A0A087XS18_POEFO Loading...

MAGUK p55 scaffold protein 3

AlphaFold DB , UniProt , Accession A0A087XS18, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 615 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	34.2	Very low	43.4	Very low	240 Å²	240	134.8 Å²	134.8	100%	1.182	79%	0.792	S	S	*	*				0	114	0	-85.4	166.2	154.2	0	0	107.7	E3	M1-E3 PolarHBondContact O-N 3.19Å
2	K	36.7	Very low	44.7	Very low	217 Å²	217	125.8 Å²	125.8	94%	0.943	74%	0.744	S	S	*	*			trans	-78.2	107	170.9	-76.6	179.8	175.3	179.9	0	106.6	A4	K2-A4 PolarHBondContact O-N 3.49Å
3	E	37.7	Very low	46.5	Very low	138 Å²	138	117.1 Å²	117.1	65%	0.645	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-69.4	123.4	168.7	-78.6	179.1	143.4	0	0	108.2	M1 R26	M1-E3 PolarHBondContact O-N 3.19Å; E3-R26 IonicContact OE1-NH2 2.83Å; E3-R26 IonicContact OE2-CZ 3.72Å; E3-R26 VanDerWaalsContact OE2-CZ 3.23Å; E3-R26 IonicContact OE2-NH1 3.23Å; E3-R26 PolarHBondContact OE2-NH1 2.91Å; E3-R26 IonicContact OE2-NH2 2.81Å; E3-R26 PolarHBondContact OE2-NH2 3.19Å
4	A	42.9	Very low	48.5	Very low	96 Å²	96	115.5 Å²	115.5	79%	0.793	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-65.4	131.7	176.9	0	0	0	0	0	109.9	K2	K2-A4 PolarHBondContact O-N 3.49Å
5	M	36.3	Very low	50.4	Low	168 Å²	168	111.7 Å²	111.7	83%	0.828	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-65.4	131.8	169.8	-76.2	-176.9	143.8	0	0	109.6	V7	M5-V7 PolarHBondContact O-N 2.76Å
6	P	46.4	Very low	52	Low	78 Å²	78	111.8 Å²	111.8	51%	0.506	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-67.6	124.9	171.6	26.4	-29.6	0	0	0	109.1	L8	P6-L8 PolarHBondContact O-N 3.36Å
7	V	47.3	Very low	53.5	Low	130 Å²	130	107.4 Å²	107.4	79%	0.788	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-65.5	117.3	174.9	176.5	0	0	0	0	108	M5 T9	M5-V7 PolarHBondContact O-N 2.76Å; V7-T9 PolarHBondContact O-N 2.76Å
8	L	46.6	Very low	54.8	Low	114 Å²	114	103.1 Å²	103.1	60%	0.597	60%	0.597	S	S	*	*			trans	-63.2	106.6	169.5	-72.1	167	0	0	0	108.3	P6 T17 L20	P6-L8 PolarHBondContact O-N 3.36Å; L8-T17 HydrophobicContact CD2-CG2 4.35Å; L8-L20 HydrophobicContact CD2-CD1 4.32Å
9	T	49.4	Very low	55.9	Low	105 Å²	105	100.4 Å²	100.4	64%	0.644	59%	0.587	S	S	*	*			trans	-67.8	134.2	170.8	38.9	0	0	0	0	109.5	V7 G11 A12	V7-T9 PolarHBondContact O-N 2.76Å; T9-G11 PolarHBondContact O-N 2.96Å; T9-A12 PolarHBondContact O-N 3.26Å; T9-A12 VanDerWaalsContact O-N 3.13Å
10	A	48.2	Very low	56.8	Low	122 Å²	122	98.4 Å²	98.4	100%	1.008	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	11.1	-173.5	0	0	0	0	0	116.3
11	G	51.9	Low	57.6	Low	75 Å²	75	98 Å²	98	77%	0.773	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	3.6	177.7	0	0	0	0	0	115.2	T9 G13	T9-G11 PolarHBondContact O-N 2.96Å; G11-G13 PolarHBondContact O-N 2.97Å
12	A	58.3	Low	59.5	Low	27 Å²	27	87.8 Å²	87.8	22%	0.223	52%	0.52	C	S	.	.			trans	-69	129.1	179.2	0	0	0	0	0	110.9	T9	T9-A12 PolarHBondContact O-N 3.26Å; T9-A12 VanDerWaalsContact O-N 3.13Å
13	G	68.1	Low	61.2	Low	12 Å²	12	81.6 Å²	81.6	12%	0.124	50%	0.504	C	S	.	.			trans	-61.1	153.5	175.7	0	0	0	0	0	111.6	G11 H15 E16 T17 E55	G11-G13 PolarHBondContact O-N 2.97Å; G13-H15 PolarHBondContact O-N 3.35Å; G13-E16 WeakPolarHBondContact O-CB 3.46Å; G13-E16 PolarHBondContact O-N 3.36Å; G13-T17 PolarHBondContact O-N 3.47Å; G13-T17 PolarHBondContact O-OG1 2.95Å; G13-T17 VanDerWaalsContact O-OG1 3.14Å; G13-E55 WeakPolarHBondContact CA-OE1 3.3Å
14	L	75.5	Confident	62.8	Low	95 Å²	95	79.3 Å²	79.3	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-55.8	-34.6	177.9	-83.2	161.1	0	0	0	112.1	T17 L18 M51	L14-T17 PolarHBondContact O-N 3.22Å; L14-L18 WeakPolarHBondContact O-CB 3.21Å; L14-L18 PolarHBondContact O-N 3.24Å; L14-M51 HydrophobicContact CB-SD 4.13Å
15	H	76.9	Confident	64.1	Low	59 Å²	59	76.4 Å²	76.4	27%	0.273	47%	0.465	S	S	.	.	H	α-helix	trans	-64	-41.8	174.8	176.2	-89	0	0	0	112.6	G13 L18 A19 M51 K52	G13-H15 PolarHBondContact O-N 3.35Å; H15-L18 PolarHBondContact O-N 2.9Å; H15-A19 PolarHBondContact O-N 2.76Å; H15-M51 HydrophobicContact CB-CB 4.17Å; H15-K52 WeakPolarHBondContact NE2-CE 3.33Å
16	E	75.7	Confident	65.4	Low	113 Å²	113	75.9 Å²	75.9	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-70.2	-39.1	178.7	-170	172.2	-157.4	0	0	111.6	G13 L18 A19 L20	G13-E16 WeakPolarHBondContact O-CB 3.46Å; G13-E16 PolarHBondContact O-N 3.36Å; E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 3.48Å; E16-A19 PolarHBondContact O-N 3.12Å; E16-L20 HydrophobicContact CG-CD1 4.39Å; E16-L20 WeakPolarHBondContact O-CB 3.47Å; E16-L20 WeakPolarHBondContact O-CG 3.4Å; E16-L20 PolarHBondContact O-N 3.49Å
17	T	77.6	Confident	66.1	Low	36 Å²	36	76.5 Å²	76.5	22%	0.221	46%	0.457	C	S	.	.	H	α-helix	trans	-61.8	-42.4	174	-53.7	0	0	0	0	111.6	L8 G13 L14 L20 L21	L8-T17 HydrophobicContact CD2-CG2 4.35Å; G13-T17 PolarHBondContact O-N 3.47Å; G13-T17 PolarHBondContact O-OG1 2.95Å; G13-T17 VanDerWaalsContact O-OG1 3.14Å; L14-T17 PolarHBondContact O-N 3.22Å; T17-L20 PolarHBondContact O-N 3.43Å; T17-L21 HydrophobicContact CG2-CD1 4.15Å; T17-L21 WeakPolarHBondContact O-CG 3.41Å; T17-L21 PolarHBondContact O-N 3.47Å
18	L	77	Confident	66.7	Low	31 Å²	31	76.3 Å²	76.3	16%	0.162	45%	0.452	C	S	.	.	H	α-helix	trans	-68.1	-39.3	178.2	-167.7	131.2	0	0	0	112	L14 H15 E16 L21 T22 F42 L47 M51	L14-L18 WeakPolarHBondContact O-CB 3.21Å; L14-L18 PolarHBondContact O-N 3.24Å; H15-L18 PolarHBondContact O-N 2.9Å; E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 3.48Å; L18-L21 PolarHBondContact O-N 3.4Å; L18-T22 WeakPolarHBondContact O-CB 3.31Å; L18-T22 PolarHBondContact O-N 3.3Å; L18-T22 PolarHBondContact O-OG1 2.62Å; L18-F42 HydrophobicContact CD1-CD1 4.43Å; L18-F42 HydrophobicContact CD2-CB 4.39Å; L18-F42 WeakPolarHBondContact CD2-O 3.17Å; L18-L47 HydrophobicContact CD1-CD2 3.92Å; L18-L47 HydrophobicContact CD1-CG 4.25Å; L18-M51 HydrophobicContact CD1-CG 4.43Å
19	A	74.7	Confident	67.2	Low	51 Å²	51	74.8 Å²	74.8	42%	0.421	46%	0.456	S	S	.	.	H	α-helix	trans	-62.7	-41.6	173.7	0	0	0	0	0	112	H15 E16 T22 S23	H15-A19 PolarHBondContact O-N 2.76Å; E16-A19 PolarHBondContact O-N 3.12Å; A19-T22 PolarHBondContact O-N 3.18Å; A19-S23 PolarHBondContact O-N 2.91Å; A19-S23 VanDerWaalsContact O-N 3.08Å
20	L	75.1	Confident	67.5	Low	60 Å²	60	76.8 Å²	76.8	31%	0.314	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-47	175.6	-77.9	163.6	0	0	0	111.9	L8 E16 T17 T22 S23 Q24	L8-L20 HydrophobicContact CD2-CD1 4.32Å; E16-L20 HydrophobicContact CG-CD1 4.39Å; E16-L20 WeakPolarHBondContact O-CB 3.47Å; E16-L20 WeakPolarHBondContact O-CG 3.4Å; E16-L20 PolarHBondContact O-N 3.49Å; T17-L20 PolarHBondContact O-N 3.43Å; L20-T22 VanDerWaalsContact C-N 3.34Å; L20-T22 PolarHBondContact O-N 3.19Å; L20-S23 PolarHBondContact O-N 2.93Å; L20-S23 PolarHBondContact O-OG 3.08Å; L20-Q24 WeakPolarHBondContact O-CG 3.47Å; L20-Q24 PolarHBondContact O-N 3.41Å; L20-Q24 VanDerWaalsContact O-N 3.16Å
21	L	72.6	Confident	68.3	Low	92 Å²	92	76.3 Å²	76.3	48%	0.482	44%	0.439	S	S	.	.	H	α-helix	trans	-60	-44.1	176.8	-77.1	165.7	0	0	0	111.6	T17 L18 S23 Q24 L25	T17-L21 HydrophobicContact CG2-CD1 4.15Å; T17-L21 WeakPolarHBondContact O-CG 3.41Å; T17-L21 PolarHBondContact O-N 3.47Å; L18-L21 PolarHBondContact O-N 3.4Å; L21-S23 VanDerWaalsContact C-N 3.26Å; L21-S23 PolarHBondContact O-N 3.17Å; L21-Q24 PolarHBondContact O-N 3.02Å; L21-Q24 VanDerWaalsContact O-N 3.1Å; L21-L25 PolarHBondContact O-N 2.71Å
22	T	74.8	Confident	69.1	Low	25 Å²	25	78.8 Å²	78.8	15%	0.153	43%	0.429	C	S	.	.	H	α-helix	trans	-60.5	-37.4	177.2	-51.3	0	0	0	0	111.8	L18 A19 L20 Q24 F42	L18-T22 WeakPolarHBondContact O-CB 3.31Å; L18-T22 PolarHBondContact O-N 3.3Å; L18-T22 PolarHBondContact O-OG1 2.62Å; A19-T22 PolarHBondContact O-N 3.18Å; L20-T22 VanDerWaalsContact C-N 3.34Å; L20-T22 PolarHBondContact O-N 3.19Å; T22-Q24 VanDerWaalsContact C-N 3.31Å; T22-Q24 PolarHBondContact O-N 3.41Å; T22-F42 HydrophobicContact CG2-CB 4.27Å; T22-F42 WeakPolarHBondContact OG1-CB 3.29Å
23	S	72.7	Confident	69.7	Low	87 Å²	87	85.6 Å²	85.6	61%	0.608	46%	0.456	S	S	*	.	H	α-helix	trans	-72.5	-22.1	178.1	77.4	0	0	0	0	114	A19 L20 L21	A19-S23 PolarHBondContact O-N 2.91Å; A19-S23 VanDerWaalsContact O-N 3.08Å; L20-S23 PolarHBondContact O-N 2.93Å; L20-S23 PolarHBondContact O-OG 3.08Å; L21-S23 VanDerWaalsContact C-N 3.26Å; L21-S23 PolarHBondContact O-N 3.17Å
24	Q	70.8	Confident	70	Confident	89 Å²	89	89.6 Å²	89.6	42%	0.416	47%	0.474	S	S	.	.	H	α-helix	trans	-93.8	-9.2	-176.8	-70.1	178.6	31.7	0	0	113.7	L20 L21 T22 R26	L20-Q24 WeakPolarHBondContact O-CG 3.47Å; L20-Q24 PolarHBondContact O-N 3.41Å; L20-Q24 VanDerWaalsContact O-N 3.16Å; L21-Q24 PolarHBondContact O-N 3.02Å; L21-Q24 VanDerWaalsContact O-N 3.1Å; T22-Q24 VanDerWaalsContact C-N 3.31Å; T22-Q24 PolarHBondContact O-N 3.41Å; Q24-R26 PolarHBondContact O-N 3.11Å
25	L	70.3	Confident	69.9	Low	36 Å²	36	87.4 Å²	87.4	19%	0.188	46%	0.462	C	S	.	.			trans	-69.8	93	174.6	-70.2	171.5	0	0	0	110.6	L21 M35 L38 K39 F42	L21-L25 PolarHBondContact O-N 2.71Å; L25-M35 HydrophobicContact CB-CE 4.43Å; L25-M35 HydrophobicContact CD2-CE 3.67Å; L25-M35 HydrophobicContact CD2-SD 3.84Å; L25-L38 HydrophobicContact CD1-CB 4.1Å; L25-K39 HydrophobicContact CD1-CB 4.28Å; L25-F42 HydrophobicContact CD1-CD2 3.75Å; L25-F42 HydrophobicContact CD1-CE2 4.13Å
26	R	63.8	Low	70	Confident	157 Å²	157	88.3 Å²	88.3	59%	0.592	47%	0.472	S	S	*	.			trans	-92.3	134.9	170.4	-66	-175.9	-175	169.3	2.4	110.1	E3 Q24 D28 M35	E3-R26 IonicContact OE1-NH2 2.83Å; E3-R26 IonicContact OE2-CZ 3.72Å; E3-R26 VanDerWaalsContact OE2-CZ 3.23Å; E3-R26 IonicContact OE2-NH1 3.23Å; E3-R26 PolarHBondContact OE2-NH1 2.91Å; E3-R26 IonicContact OE2-NH2 2.81Å; E3-R26 PolarHBondContact OE2-NH2 3.19Å; Q24-R26 PolarHBondContact O-N 3.11Å; R26-D28 PolarHBondContact O-N 3.25Å; R26-M35 WeakPolarHBondContact O-CE 3.41Å
27	P	61.8	Low	70.2	Confident	91 Å²	91	89.3 Å²	89.3	59%	0.591	47%	0.474	S	S	*	.			trans	-73.9	99.9	178.6	26.8	-30.6	0	0	0	110.8
28	D	59.5	Low	70.3	Confident	125 Å²	125	90.6 Å²	90.6	67%	0.668	48%	0.48	S	S	*	.			trans	-78.7	149.7	168.3	-96.7	-25.5	0	0	0	111.4	R26 N30 H31 K32	R26-D28 PolarHBondContact O-N 3.25Å; D28-N30 PolarHBondContact O-N 3.42Å; D28-H31 PolarHBondContact O-N 3.02Å; D28-K32 WeakPolarHBondContact O-CG 3.42Å
29	A	55.6	Low	70.3	Confident	83 Å²	83	94.1 Å²	94.1	69%	0.686	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.9	-167.5	0	0	0	0	0	115.4
30	N	56.9	Low	70.6	Confident	147 Å²	147	96.8 Å²	96.8	79%	0.786	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-15.3	-175	-81.5	2.7	0	0	0	115.2	D28	D28-N30 PolarHBondContact O-N 3.42Å
31	H	63.8	Low	70.9	Confident	112 Å²	112	96.2 Å²	96.2	52%	0.519	50%	0.5	S	S	.	.			trans	-138.5	38.5	-173.8	-67	-73.1	0	0	0	112.3	D28 E33 D34 M35	D28-H31 PolarHBondContact O-N 3.02Å; H31-E33 VanDerWaalsContact C-N 3.3Å; H31-E33 PolarHBondContact O-N 2.96Å; H31-D34 IonicContact ND1-OD2 2.72Å; H31-D34 PolarHBondContact ND1-OD2 3.07Å; H31-D34 PolarHBondContact O-N 2.86Å; H31-M35 HydrophobicContact CB-CG 4.37Å; H31-M35 WeakPolarHBondContact O-CB 3.24Å; H31-M35 WeakPolarHBondContact O-CG 3.25Å; H31-M35 PolarHBondContact O-N 3.43Å; H31-M35 VanDerWaalsContact O-N 3.07Å
32	K	69.3	Low	71.3	Confident	127 Å²	127	94.6 Å²	94.6	55%	0.552	49%	0.489	S	S	*	.	H	α-helix	trans	-58.6	-39.7	-175.8	-74.4	-175.1	176.5	177.4	0	113	D28 V36	D28-K32 WeakPolarHBondContact O-CG 3.42Å; K32-V36 WeakPolarHBondContact O-CB 3.4Å; K32-V36 WeakPolarHBondContact O-CG2 3.35Å; K32-V36 PolarHBondContact O-N 3.25Å
33	E	72.1	Confident	71.6	Confident	170 Å²	170	96.5 Å²	96.5	79%	0.794	50%	0.504	S	S	*	.	H	α-helix	trans	-70.6	-46.1	-177.4	-65.2	-179.3	179.6	0	0	111.8	H31 M35 V36 F37	H31-E33 VanDerWaalsContact C-N 3.3Å; H31-E33 PolarHBondContact O-N 2.96Å; E33-M35 VanDerWaalsContact C-N 3.33Å; E33-M35 PolarHBondContact O-N 2.97Å; E33-V36 PolarHBondContact O-N 3.48Å; E33-F37 WeakPolarHBondContact O-CB 3.47Å; E33-F37 PolarHBondContact O-N 3.44Å
34	D	73.8	Confident	72.2	Confident	95 Å²	95	97.5 Å²	97.5	51%	0.508	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-38.5	177.8	-58.5	-38.5	0	0	0	112	H31 F37 L38	H31-D34 IonicContact ND1-OD2 2.72Å; H31-D34 PolarHBondContact ND1-OD2 3.07Å; H31-D34 PolarHBondContact O-N 2.86Å; D34-F37 PolarHBondContact O-N 2.91Å; D34-L38 WeakPolarHBondContact O-CB 3.34Å; D34-L38 WeakPolarHBondContact O-CG 3.44Å; D34-L38 PolarHBondContact O-N 3.4Å
35	M	74.3	Confident	72.8	Confident	50 Å²	50	103 Å²	103	25%	0.246	52%	0.515	C	S	.	.	H	α-helix	trans	-73.8	-32.4	179.9	-66.3	-68	-90	0	0	112.4	L25 R26 H31 E33 K39	L25-M35 HydrophobicContact CB-CE 4.43Å; L25-M35 HydrophobicContact CD2-CE 3.67Å; L25-M35 HydrophobicContact CD2-SD 3.84Å; R26-M35 WeakPolarHBondContact O-CE 3.41Å; H31-M35 HydrophobicContact CB-CG 4.37Å; H31-M35 WeakPolarHBondContact O-CB 3.24Å; H31-M35 WeakPolarHBondContact O-CG 3.25Å; H31-M35 PolarHBondContact O-N 3.43Å; H31-M35 VanDerWaalsContact O-N 3.07Å; E33-M35 VanDerWaalsContact C-N 3.33Å; E33-M35 PolarHBondContact O-N 2.97Å; M35-K39 WeakPolarHBondContact O-CB 3.18Å; M35-K39 PolarHBondContact O-N 2.89Å; M35-K39 VanDerWaalsContact O-N 3.1Å
36	V	77.6	Confident	73.4	Confident	77 Å²	77	104.2 Å²	104.2	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-68.4	-45.8	171.6	168.7	0	0	0	0	109.9	K32 E33 L38 K39 D40	K32-V36 WeakPolarHBondContact O-CB 3.4Å; K32-V36 WeakPolarHBondContact O-CG2 3.35Å; K32-V36 PolarHBondContact O-N 3.25Å; E33-V36 PolarHBondContact O-N 3.48Å; V36-L38 PolarHBondContact O-N 3.3Å; V36-K39 WeakPolarHBondContact O-CB 3.5Å; V36-K39 PolarHBondContact O-N 2.84Å; V36-D40 PolarHBondContact O-N 3.12Å
37	F	79.9	Confident	74.3	Confident	134 Å²	134	98.6 Å²	98.6	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-57.6	-48.9	175.7	172.9	-99.8	0	0	0	112.4	E33 D34 K39 D40 V41	E33-F37 WeakPolarHBondContact O-CB 3.47Å; E33-F37 PolarHBondContact O-N 3.44Å; D34-F37 PolarHBondContact O-N 2.91Å; F37-K39 VanDerWaalsContact C-N 3.29Å; F37-K39 PolarHBondContact O-N 3.39Å; F37-D40 PolarHBondContact O-N 2.87Å; F37-D40 VanDerWaalsContact O-N 3.16Å; F37-V41 HydrophobicContact CD1-CG2 4.33Å; F37-V41 HydrophobicContact CD2-CG2 4.3Å; F37-V41 HydrophobicContact CE1-CG2 3.88Å; F37-V41 HydrophobicContact CE2-CG2 3.85Å; F37-V41 HydrophobicContact CZ-CG2 3.62Å; F37-V41 WeakPolarHBondContact O-CG2 3.48Å; F37-V41 PolarHBondContact O-N 3.44Å
38	L	79.1	Confident	75.2	Confident	63 Å²	63	95 Å²	95	33%	0.33	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-37.6	178.1	-78.2	166.4	0	0	0	112.4	L25 D34 V36 V41 F42	L25-L38 HydrophobicContact CD1-CB 4.1Å; D34-L38 WeakPolarHBondContact O-CB 3.34Å; D34-L38 WeakPolarHBondContact O-CG 3.44Å; D34-L38 PolarHBondContact O-N 3.4Å; V36-L38 PolarHBondContact O-N 3.3Å; L38-V41 PolarHBondContact O-N 2.94Å; L38-F42 HydrophobicContact CB-CE2 4.37Å; L38-F42 HydrophobicContact CD2-CE2 4.16Å; L38-F42 HydrophobicContact CD2-CZ 3.91Å; L38-F42 WeakPolarHBondContact O-CB 3.38Å; L38-F42 WeakPolarHBondContact O-CD2 3.33Å; L38-F42 VanDerWaalsContact O-CG 3.27Å; L38-F42 WeakPolarHBondContact O-CG 3.44Å; L38-F42 PolarHBondContact O-N 2.79Å
39	K	78	Confident	76.3	Confident	105 Å²	105	96.1 Å²	96.1	46%	0.457	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-40.5	175	-173.7	178.2	178.5	-179.3	0	111.3	L25 M35 V36 F37 S43	L25-K39 HydrophobicContact CD1-CB 4.28Å; M35-K39 WeakPolarHBondContact O-CB 3.18Å; M35-K39 PolarHBondContact O-N 2.89Å; M35-K39 VanDerWaalsContact O-N 3.1Å; V36-K39 WeakPolarHBondContact O-CB 3.5Å; V36-K39 PolarHBondContact O-N 2.84Å; F37-K39 VanDerWaalsContact C-N 3.29Å; F37-K39 PolarHBondContact O-N 3.39Å; K39-S43 WeakPolarHBondContact O-CB 3.34Å; K39-S43 PolarHBondContact O-N 3.44Å; K39-S43 PolarHBondContact O-OG 3.44Å
40	D	80.4	Confident	77.7	Confident	107 Å²	107	97 Å²	97	57%	0.572	48%	0.477	S	S	*	.	H	α-helix	trans	-66.3	-42.5	177.6	-71.9	-14.1	0	0	0	111.5	V36 F37 S43 E44	V36-D40 PolarHBondContact O-N 3.12Å; F37-D40 PolarHBondContact O-N 2.87Å; F37-D40 VanDerWaalsContact O-N 3.16Å; D40-S43 PolarHBondContact O-N 3.03Å; D40-E44 PolarHBondContact O-N 3.38Å
41	V	81.9	Confident	78.8	Confident	48 Å²	48	91.9 Å²	91.9	29%	0.291	45%	0.448	S	S	.	.	H	α-helix	trans	-64.8	-46.7	176.3	173.2	0	0	0	0	111.5	F37 L38 S43 E44 L47	F37-V41 HydrophobicContact CD1-CG2 4.33Å; F37-V41 HydrophobicContact CD2-CG2 4.3Å; F37-V41 HydrophobicContact CE1-CG2 3.88Å; F37-V41 HydrophobicContact CE2-CG2 3.85Å; F37-V41 HydrophobicContact CZ-CG2 3.62Å; F37-V41 WeakPolarHBondContact O-CG2 3.48Å; F37-V41 PolarHBondContact O-N 3.44Å; L38-V41 PolarHBondContact O-N 2.94Å; V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 3.37Å; V41-E44 VanDerWaalsContact O-CB 3.26Å; V41-E44 WeakPolarHBondContact O-CB 3.48Å; V41-E44 PolarHBondContact O-N 3.02Å; V41-L47 WeakPolarHBondContact O-CD2 3.36Å
42	F	80.7	Confident	79.6	Confident	58 Å²	58	91.2 Å²	91.2	25%	0.254	44%	0.444	S	S	.	.	H	α-helix	trans	-74.5	-22.7	-179.9	-60	-29.2	0	0	0	113.6	L18 T22 L25 L38 E44 L47	L18-F42 HydrophobicContact CD1-CD1 4.43Å; L18-F42 HydrophobicContact CD2-CB 4.39Å; L18-F42 WeakPolarHBondContact CD2-O 3.17Å; T22-F42 HydrophobicContact CG2-CB 4.27Å; T22-F42 WeakPolarHBondContact OG1-CB 3.29Å; L25-F42 HydrophobicContact CD1-CD2 3.75Å; L25-F42 HydrophobicContact CD1-CE2 4.13Å; L38-F42 HydrophobicContact CB-CE2 4.37Å; L38-F42 HydrophobicContact CD2-CE2 4.16Å; L38-F42 HydrophobicContact CD2-CZ 3.91Å; L38-F42 WeakPolarHBondContact O-CB 3.38Å; L38-F42 WeakPolarHBondContact O-CD2 3.33Å; L38-F42 VanDerWaalsContact O-CG 3.27Å; L38-F42 WeakPolarHBondContact O-CG 3.44Å; L38-F42 PolarHBondContact O-N 2.79Å; F42-E44 VanDerWaalsContact C-N 3.27Å; F42-L47 HydrophobicContact CD1-CD2 4.25Å
43	S	80.5	Confident	80.3	Confident	66 Å²	66	89.7 Å²	89.7	46%	0.462	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.4	173.2	-54.6	0	0	0	0	112.8	K39 D40 V41 R45	K39-S43 WeakPolarHBondContact O-CB 3.34Å; K39-S43 PolarHBondContact O-N 3.44Å; K39-S43 PolarHBondContact O-OG 3.44Å; D40-S43 PolarHBondContact O-N 3.03Å; V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 3.37Å; S43-R45 PolarHBondContact O-N 2.99Å
44	E	86.9	Confident	80.7	Confident	107 Å²	107	85.2 Å²	85.2	50%	0.5	42%	0.42	S	S	.	.			trans	-64.9	124.9	-179.8	-156.2	-167.4	153.9	0	0	110.6	D40 V41 F42 S46 L47 G48	D40-E44 PolarHBondContact O-N 3.38Å; V41-E44 VanDerWaalsContact O-CB 3.26Å; V41-E44 WeakPolarHBondContact O-CB 3.48Å; V41-E44 PolarHBondContact O-N 3.02Å; F42-E44 VanDerWaalsContact C-N 3.27Å; E44-S46 VanDerWaalsContact C-N 3.25Å; E44-S46 WeakPolarHBondContact CG-OG 3.42Å; E44-S46 PolarHBondContact O-N 3.14Å; E44-S46 PolarHBondContact OE1-OG 3.38Å; E44-L47 HydrophobicContact CB-CB 4.46Å; E44-L47 PolarHBondContact O-N 3.21Å; E44-G48 PolarHBondContact O-N 3Å
45	R	82.4	Confident	81	Confident	205 Å²	205	83.8 Å²	83.8	77%	0.774	41%	0.41	S	S	*	.	H	α-helix	trans	-61.7	-33.8	-175.6	-73.4	-172.1	-79.1	-172.5	-4.6	112.7	S43 G48 Y49	S43-R45 PolarHBondContact O-N 2.99Å; R45-G48 PolarHBondContact O-N 3.4Å; R45-Y49 HydrophobicContact CB-CE2 4.27Å; R45-Y49 WeakPolarHBondContact O-CD2 3.29Å; R45-Y49 PolarHBondContact O-N 3.47Å
46	S	83.3	Confident	81.3	Confident	61 Å²	61	88 Å²	88	43%	0.427	43%	0.427	S	S	.	.	H	α-helix	trans	-60	-46.5	177.6	58.1	0	0	0	0	111.5	E44 Y49 L50	E44-S46 VanDerWaalsContact C-N 3.25Å; E44-S46 WeakPolarHBondContact CG-OG 3.42Å; E44-S46 PolarHBondContact O-N 3.14Å; E44-S46 PolarHBondContact OE1-OG 3.38Å; S46-Y49 PolarHBondContact O-N 3.41Å; S46-L50 WeakPolarHBondContact O-CB 3.49Å; S46-L50 PolarHBondContact O-N 3.23Å
47	L	83.1	Confident	81.3	Confident	40 Å²	40	89.1 Å²	89.1	21%	0.209	43%	0.43	C	S	.	.	H	α-helix	trans	-64.7	-42.3	177.9	-174.7	63.4	0	0	0	111.3	L18 V41 F42 E44 Y49 L50 M51	L18-L47 HydrophobicContact CD1-CD2 3.92Å; L18-L47 HydrophobicContact CD1-CG 4.25Å; V41-L47 WeakPolarHBondContact O-CD2 3.36Å; F42-L47 HydrophobicContact CD1-CD2 4.25Å; E44-L47 HydrophobicContact CB-CB 4.46Å; E44-L47 PolarHBondContact O-N 3.21Å; L47-Y49 PolarHBondContact O-N 3.39Å; L47-L50 PolarHBondContact O-N 2.77Å; L47-M51 HydrophobicContact CD1-CE 4.27Å; L47-M51 WeakPolarHBondContact O-CG 3.43Å; L47-M51 PolarHBondContact O-N 3.28Å
48	G	80.3	Confident	81.1	Confident	16 Å²	16	88.7 Å²	88.7	17%	0.165	42%	0.424	C	S	.	.	H	α-helix	trans	-59.7	-43.4	174.2	0	0	0	0	0	113	E44 R45 K52	E44-G48 PolarHBondContact O-N 3Å; R45-G48 PolarHBondContact O-N 3.4Å; G48-K52 WeakPolarHBondContact O-CG 3.32Å; G48-K52 PolarHBondContact O-N 2.95Å
49	Y	82.1	Confident	80.9	Confident	148 Å²	148	90.1 Å²	90.1	58%	0.58	43%	0.429	S	S	*	.	H	α-helix	trans	-66.5	-41.9	174.9	-73	-57.7	0	0	0	112.3	R45 S46 L47 M51 K52 I53	R45-Y49 HydrophobicContact CB-CE2 4.27Å; R45-Y49 WeakPolarHBondContact O-CD2 3.29Å; R45-Y49 PolarHBondContact O-N 3.47Å; S46-Y49 PolarHBondContact O-N 3.41Å; L47-Y49 PolarHBondContact O-N 3.39Å; Y49-M51 VanDerWaalsContact C-N 3.33Å; Y49-M51 PolarHBondContact O-N 3Å; Y49-K52 PolarHBondContact O-N 3.22Å; Y49-I53 VanDerWaalsContact O-CG1 3.28Å; Y49-I53 WeakPolarHBondContact O-CG1 3.44Å; Y49-I53 PolarHBondContact O-N 3.46Å
50	L	84.6	Confident	80.5	Confident	101 Å²	101	92.2 Å²	92.2	53%	0.529	44%	0.435	S	S	.	.	H	α-helix	trans	-60.4	-43	178.4	-171.8	68.4	0	0	0	111.7	S46 L47 I53 H54	S46-L50 WeakPolarHBondContact O-CB 3.49Å; S46-L50 PolarHBondContact O-N 3.23Å; L47-L50 PolarHBondContact O-N 2.77Å; L50-I53 PolarHBondContact O-N 3.12Å; L50-H54 WeakPolarHBondContact O-CB 3.32Å; L50-H54 PolarHBondContact O-N 3.48Å
51	M	80.9	Confident	79.9	Confident	39 Å²	39	93.5 Å²	93.5	19%	0.192	44%	0.438	C	S	.	.	H	α-helix	trans	-64.8	-38.6	176.6	-68.6	-62.3	113.1	0	0	112.2	L14 H15 L18 L47 Y49 H54 E55	L14-M51 HydrophobicContact CB-SD 4.13Å; H15-M51 HydrophobicContact CB-CB 4.17Å; L18-M51 HydrophobicContact CD1-CG 4.43Å; L47-M51 HydrophobicContact CD1-CE 4.27Å; L47-M51 WeakPolarHBondContact O-CG 3.43Å; L47-M51 PolarHBondContact O-N 3.28Å; Y49-M51 VanDerWaalsContact C-N 3.33Å; Y49-M51 PolarHBondContact O-N 3Å; M51-H54 PolarHBondContact O-N 3.03Å; M51-E55 WeakPolarHBondContact O-CB 3.47Å; M51-E55 PolarHBondContact O-N 2.82Å
52	K	81.1	Confident	79.3	Confident	99 Å²	99	100.7 Å²	100.7	43%	0.43	46%	0.46	S	S	.	.	H	α-helix	trans	-65.3	-41.3	173.6	-72.5	-179.2	-174.5	-179.2	0	112.4	H15 G48 Y49 E55 K56	H15-K52 WeakPolarHBondContact NE2-CE 3.33Å; G48-K52 WeakPolarHBondContact O-CG 3.32Å; G48-K52 PolarHBondContact O-N 2.95Å; Y49-K52 PolarHBondContact O-N 3.22Å; K52-E55 PolarHBondContact O-N 3.15Å; K52-K56 WeakPolarHBondContact O-CG 3.45Å; K52-K56 PolarHBondContact O-N 3.46Å
