB-CZ 3.58Å; S499-F501 PolarHBondContact O-N 3.05Å; S499-F501 VanDerWaalsContact O-N 3.16Å; F501-T503 PolarHBondContact O-N 3.47Å; F501-T503 VanDerWaalsContact O-N 3.13Å
502	Q	37.7	Very low	54.3	Low	170 Å²	170	88.3 Å²	88.3	79%	0.794	48%	0.48	S	S	*	.			trans	-70	109.3	155.7	-73.1	-168.8	-1.7	0	0	107.3	D500 V504	D500-Q502 VanDerWaalsContact C-N 3.27Å; D500-Q502 PolarHBondContact O-N 3.31Å; Q502-V504 PolarHBondContact O-N 3.17Å
503	T	34.8	Very low	51.7	Low	117 Å²	117	94.7 Å²	94.7	72%	0.718	51%	0.512	S	S	*	.			trans	-46.8	105.4	161.5	40.3	0	0	0	0	107.7	F501 Q505	F501-T503 PolarHBondContact O-N 3.47Å; F501-T503 VanDerWaalsContact O-N 3.13Å; T503-Q505 VanDerWaalsContact C-N 3.34Å; T503-Q505 PolarHBondContact O-N 2.62Å
504	V	33.4	Very low	49.1	Very low	99 Å²	99	99.2 Å²	99.2	60%	0.6	54%	0.544	S	S	*	.			trans	-63.3	104.3	171.1	178.1	0	0	0	0	105.3	Q502 P506 Y587	Q502-V504 PolarHBondContact O-N 3.17Å; V504-P506 WeakPolarHBondContact O-CD 3.46Å; V504-P506 VanDerWaalsContact O-N 3.15Å; V504-Y587 HydrophobicContact CG2-CD1 4.23Å
505	Q	25.1	Very low	46.4	Very low	155 Å²	155	100.5 Å²	100.5	72%	0.724	56%	0.558	S	S	*	*			trans	-53.6	120.4	165.2	-77.2	-82.7	-12.7	0	0	105.8	T503 A507	T503-Q505 VanDerWaalsContact C-N 3.34Å; T503-Q505 PolarHBondContact O-N 2.62Å; Q505-A507 PolarHBondContact O-N 2.93Å
506	P	32.3	Very low	43.9	Very low	96 Å²	96	106.6 Å²	106.6	62%	0.623	59%	0.591	S	S	*	*			trans	-54	131.7	177.9	18	-27.1	0	0	0	107.7	V504 E508	V504-P506 WeakPolarHBondContact O-CD 3.46Å; V504-P506 VanDerWaalsContact O-N 3.15Å; P506-E508 PolarHBondContact O-N 3.27Å
507	A	31.1	Very low	41	Very low	100 Å²	100	108.9 Å²	108.9	83%	0.826	61%	0.614	S	S	*	*			trans	-55.6	104.6	177.4	0	0	0	0	0	108.3	Q505 R509	Q505-A507 PolarHBondContact O-N 2.93Å; A507-R509 PolarHBondContact O-N 3.45Å
508	E	27.1	Very low	38.4	Very low	161 Å²	161	117.8 Å²	117.8	75%	0.752	65%	0.646	S	S	*	*			trans	-63.5	99.2	175.6	-77	-167.7	162.9	0	0	108.1	P506 R510	P506-E508 PolarHBondContact O-N 3.27Å; E508-R510 PolarHBondContact O-N 2.94Å
509	R	30.8	Very low	36	Very low	185 Å²	185	120.8 Å²	120.8	70%	0.698	65%	0.652	S	S	*	*			trans	-69	91.5	155.5	-85.9	-170.1	-173.4	168.1	8.6	107.4	A507 G511 E583	A507-R509 PolarHBondContact O-N 3.45Å; R509-G511 PolarHBondContact O-N 3.14Å; R509-E583 PolarHBondContact NH2-O 3.05Å; R509-E583 VanDerWaalsContact NH2-O 3.11Å
510	R	30.4	Very low	34.1	Very low	240 Å²	240	123.3 Å²	123.3	91%	0.906	67%	0.667	S	S	*	*			trans	-64.7	86.3	151.3	-90.6	-175	174.8	-177.3	-1.4	107.7	E508	E508-R510 PolarHBondContact O-N 2.94Å
511	G	29.6	Very low	33.1	Very low	49 Å²	49	118.6 Å²	118.6	51%	0.505	65%	0.65	S	S	.	*	S	Bend	trans	-168.7	100.8	178.6	0	0	0	0	0	113.3	R509 L513	R509-G511 PolarHBondContact O-N 3.14Å; G511-L513 PolarHBondContact O-N 2.76Å; G511-L513 VanDerWaalsContact O-N 3.11Å
512	S	32.3	Very low	32.1	Very low	98 Å²	98	118.1 Å²	118.1	69%	0.685	65%	0.652	S	S	*	*	S	Bend	trans	57.6	17.9	158.5	-143.7	0	0	0	0	120.6	S514	S512-S514 PolarHBondContact O-N 2.81Å
513	L	33.1	Very low	31.9	Very low	143 Å²	143	115.6 Å²	115.6	75%	0.749	64%	0.643	S	S	*	*	H	α-helix	trans	-76.4	-5.2	171.3	-81.7	162.7	0	0	0	114.4	G511 A515	G511-L513 PolarHBondContact O-N 2.76Å; G511-L513 VanDerWaalsContact O-N 3.11Å; L513-A515 VanDerWaalsContact C-N 3.31Å
514	S	33.6	Very low	31.8	Very low	101 Å²	101	115.7 Å²	115.7	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-80.4	-8.4	172.8	58.9	0	0	0	0	113.9	S512	S512-S514 PolarHBondContact O-N 2.81Å
515	A	30.2	Very low	31.8	Very low	52 Å²	52	112.9 Å²	112.9	43%	0.43	62%	0.623	S	S	.	*	H	α-helix	trans	-90.6	-41.9	179.7	0	0	0	0	0	112.5	L513	L513-A515 VanDerWaalsContact C-N 3.31Å
516	L	34.4	Very low	32.1	Very low	129 Å²	129	110.5 Å²	110.5	68%	0.675	62%	0.616	S	S	*	*	H	α-helix	trans	-76.6	-28	-177.9	-112.3	80.2	0	0	0	114.2	R518 D519 T520	L516-R518 PolarHBondContact O-N 2.83Å; L516-D519 PolarHBondContact O-N 3.18Å; L516-T520 PolarHBondContact O-OG1 3.3Å
517	G	31.2	Very low	32.1	Very low	48 Å²	48	112.5 Å²	112.5	50%	0.495	62%	0.621	S	S	.	*	H	α-helix	trans	-69.3	-16.7	179.1	0	0	0	0	0	114.4
518	R	33.5	Very low	32.2	Very low	194 Å²	194	112.4 Å²	112.4	73%	0.732	61%	0.61	S	S	*	*	H	α-helix	trans	-83.8	-32.1	175.7	-76.2	-176.4	-177.5	174.5	1.8	112.7	L516 L522	L516-R518 PolarHBondContact O-N 2.83Å; R518-L522 PolarHBondContact O-N 3.4Å
519	D	34	Very low	32.4	Very low	103 Å²	103	110.4 Å²	110.4	55%	0.551	60%	0.6	S	S	*	*	H	α-helix	trans	-79.4	-30.9	-177.8	-75.9	-18.7	0	0	0	113.1	L516 L522 L523	L516-D519 PolarHBondContact O-N 3.18Å; D519-L522 PolarHBondContact O-N 3.48Å; D519-L523 PolarHBondContact O-N 3.43Å; D519-L523 VanDerWaalsContact O-N 3.11Å
520	T	35.6	Very low	32.4	Very low	84 Å²	84	104.4 Å²	104.4	52%	0.515	60%	0.597	S	S	.	*	H	α-helix	trans	-74.8	-27.1	173.8	42.7	0	0	0	0	113.6	L516 L524	L516-T520 PolarHBondContact O-OG1 3.3Å; T520-L524 PolarHBondContact O-N 3.46Å
521	A	32.2	Very low	32.4	Very low	61 Å²	61	97.2 Å²	97.2	50%	0.504	59%	0.588	S	S	.	*	H	α-helix	trans	-72.6	-33.8	173.4	0	0	0	0	0	111.7	S525	A521-S525 PolarHBondContact O-N 2.96Å; A521-S525 PolarHBondContact O-OG 3Å
522	L	31.1	Very low	32.5	Very low	96 Å²	96	99.2 Å²	99.2	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-68.9	-39.8	172.7	-78.3	162.1	0	0	0	112.2	R518 D519 L524 S525 D526	R518-L522 PolarHBondContact O-N 3.4Å; D519-L522 PolarHBondContact O-N 3.48Å; L522-L524 PolarHBondContact O-N 3.45Å; L522-S525 WeakPolarHBondContact CA-OG 3.48Å; L522-S525 PolarHBondContact O-N 2.62Å; L522-S525 PolarHBondContact O-OG 3.22Å; L522-D526 WeakPolarHBondContact O-CB 3.5Å; L522-D526 VanDerWaalsContact O-CG 3.31Å; L522-D526 PolarHBondContact O-N 3.4Å
523	L	33.2	Very low	32.3	Very low	116 Å²	116	100.1 Å²	100.1	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-64.9	-34.6	175	-93.8	156.3	0	0	0	113.6	D519 L527	D519-L523 PolarHBondContact O-N 3.43Å; D519-L523 VanDerWaalsContact O-N 3.11Å; L523-L527 PolarHBondContact O-N 3.5Å
524	L	33.2	Very low	32.2	Very low	119 Å²	119	104.9 Å²	104.9	62%	0.623	60%	0.6	S	S	*	*	H	α-helix	trans	-80.9	-28.7	177.4	-82.3	159.5	0	0	0	113	T520 L522 T528	T520-L524 PolarHBondContact O-N 3.46Å; L522-L524 PolarHBondContact O-N 3.45Å; L524-T528 WeakPolarHBondContact O-CG2 3.41Å; L524-T528 PolarHBondContact O-N 3.44Å; L524-T528 PolarHBondContact O-OG1 3.44Å
525	S	33.1	Very low	32.3	Very low	40 Å²	40	107.3 Å²	107.3	28%	0.28	60%	0.603	S	S	.	*	H	α-helix	trans	-70.6	-37.4	168.9	56.8	0	0	0	0	111.9	A521 L522 T528 Q529	A521-S525 PolarHBondContact O-N 2.96Å; A521-S525 PolarHBondContact O-OG 3Å; L522-S525 WeakPolarHBondContact CA-OG 3.48Å; L522-S525 PolarHBondContact O-N 2.62Å; L522-S525 PolarHBondContact O-OG 3.22Å; S525-T528 PolarHBondContact O-N 3.35Å; S525-T528 PolarHBondContact O-OG1 3.16Å; S525-Q529 WeakPolarHBondContact O-CB 3.21Å; S525-Q529 PolarHBondContact O-N 2.77Å
526	D	32.1	Very low	32.4	Very low	105 Å²	105	113.2 Å²	113.2	56%	0.561	62%	0.622	S	S	*	*	H	α-helix	trans	-70.5	-33.3	179.3	-75.9	-16.2	0	0	0	112.6	L522 G530	L522-D526 WeakPolarHBondContact O-CB 3.5Å; L522-D526 VanDerWaalsContact O-CG 3.31Å; L522-D526 PolarHBondContact O-N 3.4Å; D526-G530 PolarHBondContact O-N 3.36Å
527	L	32.3	Very low	32.1	Very low	139 Å²	139	112.4 Å²	112.4	73%	0.728	63%	0.627	S	S	*	*	H	α-helix	trans	-75.8	-26.7	176.2	-135.3	92.8	0	0	0	113.1	L523	L523-L527 PolarHBondContact O-N 3.5Å
528	T	32.6	Very low	32	Very low	98 Å²	98	118.2 Å²	118.2	60%	0.601	65%	0.646	S	S	*	*	H	α-helix	trans	-89.4	-23	178.7	51.4	0	0	0	0	112.8	L524 S525	L524-T528 WeakPolarHBondContact O-CG2 3.41Å; L524-T528 PolarHBondContact O-N 3.44Å; L524-T528 PolarHBondContact O-OG1 3.44Å; S525-T528 PolarHBondContact O-N 3.35Å; S525-T528 PolarHBondContact O-OG1 3.16Å
529	Q	31.8	Very low	31.8	Very low	118 Å²	118	116.4 Å²	116.4	55%	0.551	65%	0.65	S	S	*	*	H	α-helix	trans	-88.2	-18.4	169.2	-80.2	172.7	-35.1	0	0	114	S525 A531 S532	S525-Q529 WeakPolarHBondContact O-CB 3.21Å; S525-Q529 PolarHBondContact O-N 2.77Å; Q529-A531 VanDerWaalsContact C-N 3.27Å; Q529-A531 PolarHBondContact O-N 2.73Å; Q529-S532 PolarHBondContact O-N 3.45Å
530	G	30.4	Very low	31.6	Very low	60 Å²	60	119.4 Å²	119.4	62%	0.619	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-16	176	0	0	0	0	0	115.5	D526	D526-G530 PolarHBondContact O-N 3.36Å
531	A	31.1	Very low	31.5	Very low	88 Å²	88	120.6 Å²	120.6	73%	0.727	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	4.2	179.1	0	0	0	0	0	114.2	Q529	Q529-A531 VanDerWaalsContact C-N 3.27Å; Q529-A531 PolarHBondContact O-N 2.73Å
532	S	31.3	Very low	31.2	Very low	91 Å²	91	122.3 Å²	122.3	64%	0.636	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	-0	-176.5	-54.8	0	0	0	0	115.2	Q529	Q529-S532 PolarHBondContact O-N 3.45Å
533	N	27.9	Very low	31	Very low	118 Å²	118	128.7 Å²	128.7	63%	0.631	71%	0.707	S	S	*	*			trans	-113.7	10.3	-175.5	-74.8	-20.8	0	0	0	115.2	I535	N533-I535 PolarHBondContact O-N 3.01Å
534	W	32.3	Very low	30.6	Very low	242 Å²	242	128.8 Å²	128.8	92%	0.917	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-5.3	173.6	-161.8	64.2	0	0	0	113.7
535	I	35.2	Very low	30.4	Very low	152 Å²	152	132.8 Å²	132.8	78%	0.779	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	-1.3	-174	-67.8	176.2	0	0	0	113.8	N533	N533-I535 PolarHBondContact O-N 3.01Å
536	Q	31.3	Very low	30.2	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.822	75%	0.746	S	S	*	*	S	Bend	trans	-142.6	47.8	-172.9	-92.4	-142.6	-7.5	0	0	117.4
537	S	28	Very low	30.1	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	76%	0.756	S	S	*	*			trans	-155.4	80.9	156.5	-164.5	0	0	0	0	112.6
538	L	30.6	Very low	29.8	Very low	170 Å²	170	135.9 Å²	135.9	89%	0.89	76%	0.758	S	S	*	*			trans	-109.8	32.4	166.2	-138.7	164.3	0	0	0	109.2
539	L	28.3	Very low	29.7	Very low	157 Å²	157	137.1 Å²	137.1	82%	0.822	77%	0.768	S	S	*	*	S	Bend	trans	-146.9	96.7	-176.5	-72.1	171.2	0	0	0	112.1
540	D	29.5	Very low	29.5	Very low	165 Å²	165	140.7 Å²	140.7	88%	0.882	78%	0.784	S	S	*	*			trans	52.3	152.5	142.7	-95.2	3.1	0	0	0	124.7
541	P	34.7	Very low	29.4	Very low	109 Å²	109	149.6 Å²	149.6	71%	0.708	80%	0.799	S	S	*	*			trans	-114.8	149.6	-150.9	40.4	-28.3	0	0	0	113.6
542	A	25.7	Very low	29.2	Very low	97 Å²	97	149.2 Å²	149.2	80%	0.802	80%	0.803	S	S	*	*			trans	-171.2	125.2	150.6	0	0	0	0	0	114.8
543	R	26.6	Very low	29	Very low	230 Å²	230	149.9 Å²	149.9	87%	0.868	82%	0.815	S	S	*	*			trans	66.1	99.9	135.3	-77.7	-177.1	166.8	-178.9	-2.7	122.5
544	T	25.7	Very low	29	Very low	119 Å²	119	152 Å²	152	73%	0.73	83%	0.826	S	S	*	*				45.4	130.9	108.5	60.4	0	0	0	0	123.6
545	K	27.2	Very low	29.1	Very low	202 Å²	202	144.9 Å²	144.9	88%	0.878	81%	0.811	S	S	*	*			trans	115.7	155.6	130.9	-92.2	-173.8	-177.9	-177.8	0	119.3
546	P	29.3	Very low	28.8	Very low	111 Å²	111	146.6 Å²	146.6	72%	0.721	82%	0.815	S	S	*	*				-114.6	179.6	-124	44.5	-33.8	0	0	0	115.2
547	P	29.6	Very low	28.5	Very low	120 Å²	120	149.8 Å²	149.8	78%	0.779	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-97.2	159.2	-175.2	36.9	-31.4	0	0	0	114.7
548	P	27.7	Very low	28.7	Very low	118 Å²	118	149.1 Å²	149.1	77%	0.766	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-100.3	172.3	174.2	39.4	-32.1	0	0	0	113.6
549	P	28.6	Very low	28.6	Very low	124 Å²	124	147 Å²	147	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-103.5	160.5	-156.5	38.4	-31.7	0	0	0	115.1
550	H	28.5	Very low	28.5	Very low	194 Å²	194	143 Å²	143	90%	0.898	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-101.2	126.6	171.5	-81.5	-73.1	0	0	0	112.8
551	R	27.7	Very low	28.6	Very low	246 Å²	246	141.6 Å²	141.6	93%	0.928	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68	152.7	153.5	-69.3	172.9	172	174.6	-3.9	108.1
552	G	27.1	Very low	28.3	Very low	80 Å²	80	141.3 Å²	141.3	83%	0.825	82%	0.821	S	S	*	*			cis	143.4	117.1	23.7	0	0	0	0	0	104.3
553	A	27.3	Very low	28.4	Very low	106 Å²	106	141.4 Å²	141.4	88%	0.876	82%	0.822	S	S	*	*			trans	-97.4	146.6	-175.3	0	0	0	0	0	110.7
554	D	28	Very low	28.7	Very low	163 Å²	163	137.6 Å²	137.6	87%	0.872	82%	0.824	S	S	*	*			trans	-117.9	144.8	167.1	-117.3	-19.4	0	0	0	110.3
555	P	34.9	Very low	28.8	Very low	92 Å²	92	136.7 Å²	136.7	60%	0.597	83%	0.829	S	S	*	*			trans	-99.9	162.8	-167.5	38.7	-31.8	0	0	0	112.1
556	H	27.6	Very low	28.8	Very low	188 Å²	188	130.7 Å²	130.7	87%	0.87	83%	0.825	S	S	*	*			trans	-179.3	142.2	131	-91.7	-54.7	0	0	0	113.7
557	R	26.8	Very low	29	Very low	242 Å²	242	130.6 Å²	130.6	91%	0.913	83%	0.833	S	S	*	*			trans	92.9	98.6	150.3	-108.5	174.5	179.8	173.8	-0.1	119.5
558	A	31.1	Very low	29.2	Very low	98 Å²	98	129.2 Å²	129.2	81%	0.81	83%	0.832	S	S	*	*			trans	-87.8	156.6	159.3	0	0	0	0	0	111.8
559	P	28.5	Very low	29.8	Very low	127 Å²	127	128.9 Å²	128.9	83%	0.825	82%	0.824	S	S	*	*			trans	-112.4	146.3	153.5	26.8	-10.3	0	0	0	112.3
560	G	26.7	Very low	30.8	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	82%	0.815	S	S	*	*			trans	-82.8	-178	-171.1	0	0	0	0	0	116.6
561	P	31.3	Very low	32.4	Very low	135 Å²	135	121.7 Å²	121.7	88%	0.877	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-85	133.8	-161.3	32.9	-32	0	0	0	112.9
562	A	29.1	Very low	34.3	Very low	103 Å²	103	117.5 Å²	117.5	85%	0.851	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-85.4	150.6	168.8	0	0	0	0	0	111
563	A	26.3	Very low	37	Very low	100 Å²	100	115.1 Å²	115.1	83%	0.826	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-62.5	142	-162.3	0	0	0	0	0	115.9	A565	A563-A565 PolarHBondContact O-N 3.39Å
564	T	34.1	Very low	39.8	Very low	149 Å²	149	112.8 Å²	112.8	91%	0.914	72%	0.716	S	S	*	*			trans	-68.1	114.4	169.1	47.1	0	0	0	0	111.1
565	A	27.9	Very low	42.3	Very low	100 Å²	100	113.2 Å²	113.2	83%	0.826	72%	0.719	S	S	*	*			trans	-112.3	115.5	165.9	0	0	0	0	0	109.3	A563	A563-A565 PolarHBondContact O-N 3.39Å
566	G	26	Very low	44.6	Very low	77 Å²	77	112.8 Å²	112.8	79%	0.794	73%	0.731	S	S	*	*			trans	53.7	75	155.1	0	0	0	0	0	119.1	A568	G566-A568 PolarHBondContact O-N 3.34Å
567	A	34.4	Very low	47.6	Very low	108 Å²	108	104.4 Å²	104.4	89%	0.893	69%	0.692	S	S	*	*			trans	-75.5	99.2	155.6	0	0	0	0	0	108.6
568	A	34.4	Very low	50.5	Low	92 Å²	92	100.7 Å²	100.7	76%	0.76	69%	0.685	S	S	*	*			trans	-119.5	111	172	0	0	0	0	0	108.9	G566	G566-A568 PolarHBondContact O-N 3.34Å
569	D	39.8	Very low	53.3	Low	111 Å²	111	96.4 Å²	96.4	59%	0.594	65%	0.649	S	S	*	*			trans	54.5	67.9	164.6	-118	15.5	0	0	0	118.1	L571 H572	D569-L571 PolarHBondContact O-N 3.31Å; D569-H572 IonicContact OD1-CD2 3.22Å; D569-H572 PolarHBondContact OD1-CD2 2.96Å; D569-H572 VanDerWaalsContact OD1-CD2 3.22Å; D569-H572 IonicContact OD1-NE2 3.59Å
570	I	49.7	Very low	56.3	Low	122 Å²	122	93.4 Å²	93.4	63%	0.626	63%	0.626	S	S	*	*			trans	-63.1	129.6	157.4	-60.7	171.7	0	0	0	106.9	H572	I570-H572 PolarHBondContact O-CD2 2.92Å; I570-H572 PolarHBondContact O-N 2.83Å
571	L	61.6	Low	59.3	Low	45 Å²	45	95.1 Å²	95.1	24%	0.236	61%	0.61	C	S	.	*			trans	-31.2	100.8	173	-89.1	142.2	0	0	0	112.2	L136 R139 R160 E164 D569 Y573	L136-L571 HydrophobicContact CD2-CD1 4.15Å; L136-L571 HydrophobicContact CD2-CD2 3.67Å; L136-L571 HydrophobicContact CD2-CG 4.37Å; R139-L571 HydrophobicContact CG-CD2 4.46Å; R160-L571 HydrophobicContact CB-CD1 4.07Å; E164-L571 HydrophobicContact CB-CD1 3.93Å; E164-L571 HydrophobicContact CG-CD1 4.25Å; D569-L571 PolarHBondContact O-N 3.31Å; L571-Y573 PolarHBondContact O-N 3.5Å
572	H	68.7	Low	61.9	Low	158 Å²	158	89 Å²	89	73%	0.731	57%	0.57	S	S	*	*			trans	-77.7	111.6	-174.7	-86.1	-73.5	0	0	0	110.3	D569 I570	D569-H572 IonicContact OD1-CD2 3.22Å; D569-H572 PolarHBondContact OD1-CD2 2.96Å; D569-H572 VanDerWaalsContact OD1-CD2 3.22Å; D569-H572 IonicContact OD1-NE2 3.59Å; I570-H572 PolarHBondContact O-CD2 2.92Å; I570-H572 PolarHBondContact O-N 2.83Å
573	Y	83.3	Confident	64.2	Low	29 Å²	29	91.8 Å²	91.8	11%	0.114	57%	0.565	C	S	.	*	P	Polyproline II helix	trans	-72.7	156.5	165.6	-69.9	-75.6	0	0	0	110.7	A132 H135 E164 L571 F577 P579	A132-Y573 HydrophobicContact CB-CE1 3.94Å; H135-Y573 HydrophobicContact CB-CD1 4.11Å; H135-Y573 HydrophobicContact CB-CE1 4.15Å; E164-Y573 VanDerWaalsContact OE1-CE2 3.27Å; E164-Y573 WeakPolarHBondContact OE1-CE2 3.46Å; E164-Y573 PolarHBondContact OE1-OH 3.37Å; L571-Y573 PolarHBondContact O-N 3.5Å; Y573-F577 WeakPolarHBondContact CB-O 3.36Å; Y573-F577 AromaticContact CD1-CD1 3.85Å; Y573-F577 HydrophobicContact CD1-CD1 3.85Å; Y573-F577 AromaticContact CD1-CE1 3.65Å; Y573-F577 HydrophobicContact CD1-CE1 3.65Å; Y573-F577 HydrophobicContact CE1-CE1 4.12Å; Y573-F577 HydrophobicContact CG-CD1 4.13Å; Y573-F577 HydrophobicContact CG-CE1 4.25Å; Y573-P579 HydrophobicContact CD2-CG 4.09Å; Y573-P579 HydrophobicContact CE2-CB 4.46Å; Y573-P579 VanDerWaalsContact CE2-CD 3.46Å; Y573-P579 HydrophobicContact CE2-CG 3.48Å; Y573-P579 VanDerWaalsContact CE2-CG 3.48Å
574	P	85.4	Confident	66.1	Low	57 Å²	57	89 Å²	89	37%	0.37	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-56.8	145.4	176.3	-23.7	33	0	0	0	112.4	G576 F577	P574-G576 PolarHBondContact O-N 3.35Å; P574-F577 PolarHBondContact O-N 2.86Å
575	D	81.8	Confident	67.5	Low	172 Å²	172	88.4 Å²	88.4	92%	0.92	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	130.5	-180	-69.9	-27.7	0	0	0	112.3	F577	D575-F577 VanDerWaalsContact C-N 3.34Å
576	G	82.4	Confident	69	Low	83 Å²	83	84.3 Å²	84.3	86%	0.856	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	10.8	-179.1	0	0	0	0	0	115.1	P574	P574-G576 PolarHBondContact O-N 3.35Å
577	F	90.2	Very high	70.7	Confident	12 Å²	12	88.1 Å²	88.1	5%	0.053	48%	0.484	C	S	.	.			trans	-123.9	127.7	169	175.1	-113.4	0	0	0	111.5	R131 A132 H135 Y573 P574 D575	R131-F577 HydrophobicContact CB-CE2 4.42Å; R131-F577 HydrophobicContact CB-CZ 4Å; R131-F577 HydrophobicContact CG-CE1 3.97Å; R131-F577 HydrophobicContact CG-CE2 4.14Å; R131-F577 HydrophobicContact CG-CZ 3.76Å; R131-F577 VanDerWaalsContact CZ-CG 3.49Å; A132-F577 HydrophobicContact CB-CE1 4.22Å; A132-F577 HydrophobicContact CB-CZ 4.07Å; H135-F577 AromaticContact CD2-CD1 3.97Å; H135-F577 AromaticContact CD2-CE1 3.82Å; Y573-F577 WeakPolarHBondContact CB-O 3.36Å; Y573-F577 AromaticContact CD1-CD1 3.85Å; Y573-F577 HydrophobicContact CD1-CD1 3.85Å; Y573-F577 AromaticContact CD1-CE1 3.65Å; Y573-F577 HydrophobicContact CD1-CE1 3.65Å; Y573-F577 HydrophobicContact CE1-CE1 4.12Å; Y573-F577 HydrophobicContact CG-CD1 4.13Å; Y573-F577 HydrophobicContact CG-CE1 4.25Å; P574-F577 PolarHBondContact O-N 2.86Å; D575-F577 VanDerWaalsContact C-N 3.34Å
578	E	87.6	Confident	72.1	Confident	165 Å²	165	83.9 Å²	83.9	77%	0.771	45%	0.447	S	S	*	.			trans	-128.3	139.4	167.6	-69	-171.2	167.6	0	0	109.6
579	P	90.8	Very high	73.4	Confident	8 Å²	8	83.4 Å²	83.4	5%	0.052	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-66.9	157.3	172.9	31.4	-38	0	0	0	110.9	A132 Y573 R581	A132-P579 HydrophobicContact CB-CB 3.75Å; Y573-P579 HydrophobicContact CD2-CG 4.09Å; Y573-P579 HydrophobicContact CE2-CB 4.46Å; Y573-P579 VanDerWaalsContact CE2-CD 3.46Å; Y573-P579 HydrophobicContact CE2-CG 3.48Å; Y573-P579 VanDerWaalsContact CE2-CG 3.48Å; P579-R581 PolarHBondContact O-N 3.19Å
580	L	91.1	Very high	74.4	Confident	64 Å²	64	80.4 Å²	80.4	34%	0.335	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-69.5	130.9	170.8	-62.2	174.5	0	0	0	109.1	Q129 H169	Q129-L580 PolarHBondContact NE2-O 3.26Å; H169-L580 HydrophobicContact CB-CB 3.73Å; H169-L580 WeakPolarHBondContact CB-O 3.45Å; H169-L580 PolarHBondContact N-O 3.47Å
581	R	90.4	Very high	75	Confident	107 Å²	107	75.4 Å²	75.4	40%	0.404	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-98.6	141.8	-179.8	-61.3	-59.8	-173	-168.8	-3.4	111.1	E164 S167 P579	E164-R581 IonicContact OE1-CZ 3.4Å; E164-R581 IonicContact OE1-NH1 2.79Å; E164-R581 PolarHBondContact OE1-NH1 2.79Å; E164-R581 IonicContact OE1-NH2 4Å; E164-R581 PolarHBondContact OE1-NH2 2.86Å; E164-R581 IonicContact OE2-CZ 2.99Å; E164-R581 IonicContact OE2-NH1 3.77Å; E164-R581 PolarHBondContact OE2-NH1 3.47Å; E164-R581 VanDerWaalsContact OE2-NH1 3.08Å; E164-R581 IonicContact OE2-NH2 3.74Å; E164-R581 PolarHBondContact OE2-NH2 2.99Å; S167-R581 CarbonylContact O-C 3.56Å; S167-R581 WeakPolarHBondContact O-CA 3.43Å; S167-R581 PolarHBondContact OG-NH1 3.49Å; P579-R581 PolarHBondContact O-N 3.19Å
582	S	84.1	Confident	74.8	Confident	7 Å²	7	78.4 Å²	78.4	5%	0.049	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-75.9	140.6	176.1	-163.5	0	0	0	0	110.6	S167 E236 C584	S167-S582 PolarHBondContact O-N 3.3Å; E236-S582 VanDerWaalsContact CD-OG 3.26Å; E236-S582 VanDerWaalsContact OE1-CB 3.25Å; E236-S582 WeakPolarHBondContact OE1-CB 3.41Å; E236-S582 PolarHBondContact OE1-OG 2.73Å; S582-C584 VanDerWaalsContact C-N 3.27Å; S582-C584 VanDerWaalsContact CB-O 3.29Å; S582-C584 WeakPolarHBondContact CB-O 3.34Å; S582-C584 PolarHBondContact OG-N 2.94Å; S582-C584 PolarHBondContact OG-O 3.39Å
583	E	77.3	Confident	74.9	Confident	161 Å²	161	72.4 Å²	72.4	75%	0.752	39%	0.393	S	S	*	.	S	Bend	trans	-81.1	-13.4	169.8	-60.9	-174.1	175.2	0	0	112.4	R509	R509-E583 PolarHBondContact NH2-O 3.05Å; R509-E583 VanDerWaalsContact NH2-O 3.11Å
584	C	66.9	Low	74.6	Confident	41 Å²	41	75.1 Å²	75.1	28%	0.277	42%	0.421	S	S	.	.	S	Bend	trans	-100.3	114.4	171.6	-65.1	0	0	0	0	108	Q240 S582	Q240-C584 VanDerWaalsContact OE1-C 3.27Å; Q240-C584 PolarHBondContact OE1-O 2.86Å; S582-C584 VanDerWaalsContact C-N 3.27Å; S582-C584 VanDerWaalsContact CB-O 3.29Å; S582-C584 WeakPolarHBondContact CB-O 3.34Å; S582-C584 PolarHBondContact OG-N 2.94Å; S582-C584 PolarHBondContact OG-O 3.39Å
585	H	63.6	Low	74.7	Confident	137 Å²	137	74.7 Å²	74.7	63%	0.634	42%	0.418	S	S	*	.			trans	-84.7	119.7	175.1	-67.8	-68.5	0	0	0	109.3
586	A	59.8	Low	74.9	Confident	15 Å²	15	67 Å²	67	12%	0.124	38%	0.376	C	S	.	.			trans	-75.8	136.9	171.3	0	0	0	0	0	110	Q240 V588	Q240-A586 HydrophobicContact CB-CB 3.83Å; Q240-A586 HydrophobicContact CG-CB 3.7Å; A586-V588 HydrophobicContact CB-CG2 4.3Å
587	Y	61.6	Low	75.2	Confident	156 Å²	156	71.2 Å²	71.2	61%	0.612	37%	0.366	S	S	*	.			trans	-101.4	95.5	164.9	-167.7	-109.5	0	0	0	108.5	V504 L589	V504-Y587 HydrophobicContact CG2-CD1 4.23Å; Y587-L589 HydrophobicContact CD1-CD1 4.07Å; Y587-L589 HydrophobicContact CE1-CD1 3.13Å; Y587-L589 VanDerWaalsContact CZ-CD1 3.49Å; Y587-L589 WeakPolarHBondContact OH-CD1 3.2Å
588	V	63.5	Low	75.4	Confident	20 Å²	20	73.2 Å²	73.2	12%	0.121	38%	0.378	C	S	.	.			trans	-99.8	111.6	172	-178.7	0	0	0	0	107.2	V162 A490 A586 P590	V162-V588 HydrophobicContact CG1-CB 3.7Å; V162-V588 HydrophobicContact CG1-CG1 3.7Å; A490-V588 HydrophobicContact CB-CG1 3.91Å; A586-V588 HydrophobicContact CB-CG2 4.3Å; V588-P590 WeakPolarHBondContact O-CD 3.45Å
589	L	62.2	Low	75.8	Confident	81 Å²	81	66.9 Å²	66.9	42%	0.424	35%	0.351	S	S	.	.			trans	-69	124	173.3	-135.1	84.8	0	0	0	108.5	Y587	Y587-L589 HydrophobicContact CD1-CD1 4.07Å; Y587-L589 HydrophobicContact CE1-CD1 3.13Å; Y587-L589 VanDerWaalsContact CZ-CD1 3.49Å; Y587-L589 WeakPolarHBondContact OH-CD1 3.2Å