53	I	82.6	Confident	78.6	Confident	95 Å²	95	105.8 Å²	105.8	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-63.1	-46.1	176.7	-69.2	165	0	0	0	109.7	Y49 L50 E55 K56 L57	Y49-I53 VanDerWaalsContact O-CG1 3.28Å; Y49-I53 WeakPolarHBondContact O-CG1 3.44Å; Y49-I53 PolarHBondContact O-N 3.46Å; L50-I53 PolarHBondContact O-N 3.12Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-E55 PolarHBondContact O-N 2.94Å; I53-K56 PolarHBondContact O-N 3Å; I53-L57 HydrophobicContact CG2-CD1 3.75Å; I53-L57 HydrophobicContact CG2-CG 4.29Å; I53-L57 WeakPolarHBondContact O-CB 3.46Å; I53-L57 WeakPolarHBondContact O-CG 3.47Å; I53-L57 PolarHBondContact O-N 3.21Å
54	H	81.1	Confident	77.7	Confident	75 Å²	75	105.6 Å²	105.6	35%	0.347	48%	0.483	S	S	.	.	H	α-helix	trans	-58.5	-43.9	176.5	180	76.2	0	0	0	112.3	L50 M51 K56 L57 R58	L50-H54 WeakPolarHBondContact O-CB 3.32Å; L50-H54 PolarHBondContact O-N 3.48Å; M51-H54 PolarHBondContact O-N 3.03Å; H54-K56 VanDerWaalsContact C-N 3.35Å; H54-K56 PolarHBondContact O-N 3.49Å; H54-L57 PolarHBondContact O-N 3.39Å; H54-R58 WeakPolarHBondContact O-CB 3.32Å; H54-R58 PolarHBondContact O-N 3.05Å
55	E	81.2	Confident	76.7	Confident	65 Å²	65	105.2 Å²	105.2	30%	0.304	49%	0.49	S	S	.	.	H	α-helix	trans	-64.8	-38.6	177.9	-172.2	167.2	-163.2	0	0	112.3	G13 M51 K52 I53 Q59	G13-E55 WeakPolarHBondContact CA-OE1 3.3Å; M51-E55 WeakPolarHBondContact O-CB 3.47Å; M51-E55 PolarHBondContact O-N 2.82Å; K52-E55 PolarHBondContact O-N 3.15Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-E55 PolarHBondContact O-N 2.94Å; E55-Q59 WeakPolarHBondContact O-CG 3.32Å; E55-Q59 PolarHBondContact O-N 3.44Å
56	K	79.3	Confident	76	Confident	140 Å²	140	101.3 Å²	101.3	61%	0.609	49%	0.489	S	S	*	.	H	α-helix	trans	-68.7	-39.7	174.4	-72.6	-71.5	167.2	-162.6	0	112.8	K52 I53 H54 Q59 Y60	K52-K56 WeakPolarHBondContact O-CG 3.45Å; K52-K56 PolarHBondContact O-N 3.46Å; I53-K56 PolarHBondContact O-N 3Å; H54-K56 VanDerWaalsContact C-N 3.35Å; H54-K56 PolarHBondContact O-N 3.49Å; K56-Q59 VanDerWaalsContact NZ-OE1 3.13Å; K56-Q59 PolarHBondContact O-N 3.33Å; K56-Y60 PolarHBondContact O-N 3.14Å
57	L	78.4	Confident	75.5	Confident	99 Å²	99	100.7 Å²	100.7	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-64.9	-42.1	174.2	-74.5	169.4	0	0	0	111.7	I53 H54 Q59 Y60 E61	I53-L57 HydrophobicContact CG2-CD1 3.75Å; I53-L57 HydrophobicContact CG2-CG 4.29Å; I53-L57 WeakPolarHBondContact O-CB 3.46Å; I53-L57 WeakPolarHBondContact O-CG 3.47Å; I53-L57 PolarHBondContact O-N 3.21Å; H54-L57 PolarHBondContact O-N 3.39Å; L57-Q59 VanDerWaalsContact C-N 3.33Å; L57-Q59 PolarHBondContact O-N 2.97Å; L57-Y60 CarbonylContact O-C 3.36Å; L57-Y60 WeakPolarHBondContact O-CB 3.14Å; L57-Y60 PolarHBondContact O-N 2.88Å; L57-Y60 VanDerWaalsContact O-N 3.14Å; L57-E61 PolarHBondContact O-N 3.03Å
58	R	76	Confident	75.3	Confident	126 Å²	126	105.6 Å²	105.6	48%	0.475	52%	0.515	S	S	.	.	H	α-helix	trans	-60.4	-39.6	173.1	-90.7	-80.3	-159.3	-177.4	0	112.8	H54 R62	H54-R58 WeakPolarHBondContact O-CB 3.32Å; H54-R58 PolarHBondContact O-N 3.05Å; R58-R62 WeakPolarHBondContact O-CG 3.04Å; R58-R62 PolarHBondContact O-N 3.17Å
59	Q	73.4	Confident	75.2	Confident	92 Å²	92	108.3 Å²	108.3	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-42.4	173.5	-77.3	177.4	-5.5	0	0	110.9	E55 K56 L57 R62 Q63	E55-Q59 WeakPolarHBondContact O-CG 3.32Å; E55-Q59 PolarHBondContact O-N 3.44Å; K56-Q59 VanDerWaalsContact NZ-OE1 3.13Å; K56-Q59 PolarHBondContact O-N 3.33Å; L57-Q59 VanDerWaalsContact C-N 3.33Å; L57-Q59 PolarHBondContact O-N 2.97Å; Q59-R62 PolarHBondContact O-N 3.16Å; Q59-Q63 PolarHBondContact O-N 3.36Å; Q59-Q63 VanDerWaalsContact O-N 3.16Å
60	Y	69.5	Low	75.3	Confident	150 Å²	150	106.1 Å²	106.1	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-43	177	-173.9	-98.7	0	0	0	112.9	K56 L57 R62 Q63 S64	K56-Y60 PolarHBondContact O-N 3.14Å; L57-Y60 CarbonylContact O-C 3.36Å; L57-Y60 WeakPolarHBondContact O-CB 3.14Å; L57-Y60 PolarHBondContact O-N 2.88Å; L57-Y60 VanDerWaalsContact O-N 3.14Å; Y60-R62 PolarHBondContact O-N 3.29Å; Y60-Q63 CarbonylContact O-C 3.47Å; Y60-Q63 PolarHBondContact O-N 3.3Å; Y60-S64 WeakPolarHBondContact O-CA 3.33Å; Y60-S64 WeakPolarHBondContact O-CB 3.16Å; Y60-S64 PolarHBondContact O-N 3.11Å
61	E	69.3	Low	75.4	Confident	134 Å²	134	103.9 Å²	103.9	63%	0.626	51%	0.513	S	S	*	.	H	α-helix	trans	-58.2	-37.4	175	-80.1	-179.6	164	0	0	112.4	L57	L57-E61 PolarHBondContact O-N 3.03Å
62	R	68.3	Low	75.7	Confident	199 Å²	199	103 Å²	103	75%	0.751	51%	0.511	S	S	*	.	H	α-helix	trans	-77.3	-22.3	179.4	-74.7	179.9	176.7	170.9	0.5	114	R58 Q59 Y60	R58-R62 WeakPolarHBondContact O-CG 3.04Å; R58-R62 PolarHBondContact O-N 3.17Å; Q59-R62 PolarHBondContact O-N 3.16Å; Y60-R62 PolarHBondContact O-N 3.29Å
63	Q	65.8	Low	76.1	Confident	164 Å²	164	99.2 Å²	99.2	77%	0.766	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	32.7	-174.9	-62.9	-177	0.8	0	0	111.6	Q59 Y60 P65	Q59-Q63 PolarHBondContact O-N 3.36Å; Q59-Q63 VanDerWaalsContact O-N 3.16Å; Y60-Q63 CarbonylContact O-C 3.47Å; Y60-Q63 PolarHBondContact O-N 3.3Å; Q63-P65 WeakPolarHBondContact O-CD 3.44Å
64	S	62.2	Low	76.3	Confident	62 Å²	62	97.6 Å²	97.6	43%	0.434	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-67.4	125.7	180	58.1	0	0	0	0	108.8	Y60 T66	Y60-S64 WeakPolarHBondContact O-CA 3.33Å; Y60-S64 WeakPolarHBondContact O-CB 3.16Å; Y60-S64 PolarHBondContact O-N 3.11Å; S64-T66 PolarHBondContact O-N 3.31Å; S64-T66 VanDerWaalsContact O-N 3.15Å
65	P	65.9	Low	76.6	Confident	100 Å²	100	98.4 Å²	98.4	65%	0.649	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-65	119	177.9	24.4	-30.6	0	0	0	108.4	Q63	Q63-P65 WeakPolarHBondContact O-CD 3.44Å
66	T	67.7	Low	77	Confident	122 Å²	122	96 Å²	96	75%	0.748	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-74.6	124.6	172.9	50.3	0	0	0	0	108.6	S64 V68	S64-T66 PolarHBondContact O-N 3.31Å; S64-T66 VanDerWaalsContact O-N 3.15Å; T66-V68 PolarHBondContact O-N 3.36Å
67	P	73.5	Confident	77.4	Confident	49 Å²	49	93.7 Å²	93.7	32%	0.318	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-63.5	137	177	28.4	-35.3	0	0	0	109.6	L69 A115	P67-L69 VanDerWaalsContact C-N 3.28Å; P67-A115 HydrophobicContact CB-CB 3.49Å; P67-A115 VanDerWaalsContact CB-CB 3.49Å; P67-A115 HydrophobicContact CG-CB 3.78Å
68	V	77.3	Confident	77.9	Confident	143 Å²	143	93.5 Å²	93.5	87%	0.867	48%	0.483	S	S	*	.	S	Bend	trans	-70.7	-30	-179.4	179	0	0	0	0	110.9	T66	T66-V68 PolarHBondContact O-N 3.36Å
69	L	79.8	Confident	78.4	Confident	72 Å²	72	90 Å²	90	38%	0.377	48%	0.476	S	S	.	.			trans	-143.5	156.4	175	-130.8	94.7	0	0	0	109.7	P67 L75 H111	P67-L69 VanDerWaalsContact C-N 3.28Å; L69-L75 HydrophobicContact CD2-CD2 4.07Å; L69-H111 PolarHBondContact O-CE1 3.38Å
70	H	82.9	Confident	79.1	Confident	103 Å²	103	86 Å²	86	48%	0.477	46%	0.458	S	S	.	.	S	Bend	trans	-106.1	-2.5	176.6	-54.3	-75.3	0	0	0	113.3	A115 Q116	H70-A115 PolarHBondContact ND1-O 3.31Å; H70-Q116 HydrophobicContact CB-CG 4.11Å; H70-Q116 WeakPolarHBondContact O-CG 3.47Å; H70-Q116 PolarHBondContact O-NE2 2.94Å
71	S	87.3	Confident	79.9	Confident	53 Å²	53	85 Å²	85	37%	0.371	46%	0.459	S	S	.	.			trans	-142.6	44.6	-172.3	60.1	0	0	0	0	111.9	S73 S74 L75 D112	S71-S73 VanDerWaalsContact C-N 3.27Å; S71-S73 PolarHBondContact O-N 2.94Å; S71-S74 PolarHBondContact O-N 3.43Å; S71-L75 PolarHBondContact O-N 3.01Å; S71-L75 VanDerWaalsContact O-N 3.14Å; S71-D112 VanDerWaalsContact C-OD2 3.25Å; S71-D112 WeakPolarHBondContact CA-OD2 3.32Å
72	A	87.7	Confident	80.7	Confident	20 Å²	20	85.3 Å²	85.3	17%	0.165	46%	0.461	C	S	.	.	H	α-helix	trans	-66	-29.8	-177.8	0	0	0	0	0	112.4	A76 L108 D112	A72-A76 WeakPolarHBondContact O-CB 3.39Å; A72-A76 PolarHBondContact O-N 3.43Å; A72-L108 HydrophobicContact CB-CD2 3.99Å; A72-D112 WeakPolarHBondContact CB-OD1 3.44Å; A72-D112 VanDerWaalsContact N-CG 3.31Å; A72-D112 PolarHBondContact N-OD1 3.49Å; A72-D112 PolarHBondContact N-OD2 2.92Å
73	S	88.4	Confident	81.5	Confident	21 Å²	21	77.3 Å²	77.3	15%	0.147	43%	0.433	C	S	.	.	H	α-helix	trans	-66.5	-48.9	175.4	-167.9	0	0	0	0	111.5	S71 L75 A76 E77 D112	S71-S73 VanDerWaalsContact C-N 3.27Å; S71-S73 PolarHBondContact O-N 2.94Å; S73-L75 VanDerWaalsContact C-N 3.29Å; S73-L75 PolarHBondContact O-N 2.77Å; S73-A76 PolarHBondContact O-N 3.48Å; S73-E77 PolarHBondContact O-N 2.99Å; S73-D112 WeakPolarHBondContact CB-OD2 3.47Å; S73-D112 PolarHBondContact N-OD2 2.88Å
74	S	86.8	Confident	82.2	Confident	60 Å²	60	75.2 Å²	75.2	42%	0.42	42%	0.423	S	S	.	.	H	α-helix	trans	-64.1	-36.1	178	-52.8	0	0	0	0	112	S71 E77 N78	S71-S74 PolarHBondContact O-N 3.43Å; S74-E77 PolarHBondContact O-N 3.47Å; S74-N78 VanDerWaalsContact O-CG 3.23Å; S74-N78 PolarHBondContact O-N 2.97Å; S74-N78 PolarHBondContact O-ND2 3.05Å
75	L	88.3	Confident	83	Confident	92 Å²	92	78 Å²	78	48%	0.482	44%	0.437	S	S	.	.	H	α-helix	trans	-64.6	-43.6	174.8	-176.1	63.8	0	0	0	111.6	L69 S71 S73 E77 N78 V79	L69-L75 HydrophobicContact CD2-CD2 4.07Å; S71-L75 PolarHBondContact O-N 3.01Å; S71-L75 VanDerWaalsContact O-N 3.14Å; S73-L75 VanDerWaalsContact C-N 3.29Å; S73-L75 PolarHBondContact O-N 2.77Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.3Å; L75-N78 PolarHBondContact O-N 3.38Å; L75-V79 VanDerWaalsContact O-CG2 3.32Å; L75-V79 WeakPolarHBondContact O-CG2 3.41Å; L75-V79 PolarHBondContact O-N 2.69Å
76	A	89.1	Confident	83.5	Confident	15 Å²	15	75.2 Å²	75.2	12%	0.124	43%	0.427	C	S	.	.	H	α-helix	trans	-63.4	-35.3	176.5	0	0	0	0	0	112.6	A72 S73 A80 L99 L108	A72-A76 WeakPolarHBondContact O-CB 3.39Å; A72-A76 PolarHBondContact O-N 3.43Å; S73-A76 PolarHBondContact O-N 3.48Å; A76-A80 VanDerWaalsContact O-CB 3.29Å; A76-A80 WeakPolarHBondContact O-CB 3.44Å; A76-A80 PolarHBondContact O-N 3.08Å; A76-L99 HydrophobicContact CB-CD2 4.15Å; A76-L108 HydrophobicContact CB-CD1 3.51Å
77	E	87.7	Confident	83.7	Confident	91 Å²	91	76 Å²	76	43%	0.425	43%	0.434	S	S	.	.	H	α-helix	trans	-67.3	-47	174.3	-73.4	176.8	166.1	0	0	111.8	S73 S74 L75 V79 A80 E81	S73-E77 PolarHBondContact O-N 2.99Å; S74-E77 PolarHBondContact O-N 3.47Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.3Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.38Å; E77-A80 WeakPolarHBondContact O-CB 3.47Å; E77-A80 PolarHBondContact O-N 3.36Å; E77-A80 VanDerWaalsContact O-N 3.12Å; E77-E81 WeakPolarHBondContact O-CG 3.38Å; E77-E81 PolarHBondContact O-N 3.5Å
78	N	88.3	Confident	84	Confident	95 Å²	95	75.7 Å²	75.7	51%	0.508	43%	0.429	S	S	.	.	H	α-helix	trans	-58.5	-44.1	176.1	-68.8	-27.6	0	0	0	111.9	S74 L75 A80 E81 E82	S74-N78 VanDerWaalsContact O-CG 3.23Å; S74-N78 PolarHBondContact O-N 2.97Å; S74-N78 PolarHBondContact O-ND2 3.05Å; L75-N78 PolarHBondContact O-N 3.38Å; N78-A80 VanDerWaalsContact C-N 3.34Å; N78-E81 PolarHBondContact O-N 2.98Å; N78-E82 WeakPolarHBondContact O-CB 3.34Å; N78-E82 PolarHBondContact O-N 2.99Å
79	V	87.9	Confident	84.2	Confident	52 Å²	52	71.2 Å²	71.2	32%	0.315	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-40.5	176.5	173	0	0	0	0	110.9	L75 E77 E81 E82 L83 L99	L75-V79 VanDerWaalsContact O-CG2 3.32Å; L75-V79 WeakPolarHBondContact O-CG2 3.41Å; L75-V79 PolarHBondContact O-N 2.69Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.38Å; V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.48Å; V79-E82 PolarHBondContact O-N 3.45Å; V79-L83 HydrophobicContact CG1-CD1 3.93Å; V79-L83 HydrophobicContact CG1-CG 4.34Å; V79-L83 WeakPolarHBondContact O-CB 3.22Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 3.43Å; V79-L99 HydrophobicContact CB-CD1 4.37Å; V79-L99 HydrophobicContact CG1-CD1 3.83Å
80	A	86.9	Confident	84.4	Confident	8 Å²	8	72.4 Å²	72.4	7%	0.066	41%	0.414	C	S	.	.	H	α-helix	trans	-65	-36	176.4	0	0	0	0	0	112.4	A76 E77 N78 Q84 L96	A76-A80 VanDerWaalsContact O-CB 3.29Å; A76-A80 WeakPolarHBondContact O-CB 3.44Å; A76-A80 PolarHBondContact O-N 3.08Å; E77-A80 WeakPolarHBondContact O-CB 3.47Å; E77-A80 PolarHBondContact O-N 3.36Å; E77-A80 VanDerWaalsContact O-N 3.12Å; N78-A80 VanDerWaalsContact C-N 3.34Å; A80-Q84 WeakPolarHBondContact O-CG 3Å; A80-Q84 PolarHBondContact O-NE2 3.05Å; A80-L96 HydrophobicContact CB-CD1 3.82Å; A80-L96 WeakPolarHBondContact O-CD1 3.22Å
81	E	86.9	Confident	84.5	Confident	129 Å²	129	73.6 Å²	73.6	60%	0.603	42%	0.42	S	S	*	.	H	α-helix	trans	-69.1	-45.9	174.5	-73.6	-176.8	-179.6	0	0	111.7	E77 N78 V79 L83 Q84	E77-E81 WeakPolarHBondContact O-CG 3.38Å; E77-E81 PolarHBondContact O-N 3.5Å; N78-E81 PolarHBondContact O-N 2.98Å; V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.48Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.31Å; E81-Q84 WeakPolarHBondContact O-CB 3.26Å; E81-Q84 PolarHBondContact O-N 2.89Å; E81-Q84 VanDerWaalsContact O-N 3.08Å
82	E	85.9	Confident	84.3	Confident	141 Å²	141	74.7 Å²	74.7	66%	0.659	42%	0.419	S	S	*	.	H	α-helix	trans	-61.9	-41.9	-179.9	-168.4	171.9	-173.4	0	0	111.7	N78 V79 Q84 T85	N78-E82 WeakPolarHBondContact O-CB 3.34Å; N78-E82 PolarHBondContact O-N 2.99Å; V79-E82 PolarHBondContact O-N 3.45Å; E82-Q84 PolarHBondContact O-N 2.89Å; E82-Q84 VanDerWaalsContact O-N 3.17Å; E82-T85 PolarHBondContact O-N 3.19Å; E82-T85 VanDerWaalsContact O-N 3.11Å; E82-T85 PolarHBondContact O-OG1 3.2Å
83	L	84.9	Confident	84.1	Confident	32 Å²	32	79.5 Å²	79.5	17%	0.168	44%	0.437	C	S	.	.	H	α-helix	trans	-60.7	-24.1	175.7	-75.3	172.7	0	0	0	113.6	V79 E81 M88 E92 L95 L99	V79-L83 HydrophobicContact CG1-CD1 3.93Å; V79-L83 HydrophobicContact CG1-CG 4.34Å; V79-L83 WeakPolarHBondContact O-CB 3.22Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 3.43Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.31Å; L83-M88 HydrophobicContact CB-CE 3.96Å; L83-M88 WeakPolarHBondContact O-CE 3.48Å; L83-M88 WeakPolarHBondContact O-CG 3.38Å; L83-E92 HydrophobicContact CD2-CB 4.15Å; L83-E92 HydrophobicContact CD2-CG 3.89Å; L83-L95 HydrophobicContact CD1-CD2 4.01Å; L83-L95 HydrophobicContact CD1-CG 4.19Å; L83-L99 HydrophobicContact CD1-CD1 4.43Å
84	Q	81.8	Confident	84.1	Confident	120 Å²	120	85.4 Å²	85.4	56%	0.561	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.5	179.6	-71.8	170.3	60.1	0	0	113.6	A80 E81 E82 L96	A80-Q84 WeakPolarHBondContact O-CG 3Å; A80-Q84 PolarHBondContact O-NE2 3.05Å; E81-Q84 WeakPolarHBondContact O-CB 3.26Å; E81-Q84 PolarHBondContact O-N 2.89Å; E81-Q84 VanDerWaalsContact O-N 3.08Å; E82-Q84 PolarHBondContact O-N 2.89Å; E82-Q84 VanDerWaalsContact O-N 3.17Å; Q84-L96 HydrophobicContact CG-CD1 4.18Å; Q84-L96 HydrophobicContact CG-CD2 3.76Å
85	T	77.7	Confident	84.1	Confident	120 Å²	120	86.3 Å²	86.3	74%	0.736	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3	-174.1	63.8	0	0	0	0	115	E82	E82-T85 PolarHBondContact O-N 3.19Å; E82-T85 VanDerWaalsContact O-N 3.11Å; E82-T85 PolarHBondContact O-OG1 3.2Å
86	G	75.9	Confident	84.1	Confident	42 Å²	42	83.1 Å²	83.1	43%	0.433	45%	0.445	S	S	.	.	S	Bend	trans	-144	177	-177	0	0	0	0	0	115.5	M88	G86-M88 PolarHBondContact O-N 3.04Å
87	P	73.3	Confident	84	Confident	137 Å²	137	89.3 Å²	89.3	89%	0.89	47%	0.471	S	S	*	.			trans	-69.8	112.8	175.8	27.6	-31.9	0	0	0	110.8
88	M	78.5	Confident	84.1	Confident	43 Å²	43	89.9 Å²	89.9	21%	0.212	48%	0.476	C	S	.	.			trans	-84.9	132.5	-171.2	-52.9	-175.3	75.7	0	0	113.6	L83 G86 E92 K93 L96	L83-M88 HydrophobicContact CB-CE 3.96Å; L83-M88 WeakPolarHBondContact O-CE 3.48Å; L83-M88 WeakPolarHBondContact O-CG 3.38Å; G86-M88 PolarHBondContact O-N 3.04Å; M88-E92 WeakPolarHBondContact CA-OE2 3.46Å; M88-E92 HydrophobicContact CB-CB 4.23Å; M88-E92 HydrophobicContact CE-CB 3.79Å; M88-E92 VanDerWaalsContact CE-O 3.29Å; M88-E92 WeakPolarHBondContact CE-O 3.37Å; M88-K93 HydrophobicContact CB-CG 3.85Å; M88-K93 HydrophobicContact CE-CG 4.43Å; M88-K93 WeakPolarHBondContact O-CE 3.12Å; M88-K93 HydrophobicContact SD-CG 4.23Å; M88-L96 HydrophobicContact CE-CB 3.92Å; M88-L96 HydrophobicContact CE-CD2 3.77Å; M88-L96 HydrophobicContact CE-CG 4.44Å; M88-L96 HydrophobicContact SD-CD2 3.9Å
89	S	83.1	Confident	84	Confident	49 Å²	49	86.5 Å²	86.5	34%	0.343	46%	0.458	S	S	.	.			trans	-64.7	168.7	163.3	64.7	0	0	0	0	111.9	E91 E92 K93	S89-E91 VanDerWaalsContact C-N 3.33Å; S89-E91 PolarHBondContact O-N 3Å; S89-E92 WeakPolarHBondContact CB-OE2 3.28Å; S89-E92 PolarHBondContact N-OE2 3.32Å; S89-E92 PolarHBondContact O-N 3.45Å; S89-E92 WeakPolarHBondContact OG-CB 3.44Å; S89-E92 WeakPolarHBondContact OG-CG 3.48Å; S89-E92 PolarHBondContact OG-N 3.35Å; S89-E92 PolarHBondContact OG-OE2 3.46Å; S89-K93 WeakPolarHBondContact O-CG 3.45Å; S89-K93 PolarHBondContact O-N 2.88Å
90	T	83.4	Confident	84	Confident	98 Å²	98	86.8 Å²	86.8	60%	0.601	46%	0.46	S	S	*	.	H	α-helix	trans	-61.3	-41.2	178.3	28.6	0	0	0	0	112.3	K93 E94	T90-K93 PolarHBondContact O-N 3.18Å; T90-E94 PolarHBondContact O-N 3.14Å
91	E	84.9	Confident	84.3	Confident	128 Å²	128	87.8 Å²	87.8	60%	0.598	47%	0.466	S	S	*	.	H	α-helix	trans	-69.8	-38.6	-179.2	-65.4	75.7	-174.2	0	0	111.5	S89 K93 E94 L95	S89-E91 VanDerWaalsContact C-N 3.33Å; S89-E91 PolarHBondContact O-N 3Å; E91-K93 VanDerWaalsContact C-N 3.32Å; E91-K93 PolarHBondContact O-N 3.41Å; E91-E94 PolarHBondContact O-N 2.75Å; E91-L95 WeakPolarHBondContact O-CB 3.49Å; E91-L95 PolarHBondContact O-N 3.28Å
92	E	83.6	Confident	84.4	Confident	75 Å²	75	86.1 Å²	86.1	35%	0.35	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-34.6	175.9	-73.3	165.1	152.1	0	0	111.9	L83 M88 S89 L96	L83-E92 HydrophobicContact CD2-CB 4.15Å; L83-E92 HydrophobicContact CD2-CG 3.89Å; M88-E92 WeakPolarHBondContact CA-OE2 3.46Å; M88-E92 HydrophobicContact CB-CB 4.23Å; M88-E92 HydrophobicContact CE-CB 3.79Å; M88-E92 VanDerWaalsContact CE-O 3.29Å; M88-E92 WeakPolarHBondContact CE-O 3.37Å; S89-E92 WeakPolarHBondContact CB-OE2 3.28Å; S89-E92 PolarHBondContact N-OE2 3.32Å; S89-E92 PolarHBondContact O-N 3.45Å; S89-E92 WeakPolarHBondContact OG-CB 3.44Å; S89-E92 WeakPolarHBondContact OG-CG 3.48Å; S89-E92 PolarHBondContact OG-N 3.35Å; S89-E92 PolarHBondContact OG-OE2 3.46Å; E92-L96 VanDerWaalsContact O-CB 3.31Å; E92-L96 WeakPolarHBondContact O-CB 3.38Å; E92-L96 PolarHBondContact O-N 2.84Å
93	K	83.3	Confident	84.7	Confident	122 Å²	122	86.8 Å²	86.8	53%	0.53	47%	0.47	S	S	.	.	H	α-helix	trans	-68	-40.5	175.1	-71.4	174.6	-173.6	174.1	0	111.9	M88 S89 T90 E91 H97	M88-K93 HydrophobicContact CB-CG 3.85Å; M88-K93 HydrophobicContact CE-CG 4.43Å; M88-K93 WeakPolarHBondContact O-CE 3.12Å; M88-K93 HydrophobicContact SD-CG 4.23Å; S89-K93 WeakPolarHBondContact O-CG 3.45Å; S89-K93 PolarHBondContact O-N 2.88Å; T90-K93 PolarHBondContact O-N 3.18Å; E91-K93 VanDerWaalsContact C-N 3.32Å; E91-K93 PolarHBondContact O-N 3.41Å; K93-H97 WeakPolarHBondContact O-CB 3.42Å; K93-H97 PolarHBondContact O-N 3.13Å
94	E	87.9	Confident	84.9	Confident	145 Å²	145	87.7 Å²	87.7	68%	0.678	48%	0.475	S	S	*	.	H	α-helix	trans	-65.7	-43	175.4	-72.5	-175.6	177.2	0	0	111.6	T90 E91 H97 L98	T90-E94 PolarHBondContact O-N 3.14Å; E91-E94 PolarHBondContact O-N 2.75Å; E94-H97 PolarHBondContact O-N 2.81Å; E94-L98 PolarHBondContact O-N 3.03Å
95	L	87.7	Confident	85.2	Confident	78 Å²	78	85.9 Å²	85.9	41%	0.408	47%	0.465	S	S	.	.	H	α-helix	trans	-62.3	-45.2	175.5	-179.8	59.8	0	0	0	111.6	L83 E91 H97 L98 L99	L83-L95 HydrophobicContact CD1-CD2 4.01Å; L83-L95 HydrophobicContact CD1-CG 4.19Å; E91-L95 WeakPolarHBondContact O-CB 3.49Å; E91-L95 PolarHBondContact O-N 3.28Å; L95-H97 VanDerWaalsContact C-N 3.3Å; L95-H97 PolarHBondContact O-N 3.09Å; L95-L98 PolarHBondContact O-N 3.24Å; L95-L99 HydrophobicContact CD1-CD1 4.08Å; L95-L99 HydrophobicContact CD1-CG 4.05Å; L95-L99 HydrophobicContact CG-CD1 3.98Å; L95-L99 HydrophobicContact CG-CG 4.36Å; L95-L99 WeakPolarHBondContact O-CB 3.33Å; L95-L99 WeakPolarHBondContact O-CG 3.26Å; L95-L99 PolarHBondContact O-N 3.3Å
96	L	86.5	Confident	85.7	Confident	26 Å²	26	82.7 Å²	82.7	14%	0.136	45%	0.45	C	S	.	.	H	α-helix	trans	-60.5	-41.3	175.9	-179.6	64.5	0	0	0	111.2	A80 Q84 M88 E92 L98 L99 T100	A80-L96 HydrophobicContact CB-CD1 3.82Å; A80-L96 WeakPolarHBondContact O-CD1 3.22Å; Q84-L96 HydrophobicContact CG-CD1 4.18Å; Q84-L96 HydrophobicContact CG-CD2 3.76Å; M88-L96 HydrophobicContact CE-CB 3.92Å; M88-L96 HydrophobicContact CE-CD2 3.77Å; M88-L96 HydrophobicContact CE-CG 4.44Å; M88-L96 HydrophobicContact SD-CD2 3.9Å; E92-L96 VanDerWaalsContact O-CB 3.31Å; E92-L96 WeakPolarHBondContact O-CB 3.38Å; E92-L96 PolarHBondContact O-N 2.84Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.19Å; L96-L99 PolarHBondContact O-N 2.91Å; L96-T100 HydrophobicContact CD1-CG2 4.03Å; L96-T100 HydrophobicContact CG-CG2 4.48Å; L96-T100 WeakPolarHBondContact O-CB 3.45Å; L96-T100 WeakPolarHBondContact O-CG2 3.35Å; L96-T100 PolarHBondContact O-N 2.81Å; L96-T100 PolarHBondContact O-OG1 3.47Å
97	H	87.6	Confident	86.4	Confident	145 Å²	145	85.1 Å²	85.1	67%	0.671	46%	0.457	S	S	*	.	H	α-helix	trans	-63.1	-39.2	176.4	-171.7	64.1	0	0	0	112.4	K93 E94 L95 T100 S101	K93-H97 WeakPolarHBondContact O-CB 3.42Å; K93-H97 PolarHBondContact O-N 3.13Å; E94-H97 PolarHBondContact O-N 2.81Å; L95-H97 VanDerWaalsContact C-N 3.3Å; L95-H97 PolarHBondContact O-N 3.09Å; H97-T100 PolarHBondContact O-OG1 3.47Å; H97-S101 PolarHBondContact O-N 3.45Å
98	L	89.3	Confident	87.2	Confident	102 Å²	102	80.1 Å²	80.1	53%	0.534	42%	0.423	S	S	.	.	H	α-helix	trans	-68.3	-47.4	177.5	-167.6	73.9	0	0	0	111.9	E94 L95 L96 T100 S101 L104	E94-L98 PolarHBondContact O-N 3.03Å; L95-L98 PolarHBondContact O-N 3.24Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.19Å; L98-T100 VanDerWaalsContact C-N 3.3Å; L98-T100 PolarHBondContact O-N 2.65Å; L98-S101 VanDerWaalsContact O-CB 3.25Å; L98-S101 WeakPolarHBondContact O-CB 3.39Å; L98-S101 PolarHBondContact O-N 3.26Å; L98-S101 VanDerWaalsContact O-N 3.12Å; L98-S101 PolarHBondContact O-OG 3.2Å; L98-L104 HydrophobicContact CD2-CD2 4.49Å; L98-L104 HydrophobicContact CG-CD2 4.03Å; L98-L104 WeakPolarHBondContact O-CD2 3.4Å
99	L	87.9	Confident	87.7	Confident	25 Å²	25	81 Å²	81	13%	0.131	43%	0.432	C	S	.	.	H	α-helix	trans	-65.9	-31.1	178.9	-68	177.2	0	0	0	112.7	A76 V79 L83 L95 L96 S101 L104 K105	A76-L99 HydrophobicContact CB-CD2 4.15Å; V79-L99 HydrophobicContact CB-CD1 4.37Å; V79-L99 HydrophobicContact CG1-CD1 3.83Å; L83-L99 HydrophobicContact CD1-CD1 4.43Å; L95-L99 HydrophobicContact CD1-CD1 4.08Å; L95-L99 HydrophobicContact CD1-CG 4.05Å; L95-L99 HydrophobicContact CG-CD1 3.98Å; L95-L99 HydrophobicContact CG-CG 4.36Å; L95-L99 WeakPolarHBondContact O-CB 3.33Å; L95-L99 WeakPolarHBondContact O-CG 3.26Å; L95-L99 PolarHBondContact O-N 3.3Å; L96-L99 PolarHBondContact O-N 2.91Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-L104 HydrophobicContact CD2-CD2 4.25Å; L99-K105 WeakPolarHBondContact O-CE 3.35Å; L99-K105 WeakPolarHBondContact O-CG 3.41Å
100	T	87.1	Confident	87.9	Confident	57 Å²	57	83 Å²	83	35%	0.35	44%	0.442	S	S	.	.	H	α-helix	trans	-83.4	-7.4	175	52.5	0	0	0	0	113.6	L96 H97 L98	L96-T100 HydrophobicContact CD1-CG2 4.03Å; L96-T100 HydrophobicContact CG-CG2 4.48Å; L96-T100 WeakPolarHBondContact O-CB 3.45Å; L96-T100 WeakPolarHBondContact O-CG2 3.35Å; L96-T100 PolarHBondContact O-N 2.81Å; L96-T100 PolarHBondContact O-OG1 3.47Å; H97-T100 PolarHBondContact O-OG1 3.47Å; L98-T100 VanDerWaalsContact C-N 3.3Å; L98-T100 PolarHBondContact O-N 2.65Å
101	S	93.1	Very high	88.1	Confident	29 Å²	29	81.6 Å²	81.6	20%	0.203	43%	0.429	C	S	.	.			trans	-63.8	134.4	179.5	78.6	0	0	0	0	111.3	H97 L98 L99 H103 L104 K105	H97-S101 PolarHBondContact O-N 3.45Å; L98-S101 VanDerWaalsContact O-CB 3.25Å; L98-S101 WeakPolarHBondContact O-CB 3.39Å; L98-S101 PolarHBondContact O-N 3.26Å; L98-S101 VanDerWaalsContact O-N 3.12Å; L98-S101 PolarHBondContact O-OG 3.2Å; L99-S101 VanDerWaalsContact C-N 3.32Å; S101-H103 PolarHBondContact O-N 3.4Å; S101-L104 PolarHBondContact O-N 3.1Å; S101-L104 VanDerWaalsContact OG-CB 3.24Å; S101-L104 WeakPolarHBondContact OG-CB 3.39Å; S101-L104 PolarHBondContact OG-N 3.22Å; S101-K105 PolarHBondContact O-N 3.45Å
102	P	88.8	Confident	88.3	Confident	95 Å²	95	76 Å²	76	62%	0.617	40%	0.404	S	S	*	.	H	α-helix	trans	-63.8	-31.4	-175.4	23	-32.7	0	0	0	112.4	A106	P102-A106 VanDerWaalsContact O-CB 3.32Å; P102-A106 WeakPolarHBondContact O-CB 3.17Å; P102-A106 PolarHBondContact O-N 2.61Å
103	H	91.5	Very high	88.3	Confident	154 Å²	154	75.2 Å²	75.2	71%	0.713	40%	0.404	S	S	*	.	H	α-helix	trans	-68.2	-43.7	178.4	-60.5	93.4	0	0	0	111.8	S101 A106 V107	S101-H103 PolarHBondContact O-N 3.4Å; H103-A106 PolarHBondContact O-N 2.72Å; H103-V107 WeakPolarHBondContact O-CG2 3.32Å; H103-V107 PolarHBondContact O-N 3.32Å
104	L	89.7	Confident	88.2	Confident	52 Å²	52	73.5 Å²	73.5	27%	0.272	40%	0.403	S	S	.	.	H	α-helix	trans	-69.8	-41.1	178.8	-171.8	61.5	0	0	0	111.2	L98 L99 S101 A106 V107 L108	L98-L104 HydrophobicContact CD2-CD2 4.49Å; L98-L104 HydrophobicContact CG-CD2 4.03Å; L98-L104 WeakPolarHBondContact O-CD2 3.4Å; L99-L104 HydrophobicContact CD2-CD2 4.25Å; S101-L104 PolarHBondContact O-N 3.1Å; S101-L104 VanDerWaalsContact OG-CB 3.24Å; S101-L104 WeakPolarHBondContact OG-CB 3.39Å; S101-L104 PolarHBondContact OG-N 3.22Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 3.16Å; L104-V107 PolarHBondContact O-N 3.33Å; L104-L108 HydrophobicContact CG-CD1 4.27Å; L104-L108 HydrophobicContact CG-CG 4.48Å; L104-L108 WeakPolarHBondContact O-CG 3.15Å; L104-L108 PolarHBondContact O-N 3.18Å
105	K	89	Confident	87.9	Confident	81 Å²	81	67.1 Å²	67.1	35%	0.352	38%	0.376	S	S	.	.	H	α-helix	trans	-57.9	-43.8	172.9	-74.7	-176.2	165.1	-177.1	0	112.4	L99 S101 L108 S109	L99-K105 WeakPolarHBondContact O-CE 3.35Å; L99-K105 WeakPolarHBondContact O-CG 3.41Å; S101-K105 PolarHBondContact O-N 3.45Å; K105-L108 PolarHBondContact O-N 2.97Å; K105-S109 WeakPolarHBondContact O-CB 3.5Å; K105-S109 PolarHBondContact O-N 3.29Å
106	A	88.6	Confident	87.6	Confident	53 Å²	53	67.8 Å²	67.8	44%	0.438	38%	0.377	S	S	.	.	H	α-helix	trans	-63	-42	175.9	0	0	0	0	0	112	P102 H103 L104 S109 V110	P102-A106 VanDerWaalsContact O-CB 3.32Å; P102-A106 WeakPolarHBondContact O-CB 3.17Å; P102-A106 PolarHBondContact O-N 2.61Å; H103-A106 PolarHBondContact O-N 2.72Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 3.16Å; A106-S109 PolarHBondContact O-N 2.92Å; A106-V110 VanDerWaalsContact O-CG2 3.3Å; A106-V110 WeakPolarHBondContact O-CG2 3.36Å; A106-V110 PolarHBondContact O-N 2.7Å
107	V	90.5	Very high	87	Confident	93 Å²	93	74 Å²	74	56%	0.564	40%	0.402	S	S	*	.	H	α-helix	trans	-63.8	-43.3	177.1	172.9	0	0	0	0	111.4	H103 L104 V110 H111	H103-V107 WeakPolarHBondContact O-CG2 3.32Å; H103-V107 PolarHBondContact O-N 3.32Å; L104-V107 PolarHBondContact O-N 3.33Å; V107-V110 PolarHBondContact O-N 2.95Å; V107-H111 WeakPolarHBondContact O-CB 3.48Å; V107-H111 PolarHBondContact O-N 3.43Å
108	L	89.6	Confident	86.3	Confident	33 Å²	33	72 Å²	72	17%	0.173	40%	0.396	C	S	.	.	H	α-helix	trans	-67.2	-37.9	177.5	-67.2	175.8	0	0	0	112.1	A72 A76 L104 K105 H111 D112	A72-L108 HydrophobicContact CB-CD2 3.99Å; A76-L108 HydrophobicContact CB-CD1 3.51Å; L104-L108 HydrophobicContact CG-CD1 4.27Å; L104-L108 HydrophobicContact CG-CG 4.48Å; L104-L108 WeakPolarHBondContact O-CG 3.15Å; L104-L108 PolarHBondContact O-N 3.18Å; K105-L108 PolarHBondContact O-N 2.97Å; L108-H111 WeakPolarHBondContact O-CB 3.27Å; L108-H111 PolarHBondContact O-N 2.92Å; L108-D112 VanDerWaalsContact O-CG 3.31Å; L108-D112 PolarHBondContact O-N 2.92Å
109	S	87.6	Confident	85.3	Confident	60 Å²	60	73 Å²	73	42%	0.42	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-47.3	173.7	173.3	0	0	0	0	111.7	K105 A106 H111 D112 T113	K105-S109 WeakPolarHBondContact O-CB 3.5Å; K105-S109 PolarHBondContact O-N 3.29Å; A106-S109 PolarHBondContact O-N 2.92Å; S109-H111 VanDerWaalsContact C-N 3.33Å; S109-H111 PolarHBondContact O-N 3.05Å; S109-D112 PolarHBondContact O-N 3.42Å; S109-T113 PolarHBondContact O-N 2.94Å; S109-T113 PolarHBondContact O-OG1 3Å
110	V	87.8	Confident	84.3	Confident	91 Å²	91	77 Å²	77	55%	0.552	42%	0.419	S	S	*	.	H	α-helix	trans	-63.8	-40.7	176.4	171.6	0	0	0	0	111.1	A106 V107 D112 T113 V114	A106-V110 VanDerWaalsContact O-CG2 3.3Å; A106-V110 WeakPolarHBondContact O-CG2 3.36Å; A106-V110 PolarHBondContact O-N 2.7Å; V107-V110 PolarHBondContact O-N 2.95Å; V110-D112 VanDerWaalsContact C-N 3.34Å; V110-D112 PolarHBondContact O-N 3.27Å; V110-T113 PolarHBondContact O-N 3.46Å; V110-V114 HydrophobicContact CG1-CG2 4.43Å; V110-V114 WeakPolarHBondContact O-CG2 3.17Å; V110-V114 PolarHBondContact O-N 3.21Å
111	H	87.8	Confident	83	Confident	69 Å²	69	80.3 Å²	80.3	32%	0.319	44%	0.441	S	S	.	.	H	α-helix	trans	-55.6	-49.9	173	166.6	-85.5	0	0	0	111	L69 V107 L108 S109 V114 A115	L69-H111 PolarHBondContact O-CE1 3.38Å; V107-H111 WeakPolarHBondContact O-CB 3.48Å; V107-H111 PolarHBondContact O-N 3.43Å; L108-H111 WeakPolarHBondContact O-CB 3.27Å; L108-H111 PolarHBondContact O-N 2.92Å; S109-H111 VanDerWaalsContact C-N 3.33Å; S109-H111 PolarHBondContact O-N 3.05Å; H111-V114 PolarHBondContact O-N 2.94Å; H111-A115 WeakPolarHBondContact O-CB 3.44Å; H111-A115 PolarHBondContact O-N 3.1Å
112	D	89.3	Confident	81.7	Confident	12 Å²	12	85.4 Å²	85.4	6%	0.064	47%	0.471	C	S	.	.	H	α-helix	trans	-65.7	-40	-178.8	-70.5	-4.1	0	0	0	111.8	S71 A72 S73 L108 S109 V110 V114 A115 Q116	S71-D112 VanDerWaalsContact C-OD2 3.25Å; S71-D112 WeakPolarHBondContact CA-OD2 3.32Å; A72-D112 WeakPolarHBondContact CB-OD1 3.44Å; A72-D112 VanDerWaalsContact N-CG 3.31Å; A72-D112 PolarHBondContact N-OD1 3.49Å; A72-D112 PolarHBondContact N-OD2 2.92Å; S73-D112 WeakPolarHBondContact CB-OD2 3.47Å; S73-D112 PolarHBondContact N-OD2 2.88Å; L108-D112 VanDerWaalsContact O-CG 3.31Å; L108-D112 PolarHBondContact O-N 2.92Å; S109-D112 PolarHBondContact O-N 3.42Å; V110-D112 VanDerWaalsContact C-N 3.34Å; V110-D112 PolarHBondContact O-N 3.27Å; D112-V114 VanDerWaalsContact C-N 3.35Å; D112-V114 PolarHBondContact O-N 3.42Å; D112-A115 PolarHBondContact O-N 3.31Å; D112-Q116 VanDerWaalsContact O-CB 3.26Å; D112-Q116 WeakPolarHBondContact O-CB 3.39Å; D112-Q116 VanDerWaalsContact O-CG 3.22Å; D112-Q116 WeakPolarHBondContact O-CG 3.4Å; D112-Q116 PolarHBondContact O-N 3.06Å
113	T	82.9	Confident	80	Confident	57 Å²	57	88.1 Å²	88.1	35%	0.35	48%	0.479	S	S	.	.	H	α-helix	trans	-58.6	-44.5	173.6	-54.7	0	0	0	0	112.1	S109 V110 K117 N118	S109-T113 PolarHBondContact O-N 2.94Å; S109-T113 PolarHBondContact O-OG1 3Å; V110-T113 PolarHBondContact O-N 3.46Å; T113-K117 PolarHBondContact O-N 3.32Å; T113-N118 HydrophobicContact CG2-CB 4.38Å; T113-N118 WeakPolarHBondContact CG2-O 3.49Å; T113-N118 PolarHBondContact O-N 3.16Å
114	V	82.3	Confident	78.7	Confident	86 Å²	86	85.9 Å²	85.9	52%	0.521	48%	0.478	S	S	.	.	H	α-helix	trans	-71.5	-42.7	178.3	175.2	0	0	0	0	111.3	V110 H111 D112 Q116 K117	V110-V114 HydrophobicContact CG1-CG2 4.43Å; V110-V114 WeakPolarHBondContact O-CG2 3.17Å; V110-V114 PolarHBondContact O-N 3.21Å; H111-V114 PolarHBondContact O-N 2.94Å; D112-V114 VanDerWaalsContact C-N 3.35Å; D112-V114 PolarHBondContact O-N 3.42Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.04Å; V114-K117 PolarHBondContact O-N 3.46Å; V114-K117 VanDerWaalsContact O-N 3.11Å
115	A	81.9	Confident	77.2	Confident	12 Å²	12	89.4 Å²	89.4	10%	0.099	50%	0.504	C	S	.	.	H	α-helix	trans	-66	-32.5	-179.2	0	0	0	0	0	112.9	P67 H70 H111 D112 K117	P67-A115 HydrophobicContact CB-CB 3.49Å; P67-A115 VanDerWaalsContact CB-CB 3.49Å; P67-A115 HydrophobicContact CG-CB 3.78Å; H70-A115 PolarHBondContact ND1-O 3.31Å; H111-A115 WeakPolarHBondContact O-CB 3.44Å; H111-A115 PolarHBondContact O-N 3.1Å; D112-A115 PolarHBondContact O-N 3.31Å; A115-K117 VanDerWaalsContact C-N 3.33Å
116	Q	80.9	Confident	75.1	Confident	92 Å²	92	91.9 Å²	91.9	43%	0.43	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.4	175.3	-66.1	175.8	11.9	0	0	113.1	H70 D112 V114 N118	H70-Q116 HydrophobicContact CB-CG 4.11Å; H70-Q116 WeakPolarHBondContact O-CG 3.47Å; H70-Q116 PolarHBondContact O-NE2 2.94Å; D112-Q116 VanDerWaalsContact O-CB 3.26Å; D112-Q116 WeakPolarHBondContact O-CB 3.39Å; D112-Q116 VanDerWaalsContact O-CG 3.22Å; D112-Q116 WeakPolarHBondContact O-CG 3.4Å; D112-Q116 PolarHBondContact O-N 3.06Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.04Å; Q116-N118 HydrophobicContact CB-CB 4.42Å; Q116-N118 PolarHBondContact O-N 3.07Å; Q116-N118 PolarHBondContact OE1-ND2 3.47Å
117	K	74.5	Confident	74.1	Confident	155 Å²	155	93 Å²	93	67%	0.674	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	26.3	-173.2	-55.8	-178.8	177.6	-179.8	0	114.4	T113 V114 A115 F119	T113-K117 PolarHBondContact O-N 3.32Å; V114-K117 PolarHBondContact O-N 3.46Å; V114-K117 VanDerWaalsContact O-N 3.11Å; A115-K117 VanDerWaalsContact C-N 3.33Å; K117-F119 VanDerWaalsContact CA-CE1 3.48Å; K117-F119 HydrophobicContact CB-CE1 3.96Å; K117-F119 HydrophobicContact CB-CZ 4.23Å; K117-F119 HydrophobicContact CG-CE1 4.21Å; K117-F119 HydrophobicContact CG-CZ 4.48Å; K117-F119 PolarHBondContact O-N 3.41Å; K117-F119 VanDerWaalsContact O-N 3.09Å
118	N	71.3	Confident	72.7	Confident	103 Å²	103	96 Å²	96	55%	0.551	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	37.8	-179.6	-75.8	-18.5	0	0	0	112.3	T113 Q116	T113-N118 HydrophobicContact CG2-CB 4.38Å; T113-N118 WeakPolarHBondContact CG2-O 3.49Å; T113-N118 PolarHBondContact O-N 3.16Å; Q116-N118 HydrophobicContact CB-CB 4.42Å; Q116-N118 PolarHBondContact O-N 3.07Å; Q116-N118 PolarHBondContact OE1-ND2 3.47Å
119	F	70.2	Confident	71	Confident	124 Å²	124	101.4 Å²	101.4	54%	0.544	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.9	-6.4	177.5	51.7	-104.4	0	0	0	113.1	K117	K117-F119 VanDerWaalsContact CA-CE1 3.48Å; K117-F119 HydrophobicContact CB-CE1 3.96Å; K117-F119 HydrophobicContact CB-CZ 4.23Å; K117-F119 HydrophobicContact CG-CE1 4.21Å; K117-F119 HydrophobicContact CG-CZ 4.48Å; K117-F119 PolarHBondContact O-N 3.41Å; K117-F119 VanDerWaalsContact O-N 3.09Å
120	D	65.3	Low	69.1	Low	110 Å²	110	103.1 Å²	103.1	59%	0.588	57%	0.565	S	S	*	*	S	Bend	trans	-74.1	143.4	175	-72.5	-33.2	0	0	0	110.6	V122	D120-V122 PolarHBondContact O-N 2.95Å
121	P	60.8	Low	67.2	Low	125 Å²	125	106.4 Å²	106.4	81%	0.812	58%	0.575	S	S	*	*			trans	-62.7	111.6	177	24.8	-31.8	0	0	0	109.9
122	V	65.6	Low	65.3	Low	137 Å²	137	110.8 Å²	110.8	83%	0.83	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-76.7	125.1	174.7	-176.3	0	0	0	0	108.4	D120	D120-V122 PolarHBondContact O-N 2.95Å
123	L	52.4	Low	63.3	Low	152 Å²	152	115.8 Å²	115.8	80%	0.796	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-62.1	145	174.3	-78	163.5	0	0	0	110.1
124	P	64.8	Low	61.5	Low	107 Å²	107	119.6 Å²	119.6	70%	0.695	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-55.2	142	173.6	-18.7	29.1	0	0	0	110.6	L126	P124-L126 PolarHBondContact O-N 3.09Å
125	P	57.3	Low	59.9	Low	126 Å²	126	123 Å²	123	82%	0.818	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-59	135.6	171.6	24.9	-31.4	0	0	0	109.3
126	L	46.4	Very low	58.5	Low	133 Å²	133	129.5 Å²	129.5	70%	0.696	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-65.1	141.8	179	-73.4	162.3	0	0	0	109.8	P124	P124-L126 PolarHBondContact O-N 3.09Å
127	P	66.3	Low	57.5	Low	76 Å²	76	129.8 Å²	129.8	49%	0.494	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-58.6	145.2	173.9	-21.4	30.9	0	0	0	112.3	D129 F130	P127-D129 PolarHBondContact O-N 3.01Å; P127-F130 HydrophobicContact CB-CD2 3.91Å; P127-F130 HydrophobicContact CB-CE2 4.15Å; P127-F130 HydrophobicContact CG-CD2 3.93Å; P127-F130 HydrophobicContact CG-CE2 3.77Å; P127-F130 WeakPolarHBondContact O-CB 3.45Å; P127-F130 WeakPolarHBondContact O-CD2 3.45Å; P127-F130 PolarHBondContact O-N 3.36Å; P127-F130 VanDerWaalsContact O-N 3.09Å
128	D	61.4	Low	57.2	Low	157 Å²	157	127 Å²	127	84%	0.84	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-61	-14.1	-176.1	-65	-40.7	0	0	0	114.4	F130	D128-F130 VanDerWaalsContact C-N 3.28Å; D128-F130 PolarHBondContact O-N 3.48Å
129	D	55	Low	57.7	Low	145 Å²	145	125 Å²	125	78%	0.775	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-81.3	-0.3	176.6	-63.8	-28.2	0	0	0	113.6	P127	P127-D129 PolarHBondContact O-N 3.01Å
130	F	46.8	Very low	58.4	Low	96 Å²	96	122.6 Å²	122.6	42%	0.421	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-86	-5	-178.5	-87	-92.6	0	0	0	114.8	P127 D128 E133	P127-F130 HydrophobicContact CB-CD2 3.91Å; P127-F130 HydrophobicContact CB-CE2 4.15Å; P127-F130 HydrophobicContact CG-CD2 3.93Å; P127-F130 HydrophobicContact CG-CE2 3.77Å; P127-F130 WeakPolarHBondContact O-CB 3.45Å; P127-F130 WeakPolarHBondContact O-CD2 3.45Å; P127-F130 PolarHBondContact O-N 3.36Å; P127-F130 VanDerWaalsContact O-N 3.09Å; D128-F130 VanDerWaalsContact C-N 3.28Å; D128-F130 PolarHBondContact O-N 3.48Å; F130-E133 PolarHBondContact O-N 3.43Å
131	E	48.8	Very low	59.5	Low	160 Å²	160	123.1 Å²	123.1	75%	0.748	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-73.1	-25.9	179.5	-72.1	-168.7	161.1	0	0	113.2	E133 L134	E131-E133 VanDerWaalsContact C-N 3.34Å; E131-L134 HydrophobicContact CB-CD1 4.48Å; E131-L134 HydrophobicContact CG-CD1 4.36Å
132	D	48.2	Very low	60.8	Low	161 Å²	161	117.3 Å²	117.3	86%	0.861	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-81.6	-8.9	177.5	-73.9	-28.2	0	0	0	113.7
133	E	46.7	Very low	61.8	Low	117 Å²	117	118.7 Å²	118.7	55%	0.547	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-105.2	3.7	175.7	-77.4	-171.9	173.6	0	0	113.6	F130 E131 D135 E136	F130-E133 PolarHBondContact O-N 3.43Å; E131-E133 VanDerWaalsContact C-N 3.34Å; E133-D135 PolarHBondContact O-N 3.14Å; E133-D135 VanDerWaalsContact O-N 3.14Å; E133-E136 PolarHBondContact O-N 3.13Å
134	L	44.3	Very low	63.3	Low	137 Å²	137	111.7 Å²	111.7	72%	0.717	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-7.4	176.4	-76.2	166.4	0	0	0	113.9	E131	E131-L134 HydrophobicContact CB-CD1 4.48Å; E131-L134 HydrophobicContact CG-CD1 4.36Å
135	D	48.6	Very low	64.1	Low	157 Å²	157	111.1 Å²	111.1	84%	0.84	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	0.6	170.2	-76.3	-19.2	0	0	0	113.3	E133 E137	E133-D135 PolarHBondContact O-N 3.14Å; E133-D135 VanDerWaalsContact O-N 3.14Å; D135-E137 VanDerWaalsContact C-N 3.29Å; D135-E137 PolarHBondContact O-N 3.14Å
136	E	53.1	Low	64.9	Low	149 Å²	149	105.7 Å²	105.7	70%	0.696	54%	0.542	S	S	*	.	S	Bend	trans	-74	85.5	168.2	-76	-154.4	156.2	0	0	110.5	E133 S138	E133-E136 PolarHBondContact O-N 3.13Å; E136-S138 PolarHBondContact O-N 3.03Å; E136-S138 VanDerWaalsContact O-N 3.13Å
137	E	59.8	Low	66.1	Low	99 Å²	99	105 Å²	105	46%	0.463	54%	0.539	S	S	.	.			trans	-34.7	117.8	166	-74	171.5	135.4	0	0	111	D135 V139 R188 I219	D135-E137 VanDerWaalsContact C-N 3.29Å; D135-E137 PolarHBondContact O-N 3.14Å; E137-V139 WeakPolarHBondContact O-CG2 3.42Å; E137-V139 PolarHBondContact O-N 3.28Å; E137-R188 IonicContact OE2-CZ 2.81Å; E137-R188 IonicContact OE2-NH2 2.79Å; E137-R188 PolarHBondContact OE2-NH2 2.66Å; E137-I219 HydrophobicContact CB-CD1 3.84Å; E137-I219 HydrophobicContact CB-CG1 4.35Å; E137-I219 HydrophobicContact CB-CG2 3.79Å; E137-I219 HydrophobicContact CG-CD1 4.49Å; E137-I219 HydrophobicContact CG-CG2 4.41Å; E137-I219 WeakPolarHBondContact OE2-CD1 3.37Å
138	S	68.9	Low	66.4	Low	95 Å²	95	109.6 Å²	109.6	66%	0.664	55%	0.551	S	S	*	*			trans	-51.5	109.9	-172.5	62.1	0	0	0	0	111.6	E136 P220	E136-S138 PolarHBondContact O-N 3.03Å; E136-S138 VanDerWaalsContact O-N 3.13Å; S138-P220 VanDerWaalsContact O-CD 3.25Å; S138-P220 WeakPolarHBondContact O-CD 3.04Å
139	V	80.9	Confident	67.1	Low	63 Å²	63	104.3 Å²	104.3	38%	0.382	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-88.7	129	-172.7	-173.7	0	0	0	0	111	E137 K217 I219	E137-V139 WeakPolarHBondContact O-CG2 3.42Å; E137-V139 PolarHBondContact O-N 3.28Å; V139-K217 HydrophobicContact CG1-CB 4.42Å; V139-K217 HydrophobicContact CG1-CD 3.93Å; V139-K217 HydrophobicContact CG1-CG 3.14Å; V139-I219 HydrophobicContact CG2-CG1 4.48Å
140	K	86	Confident	68.4	Low	72 Å²	72	100.4 Å²	100.4	31%	0.313	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.5	174.2	-174.1	-174	-178.5	-171	0	110.3	V142 L180 I218	K140-V142 HydrophobicContact CD-CG1 3.94Å; K140-V142 HydrophobicContact CG-CG1 3.92Å; K140-L180 PolarHBondContact NZ-O 2.68Å; K140-I218 HydrophobicContact CB-CG1 4.04Å; K140-I218 HydrophobicContact CD-CD1 4.32Å; K140-I218 HydrophobicContact CD-CG1 4.5Å; K140-I218 PolarHBondContact N-O 2.93Å; K140-I218 WeakPolarHBondContact O-CG1 3.44Å; K140-I218 PolarHBondContact O-N 3.18Å
141	I	87.1	Confident	70.2	Confident	121 Å²	121	96.6 Å²	96.6	62%	0.621	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.3	172.8	-58.2	175.8	0	0	0	108.7	T215 L216 K217	I141-T215 HydrophobicContact CG2-CG2 3.55Å; I141-L216 WeakPolarHBondContact CA-O 3.36Å; I141-K217 HydrophobicContact CG1-CG 4.45Å
142	V	87.8	Confident	71.9	Confident	3 Å²	3	89.2 Å²	89.2	2%	0.018	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.9	179.5	-60.4	0	0	0	0	110.6	K140 L144 L180 V181 T215 L216 I218	K140-V142 HydrophobicContact CD-CG1 3.94Å; K140-V142 HydrophobicContact CG-CG1 3.92Å; V142-L144 HydrophobicContact CG2-CD1 3.98Å; V142-L180 HydrophobicContact CB-CB 4.16Å; V142-L180 HydrophobicContact CB-CD1 4.36Å; V142-L180 HydrophobicContact CG1-CB 3.94Å; V142-V181 HydrophobicContact CG2-CG2 4.16Å; V142-T215 CarbonylContact O-C 3.54Å; V142-T215 WeakPolarHBondContact O-CA 3.35Å; V142-L216 HydrophobicContact CG2-CB 3.61Å; V142-L216 HydrophobicContact CG2-CD1 4.1Å; V142-L216 HydrophobicContact CG2-CG 4.16Å; V142-L216 PolarHBondContact N-O 3.12Å; V142-L216 PolarHBondContact O-N 2.83Å; V142-I218 HydrophobicContact CG1-CD1 3.96Å; V142-I218 HydrophobicContact CG1-CG1 4.4Å; V142-I218 HydrophobicContact CG2-CD1 4.13Å; V142-I218 HydrophobicContact CG2-CG1 4.47Å
143	R	86.7	Confident	73.9	Confident	167 Å²	167	83 Å²	83	63%	0.63	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	117.3	176.8	-170.6	173.4	168.3	164.5	2	109.4	S213 I214	R143-S213 PolarHBondContact NH2-OG 2.84Å; R143-S213 VanDerWaalsContact NH2-OG 3.14Å; R143-I214 CarbonylContact C-O 3.59Å; R143-I214 WeakPolarHBondContact CA-O 3.25Å
144	L	84.2	Confident	75.8	Confident	4 Å²	4	78.8 Å²	78.8	2%	0.021	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.5	-177.1	-70.6	131.2	0	0	0	110	V142 L151 S178 V181 S213 I214 L216	V142-L144 HydrophobicContact CG2-CD1 3.98Å; L144-L151 HydrophobicContact CB-CD1 4.09Å; L144-L151 HydrophobicContact CD1-CD1 4.32Å; L144-L151 HydrophobicContact CD2-CD1 4.21Å; L144-L151 HydrophobicContact CG-CD1 4.45Å; L144-S178 WeakPolarHBondContact CD2-OG 3.49Å; L144-V181 HydrophobicContact CD1-CG2 3.86Å; L144-V181 HydrophobicContact CD2-CG2 4.47Å; L144-S213 CarbonylContact O-C 3.52Å; L144-S213 VanDerWaalsContact O-CA 3.29Å; L144-S213 WeakPolarHBondContact O-CA 3.39Å; L144-I214 PolarHBondContact N-O 3.47Å; L144-I214 PolarHBondContact O-N 3.24Å; L144-L216 HydrophobicContact CD1-CD1 3.39Å; L144-L216 HydrophobicContact CD1-CG 3.97Å
145	V	82.3	Confident	78	Confident	96 Å²	96	74.2 Å²	74.2	58%	0.582	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.9	173.7	-177.7	0	0	0	0	109.2
146	K	74.4	Confident	79.9	Confident	11 Å²	11	73.5 Å²	73.5	5%	0.048	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.6	-176.4	-172.9	-170.2	172.2	-159	0	111	E149 L207 G212 I214	K146-E149 WeakPolarHBondContact CD-O 3.29Å; K146-E149 WeakPolarHBondContact CE-O 3.38Å; K146-E149 WeakPolarHBondContact CG-O 3.12Å; K146-L207 PolarHBondContact NZ-O 3.23Å; K146-G212 PolarHBondContact N-O 3.01Å; K146-G212 PolarHBondContact O-N 2.93Å; K146-I214 HydrophobicContact CB-CD1 3.94Å; K146-I214 HydrophobicContact CD-CD1 3.53Å; K146-I214 HydrophobicContact CG-CD1 4.35Å
147	N	70.5	Confident	81.5	Confident	119 Å²	119	72.4 Å²	72.4	64%	0.636	36%	0.359	S	S	*	.			trans	-106.2	73.4	-177.4	-71.9	-11	0	0	0	112.1	E149	N147-E149 PolarHBondContact O-N 2.76Å
148	K	72.2	Confident	82.7	Confident	173 Å²	173	69.9 Å²	69.9	75%	0.752	35%	0.348	S	S	*	.	S	Bend	trans	53.4	-14.3	-176.4	-65.1	-175.1	-180	-179.8	0	116.7
149	E	76.9	Confident	83.2	Confident	46 Å²	46	74.7 Å²	74.7	22%	0.215	36%	0.36	C	S	.	.	S	Bend	trans	-81.6	148.2	174.3	65.3	174.2	174.7	0	0	110.6	K146 N147 R177	K146-E149 WeakPolarHBondContact CD-O 3.29Å; K146-E149 WeakPolarHBondContact CE-O 3.38Å; K146-E149 WeakPolarHBondContact CG-O 3.12Å; N147-E149 PolarHBondContact O-N 2.76Å; E149-R177 IonicContact OE1-CZ 3.8Å; E149-R177 IonicContact OE1-NH1 3.15Å; E149-R177 PolarHBondContact OE1-NH1 3.11Å; E149-R177 VanDerWaalsContact OE1-NH1 3.11Å; E149-R177 IonicContact OE1-NH2 2.98Å; E149-R177 PolarHBondContact OE1-NH2 3.41Å; E149-R177 IonicContact OE2-NH1 2.71Å
150	P	82.2	Confident	83.1	Confident	62 Å²	62	76.1 Å²	76.1	40%	0.403	38%	0.379	S	S	.	.			trans	-57.3	151.4	172.5	25.6	-35.2	0	0	0	111.8	G152 R286	P150-G152 PolarHBondContact O-N 2.87Å; P150-R286 VanDerWaalsContact CG-CZ 3.5Å