590	P	59.5	Low	76.1	Confident	48 Å²	48	68.2 Å²	68.2	31%	0.312	36%	0.356	S	S	.	.			trans	-57	140.1	170.3	-22	32.7	0	0	0	110.4	D159 V588 S592	D159-P590 VanDerWaalsContact OD1-CB 3.3Å; D159-P590 WeakPolarHBondContact OD1-CB 3.08Å; D159-P590 WeakPolarHBondContact OD1-CG 3.5Å; V588-P590 WeakPolarHBondContact O-CD 3.45Å; P590-S592 PolarHBondContact O-N 3.37Å
591	T	62.8	Low	76.3	Confident	18 Å²	18	65.2 Å²	65.2	11%	0.11	34%	0.341	C	S	.	.			trans	-71.1	97.7	175.9	53.6	0	0	0	0	109.2	T469 I493	T469-T591 HydrophobicContact CG2-CG2 3.69Å; T469-T591 PolarHBondContact N-OG1 3.18Å; T469-T591 PolarHBondContact OG1-OG1 3.04Å; I493-T591 HydrophobicContact CB-CG2 4.23Å; I493-T591 HydrophobicContact CD1-CG2 4.48Å; I493-T591 HydrophobicContact CG2-CG2 3.62Å
592	S	58.8	Low	76.6	Confident	108 Å²	108	60.1 Å²	60.1	76%	0.755	32%	0.321	S	S	*	.			trans	-107.1	-4.4	-177.4	55.1	0	0	0	0	114.1	P590 A594	P590-S592 PolarHBondContact O-N 3.37Å; S592-A594 PolarHBondContact O-N 2.88Å
593	C	69.6	Low	77.2	Confident	32 Å²	32	59.8 Å²	59.8	22%	0.216	32%	0.319	C	S	.	.			trans	-71.4	127.2	-177	-177.1	0	0	0	0	112	A497 S499 V595 I596	A497-C593 HydrophobicContact CB-CB 4.49Å; S499-C593 WeakPolarHBondContact OG-CB 3.33Å; C593-V595 PolarHBondContact O-N 2.87Å; C593-I596 WeakPolarHBondContact O-CG1 3.28Å; C593-I596 PolarHBondContact O-N 3.45Å; C593-I596 VanDerWaalsContact O-N 3.1Å
594	A	77.8	Confident	78.1	Confident	85 Å²	85	53 Å²	53	70%	0.702	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-57	-25	179.1	0	0	0	0	0	113.8	S592 I596 R597	S592-A594 PolarHBondContact O-N 2.88Å; A594-I596 VanDerWaalsContact C-N 3.27Å; A594-I596 PolarHBondContact O-N 3.24Å; A594-R597 PolarHBondContact O-N 3.43Å
595	V	86.3	Confident	79.5	Confident	48 Å²	48	54.2 Å²	54.2	29%	0.291	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-59.8	-34	178.3	176.4	0	0	0	0	112.2	F400 A497 C593 R597 N598 V601	F400-V595 HydrophobicContact CD1-CG1 3.87Å; F400-V595 HydrophobicContact CE1-CG1 4.49Å; F400-V595 HydrophobicContact CG-CG1 4.45Å; A497-V595 HydrophobicContact CB-CB 4.39Å; A497-V595 HydrophobicContact CB-CG1 4.34Å; C593-V595 PolarHBondContact O-N 2.87Å; V595-R597 PolarHBondContact O-N 3.37Å; V595-R597 VanDerWaalsContact O-N 3.15Å; V595-N598 WeakPolarHBondContact O-CB 3.26Å; V595-N598 PolarHBondContact O-N 3.03Å; V595-V601 HydrophobicContact CG1-CG2 4Å; V595-V601 WeakPolarHBondContact O-CG2 3.21Å
596	I	86.6	Confident	81	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.051	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-63.7	-22.9	-179.8	55.3	138.2	0	0	0	113.3	L467 T468 I493 A497 C593 A594 S602	L467-I596 WeakPolarHBondContact O-CB 3.24Å; T468-I596 HydrophobicContact CG2-CD1 3.8Å; I493-I596 HydrophobicContact CG2-CG2 3.52Å; A497-I596 HydrophobicContact CB-CG2 3.74Å; C593-I596 WeakPolarHBondContact O-CG1 3.28Å; C593-I596 PolarHBondContact O-N 3.45Å; C593-I596 VanDerWaalsContact O-N 3.1Å; A594-I596 VanDerWaalsContact C-N 3.27Å; A594-I596 PolarHBondContact O-N 3.24Å; I596-S602 WeakPolarHBondContact O-CB 3.3Å; I596-S602 PolarHBondContact O-OG 3.49Å
597	R	88.8	Confident	82.7	Confident	172 Å²	172	50.4 Å²	50.4	65%	0.649	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-88.2	-3.3	175.8	-55.3	-172.5	87.7	131.8	3.9	113.2	A594 V595 L605	A594-R597 PolarHBondContact O-N 3.43Å; V595-R597 PolarHBondContact O-N 3.37Å; V595-R597 VanDerWaalsContact O-N 3.15Å; R597-L605 HydrophobicContact CB-CD1 4.16Å; R597-L605 HydrophobicContact CG-CD1 4.33Å
598	N	93.9	Very high	84.2	Confident	55 Å²	55	46.5 Å²	46.5	29%	0.294	27%	0.27	S	S	.	.	S	Bend	trans	-61	131.1	175.8	-173.7	-45.7	0	0	0	109.5	V595 F600 V601 S602	V595-N598 WeakPolarHBondContact O-CB 3.26Å; V595-N598 PolarHBondContact O-N 3.03Å; N598-F600 PolarHBondContact O-N 3.02Å; N598-F600 VanDerWaalsContact O-N 3.11Å; N598-F600 PolarHBondContact OD1-N 3.4Å; N598-V601 HydrophobicContact CB-CB 4.19Å; N598-V601 HydrophobicContact CB-CG2 3.93Å; N598-V601 WeakPolarHBondContact O-CA 3.19Å; N598-V601 WeakPolarHBondContact O-CB 3.49Å; N598-V601 PolarHBondContact O-N 3.43Å; N598-S602 PolarHBondContact O-N 2.99Å
599	P	96.4	Very high	85.6	Confident	32 Å²	32	48.8 Å²	48.8	21%	0.208	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.7	176.7	-32.8	39.3	0	0	0	115.6	M445 V601 S602 P603 A606 L610	M445-P599 HydrophobicContact CE-CB 4.01Å; P599-V601 VanDerWaalsContact C-N 3.31Å; P599-S602 CarbonylContact O-C 3.53Å; P599-P603 VanDerWaalsContact O-CA 3.24Å; P599-P603 WeakPolarHBondContact O-CA 3.32Å; P599-A606 HydrophobicContact CB-CB 3.76Å; P599-L610 HydrophobicContact CB-CD1 3.89Å; P599-L610 HydrophobicContact CG-CD1 4.28Å
600	F	96.8	Very high	87.1	Confident	36 Å²	36	47.1 Å²	47.1	16%	0.158	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.6	177.3	-69.7	-81	0	0	0	113.6	F400 L404 T442 M445 R446 N598 L610	F400-F600 HydrophobicContact CE2-CB 3.79Å; F400-F600 HydrophobicContact CZ-CB 3.88Å; L404-F600 HydrophobicContact CD2-CB 3.79Å; L404-F600 HydrophobicContact CD2-CD1 3.76Å; L404-F600 HydrophobicContact CD2-CG 4.06Å; T442-F600 WeakPolarHBondContact CG2-O 3.35Å; M445-F600 HydrophobicContact CB-CD1 4.32Å; M445-F600 HydrophobicContact CB-CE1 3.63Å; M445-F600 HydrophobicContact CB-CZ 4.28Å; M445-F600 HydrophobicContact CE-CD1 4.29Å; M445-F600 HydrophobicContact CE-CE1 4.23Å; M445-F600 HydrophobicContact CE-CZ 4.47Å; R446-F600 HydrophobicContact CB-CE1 4.24Å; N598-F600 PolarHBondContact O-N 3.02Å; N598-F600 VanDerWaalsContact O-N 3.11Å; N598-F600 PolarHBondContact OD1-N 3.4Å; F600-L610 HydrophobicContact CE2-CD1 4.44Å
601	V	95.6	Very high	88.9	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-51.3	170.5	177.4	0	0	0	0	108.9	F400 N438 L467 Y496 V595 N598 P599 P603	F400-V601 HydrophobicContact CB-CG2 4.29Å; F400-V601 HydrophobicContact CD1-CG2 3.86Å; F400-V601 HydrophobicContact CD2-CG2 3.41Å; F400-V601 VanDerWaalsContact CD2-CG2 3.41Å; F400-V601 HydrophobicContact CE1-CG2 4Å; F400-V601 HydrophobicContact CE2-CG2 3.58Å; F400-V601 HydrophobicContact CG-CG2 3.57Å; F400-V601 HydrophobicContact CZ-CG2 3.87Å; N438-V601 PolarHBondContact ND2-O 3.49Å; L467-V601 HydrophobicContact CB-CG1 4.16Å; L467-V601 VanDerWaalsContact CD1-O 3.28Å; L467-V601 WeakPolarHBondContact CD1-O 3.5Å; L467-V601 HydrophobicContact CD2-CG1 3.77Å; Y496-V601 HydrophobicContact CD1-CG1 4.09Å; Y496-V601 HydrophobicContact CE1-CG1 4.11Å; Y496-V601 HydrophobicContact CE1-CG2 4.27Å; V595-V601 HydrophobicContact CG1-CG2 4Å; V595-V601 WeakPolarHBondContact O-CG2 3.21Å; N598-V601 HydrophobicContact CB-CB 4.19Å; N598-V601 HydrophobicContact CB-CG2 3.93Å; N598-V601 WeakPolarHBondContact O-CA 3.19Å; N598-V601 WeakPolarHBondContact O-CB 3.49Å; N598-V601 PolarHBondContact O-N 3.43Å; P599-V601 VanDerWaalsContact C-N 3.31Å; V601-P603 WeakPolarHBondContact O-CD 3.28Å
602	S	96.6	Very high	90.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.301	C	S	.	.			trans	-115	84.8	177.2	-66.9	0	0	0	0	110.6	T465 L467 I596 N598 P599 L604 L605	T465-S602 CarbonylContact O-C 3.35Å; T465-S602 WeakPolarHBondContact O-CA 3.46Å; L467-S602 PolarHBondContact N-OG 2.87Å; I596-S602 WeakPolarHBondContact O-CB 3.3Å; I596-S602 PolarHBondContact O-OG 3.49Å; N598-S602 PolarHBondContact O-N 2.99Å; P599-S602 CarbonylContact O-C 3.53Å; S602-L604 PolarHBondContact O-N 3.31Å; S602-L604 VanDerWaalsContact O-N 3.12Å; S602-L605 WeakPolarHBondContact O-CB 3.4Å; S602-L605 PolarHBondContact O-N 3.35Å
603	P	97.3	Very high	91.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-60.5	-21.6	-178.6	23.2	-33.8	0	0	0	113.8	N438 I441 T442 M445 T465 P599 V601 L605 A606 F634	N438-P603 VanDerWaalsContact ND2-CD 3.25Å; N438-P603 WeakPolarHBondContact ND2-CD 3.18Å; I441-P603 HydrophobicContact CB-CB 4.49Å; I441-P603 HydrophobicContact CB-CG 4.48Å; I441-P603 HydrophobicContact CD1-CG 4.44Å; I441-P603 HydrophobicContact CG2-CB 3.65Å; I441-P603 HydrophobicContact CG2-CG 4.14Å; T442-P603 HydrophobicContact CG2-CB 4.28Å; T442-P603 HydrophobicContact CG2-CG 4.24Å; M445-P603 HydrophobicContact SD-CB 4.11Å; T465-P603 VanDerWaalsContact O-CD 3.23Å; T465-P603 WeakPolarHBondContact O-CD 3.4Å; P599-P603 VanDerWaalsContact O-CA 3.24Å; P599-P603 WeakPolarHBondContact O-CA 3.32Å; V601-P603 WeakPolarHBondContact O-CD 3.28Å; P603-L605 PolarHBondContact O-N 3.16Å; P603-A606 WeakPolarHBondContact O-CB 3.29Å; P603-A606 PolarHBondContact O-N 3.2Å; P603-F634 HydrophobicContact CB-CE2 4.27Å; P603-F634 HydrophobicContact CB-CZ 4.48Å
604	L	96.7	Very high	93.2	Very high	18 Å²	18	47 Å²	47	9%	0.094	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-59.3	-30.8	170.3	-179.2	58.2	0	0	0	112.7	T465 L466 S602 A606 M633 F634 K637	T465-L604 VanDerWaalsContact O-CB 3.24Å; T465-L604 WeakPolarHBondContact O-CB 3.45Å; T465-L604 PolarHBondContact O-N 2.81Å; L466-L604 HydrophobicContact CB-CB 4.23Å; L466-L604 HydrophobicContact CB-CD2 3.89Å; L466-L604 HydrophobicContact CD1-CB 4.49Å; L466-L604 HydrophobicContact CD1-CD2 4.41Å; L466-L604 HydrophobicContact CD2-CD2 4.12Å; L466-L604 HydrophobicContact CG-CD2 4.36Å; S602-L604 PolarHBondContact O-N 3.31Å; S602-L604 VanDerWaalsContact O-N 3.12Å; L604-A606 VanDerWaalsContact C-N 3.34Å; L604-M633 HydrophobicContact CD1-CB 4.04Å; L604-M633 HydrophobicContact CD2-CB 3.97Å; L604-F634 HydrophobicContact CB-CD2 4.34Å; L604-F634 HydrophobicContact CD1-CB 3.99Å; L604-F634 HydrophobicContact CD1-CD2 4.08Å; L604-K637 HydrophobicContact CD1-CD 4.28Å; L604-K637 WeakPolarHBondContact O-CD 3.47Å; L604-K637 PolarHBondContact O-NZ 2.96Å
605	L	95.1	Very high	94.1	Very high	66 Å²	66	43.4 Å²	43.4	35%	0.346	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-86.9	-4.4	177.8	-57.1	-179.7	0	0	0	112.9	L466 R597 S602 P603	L466-L605 HydrophobicContact CD1-CD1 3.86Å; L466-L605 HydrophobicContact CD1-CD2 3.86Å; L466-L605 HydrophobicContact CD1-CG 3.67Å; R597-L605 HydrophobicContact CB-CD1 4.16Å; R597-L605 HydrophobicContact CG-CD1 4.33Å; S602-L605 WeakPolarHBondContact O-CB 3.4Å; S602-L605 PolarHBondContact O-N 3.35Å; P603-L605 PolarHBondContact O-N 3.16Å
606	A	96.1	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.			trans	-62.2	135.3	-176.6	0	0	0	0	0	112	M445 P599 P603 L604 L611 K637	M445-A606 HydrophobicContact CE-CB 3.77Å; P599-A606 HydrophobicContact CB-CB 3.76Å; P603-A606 WeakPolarHBondContact O-CB 3.29Å; P603-A606 PolarHBondContact O-N 3.2Å; L604-A606 VanDerWaalsContact C-N 3.34Å; A606-L611 HydrophobicContact CB-CD1 4.13Å; A606-L611 HydrophobicContact CB-CD2 3.85Å; A606-L611 HydrophobicContact CB-CG 3.86Å; A606-K637 WeakPolarHBondContact O-CE 3.14Å; A606-K637 PolarHBondContact O-NZ 3.12Å
607	P	95.2	Very high	95.3	Very high	72 Å²	72	43.2 Å²	43.2	47%	0.468	25%	0.245	S	C	.	.			trans	-60.6	149.3	173.8	26.6	-35.2	0	0	0	110.5	G609 L610	P607-G609 PolarHBondContact O-N 2.84Å; P607-L610 HydrophobicContact CG-CB 4.45Å; P607-L610 HydrophobicContact CG-CD1 4Å; P607-L610 HydrophobicContact CG-CG 4.02Å; P607-L610 PolarHBondContact O-N 3.5Å
608	T	93.6	Very high	95.7	Very high	75 Å²	75	36 Å²	36	46%	0.46	22%	0.218	S	C	.	.	H	α-helix	trans	-51.6	-34	-178.3	-55.6	0	0	0	0	112.9	L610 L611 K612 M641	T608-L610 VanDerWaalsContact C-N 3.28Å; T608-L610 PolarHBondContact O-N 2.97Å; T608-L611 PolarHBondContact O-N 3.44Å; T608-K612 WeakPolarHBondContact O-CB 3.49Å; T608-K612 PolarHBondContact O-N 3.28Å; T608-M641 HydrophobicContact CG2-CB 4.07Å; T608-M641 HydrophobicContact CG2-CE 3.76Å; T608-M641 HydrophobicContact CG2-SD 3.93Å