151	L	84.3	Confident	82.8	Confident	17 Å²	17	77.4 Å²	77.4	9%	0.089	39%	0.393	C	S	.	.			trans	-58	-27.2	-175.8	-167.6	69.7	0	0	0	112.7	L144 A174 A175 L216	L144-L151 HydrophobicContact CB-CD1 4.09Å; L144-L151 HydrophobicContact CD1-CD1 4.32Å; L144-L151 HydrophobicContact CD2-CD1 4.21Å; L144-L151 HydrophobicContact CG-CD1 4.45Å; L151-A174 HydrophobicContact CD1-CB 4.2Å; L151-A174 PolarHBondContact O-N 2.94Å; L151-A175 HydrophobicContact CG-CB 4.21Å; L151-A175 PolarHBondContact O-N 2.79Å; L151-L216 HydrophobicContact CD2-CD1 4.19Å
152	G	85.9	Confident	82.5	Confident	4 Å²	4	72.4 Å²	72.4	4%	0.041	37%	0.371	C	S	.	.	S	Bend	trans	82	36.7	-178.7	0	0	0	0	0	112.5	P150 M170	P150-G152 PolarHBondContact O-N 2.87Å; G152-M170 WeakPolarHBondContact O-CA 3.34Å; G152-M170 WeakPolarHBondContact O-CB 3.32Å; G152-M170 PolarHBondContact O-N 2.68Å
153	A	88.9	Confident	82.3	Confident	31 Å²	31	72.7 Å²	72.7	26%	0.256	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.6	168.6	0	0	0	0	0	108.6	V166 R168 I169 A175	A153-V166 HydrophobicContact CB-CG1 4.4Å; A153-R168 CarbonylContact C-O 3.58Å; A153-R168 VanDerWaalsContact CA-O 3.25Å; A153-R168 WeakPolarHBondContact CA-O 3.48Å; A153-I169 HydrophobicContact CB-CD1 3.76Å; A153-A175 HydrophobicContact CB-CB 4.26Å
154	T	87.5	Confident	82.5	Confident	28 Å²	28	64.8 Å²	64.8	17%	0.172	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134	171.8	63.2	0	0	0	0	109	A167 R168	T154-A167 PolarHBondContact O-N 2.81Å; T154-R168 PolarHBondContact N-O 3.5Å; T154-R168 PolarHBondContact O-N 3.22Å; T154-R168 WeakPolarHBondContact OG1-CB 3.1Å; T154-R168 PolarHBondContact OG1-N 3.04Å
155	I	89.6	Confident	82.7	Confident	41 Å²	41	66 Å²	66	21%	0.21	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	148	178.2	55.9	174.6	0	0	0	110.2	V164 I165 P200 I203	I155-V164 HydrophobicContact CB-CG1 4Å; I155-V164 HydrophobicContact CD1-CG1 4.18Å; I155-V164 HydrophobicContact CG2-CG1 4.35Å; I155-I165 WeakPolarHBondContact CA-O 3.47Å; I155-P200 HydrophobicContact CD1-CB 4.34Å; I155-P200 HydrophobicContact CG1-CB 4.35Å; I155-I203 HydrophobicContact CD1-CB 3.67Å; I155-I203 HydrophobicContact CD1-CD1 4.17Å; I155-I203 HydrophobicContact CD1-CG2 3.51Å
156	R	88.2	Confident	83.1	Confident	142 Å²	142	61.8 Å²	61.8	54%	0.536	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.3	175	162.1	171.7	64.1	154.2	0.9	107.8	I165 A167	R156-I165 HydrophobicContact CB-CG1 4.29Å; R156-I165 HydrophobicContact CG-CG1 4.46Å; R156-I165 PolarHBondContact N-O 2.84Å; R156-I165 WeakPolarHBondContact O-CG1 3.35Å; R156-I165 PolarHBondContact O-N 2.9Å; R156-A167 HydrophobicContact CB-CB 3.85Å
157	R	88.1	Confident	83.7	Confident	127 Å²	127	63 Å²	63	48%	0.479	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.6	165.1	-164.9	174.2	-173.2	-138.7	2.1	108.8	G162 A163 P200	R157-G162 PolarHBondContact NE-O 2.89Å; R157-A163 WeakPolarHBondContact CA-O 3.19Å; R157-P200 HydrophobicContact CB-CG 4.27Å
158	D	84.6	Confident	84.6	Confident	46 Å²	46	58.9 Å²	58.9	25%	0.246	31%	0.312	C	S	.	.			trans	-72.8	135	172.5	-178	36.2	0	0	0	110	T161 G162 A163 I165	D158-T161 WeakPolarHBondContact CB-OG1 3.19Å; D158-T161 WeakPolarHBondContact OD2-CB 3.48Å; D158-T161 WeakPolarHBondContact OD2-CG2 3.41Å; D158-T161 PolarHBondContact OD2-N 2.91Å; D158-T161 VanDerWaalsContact OD2-N 3.13Å; D158-T161 PolarHBondContact OD2-OG1 2.8Å; D158-G162 WeakPolarHBondContact O-CA 3.32Å; D158-G162 PolarHBondContact O-N 2.94Å; D158-A163 PolarHBondContact N-O 3.42Å; D158-I165 HydrophobicContact CB-CD1 4.41Å
159	E	78.9	Confident	85.4	Confident	195 Å²	195	51.4 Å²	51.4	91%	0.911	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-29.1	-175.5	-68.2	-177.9	177.9	0	0	111.9
160	A	79.1	Confident	85.9	Confident	94 Å²	94	49.4 Å²	49.4	78%	0.777	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-49.9	-178.5	0	0	0	0	0	112.1
161	T	80.1	Confident	86.1	Confident	99 Å²	99	49.1 Å²	49.1	61%	0.607	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-18.7	-176.4	59.8	0	0	0	0	113.4	D158 A163	D158-T161 WeakPolarHBondContact CB-OG1 3.19Å; D158-T161 WeakPolarHBondContact OD2-CB 3.48Å; D158-T161 WeakPolarHBondContact OD2-CG2 3.41Å; D158-T161 PolarHBondContact OD2-N 2.91Å; D158-T161 VanDerWaalsContact OD2-N 3.13Å; D158-T161 PolarHBondContact OD2-OG1 2.8Å; T161-A163 PolarHBondContact O-N 2.99Å; T161-A163 WeakPolarHBondContact OG1-CB 3.32Å; T161-A163 PolarHBondContact OG1-N 3.25Å
162	G	80.1	Confident	86.1	Confident	16 Å²	16	49 Å²	49	17%	0.165	26%	0.264	C	S	.	.			trans	72.3	0.4	-172	0	0	0	0	0	114.1	R157 D158	R157-G162 PolarHBondContact NE-O 2.89Å; D158-G162 WeakPolarHBondContact O-CA 3.32Å; D158-G162 PolarHBondContact O-N 2.94Å
163	A	84.7	Confident	86	Confident	8 Å²	8	48.8 Å²	48.8	7%	0.066	26%	0.262	C	S	.	.			trans	-73.7	154.6	-178.3	0	0	0	0	0	112.4	R157 D158 T161 E186	R157-A163 WeakPolarHBondContact CA-O 3.19Å; D158-A163 PolarHBondContact N-O 3.42Å; T161-A163 PolarHBondContact O-N 2.99Å; T161-A163 WeakPolarHBondContact OG1-CB 3.32Å; T161-A163 PolarHBondContact OG1-N 3.25Å; A163-E186 VanDerWaalsContact CB-CD 3.5Å; A163-E186 HydrophobicContact CB-CG 3.86Å; A163-E186 WeakPolarHBondContact CB-OE1 3.49Å
164	V	89.1	Confident	85.9	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114	178	-179.5	0	0	0	0	108.6	I155 E186 L187 V195 I203	I155-V164 HydrophobicContact CB-CG1 4Å; I155-V164 HydrophobicContact CD1-CG1 4.18Å; I155-V164 HydrophobicContact CG2-CG1 4.35Å; V164-E186 CarbonylContact O-C 3.2Å; V164-L187 HydrophobicContact CB-CB 4.46Å; V164-L187 HydrophobicContact CG1-CB 4.32Å; V164-L187 HydrophobicContact CG1-CD2 4.43Å; V164-L187 PolarHBondContact O-N 2.93Å; V164-V195 HydrophobicContact CB-CG2 4.43Å; V164-V195 HydrophobicContact CG2-CG2 4.47Å; V164-I203 HydrophobicContact CB-CD1 4.38Å; V164-I203 HydrophobicContact CG1-CD1 3.95Å; V164-I203 HydrophobicContact CG2-CD1 3.69Å
165	I	90.1	Very high	85.9	Confident	30 Å²	30	46.2 Å²	46.2	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.6	-176.6	59.1	170.3	0	0	0	111.7	I155 R156 D158 A167 D185 E186	I155-I165 WeakPolarHBondContact CA-O 3.47Å; R156-I165 HydrophobicContact CB-CG1 4.29Å; R156-I165 HydrophobicContact CG-CG1 4.46Å; R156-I165 PolarHBondContact N-O 2.84Å; R156-I165 WeakPolarHBondContact O-CG1 3.35Å; R156-I165 PolarHBondContact O-N 2.9Å; D158-I165 HydrophobicContact CB-CD1 4.41Å; I165-A167 PolarHBondContact O-N 2.87Å; I165-D185 CarbonylContact C-O 3.49Å; I165-D185 WeakPolarHBondContact CA-O 3.31Å; I165-E186 HydrophobicContact CG2-CB 4.38Å; I165-E186 HydrophobicContact CG2-CG 4.31Å
166	V	90	Very high	85.8	Confident	8 Å²	8	46.3 Å²	46.3	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	107.2	171.6	178.7	0	0	0	0	108.9	A153 I169 V181 H182 G184 D185	A153-V166 HydrophobicContact CB-CG1 4.4Å; V166-I169 HydrophobicContact CG1-CD1 3.64Å; V166-I169 HydrophobicContact CG1-CG1 4.39Å; V166-V181 HydrophobicContact CG1-CG1 4.34Å; V166-V181 HydrophobicContact CG2-CG1 3.88Å; V166-H182 WeakPolarHBondContact CB-O 3.36Å; V166-H182 WeakPolarHBondContact CG1-O 3.39Å; V166-G184 PolarHBondContact O-N 2.79Å; V166-D185 HydrophobicContact CB-CB 4.45Å; V166-D185 HydrophobicContact CG2-CB 4.16Å; V166-D185 WeakPolarHBondContact CG2-O 3.46Å; V166-D185 PolarHBondContact N-O 2.76Å
167	A	87.4	Confident	85.6	Confident	36 Å²	36	45.5 Å²	45.5	30%	0.298	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-31.6	-178.8	0	0	0	0	0	113.3	T154 R156 I165 V183	T154-A167 PolarHBondContact O-N 2.81Å; R156-A167 HydrophobicContact CB-CB 3.85Å; I165-A167 PolarHBondContact O-N 2.87Å; A167-V183 WeakPolarHBondContact O-CG1 3.41Å
168	R	88.2	Confident	85.4	Confident	33 Å²	33	41.4 Å²	41.4	13%	0.125	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	147.1	-178.2	-165.5	-176.4	-63.6	-121.2	-3	111.6	A153 T154 D271 W274	A153-R168 CarbonylContact C-O 3.58Å; A153-R168 VanDerWaalsContact CA-O 3.25Å; A153-R168 WeakPolarHBondContact CA-O 3.48Å; T154-R168 PolarHBondContact N-O 3.5Å; T154-R168 PolarHBondContact O-N 3.22Å; T154-R168 WeakPolarHBondContact OG1-CB 3.1Å; T154-R168 PolarHBondContact OG1-N 3.04Å; R168-D271 IonicContact CZ-OD2 3.89Å; R168-D271 IonicContact NH1-OD2 3.37Å; R168-D271 IonicContact NH2-OD2 2.91Å; R168-D271 PolarHBondContact NH2-OD2 2.9Å; R168-W274 PolarHBondContact NH1-O 2.92Å
169	I	89.1	Confident	85.4	Confident	16 Å²	16	41.2 Å²	41.2	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127	166.7	-58.7	-57.7	0	0	0	109.7	A153 V166 A175 D176 V181 V183 Q276	A153-I169 HydrophobicContact CB-CD1 3.76Å; V166-I169 HydrophobicContact CG1-CD1 3.64Å; V166-I169 HydrophobicContact CG1-CG1 4.39Å; I169-A175 HydrophobicContact CD1-CB 4.16Å; I169-A175 HydrophobicContact CG2-CB 4.45Å; I169-D176 HydrophobicContact CG2-CB 3.68Å; I169-V181 HydrophobicContact CD1-CB 4.38Å; I169-V181 HydrophobicContact CD1-CG1 4.05Å; I169-V183 HydrophobicContact CB-CG2 4.48Å; I169-V183 HydrophobicContact CG1-CG2 3.98Å; I169-Q276 PolarHBondContact O-NE2 3.25Å
170	M	88.2	Confident	85.8	Confident	3 Å²	3	35 Å²	35	2%	0.015	21%	0.214	C	C	.	.			trans	-85.9	119.3	178.4	-57.8	-60	-61.8	0	0	110.2	G152 G172 G173 D176 A254 R286 A287 L289	G152-M170 WeakPolarHBondContact O-CA 3.34Å; G152-M170 WeakPolarHBondContact O-CB 3.32Å; G152-M170 PolarHBondContact O-N 2.68Å; M170-G172 PolarHBondContact O-N 3.16Å; M170-G173 PolarHBondContact O-N 2.94Å; M170-D176 WeakPolarHBondContact O-CB 3.39Å; M170-A254 HydrophobicContact CE-CB 4.33Å; M170-R286 HydrophobicContact CB-CG 4.28Å; M170-A287 WeakPolarHBondContact CE-O 3.35Å; M170-L289 HydrophobicContact CE-CD2 4Å; M170-L289 HydrophobicContact CE-CG 4.03Å; M170-L289 HydrophobicContact SD-CD2 4.17Å; M170-L289 HydrophobicContact SD-CG 4.44Å
171	R	86.3	Confident	86.2	Confident	56 Å²	56	30.9 Å²	30.9	21%	0.211	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	133.7	-176.7	-65.5	-60.9	-173	-176.9	2.7	112.1	G173 D176 V267 T268 A287	R171-G173 PolarHBondContact O-N 3.13Å; R171-D176 VanDerWaalsContact CA-OD2 3.32Å; R171-D176 WeakPolarHBondContact CA-OD2 3.27Å; R171-D176 VanDerWaalsContact CD-OD1 3.32Å; R171-D176 WeakPolarHBondContact CD-OD1 3.15Å; R171-D176 IonicContact CZ-OD1 3.74Å; R171-D176 IonicContact NE-OD1 3.77Å; R171-D176 IonicContact NH1-OD1 3.61Å; R171-D176 PolarHBondContact NH1-OD1 2.95Å; R171-V267 HydrophobicContact CB-CB 4.43Å; R171-V267 HydrophobicContact CB-CG1 3.73Å; R171-V267 HydrophobicContact CG-CG1 3.81Å; R171-T268 HydrophobicContact CG-CG2 3.89Å; R171-A287 HydrophobicContact CB-CB 4.11Å; R171-A287 PolarHBondContact O-N 3.23Å
172	G	83.3	Confident	86.6	Confident	14 Å²	14	30.9 Å²	30.9	14%	0.144	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	2.8	-176	0	0	0	0	0	115.5	M170 D176 R177 L285	M170-G172 PolarHBondContact O-N 3.16Å; G172-D176 PolarHBondContact N-OD2 3.32Å; G172-R177 PolarHBondContact O-NH1 3.4Å; G172-L285 WeakPolarHBondContact CA-O 3.4Å
173	G	85.6	Confident	86.9	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-76.8	171.9	168.3	0	0	0	0	0	113	M170 R171 A175 D176 R177	M170-G173 PolarHBondContact O-N 2.94Å; R171-G173 PolarHBondContact O-N 3.13Å; G173-A175 VanDerWaalsContact C-N 3.33Å; G173-A175 PolarHBondContact O-N 2.8Å; G173-D176 PolarHBondContact O-N 3.25Å; G173-R177 WeakPolarHBondContact O-CG 3.43Å; G173-R177 PolarHBondContact O-N 3.39Å
174	A	85.9	Confident	87.1	Confident	6 Å²	6	33.9 Å²	33.9	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-36.9	-178.6	0	0	0	0	0	113.5	L151 S178	L151-A174 HydrophobicContact CD1-CB 4.2Å; L151-A174 PolarHBondContact O-N 2.94Å; A174-S178 WeakPolarHBondContact O-CB 3.08Å; A174-S178 PolarHBondContact O-N 2.94Å; A174-S178 VanDerWaalsContact O-N 3.16Å
175	A	87.9	Confident	87.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-49.4	175	0	0	0	0	0	112	L151 A153 I169 G173 R177 S178 G179	L151-A175 HydrophobicContact CG-CB 4.21Å; L151-A175 PolarHBondContact O-N 2.79Å; A153-A175 HydrophobicContact CB-CB 4.26Å; I169-A175 HydrophobicContact CD1-CB 4.16Å; I169-A175 HydrophobicContact CG2-CB 4.45Å; G173-A175 VanDerWaalsContact C-N 3.33Å; G173-A175 PolarHBondContact O-N 2.8Å; A175-R177 PolarHBondContact O-N 2.75Å; A175-S178 PolarHBondContact O-N 3.43Å; A175-S178 PolarHBondContact O-OG 3.36Å; A175-G179 PolarHBondContact O-N 2.98Å
176	D	86.3	Confident	87.1	Confident	42 Å²	42	34.1 Å²	34.1	23%	0.225	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-47	178.6	-174.4	57.5	0	0	0	111.7	I169 M170 R171 G172 G173 S178 G179	I169-D176 HydrophobicContact CG2-CB 3.68Å; M170-D176 WeakPolarHBondContact O-CB 3.39Å; R171-D176 VanDerWaalsContact CA-OD2 3.32Å; R171-D176 WeakPolarHBondContact CA-OD2 3.27Å; R171-D176 VanDerWaalsContact CD-OD1 3.32Å; R171-D176 WeakPolarHBondContact CD-OD1 3.15Å; R171-D176 IonicContact CZ-OD1 3.74Å; R171-D176 IonicContact NE-OD1 3.77Å; R171-D176 IonicContact NH1-OD1 3.61Å; R171-D176 PolarHBondContact NH1-OD1 2.95Å; G172-D176 PolarHBondContact N-OD2 3.32Å; G173-D176 PolarHBondContact O-N 3.25Å; D176-S178 PolarHBondContact O-N 2.88Å; D176-G179 PolarHBondContact O-N 2.71Å
177	R	84.9	Confident	87.1	Confident	125 Å²	125	34 Å²	34	47%	0.472	19%	0.192	S	C	.	.	H	α-helix	trans	-65.1	-25.4	179.4	-65.4	-174	-45.4	-104.5	3.6	113.5	E149 G172 G173 A175	E149-R177 IonicContact OE1-CZ 3.8Å; E149-R177 IonicContact OE1-NH1 3.15Å; E149-R177 PolarHBondContact OE1-NH1 3.11Å; E149-R177 VanDerWaalsContact OE1-NH1 3.11Å; E149-R177 IonicContact OE1-NH2 2.98Å; E149-R177 PolarHBondContact OE1-NH2 3.41Å; E149-R177 IonicContact OE2-NH1 2.71Å; G172-R177 PolarHBondContact O-NH1 3.4Å; G173-R177 WeakPolarHBondContact O-CG 3.43Å; G173-R177 PolarHBondContact O-N 3.39Å; A175-R177 PolarHBondContact O-N 2.75Å
178	S	84.6	Confident	87.2	Confident	41 Å²	41	35.9 Å²	35.9	29%	0.287	19%	0.191	S	C	.	.	H	α-helix	trans	-77.7	-31	176.8	77.2	0	0	0	0	112.9	L144 A174 A175 D176 L180	L144-S178 WeakPolarHBondContact CD2-OG 3.49Å; A174-S178 WeakPolarHBondContact O-CB 3.08Å; A174-S178 PolarHBondContact O-N 2.94Å; A174-S178 VanDerWaalsContact O-N 3.16Å; A175-S178 PolarHBondContact O-N 3.43Å; A175-S178 PolarHBondContact O-OG 3.36Å; D176-S178 PolarHBondContact O-N 2.88Å; S178-L180 PolarHBondContact O-N 2.81Å; S178-L180 VanDerWaalsContact O-N 3.12Å; S178-L180 PolarHBondContact OG-N 2.81Å; S178-L180 VanDerWaalsContact OG-N 3.13Å
179	G	84.3	Confident	87.3	Confident	42 Å²	42	37.1 Å²	37.1	43%	0.433	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	11.5	-170.3	0	0	0	0	0	114.7	A175 D176 H182	A175-G179 PolarHBondContact O-N 2.98Å; D176-G179 PolarHBondContact O-N 2.71Å; G179-H182 PolarHBondContact O-CE1 2.99Å; G179-H182 VanDerWaalsContact O-CE1 3.24Å; G179-H182 PolarHBondContact O-NE2 3.25Å
180	L	85.8	Confident	87.2	Confident	65 Å²	65	36.5 Å²	36.5	34%	0.34	20%	0.195	S	C	.	.			trans	-91.6	-21.5	-174.7	-63.2	-178.9	0	0	0	113.6	K140 V142 S178	K140-L180 PolarHBondContact NZ-O 2.68Å; V142-L180 HydrophobicContact CB-CB 4.16Å; V142-L180 HydrophobicContact CB-CD1 4.36Å; V142-L180 HydrophobicContact CG1-CB 3.94Å; S178-L180 PolarHBondContact O-N 2.81Å; S178-L180 VanDerWaalsContact O-N 3.12Å; S178-L180 PolarHBondContact OG-N 2.81Å; S178-L180 VanDerWaalsContact OG-N 3.13Å
181	V	88.6	Confident	87.2	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.042	21%	0.211	C	C	.	.			trans	-118.3	131.6	-176.4	-172.1	0	0	0	0	109.5	V142 L144 V166 I169 L216	V142-V181 HydrophobicContact CG2-CG2 4.16Å; L144-V181 HydrophobicContact CD1-CG2 3.86Å; L144-V181 HydrophobicContact CD2-CG2 4.47Å; V166-V181 HydrophobicContact CG1-CG1 4.34Å; V166-V181 HydrophobicContact CG2-CG1 3.88Å; I169-V181 HydrophobicContact CD1-CB 4.38Å; I169-V181 HydrophobicContact CD1-CG1 4.05Å; V181-L216 HydrophobicContact CG2-CD1 4.29Å
182	H	87.5	Confident	87	Confident	99 Å²	99	39.8 Å²	39.8	46%	0.458	23%	0.232	S	C	.	.			trans	-123.1	165.8	-175.8	-58.8	92.1	0	0	0	112	V166 G179 G184 D185	V166-H182 WeakPolarHBondContact CB-O 3.36Å; V166-H182 WeakPolarHBondContact CG1-O 3.39Å; G179-H182 PolarHBondContact O-CE1 2.99Å; G179-H182 VanDerWaalsContact O-CE1 3.24Å; G179-H182 PolarHBondContact O-NE2 3.25Å; H182-G184 PolarHBondContact O-N 3.11Å; H182-D185 PolarHBondContact N-OD2 3.45Å; H182-D185 PolarHBondContact O-N 3.13Å
183	V	88.3	Confident	87.1	Confident	60 Å²	60	41.8 Å²	41.8	36%	0.364	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	120	176.9	179.1	0	0	0	0	110	A167 I169 K223	A167-V183 WeakPolarHBondContact O-CG1 3.41Å; I169-V183 HydrophobicContact CB-CG2 4.48Å; I169-V183 HydrophobicContact CG1-CG2 3.98Å; V183-K223 PolarHBondContact O-NZ 2.58Å
184	G	87.3	Confident	87.1	Confident	27 Å²	27	44.5 Å²	44.5	28%	0.278	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.8	-18.4	-175.8	0	0	0	0	0	113.1	V166 H182 E186 A221	V166-G184 PolarHBondContact O-N 2.79Å; H182-G184 PolarHBondContact O-N 3.11Å; G184-E186 PolarHBondContact O-N 2.81Å; G184-A221 VanDerWaalsContact C-CB 3.43Å
185	D	89.6	Confident	87.2	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.011	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-57.5	132.2	180	-68.4	-8.4	0	0	0	110.7	I165 V166 H182 I218 I219 A221	I165-D185 CarbonylContact C-O 3.49Å; I165-D185 WeakPolarHBondContact CA-O 3.31Å; V166-D185 HydrophobicContact CB-CB 4.45Å; V166-D185 HydrophobicContact CG2-CB 4.16Å; V166-D185 WeakPolarHBondContact CG2-O 3.46Å; V166-D185 PolarHBondContact N-O 2.76Å; H182-D185 PolarHBondContact N-OD2 3.45Å; H182-D185 PolarHBondContact O-N 3.13Å; D185-I218 HydrophobicContact CB-CD1 4.24Å; D185-I218 WeakPolarHBondContact OD2-CD1 3.43Å; D185-I219 WeakPolarHBondContact CA-O 3Å; D185-A221 PolarHBondContact OD1-N 2.78Å; D185-A221 VanDerWaalsContact OD1-N 3.11Å
186	E	90.3	Very high	86.7	Confident	34 Å²	34	47.2 Å²	47.2	16%	0.159	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.2	176.8	-169.3	-174.6	138.3	0	0	109.9	A163 V164 I165 G184 R188 I218 I219	A163-E186 VanDerWaalsContact CB-CD 3.5Å; A163-E186 HydrophobicContact CB-CG 3.86Å; A163-E186 WeakPolarHBondContact CB-OE1 3.49Å; V164-E186 CarbonylContact O-C 3.2Å; I165-E186 HydrophobicContact CG2-CB 4.38Å; I165-E186 HydrophobicContact CG2-CG 4.31Å; G184-E186 PolarHBondContact O-N 2.81Å; E186-R188 IonicContact OE1-CZ 3.92Å; E186-R188 IonicContact OE1-NE 3.73Å; E186-R188 PolarHBondContact OE1-NE 3.19Å; E186-R188 IonicContact OE1-NH2 3.36Å; E186-R188 PolarHBondContact OE1-NH2 3.45Å; E186-R188 IonicContact OE2-NH2 2.94Å; E186-I218 CarbonylContact O-C 3.46Å; E186-I218 WeakPolarHBondContact O-CA 3.46Å; E186-I218 WeakPolarHBondContact O-CB 3.18Å; E186-I219 HydrophobicContact CB-CB 4.14Å; E186-I219 PolarHBondContact N-O 3.3Å; E186-I219 PolarHBondContact O-N 3.11Å
187	L	89.9	Confident	86.4	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.3	179.8	-172.8	66.4	0	0	0	109.9	V164 V190 V195 I203 L216 I218	V164-L187 HydrophobicContact CB-CB 4.46Å; V164-L187 HydrophobicContact CG1-CB 4.32Å; V164-L187 HydrophobicContact CG1-CD2 4.43Å; V164-L187 PolarHBondContact O-N 2.93Å; L187-V190 HydrophobicContact CD1-CG2 4.07Å; L187-V190 HydrophobicContact CD2-CG2 3.68Å; L187-V190 HydrophobicContact CG-CG2 4.11Å; L187-V195 HydrophobicContact CB-CG2 4.17Å; L187-V195 HydrophobicContact CD2-CG1 4.4Å; L187-V195 HydrophobicContact CD2-CG2 4.16Å; L187-V195 HydrophobicContact CG-CG2 3.8Å; L187-V195 WeakPolarHBondContact O-CG2 3.48Å; L187-I203 HydrophobicContact CD2-CG2 4.16Å; L187-L216 HydrophobicContact CD1-CB 3.92Å; L187-L216 HydrophobicContact CD1-CD1 4.46Å; L187-L216 HydrophobicContact CD1-CD2 4.07Å; L187-L216 HydrophobicContact CD1-CG 4.38Å; L187-I218 HydrophobicContact CD1-CG2 3.69Å
188	R	89.3	Confident	86.3	Confident	74 Å²	74	50 Å²	50	28%	0.279	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-42.7	177.3	-72.2	-76	169.1	121	7.3	112.4	E137 E186 S194 V195 K217 I219	E137-R188 IonicContact OE2-CZ 2.81Å; E137-R188 IonicContact OE2-NH2 2.79Å; E137-R188 PolarHBondContact OE2-NH2 2.66Å; E186-R188 IonicContact OE1-CZ 3.92Å; E186-R188 IonicContact OE1-NE 3.73Å; E186-R188 PolarHBondContact OE1-NE 3.19Å; E186-R188 IonicContact OE1-NH2 3.36Å; E186-R188 PolarHBondContact OE1-NH2 3.45Å; E186-R188 IonicContact OE2-NH2 2.94Å; R188-S194 WeakPolarHBondContact O-CA 3.32Å; R188-V195 WeakPolarHBondContact O-CG2 3.36Å; R188-V195 PolarHBondContact O-N 3.05Å; R188-K217 PolarHBondContact N-O 2.92Å; R188-I219 HydrophobicContact CG-CD1 3.84Å; R188-I219 HydrophobicContact CG-CG1 4.06Å; R188-I219 VanDerWaalsContact CZ-CD1 3.48Å
189	E	89.8	Confident	86.4	Confident	59 Å²	59	55.4 Å²	55.4	28%	0.276	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	149	179.7	-55.6	168.1	-155.8	0	0	113	V193 L216 K217	E189-V193 CarbonylContact C-O 3.58Å; E189-V193 VanDerWaalsContact CA-O 3.31Å; E189-V193 WeakPolarHBondContact CA-O 3.25Å; E189-L216 WeakPolarHBondContact O-CA 3.49Å; E189-K217 HydrophobicContact CB-CB 3.77Å; E189-K217 HydrophobicContact CB-CD 4.39Å; E189-K217 HydrophobicContact CG-CB 4.25Å; E189-K217 HydrophobicContact CG-CD 3.98Å; E189-K217 PolarHBondContact N-O 3.27Å; E189-K217 PolarHBondContact O-N 3.43Å; E189-K217 WeakPolarHBondContact OE1-CD 3.46Å; E189-K217 IonicContact OE1-NZ 3.63Å; E189-K217 PolarHBondContact OE1-NZ 2.78Å
190	V	88.8	Confident	86.4	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.2	172	179.4	0	0	0	0	108.5	L187 G192 V193 V195 I203 L207 I214 L216	L187-V190 HydrophobicContact CD1-CG2 4.07Å; L187-V190 HydrophobicContact CD2-CG2 3.68Å; L187-V190 HydrophobicContact CG-CG2 4.11Å; V190-G192 PolarHBondContact O-N 3.06Å; V190-V193 PolarHBondContact N-O 2.82Å; V190-V193 WeakPolarHBondContact O-CB 3.48Å; V190-V193 PolarHBondContact O-N 2.84Å; V190-V195 HydrophobicContact CB-CG1 4.29Å; V190-V195 HydrophobicContact CG2-CG1 3.69Å; V190-I203 HydrophobicContact CG2-CG2 4.47Å; V190-L207 HydrophobicContact CG1-CD2 3.55Å; V190-L207 HydrophobicContact CG1-CG 4.21Å; V190-L207 HydrophobicContact CG2-CD2 4.43Å; V190-I214 HydrophobicContact CG1-CG2 4.23Å; V190-L216 HydrophobicContact CB-CD2 4.25Å; V190-L216 HydrophobicContact CG1-CD2 4Å; V190-L216 HydrophobicContact CG2-CD2 3.81Å
191	N	86.7	Confident	86.4	Confident	65 Å²	65	57.8 Å²	57.8	35%	0.348	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	38	-178.1	-65.7	-23.2	0	0	0	113.4	V193 S210 I214 T215	N191-V193 VanDerWaalsContact C-N 3.28Å; N191-V193 PolarHBondContact O-N 3.38Å; N191-S210 PolarHBondContact ND2-OG 3.04Å; N191-S210 VanDerWaalsContact ND2-OG 3.13Å; N191-I214 WeakPolarHBondContact OD1-CA 3.46Å; N191-T215 PolarHBondContact N-O 3.41Å; N191-T215 PolarHBondContact OD1-N 3.29Å
192	G	82.5	Confident	86.3	Confident	63 Å²	63	60.4 Å²	60.4	65%	0.649	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	3.8	-177.4	0	0	0	0	0	114.9	V190	V190-G192 PolarHBondContact O-N 3.06Å
193	V	86.1	Confident	86.2	Confident	56 Å²	56	55.7 Å²	55.7	34%	0.339	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.5	175.3	-177.5	0	0	0	0	109.5	E189 V190 N191 L206	E189-V193 CarbonylContact C-O 3.58Å; E189-V193 VanDerWaalsContact CA-O 3.31Å; E189-V193 WeakPolarHBondContact CA-O 3.25Å; V190-V193 PolarHBondContact N-O 2.82Å; V190-V193 WeakPolarHBondContact O-CB 3.48Å; V190-V193 PolarHBondContact O-N 2.84Å; N191-V193 VanDerWaalsContact C-N 3.28Å; N191-V193 PolarHBondContact O-N 3.38Å; V193-L206 HydrophobicContact CG1-CD1 4.44Å
194	S	85.9	Confident	86	Confident	56 Å²	56	55.7 Å²	55.7	39%	0.392	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137.1	174.9	177.6	0	0	0	0	111.8	R188	R188-S194 WeakPolarHBondContact O-CA 3.32Å
195	V	86.2	Confident	85.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.			trans	-106.5	-6	-178.4	-62.7	0	0	0	0	114.5	V164 L187 R188 V190 H197 K198 I203	V164-V195 HydrophobicContact CB-CG2 4.43Å; V164-V195 HydrophobicContact CG2-CG2 4.47Å; L187-V195 HydrophobicContact CB-CG2 4.17Å; L187-V195 HydrophobicContact CD2-CG1 4.4Å; L187-V195 HydrophobicContact CD2-CG2 4.16Å; L187-V195 HydrophobicContact CG-CG2 3.8Å; L187-V195 WeakPolarHBondContact O-CG2 3.48Å; R188-V195 WeakPolarHBondContact O-CG2 3.36Å; R188-V195 PolarHBondContact O-N 3.05Å; V190-V195 HydrophobicContact CB-CG1 4.29Å; V190-V195 HydrophobicContact CG2-CG1 3.69Å; V195-H197 PolarHBondContact O-N 2.9Å; V195-H197 VanDerWaalsContact O-N 3.11Å; V195-K198 PolarHBondContact O-N 2.74Å; V195-I203 HydrophobicContact CB-CD1 3.78Å; V195-I203 HydrophobicContact CB-CG1 4.09Å; V195-I203 HydrophobicContact CG1-CD1 4.18Å; V195-I203 HydrophobicContact CG1-CG1 3.99Å; V195-I203 HydrophobicContact CG1-CG2 4.2Å
196	I	79.2	Confident	85.6	Confident	63 Å²	63	61.6 Å²	61.6	32%	0.323	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.9	-172.6	-60.5	172.3	0	0	0	112.8
197	H	79.1	Confident	85.2	Confident	167 Å²	167	61.1 Å²	61.1	77%	0.773	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	7	-178.7	-56.2	-54.1	0	0	0	114	V195	V195-H197 PolarHBondContact O-N 2.9Å; V195-H197 VanDerWaalsContact O-N 3.11Å
198	K	83.7	Confident	84.8	Confident	60 Å²	60	64.1 Å²	64.1	26%	0.261	34%	0.342	S	S	.	.	S	Bend	trans	-97.4	146.5	-176.6	-63.5	-163.2	178.4	-160.6	0	111.2	V195 E202 I203 L206	V195-K198 PolarHBondContact O-N 2.74Å; K198-E202 HydrophobicContact CB-CB 4.44Å; K198-I203 HydrophobicContact CB-CD1 4.12Å; K198-I203 HydrophobicContact CB-CG1 3.75Å; K198-L206 HydrophobicContact CD-CD1 3.73Å
199	R	85	Confident	84.4	Confident	153 Å²	153	66.8 Å²	66.8	58%	0.577	36%	0.358	S	S	*	.			trans	-73.9	150.4	172.9	-67.3	-177	-64.4	169.6	4	110.4	D201 E202 I203	R199-D201 PolarHBondContact O-N 2.79Å; R199-D201 VanDerWaalsContact O-N 3.1Å; R199-E202 HydrophobicContact CB-CG 4.41Å; R199-E202 IonicContact CZ-OE1 3.17Å; R199-E202 PolarHBondContact N-OE2 2.61Å; R199-E202 IonicContact NE-OE1 4Å; R199-E202 PolarHBondContact NE-OE1 3.02Å; R199-E202 IonicContact NH2-OE1 3.84Å; R199-E202 PolarHBondContact NH2-OE1 2.9Å; R199-E202 WeakPolarHBondContact O-CB 2.97Å; R199-E202 PolarHBondContact O-N 2.88Å; R199-I203 WeakPolarHBondContact O-CG1 3.45Å; R199-I203 PolarHBondContact O-N 3.22Å; R199-I203 VanDerWaalsContact O-N 3.08Å
200	P	85	Confident	83.9	Confident	39 Å²	39	65.3 Å²	65.3	25%	0.253	35%	0.354	S	S	.	.	H	α-helix	trans	-50.5	-36.5	175.9	-29.6	36.5	0	0	0	113.8	I155 R157 I203 S204	I155-P200 HydrophobicContact CD1-CB 4.34Å; I155-P200 HydrophobicContact CG1-CB 4.35Å; R157-P200 HydrophobicContact CB-CG 4.27Å; P200-I203 PolarHBondContact O-N 3.06Å; P200-S204 WeakPolarHBondContact O-CB 3.49Å; P200-S204 PolarHBondContact O-N 2.86Å
201	D	85.3	Confident	83.2	Confident	118 Å²	118	71.5 Å²	71.5	63%	0.631	38%	0.383	S	S	*	.	H	α-helix	trans	-64.3	-41.6	177.7	-56.7	-33.9	0	0	0	112.4	R199 S204 Q205	R199-D201 PolarHBondContact O-N 2.79Å; R199-D201 VanDerWaalsContact O-N 3.1Å; D201-S204 WeakPolarHBondContact O-CB 3.4Å; D201-S204 PolarHBondContact O-N 2.83Å; D201-Q205 WeakPolarHBondContact O-CB 3.41Å; D201-Q205 PolarHBondContact O-N 2.77Å
202	E	86.4	Confident	82.9	Confident	63 Å²	63	69.9 Å²	69.9	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-68	-38.1	177.8	-68.1	162.4	-160.4	0	0	110.8	K198 R199 Q205 L206	K198-E202 HydrophobicContact CB-CB 4.44Å; R199-E202 HydrophobicContact CB-CG 4.41Å; R199-E202 IonicContact CZ-OE1 3.17Å; R199-E202 PolarHBondContact N-OE2 2.61Å; R199-E202 IonicContact NE-OE1 4Å; R199-E202 PolarHBondContact NE-OE1 3.02Å; R199-E202 IonicContact NH2-OE1 3.84Å; R199-E202 PolarHBondContact NH2-OE1 2.9Å; R199-E202 WeakPolarHBondContact O-CB 2.97Å; R199-E202 PolarHBondContact O-N 2.88Å; E202-Q205 PolarHBondContact O-N 2.83Å; E202-L206 VanDerWaalsContact O-CG 3.29Å; E202-L206 WeakPolarHBondContact O-CG 3.46Å; E202-L206 PolarHBondContact O-N 3.4Å
203	I	86.1	Confident	82.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-68	-41.5	175.8	-58.3	164.6	0	0	0	110.4	I155 V164 L187 V190 V195 K198 R199 P200 Q205 L206 L207	I155-I203 HydrophobicContact CD1-CB 3.67Å; I155-I203 HydrophobicContact CD1-CD1 4.17Å; I155-I203 HydrophobicContact CD1-CG2 3.51Å; V164-I203 HydrophobicContact CB-CD1 4.38Å; V164-I203 HydrophobicContact CG1-CD1 3.95Å; V164-I203 HydrophobicContact CG2-CD1 3.69Å; L187-I203 HydrophobicContact CD2-CG2 4.16Å; V190-I203 HydrophobicContact CG2-CG2 4.47Å; V195-I203 HydrophobicContact CB-CD1 3.78Å; V195-I203 HydrophobicContact CB-CG1 4.09Å; V195-I203 HydrophobicContact CG1-CD1 4.18Å; V195-I203 HydrophobicContact CG1-CG1 3.99Å; V195-I203 HydrophobicContact CG1-CG2 4.2Å; K198-I203 HydrophobicContact CB-CD1 4.12Å; K198-I203 HydrophobicContact CB-CG1 3.75Å; R199-I203 WeakPolarHBondContact O-CG1 3.45Å; R199-I203 PolarHBondContact O-N 3.22Å; R199-I203 VanDerWaalsContact O-N 3.08Å; P200-I203 PolarHBondContact O-N 3.06Å; I203-Q205 VanDerWaalsContact C-N 3.28Å; I203-Q205 PolarHBondContact O-N 3.33Å; I203-L206 PolarHBondContact O-N 3.33Å; I203-L207 HydrophobicContact CG2-CD1 4.13Å; I203-L207 WeakPolarHBondContact O-CB 3.44Å; I203-L207 WeakPolarHBondContact O-CG 3.48Å; I203-L207 PolarHBondContact O-N 2.65Å
204	S	84.2	Confident	82.9	Confident	59 Å²	59	66.7 Å²	66.7	41%	0.413	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-41	172.8	-173	0	0	0	0	111.2	P200 D201 L207 S208	P200-S204 WeakPolarHBondContact O-CB 3.49Å; P200-S204 PolarHBondContact O-N 2.86Å; D201-S204 WeakPolarHBondContact O-CB 3.4Å; D201-S204 PolarHBondContact O-N 2.83Å; S204-L207 PolarHBondContact O-N 2.65Å; S204-S208 VanDerWaalsContact O-CB 3.28Å; S204-S208 WeakPolarHBondContact O-CB 2.65Å; S204-S208 PolarHBondContact O-N 3.01Å; S204-S208 PolarHBondContact O-OG 3.27Å
205	Q	83.1	Confident	83.1	Confident	109 Å²	109	66.6 Å²	66.6	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-66.3	-41.4	176	-165.9	174.9	13.9	0	0	112.7	D201 E202 I203 S208 Q209	D201-Q205 WeakPolarHBondContact O-CB 3.41Å; D201-Q205 PolarHBondContact O-N 2.77Å; E202-Q205 PolarHBondContact O-N 2.83Å; I203-Q205 VanDerWaalsContact C-N 3.28Å; I203-Q205 PolarHBondContact O-N 3.33Å; Q205-S208 WeakPolarHBondContact CA-OG 3.29Å; Q205-S208 PolarHBondContact O-N 3.43Å; Q205-S208 PolarHBondContact O-OG 3.03Å; Q205-Q209 WeakPolarHBondContact O-CB 3.4Å; Q205-Q209 VanDerWaalsContact O-CG 3.29Å; Q205-Q209 WeakPolarHBondContact O-CG 3.32Å; Q205-Q209 PolarHBondContact O-N 3.48Å
206	L	85.2	Confident	83.2	Confident	45 Å²	45	67 Å²	67	24%	0.236	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-44.5	174.6	-71.1	165.6	0	0	0	111.8	V193 K198 E202 I203 S208 S210	V193-L206 HydrophobicContact CG1-CD1 4.44Å; K198-L206 HydrophobicContact CD-CD1 3.73Å; E202-L206 VanDerWaalsContact O-CG 3.29Å; E202-L206 WeakPolarHBondContact O-CG 3.46Å; E202-L206 PolarHBondContact O-N 3.4Å; I203-L206 PolarHBondContact O-N 3.33Å; L206-S208 VanDerWaalsContact C-N 3.34Å; L206-S210 WeakPolarHBondContact O-CB 3.35Å; L206-S210 PolarHBondContact O-N 3.26Å; L206-S210 PolarHBondContact O-OG 2.62Å
207	L	82.4	Confident	83.7	Confident	23 Å²	23	67.2 Å²	67.2	12%	0.12	35%	0.35	C	S	.	.	H	α-helix	trans	-67.4	-34.9	176.8	-73.1	170.5	0	0	0	111.5	K146 V190 I203 S204 I214 L216	K146-L207 PolarHBondContact NZ-O 3.23Å; V190-L207 HydrophobicContact CG1-CD2 3.55Å; V190-L207 HydrophobicContact CG1-CG 4.21Å; V190-L207 HydrophobicContact CG2-CD2 4.43Å; I203-L207 HydrophobicContact CG2-CD1 4.13Å; I203-L207 WeakPolarHBondContact O-CB 3.44Å; I203-L207 WeakPolarHBondContact O-CG 3.48Å; I203-L207 PolarHBondContact O-N 2.65Å; S204-L207 PolarHBondContact O-N 2.65Å; L207-I214 HydrophobicContact CD2-CD1 4.25Å; L207-I214 HydrophobicContact CD2-CG2 4.02Å; L207-L216 HydrophobicContact CD2-CD2 4.18Å
208	S	81.2	Confident	84.3	Confident	70 Å²	70	59.3 Å²	59.3	49%	0.49	31%	0.313	S	S	.	.	H	α-helix	trans	-71.4	-40.4	-179.8	76.1	0	0	0	0	112.6	S204 Q205 L206 S210	S204-S208 VanDerWaalsContact O-CB 3.28Å; S204-S208 WeakPolarHBondContact O-CB 2.65Å; S204-S208 PolarHBondContact O-N 3.01Å; S204-S208 PolarHBondContact O-OG 3.27Å; Q205-S208 WeakPolarHBondContact CA-OG 3.29Å; Q205-S208 PolarHBondContact O-N 3.43Å; Q205-S208 PolarHBondContact O-OG 3.03Å; L206-S208 VanDerWaalsContact C-N 3.34Å; S208-S210 VanDerWaalsContact C-N 3.34Å
209	Q	81.1	Confident	84.5	Confident	130 Å²	130	57.3 Å²	57.3	61%	0.607	31%	0.305	S	S	*	.	H	α-helix	trans	-70	-28.9	177.6	-71.1	173.9	-3.5	0	0	113.1	Q205	Q205-Q209 WeakPolarHBondContact O-CB 3.4Å; Q205-Q209 VanDerWaalsContact O-CG 3.29Å; Q205-Q209 WeakPolarHBondContact O-CG 3.32Å; Q205-Q209 PolarHBondContact O-N 3.48Å
210	S	78.8	Confident	84.5	Confident	28 Å²	28	52.4 Å²	52.4	20%	0.196	29%	0.293	C	S	.	.			trans	-72.4	129.2	178.3	-59.1	0	0	0	0	111.5	N191 L206 S208	N191-S210 PolarHBondContact ND2-OG 3.04Å; N191-S210 VanDerWaalsContact ND2-OG 3.13Å; L206-S210 WeakPolarHBondContact O-CB 3.35Å; L206-S210 PolarHBondContact O-N 3.26Å; L206-S210 PolarHBondContact O-OG 2.62Å; S208-S210 VanDerWaalsContact C-N 3.34Å
211	Q	74	Confident	84.3	Confident	135 Å²	135	52.3 Å²	52.3	63%	0.631	30%	0.295	S	S	*	.			trans	-120.6	148	173.3	-63	-165.2	12	0	0	110.9
212	G	80.7	Confident	83.4	Confident	31 Å²	31	55.1 Å²	55.1	32%	0.32	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87.1	-133.1	-179.9	0	0	0	0	0	112.2	K146	K146-G212 PolarHBondContact N-O 3.01Å; K146-G212 PolarHBondContact O-N 2.93Å
213	S	82	Confident	82.2	Confident	51 Å²	51	58.3 Å²	58.3	36%	0.357	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	122.8	-179	59.6	0	0	0	0	112.1	R143 L144	R143-S213 PolarHBondContact NH2-OG 2.84Å; R143-S213 VanDerWaalsContact NH2-OG 3.14Å; L144-S213 CarbonylContact O-C 3.52Å; L144-S213 VanDerWaalsContact O-CA 3.29Å; L144-S213 WeakPolarHBondContact O-CA 3.39Å
214	I	86.9	Confident	80.5	Confident	1 Å²	1	67 Å²	67	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.1	172.6	-60.7	175.1	0	0	0	107.9	R143 L144 K146 V190 N191 L207 L216	R143-I214 CarbonylContact C-O 3.59Å; R143-I214 WeakPolarHBondContact CA-O 3.25Å; L144-I214 PolarHBondContact N-O 3.47Å; L144-I214 PolarHBondContact O-N 3.24Å; K146-I214 HydrophobicContact CB-CD1 3.94Å; K146-I214 HydrophobicContact CD-CD1 3.53Å; K146-I214 HydrophobicContact CG-CD1 4.35Å; V190-I214 HydrophobicContact CG1-CG2 4.23Å; N191-I214 WeakPolarHBondContact OD1-CA 3.46Å; L207-I214 HydrophobicContact CD2-CD1 4.25Å; L207-I214 HydrophobicContact CD2-CG2 4.02Å; I214-L216 HydrophobicContact CG2-CD2 3.62Å; I214-L216 HydrophobicContact CG2-CG 4.2Å
215	T	88.8	Confident	78.7	Confident	53 Å²	53	72.5 Å²	72.5	33%	0.325	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.3	173.8	-54.4	0	0	0	0	108.5	I141 V142 N191	I141-T215 HydrophobicContact CG2-CG2 3.55Å; V142-T215 CarbonylContact O-C 3.54Å; V142-T215 WeakPolarHBondContact O-CA 3.35Å; N191-T215 PolarHBondContact N-O 3.41Å; N191-T215 PolarHBondContact OD1-N 3.29Å
216	L	89.8	Confident	77.2	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.042	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.5	175.1	-46.5	173	0	0	0	109.1	I141 V142 L144 L151 V181 L187 E189 V190 L207 I214 I218	I141-L216 WeakPolarHBondContact CA-O 3.36Å; V142-L216 HydrophobicContact CG2-CB 3.61Å; V142-L216 HydrophobicContact CG2-CD1 4.1Å; V142-L216 HydrophobicContact CG2-CG 4.16Å; V142-L216 PolarHBondContact N-O 3.12Å; V142-L216 PolarHBondContact O-N 2.83Å; L144-L216 HydrophobicContact CD1-CD1 3.39Å; L144-L216 HydrophobicContact CD1-CG 3.97Å; L151-L216 HydrophobicContact CD2-CD1 4.19Å; V181-L216 HydrophobicContact CG2-CD1 4.29Å; L187-L216 HydrophobicContact CD1-CB 3.92Å; L187-L216 HydrophobicContact CD1-CD1 4.46Å; L187-L216 HydrophobicContact CD1-CD2 4.07Å; L187-L216 HydrophobicContact CD1-CG 4.38Å; E189-L216 WeakPolarHBondContact O-CA 3.49Å; V190-L216 HydrophobicContact CB-CD2 4.25Å; V190-L216 HydrophobicContact CG1-CD2 4Å; V190-L216 HydrophobicContact CG2-CD2 3.81Å; L207-L216 HydrophobicContact CD2-CD2 4.18Å; I214-L216 HydrophobicContact CG2-CD2 3.62Å; I214-L216 HydrophobicContact CG2-CG 4.2Å; L216-I218 HydrophobicContact CB-CG2 4.05Å
217	K	89.4	Confident	75.4	Confident	69 Å²	69	81.5 Å²	81.5	30%	0.3	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	112.7	169.6	-170.5	179	178.3	-178.7	0	107	V139 I141 R188 E189	V139-K217 HydrophobicContact CG1-CB 4.42Å; V139-K217 HydrophobicContact CG1-CD 3.93Å; V139-K217 HydrophobicContact CG1-CG 3.14Å; I141-K217 HydrophobicContact CG1-CG 4.45Å; R188-K217 PolarHBondContact N-O 2.92Å; E189-K217 HydrophobicContact CB-CB 3.77Å; E189-K217 HydrophobicContact CB-CD 4.39Å; E189-K217 HydrophobicContact CG-CB 4.25Å; E189-K217 HydrophobicContact CG-CD 3.98Å; E189-K217 PolarHBondContact N-O 3.27Å; E189-K217 PolarHBondContact O-N 3.43Å; E189-K217 WeakPolarHBondContact OE1-CD 3.46Å; E189-K217 IonicContact OE1-NZ 3.63Å; E189-K217 PolarHBondContact OE1-NZ 2.78Å
218	I	91	Very high	74.1	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.005	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.2	-173.1	63.3	175.2	0	0	0	111.7	K140 V142 D185 E186 L187 L216	K140-I218 HydrophobicContact CB-CG1 4.04Å; K140-I218 HydrophobicContact CD-CD1 4.32Å; K140-I218 HydrophobicContact CD-CG1 4.5Å; K140-I218 PolarHBondContact N-O 2.93Å; K140-I218 WeakPolarHBondContact O-CG1 3.44Å; K140-I218 PolarHBondContact O-N 3.18Å; V142-I218 HydrophobicContact CG1-CD1 3.96Å; V142-I218 HydrophobicContact CG1-CG1 4.4Å; V142-I218 HydrophobicContact CG2-CD1 4.13Å; V142-I218 HydrophobicContact CG2-CG1 4.47Å; D185-I218 HydrophobicContact CB-CD1 4.24Å; D185-I218 WeakPolarHBondContact OD2-CD1 3.43Å; E186-I218 CarbonylContact O-C 3.46Å; E186-I218 WeakPolarHBondContact O-CA 3.46Å; E186-I218 WeakPolarHBondContact O-CB 3.18Å; L187-I218 HydrophobicContact CD1-CG2 3.69Å; L216-I218 HydrophobicContact CB-CG2 4.05Å
219	I	87.8	Confident	72.8	Confident	17 Å²	17	91.6 Å²	91.6	9%	0.087	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115	169	-55.7	174.6	0	0	0	106.1	E137 V139 D185 E186 R188 A221	E137-I219 HydrophobicContact CB-CD1 3.84Å; E137-I219 HydrophobicContact CB-CG1 4.35Å; E137-I219 HydrophobicContact CB-CG2 3.79Å; E137-I219 HydrophobicContact CG-CD1 4.49Å; E137-I219 HydrophobicContact CG-CG2 4.41Å; E137-I219 WeakPolarHBondContact OE2-CD1 3.37Å; V139-I219 HydrophobicContact CG2-CG1 4.48Å; D185-I219 WeakPolarHBondContact CA-O 3Å; E186-I219 HydrophobicContact CB-CB 4.14Å; E186-I219 PolarHBondContact N-O 3.3Å; E186-I219 PolarHBondContact O-N 3.11Å; R188-I219 HydrophobicContact CG-CD1 3.84Å; R188-I219 HydrophobicContact CG-CG1 4.06Å; R188-I219 VanDerWaalsContact CZ-CD1 3.48Å; I219-A221 PolarHBondContact O-N 2.79Å
220	P	85.3	Confident	71.7	Confident	50 Å²	50	92.7 Å²	92.7	33%	0.325	45%	0.453	S	S	.	.			trans	-66.2	132.3	-175.5	26.9	-31.6	0	0	0	109.9	S138 I222	S138-P220 VanDerWaalsContact O-CD 3.25Å; S138-P220 WeakPolarHBondContact O-CD 3.04Å; P220-I222 PolarHBondContact O-N 3.42Å
221	A	80.6	Confident	70.6	Confident	37 Å²	37	94 Å²	94	31%	0.306	46%	0.463	S	S	.	.			trans	-68.9	130.7	170.5	0	0	0	0	0	109.9	G184 D185 I219 K223	G184-A221 VanDerWaalsContact C-CB 3.43Å; D185-A221 PolarHBondContact OD1-N 2.78Å; D185-A221 VanDerWaalsContact OD1-N 3.11Å; I219-A221 PolarHBondContact O-N 2.79Å; A221-K223 PolarHBondContact O-N 3.28Å
222	I	66.3	Low	70.5	Confident	178 Å²	178	94.3 Å²	94.3	91%	0.913	46%	0.462	S	S	*	.			trans	-64.8	105.6	170.9	-56.9	167.3	0	0	0	107.3	P220	P220-I222 PolarHBondContact O-N 3.42Å
223	K	61.3	Low	70.9	Confident	130 Å²	130	94.1 Å²	94.1	57%	0.565	45%	0.454	S	S	*	.			trans	-139.9	136	172.1	-81.5	-172.1	177.7	170.3	0	112.1	V183 A221	V183-K223 PolarHBondContact O-NZ 2.58Å; A221-K223 PolarHBondContact O-N 3.28Å
224	E	51.7	Low	71.5	Confident	182 Å²	182	95 Å²	95	85%	0.85	45%	0.45	S	S	*	.			trans	-56.6	141.9	165	-66.6	178.5	148.9	0	0	109.9	D226	E224-D226 PolarHBondContact O-N 3.49Å
225	E	45.5	Very low	71.9	Confident	174 Å²	174	95.9 Å²	95.9	81%	0.813	46%	0.455	S	S	*	.			trans	-56.8	100.8	-177.3	-74.7	-177.1	152.4	0	0	112.1	R227	E225-R227 PolarHBondContact O-N 3.43Å
226	D	50.7	Low	72.2	Confident	123 Å²	123	94.3 Å²	94.3	66%	0.658	44%	0.443	S	S	*	.			trans	-67.6	96.5	165.7	-88.7	-33.7	0	0	0	108.9	E224 L228	E224-D226 PolarHBondContact O-N 3.49Å; D226-L228 HydrophobicContact CB-CG 4.16Å; D226-L228 PolarHBondContact O-N 2.96Å
227	R	49	Very low	72.4	Confident	221 Å²	221	93.9 Å²	93.9	83%	0.834	44%	0.441	S	S	*	.			trans	-67.2	78.3	165.7	-69.1	-175	177.2	-176.1	0.3	109.4	E225 R229	E225-R227 PolarHBondContact O-N 3.43Å; R227-R229 PolarHBondContact O-N 2.77Å
228	L	54.5	Low	72.6	Confident	83 Å²	83	91.8 Å²	91.8	44%	0.435	43%	0.432	S	S	.	.			trans	-62.8	118	-178.1	-70.2	152.1	0	0	0	110.4	D226 E230 D270	D226-L228 HydrophobicContact CB-CG 4.16Å; D226-L228 PolarHBondContact O-N 2.96Å; L228-E230 PolarHBondContact O-N 2.75Å; L228-D270 VanDerWaalsContact CD2-OD2 3.27Å; L228-D270 WeakPolarHBondContact CD2-OD2 3.45Å
229	R	54.3	Low	72.6	Confident	222 Å²	222	93 Å²	93	84%	0.838	44%	0.438	S	S	*	.			trans	-81.2	108.3	173.4	-75.1	-175.5	-178.4	-175.4	1.5	109.5	R227 S231	R227-R229 PolarHBondContact O-N 2.77Å; R229-S231 PolarHBondContact O-N 2.84Å
230	E	56.8	Low	72.9	Confident	152 Å²	152	97.3 Å²	97.3	71%	0.71	46%	0.461	S	S	*	.			trans	-59.5	105.1	163.3	-70.9	-172.1	-177.5	0	0	109.5	L228	L228-E230 PolarHBondContact O-N 2.75Å
231	S	57.2	Low	73.3	Confident	57 Å²	57	95.6 Å²	95.6	40%	0.399	45%	0.448	S	S	.	.			trans	-100.9	95.2	173.4	-64.1	0	0	0	0	108.1	R229 V233	R229-S231 PolarHBondContact O-N 2.84Å; S231-V233 VanDerWaalsContact C-N 3.26Å; S231-V233 PolarHBondContact O-N 3.48Å
232	K	70.8	Confident	74	Confident	140 Å²	140	96.7 Å²	96.7	61%	0.609	45%	0.451	S	S	*	.			trans	-74.5	80.3	176.8	-67.6	177.3	-175.5	170.2	0	109.6
233	V	90.1	Very high	75.2	Confident	27 Å²	27	88.5 Å²	88.5	16%	0.164	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.5	177.7	-174.2	0	0	0	0	109.4	S231 M235 V266 E400	S231-V233 VanDerWaalsContact C-N 3.26Å; S231-V233 PolarHBondContact O-N 3.48Å; V233-M235 HydrophobicContact CG1-CE 3.52Å; V233-M235 HydrophobicContact CG1-CG 4.39Å; V233-M235 HydrophobicContact CG1-SD 4.14Å; V233-V266 PolarHBondContact O-N 3.42Å; V233-E400 HydrophobicContact CG1-CG 3.86Å
234	Y	94.4	Very high	76.6	Confident	71 Å²	71	88.4 Å²	88.4	28%	0.278	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.3	175.1	-63.1	-86.8	0	0	0	109.7	L264 Q265 V280 V401 W607	Y234-L264 CarbonylContact C-O 3.43Å; Y234-L264 WeakPolarHBondContact CA-O 3.47Å; Y234-Q265 HydrophobicContact CD1-CB 3.88Å; Y234-Q265 HydrophobicContact CD1-CG 4.13Å; Y234-Q265 HydrophobicContact CE1-CB 3.69Å; Y234-Q265 HydrophobicContact CE1-CG 3.63Å; Y234-V280 HydrophobicContact CD1-CG2 3.93Å; Y234-V280 HydrophobicContact CE1-CG2 4Å; Y234-V401 PolarHBondContact O-N 2.81Å; Y234-W607 AromaticContact CD1-CH2 3.46Å; Y234-W607 HydrophobicContact CD1-CH2 3.46Å; Y234-W607 VanDerWaalsContact CD1-CH2 3.46Å; Y234-W607 HydrophobicContact CD1-CZ2 4.36Å; Y234-W607 AromaticContact CD1-CZ3 3.88Å; Y234-W607 HydrophobicContact CD1-CZ3 3.88Å; Y234-W607 HydrophobicContact CD2-CH2 4.16Å; Y234-W607 HydrophobicContact CD2-CZ3 4.05Å; Y234-W607 AromaticContact CE1-CH2 3.81Å; Y234-W607 HydrophobicContact CE1-CH2 3.81Å; Y234-W607 HydrophobicContact CE2-CH2 4.46Å; Y234-W607 AromaticContact CG-CH2 3.65Å; Y234-W607 HydrophobicContact CG-CH2 3.65Å; Y234-W607 AromaticContact CG-CZ3 3.58Å; Y234-W607 HydrophobicContact CG-CZ3 3.58Å
235	M	94.4	Very high	78.5	Confident	19 Å²	19	87.2 Å²	87.2	9%	0.094	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137	-177.7	-63.3	-65.7	-170.6	0	0	109.5	V233 L264 V266 Y398 E399 E400	V233-M235 HydrophobicContact CG1-CE 3.52Å; V233-M235 HydrophobicContact CG1-CG 4.39Å; V233-M235 HydrophobicContact CG1-SD 4.14Å; M235-L264 PolarHBondContact N-O 2.62Å; M235-L264 PolarHBondContact O-N 3.13Å; M235-V266 HydrophobicContact CB-CG2 4.37Å; M235-V266 HydrophobicContact CG-CG2 3.7Å; M235-Y398 HydrophobicContact CB-CD1 4.47Å; M235-E399 CarbonylContact C-O 3.6Å; M235-E399 WeakPolarHBondContact CA-O 3.17Å; M235-E400 HydrophobicContact CE-CG 4.48Å; M235-E400 HydrophobicContact SD-CB 3.87Å; M235-E400 HydrophobicContact SD-CG 4.15Å
236	R	95.1	Very high	80.6	Confident	19 Å²	19	79.3 Å²	79.3	7%	0.072	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.2	166.4	172.6	161.3	52.7	-156.7	-4	109.2	L238 D262 I263 Y398 E399 V401 D579	R236-L238 HydrophobicContact CG-CD2 4.39Å; R236-D262 WeakPolarHBondContact CA-O 3.31Å; R236-I263 HydrophobicContact CB-CD1 3.8Å; R236-I263 HydrophobicContact CG-CD1 4.08Å; R236-Y398 WeakPolarHBondContact O-CA 3.4Å; R236-E399 IonicContact CZ-OE2 3.72Å; R236-E399 PolarHBondContact N-O 3.25Å; R236-E399 IonicContact NE-OE2 3.41Å; R236-E399 PolarHBondContact NE-OE2 3.41Å; R236-E399 IonicContact NH2-OE1 3.52Å; R236-E399 IonicContact NH2-OE2 2.59Å; R236-E399 PolarHBondContact NH2-OE2 2.84Å; R236-E399 PolarHBondContact O-N 3.47Å; R236-V401 HydrophobicContact CB-CG1 3.73Å; R236-V401 HydrophobicContact CB-CG2 4.42Å; R236-D579 IonicContact NH1-OD1 3.48Å
237	A	94.9	Very high	82.3	Confident	0 Å²	0	83 Å²	83	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.7	174.8	0	0	0	0	0	110.9	F258 G261 D262 L264	A237-F258 HydrophobicContact CB-CD2 3.43Å; A237-F258 VanDerWaalsContact CB-CD2 3.43Å; A237-F258 HydrophobicContact CB-CE2 3.56Å; A237-F258 HydrophobicContact CB-CG 4.37Å; A237-G261 PolarHBondContact O-N 2.95Å; A237-D262 PolarHBondContact N-O 3.24Å; A237-L264 HydrophobicContact CB-CD1 4.39Å