609	G	92.4	Very high	96	Very high	67 Å²	67	33.3 Å²	33.3	69%	0.691	20%	0.204	S	C	*	.	H	α-helix	trans	-61.2	-29.1	177.1	0	0	0	0	0	115	P607	P607-G609 PolarHBondContact O-N 2.84Å
610	L	93.4	Very high	96.1	Very high	47 Å²	47	31.8 Å²	31.8	25%	0.246	19%	0.194	C	C	.	.	H	α-helix	trans	-85.8	-19.9	176.5	-69.7	-177.7	0	0	0	113.4	M445 P599 F600 P607 T608	M445-L610 HydrophobicContact CE-CB 4Å; M445-L610 HydrophobicContact CE-CD1 4.04Å; P599-L610 HydrophobicContact CB-CD1 3.89Å; P599-L610 HydrophobicContact CG-CD1 4.28Å; F600-L610 HydrophobicContact CE2-CD1 4.44Å; P607-L610 HydrophobicContact CG-CB 4.45Å; P607-L610 HydrophobicContact CG-CD1 4Å; P607-L610 HydrophobicContact CG-CG 4.02Å; P607-L610 PolarHBondContact O-N 3.5Å; T608-L610 VanDerWaalsContact C-N 3.28Å; T608-L610 PolarHBondContact O-N 2.97Å
611	L	96.3	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-95.7	-23.2	179.4	-61	178.8	0	0	0	112.3	M445 A606 T608 G613 L614 F634 K637 L638 M641	M445-L611 HydrophobicContact CG-CD2 4.45Å; M445-L611 HydrophobicContact SD-CD2 4.09Å; A606-L611 HydrophobicContact CB-CD1 4.13Å; A606-L611 HydrophobicContact CB-CD2 3.85Å; A606-L611 HydrophobicContact CB-CG 3.86Å; T608-L611 PolarHBondContact O-N 3.44Å; L611-G613 PolarHBondContact O-N 3.43Å; L611-L614 HydrophobicContact CB-CD1 4.21Å; L611-L614 HydrophobicContact CD2-CD1 3.75Å; L611-L614 WeakPolarHBondContact O-CB 3.4Å; L611-L614 VanDerWaalsContact O-CG 3.25Å; L611-L614 WeakPolarHBondContact O-CG 3.26Å; L611-L614 PolarHBondContact O-N 3.35Å; L611-F634 HydrophobicContact CD1-CE2 4.2Å; L611-F634 HydrophobicContact CD2-CE2 4.17Å; L611-F634 HydrophobicContact CD2-CZ 4.29Å; L611-K637 HydrophobicContact CD1-CD 4.03Å; L611-K637 HydrophobicContact CD1-CG 4.48Å; L611-L638 HydrophobicContact CB-CD2 4.18Å; L611-L638 HydrophobicContact CD1-CD2 4.24Å; L611-M641 HydrophobicContact CB-CE 4.32Å; L611-M641 HydrophobicContact CB-SD 3.79Å; L611-M641 HydrophobicContact CD1-CE 4.1Å
612	K	93.9	Very high	96.1	Very high	159 Å²	159	30 Å²	30	69%	0.691	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	125.2	178	-173.5	175.3	-176.9	178.9	0	109.8	T608	T608-K612 WeakPolarHBondContact O-CB 3.49Å; T608-K612 PolarHBondContact O-N 3.28Å
613	G	92.1	Very high	95.9	Very high	37 Å²	37	30.2 Å²	30.2	38%	0.381	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	6.5	-179.6	0	0	0	0	0	113.7	L454 L611	L454-G613 WeakPolarHBondContact CD1-O 3.43Å; L611-G613 PolarHBondContact O-N 3.43Å
614	L	97	Very high	95.8	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-53.1	158.3	163.6	-77.2	176.5	0	0	0	110.1	C444 M445 L448 L611 L638 Q643	C444-L614 HydrophobicContact CB-CD2 3.45Å; C444-L614 VanDerWaalsContact CB-CD2 3.45Å; M445-L614 HydrophobicContact CG-CD2 4.2Å; L448-L614 HydrophobicContact CD1-CD2 3.99Å; L448-L614 HydrophobicContact CD1-CG 4.27Å; L611-L614 HydrophobicContact CB-CD1 4.21Å; L611-L614 HydrophobicContact CD2-CD1 3.75Å; L611-L614 WeakPolarHBondContact O-CB 3.4Å; L611-L614 VanDerWaalsContact O-CG 3.25Å; L611-L614 WeakPolarHBondContact O-CG 3.26Å; L611-L614 PolarHBondContact O-N 3.35Å; L614-L638 HydrophobicContact CD1-CD2 4.31Å; L614-Q643 HydrophobicContact CB-CG 4.36Å; L614-Q643 PolarHBondContact O-NE2 2.75Å
615	P	97.1	Very high	95.6	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.058	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-72.2	173.5	168.7	35.1	-38.4	0	0	0	110.6	P455 I458 V617 Q643	P455-P615 HydrophobicContact CG-CG 4.17Å; P455-P615 WeakPolarHBondContact O-CB 3.44Å; I458-P615 HydrophobicContact CD1-CG 3.94Å; I458-P615 HydrophobicContact CG1-CG 4Å; P615-V617 WeakPolarHBondContact O-CG2 3.33Å; P615-V617 PolarHBondContact O-N 3.27Å; P615-Q643 PolarHBondContact O-NE2 2.98Å
616	P	98.1	Very high	95.5	Very high	53 Å²	53	26.7 Å²	26.7	34%	0.344	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-51.2	129.2	169.4	-27	35.3	0	0	0	112.1	D456 G457 I458 A644	D456-P616 WeakPolarHBondContact O-CD 3.33Å; G457-P616 WeakPolarHBondContact CA-O 3.38Å; I458-P616 PolarHBondContact N-O 3.11Å; P616-A644 WeakPolarHBondContact CA-O 3.48Å; P616-A644 HydrophobicContact CB-CB 4.08Å; P616-A644 HydrophobicContact CG-CB 4.17Å
617	V	98.6	Very high	95.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.8	-178.3	-174.2	0	0	0	0	110.4	I458 P615 L619 L638 A644 V645 T646	I458-V617 HydrophobicContact CB-CG1 4.47Å; I458-V617 HydrophobicContact CD1-CG2 4.08Å; I458-V617 HydrophobicContact CG2-CG1 4.41Å; P615-V617 WeakPolarHBondContact O-CG2 3.33Å; P615-V617 PolarHBondContact O-N 3.27Å; V617-L619 HydrophobicContact CG1-CD2 3.58Å; V617-L619 HydrophobicContact CG1-CG 4.06Å; V617-L638 HydrophobicContact CB-CD1 3.89Å; V617-L638 HydrophobicContact CG1-CD1 4.19Å; V617-L638 HydrophobicContact CG2-CD1 3.76Å; V617-A644 PolarHBondContact N-O 2.79Å; V617-V645 HydrophobicContact CB-CG2 4.31Å; V617-V645 CarbonylContact O-C 3.59Å; V617-V645 WeakPolarHBondContact O-CA 3.38Å; V617-V645 WeakPolarHBondContact O-CG2 3.32Å; V617-T646 PolarHBondContact O-N 2.82Å
618	H	98.6	Very high	95.6	Very high	20 Å²	20	23.4 Å²	23.4	9%	0.093	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.4	174.5	-56.9	-71.8	0	0	0	110.1	I458 M459 A460 T646 R677	I458-H618 WeakPolarHBondContact O-CB 3.46Å; I458-H618 PolarHBondContact O-CD2 3.28Å; I458-H618 PolarHBondContact O-N 3.42Å; M459-H618 CarbonylContact C-O 3.53Å; M459-H618 WeakPolarHBondContact CA-O 3.42Å; A460-H618 PolarHBondContact N-O 3.44Å; H618-T646 WeakPolarHBondContact CA-OG1 3.47Å; H618-T646 PolarHBondContact ND1-OG1 2.87Å; H618-R677 HydrophobicContact CB-CB 3.79Å; H618-R677 HydrophobicContact CB-CG 4Å
619	L	98.8	Very high	95.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.9	177.7	-54.8	-178.2	0	0	0	110.1	A460 P463 V617 F634 A635 V645 T646 L647 T648	A460-L619 HydrophobicContact CB-CD2 3.99Å; A460-L619 WeakPolarHBondContact O-CA 3.4Å; P463-L619 HydrophobicContact CG-CD2 3.93Å; V617-L619 HydrophobicContact CG1-CD2 3.58Å; V617-L619 HydrophobicContact CG1-CG 4.06Å; L619-F634 HydrophobicContact CD1-CD1 4.16Å; L619-A635 HydrophobicContact CD1-CB 3.92Å; L619-V645 HydrophobicContact CD1-CG2 4.46Å; L619-T646 PolarHBondContact N-O 3.27Å; L619-L647 HydrophobicContact CB-CD1 3.61Å; L619-L647 HydrophobicContact CD1-CD1 4.38Å; L619-L647 CarbonylContact O-C 3.48Å; L619-L647 WeakPolarHBondContact O-CA 3.43Å; L619-T648 PolarHBondContact O-N 3.32Å
620	V	98.5	Very high	96	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	93.2	171.2	-172	0	0	0	0	108.4	A460 A461 Y462 T648 V650 F657 I673 R677	A460-V620 PolarHBondContact O-N 2.91Å; A461-V620 CarbonylContact C-O 3.57Å; A461-V620 WeakPolarHBondContact CA-O 3.48Å; Y462-V620 PolarHBondContact N-O 3.4Å; V620-T648 CarbonylContact C-O 3.59Å; V620-T648 WeakPolarHBondContact CA-O 3.36Å; V620-V650 HydrophobicContact CG1-CG1 4.05Å; V620-F657 HydrophobicContact CG1-CZ 3.81Å; V620-I673 HydrophobicContact CG1-CG2 4.13Å; V620-I673 HydrophobicContact CG2-CG2 4.05Å; V620-R677 HydrophobicContact CG2-CG 4.35Å
621	A	97.6	Very high	96.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	162	-179.6	0	0	0	0	0	111.1	L628 L647 T648 V649 V650	A621-L628 HydrophobicContact CB-CD1 3.95Å; A621-L647 HydrophobicContact CB-CD1 3.98Å; A621-T648 PolarHBondContact N-O 2.92Å; A621-V649 CarbonylContact O-C 3.59Å; A621-V649 WeakPolarHBondContact O-CA 3.28Å; A621-V650 WeakPolarHBondContact O-CG2 3.35Å; A621-V650 PolarHBondContact O-N 2.87Å
622	S	94.8	Very high	96.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.4	172.9	-164.6	0	0	0	0	111.8	L624 D625 L653	S622-L624 VanDerWaalsContact C-N 3.34Å; S622-L624 PolarHBondContact O-N 2.86Å; S622-D625 WeakPolarHBondContact O-CB 3.42Å; S622-L653 VanDerWaalsContact OG-C 3.29Å; S622-L653 PolarHBondContact OG-O 3.09Å
623	A	93.8	Very high	96.5	Very high	4 Å²	4	7.5 Å²	7.5	3%	0.033	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-39.5	-179.6	0	0	0	0	0	112.1	T83 D625 V649 V650	T83-A623 WeakPolarHBondContact CB-O 3.18Å; T83-A623 WeakPolarHBondContact CG2-O 3.49Å; T83-A623 PolarHBondContact OG1-O 2.75Å; A623-D625 VanDerWaalsContact C-N 3.33Å; A623-D625 PolarHBondContact O-N 3.12Å; A623-V649 HydrophobicContact CB-CG1 4.05Å; A623-V650 WeakPolarHBondContact CB-O 3.47Å; A623-V650 PolarHBondContact N-O 3.17Å
624	L	93.6	Very high	96.7	Very high	9 Å²	9	5.8 Å²	5.8	5%	0.047	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	48.4	-179.6	-61.9	167.6	0	0	0	111.6	T83 V87 Q181 F182 S622 L653	T83-L624 HydrophobicContact CG2-CD2 3.63Å; T83-L624 HydrophobicContact CG2-CG 4.45Å; V87-L624 HydrophobicContact CG2-CD2 3.44Å; V87-L624 VanDerWaalsContact CG2-CD2 3.44Å; Q181-L624 HydrophobicContact CB-CD1 4.29Å; Q181-L624 HydrophobicContact CB-CD2 4.27Å; Q181-L624 HydrophobicContact CG-CD1 3.95Å; Q181-L624 HydrophobicContact CG-CD2 4.1Å; Q181-L624 VanDerWaalsContact O-CD1 3.28Å; Q181-L624 WeakPolarHBondContact O-CD1 3.27Å; F182-L624 HydrophobicContact CD1-CB 4.43Å; F182-L624 HydrophobicContact CD1-CD1 3.48Å; F182-L624 VanDerWaalsContact CD1-CD1 3.48Å; F182-L624 HydrophobicContact CE1-CB 3.74Å; F182-L624 HydrophobicContact CE1-CD1 3.6Å; F182-L624 HydrophobicContact CE1-CG 4.32Å; F182-L624 HydrophobicContact CG-CD1 4.32Å; F182-L624 HydrophobicContact CZ-CB 4.48Å; S622-L624 VanDerWaalsContact C-N 3.34Å; S622-L624 PolarHBondContact O-N 2.86Å; L624-L653 WeakPolarHBondContact CB-O 3.16Å
625	D	93.9	Very high	96.8	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.032	C	C	.	.			trans	-127.5	136.6	179.1	-174.5	-8.5	0	0	0	110.3	Y462 S622 A623 L627 L628 H655	Y462-D625 WeakPolarHBondContact CB-OD2 3.5Å; S622-D625 WeakPolarHBondContact O-CB 3.42Å; A623-D625 VanDerWaalsContact C-N 3.33Å; A623-D625 PolarHBondContact O-N 3.12Å; D625-L627 PolarHBondContact O-N 2.76Å; D625-L627 PolarHBondContact OD1-N 3.11Å; D625-L628 WeakPolarHBondContact O-CB 3.21Å; D625-L628 PolarHBondContact O-N 3.16Å; D625-L628 VanDerWaalsContact O-N 3.17Å; D625-H655 VanDerWaalsContact CG-ND1 3.31Å; D625-H655 IonicContact OD1-CG 2.71Å; D625-H655 IonicContact OD1-ND1 2.73Å; D625-H655 PolarHBondContact OD1-ND1 2.87Å; D625-H655 IonicContact OD2-CE1 2.93Å; D625-H655 IonicContact OD2-CG 3.94Å; D625-H655 IonicContact OD2-ND1 2.93Å; D625-H655 PolarHBondContact OD2-ND1 2.7Å
626	A	92.5	Very high	96.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.7	171.7	0	0	0	0	0	112.4	S474 R475 T478 L628	S474-A626 WeakPolarHBondContact CB-O 3.44Å; S474-A626 WeakPolarHBondContact O-CA 3.2Å; S474-A626 PolarHBondContact OG-O 3.41Å; R475-A626 WeakPolarHBondContact CD-O 3.15Å; R475-A626 PolarHBondContact NE-O 3.4Å; R475-A626 VanDerWaalsContact NE-O 3.08Å; T478-A626 HydrophobicContact CG2-CB 3.5Å; A626-L628 VanDerWaalsContact C-N 3.3Å; A626-L628 PolarHBondContact O-N 3.39Å
627	L	95.6	Very high	96.8	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.016	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4.4	-180	-48.2	-168.3	0	0	0	114.2	Y462 A464 L484 L489 D625 D629 D630 S631 H655	Y462-L627 WeakPolarHBondContact O-CD1 3.47Å; A464-L627 HydrophobicContact CB-CD1 4.01Å; L484-L627 HydrophobicContact CD2-CD2 4.19Å; L484-L627 HydrophobicContact CD2-CG 4.13Å; L489-L627 HydrophobicContact CD1-CD2 4.46Å; D625-L627 PolarHBondContact O-N 2.76Å; D625-L627 PolarHBondContact OD1-N 3.11Å; L627-D629 PolarHBondContact O-N 3.36Å; L627-D630 WeakPolarHBondContact O-CB 3.19Å; L627-D630 PolarHBondContact O-N 2.76Å; L627-S631 PolarHBondContact O-N 3.18Å; L627-S631 PolarHBondContact O-OG 2.96Å; L627-H655 WeakPolarHBondContact CD1-CE1 3.41Å