238	L	92.9	Very high	84.2	Confident	24 Å²	24	74.9 Å²	74.9	13%	0.126	36%	0.363	C	S	.	.	S	Bend	trans	-99.8	2	177.3	-56.9	-179.5	0	0	0	113.1	R236 L396 T397 E399 H576	R236-L238 HydrophobicContact CG-CD2 4.39Å; L238-L396 HydrophobicContact CB-CB 4.04Å; L238-L396 HydrophobicContact CD1-CD2 4.33Å; L238-T397 PolarHBondContact N-O 3.41Å; L238-E399 HydrophobicContact CD1-CB 4.25Å; L238-E399 HydrophobicContact CD2-CB 4.32Å; L238-E399 HydrophobicContact CG-CB 4.41Å; L238-H576 HydrophobicContact CD2-CB 4.41Å
239	F	92.1	Very high	85.7	Confident	27 Å²	27	71.6 Å²	71.6	12%	0.118	35%	0.346	C	S	.	.	S	Bend	trans	-143.8	168	179.6	69.4	-76.1	0	0	0	110.7	F258 R260 P291 Q296 L396 T397 Y398	F239-F258 HydrophobicContact CD2-CE2 4.43Å; F239-F258 HydrophobicContact CE1-CE2 4.17Å; F239-F258 HydrophobicContact CE1-CZ 4.17Å; F239-F258 HydrophobicContact CE2-CE2 4.07Å; F239-F258 AromaticContact CE2-CZ 3.95Å; F239-F258 HydrophobicContact CE2-CZ 3.95Å; F239-F258 AromaticContact CZ-CE2 3.93Å; F239-F258 HydrophobicContact CZ-CE2 3.93Å; F239-F258 AromaticContact CZ-CZ 3.62Å; F239-F258 HydrophobicContact CZ-CZ 3.62Å; F239-F258 WeakPolarHBondContact O-CE2 3.29Å; F239-R260 PolarHBondContact O-N 3.18Å; F239-P291 HydrophobicContact CZ-CG 4.16Å; F239-Q296 HydrophobicContact CE1-CG 4.14Å; F239-Q296 HydrophobicContact CE2-CG 4.36Å; F239-Q296 HydrophobicContact CZ-CG 3.93Å; F239-L396 WeakPolarHBondContact CD1-O 3.21Å; F239-T397 WeakPolarHBondContact CD1-O 3.39Å; F239-T397 VanDerWaalsContact CE1-O 3.31Å; F239-T397 WeakPolarHBondContact CE1-O 3.27Å; F239-Y398 HydrophobicContact CE1-CD1 4.36Å; F239-Y398 AromaticContact CE1-CE1 3.86Å; F239-Y398 HydrophobicContact CE1-CE1 3.86Å; F239-Y398 HydrophobicContact CE1-CE2 4.09Å; F239-Y398 AromaticContact CE1-CZ 3.74Å; F239-Y398 HydrophobicContact CZ-CE1 4.24Å; F239-Y398 HydrophobicContact CZ-CE2 4.34Å; F239-Y398 AromaticContact CZ-CZ 3.82Å
240	D	92.5	Very high	87.2	Confident	108 Å²	108	65 Å²	65	58%	0.578	33%	0.332	S	S	*	.			trans	-91.8	138.8	175	-60.9	-26.6	0	0	0	110.4	K259 R260	D240-K259 WeakPolarHBondContact OD1-CA 3.37Å; D240-R260 WeakPolarHBondContact OD1-CB 3.37Å; D240-R260 PolarHBondContact OD1-N 3.2Å
241	Y	94.3	Very high	88.4	Confident	13 Å²	13	59.8 Å²	59.8	5%	0.051	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-129.6	119.7	177.4	-179.3	-122.1	0	0	0	111.6	P243 D246 L256 P257 F258 W274 P291	Y241-P243 HydrophobicContact CD1-CG 4.07Å; Y241-P243 HydrophobicContact CE1-CB 4.09Å; Y241-P243 HydrophobicContact CE1-CG 3.6Å; Y241-D246 HydrophobicContact CE2-CB 4.04Å; Y241-D246 WeakPolarHBondContact CE2-OD2 3.37Å; Y241-D246 PolarHBondContact OH-OD2 2.9Å; Y241-L256 WeakPolarHBondContact CD1-O 3.09Å; Y241-P257 WeakPolarHBondContact O-CA 3.43Å; Y241-F258 VanDerWaalsContact CB-CE1 3.46Å; Y241-F258 AromaticContact CD1-CD1 3.99Å; Y241-F258 HydrophobicContact CD1-CD1 3.99Å; Y241-F258 AromaticContact CD1-CE1 3.51Å; Y241-F258 HydrophobicContact CD1-CE1 3.51Å; Y241-F258 HydrophobicContact CD1-CZ 4.11Å; Y241-F258 HydrophobicContact CG-CD1 4.42Å; Y241-F258 AromaticContact CG-CE1 3.81Å; Y241-F258 HydrophobicContact CG-CE1 3.81Å; Y241-F258 AromaticContact CG-CZ 3.94Å; Y241-F258 HydrophobicContact CG-CZ 3.94Å; Y241-F258 PolarHBondContact N-O 3.15Å; Y241-F258 PolarHBondContact O-N 3.01Å; Y241-W274 AromaticContact CZ-CZ3 3.98Å; Y241-W274 WeakPolarHBondContact OH-CH2 3.45Å; Y241-W274 WeakPolarHBondContact OH-CZ3 3.49Å; Y241-P291 HydrophobicContact CD2-CG 4.25Å; Y241-P291 HydrophobicContact CE2-CG 4.25Å; Y241-P291 HydrophobicContact CG-CG 4.47Å
242	T	94.3	Very high	89.9	Confident	61 Å²	61	61.1 Å²	61.1	37%	0.374	31%	0.311	S	S	.	.			trans	-113.1	101.7	174.9	-54.2	0	0	0	0	109	L244 E245	T242-L244 VanDerWaalsContact C-N 3.25Å; T242-L244 HydrophobicContact CG2-CB 4.37Å; T242-L244 PolarHBondContact O-N 3.11Å; T242-E245 HydrophobicContact CG2-CB 4.35Å; T242-E245 HydrophobicContact CG2-CG 3.86Å; T242-E245 PolarHBondContact O-N 2.76Å
243	P	92.8	Very high	90.6	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.032	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-60.5	-32.4	-177.1	-19.8	26.9	0	0	0	114.1	Y241 E245 D246 P257	Y241-P243 HydrophobicContact CD1-CG 4.07Å; Y241-P243 HydrophobicContact CE1-CB 4.09Å; Y241-P243 HydrophobicContact CE1-CG 3.6Å; P243-E245 PolarHBondContact O-N 3.38Å; P243-D246 PolarHBondContact O-N 3Å; P243-D246 VanDerWaalsContact O-N 3.09Å; P243-P257 HydrophobicContact CG-CB 4.27Å
244	L	91.1	Very high	90.4	Very high	128 Å²	128	61.2 Å²	61.2	67%	0.67	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-64.2	-28.8	-179.6	-64.3	170.6	0	0	0	113	T242 Q252	T242-L244 VanDerWaalsContact C-N 3.25Å; T242-L244 HydrophobicContact CG2-CB 4.37Å; T242-L244 PolarHBondContact O-N 3.11Å; L244-Q252 HydrophobicContact CD2-CB 4.5Å; L244-Q252 PolarHBondContact O-NE2 2.82Å
245	E	90.6	Very high	90.3	Very high	158 Å²	158	58.4 Å²	58.4	74%	0.738	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-87	-12.8	177.8	-65.9	173.9	-171.9	0	0	111.9	T242 P243 K247	T242-E245 HydrophobicContact CG2-CB 4.35Å; T242-E245 HydrophobicContact CG2-CG 3.86Å; T242-E245 PolarHBondContact O-N 2.76Å; P243-E245 PolarHBondContact O-N 3.38Å; E245-K247 PolarHBondContact O-N 3.34Å
246	D	89.2	Confident	90.2	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.043	31%	0.308	C	S	.	.			trans	-90.4	103.8	-174.4	-163.7	-3	0	0	0	111.5	Y241 P243 A248 T249 W274 R299	Y241-D246 HydrophobicContact CE2-CB 4.04Å; Y241-D246 WeakPolarHBondContact CE2-OD2 3.37Å; Y241-D246 PolarHBondContact OH-OD2 2.9Å; P243-D246 PolarHBondContact O-N 3Å; P243-D246 VanDerWaalsContact O-N 3.09Å; D246-A248 PolarHBondContact O-N 2.84Å; D246-A248 WeakPolarHBondContact OD1-CB 3.43Å; D246-A248 PolarHBondContact OD1-N 2.85Å; D246-A248 VanDerWaalsContact OD1-N 3.08Å; D246-T249 VanDerWaalsContact O-CG2 3.25Å; D246-T249 WeakPolarHBondContact O-CG2 3.43Å; D246-T249 PolarHBondContact O-N 3.3Å; D246-W274 WeakPolarHBondContact OD2-CH2 3.43Å; D246-R299 VanDerWaalsContact CG-NH2 3.32Å; D246-R299 IonicContact OD1-CZ 2.73Å; D246-R299 IonicContact OD1-NH1 3.9Å; D246-R299 PolarHBondContact OD1-NH1 2.86Å; D246-R299 IonicContact OD1-NH2 2.58Å; D246-R299 PolarHBondContact OD1-NH2 2.82Å; D246-R299 IonicContact OD2-CZ 3.45Å; D246-R299 IonicContact OD2-NH1 3.45Å; D246-R299 PolarHBondContact OD2-NH1 3.13Å; D246-R299 IonicContact OD2-NH2 2.78Å; D246-R299 PolarHBondContact OD2-NH2 2.79Å
247	K	87.1	Confident	90.2	Very high	201 Å²	201	61.2 Å²	61.2	87%	0.874	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-16.3	176.1	-62	-174.5	-179.5	-177.5	0	113.6	E245	E245-K247 PolarHBondContact O-N 3.34Å
248	A	88.3	Confident	90.2	Very high	50 Å²	50	61.6 Å²	61.6	41%	0.413	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.1	-178.6	0	0	0	0	0	113.2	D246 W274 F295	D246-A248 PolarHBondContact O-N 2.84Å; D246-A248 WeakPolarHBondContact OD1-CB 3.43Å; D246-A248 PolarHBondContact OD1-N 2.85Å; D246-A248 VanDerWaalsContact OD1-N 3.08Å; A248-W274 VanDerWaalsContact O-CZ2 3.31Å; A248-W274 WeakPolarHBondContact O-CZ2 3.43Å; A248-F295 HydrophobicContact CB-CZ 4.16Å
249	T	86.8	Confident	90.2	Very high	14 Å²	14	67.6 Å²	67.6	9%	0.086	35%	0.354	C	S	.	.			trans	-74.6	134.4	-179.5	-164.2	0	0	0	0	111.3	D246 C251 Q252	D246-T249 VanDerWaalsContact O-CG2 3.25Å; D246-T249 WeakPolarHBondContact O-CG2 3.43Å; D246-T249 PolarHBondContact O-N 3.3Å; T249-C251 PolarHBondContact O-N 3.17Å; T249-Q252 HydrophobicContact CG2-CB 4.11Å; T249-Q252 HydrophobicContact CG2-CG 3.39Å
250	P	84.5	Confident	90.2	Very high	84 Å²	84	69.8 Å²	69.8	55%	0.545	36%	0.361	S	S	.	.	S	Bend	trans	-62	-30.8	-178.6	-24	32.6	0	0	0	113	W274	P250-W274 VanDerWaalsContact CD-CE2 3.44Å; P250-W274 HydrophobicContact CG-CD2 4.43Å; P250-W274 HydrophobicContact CG-CG 4.08Å
251	C	83.6	Confident	90	Very high	41 Å²	41	66.7 Å²	66.7	28%	0.277	35%	0.354	S	S	.	.			trans	-152.6	109	179.3	178.7	0	0	0	0	109.2	T249 E253 A254 G255	T249-C251 PolarHBondContact O-N 3.17Å; C251-E253 VanDerWaalsContact C-N 3.27Å; C251-E253 PolarHBondContact O-N 2.89Å; C251-A254 HydrophobicContact CB-CB 3.92Å; C251-A254 PolarHBondContact O-N 2.85Å; C251-A254 VanDerWaalsContact O-N 3.12Å; C251-G255 PolarHBondContact O-N 3.48Å
252	Q	87.3	Confident	90	Very high	85 Å²	85	68.2 Å²	68.2	40%	0.397	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-61.8	-35.5	-177.1	-68.2	-178.9	-25.6	0	0	112.2	L244 T249 A254 G255	L244-Q252 HydrophobicContact CD2-CB 4.5Å; L244-Q252 PolarHBondContact O-NE2 2.82Å; T249-Q252 HydrophobicContact CG2-CB 4.11Å; T249-Q252 HydrophobicContact CG2-CG 3.39Å; Q252-A254 VanDerWaalsContact C-N 3.29Å; Q252-A254 PolarHBondContact O-N 3Å; Q252-G255 PolarHBondContact O-N 3.44Å
253	E	85.5	Confident	90	Very high	163 Å²	163	66.3 Å²	66.3	76%	0.762	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-69.5	-24.5	177.7	-58.6	-175.3	173.9	0	0	113.7	C251	C251-E253 VanDerWaalsContact C-N 3.27Å; C251-E253 PolarHBondContact O-N 2.89Å
254	A	87.8	Confident	90.1	Very high	7 Å²	7	66.1 Å²	66.1	6%	0.058	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-87.3	-10.9	176	0	0	0	0	0	112.3	M170 C251 Q252 G288 L289	M170-A254 HydrophobicContact CE-CB 4.33Å; C251-A254 HydrophobicContact CB-CB 3.92Å; C251-A254 PolarHBondContact O-N 2.85Å; C251-A254 VanDerWaalsContact O-N 3.12Å; Q252-A254 VanDerWaalsContact C-N 3.29Å; Q252-A254 PolarHBondContact O-N 3Å; A254-G288 CarbonylContact O-C 3.59Å; A254-G288 WeakPolarHBondContact O-CA 3.27Å; A254-L289 HydrophobicContact CB-CD1 3.95Å; A254-L289 HydrophobicContact CB-CG 4.17Å; A254-L289 PolarHBondContact O-N 2.84Å
255	G	90.9	Very high	90.2	Very high	12 Å²	12	62.3 Å²	62.3	12%	0.124	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-66.7	138.5	179.8	0	0	0	0	0	112.9	C251 Q252 P257 L289	C251-G255 PolarHBondContact O-N 3.48Å; Q252-G255 PolarHBondContact O-N 3.44Å; G255-P257 VanDerWaalsContact O-CD 3.3Å; G255-P257 WeakPolarHBondContact O-CD 3.32Å; G255-L289 WeakPolarHBondContact CA-O 3.18Å
256	L	93.6	Very high	90.3	Very high	23 Å²	23	54.8 Å²	54.8	12%	0.12	29%	0.293	C	S	.	.			trans	-94.5	107.9	174.6	180	66.9	0	0	0	109.6	Y241 F258 L264 A277 L289 I290	Y241-L256 WeakPolarHBondContact CD1-O 3.09Å; L256-F258 WeakPolarHBondContact O-CD1 3.17Å; L256-L264 HydrophobicContact CD2-CD2 4.14Å; L256-A277 HydrophobicContact CD2-CB 4.33Å; L256-L289 PolarHBondContact N-O 2.81Å; L256-I290 HydrophobicContact CB-CG2 3.82Å; L256-I290 HydrophobicContact CD2-CG2 4.01Å; L256-I290 HydrophobicContact CG-CG2 4.34Å
257	P	94.6	Very high	90.3	Very high	73 Å²	73	55.9 Å²	55.9	47%	0.474	30%	0.3	S	S	.	.			trans	-70.6	140.5	173.2	28.8	-33.6	0	0	0	111	Y241 P243 G255	Y241-P257 WeakPolarHBondContact O-CA 3.43Å; P243-P257 HydrophobicContact CG-CB 4.27Å; G255-P257 VanDerWaalsContact O-CD 3.3Å; G255-P257 WeakPolarHBondContact O-CD 3.32Å
258	F	94.9	Very high	90.3	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.035	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-149.6	157.9	175.4	59.9	-100.8	0	0	0	111.8	A237 F239 Y241 L256 D262 L264 I290 Y398	A237-F258 HydrophobicContact CB-CD2 3.43Å; A237-F258 VanDerWaalsContact CB-CD2 3.43Å; A237-F258 HydrophobicContact CB-CE2 3.56Å; A237-F258 HydrophobicContact CB-CG 4.37Å; F239-F258 HydrophobicContact CD2-CE2 4.43Å; F239-F258 HydrophobicContact CE1-CE2 4.17Å; F239-F258 HydrophobicContact CE1-CZ 4.17Å; F239-F258 HydrophobicContact CE2-CE2 4.07Å; F239-F258 AromaticContact CE2-CZ 3.95Å; F239-F258 HydrophobicContact CE2-CZ 3.95Å; F239-F258 AromaticContact CZ-CE2 3.93Å; F239-F258 HydrophobicContact CZ-CE2 3.93Å; F239-F258 AromaticContact CZ-CZ 3.62Å; F239-F258 HydrophobicContact CZ-CZ 3.62Å; F239-F258 WeakPolarHBondContact O-CE2 3.29Å; Y241-F258 VanDerWaalsContact CB-CE1 3.46Å; Y241-F258 AromaticContact CD1-CD1 3.99Å; Y241-F258 HydrophobicContact CD1-CD1 3.99Å; Y241-F258 AromaticContact CD1-CE1 3.51Å; Y241-F258 HydrophobicContact CD1-CE1 3.51Å; Y241-F258 HydrophobicContact CD1-CZ 4.11Å; Y241-F258 HydrophobicContact CG-CD1 4.42Å; Y241-F258 AromaticContact CG-CE1 3.81Å; Y241-F258 HydrophobicContact CG-CE1 3.81Å; Y241-F258 AromaticContact CG-CZ 3.94Å; Y241-F258 HydrophobicContact CG-CZ 3.94Å; Y241-F258 PolarHBondContact N-O 3.15Å; Y241-F258 PolarHBondContact O-N 3.01Å; L256-F258 WeakPolarHBondContact O-CD1 3.17Å; F258-D262 WeakPolarHBondContact CA-OD2 3.28Å; F258-D262 HydrophobicContact CB-CB 4.21Å; F258-L264 HydrophobicContact CB-CD2 4.09Å; F258-L264 HydrophobicContact CD1-CD1 3.78Å; F258-L264 HydrophobicContact CD1-CD2 4.4Å; F258-L264 HydrophobicContact CD2-CD1 4.41Å; F258-L264 HydrophobicContact CE1-CD1 3.9Å; F258-L264 HydrophobicContact CG-CD1 4.03Å; F258-L264 HydrophobicContact CG-CD2 4.37Å; F258-L264 HydrophobicContact CZ-CD1 4.28Å; F258-I290 HydrophobicContact CD1-CG2 4Å; F258-I290 HydrophobicContact CE1-CB 4.03Å; F258-I290 HydrophobicContact CE1-CG2 3.69Å; F258-Y398 HydrophobicContact CE1-CE1 4.47Å; F258-Y398 HydrophobicContact CE2-CE1 4.28Å; F258-Y398 AromaticContact CZ-CE1 3.8Å; F258-Y398 HydrophobicContact CZ-CE1 3.8Å; F258-Y398 WeakPolarHBondContact CZ-OH 3.3Å
259	K	92.6	Very high	90.3	Very high	151 Å²	151	48.1 Å²	48.1	66%	0.657	26%	0.259	S	S	*	.			trans	-109.1	158.8	173.7	-63.8	-170.9	178.2	-172.8	0	110.9	D240 G261 D262	D240-K259 WeakPolarHBondContact OD1-CA 3.37Å; K259-G261 PolarHBondContact O-N 2.62Å; K259-D262 PolarHBondContact N-OD2 3Å; K259-D262 VanDerWaalsContact O-CB 3.23Å; K259-D262 WeakPolarHBondContact O-CB 3.28Å; K259-D262 PolarHBondContact O-N 2.68Å
260	R	91.1	Very high	90.2	Very high	73 Å²	73	52.3 Å²	52.3	28%	0.275	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	127.3	170.6	-176.6	-178.6	73.8	174.3	0.6	110.2	F239 D240 D571 G575 H576	F239-R260 PolarHBondContact O-N 3.18Å; D240-R260 WeakPolarHBondContact OD1-CB 3.37Å; D240-R260 PolarHBondContact OD1-N 3.2Å; R260-D571 IonicContact CZ-OD1 2.75Å; R260-D571 PolarHBondContact NH1-O 3.01Å; R260-D571 PolarHBondContact NH2-O 2.59Å; R260-D571 IonicContact NH2-OD1 3.82Å; R260-D571 PolarHBondContact NH2-OD1 3.12Å; R260-D571 IonicContact NH2-OD2 3.61Å; R260-G575 VanDerWaalsContact CZ-CA 3.49Å; R260-H576 HydrophobicContact CG-CB 4.4Å
261	G	89.7	Confident	90.2	Very high	42 Å²	42	50.2 Å²	50.2	43%	0.433	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	-14.8	-176.2	0	0	0	0	0	114.4	A237 K259	A237-G261 PolarHBondContact O-N 2.95Å; K259-G261 PolarHBondContact O-N 2.62Å
262	D	93.4	Very high	90.4	Very high	45 Å²	45	52.2 Å²	52.2	24%	0.241	28%	0.277	C	S	.	.			trans	-63.5	143.7	174.9	-75.1	-16.7	0	0	0	110.9	R236 A237 F258 K259	R236-D262 WeakPolarHBondContact CA-O 3.31Å; A237-D262 PolarHBondContact N-O 3.24Å; F258-D262 WeakPolarHBondContact CA-OD2 3.28Å; F258-D262 HydrophobicContact CB-CB 4.21Å; K259-D262 PolarHBondContact N-OD2 3Å; K259-D262 VanDerWaalsContact O-CB 3.23Å; K259-D262 WeakPolarHBondContact O-CB 3.28Å; K259-D262 PolarHBondContact O-N 2.68Å
263	I	94.8	Very high	90.6	Very high	22 Å²	22	50 Å²	50	11%	0.113	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.7	176.1	-49.8	-57.6	0	0	0	109.1	R236 V280 V401 W607	R236-I263 HydrophobicContact CB-CD1 3.8Å; R236-I263 HydrophobicContact CG-CD1 4.08Å; I263-V280 HydrophobicContact CB-CB 4.25Å; I263-V280 HydrophobicContact CB-CG2 4.19Å; I263-V280 HydrophobicContact CG2-CB 4.35Å; I263-V280 HydrophobicContact CG2-CG2 3.79Å; I263-V280 PolarHBondContact O-N 3.08Å; I263-V401 HydrophobicContact CD1-CG2 4.33Å; I263-V401 HydrophobicContact CG2-CG2 4.15Å; I263-W607 HydrophobicContact CD1-CB 4.03Å; I263-W607 HydrophobicContact CD1-CG 4.01Å; I263-W607 HydrophobicContact CG1-CB 4.37Å; I263-W607 HydrophobicContact CG1-CD2 4.24Å; I263-W607 HydrophobicContact CG1-CG 3.84Å; I263-W607 HydrophobicContact CG2-CD2 3.9Å; I263-W607 HydrophobicContact CG2-CE3 4.16Å; I263-W607 HydrophobicContact CG2-CG 4.38Å; I263-W607 HydrophobicContact CG2-CH2 4.27Å; I263-W607 HydrophobicContact CG2-CZ2 4.03Å; I263-W607 HydrophobicContact CG2-CZ3 4.33Å
264	L	95.1	Very high	91	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.8	-177.3	-53.2	179.8	0	0	0	109.1	Y234 M235 A237 L256 F258 V266 A277 K278 R279 I290 Y398	Y234-L264 CarbonylContact C-O 3.43Å; Y234-L264 WeakPolarHBondContact CA-O 3.47Å; M235-L264 PolarHBondContact N-O 2.62Å; M235-L264 PolarHBondContact O-N 3.13Å; A237-L264 HydrophobicContact CB-CD1 4.39Å; L256-L264 HydrophobicContact CD2-CD2 4.14Å; F258-L264 HydrophobicContact CB-CD2 4.09Å; F258-L264 HydrophobicContact CD1-CD1 3.78Å; F258-L264 HydrophobicContact CD1-CD2 4.4Å; F258-L264 HydrophobicContact CD2-CD1 4.41Å; F258-L264 HydrophobicContact CE1-CD1 3.9Å; F258-L264 HydrophobicContact CG-CD1 4.03Å; F258-L264 HydrophobicContact CG-CD2 4.37Å; F258-L264 HydrophobicContact CZ-CD1 4.28Å; L264-V266 PolarHBondContact O-N 3.17Å; L264-A277 HydrophobicContact CB-CB 4.45Å; L264-K278 CarbonylContact C-O 3.56Å; L264-K278 WeakPolarHBondContact CA-O 3.47Å; L264-R279 HydrophobicContact CD2-CB 4.32Å; L264-R279 HydrophobicContact CD2-CG 4.49Å; L264-I290 HydrophobicContact CD1-CD1 3.99Å; L264-I290 HydrophobicContact CD1-CG2 4.49Å; L264-Y398 HydrophobicContact CD1-CE1 3.95Å
265	Q	93.6	Very high	91.2	Very high	48 Å²	48	43.5 Å²	43.5	22%	0.224	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	105.7	166.9	-177.2	180	4.7	0	0	108.3	Y234 V267 A277 K278 V280	Y234-Q265 HydrophobicContact CD1-CB 3.88Å; Y234-Q265 HydrophobicContact CD1-CG 4.13Å; Y234-Q265 HydrophobicContact CE1-CB 3.69Å; Y234-Q265 HydrophobicContact CE1-CG 3.63Å; Q265-V267 PolarHBondContact O-N 3.12Å; Q265-A277 CarbonylContact O-C 3.54Å; Q265-A277 WeakPolarHBondContact O-CA 3.38Å; Q265-A277 WeakPolarHBondContact O-CB 3.47Å; Q265-K278 PolarHBondContact N-O 3.13Å; Q265-K278 PolarHBondContact O-N 2.84Å; Q265-V280 HydrophobicContact CB-CG2 4.24Å
266	V	92.8	Very high	91.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.5	173.2	-175.1	0	0	0	0	107.9	V233 M235 L264 Q269 W275 A277 I290	V233-V266 PolarHBondContact O-N 3.42Å; M235-V266 HydrophobicContact CB-CG2 4.37Å; M235-V266 HydrophobicContact CG-CG2 3.7Å; L264-V266 PolarHBondContact O-N 3.17Å; V266-Q269 HydrophobicContact CG1-CG 3.62Å; V266-W275 HydrophobicContact CG1-CB 4.36Å; V266-W275 HydrophobicContact CG1-CE3 4.47Å; V266-W275 HydrophobicContact CG2-CE3 4.39Å; V266-A277 HydrophobicContact CG2-CB 4.45Å; V266-I290 HydrophobicContact CG2-CD1 4.45Å
267	V	89.3	Confident	91.3	Very high	30 Å²	30	42.3 Å²	42.3	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-43.8	-177.8	-174.8	0	0	0	0	110.4	R171 Q265 Q276 K278 A287	R171-V267 HydrophobicContact CB-CB 4.43Å; R171-V267 HydrophobicContact CB-CG1 3.73Å; R171-V267 HydrophobicContact CG-CG1 3.81Å; Q265-V267 PolarHBondContact O-N 3.12Å; V267-Q276 PolarHBondContact N-O 3.48Å; V267-K278 HydrophobicContact CG2-CD 4.36Å; V267-K278 HydrophobicContact CG2-CG 4.28Å; V267-A287 HydrophobicContact CG2-CB 4.32Å
268	T	87.1	Confident	91.2	Very high	10 Å²	10	41.3 Å²	41.3	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145.9	176.1	166.9	0	0	0	0	111.2	R171 D270 Q276	R171-T268 HydrophobicContact CG-CG2 3.89Å; T268-D270 PolarHBondContact OG1-N 3.02Å; T268-D270 PolarHBondContact OG1-OD1 2.94Å; T268-D270 PolarHBondContact OG1-OD2 2.84Å; T268-Q276 HydrophobicContact CG2-CB 3.55Å; T268-Q276 HydrophobicContact CG2-CG 3.58Å; T268-Q276 PolarHBondContact N-O 3.3Å; T268-Q276 PolarHBondContact O-N 3.31Å; T268-Q276 VanDerWaalsContact O-N 3.13Å
269	Q	88.5	Confident	91.1	Very high	79 Å²	79	45.5 Å²	45.5	37%	0.369	23%	0.231	S	C	.	.			trans	-118.1	17	174.4	-62	-178.6	-9.2	0	0	112.2	V266 D271 W275	V266-Q269 HydrophobicContact CG1-CG 3.62Å; Q269-D271 PolarHBondContact O-N 3.41Å; Q269-W275 HydrophobicContact CB-CG 4.48Å; Q269-W275 HydrophobicContact CG-CD2 4.03Å; Q269-W275 HydrophobicContact CG-CG 4.15Å; Q269-W275 HydrophobicContact CG-CZ2 4.37Å
270	D	83.6	Confident	91	Very high	102 Å²	102	40.4 Å²	40.4	55%	0.545	21%	0.213	S	C	.	.			trans	-58.4	-35.1	-173.4	-56.3	-28.9	0	0	0	112.2	L228 T268	L228-D270 VanDerWaalsContact CD2-OD2 3.27Å; L228-D270 WeakPolarHBondContact CD2-OD2 3.45Å; T268-D270 PolarHBondContact OG1-N 3.02Å; T268-D270 PolarHBondContact OG1-OD1 2.94Å; T268-D270 PolarHBondContact OG1-OD2 2.84Å
271	D	85.6	Confident	90.6	Very high	40 Å²	40	41 Å²	41	21%	0.214	24%	0.241	C	C	.	.	S	Bend	trans	-89.5	123.9	173.3	-177.4	-44.5	0	0	0	110.6	R168 Q269 T273 W274 W275	R168-D271 IonicContact CZ-OD2 3.89Å; R168-D271 IonicContact NH1-OD2 3.37Å; R168-D271 IonicContact NH2-OD2 2.91Å; R168-D271 PolarHBondContact NH2-OD2 2.9Å; Q269-D271 PolarHBondContact O-N 3.41Å; D271-T273 PolarHBondContact O-N 2.83Å; D271-T273 VanDerWaalsContact OD1-CA 3.32Å; D271-T273 WeakPolarHBondContact OD1-CA 3.39Å; D271-T273 WeakPolarHBondContact OD1-CB 3.45Å; D271-T273 PolarHBondContact OD1-N 3.2Å; D271-T273 PolarHBondContact OD1-OG1 2.93Å; D271-W274 WeakPolarHBondContact CB-O 3.36Å; D271-W274 PolarHBondContact OD1-N 3.42Å; D271-W275 VanDerWaalsContact O-CD1 3.23Å
272	P	87.5	Confident	90.4	Very high	82 Å²	82	42.1 Å²	42.1	53%	0.532	24%	0.237	S	C	.	.	S	Bend	trans	-70.2	-10.7	-177.2	29.6	-36.3	0	0	0	114.3	S292	P272-S292 VanDerWaalsContact O-CB 3.25Å; P272-S292 WeakPolarHBondContact O-CB 3.16Å; P272-S292 PolarHBondContact O-OG 2.96Å
273	T	91.5	Very high	89.6	Confident	39 Å²	39	45.5 Å²	45.5	24%	0.239	26%	0.264	C	S	.	.	S	Bend	trans	-110.3	-37.4	-178.6	60.3	0	0	0	0	113.6	D271 S292 F295	D271-T273 PolarHBondContact O-N 2.83Å; D271-T273 VanDerWaalsContact OD1-CA 3.32Å; D271-T273 WeakPolarHBondContact OD1-CA 3.39Å; D271-T273 WeakPolarHBondContact OD1-CB 3.45Å; D271-T273 PolarHBondContact OD1-N 3.2Å; D271-T273 PolarHBondContact OD1-OG1 2.93Å; T273-S292 PolarHBondContact O-N 3.12Å; T273-F295 HydrophobicContact CG2-CD2 4.26Å
274	W	92.5	Very high	88.8	Confident	10 Å²	10	48.2 Å²	48.2	4%	0.038	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	101.6	-173.8	-68.7	101.4	0	0	0	111.8	R168 Y241 D246 A248 P250 D271 L289 I290 P291 F295	R168-W274 PolarHBondContact NH1-O 2.92Å; Y241-W274 AromaticContact CZ-CZ3 3.98Å; Y241-W274 WeakPolarHBondContact OH-CH2 3.45Å; Y241-W274 WeakPolarHBondContact OH-CZ3 3.49Å; D246-W274 WeakPolarHBondContact OD2-CH2 3.43Å; A248-W274 VanDerWaalsContact O-CZ2 3.31Å; A248-W274 WeakPolarHBondContact O-CZ2 3.43Å; P250-W274 VanDerWaalsContact CD-CE2 3.44Å; P250-W274 HydrophobicContact CG-CD2 4.43Å; P250-W274 HydrophobicContact CG-CG 4.08Å; D271-W274 WeakPolarHBondContact CB-O 3.36Å; D271-W274 PolarHBondContact OD1-N 3.42Å; W274-L289 HydrophobicContact CB-CD2 4.48Å; W274-L289 HydrophobicContact CE3-CB 4.2Å; W274-I290 CarbonylContact C-O 3.59Å; W274-I290 WeakPolarHBondContact CA-O 3.39Å; W274-P291 HydrophobicContact CH2-CB 4.41Å; W274-P291 HydrophobicContact CZ3-CB 4.15Å; W274-F295 HydrophobicContact CH2-CE1 4.39Å; W274-F295 HydrophobicContact CZ2-CD1 4.4Å; W274-F295 AromaticContact CZ2-CE1 3.71Å; W274-F295 HydrophobicContact CZ2-CE1 3.71Å; W274-F295 HydrophobicContact CZ2-CZ 4.49Å