628	L	97.1	Very high	96.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-57.7	-50.7	-178.9	174.9	61.2	0	0	0	111.7	A621 D625 A626 D630 S631 V632 V649	A621-L628 HydrophobicContact CB-CD1 3.95Å; D625-L628 WeakPolarHBondContact O-CB 3.21Å; D625-L628 PolarHBondContact O-N 3.16Å; D625-L628 VanDerWaalsContact O-N 3.17Å; A626-L628 VanDerWaalsContact C-N 3.3Å; A626-L628 PolarHBondContact O-N 3.39Å; L628-D630 VanDerWaalsContact C-N 3.28Å; L628-D630 PolarHBondContact O-N 2.74Å; L628-S631 WeakPolarHBondContact O-CB 3.46Å; L628-S631 PolarHBondContact O-N 3.04Å; L628-S631 VanDerWaalsContact O-N 3.08Å; L628-V632 HydrophobicContact CD1-CG2 4.1Å; L628-V632 HydrophobicContact CG-CG2 4.38Å; L628-V632 WeakPolarHBondContact O-CG2 3.42Å; L628-V632 PolarHBondContact O-N 3.36Å; L628-V649 HydrophobicContact CD1-CG1 3.91Å; L628-V649 HydrophobicContact CD1-CG2 4.06Å
629	D	97.5	Very high	96.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.5	-32.1	-176.1	-67.2	-14.2	0	0	0	111.6	G80 L149 Y150 S472 P473 S474 L627 S631 V632 M633	G80-D629 PolarHBondContact N-OD1 2.82Å; L149-D629 HydrophobicContact CB-CB 4.01Å; L149-D629 HydrophobicContact CD1-CB 3.81Å; L149-D629 HydrophobicContact CG-CB 4.38Å; Y150-D629 HydrophobicContact CE2-CB 4.13Å; S472-D629 WeakPolarHBondContact CB-OD2 3.35Å; S472-D629 PolarHBondContact OG-OD2 3.18Å; S472-D629 VanDerWaalsContact OG-OD2 3.09Å; P473-D629 VanDerWaalsContact CD-OD2 3.25Å; P473-D629 WeakPolarHBondContact CD-OD2 3.32Å; S474-D629 VanDerWaalsContact CB-CG 3.44Å; S474-D629 WeakPolarHBondContact CB-OD2 3.07Å; S474-D629 PolarHBondContact N-OD2 2.89Å; S474-D629 VanDerWaalsContact OG-CB 3.23Å; S474-D629 WeakPolarHBondContact OG-CB 3.22Å; S474-D629 PolarHBondContact OG-N 3.41Å; S474-D629 PolarHBondContact OG-OD2 3.47Å; L627-D629 PolarHBondContact O-N 3.36Å; D629-S631 VanDerWaalsContact C-N 3.32Å; D629-S631 PolarHBondContact O-N 2.86Å; D629-V632 PolarHBondContact O-N 3.42Å; D629-M633 WeakPolarHBondContact O-CB 3.28Å; D629-M633 VanDerWaalsContact O-CG 3.25Å; D629-M633 WeakPolarHBondContact O-CG 3.48Å; D629-M633 PolarHBondContact O-N 2.94Å
630	D	96.3	Very high	96.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.2	-49.2	171.2	-59.9	20.3	0	0	0	110.5	Y150 T465 L466 R475 L627 L628 M633 F634	Y150-D630 PolarHBondContact OH-OD1 3.01Å; T465-D630 WeakPolarHBondContact OG1-CB 3.47Å; T465-D630 PolarHBondContact OG1-O 3.26Å; L466-D630 PolarHBondContact N-OD2 3.47Å; R475-D630 IonicContact CZ-OD1 3.69Å; R475-D630 IonicContact NE-OD1 3.22Å; R475-D630 IonicContact NH2-OD1 3.8Å; R475-D630 PolarHBondContact NH2-OD1 3.47Å; R475-D630 IonicContact NH2-OD2 2.8Å; R475-D630 PolarHBondContact NH2-OD2 3.26Å; L627-D630 WeakPolarHBondContact O-CB 3.19Å; L627-D630 PolarHBondContact O-N 2.76Å; L628-D630 VanDerWaalsContact C-N 3.28Å; L628-D630 PolarHBondContact O-N 2.74Å; D630-M633 PolarHBondContact O-N 3.11Å; D630-F634 VanDerWaalsContact O-CB 3.27Å; D630-F634 WeakPolarHBondContact O-CB 3.37Å; D630-F634 PolarHBondContact O-N 3.02Å
631	S	97.9	Very high	96.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.8	-42.1	-177.6	-60.6	0	0	0	0	111.5	L627 L628 D629 A635	L627-S631 PolarHBondContact O-N 3.18Å; L627-S631 PolarHBondContact O-OG 2.96Å; L628-S631 WeakPolarHBondContact O-CB 3.46Å; L628-S631 PolarHBondContact O-N 3.04Å; L628-S631 VanDerWaalsContact O-N 3.08Å; D629-S631 VanDerWaalsContact C-N 3.32Å; D629-S631 PolarHBondContact O-N 2.86Å; S631-A635 VanDerWaalsContact O-CB 3.3Å; S631-A635 WeakPolarHBondContact O-CB 3.3Å; S631-A635 PolarHBondContact O-N 2.81Å
632	V	98.3	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.4	-48.6	177.2	173.8	0	0	0	0	110.8	Y70 G78 L149 L628 D629 A635 K636 L647	Y70-V632 WeakPolarHBondContact O-CG1 3.33Å; G78-V632 VanDerWaalsContact O-CG2 3.25Å; G78-V632 WeakPolarHBondContact O-CG2 3.49Å; L149-V632 HydrophobicContact CD1-CB 4.11Å; L149-V632 HydrophobicContact CD1-CG1 3.87Å; L628-V632 HydrophobicContact CD1-CG2 4.1Å; L628-V632 HydrophobicContact CG-CG2 4.38Å; L628-V632 WeakPolarHBondContact O-CG2 3.42Å; L628-V632 PolarHBondContact O-N 3.36Å; D629-V632 PolarHBondContact O-N 3.42Å; V632-A635 PolarHBondContact O-N 3.07Å; V632-K636 HydrophobicContact CG1-CD 4.19Å; V632-K636 WeakPolarHBondContact O-CB 3.32Å; V632-K636 WeakPolarHBondContact O-CG 3.48Å; V632-K636 PolarHBondContact O-N 2.82Å; V632-L647 HydrophobicContact CB-CD2 4.48Å; V632-L647 HydrophobicContact CG2-CD2 3.91Å
633	M	97.8	Very high	96.3	Very high	14 Å²	14	22.1 Å²	22.1	7%	0.069	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-37.9	-179.2	-68.5	-51.7	-59.4	0	0	112.1	E148 L149 Y150 L604 D629 D630 K636 K637	E148-M633 WeakPolarHBondContact OE2-CE 3.34Å; L149-M633 HydrophobicContact CB-CG 3.95Å; L149-M633 HydrophobicContact CB-SD 3.98Å; L149-M633 HydrophobicContact CD1-CG 4.06Å; L149-M633 HydrophobicContact CD1-SD 3.93Å; L149-M633 HydrophobicContact CG-CG 4.44Å; L149-M633 HydrophobicContact CG-SD 4.08Å; Y150-M633 HydrophobicContact CD2-CG 4.04Å; Y150-M633 HydrophobicContact CE2-CG 4.29Å; L604-M633 HydrophobicContact CD1-CB 4.04Å; L604-M633 HydrophobicContact CD2-CB 3.97Å; D629-M633 WeakPolarHBondContact O-CB 3.28Å; D629-M633 VanDerWaalsContact O-CG 3.25Å; D629-M633 WeakPolarHBondContact O-CG 3.48Å; D629-M633 PolarHBondContact O-N 2.94Å; D630-M633 PolarHBondContact O-N 3.11Å; M633-K636 PolarHBondContact O-N 3.13Å; M633-K636 HydrophobicContact SD-CD 4.15Å; M633-K637 WeakPolarHBondContact O-CB 3.32Å; M633-K637 PolarHBondContact O-N 3.18Å
634	F	98.2	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.9	-43.5	175.2	-168.9	-117.4	0	0	0	111.7	I441 T465 P603 L604 L611 L619 D630 K636 K637 L638	I441-F634 HydrophobicContact CD1-CD1 4.19Å; I441-F634 HydrophobicContact CD1-CE1 3.52Å; I441-F634 HydrophobicContact CD1-CZ 4.01Å; I441-F634 HydrophobicContact CG1-CE1 4.15Å; I441-F634 HydrophobicContact CG1-CZ 4.45Å; I441-F634 HydrophobicContact CG2-CE1 4.35Å; I441-F634 HydrophobicContact CG2-CZ 3.8Å; T465-F634 HydrophobicContact CG2-CB 4.17Å; T465-F634 HydrophobicContact CG2-CD1 3.88Å; T465-F634 HydrophobicContact CG2-CE1 4.45Å; T465-F634 HydrophobicContact CG2-CG 3.98Å; P603-F634 HydrophobicContact CB-CE2 4.27Å; P603-F634 HydrophobicContact CB-CZ 4.48Å; L604-F634 HydrophobicContact CB-CD2 4.34Å; L604-F634 HydrophobicContact CD1-CB 3.99Å; L604-F634 HydrophobicContact CD1-CD2 4.08Å; L611-F634 HydrophobicContact CD1-CE2 4.2Å; L611-F634 HydrophobicContact CD2-CE2 4.17Å; L611-F634 HydrophobicContact CD2-CZ 4.29Å; L619-F634 HydrophobicContact CD1-CD1 4.16Å; D630-F634 VanDerWaalsContact O-CB 3.27Å; D630-F634 WeakPolarHBondContact O-CB 3.37Å; D630-F634 PolarHBondContact O-N 3.02Å; F634-K636 PolarHBondContact O-N 2.81Å; F634-K637 WeakPolarHBondContact O-CB 3.4Å; F634-K637 PolarHBondContact O-N 2.67Å; F634-L638 HydrophobicContact CD1-CD1 4.06Å; F634-L638 HydrophobicContact CE1-CD1 3.61Å; F634-L638 HydrophobicContact CE1-CG 4.2Å; F634-L638 HydrophobicContact CE2-CD2 4.42Å; F634-L638 HydrophobicContact CE2-CG 4.48Å; F634-L638 HydrophobicContact CZ-CD1 3.97Å; F634-L638 HydrophobicContact CZ-CD2 4.16Å; F634-L638 HydrophobicContact CZ-CG 4.19Å; F634-L638 WeakPolarHBondContact O-CG 3.21Å; F634-L638 PolarHBondContact O-N 2.82Å
635	A	98.4	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-47.3	175.1	0	0	0	0	0	111.8	F72 L619 S631 V632 K637 L638 R639 V645 L647	F72-A635 HydrophobicContact CD2-CB 3.5Å; F72-A635 VanDerWaalsContact CD2-CB 3.5Å; F72-A635 HydrophobicContact CE2-CB 3.49Å; F72-A635 VanDerWaalsContact CE2-CB 3.49Å; F72-A635 HydrophobicContact CG-CB 4.34Å; F72-A635 HydrophobicContact CZ-CB 4.31Å; L619-A635 HydrophobicContact CD1-CB 3.92Å; S631-A635 VanDerWaalsContact O-CB 3.3Å; S631-A635 WeakPolarHBondContact O-CB 3.3Å; S631-A635 PolarHBondContact O-N 2.81Å; V632-A635 PolarHBondContact O-N 3.07Å; A635-K637 VanDerWaalsContact C-N 3.3Å; A635-K637 PolarHBondContact O-N 3.31Å; A635-L638 PolarHBondContact O-N 2.95Å; A635-R639 WeakPolarHBondContact O-CB 3.37Å; A635-R639 PolarHBondContact O-N 2.82Å; A635-V645 HydrophobicContact CB-CG2 4.15Å; A635-L647 HydrophobicContact CB-CB 4.14Å; A635-L647 HydrophobicContact CB-CD2 4.26Å
636	K	97.6	Very high	96.9	Very high	32 Å²	32	27.3 Å²	27.3	14%	0.139	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-45.1	175.9	-79.3	177.5	166.6	178.4	0	111.2	Y70 D71 F72 G147 V632 M633 F634 R639 A640	Y70-K636 VanDerWaalsContact C-NZ 3.28Å; Y70-K636 PolarHBondContact O-NZ 3.01Å; D71-K636 WeakPolarHBondContact O-CE 3.18Å; D71-K636 PolarHBondContact O-NZ 2.83Å; F72-K636 HydrophobicContact CD2-CG 4.16Å; G147-K636 PolarHBondContact O-NZ 3.38Å; V632-K636 HydrophobicContact CG1-CD 4.19Å; V632-K636 WeakPolarHBondContact O-CB 3.32Å; V632-K636 WeakPolarHBondContact O-CG 3.48Å; V632-K636 PolarHBondContact O-N 2.82Å; M633-K636 PolarHBondContact O-N 3.13Å; M633-K636 HydrophobicContact SD-CD 4.15Å; F634-K636 PolarHBondContact O-N 2.81Å; K636-R639 PolarHBondContact O-N 3Å; K636-A640 VanDerWaalsContact O-CB 3.31Å; K636-A640 WeakPolarHBondContact O-CB 3.31Å; K636-A640 PolarHBondContact O-N 2.93Å
637	K	97.2	Very high	97.2	Very high	55 Å²	55	27.7 Å²	27.7	24%	0.239	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-50.4	178.4	-173.4	174.3	-166.5	177.3	0	111.8	L604 A606 L611 M633 F634 A635 A640 M641	L604-K637 HydrophobicContact CD1-CD 4.28Å; L604-K637 WeakPolarHBondContact O-CD 3.47Å; L604-K637 PolarHBondContact O-NZ 2.96Å; A606-K637 WeakPolarHBondContact O-CE 3.14Å; A606-K637 PolarHBondContact O-NZ 3.12Å; L611-K637 HydrophobicContact CD1-CD 4.03Å; L611-K637 HydrophobicContact CD1-CG 4.48Å; M633-K637 WeakPolarHBondContact O-CB 3.32Å; M633-K637 PolarHBondContact O-N 3.18Å; F634-K637 WeakPolarHBondContact O-CB 3.4Å; F634-K637 PolarHBondContact O-N 2.67Å; A635-K637 VanDerWaalsContact C-N 3.3Å; A635-K637 PolarHBondContact O-N 3.31Å; K637-A640 PolarHBondContact O-N 3.25Å; K637-M641 HydrophobicContact CG-CE 3.79Å; K637-M641 WeakPolarHBondContact O-CE 3.46Å; K637-M641 WeakPolarHBondContact O-CG 3.22Å; K637-M641 PolarHBondContact O-N 2.83Å
638	L	98.1	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-45	177.7	-67.3	-176.4	0	0	0	111.7	L611 L614 V617 F634 A635 A640 M641 G642 Q643 V645	L611-L638 HydrophobicContact CB-CD2 4.18Å; L611-L638 HydrophobicContact CD1-CD2 4.24Å; L614-L638 HydrophobicContact CD1-CD2 4.31Å; V617-L638 HydrophobicContact CB-CD1 3.89Å; V617-L638 HydrophobicContact CG1-CD1 4.19Å; V617-L638 HydrophobicContact CG2-CD1 3.76Å; F634-L638 HydrophobicContact CD1-CD1 4.06Å; F634-L638 HydrophobicContact CE1-CD1 3.61Å; F634-L638 HydrophobicContact CE1-CG 4.2Å; F634-L638 HydrophobicContact CE2-CD2 4.42Å; F634-L638 HydrophobicContact CE2-CG 4.48Å; F634-L638 HydrophobicContact CZ-CD1 3.97Å; F634-L638 HydrophobicContact CZ-CD2 4.16Å; F634-L638 HydrophobicContact CZ-CG 4.19Å; F634-L638 WeakPolarHBondContact O-CG 3.21Å; F634-L638 PolarHBondContact O-N 2.82Å; A635-L638 PolarHBondContact O-N 2.95Å; L638-A640 PolarHBondContact O-N 2.82Å; L638-M641 HydrophobicContact CD2-SD 4.3Å; L638-M641 WeakPolarHBondContact O-CG 3.19Å; L638-M641 PolarHBondContact O-N 2.65Å; L638-G642 PolarHBondContact O-N 3.36Å; L638-Q643 HydrophobicContact CB-CB 4.09Å; L638-Q643 HydrophobicContact CB-CG 4.37Å; L638-Q643 HydrophobicContact CD2-CB 4.26Å; L638-Q643 HydrophobicContact CD2-CG 4Å; L638-Q643 WeakPolarHBondContact O-CB 3.49Å; L638-Q643 PolarHBondContact O-N 3.39Å; L638-V645 HydrophobicContact CB-CB 3.99Å; L638-V645 HydrophobicContact CB-CG1 3.94Å; L638-V645 HydrophobicContact CB-CG2 4.34Å; L638-V645 HydrophobicContact CD1-CB 4.19Å; L638-V645 HydrophobicContact CD1-CG2 4Å