275	W	93.4	Very high	87.8	Confident	24 Å²	24	53.8 Å²	53.8	9%	0.091	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	155	176.2	-63.2	-17.6	0	0	0	111.6	V266 Q269 D271 L289 I290 S292 K293 Y398	V266-W275 HydrophobicContact CG1-CB 4.36Å; V266-W275 HydrophobicContact CG1-CE3 4.47Å; V266-W275 HydrophobicContact CG2-CE3 4.39Å; Q269-W275 HydrophobicContact CB-CG 4.48Å; Q269-W275 HydrophobicContact CG-CD2 4.03Å; Q269-W275 HydrophobicContact CG-CG 4.15Å; Q269-W275 HydrophobicContact CG-CZ2 4.37Å; D271-W275 VanDerWaalsContact O-CD1 3.23Å; W275-L289 WeakPolarHBondContact O-CA 3.36Å; W275-I290 HydrophobicContact CB-CD1 4.4Å; W275-I290 HydrophobicContact CB-CG1 3.87Å; W275-I290 HydrophobicContact CE3-CD1 4.42Å; W275-I290 PolarHBondContact N-O 2.87Å; W275-I290 PolarHBondContact O-N 2.76Å; W275-S292 VanDerWaalsContact CE2-CB 3.46Å; W275-K293 HydrophobicContact CH2-CB 3.53Å; W275-K293 HydrophobicContact CZ2-CB 4.24Å; W275-K293 HydrophobicContact CZ3-CB 4.13Å; W275-Y398 HydrophobicContact CZ3-CD2 4.38Å
276	Q	92.3	Very high	87.4	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.047	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.9	169.9	-51.2	-172.3	29.8	0	0	109.8	I169 V267 T268 A287 G288 L289	I169-Q276 PolarHBondContact O-NE2 3.25Å; V267-Q276 PolarHBondContact N-O 3.48Å; T268-Q276 HydrophobicContact CG2-CB 3.55Å; T268-Q276 HydrophobicContact CG2-CG 3.58Å; T268-Q276 PolarHBondContact N-O 3.3Å; T268-Q276 PolarHBondContact O-N 3.31Å; T268-Q276 VanDerWaalsContact O-N 3.13Å; Q276-A287 HydrophobicContact CB-CB 3.93Å; Q276-G288 WeakPolarHBondContact CA-O 3.41Å; Q276-L289 HydrophobicContact CG-CD2 4.11Å
277	A	93.5	Very high	87.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.3	-178	0	0	0	0	0	111.9	L256 L264 Q265 V266 A287 G288 I290	L256-A277 HydrophobicContact CD2-CB 4.33Å; L264-A277 HydrophobicContact CB-CB 4.45Å; Q265-A277 CarbonylContact O-C 3.54Å; Q265-A277 WeakPolarHBondContact O-CA 3.38Å; Q265-A277 WeakPolarHBondContact O-CB 3.47Å; V266-A277 HydrophobicContact CG2-CB 4.45Å; A277-A287 CarbonylContact O-C 3.54Å; A277-A287 WeakPolarHBondContact O-CA 3.3Å; A277-G288 PolarHBondContact N-O 3.37Å; A277-G288 PolarHBondContact O-N 2.87Å; A277-I290 HydrophobicContact CB-CD1 3.53Å; A277-I290 HydrophobicContact CB-CG1 3.97Å; A277-I290 HydrophobicContact CB-CG2 4.29Å
278	K	92.4	Very high	87.4	Confident	51 Å²	51	53.4 Å²	53.4	22%	0.222	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.1	170.7	-67.1	176	179.5	177.7	0	108.7	L264 Q265 V267 L285 A287	L264-K278 CarbonylContact C-O 3.56Å; L264-K278 WeakPolarHBondContact CA-O 3.47Å; Q265-K278 PolarHBondContact N-O 3.13Å; Q265-K278 PolarHBondContact O-N 2.84Å; V267-K278 HydrophobicContact CG2-CD 4.36Å; V267-K278 HydrophobicContact CG2-CG 4.28Å; K278-L285 WeakPolarHBondContact CE-O 3.27Å; K278-L285 PolarHBondContact NZ-O 2.97Å; K278-A287 HydrophobicContact CG-CB 4.09Å
279	R	93.1	Very high	87.7	Confident	97 Å²	97	53 Å²	53	37%	0.366	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	130.3	170.9	-174.5	175.9	58.3	-171.5	-6.1	109.2	L264 G281 D282	L264-R279 HydrophobicContact CD2-CB 4.32Å; L264-R279 HydrophobicContact CD2-CG 4.49Å; R279-G281 PolarHBondContact O-N 3.35Å; R279-D282 HydrophobicContact CB-CB 4.34Å; R279-D282 IonicContact CZ-OD2 3.19Å; R279-D282 IonicContact NE-OD2 4Å; R279-D282 IonicContact NH2-OD2 2.82Å; R279-D282 PolarHBondContact NH2-OD2 3.26Å; R279-D282 VanDerWaalsContact O-CB 3.31Å; R279-D282 WeakPolarHBondContact O-CB 3.2Å; R279-D282 PolarHBondContact O-N 3.32Å
280	V	90.4	Very high	88.1	Confident	44 Å²	44	49.2 Å²	49.2	27%	0.267	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	130.6	178.7	176	0	0	0	0	109.7	Y234 I263 Q265 W607	Y234-V280 HydrophobicContact CD1-CG2 3.93Å; Y234-V280 HydrophobicContact CE1-CG2 4Å; I263-V280 HydrophobicContact CB-CB 4.25Å; I263-V280 HydrophobicContact CB-CG2 4.19Å; I263-V280 HydrophobicContact CG2-CB 4.35Å; I263-V280 HydrophobicContact CG2-CG2 3.79Å; I263-V280 PolarHBondContact O-N 3.08Å; Q265-V280 HydrophobicContact CB-CG2 4.24Å; V280-W607 HydrophobicContact CG1-CZ2 4.05Å; V280-W607 HydrophobicContact CG2-CZ2 4.32Å
281	G	83.3	Confident	88.6	Confident	85 Å²	85	44.4 Å²	44.4	88%	0.876	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-4.7	-177.2	0	0	0	0	0	114	R279	R279-G281 PolarHBondContact O-N 3.35Å
282	D	84.5	Confident	89	Confident	65 Å²	65	42.5 Å²	42.5	35%	0.348	25%	0.249	S	C	.	.			trans	-80.6	138	169.4	-149.1	-42.8	0	0	0	110.3	R279 N284	R279-D282 HydrophobicContact CB-CB 4.34Å; R279-D282 IonicContact CZ-OD2 3.19Å; R279-D282 IonicContact NE-OD2 4Å; R279-D282 IonicContact NH2-OD2 2.82Å; R279-D282 PolarHBondContact NH2-OD2 3.26Å; R279-D282 VanDerWaalsContact O-CB 3.31Å; R279-D282 WeakPolarHBondContact O-CB 3.2Å; R279-D282 PolarHBondContact O-N 3.32Å; D282-N284 PolarHBondContact O-N 2.97Å; D282-N284 PolarHBondContact OD1-N 3.1Å
283	S	77.1	Confident	89.2	Confident	116 Å²	116	42.6 Å²	42.6	81%	0.811	24%	0.241	S	C	*	.			trans	-79.1	-6.1	176.9	54.4	0	0	0	0	112.6	L285	S283-L285 PolarHBondContact O-N 3.41Å
284	N	78.4	Confident	89.2	Confident	80 Å²	80	46.6 Å²	46.6	43%	0.428	26%	0.257	S	S	.	.			trans	-66.8	120.1	-178.5	-162.6	-12.4	0	0	0	111.7	D282 R286	D282-N284 PolarHBondContact O-N 2.97Å; D282-N284 PolarHBondContact OD1-N 3.1Å; N284-R286 VanDerWaalsContact C-N 3.28Å; N284-R286 PolarHBondContact O-N 3.34Å; N284-R286 PolarHBondContact OD1-N 3.39Å
285	L	73.3	Confident	89.1	Confident	117 Å²	117	48 Å²	48	61%	0.613	26%	0.263	S	S	*	.			trans	-75.7	-16.9	177.6	-65.2	175.1	0	0	0	112.7	G172 K278 S283	G172-L285 WeakPolarHBondContact CA-O 3.4Å; K278-L285 WeakPolarHBondContact CE-O 3.27Å; K278-L285 PolarHBondContact NZ-O 2.97Å; S283-L285 PolarHBondContact O-N 3.41Å
286	R	85.8	Confident	89.1	Confident	61 Å²	61	47.3 Å²	47.3	23%	0.23	26%	0.261	C	S	.	.	S	Bend	trans	-91.7	131.3	-179.2	-171	-179.8	64.9	150.3	-0.9	111.2	P150 M170 N284	P150-R286 VanDerWaalsContact CG-CZ 3.5Å; M170-R286 HydrophobicContact CB-CG 4.28Å; N284-R286 VanDerWaalsContact C-N 3.28Å; N284-R286 PolarHBondContact O-N 3.34Å; N284-R286 PolarHBondContact OD1-N 3.39Å
287	A	90.3	Very high	89	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	27%	0.272	C	S	.	.			trans	-70.2	149	169.9	0	0	0	0	0	110.9	M170 R171 V267 Q276 A277 K278	M170-A287 WeakPolarHBondContact CE-O 3.35Å; R171-A287 HydrophobicContact CB-CB 4.11Å; R171-A287 PolarHBondContact O-N 3.23Å; V267-A287 HydrophobicContact CG2-CB 4.32Å; Q276-A287 HydrophobicContact CB-CB 3.93Å; A277-A287 CarbonylContact O-C 3.54Å; A277-A287 WeakPolarHBondContact O-CA 3.3Å; K278-A287 HydrophobicContact CG-CB 4.09Å
288	G	92	Very high	88.8	Confident	9 Å²	9	56.1 Å²	56.1	9%	0.093	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	167.1	170.7	0	0	0	0	0	111.6	A254 Q276 A277	A254-G288 CarbonylContact O-C 3.59Å; A254-G288 WeakPolarHBondContact O-CA 3.27Å; Q276-G288 WeakPolarHBondContact CA-O 3.41Å; A277-G288 PolarHBondContact N-O 3.37Å; A277-G288 PolarHBondContact O-N 2.87Å
289	L	93.8	Very high	88.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132	-178.5	-60.8	178.2	0	0	0	111.1	M170 A254 G255 L256 W274 W275 Q276	M170-L289 HydrophobicContact CE-CD2 4Å; M170-L289 HydrophobicContact CE-CG 4.03Å; M170-L289 HydrophobicContact SD-CD2 4.17Å; M170-L289 HydrophobicContact SD-CG 4.44Å; A254-L289 HydrophobicContact CB-CD1 3.95Å; A254-L289 HydrophobicContact CB-CG 4.17Å; A254-L289 PolarHBondContact O-N 2.84Å; G255-L289 WeakPolarHBondContact CA-O 3.18Å; L256-L289 PolarHBondContact N-O 2.81Å; W274-L289 HydrophobicContact CB-CD2 4.48Å; W274-L289 HydrophobicContact CE3-CB 4.2Å; W275-L289 WeakPolarHBondContact O-CA 3.36Å; Q276-L289 HydrophobicContact CG-CD2 4.11Å
290	I	95	Very high	88.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.7	170.1	64.6	170	0	0	0	109.3	L256 F258 L264 V266 W274 W275 A277 S292 Y398	L256-I290 HydrophobicContact CB-CG2 3.82Å; L256-I290 HydrophobicContact CD2-CG2 4.01Å; L256-I290 HydrophobicContact CG-CG2 4.34Å; F258-I290 HydrophobicContact CD1-CG2 4Å; F258-I290 HydrophobicContact CE1-CB 4.03Å; F258-I290 HydrophobicContact CE1-CG2 3.69Å; L264-I290 HydrophobicContact CD1-CD1 3.99Å; L264-I290 HydrophobicContact CD1-CG2 4.49Å; V266-I290 HydrophobicContact CG2-CD1 4.45Å; W274-I290 CarbonylContact C-O 3.59Å; W274-I290 WeakPolarHBondContact CA-O 3.39Å; W275-I290 HydrophobicContact CB-CD1 4.4Å; W275-I290 HydrophobicContact CB-CG1 3.87Å; W275-I290 HydrophobicContact CE3-CD1 4.42Å; W275-I290 PolarHBondContact N-O 2.87Å; W275-I290 PolarHBondContact O-N 2.76Å; A277-I290 HydrophobicContact CB-CD1 3.53Å; A277-I290 HydrophobicContact CB-CG1 3.97Å; A277-I290 HydrophobicContact CB-CG2 4.29Å; I290-S292 PolarHBondContact O-N 2.79Å; I290-Y398 HydrophobicContact CD1-CE1 4.43Å
291	P	95.1	Very high	88.2	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.9	175.5	26.3	-32.8	0	0	0	109.6	F239 Y241 W274 F295 Y398	F239-P291 HydrophobicContact CZ-CG 4.16Å; Y241-P291 HydrophobicContact CD2-CG 4.25Å; Y241-P291 HydrophobicContact CE2-CG 4.25Å; Y241-P291 HydrophobicContact CG-CG 4.47Å; W274-P291 HydrophobicContact CH2-CB 4.41Å; W274-P291 HydrophobicContact CZ3-CB 4.15Å; P291-F295 HydrophobicContact CB-CD1 4Å; P291-Y398 WeakPolarHBondContact O-CE2 3.45Å; P291-Y398 PolarHBondContact O-OH 2.94Å
292	S	93.2	Very high	88.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.007	27%	0.272	C	S	.	.			trans	-64	156.9	174.6	78.4	0	0	0	0	111	P272 T273 W275 I290 Q294 F295 Q296	P272-S292 VanDerWaalsContact O-CB 3.25Å; P272-S292 WeakPolarHBondContact O-CB 3.16Å; P272-S292 PolarHBondContact O-OG 2.96Å; T273-S292 PolarHBondContact O-N 3.12Å; W275-S292 VanDerWaalsContact CE2-CB 3.46Å; I290-S292 PolarHBondContact O-N 2.79Å; S292-Q294 PolarHBondContact O-N 3.42Å; S292-F295 PolarHBondContact O-N 3.1Å; S292-F295 WeakPolarHBondContact OG-CB 3.25Å; S292-F295 PolarHBondContact OG-N 3.34Å; S292-Q296 WeakPolarHBondContact O-CB 3.43Å; S292-Q296 PolarHBondContact O-N 2.82Å
293	K	92	Very high	88.3	Confident	84 Å²	84	57 Å²	57	37%	0.365	27%	0.272	S	S	.	.	H	α-helix	trans	-53.6	-52.4	176.4	-179.3	171.8	176.1	176.1	0	111.5	W275 F295 Q296 E297 Y398	W275-K293 HydrophobicContact CH2-CB 3.53Å; W275-K293 HydrophobicContact CZ2-CB 4.24Å; W275-K293 HydrophobicContact CZ3-CB 4.13Å; K293-F295 VanDerWaalsContact C-N 3.33Å; K293-F295 PolarHBondContact O-N 3.25Å; K293-Q296 PolarHBondContact O-N 3.02Å; K293-E297 WeakPolarHBondContact CE-OE1 2.9Å; K293-E297 WeakPolarHBondContact CG-OE1 3.22Å; K293-E297 VanDerWaalsContact O-CG 3.31Å; K293-E297 WeakPolarHBondContact O-CG 3.4Å; K293-E297 PolarHBondContact O-N 2.9Å; K293-Y398 HydrophobicContact CB-CD2 4.15Å
294	Q	91.1	Very high	88.4	Confident	123 Å²	123	54.4 Å²	54.4	58%	0.575	25%	0.247	S	C	*	.	H	α-helix	trans	-63.9	-35.7	-179	-63.4	178.4	11.4	0	0	112.9	S292 R298	S292-Q294 PolarHBondContact O-N 3.42Å; Q294-R298 WeakPolarHBondContact O-CG 3.36Å; Q294-R298 PolarHBondContact O-N 3.25Å; Q294-R298 VanDerWaalsContact O-N 3.12Å; Q294-R298 PolarHBondContact O-NE 3.47Å
295	F	92.2	Very high	88.5	Confident	38 Å²	38	59.4 Å²	59.4	17%	0.167	27%	0.265	C	S	.	.	H	α-helix	trans	-69.1	-41.8	176.7	-177.5	-119	0	0	0	111.5	A248 T273 W274 P291 S292 K293 R298 R299	A248-F295 HydrophobicContact CB-CZ 4.16Å; T273-F295 HydrophobicContact CG2-CD2 4.26Å; W274-F295 HydrophobicContact CH2-CE1 4.39Å; W274-F295 HydrophobicContact CZ2-CD1 4.4Å; W274-F295 AromaticContact CZ2-CE1 3.71Å; W274-F295 HydrophobicContact CZ2-CE1 3.71Å; W274-F295 HydrophobicContact CZ2-CZ 4.49Å; P291-F295 HydrophobicContact CB-CD1 4Å; S292-F295 PolarHBondContact O-N 3.1Å; S292-F295 WeakPolarHBondContact OG-CB 3.25Å; S292-F295 PolarHBondContact OG-N 3.34Å; K293-F295 VanDerWaalsContact C-N 3.33Å; K293-F295 PolarHBondContact O-N 3.25Å; F295-R298 PolarHBondContact O-N 3.04Å; F295-R299 HydrophobicContact CZ-CG 4.41Å; F295-R299 WeakPolarHBondContact O-CG 3.31Å; F295-R299 PolarHBondContact O-N 2.75Å; F295-R299 VanDerWaalsContact O-N 3.07Å
296	Q	92	Very high	88.7	Confident	11 Å²	11	59.4 Å²	59.4	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-41.3	176.8	-176.3	64.2	-0.2	0	0	112.4	F239 S292 K293 R298 R299 L300 T397	F239-Q296 HydrophobicContact CE1-CG 4.14Å; F239-Q296 HydrophobicContact CE2-CG 4.36Å; F239-Q296 HydrophobicContact CZ-CG 3.93Å; S292-Q296 WeakPolarHBondContact O-CB 3.43Å; S292-Q296 PolarHBondContact O-N 2.82Å; K293-Q296 PolarHBondContact O-N 3.02Å; Q296-R298 VanDerWaalsContact C-N 3.35Å; Q296-R298 PolarHBondContact O-N 2.58Å; Q296-R299 PolarHBondContact O-N 2.87Å; Q296-L300 HydrophobicContact CG-CD1 4.17Å; Q296-L300 WeakPolarHBondContact O-CG 3.48Å; Q296-L300 PolarHBondContact O-N 3.45Å; Q296-T397 HydrophobicContact CB-CG2 4.01Å; Q296-T397 HydrophobicContact CG-CG2 3.62Å
297	E	90.9	Very high	87.7	Confident	58 Å²	58	59.6 Å²	59.6	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-59.3	-44.7	174.3	-72.5	168.7	173.4	0	0	111.4	K293 R299 L300 A301 F395 T397	K293-E297 WeakPolarHBondContact CE-OE1 2.9Å; K293-E297 WeakPolarHBondContact CG-OE1 3.22Å; K293-E297 VanDerWaalsContact O-CG 3.31Å; K293-E297 WeakPolarHBondContact O-CG 3.4Å; K293-E297 PolarHBondContact O-N 2.9Å; E297-R299 PolarHBondContact O-N 2.91Å; E297-L300 PolarHBondContact O-N 2.74Å; E297-A301 WeakPolarHBondContact O-CB 3.48Å; E297-A301 PolarHBondContact O-N 3.39Å; E297-F395 HydrophobicContact CB-CD2 4.09Å; E297-F395 HydrophobicContact CG-CB 4.2Å; E297-F395 HydrophobicContact CG-CD2 3.98Å; E297-F395 HydrophobicContact CG-CG 4.47Å; E297-T397 HydrophobicContact CG-CG2 3.88Å
298	R	89	Confident	86.5	Confident	136 Å²	136	64.2 Å²	64.2	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-43	174.6	-76.4	-176.9	-74.3	174.2	-3.9	112.4	Q294 F295 Q296 L300 A301 Y302	Q294-R298 WeakPolarHBondContact O-CG 3.36Å; Q294-R298 PolarHBondContact O-N 3.25Å; Q294-R298 VanDerWaalsContact O-N 3.12Å; Q294-R298 PolarHBondContact O-NE 3.47Å; F295-R298 PolarHBondContact O-N 3.04Å; Q296-R298 VanDerWaalsContact C-N 3.35Å; Q296-R298 PolarHBondContact O-N 2.58Å; R298-L300 VanDerWaalsContact C-N 3.34Å; R298-L300 PolarHBondContact O-N 3.16Å; R298-A301 PolarHBondContact O-N 3.45Å; R298-Y302 WeakPolarHBondContact O-CB 3.5Å; R298-Y302 PolarHBondContact O-N 2.93Å
299	R	89	Confident	84.7	Confident	73 Å²	73	66.3 Å²	66.3	28%	0.275	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-37.5	176.1	-69.3	174.4	78.4	174.2	10	112.4	D246 F295 Q296 E297 R303	D246-R299 VanDerWaalsContact CG-NH2 3.32Å; D246-R299 IonicContact OD1-CZ 2.73Å; D246-R299 IonicContact OD1-NH1 3.9Å; D246-R299 PolarHBondContact OD1-NH1 2.86Å; D246-R299 IonicContact OD1-NH2 2.58Å; D246-R299 PolarHBondContact OD1-NH2 2.82Å; D246-R299 IonicContact OD2-CZ 3.45Å; D246-R299 IonicContact OD2-NH1 3.45Å; D246-R299 PolarHBondContact OD2-NH1 3.13Å; D246-R299 IonicContact OD2-NH2 2.78Å; D246-R299 PolarHBondContact OD2-NH2 2.79Å; F295-R299 HydrophobicContact CZ-CG 4.41Å; F295-R299 WeakPolarHBondContact O-CG 3.31Å; F295-R299 PolarHBondContact O-N 2.75Å; F295-R299 VanDerWaalsContact O-N 3.07Å; Q296-R299 PolarHBondContact O-N 2.87Å; E297-R299 PolarHBondContact O-N 2.91Å; R299-R303 WeakPolarHBondContact O-CB 3.21Å; R299-R303 WeakPolarHBondContact O-CG 3.48Å; R299-R303 PolarHBondContact O-N 2.84Å; R299-R303 VanDerWaalsContact O-N 3.15Å; R299-R303 PolarHBondContact O-NE 3.49Å; R299-R303 VanDerWaalsContact O-NE 3.17Å
300	L	87.2	Confident	82.4	Confident	19 Å²	19	71.6 Å²	71.6	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-71.2	-46.1	177.6	-73.6	165.5	0	0	0	111.4	Q296 E297 R298 Y302 R303 M304 L309 F395 T397	Q296-L300 HydrophobicContact CG-CD1 4.17Å; Q296-L300 WeakPolarHBondContact O-CG 3.48Å; Q296-L300 PolarHBondContact O-N 3.45Å; E297-L300 PolarHBondContact O-N 2.74Å; R298-L300 VanDerWaalsContact C-N 3.34Å; R298-L300 PolarHBondContact O-N 3.16Å; L300-Y302 VanDerWaalsContact C-N 3.32Å; L300-Y302 PolarHBondContact O-N 3.21Å; L300-R303 PolarHBondContact O-N 3.28Å; L300-M304 WeakPolarHBondContact O-CG 3.35Å; L300-M304 PolarHBondContact O-N 3.19Å; L300-L309 HydrophobicContact CD2-CD1 3.75Å; L300-F395 HydrophobicContact CB-CD1 3.51Å; L300-F395 HydrophobicContact CB-CE1 3.59Å; L300-F395 HydrophobicContact CB-CG 4.15Å; L300-F395 HydrophobicContact CB-CZ 4.29Å; L300-F395 HydrophobicContact CD1-CB 3.78Å; L300-F395 HydrophobicContact CD1-CD1 3.84Å; L300-F395 HydrophobicContact CD1-CG 4.02Å; L300-F395 HydrophobicContact CG-CD1 4.23Å; L300-T397 HydrophobicContact CD1-CG2 3.96Å
301	A	87	Confident	79.8	Confident	34 Å²	34	76.9 Å²	76.9	28%	0.281	38%	0.384	S	S	.	.	H	α-helix	trans	-59.6	-42	176.1	0	0	0	0	0	111.9	E297 R298 M304 K305 F395	E297-A301 WeakPolarHBondContact O-CB 3.48Å; E297-A301 PolarHBondContact O-N 3.39Å; R298-A301 PolarHBondContact O-N 3.45Å; A301-M304 PolarHBondContact O-N 2.8Å; A301-K305 WeakPolarHBondContact O-CG 3.49Å; A301-K305 PolarHBondContact O-N 2.92Å; A301-F395 HydrophobicContact CB-CE2 4.31Å; A301-F395 HydrophobicContact CB-CZ 3.94Å
302	Y	85.6	Confident	77.3	Confident	147 Å²	147	82.1 Å²	82.1	58%	0.576	42%	0.418	S	S	*	.	H	α-helix	trans	-63.2	-45.2	175.5	-175.1	-96.5	0	0	0	112.1	R298 L300 M304 K305 M306	R298-Y302 WeakPolarHBondContact O-CB 3.5Å; R298-Y302 PolarHBondContact O-N 2.93Å; L300-Y302 VanDerWaalsContact C-N 3.32Å; L300-Y302 PolarHBondContact O-N 3.21Å; Y302-M304 VanDerWaalsContact C-N 3.32Å; Y302-M304 PolarHBondContact O-N 2.91Å; Y302-K305 PolarHBondContact O-N 2.9Å; Y302-M306 HydrophobicContact CD1-CG 4.09Å; Y302-M306 HydrophobicContact CE1-CE 4.45Å; Y302-M306 HydrophobicContact CE1-CG 3.68Å; Y302-M306 HydrophobicContact CE2-CG 4.33Å; Y302-M306 WeakPolarHBondContact O-CG 3.3Å; Y302-M306 PolarHBondContact O-N 3.13Å
303	R	83.9	Confident	74.7	Confident	88 Å²	88	90 Å²	90	33%	0.332	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-36.1	176.5	-77.1	-178.8	-72.8	174.7	-8.9	113.2	R299 L300 M306 G307 T308 L309	R299-R303 WeakPolarHBondContact O-CB 3.21Å; R299-R303 WeakPolarHBondContact O-CG 3.48Å; R299-R303 PolarHBondContact O-N 2.84Å; R299-R303 VanDerWaalsContact O-N 3.15Å; R299-R303 PolarHBondContact O-NE 3.49Å; R299-R303 VanDerWaalsContact O-NE 3.17Å; L300-R303 PolarHBondContact O-N 3.28Å; R303-M306 PolarHBondContact O-N 2.96Å; R303-G307 PolarHBondContact O-N 3.32Å; R303-T308 WeakPolarHBondContact CA-OG1 3.4Å; R303-T308 WeakPolarHBondContact CB-OG1 3.48Å; R303-T308 PolarHBondContact O-N 3.41Å; R303-T308 PolarHBondContact O-OG1 2.89Å; R303-L309 HydrophobicContact CB-CB 4.43Å; R303-L309 HydrophobicContact CB-CD1 3.6Å; R303-L309 HydrophobicContact CG-CD1 4.39Å
304	M	79.9	Confident	71.7	Confident	62 Å²	62	90.5 Å²	90.5	31%	0.305	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-45.6	173	-76.8	-169.9	171.7	0	0	111.7	L300 A301 Y302 M306 G307 L309 T393 F395	L300-M304 WeakPolarHBondContact O-CG 3.35Å; L300-M304 PolarHBondContact O-N 3.19Å; A301-M304 PolarHBondContact O-N 2.8Å; Y302-M304 VanDerWaalsContact C-N 3.32Å; Y302-M304 PolarHBondContact O-N 2.91Å; M304-M306 VanDerWaalsContact C-N 3.27Å; M304-M306 PolarHBondContact O-N 3.16Å; M304-G307 PolarHBondContact O-N 2.86Å; M304-G307 VanDerWaalsContact O-N 3.14Å; M304-L309 HydrophobicContact CG-CB 4.29Å; M304-T393 HydrophobicContact CE-CG2 4.23Å; M304-T393 HydrophobicContact SD-CG2 4.25Å; M304-F395 HydrophobicContact CE-CD1 4.36Å; M304-F395 HydrophobicContact CE-CE1 3.74Å; M304-F395 HydrophobicContact SD-CE1 3.66Å; M304-F395 HydrophobicContact SD-CZ 4.14Å
305	K	80.8	Confident	68.9	Low	185 Å²	185	90.1 Å²	90.1	80%	0.804	48%	0.475	S	S	*	.	H	α-helix	trans	-61.6	-35.5	176	-72.7	-179.3	-179.7	-174.6	0	112.6	A301 Y302 G307	A301-K305 WeakPolarHBondContact O-CG 3.49Å; A301-K305 PolarHBondContact O-N 2.92Å; Y302-K305 PolarHBondContact O-N 2.9Å; K305-G307 VanDerWaalsContact C-N 3.29Å; K305-G307 PolarHBondContact O-N 3.3Å
306	M	76.8	Confident	65.9	Low	117 Å²	117	97.7 Å²	97.7	58%	0.576	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	2.2	178.3	-67	-72.9	-82.9	0	0	113.8	Y302 R303 M304 T308	Y302-M306 HydrophobicContact CD1-CG 4.09Å; Y302-M306 HydrophobicContact CE1-CE 4.45Å; Y302-M306 HydrophobicContact CE1-CG 3.68Å; Y302-M306 HydrophobicContact CE2-CG 4.33Å; Y302-M306 WeakPolarHBondContact O-CG 3.3Å; Y302-M306 PolarHBondContact O-N 3.13Å; R303-M306 PolarHBondContact O-N 2.96Å; M304-M306 VanDerWaalsContact C-N 3.27Å; M304-M306 PolarHBondContact O-N 3.16Å; M306-T308 HydrophobicContact CB-CG2 4.39Å; M306-T308 PolarHBondContact O-N 3.15Å
307	G	65.3	Low	62.9	Low	65 Å²	65	105.8 Å²	105.8	67%	0.67	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	12.4	177.5	0	0	0	0	0	115.6	R303 M304 K305	R303-G307 PolarHBondContact O-N 3.32Å; M304-G307 PolarHBondContact O-N 2.86Å; M304-G307 VanDerWaalsContact O-N 3.14Å; K305-G307 VanDerWaalsContact C-N 3.29Å; K305-G307 PolarHBondContact O-N 3.3Å
308	T	65.2	Low	59.9	Low	97 Å²	97	109 Å²	109	60%	0.595	57%	0.569	S	S	*	*			trans	-88.4	-5.7	-177.1	57.8	0	0	0	0	113.8	R303 M306	R303-T308 WeakPolarHBondContact CA-OG1 3.4Å; R303-T308 WeakPolarHBondContact CB-OG1 3.48Å; R303-T308 PolarHBondContact O-N 3.41Å; R303-T308 PolarHBondContact O-OG1 2.89Å; M306-T308 HydrophobicContact CB-CG2 4.39Å; M306-T308 PolarHBondContact O-N 3.15Å
309	L	53.3	Low	57	Low	53 Å²	53	107.3 Å²	107.3	28%	0.277	58%	0.583	S	S	.	*	S	Bend	trans	-121.9	128.3	176.8	-115	147.6	0	0	0	108.8	L300 R303 M304 N311	L300-L309 HydrophobicContact CD2-CD1 3.75Å; R303-L309 HydrophobicContact CB-CB 4.43Å; R303-L309 HydrophobicContact CB-CD1 3.6Å; R303-L309 HydrophobicContact CG-CD1 4.39Å; M304-L309 HydrophobicContact CG-CB 4.29Å; L309-N311 PolarHBondContact O-N 2.79Å
310	P	46.3	Very low	54	Low	112 Å²	112	109.3 Å²	109.3	73%	0.727	61%	0.608	S	S	*	*			trans	-61.4	132	174.6	-11.9	21.1	0	0	0	110.3
311	N	39.3	Very low	51.2	Low	112 Å²	112	117.6 Å²	117.6	60%	0.599	65%	0.647	S	S	*	*			trans	-62.5	127.8	172.5	-170.3	-5	0	0	0	108.9	L309 K313	L309-N311 PolarHBondContact O-N 2.79Å; N311-K313 PolarHBondContact O-N 3.03Å; N311-K313 PolarHBondContact OD1-N 2.8Å