639	R	96.9	Very high	97.3	Very high	104 Å²	104	29.7 Å²	29.7	39%	0.392	19%	0.186	S	C	.	.	H	α-helix	trans	-63	-41.6	178.5	-173.1	177.8	63.5	-164.7	-1.1	112.3	F72 D73 A635 K636 M641 G642 V645	F72-R639 HydrophobicContact CE2-CB 4.16Å; F72-R639 HydrophobicContact CZ-CB 4.45Å; F72-R639 PolarHBondContact O-NH1 3.35Å; F72-R639 PolarHBondContact O-NH2 3.26Å; D73-R639 IonicContact OD2-NH1 3.6Å; D73-R639 PolarHBondContact OD2-NH1 2.94Å; A635-R639 WeakPolarHBondContact O-CB 3.37Å; A635-R639 PolarHBondContact O-N 2.82Å; K636-R639 PolarHBondContact O-N 3Å; R639-M641 PolarHBondContact O-N 2.99Å; R639-G642 PolarHBondContact O-N 3.13Å; R639-V645 HydrophobicContact CB-CG1 3.88Å
640	A	95.8	Very high	97.2	Very high	91 Å²	91	30.1 Å²	30.1	75%	0.752	19%	0.188	S	C	*	.	H	α-helix	trans	-61.6	-27	179.7	0	0	0	0	0	113	K636 K637 L638	K636-A640 VanDerWaalsContact O-CB 3.31Å; K636-A640 WeakPolarHBondContact O-CB 3.31Å; K636-A640 PolarHBondContact O-N 2.93Å; K637-A640 PolarHBondContact O-N 3.25Å; L638-A640 PolarHBondContact O-N 2.82Å
641	M	95.6	Very high	96.9	Very high	53 Å²	53	34.5 Å²	34.5	26%	0.261	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	8.4	174.9	64.3	-177.4	65.2	0	0	114.1	T608 L611 K637 L638 R639 Q643	T608-M641 HydrophobicContact CG2-CB 4.07Å; T608-M641 HydrophobicContact CG2-CE 3.76Å; T608-M641 HydrophobicContact CG2-SD 3.93Å; L611-M641 HydrophobicContact CB-CE 4.32Å; L611-M641 HydrophobicContact CB-SD 3.79Å; L611-M641 HydrophobicContact CD1-CE 4.1Å; K637-M641 HydrophobicContact CG-CE 3.79Å; K637-M641 WeakPolarHBondContact O-CE 3.46Å; K637-M641 WeakPolarHBondContact O-CG 3.22Å; K637-M641 PolarHBondContact O-N 2.83Å; L638-M641 HydrophobicContact CD2-SD 4.3Å; L638-M641 WeakPolarHBondContact O-CG 3.19Å; L638-M641 PolarHBondContact O-N 2.65Å; R639-M641 PolarHBondContact O-N 2.99Å; M641-Q643 VanDerWaalsContact C-N 3.26Å; M641-Q643 HydrophobicContact CG-CB 3.94Å; M641-Q643 PolarHBondContact O-N 2.97Å; M641-Q643 HydrophobicContact SD-CB 4.45Å
642	G	95.3	Very high	96.3	Very high	71 Å²	71	37.2 Å²	37.2	73%	0.732	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	14.7	-179.1	0	0	0	0	0	114.5	L638 R639	L638-G642 PolarHBondContact O-N 3.36Å; R639-G642 PolarHBondContact O-N 3.13Å
643	Q	96	Very high	95.9	Very high	27 Å²	27	37.3 Å²	37.3	13%	0.126	23%	0.227	C	C	.	.			trans	-78.4	131.9	176.1	-174.8	56.7	50.2	0	0	109.5	L614 P615 L638 M641 V645	L614-Q643 HydrophobicContact CB-CG 4.36Å; L614-Q643 PolarHBondContact O-NE2 2.75Å; P615-Q643 PolarHBondContact O-NE2 2.98Å; L638-Q643 HydrophobicContact CB-CB 4.09Å; L638-Q643 HydrophobicContact CB-CG 4.37Å; L638-Q643 HydrophobicContact CD2-CB 4.26Å; L638-Q643 HydrophobicContact CD2-CG 4Å; L638-Q643 WeakPolarHBondContact O-CB 3.49Å; L638-Q643 PolarHBondContact O-N 3.39Å; M641-Q643 VanDerWaalsContact C-N 3.26Å; M641-Q643 HydrophobicContact CG-CB 3.94Å; M641-Q643 PolarHBondContact O-N 2.97Å; M641-Q643 HydrophobicContact SD-CB 4.45Å; Q643-V645 PolarHBondContact O-N 3.25Å; Q643-V645 VanDerWaalsContact O-N 3.16Å
644	A	96.9	Very high	95.5	Very high	53 Å²	53	36.7 Å²	36.7	44%	0.438	22%	0.223	S	C	.	.			trans	-62.8	118.3	-177.7	0	0	0	0	0	110.5	P616 V617	P616-A644 WeakPolarHBondContact CA-O 3.48Å; P616-A644 HydrophobicContact CB-CB 4.08Å; P616-A644 HydrophobicContact CG-CB 4.17Å; V617-A644 PolarHBondContact N-O 2.79Å
645	V	98.2	Very high	95.2	Very high	25 Å²	25	37.5 Å²	37.5	15%	0.152	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.1	-178.1	63.8	0	0	0	0	110.8	F72 V617 L619 A635 L638 R639 Q643	F72-V645 HydrophobicContact CE2-CG1 4.43Å; F72-V645 HydrophobicContact CZ-CG1 4.19Å; V617-V645 HydrophobicContact CB-CG2 4.31Å; V617-V645 CarbonylContact O-C 3.59Å; V617-V645 WeakPolarHBondContact O-CA 3.38Å; V617-V645 WeakPolarHBondContact O-CG2 3.32Å; L619-V645 HydrophobicContact CD1-CG2 4.46Å; A635-V645 HydrophobicContact CB-CG2 4.15Å; L638-V645 HydrophobicContact CB-CB 3.99Å; L638-V645 HydrophobicContact CB-CG1 3.94Å; L638-V645 HydrophobicContact CB-CG2 4.34Å; L638-V645 HydrophobicContact CD1-CB 4.19Å; L638-V645 HydrophobicContact CD1-CG2 4Å; R639-V645 HydrophobicContact CB-CG1 3.88Å; Q643-V645 PolarHBondContact O-N 3.25Å; Q643-V645 VanDerWaalsContact O-N 3.16Å
646	T	98.2	Very high	94.7	Very high	46 Å²	46	38.2 Å²	38.2	28%	0.282	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.8	167.6	67	0	0	0	0	109	V617 H618 L619	V617-T646 PolarHBondContact O-N 2.82Å; H618-T646 WeakPolarHBondContact CA-OG1 3.47Å; H618-T646 PolarHBondContact ND1-OG1 2.87Å; L619-T646 PolarHBondContact N-O 3.27Å
647	L	98.6	Very high	94.3	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.6	168.4	-179.7	62.8	0	0	0	108.9	F72 T76 L619 A621 V632 A635 V649	F72-L647 HydrophobicContact CB-CD2 3.65Å; F72-L647 HydrophobicContact CD1-CB 3.91Å; F72-L647 HydrophobicContact CE1-CB 4.24Å; F72-L647 HydrophobicContact CG-CB 4.11Å; F72-L647 HydrophobicContact CG-CD2 4.04Å; T76-L647 HydrophobicContact CG2-CB 4.29Å; T76-L647 HydrophobicContact CG2-CD2 4.44Å; T76-L647 HydrophobicContact CG2-CG 4.21Å; T76-L647 VanDerWaalsContact CG2-O 3.24Å; T76-L647 WeakPolarHBondContact CG2-O 3.3Å; L619-L647 HydrophobicContact CB-CD1 3.61Å; L619-L647 HydrophobicContact CD1-CD1 4.38Å; L619-L647 CarbonylContact O-C 3.48Å; L619-L647 WeakPolarHBondContact O-CA 3.43Å; A621-L647 HydrophobicContact CB-CD1 3.98Å; V632-L647 HydrophobicContact CB-CD2 4.48Å; V632-L647 HydrophobicContact CG2-CD2 3.91Å; A635-L647 HydrophobicContact CB-CB 4.14Å; A635-L647 HydrophobicContact CB-CD2 4.26Å; L647-V649 HydrophobicContact CD2-CG2 4.11Å; L647-V649 HydrophobicContact CG-CG2 4.09Å
648	T	98.1	Very high	94	Very high	24 Å²	24	34.1 Å²	34.1	15%	0.147	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.3	162.4	-57.6	0	0	0	0	107.8	L619 V620 A621 V650 I673 R677	L619-T648 PolarHBondContact O-N 3.32Å; V620-T648 CarbonylContact C-O 3.59Å; V620-T648 WeakPolarHBondContact CA-O 3.36Å; A621-T648 PolarHBondContact N-O 2.92Å; T648-V650 HydrophobicContact CG2-CG1 4.47Å; T648-I673 HydrophobicContact CG2-CD1 4.26Å; T648-I673 HydrophobicContact CG2-CG2 4.01Å; T648-R677 PolarHBondContact OG1-NH2 3.27Å
649	V	97.4	Very high	93.3	Very high	21 Å²	21	35.8 Å²	35.8	13%	0.127	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.7	172	-176.8	0	0	0	0	108.1	T76 A621 A623 L628 L647	T76-V649 HydrophobicContact CG2-CG2 4.3Å; A621-V649 CarbonylContact O-C 3.59Å; A621-V649 WeakPolarHBondContact O-CA 3.28Å; A623-V649 HydrophobicContact CB-CG1 4.05Å; L628-V649 HydrophobicContact CD1-CG1 3.91Å; L628-V649 HydrophobicContact CD1-CG2 4.06Å; L647-V649 HydrophobicContact CD2-CG2 4.11Å; L647-V649 HydrophobicContact CG-CG2 4.09Å
650	V	95.1	Very high	92.5	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.5	176.1	-60.8	0	0	0	0	110.5	V620 A621 A623 T648 L653 F657 A670 I673	V620-V650 HydrophobicContact CG1-CG1 4.05Å; A621-V650 WeakPolarHBondContact O-CG2 3.35Å; A621-V650 PolarHBondContact O-N 2.87Å; A623-V650 WeakPolarHBondContact CB-O 3.47Å; A623-V650 PolarHBondContact N-O 3.17Å; T648-V650 HydrophobicContact CG2-CG1 4.47Å; V650-L653 HydrophobicContact CB-CD1 4.32Å; V650-L653 HydrophobicContact CG2-CB 4.33Å; V650-L653 HydrophobicContact CG2-CD1 3.91Å; V650-F657 HydrophobicContact CG2-CD1 3.92Å; V650-F657 HydrophobicContact CG2-CE1 3.55Å; V650-F657 HydrophobicContact CG2-CZ 4.21Å; V650-A670 HydrophobicContact CB-CB 4.36Å; V650-A670 HydrophobicContact CG1-CB 3.99Å; V650-A670 HydrophobicContact CG2-CB 4.26Å; V650-I673 HydrophobicContact CG1-CD1 3.87Å
651	D	90.4	Very high	91.9	Very high	92 Å²	92	27.3 Å²	27.3	49%	0.492	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	148.9	-177.2	-83.7	-57	0	0	0	113.1	K86 L653	K86-D651 VanDerWaalsContact NZ-CG 3.34Å; K86-D651 IonicContact NZ-OD1 2.65Å; K86-D651 PolarHBondContact NZ-OD1 3.09Å; D651-L653 WeakPolarHBondContact O-CG 3.38Å; D651-L653 PolarHBondContact O-N 2.77Å; D651-L653 VanDerWaalsContact O-N 3.08Å
652	D	84.5	Confident	91.1	Very high	56 Å²	56	28.1 Å²	28.1	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61	18.3	165.4	-54.6	-29.4	0	0	0	116.4	K86	K86-D652 WeakPolarHBondContact CE-OD1 3.44Å; K86-D652 IonicContact NZ-OD1 3.99Å; K86-D652 PolarHBondContact NZ-OD1 3.2Å; K86-D652 IonicContact NZ-OD2 3.57Å
653	L	89.3	Confident	90.2	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	147	178.1	-62.9	-176.9	0	0	0	112	L186 S622 L624 V650 D651 F657 E666 T667 A670	L186-L653 HydrophobicContact CD1-CD2 3.71Å; S622-L653 VanDerWaalsContact OG-C 3.29Å; S622-L653 PolarHBondContact OG-O 3.09Å; L624-L653 WeakPolarHBondContact CB-O 3.16Å; V650-L653 HydrophobicContact CB-CD1 4.32Å; V650-L653 HydrophobicContact CG2-CB 4.33Å; V650-L653 HydrophobicContact CG2-CD1 3.91Å; D651-L653 WeakPolarHBondContact O-CG 3.38Å; D651-L653 PolarHBondContact O-N 2.77Å; D651-L653 VanDerWaalsContact O-N 3.08Å; L653-F657 HydrophobicContact CB-CB 4.12Å; L653-F657 HydrophobicContact CB-CD1 4.39Å; L653-F657 HydrophobicContact CD1-CB 4.1Å; L653-F657 HydrophobicContact CD1-CD1 4.39Å; L653-F657 HydrophobicContact CD1-CG 4.15Å; L653-E666 HydrophobicContact CD2-CB 3.85Å; L653-T667 HydrophobicContact CD1-CG2 4.41Å; L653-T667 HydrophobicContact CD2-CG2 3.63Å; L653-A670 HydrophobicContact CD1-CB 3.45Å; L653-A670 VanDerWaalsContact CD1-CB 3.45Å
654	P	89.8	Confident	89.5	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	173.5	175.2	34.9	-37	0	0	0	112	F182 L483 L660	F182-P654 HydrophobicContact CD1-CB 4.26Å; F182-P654 HydrophobicContact CE1-CB 3.54Å; F182-P654 HydrophobicContact CE1-CG 4.29Å; F182-P654 HydrophobicContact CZ-CB 3.85Å; L483-P654 HydrophobicContact CD1-CB 3.85Å; L483-P654 HydrophobicContact CD1-CG 3.99Å; P654-L660 HydrophobicContact CG-CD1 3.96Å
655	H	91	Very high	89.1	Confident	18 Å²	18	33.4 Å²	33.4	8%	0.083	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	145.1	161.2	-168.6	75.8	0	0	0	110.9	S434 Y462 L483 L484 D625 L627	S434-H655 WeakPolarHBondContact CB-NE2 3.41Å; S434-H655 PolarHBondContact OG-CE1 3Å; S434-H655 VanDerWaalsContact OG-CE1 3.27Å; S434-H655 PolarHBondContact OG-NE2 3.11Å; Y462-H655 AromaticContact CD2-CE1 3.5Å; Y462-H655 VanDerWaalsContact CD2-CE1 3.5Å; Y462-H655 WeakPolarHBondContact CD2-CE1 3.44Å; Y462-H655 AromaticContact CD2-ND1 3.85Å; L483-H655 VanDerWaalsContact CD1-O 3.25Å; L483-H655 WeakPolarHBondContact CD1-O 3.27Å; L484-H655 HydrophobicContact CB-CB 4.48Å; D625-H655 VanDerWaalsContact CG-ND1 3.31Å; D625-H655 IonicContact OD1-CG 2.71Å; D625-H655 IonicContact OD1-ND1 2.73Å; D625-H655 PolarHBondContact OD1-ND1 2.87Å; D625-H655 IonicContact OD2-CE1 2.93Å; D625-H655 IonicContact OD2-CG 3.94Å; D625-H655 IonicContact OD2-ND1 2.93Å; D625-H655 PolarHBondContact OD2-ND1 2.7Å; L627-H655 WeakPolarHBondContact CD1-CE1 3.41Å
656	G	88.4	Confident	88.8	Confident	15 Å²	15	35.8 Å²	35.8	16%	0.155	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	21.9	178.3	0	0	0	0	0	115	Y462 L658 S659	Y462-G656 WeakPolarHBondContact OH-CA 3.22Å; G656-L658 PolarHBondContact O-N 3.06Å; G656-L658 VanDerWaalsContact O-N 3.08Å; G656-S659 PolarHBondContact O-N 3.46Å
657	F	90	Very high	88.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-58.3	-23.7	-175.8	66.8	-114.7	0	0	0	114.7	A461 Y462 V620 V650 L653 S659 L660 A661 T667 A670	A461-F657 HydrophobicContact CB-CZ 4.47Å; Y462-F657 AromaticContact CD1-CD1 3.49Å; Y462-F657 HydrophobicContact CD1-CD1 3.49Å; Y462-F657 VanDerWaalsContact CD1-CD1 3.49Å; Y462-F657 AromaticContact CD1-CE1 3.21Å; Y462-F657 HydrophobicContact CD1-CE1 3.21Å; Y462-F657 HydrophobicContact CD1-CE2 4.47Å; Y462-F657 HydrophobicContact CD1-CG 4.26Å; Y462-F657 AromaticContact CD1-CZ 3.72Å; Y462-F657 HydrophobicContact CD1-CZ 3.72Å; Y462-F657 AromaticContact CE1-CD1 3.39Å; Y462-F657 HydrophobicContact CE1-CD1 3.39Å; Y462-F657 AromaticContact CE1-CD2 3.94Å; Y462-F657 HydrophobicContact CE1-CD2 3.94Å; Y462-F657 AromaticContact CE1-CE1 3.36Å; Y462-F657 HydrophobicContact CE1-CE1 3.36Å; Y462-F657 AromaticContact CE1-CE2 3.86Å; Y462-F657 HydrophobicContact CE1-CE2 3.86Å; Y462-F657 AromaticContact CE1-CG 3.68Å; Y462-F657 HydrophobicContact CE1-CG 3.68Å; Y462-F657 AromaticContact CE1-CZ 3.55Å; Y462-F657 HydrophobicContact CE1-CZ 3.55Å; V620-F657 HydrophobicContact CG1-CZ 3.81Å; V650-F657 HydrophobicContact CG2-CD1 3.92Å; V650-F657 HydrophobicContact CG2-CE1 3.55Å; V650-F657 HydrophobicContact CG2-CZ 4.21Å; L653-F657 HydrophobicContact CB-CB 4.12Å; L653-F657 HydrophobicContact CB-CD1 4.39Å; L653-F657 HydrophobicContact CD1-CB 4.1Å; L653-F657 HydrophobicContact CD1-CD1 4.39Å; L653-F657 HydrophobicContact CD1-CG 4.15Å; F657-S659 VanDerWaalsContact C-N 3.34Å; F657-S659 PolarHBondContact O-N 3.21Å; F657-L660 CarbonylContact O-C 3.37Å; F657-L660 WeakPolarHBondContact O-CA 3.36Å; F657-L660 WeakPolarHBondContact O-CB 3.26Å; F657-L660 PolarHBondContact O-N 2.72Å; F657-A661 PolarHBondContact O-N 3.24Å; F657-T667 HydrophobicContact CB-CG2 4.31Å; F657-A670 HydrophobicContact CD2-CB 3.56Å; F657-A670 HydrophobicContact CE1-CB 4.49Å; F657-A670 HydrophobicContact CE2-CB 3.49Å; F657-A670 VanDerWaalsContact CE2-CB 3.49Å; F657-A670 HydrophobicContact CG-CB 4.2Å; F657-A670 HydrophobicContact CZ-CB 4.01Å
658	L	89.9	Confident	88	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-65.9	-38.6	179.8	-70.6	177.7	0	0	0	112.1	Y375 W379 D433 A461 Y462 G656 L660 A661 C674	Y375-L658 HydrophobicContact CD1-CB 3.98Å; Y375-L658 HydrophobicContact CE1-CB 4.01Å; Y375-L658 HydrophobicContact CE2-CD1 4.48Å; Y375-L658 HydrophobicContact CG-CB 4.37Å; W379-L658 HydrophobicContact CH2-CD1 3.79Å; W379-L658 HydrophobicContact CH2-CD2 4.46Å; W379-L658 HydrophobicContact CZ2-CD1 3.92Å; W379-L658 HydrophobicContact CZ2-CD2 3.75Å; W379-L658 HydrophobicContact CZ2-CG 4.46Å; D433-L658 HydrophobicContact CB-CD1 3.99Å; A461-L658 HydrophobicContact CB-CD1 3.55Å; A461-L658 HydrophobicContact CB-CG 4.28Å; Y462-L658 HydrophobicContact CE1-CG 4.22Å; Y462-L658 VanDerWaalsContact OH-CB 3.25Å; Y462-L658 WeakPolarHBondContact OH-CB 3.42Å; Y462-L658 WeakPolarHBondContact OH-CG 3.34Å; Y462-L658 PolarHBondContact OH-N 3.46Å; G656-L658 PolarHBondContact O-N 3.06Å; G656-L658 VanDerWaalsContact O-N 3.08Å; L658-L660 PolarHBondContact O-N 2.86Å; L658-L660 VanDerWaalsContact O-N 3.08Å; L658-A661 WeakPolarHBondContact O-CB 3.29Å; L658-A661 PolarHBondContact O-N 2.73Å; L658-C674 HydrophobicContact CD2-CB 4.48Å
659	S	83.4	Confident	87.8	Confident	35 Å²	35	42 Å²	42	25%	0.245	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-63.2	-16.5	174.3	-59.3	0	0	0	0	112.2	N374 G656 F657	N374-S659 PolarHBondContact ND2-O 3.4Å; N374-S659 VanDerWaalsContact ND2-O 3.07Å; G656-S659 PolarHBondContact O-N 3.46Å; F657-S659 VanDerWaalsContact C-N 3.34Å; F657-S659 PolarHBondContact O-N 3.21Å
660	L	81.7	Confident	87.7	Confident	10 Å²	10	41 Å²	41	5%	0.052	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-102.4	4	179.9	-46.5	-172.4	0	0	0	112.8	L186 F189 P654 F657 L658 Q662 I663 T667	L186-L660 HydrophobicContact CD2-CD1 4.31Å; F189-L660 HydrophobicContact CD1-CD1 4.23Å; F189-L660 HydrophobicContact CD1-CD2 4.11Å; F189-L660 HydrophobicContact CE1-CD1 3.85Å; F189-L660 HydrophobicContact CE1-CD2 3.18Å; F189-L660 HydrophobicContact CE1-CG 4.15Å; F189-L660 HydrophobicContact CE2-CD2 4.28Å; F189-L660 HydrophobicContact CZ-CD2 3.26Å; P654-L660 HydrophobicContact CG-CD1 3.96Å; F657-L660 CarbonylContact O-C 3.37Å; F657-L660 WeakPolarHBondContact O-CA 3.36Å; F657-L660 WeakPolarHBondContact O-CB 3.26Å; F657-L660 PolarHBondContact O-N 2.72Å; L658-L660 PolarHBondContact O-N 2.86Å; L658-L660 VanDerWaalsContact O-N 3.08Å; L660-Q662 PolarHBondContact O-N 3.5Å; L660-I663 HydrophobicContact CB-CD1 4.02Å; L660-I663 HydrophobicContact CB-CG1 4.44Å; L660-I663 HydrophobicContact CD2-CD1 3.75Å; L660-I663 HydrophobicContact CG-CD1 4.43Å; L660-I663 WeakPolarHBondContact O-CB 3.35Å; L660-I663 PolarHBondContact O-N 3.46Å; L660-T667 HydrophobicContact CB-CG2 3.75Å; L660-T667 WeakPolarHBondContact O-CB 3.47Å; L660-T667 PolarHBondContact O-OG1 3.07Å
661	A	82.9	Confident	87.7	Confident	8 Å²	8	40.8 Å²	40.8	7%	0.066	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.7	-170.7	0	0	0	0	0	114.6	F657 L658 Q668	F657-A661 PolarHBondContact O-N 3.24Å; L658-A661 WeakPolarHBondContact O-CB 3.29Å; L658-A661 PolarHBondContact O-N 2.73Å; A661-Q668 WeakPolarHBondContact O-CA 3.36Å; A661-Q668 WeakPolarHBondContact O-CB 3.5Å
662	Q	78.2	Confident	88	Confident	69 Å²	69	39.2 Å²	39.2	32%	0.322	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.2	177.8	-63.2	-177.5	-3.5	0	0	113.8	T263 N374 L660	T263-Q662 PolarHBondContact O-OE1 2.97Å; N374-Q662 PolarHBondContact O-NE2 3.43Å; L660-Q662 PolarHBondContact O-N 3.5Å
663	I	76.6	Confident	88.6	Confident	74 Å²	74	37.9 Å²	37.9	38%	0.379	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-46	-173.4	-57.9	-176.2	0	0	0	111.5	F189 L660	F189-I663 HydrophobicContact CB-CG2 4.43Å; F189-I663 HydrophobicContact CD1-CD1 4.11Å; F189-I663 HydrophobicContact CD2-CD1 3.46Å; F189-I663 VanDerWaalsContact CD2-CD1 3.46Å; F189-I663 HydrophobicContact CE1-CD1 4.12Å; F189-I663 HydrophobicContact CE2-CD1 3.45Å; F189-I663 VanDerWaalsContact CE2-CD1 3.45Å; F189-I663 HydrophobicContact CG-CD1 3.77Å; F189-I663 HydrophobicContact CZ-CD1 3.78Å; L660-I663 HydrophobicContact CB-CD1 4.02Å; L660-I663 HydrophobicContact CB-CG1 4.44Å; L660-I663 HydrophobicContact CD2-CD1 3.75Å; L660-I663 HydrophobicContact CG-CD1 4.43Å; L660-I663 WeakPolarHBondContact O-CB 3.35Å; L660-I663 PolarHBondContact O-N 3.46Å
664	C	81.1	Confident	89	Confident	16 Å²	16	37.8 Å²	37.8	11%	0.108	19%	0.188	C	C	.	.			trans	-142.6	167.8	179.8	73.9	0	0	0	0	112.4	A185 E666 T667 Q668	A185-C664 HydrophobicContact CB-CB 3.81Å; C664-E666 VanDerWaalsContact C-N 3.28Å; C664-E666 WeakPolarHBondContact CB-OE2 3.44Å; C664-E666 PolarHBondContact O-N 3.38Å; C664-E666 PolarHBondContact SG-OE2 3.32Å; C664-T667 PolarHBondContact O-OG1 3.41Å; C664-T667 PolarHBondContact SG-OG1 3.31Å; C664-Q668 PolarHBondContact O-N 2.83Å; C664-Q668 VanDerWaalsContact O-N 3.11Å
665	K	89.3	Confident	89.4	Confident	173 Å²	173	37.8 Å²	37.8	75%	0.752	19%	0.188	S	C	*	.	H	α-helix	trans	-69.4	-30.3	-175.5	-67.2	-176.8	178.5	-179.1	0	112	F669	K665-F669 VanDerWaalsContact O-CB 3.28Å; K665-F669 WeakPolarHBondContact O-CB 3.42Å; K665-F669 PolarHBondContact O-N 3.43Å
666	E	90.3	Very high	89.7	Confident	74 Å²	74	39.4 Å²	39.4	35%	0.346	20%	0.201	S	C	.	.	H	α-helix	trans	-68.5	-44.7	-179.1	-60.2	92.3	146.8	0	0	111.1	S183 L653 C664 F669 A670	S183-E666 PolarHBondContact OG-OE1 2.95Å; L653-E666 HydrophobicContact CD2-CB 3.85Å; C664-E666 VanDerWaalsContact C-N 3.28Å; C664-E666 WeakPolarHBondContact CB-OE2 3.44Å; C664-E666 PolarHBondContact O-N 3.38Å; C664-E666 PolarHBondContact SG-OE2 3.32Å; E666-F669 PolarHBondContact O-N 2.64Å; E666-A670 PolarHBondContact O-N 2.89Å
667	T	89.1	Confident	90.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.7	-35	175.3	53.5	0	0	0	0	111.8	L186 L653 F657 L660 C664 A670 S671	L186-T667 HydrophobicContact CD1-CG2 4.47Å; L186-T667 HydrophobicContact CD2-CG2 3.98Å; L653-T667 HydrophobicContact CD1-CG2 4.41Å; L653-T667 HydrophobicContact CD2-CG2 3.63Å; F657-T667 HydrophobicContact CB-CG2 4.31Å; L660-T667 HydrophobicContact CB-CG2 3.75Å; L660-T667 WeakPolarHBondContact O-CB 3.47Å; L660-T667 PolarHBondContact O-OG1 3.07Å; C664-T667 PolarHBondContact O-OG1 3.41Å; C664-T667 PolarHBondContact SG-OG1 3.31Å; T667-A670 PolarHBondContact O-N 3.11Å; T667-S671 PolarHBondContact O-N 3.01Å
668	Q	91.1	Very high	90.6	Very high	93 Å²	93	41.9 Å²	41.9	44%	0.435	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-49.2	170.9	-171.7	176	19	0	0	111.2	A661 C664 A670 S671 D672	A661-Q668 WeakPolarHBondContact O-CA 3.36Å; A661-Q668 WeakPolarHBondContact O-CB 3.5Å; C664-Q668 PolarHBondContact O-N 2.83Å; C664-Q668 VanDerWaalsContact O-N 3.11Å; Q668-A670 VanDerWaalsContact C-N 3.28Å; Q668-A670 PolarHBondContact O-N 3.16Å; Q668-S671 CarbonylContact O-C 3.56Å; Q668-S671 WeakPolarHBondContact O-CA 3.23Å; Q668-S671 WeakPolarHBondContact O-CB 3.42Å; Q668-S671 PolarHBondContact O-N 3.05Å; Q668-D672 VanDerWaalsContact O-CG 3.24Å; Q668-D672 PolarHBondContact O-N 2.94Å
669	F	94.3	Very high	90.9	Very high	117 Å²	117	45.9 Å²	45.9	51%	0.513	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-39.8	177.8	176.2	-103.8	0	0	0	112.2	K665 E666 D672 I673	K665-F669 VanDerWaalsContact O-CB 3.28Å; K665-F669 WeakPolarHBondContact O-CB 3.42Å; K665-F669 PolarHBondContact O-N 3.43Å; E666-F669 PolarHBondContact O-N 2.64Å; F669-D672 PolarHBondContact O-N 3.43Å; F669-I673 HydrophobicContact CD1-CD1 3.99Å; F669-I673 HydrophobicContact CE1-CD1 3.55Å; F669-I673 HydrophobicContact CE1-CG1 4.38Å; F669-I673 HydrophobicContact CZ-CD1 3.97Å; F669-I673 HydrophobicContact CZ-CG1 4.41Å; F669-I673 WeakPolarHBondContact O-CG1 3.34Å; F669-I673 PolarHBondContact O-N 3.03Å
670	A	94.7	Very high	91.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-38.7	174.1	0	0	0	0	0	112.6	V650 L653 F657 E666 T667 Q668 I673 C674	V650-A670 HydrophobicContact CB-CB 4.36Å; V650-A670 HydrophobicContact CG1-CB 3.99Å; V650-A670 HydrophobicContact CG2-CB 4.26Å; L653-A670 HydrophobicContact CD1-CB 3.45Å; L653-A670 VanDerWaalsContact CD1-CB 3.45Å; F657-A670 HydrophobicContact CD2-CB 3.56Å; F657-A670 HydrophobicContact CE1-CB 4.49Å; F657-A670 HydrophobicContact CE2-CB 3.49Å; F657-A670 VanDerWaalsContact CE2-CB 3.49Å; F657-A670 HydrophobicContact CG-CB 4.2Å; F657-A670 HydrophobicContact CZ-CB 4.01Å; E666-A670 PolarHBondContact O-N 2.89Å; T667-A670 PolarHBondContact O-N 3.11Å; Q668-A670 VanDerWaalsContact C-N 3.28Å; Q668-A670 PolarHBondContact O-N 3.16Å; A670-I673 WeakPolarHBondContact O-CB 3.28Å; A670-I673 PolarHBondContact O-N 3.31Å; A670-C674 PolarHBondContact O-N 2.96Å; A670-C674 PolarHBondContact O-SG 3.44Å
671	S	95.8	Very high	92.2	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-41.6	170.1	168.2	0	0	0	0	112	W379 T667 Q668 I673 C674 V675	W379-S671 PolarHBondContact NE1-OG 3.18Å; T667-S671 PolarHBondContact O-N 3.01Å; Q668-S671 CarbonylContact O-C 3.56Å; Q668-S671 WeakPolarHBondContact O-CA 3.23Å; Q668-S671 WeakPolarHBondContact O-CB 3.42Å; Q668-S671 PolarHBondContact O-N 3.05Å; S671-I673 VanDerWaalsContact C-N 3.26Å; S671-I673 PolarHBondContact O-N 3.01Å; S671-C674 WeakPolarHBondContact O-CA 3.36Å; S671-C674 VanDerWaalsContact O-CB 3.31Å; S671-C674 WeakPolarHBondContact O-CB 3.44Å; S671-C674 PolarHBondContact O-N 2.9Å; S671-V675 WeakPolarHBondContact O-CG2 3.25Å; S671-V675 PolarHBondContact O-N 3.16Å
672	D	96.5	Very high	92.8	Very high	59 Å²	59	46.6 Å²	46.6	32%	0.316	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-34.1	179	-61.4	-15.8	0	0	0	111.6	Q668 F669 V675 S676	Q668-D672 VanDerWaalsContact O-CG 3.24Å; Q668-D672 PolarHBondContact O-N 2.94Å; F669-D672 PolarHBondContact O-N 3.43Å; D672-V675 PolarHBondContact O-N 2.63Å; D672-S676 WeakPolarHBondContact O-CB 3.38Å; D672-S676 PolarHBondContact O-N 3.2Å
673	I	97.6	Very high	93.3	Very high	29 Å²	29	48 Å²	48	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-47.7	170.5	-69.1	166.7	0	0	0	110.2	V620 T648 V650 F669 A670 S671 V675 S676 R677	V620-I673 HydrophobicContact CG1-CG2 4.13Å; V620-I673 HydrophobicContact CG2-CG2 4.05Å; T648-I673 HydrophobicContact CG2-CD1 4.26Å; T648-I673 HydrophobicContact CG2-CG2 4.01Å; V650-I673 HydrophobicContact CG1-CD1 3.87Å; F669-I673 HydrophobicContact CD1-CD1 3.99Å; F669-I673 HydrophobicContact CE1-CD1 3.55Å; F669-I673 HydrophobicContact CE1-CG1 4.38Å; F669-I673 HydrophobicContact CZ-CD1 3.97Å; F669-I673 HydrophobicContact CZ-CG1 4.41Å; F669-I673 WeakPolarHBondContact O-CG1 3.34Å; F669-I673 PolarHBondContact O-N 3.03Å; A670-I673 WeakPolarHBondContact O-CB 3.28Å; A670-I673 PolarHBondContact O-N 3.31Å; S671-I673 VanDerWaalsContact C-N 3.26Å; S671-I673 PolarHBondContact O-N 3.01Å; I673-V675 VanDerWaalsContact C-N 3.35Å; I673-V675 PolarHBondContact O-N 3.46Å; I673-S676 WeakPolarHBondContact O-CB 3.33Å; I673-S676 PolarHBondContact O-N 2.8Å; I673-S676 VanDerWaalsContact O-N 3.17Å; I673-R677 WeakPolarHBondContact O-CG 3.41Å; I673-R677 PolarHBondContact O-N 3.29Å
674	C	98.1	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-46	176.2	-64.7	0	0	0	0	111.6	W379 M459 L658 A670 S671 S676 R677 I678	W379-C674 HydrophobicContact CH2-CB 4.25Å; W379-C674 HydrophobicContact CZ2-CB 3.8Å; M459-C674 HydrophobicContact CE-CB 3.9Å; M459-C674 HydrophobicContact SD-CB 3.75Å; L658-C674 HydrophobicContact CD2-CB 4.48Å; A670-C674 PolarHBondContact O-N 2.96Å; A670-C674 PolarHBondContact O-SG 3.44Å; S671-C674 WeakPolarHBondContact O-CA 3.36Å; S671-C674 VanDerWaalsContact O-CB 3.31Å; S671-C674 WeakPolarHBondContact O-CB 3.44Å; S671-C674 PolarHBondContact O-N 2.9Å; C674-S676 VanDerWaalsContact C-N 3.31Å; C674-S676 PolarHBondContact O-N 3.05Å; C674-R677 PolarHBondContact O-N 3.28Å; C674-I678 WeakPolarHBondContact O-CG1 3.3Å; C674-I678 PolarHBondContact O-N 3.21Å
675	V	97.8	Very high	92	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-41.8	175.4	174.6	0	0	0	0	111.4	W379 E382 L383 S671 D672 I673 R677 I678 R679	W379-V675 HydrophobicContact CD2-CG2 4.27Å; W379-V675 HydrophobicContact CG-CG2 3.79Å; E382-V675 HydrophobicContact CB-CG1 4.34Å; L383-V675 HydrophobicContact CD1-CG1 4.45Å; L383-V675 HydrophobicContact CD2-CG1 3.76Å; L383-V675 HydrophobicContact CG-CG1 3.96Å; S671-V675 WeakPolarHBondContact O-CG2 3.25Å; S671-V675 PolarHBondContact O-N 3.16Å; D672-V675 PolarHBondContact O-N 2.63Å; I673-V675 VanDerWaalsContact C-N 3.35Å; I673-V675 PolarHBondContact O-N 3.46Å; V675-R677 VanDerWaalsContact C-N 3.34Å; V675-R677 PolarHBondContact O-N 3.18Å; V675-I678 PolarHBondContact O-N 2.73Å; V675-R679 WeakPolarHBondContact O-CB 3.29Å; V675-R679 PolarHBondContact O-N 2.9Å
676	S	97.8	Very high	90	Very high	52 Å²	52	50.1 Å²	50.1	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-42.5	176.3	-172.1	0	0	0	0	111.7	D672 I673 C674 R679 T680	D672-S676 WeakPolarHBondContact O-CB 3.38Å; D672-S676 PolarHBondContact O-N 3.2Å; I673-S676 WeakPolarHBondContact O-CB 3.33Å; I673-S676 PolarHBondContact O-N 2.8Å; I673-S676 VanDerWaalsContact O-N 3.17Å; C674-S676 VanDerWaalsContact C-N 3.31Å; C674-S676 PolarHBondContact O-N 3.05Å; S676-R679 WeakPolarHBondContact O-CB 3.41Å; S676-R679 PolarHBondContact O-N 3.47Å; S676-T680 PolarHBondContact O-N 3.44Å
677	R	97.5	Very high	87.6	Confident	67 Å²	67	56.2 Å²	56.2	25%	0.253	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-40	174.7	-64.2	-57.7	-179.4	-136.9	1.4	112.8	M459 H618 V620 T648 I673 C674 V675 R679 T680 V681	M459-R677 HydrophobicContact CG-CB 3.92Å; H618-R677 HydrophobicContact CB-CB 3.79Å; H618-R677 HydrophobicContact CB-CG 4Å; V620-R677 HydrophobicContact CG2-CG 4.35Å; T648-R677 PolarHBondContact OG1-NH2 3.27Å; I673-R677 WeakPolarHBondContact O-CG 3.41Å; I673-R677 PolarHBondContact O-N 3.29Å; C674-R677 PolarHBondContact O-N 3.28Å; V675-R677 VanDerWaalsContact C-N 3.34Å; V675-R677 PolarHBondContact O-N 3.18Å; R677-R679 VanDerWaalsContact C-N 3.3Å; R677-R679 PolarHBondContact O-N 3.26Å; R677-T680 WeakPolarHBondContact CA-OG1 3.36Å; R677-T680 PolarHBondContact O-N 3.15Å; R677-T680 PolarHBondContact O-OG1 3.04Å; R677-V681 PolarHBondContact O-N 3.14Å
678	I	98.3	Very high	85	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-43.1	172.8	-65.7	162.8	0	0	0	110.2	L356 W379 L383 C429 A431 M459 C674 V675 T680 V681 F682	L356-I678 HydrophobicContact CD1-CD1 4.25Å; L356-I678 HydrophobicContact CD1-CG1 4.38Å; L356-I678 HydrophobicContact CD1-CG2 3.97Å; L356-I678 HydrophobicContact CD2-CD1 4.18Å; W379-I678 HydrophobicContact CD2-CD1 4.23Å; W379-I678 HydrophobicContact CE3-CD1 3.71Å; W379-I678 HydrophobicContact CH2-CD1 4.38Å; W379-I678 HydrophobicContact CZ3-CD1 3.81Å; L383-I678 HydrophobicContact CD1-CB 4.08Å; L383-I678 HydrophobicContact CD1-CD1 4.3Å; L383-I678 HydrophobicContact CD1-CG2 3.5Å; L383-I678 HydrophobicContact CD2-CG2 4.35Å; C429-I678 HydrophobicContact CB-CG2 4.35Å; A431-I678 HydrophobicContact CB-CD1 4.39Å; M459-I678 HydrophobicContact CB-CG1 3.79Å; M459-I678 HydrophobicContact CE-CD1 3.69Å; M459-I678 HydrophobicContact CE-CG1 4.05Å; M459-I678 HydrophobicContact CG-CG1 3.94Å; C674-I678 WeakPolarHBondContact O-CG1 3.3Å; C674-I678 PolarHBondContact O-N 3.21Å; V675-I678 PolarHBondContact O-N 2.73Å; I678-T680 VanDerWaalsContact C-N 3.29Å; I678-T680 PolarHBondContact O-N 3Å; I678-V681 WeakPolarHBondContact O-CB 3.06Å; I678-V681 PolarHBondContact O-N 3.28Å; I678-V681 VanDerWaalsContact O-N 3.08Å; I678-F682 HydrophobicContact CG2-CD2 3.88Å; I678-F682 HydrophobicContact CG2-CE2 3.33Å; I678-F682 HydrophobicContact CG2-CZ 3.92Å; I678-F682 PolarHBondContact O-N 2.79Å
679	R	97.1	Very high	84.7	Confident	84 Å²	84	64.9 Å²	64.9	32%	0.317	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-37.1	178.7	-169.6	178.4	-69	116.5	-1.1	112.1	L383 V675 S676 R677 V681 F682 Q683	L383-R679 HydrophobicContact CD2-CB 4.01Å; V675-R679 WeakPolarHBondContact O-CB 3.29Å; V675-R679 PolarHBondContact O-N 2.9Å; S676-R679 WeakPolarHBondContact O-CB 3.41Å; S676-R679 PolarHBondContact O-N 3.47Å; R677-R679 VanDerWaalsContact C-N 3.3Å; R677-R679 PolarHBondContact O-N 3.26Å; R679-V681 VanDerWaalsContact C-N 3.28Å; R679-V681 PolarHBondContact O-N 2.58Å; R679-F682 PolarHBondContact O-N 2.71Å; R679-Q683 HydrophobicContact CG-CG 4.38Å; R679-Q683 WeakPolarHBondContact O-CG 3.46Å; R679-Q683 PolarHBondContact O-N 2.84Å
680	T	95.7	Very high	84.2	Confident	59 Å²	59	62.2 Å²	62.2	36%	0.362	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-29.6	175.8	51.6	0	0	0	0	113.3	S676 R677 I678	S676-T680 PolarHBondContact O-N 3.44Å; R677-T680 WeakPolarHBondContact CA-OG1 3.36Å; R677-T680 PolarHBondContact O-N 3.15Å; R677-T680 PolarHBondContact O-OG1 3.04Å; I678-T680 VanDerWaalsContact C-N 3.29Å; I678-T680 PolarHBondContact O-N 3Å
681	V	96.7	Very high	83.6	Confident	7 Å²	7	65.6 Å²	65.6	4%	0.042	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-40.2	173.8	176.1	0	0	0	0	111	R427 C429 D456 R677 I678 R679	R427-V681 PolarHBondContact NH1-O 3.11Å; C429-V681 HydrophobicContact CB-CB 4.33Å; C429-V681 HydrophobicContact CB-CG1 3.91Å; D456-V681 HydrophobicContact CB-CG1 3.94Å; R677-V681 PolarHBondContact O-N 3.14Å; I678-V681 WeakPolarHBondContact O-CB 3.06Å; I678-V681 PolarHBondContact O-N 3.28Å; I678-V681 VanDerWaalsContact O-N 3.08Å; R679-V681 VanDerWaalsContact C-N 3.28Å; R679-V681 PolarHBondContact O-N 2.58Å
682	F	95.6	Very high	82.9	Confident	1 Å²	1	69.3 Å²	69.3	0%	0.004	38%	0.383	C	S	.	.	H	α-helix	trans	-78.9	-22.7	-177.1	-66.4	-32.3	0	0	0	114.5	W354 L356 L383 V385 R427 C429 I678 R679	W354-F682 HydrophobicContact CB-CD1 3.66Å; W354-F682 HydrophobicContact CB-CD2 4.17Å; W354-F682 HydrophobicContact CB-CE1 3.73Å; W354-F682 HydrophobicContact CB-CE2 4.22Å; W354-F682 HydrophobicContact CB-CG 3.9Å; W354-F682 HydrophobicContact CB-CZ 4.02Å; W354-F682 HydrophobicContact CD2-CB 3.53Å; W354-F682 HydrophobicContact CD2-CD1 4.26Å; W354-F682 HydrophobicContact CD2-CD2 4.08Å; W354-F682 AromaticContact CD2-CG 3.72Å; W354-F682 HydrophobicContact CD2-CG 3.72Å; W354-F682 HydrophobicContact CE3-CB 3.84Å; W354-F682 AromaticContact CE3-CD2 3.87Å; W354-F682 HydrophobicContact CE3-CD2 3.87Å; W354-F682 AromaticContact CE3-CG 3.97Å; W354-F682 HydrophobicContact CE3-CG 3.97Å; W354-F682 HydrophobicContact CG-CB 3.86Å; W354-F682 AromaticContact CG-CD1 3.71Å; W354-F682 HydrophobicContact CG-CD1 3.71Å; W354-F682 HydrophobicContact CG-CD2 4.22Å; W354-F682 HydrophobicContact CG-CE1 4.3Å; W354-F682 AromaticContact CG-CG 3.67Å; W354-F682 HydrophobicContact CG-CG 3.67Å; W354-F682 HydrophobicContact CH2-CB 4.34Å; W354-F682 HydrophobicContact CZ2-CB 4.06Å; W354-F682 HydrophobicContact CZ3-CB 4.24Å; W354-F682 PolarHBondContact NE1-O 3.16Å; L356-F682 HydrophobicContact CB-CZ 4.36Å; L356-F682 HydrophobicContact CD1-CZ 4.45Å; L383-F682 HydrophobicContact CD1-CE2 4.48Å; V385-F682 HydrophobicContact CB-CE2 4.49Å; V385-F682 HydrophobicContact CG1-CE2 4.19Å; V385-F682 HydrophobicContact CG1-CZ 4.18Å; V385-F682 HydrophobicContact CG2-CD2 4.32Å; V385-F682 HydrophobicContact CG2-CE2 3.96Å; R427-F682 HydrophobicContact CB-CD1 4.07Å; R427-F682 VanDerWaalsContact CD-O 3.28Å; R427-F682 WeakPolarHBondContact CD-O 3.15Å; C429-F682 HydrophobicContact CB-CD1 4.46Å; C429-F682 HydrophobicContact CB-CE1 3.55Å; C429-F682 HydrophobicContact CB-CZ 3.58Å; I678-F682 HydrophobicContact CG2-CD2 3.88Å; I678-F682 HydrophobicContact CG2-CE2 3.33Å; I678-F682 HydrophobicContact CG2-CZ 3.92Å; I678-F682 PolarHBondContact O-N 2.79Å; R679-F682 PolarHBondContact O-N 2.71Å
683	Q	88.3	Confident	82.1	Confident	98 Å²	98	69.9 Å²	69.9	46%	0.458	39%	0.387	S	S	.	.	S	Bend	trans	-83.4	138.5	178.6	-72.3	177.3	-11.7	0	0	111.7	R427 R679	R427-Q683 VanDerWaalsContact NH1-C 3.26Å; R427-Q683 PolarHBondContact NH1-O 3.06Å; R679-Q683 HydrophobicContact CG-CG 4.38Å; R679-Q683 WeakPolarHBondContact O-CG 3.46Å; R679-Q683 PolarHBondContact O-N 2.84Å
684	P	68.9	Low	81	Confident	96 Å²	96	72.7 Å²	72.7	62%	0.623	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-58.8	143.7	172.4	23.7	-30.2	0	0	0	110.9
685	P	61.1	Low	79.8	Confident	99 Å²	99	77.9 Å²	77.9	64%	0.643	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-54.9	142.4	172.4	23.8	-31.5	0	0	0	108.6	Q687	P685-Q687 PolarHBondContact O-N 3.2Å
686	P	47.7	Very low	78.4	Confident	114 Å²	114	83.8 Å²	83.8	74%	0.74	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-53.1	130.8	179	20.5	-30.4	0	0	0	109.2	T688	P686-T688 PolarHBondContact O-N 2.89Å; P686-T688 VanDerWaalsContact O-N 3.09Å
687	Q	39.4	Very low	76.8	Confident	201 Å²	201	86.4 Å²	86.4	94%	0.939	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-56.9	118.5	173.1	-70.5	-179.6	-2.9	0	0	107.1	P685	P685-Q687 PolarHBondContact O-N 3.2Å
688	T	35.8	Very low	75	Confident	211 Å²	211	88.2 Å²	88.2	100%	1.294	49%	0.493	S	S	*	.			trans	-83.5	0	-178.6	26.8	0	0	0	0	111.3	P686	P686-T688 PolarHBondContact O-N 2.89Å; P686-T688 VanDerWaalsContact O-N 3.09Å

Retrieved 688 of 688 residues in 1162.1 ms (Link to these results)

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