312	P	43.6	Very low	48.3	Very low	110 Å²	110	119.8 Å²	119.8	71%	0.714	67%	0.673	S	S	*	*	S	Bend	trans	-64.4	-5	177.7	22.4	-32.1	0	0	0	114.1
313	K	37.5	Very low	45.4	Very low	167 Å²	167	118.9 Å²	118.9	73%	0.726	69%	0.687	S	S	*	*	S	Bend	trans	-102.5	114	172.5	-64.3	-175.1	-177.6	177.6	0	111	N311	N311-K313 PolarHBondContact O-N 3.03Å; N311-K313 PolarHBondContact OD1-N 2.8Å
314	S	29.2	Very low	42.7	Very low	94 Å²	94	122 Å²	122	66%	0.657	71%	0.71	S	S	*	*			trans	88	124.6	168.9	76.8	0	0	0	0	118.3	K316	S314-K316 PolarHBondContact O-N 3.17Å
315	P	33.4	Very low	40.3	Very low	115 Å²	115	127.3 Å²	127.3	75%	0.747	73%	0.731	S	S	*	*			trans	-76.3	112.2	165	29.1	-28.3	0	0	0	109.6
316	K	29.6	Very low	37.8	Very low	196 Å²	196	126.6 Å²	126.6	85%	0.852	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-70.8	127.4	165	-76.6	-175	176.6	-178.7	0	108.9	S314	S314-K316 PolarHBondContact O-N 3.17Å
317	K	28.8	Very low	35.3	Very low	181 Å²	181	128.6 Å²	128.6	79%	0.787	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-60.3	145	170.2	-74	179.3	177.7	177.1	0	109.6	A319	K317-A319 PolarHBondContact O-N 2.95Å
318	P	28.3	Very low	33.5	Very low	127 Å²	127	131.8 Å²	131.8	83%	0.825	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-67.2	132.2	172.2	27.9	-31.1	0	0	0	109.7
319	A	26.9	Very low	31.5	Very low	99 Å²	99	134.7 Å²	134.7	82%	0.818	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-68.3	124.7	168.5	0	0	0	0	0	108.6	K317	K317-A319 PolarHBondContact O-N 2.95Å
320	S	27.1	Very low	30.2	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.4	123.8	166.7	52.3	0	0	0	0	108.7
321	E	28.1	Very low	29.1	Very low	193 Å²	193	142.5 Å²	142.5	90%	0.902	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.4	144.9	167.5	-72.1	174	147.9	0	0	110.7
322	G	25.6	Very low	28.4	Very low	81 Å²	81	140.3 Å²	140.3	84%	0.835	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.1	155.8	-171.1	0	0	0	0	0	114.3
323	C	24.9	Very low	27.6	Very low	128 Å²	128	146 Å²	146	87%	0.865	82%	0.817	S	S	*	*			trans	-136.5	115.9	150.2	-161.8	0	0	0	0	106.9
324	D	27	Very low	26.9	Very low	152 Å²	152	146.9 Å²	146.9	81%	0.813	82%	0.821	S	S	*	*			trans	-60.6	139.1	171.3	-62.2	-54	0	0	0	110.5
325	K	30	Very low	26.7	Very low	175 Å²	175	150 Å²	150	76%	0.761	83%	0.831	S	S	*	*				176.8	123.4	120.7	-98	177	178	179.8	0	113.3
326	E	27.5	Very low	26.3	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	83%	0.827	S	S	*	*			trans	68.8	122	134.2	-67.3	168.4	-171.4	0	0	119.9
327	D	24.1	Very low	26	Very low	158 Å²	158	147.6 Å²	147.6	85%	0.845	83%	0.83	S	S	*	*			trans	-51.1	142.4	168.6	-60.7	-56.7	0	0	0	112.9
328	C	27.5	Very low	25.8	Very low	133 Å²	133	149.4 Å²	149.4	90%	0.899	83%	0.833	S	S	*	*			trans	-161.3	124	144.1	-103.3	0	0	0	0	109.8
329	D	23.5	Very low	25.6	Very low	158 Å²	158	150.8 Å²	150.8	85%	0.845	83%	0.832	S	S	*	*			trans	-54.5	146.5	176.3	-60.2	-59.2	0	0	0	113.8
330	C	25.7	Very low	25.5	Very low	130 Å²	130	153.7 Å²	153.7	88%	0.878	83%	0.829	S	S	*	*				173.6	129.7	116	-98.7	0	0	0	0	112.2
331	E	22.6	Very low	25.4	Very low	199 Å²	199	154 Å²	154	93%	0.93	83%	0.831	S	S	*	*			trans	-62.8	155.2	161.9	-59	-164	144	0	0	112.1
332	G	24.7	Very low	25.2	Very low	65 Å²	65	153.7 Å²	153.7	67%	0.67	83%	0.83	S	S	*	*			trans	144.8	106	146.9	0	0	0	0	0	118.1
333	Y	26.7	Very low	25.2	Very low	230 Å²	230	153.5 Å²	153.5	90%	0.902	83%	0.828	S	S	*	*			trans	63.5	115.5	137.3	-77.1	-89.4	0	0	0	122.6
334	F	23.9	Very low	25.1	Very low	186 Å²	186	156.3 Å²	156.3	82%	0.816	83%	0.83	S	S	*	*			trans	2.7	126.2	130.5	-98.6	-100.6	0	0	0	118.2
335	N	25.2	Very low	24.9	Very low	160 Å²	160	155.1 Å²	155.1	86%	0.856	83%	0.828	S	S	*	*				-170.5	139.9	112.1	-106.3	-14	0	0	0	111.7
336	G	24	Very low	24.6	Very low	66 Å²	66	152.2 Å²	152.2	68%	0.68	83%	0.83	S	S	*	*			trans	-83.1	167.3	175.8	0	0	0	0	0	113.2
337	Q	24.6	Very low	24.4	Very low	194 Å²	194	148.7 Å²	148.7	91%	0.907	82%	0.824	S	S	*	*			trans	-161.5	121.9	149.7	-115.5	167.7	-6.1	0	0	111.2
338	Y	23.3	Very low	24.3	Very low	218 Å²	218	150.7 Å²	150.7	86%	0.855	83%	0.825	S	S	*	*			trans	-62.8	137	159.9	-107.4	-104.8	0	0	0	110
339	I	25.7	Very low	24.1	Very low	157 Å²	157	151 Å²	151	81%	0.805	83%	0.827	S	S	*	*			trans	-141.7	117.2	147.3	-63.9	-172.2	0	0	0	109
340	E	23	Very low	24.1	Very low	160 Å²	160	153.1 Å²	153.1	75%	0.748	83%	0.829	S	S	*	*			trans	-65	145	161.9	-75.4	178.6	132.4	0	0	111
341	S	26.3	Very low	24	Very low	120 Å²	120	151.9 Å²	151.9	84%	0.839	83%	0.828	S	S	*	*			trans	-145.6	123.9	146.3	50.5	0	0	0	0	110.9
342	Q	23.9	Very low	24.1	Very low	188 Å²	188	148.4 Å²	148.4	88%	0.879	82%	0.82	S	S	*	*			trans	-73.6	154.1	173.2	-64.8	177.5	-10.4	0	0	110.7
343	G	24.6	Very low	24.3	Very low	77 Å²	77	149.6 Å²	149.6	79%	0.794	82%	0.824	S	S	*	*			trans	-169.9	68.9	175.6	0	0	0	0	0	115.4
344	M	22.3	Very low	24.3	Very low	186 Å²	186	144.8 Å²	144.8	92%	0.916	82%	0.821	S	S	*	*			trans	46.6	107.4	131.7	-143.8	165.3	163	0	0	122.5
345	V	24.1	Very low	24.3	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	82%	0.819	S	S	*	*			trans	12.7	130.1	133.6	-165.6	0	0	0	0	121.8
346	S	22.6	Very low	24.1	Very low	114 Å²	114	140.3 Å²	140.3	80%	0.797	82%	0.823	S	S	*	*			trans	-173.3	109.7	135.2	-170.8	0	0	0	0	109.5
347	S	23.7	Very low	24.1	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	82%	0.823	S	S	*	*				78.5	101	73	-69	0	0	0	0	117.3
348	K	22.5	Very low	24.3	Very low	201 Å²	201	140.3 Å²	140.3	87%	0.874	82%	0.823	S	S	*	*			trans	61.6	133.9	141	-81.2	173.9	175.6	169	0	121.7
349	C	23.9	Very low	24.2	Very low	138 Å²	138	136.1 Å²	136.1	93%	0.932	82%	0.82	S	S	*	*				-166.8	149.6	108.5	-99.6	0	0	0	0	114.2
350	K	23.5	Very low	24.1	Very low	203 Å²	203	138.7 Å²	138.7	88%	0.883	83%	0.826	S	S	*	*			trans	-94	157.5	-175.2	-87.8	171.4	165.4	177.6	0	111.7
351	A	23.7	Very low	24.1	Very low	105 Å²	105	135.4 Å²	135.4	87%	0.868	82%	0.82	S	S	*	*			trans	-150.6	147.3	146.3	0	0	0	0	0	111.2
352	V	23.7	Very low	23.8	Very low	126 Å²	126	140.6 Å²	140.6	76%	0.764	82%	0.821	S	S	*	*			trans	-129.4	130.8	-167.2	168.7	0	0	0	0	110.7
353	A	28.3	Very low	23.8	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	81%	0.809	S	S	*	*			trans	59.2	158.7	148.1	0	0	0	0	0	120.7
354	P	28.2	Very low	23.8	Very low	129 Å²	129	141.9 Å²	141.9	84%	0.838	80%	0.804	S	S	*	*				-138.6	179.9	50.4	35.2	-12	0	0	0	118.2
355	S	22.6	Very low	24.1	Very low	113 Å²	113	140.1 Å²	140.1	79%	0.79	79%	0.789	S	S	*	*			trans	-68.8	155.8	-170.1	59.3	0	0	0	0	118.4
356	C	21.5	Very low	24.4	Very low	138 Å²	138	135.9 Å²	135.9	93%	0.932	77%	0.765	S	S	*	*				166.2	143	115.1	-167.2	0	0	0	0	111.1
357	G	23.8	Very low	24.8	Very low	65 Å²	65	131.7 Å²	131.7	67%	0.67	74%	0.737	S	S	*	*			trans	121.9	78	161.3	0	0	0	0	0	115.7	V359	G357-V359 PolarHBondContact O-N 2.99Å
358	Q	28.1	Very low	25.2	Very low	195 Å²	195	127.9 Å²	127.9	91%	0.911	71%	0.713	S	S	*	*			trans	-64.5	113.3	168.6	-78.5	172.8	-56.7	0	0	110.7
359	V	23.2	Very low	25.9	Very low	130 Å²	130	119.6 Å²	119.6	79%	0.788	68%	0.678	S	S	*	*			trans	-123.3	124.7	155.9	178.2	0	0	0	0	105.7	G357 S361	G357-V359 PolarHBondContact O-N 2.99Å; V359-S361 PolarHBondContact O-N 3.18Å
360	F	23	Very low	26.6	Very low	212 Å²	212	122.2 Å²	122.2	93%	0.93	67%	0.669	S	S	*	*			trans	-56.9	97.3	179.2	-88.3	-99	0	0	0	110.2
361	S	21.6	Very low	27.4	Very low	90 Å²	90	117.3 Å²	117.3	63%	0.629	64%	0.644	S	S	*	*			trans	-95.2	104	174.4	-177.3	0	0	0	0	108.4	V359 E363	V359-S361 PolarHBondContact O-N 3.18Å; S361-E363 VanDerWaalsContact C-N 3.26Å; S361-E363 PolarHBondContact O-N 3.2Å
362	W	21.8	Very low	27.8	Very low	230 Å²	230	114.7 Å²	114.7	87%	0.871	62%	0.62	S	S	*	*			trans	-69.1	91.7	158.5	-104.9	-51.5	0	0	0	107.6	F364	W362-F364 VanDerWaalsContact C-N 3.33Å; W362-F364 HydrophobicContact CB-CD2 3.9Å; W362-F364 HydrophobicContact CB-CE2 3.61Å; W362-F364 HydrophobicContact CD2-CE2 4.49Å; W362-F364 AromaticContact CG-CE2 3.93Å; W362-F364 HydrophobicContact CG-CE2 3.93Å; W362-F364 HydrophobicContact CG-CZ 4.41Å; W362-F364 WeakPolarHBondContact O-CD2 3.41Å; W362-F364 PolarHBondContact O-N 3.33Å
363	E	22.5	Very low	28.4	Very low	131 Å²	131	110.7 Å²	110.7	61%	0.612	59%	0.592	S	S	*	*			trans	-70.6	90	169.4	-70.8	-174.4	157.7	0	0	109.4	S361 Y365	S361-E363 VanDerWaalsContact C-N 3.26Å; S361-E363 PolarHBondContact O-N 3.2Å; E363-Y365 HydrophobicContact CB-CD2 4.02Å; E363-Y365 HydrophobicContact CB-CE2 3.62Å; E363-Y365 HydrophobicContact CG-CE2 4.26Å; E363-Y365 PolarHBondContact O-N 3.32Å; E363-Y365 VanDerWaalsContact O-N 3.17Å; E363-Y365 WeakPolarHBondContact OE2-CE2 3.45Å
364	F	25.4	Very low	28.8	Very low	160 Å²	160	117.8 Å²	117.8	70%	0.702	60%	0.6	S	S	*	*			trans	-75.3	94.7	171.1	-79	-84.6	0	0	0	110	W362	W362-F364 VanDerWaalsContact C-N 3.33Å; W362-F364 HydrophobicContact CB-CD2 3.9Å; W362-F364 HydrophobicContact CB-CE2 3.61Å; W362-F364 HydrophobicContact CD2-CE2 4.49Å; W362-F364 AromaticContact CG-CE2 3.93Å; W362-F364 HydrophobicContact CG-CE2 3.93Å; W362-F364 HydrophobicContact CG-CZ 4.41Å; W362-F364 WeakPolarHBondContact O-CD2 3.41Å; W362-F364 PolarHBondContact O-N 3.33Å
365	Y	28.4	Very low	29.1	Very low	149 Å²	149	116.7 Å²	116.7	58%	0.584	59%	0.586	S	S	*	*			trans	-95.8	80.8	168	-68.5	-72.2	0	0	0	110.4	E363 E460	E363-Y365 HydrophobicContact CB-CD2 4.02Å; E363-Y365 HydrophobicContact CB-CE2 3.62Å; E363-Y365 HydrophobicContact CG-CE2 4.26Å; E363-Y365 PolarHBondContact O-N 3.32Å; E363-Y365 VanDerWaalsContact O-N 3.17Å; E363-Y365 WeakPolarHBondContact OE2-CE2 3.45Å; Y365-E460 WeakPolarHBondContact O-CG 3.25Å
366	S	30.5	Very low	29.2	Very low	38 Å²	38	116.4 Å²	116.4	27%	0.266	58%	0.584	S	S	.	*			trans	-94.9	127.8	169.8	-62.2	0	0	0	0	111.4	G368 Q430	S366-G368 PolarHBondContact O-N 2.74Å; S366-Q430 PolarHBondContact O-NE2 3.29Å
367	A	31.6	Very low	29.7	Very low	27 Å²	27	119.5 Å²	119.5	22%	0.223	58%	0.577	C	S	.	*			trans	-75.8	109.2	-171.8	0	0	0	0	0	112.5	E460 Y461	A367-E460 HydrophobicContact CB-CB 3.95Å; A367-E460 HydrophobicContact CB-CG 4.46Å; A367-Y461 HydrophobicContact CB-CD2 3.81Å; A367-Y461 HydrophobicContact CB-CE1 4.31Å; A367-Y461 HydrophobicContact CB-CE2 3.08Å; A367-Y461 WeakPolarHBondContact CB-OH 3.5Å
368	G	32.4	Very low	29.8	Very low	16 Å²	16	125.1 Å²	125.1	17%	0.165	58%	0.582	C	S	.	*			trans	-85	143.6	159.8	0	0	0	0	0	109.8	S366 R370 N426	S366-G368 PolarHBondContact O-N 2.74Å; G368-R370 PolarHBondContact O-N 3.13Å; G368-N426 WeakPolarHBondContact CA-OD1 3.23Å
369	L	36.1	Very low	29.8	Very low	27 Å²	27	122.6 Å²	122.6	14%	0.141	58%	0.575	C	S	.	*			trans	-61.8	103.5	173.8	-143.6	79.4	0	0	0	108.6	R371 F373 N426 Y489	L369-R371 PolarHBondContact O-N 3.1Å; L369-F373 HydrophobicContact CB-CE2 4.24Å; L369-F373 HydrophobicContact CD1-CE2 4.24Å; L369-F373 HydrophobicContact CD1-CZ 3.81Å; L369-F373 HydrophobicContact CD2-CD2 4.07Å; L369-F373 HydrophobicContact CD2-CE1 4.44Å; L369-F373 HydrophobicContact CD2-CE2 3.15Å; L369-F373 HydrophobicContact CD2-CZ 3.39Å; L369-F373 HydrophobicContact CG-CD2 4.49Å; L369-F373 HydrophobicContact CG-CE2 3.26Å; L369-F373 HydrophobicContact CG-CZ 3.34Å; L369-N426 PolarHBondContact O-ND2 2.82Å; L369-Y489 HydrophobicContact CD1-CD1 4.18Å; L369-Y489 HydrophobicContact CD1-CG 4.16Å
370	R	38.1	Very low	30.1	Very low	193 Å²	193	127.8 Å²	127.8	73%	0.728	58%	0.581	S	S	*	*			trans	-56	126.3	177.6	-86.1	-171.8	177.6	-155.6	0.1	108	G368 S372 F373	G368-R370 PolarHBondContact O-N 3.13Å; R370-S372 PolarHBondContact O-N 3.32Å; R370-F373 VanDerWaalsContact O-CE2 3.24Å; R370-F373 WeakPolarHBondContact O-CE2 3.43Å
371	R	40.3	Very low	30.5	Very low	100 Å²	100	127.1 Å²	127.1	38%	0.377	58%	0.581	S	S	.	*	S	Bend	trans	-67	38.6	177.7	-75.4	177.6	152.8	-130.7	-16.3	114	L369 G419 S420 I425	L369-R371 PolarHBondContact O-N 3.1Å; R371-G419 VanDerWaalsContact CZ-O 3.24Å; R371-G419 PolarHBondContact NH1-O 2.94Å; R371-G419 PolarHBondContact NH2-O 3.32Å; R371-S420 PolarHBondContact NH1-O 3.49Å; R371-I425 VanDerWaalsContact CZ-CD1 3.44Å
372	S	32	Very low	30.6	Very low	50 Å²	50	126.2 Å²	126.2	35%	0.35	59%	0.585	S	S	.	*			trans	-116.4	31.2	175.8	57.1	0	0	0	0	111.4	R370 R374 Y484	R370-S372 PolarHBondContact O-N 3.32Å; S372-R374 VanDerWaalsContact C-N 3.26Å; S372-R374 PolarHBondContact O-N 2.82Å; S372-Y484 VanDerWaalsContact O-CD2 3.24Å; S372-Y484 WeakPolarHBondContact O-CD2 3.46Å; S372-Y484 WeakPolarHBondContact O-CE2 3.37Å; S372-Y484 WeakPolarHBondContact OG-CE2 3.48Å
373	F	36.5	Very low	30.8	Very low	42 Å²	42	120.9 Å²	120.9	18%	0.184	58%	0.583	C	S	.	*			trans	-70.9	90.3	161.4	-62.1	-87.2	0	0	0	107.6	L369 R370 L375 E483 Y484 Y489	L369-F373 HydrophobicContact CB-CE2 4.24Å; L369-F373 HydrophobicContact CD1-CE2 4.24Å; L369-F373 HydrophobicContact CD1-CZ 3.81Å; L369-F373 HydrophobicContact CD2-CD2 4.07Å; L369-F373 HydrophobicContact CD2-CE1 4.44Å; L369-F373 HydrophobicContact CD2-CE2 3.15Å; L369-F373 HydrophobicContact CD2-CZ 3.39Å; L369-F373 HydrophobicContact CG-CD2 4.49Å; L369-F373 HydrophobicContact CG-CE2 3.26Å; L369-F373 HydrophobicContact CG-CZ 3.34Å; R370-F373 VanDerWaalsContact O-CE2 3.24Å; R370-F373 WeakPolarHBondContact O-CE2 3.43Å; F373-L375 PolarHBondContact O-N 3.2Å; F373-L375 VanDerWaalsContact O-N 3.15Å; F373-E483 WeakPolarHBondContact CD1-O 3.42Å; F373-Y484 VanDerWaalsContact CE1-CB 3.49Å; F373-Y484 HydrophobicContact CE1-CG 4.46Å; F373-Y489 HydrophobicContact CE1-CD2 4.09Å; F373-Y489 HydrophobicContact CE1-CG 4.48Å; F373-Y489 HydrophobicContact CZ-CD2 4.38Å; F373-Y489 HydrophobicContact CZ-CG 4.42Å
374	R	36.9	Very low	31.2	Very low	238 Å²	238	120 Å²	120	90%	0.898	59%	0.591	S	S	*	*			trans	-72.7	93.6	150.5	-76.5	-175.9	176.8	169	-1.7	105.2	S372 S376	S372-R374 VanDerWaalsContact C-N 3.26Å; S372-R374 PolarHBondContact O-N 2.82Å; R374-S376 VanDerWaalsContact C-N 3.34Å; R374-S376 PolarHBondContact O-N 3.13Å
375	L	33.8	Very low	31.2	Very low	106 Å²	106	115.9 Å²	115.9	56%	0.555	59%	0.594	S	S	*	*			trans	-57.9	104.3	166.4	-71.2	169.2	0	0	0	106.4	F373 R377	F373-L375 PolarHBondContact O-N 3.2Å; F373-L375 VanDerWaalsContact O-N 3.15Å; L375-R377 PolarHBondContact O-N 2.82Å; L375-R377 VanDerWaalsContact O-N 3.12Å
376	S	25.8	Very low	31.3	Very low	108 Å²	108	117.9 Å²	117.9	76%	0.755	61%	0.609	S	S	*	*			trans	-61.2	114.6	169.8	-174.9	0	0	0	0	106.9	R374 K378	R374-S376 VanDerWaalsContact C-N 3.34Å; R374-S376 PolarHBondContact O-N 3.13Å; S376-K378 VanDerWaalsContact C-N 3.35Å; S376-K378 PolarHBondContact O-N 2.76Å
377	R	31.5	Very low	31.3	Very low	203 Å²	203	123.5 Å²	123.5	77%	0.766	64%	0.636	S	S	*	*			trans	-60.6	99.2	167.4	-94.8	-179	170.1	159.7	-3.1	107.6	L375	L375-R377 PolarHBondContact O-N 2.82Å; L375-R377 VanDerWaalsContact O-N 3.12Å
378	K	27.3	Very low	31.1	Very low	183 Å²	183	127.9 Å²	127.9	80%	0.796	67%	0.665	S	S	*	*			trans	-120.5	91.1	162	-163.9	167	-174.6	171.8	0	106.8	S376 R380	S376-K378 VanDerWaalsContact C-N 3.35Å; S376-K378 PolarHBondContact O-N 2.76Å; K378-R380 PolarHBondContact O-N 2.63Å
379	D	27.7	Very low	30.9	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	70%	0.698	S	S	*	*			trans	-57.4	127.3	174.1	-70.4	-42.6	0	0	0	109
380	R	29.5	Very low	30.8	Very low	238 Å²	238	142.6 Å²	142.6	90%	0.898	73%	0.732	S	S	*	*			trans	-112.5	113.8	161.9	-90.9	-173.6	168.8	-179.5	-3	107.8	K378 G382	K378-R380 PolarHBondContact O-N 2.63Å; R380-G382 PolarHBondContact O-N 2.96Å
381	Q	30.1	Very low	30.5	Very low	199 Å²	199	136.1 Å²	136.1	93%	0.93	73%	0.726	S	S	*	*			trans	-48.3	119.8	166.1	-133.9	92.7	19.1	0	0	109.4
382	G	25.5	Very low	30.6	Very low	71 Å²	71	140 Å²	140	73%	0.732	75%	0.748	S	S	*	*			trans	-129.8	124.3	172.4	0	0	0	0	0	108.7	R380	R380-G382 PolarHBondContact O-N 2.96Å
383	S	24.8	Very low	31.3	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	75%	0.754	S	S	*	*			trans	-45.2	141.3	-169	-169.1	0	0	0	0	116.2	G385	S383-G385 PolarHBondContact O-N 2.98Å
384	S	31	Very low	32.8	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	78%	0.782	S	S	*	*			trans	-57.5	122.6	166	46.6	0	0	0	0	111.5
385	G	25.4	Very low	35	Very low	75 Å²	75	136.4 Å²	136.4	77%	0.773	75%	0.746	S	S	*	*			trans	-124.4	111.4	157.8	0	0	0	0	0	106.9	S383	S383-G385 PolarHBondContact O-N 2.98Å
386	E	29.6	Very low	37.5	Very low	190 Å²	190	134.9 Å²	134.9	89%	0.888	74%	0.738	S	S	*	*			trans	-71.8	152.7	173.9	-71	179.1	139.4	0	0	110.8
387	D	30.8	Very low	40.6	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	70%	0.703	S	S	*	*			trans	78.3	96.9	159.4	-136.2	19.1	0	0	0	118.8
388	S	27.2	Very low	43.6	Very low	118 Å²	118	120.6 Å²	120.6	83%	0.825	67%	0.668	S	S	*	*			trans	-158.6	99.2	153.2	-57.8	0	0	0	0	108.1
389	E	28.2	Very low	46.8	Very low	184 Å²	184	113.7 Å²	113.7	86%	0.86	64%	0.639	S	S	*	*			trans	50.4	131.8	152.5	-60.8	-178.5	166.9	0	0	118.8	G391	E389-G391 PolarHBondContact O-N 2.98Å
390	I	34.6	Very low	49.9	Very low	168 Å²	168	110.4 Å²	110.4	86%	0.862	62%	0.619	S	S	*	*			trans	-59.8	87.7	168.6	-62.3	166.2	0	0	0	107.8	E392	I390-E392 PolarHBondContact O-N 2.75Å
391	G	31.4	Very low	53	Low	58 Å²	58	99.3 Å²	99.3	60%	0.598	58%	0.577	S	S	*	*			trans	-57.2	128.9	172.8	0	0	0	0	0	108.3	E389 T393	E389-G391 PolarHBondContact O-N 2.98Å; G391-T393 PolarHBondContact O-N 3.41Å
392	E	42.1	Very low	56	Low	181 Å²	181	91.9 Å²	91.9	85%	0.846	55%	0.546	S	S	*	.			trans	-33.7	115.2	175.6	-70.3	-180	142.7	0	0	109.8	I390 D394	I390-E392 PolarHBondContact O-N 2.75Å; E392-D394 PolarHBondContact O-N 3.25Å
393	T	47	Very low	59.2	Low	75 Å²	75	95.9 Å²	95.9	46%	0.46	54%	0.539	S	S	.	.			trans	-70.6	95.6	171.6	-50.4	0	0	0	0	105.3	M304 G391 F395	M304-T393 HydrophobicContact CE-CG2 4.23Å; M304-T393 HydrophobicContact SD-CG2 4.25Å; G391-T393 PolarHBondContact O-N 3.41Å; T393-F395 HydrophobicContact CG2-CD1 4.17Å; T393-F395 HydrophobicContact CG2-CE1 3.75Å; T393-F395 HydrophobicContact CG2-CE2 4.19Å; T393-F395 HydrophobicContact CG2-CZ 3.76Å; T393-F395 VanDerWaalsContact O-CD2 3.24Å; T393-F395 WeakPolarHBondContact O-CD2 3.4Å; T393-F395 PolarHBondContact O-N 3.44Å
394	D	68.1	Low	62.4	Low	145 Å²	145	90.8 Å²	90.8	78%	0.775	50%	0.501	S	S	*	.			trans	-70.8	82.2	-173.9	-151.9	11.7	0	0	0	108.7	E392 L396	E392-D394 PolarHBondContact O-N 3.25Å; D394-L396 PolarHBondContact O-N 2.85Å
395	F	82.7	Confident	65.2	Low	35 Å²	35	90.9 Å²	90.9	15%	0.154	49%	0.49	C	S	.	.			trans	-67.9	130.4	-177.5	-72.8	-63.6	0	0	0	109.5	E297 L300 A301 M304 T393 T397	E297-F395 HydrophobicContact CB-CD2 4.09Å; E297-F395 HydrophobicContact CG-CB 4.2Å; E297-F395 HydrophobicContact CG-CD2 3.98Å; E297-F395 HydrophobicContact CG-CG 4.47Å; L300-F395 HydrophobicContact CB-CD1 3.51Å; L300-F395 HydrophobicContact CB-CE1 3.59Å; L300-F395 HydrophobicContact CB-CG 4.15Å; L300-F395 HydrophobicContact CB-CZ 4.29Å; L300-F395 HydrophobicContact CD1-CB 3.78Å; L300-F395 HydrophobicContact CD1-CD1 3.84Å; L300-F395 HydrophobicContact CD1-CG 4.02Å; L300-F395 HydrophobicContact CG-CD1 4.23Å; A301-F395 HydrophobicContact CB-CE2 4.31Å; A301-F395 HydrophobicContact CB-CZ 3.94Å; M304-F395 HydrophobicContact CE-CD1 4.36Å; M304-F395 HydrophobicContact CE-CE1 3.74Å; M304-F395 HydrophobicContact SD-CE1 3.66Å; M304-F395 HydrophobicContact SD-CZ 4.14Å; T393-F395 HydrophobicContact CG2-CD1 4.17Å; T393-F395 HydrophobicContact CG2-CE1 3.75Å; T393-F395 HydrophobicContact CG2-CE2 4.19Å; T393-F395 HydrophobicContact CG2-CZ 3.76Å; T393-F395 VanDerWaalsContact O-CD2 3.24Å; T393-F395 WeakPolarHBondContact O-CD2 3.4Å; T393-F395 PolarHBondContact O-N 3.44Å; F395-T397 VanDerWaalsContact C-N 3.28Å; F395-T397 HydrophobicContact CB-CG2 4Å; F395-T397 PolarHBondContact O-N 2.9Å; F395-T397 PolarHBondContact O-OG1 2.78Å
396	L	86.9	Confident	68	Low	73 Å²	73	89.7 Å²	89.7	38%	0.382	46%	0.464	S	S	.	.	S	Bend	trans	-67	85.8	174.2	-60.4	-178.9	0	0	0	110.5	L238 F239 D394 H576	L238-L396 HydrophobicContact CB-CB 4.04Å; L238-L396 HydrophobicContact CD1-CD2 4.33Å; F239-L396 WeakPolarHBondContact CD1-O 3.21Å; D394-L396 PolarHBondContact O-N 2.85Å; L396-H576 HydrophobicContact CD2-CB 4.5Å; L396-H576 VanDerWaalsContact CD2-CD2 3.49Å; L396-H576 WeakPolarHBondContact CD2-CD2 3.29Å
397	T	91.8	Very high	70.6	Confident	2 Å²	2	88.9 Å²	88.9	1%	0.012	45%	0.453	C	S	.	.	S	Bend	trans	-114.7	-90.1	-179.9	57.1	0	0	0	0	110.6	L238 F239 Q296 E297 L300 F395	L238-T397 PolarHBondContact N-O 3.41Å; F239-T397 WeakPolarHBondContact CD1-O 3.39Å; F239-T397 VanDerWaalsContact CE1-O 3.31Å; F239-T397 WeakPolarHBondContact CE1-O 3.27Å; Q296-T397 HydrophobicContact CB-CG2 4.01Å; Q296-T397 HydrophobicContact CG-CG2 3.62Å; E297-T397 HydrophobicContact CG-CG2 3.88Å; L300-T397 HydrophobicContact CD1-CG2 3.96Å; F395-T397 VanDerWaalsContact C-N 3.28Å; F395-T397 HydrophobicContact CB-CG2 4Å; F395-T397 PolarHBondContact O-N 2.9Å; F395-T397 PolarHBondContact O-OG1 2.78Å
398	Y	93.9	Very high	72.7	Confident	10 Å²	10	87.9 Å²	87.9	4%	0.039	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.1	-179.1	-57.2	-75.5	0	0	0	110.3	M235 R236 F239 F258 L264 W275 I290 P291 K293	M235-Y398 HydrophobicContact CB-CD1 4.47Å; R236-Y398 WeakPolarHBondContact O-CA 3.4Å; F239-Y398 HydrophobicContact CE1-CD1 4.36Å; F239-Y398 AromaticContact CE1-CE1 3.86Å; F239-Y398 HydrophobicContact CE1-CE1 3.86Å; F239-Y398 HydrophobicContact CE1-CE2 4.09Å; F239-Y398 AromaticContact CE1-CZ 3.74Å; F239-Y398 HydrophobicContact CZ-CE1 4.24Å; F239-Y398 HydrophobicContact CZ-CE2 4.34Å; F239-Y398 AromaticContact CZ-CZ 3.82Å; F258-Y398 HydrophobicContact CE1-CE1 4.47Å; F258-Y398 HydrophobicContact CE2-CE1 4.28Å; F258-Y398 AromaticContact CZ-CE1 3.8Å; F258-Y398 HydrophobicContact CZ-CE1 3.8Å; F258-Y398 WeakPolarHBondContact CZ-OH 3.3Å; L264-Y398 HydrophobicContact CD1-CE1 3.95Å; W275-Y398 HydrophobicContact CZ3-CD2 4.38Å; I290-Y398 HydrophobicContact CD1-CE1 4.43Å; P291-Y398 WeakPolarHBondContact O-CE2 3.45Å; P291-Y398 PolarHBondContact O-OH 2.94Å; K293-Y398 HydrophobicContact CB-CD2 4.15Å
399	E	93.6	Very high	75.1	Confident	38 Å²	38	86.1 Å²	86.1	18%	0.178	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.1	173	-174.2	-176.2	-140.2	0	0	109.5	M235 R236 L238 V401 R519 P609	M235-E399 CarbonylContact C-O 3.6Å; M235-E399 WeakPolarHBondContact CA-O 3.17Å; R236-E399 IonicContact CZ-OE2 3.72Å; R236-E399 PolarHBondContact N-O 3.25Å; R236-E399 IonicContact NE-OE2 3.41Å; R236-E399 PolarHBondContact NE-OE2 3.41Å; R236-E399 IonicContact NH2-OE1 3.52Å; R236-E399 IonicContact NH2-OE2 2.59Å; R236-E399 PolarHBondContact NH2-OE2 2.84Å; R236-E399 PolarHBondContact O-N 3.47Å; L238-E399 HydrophobicContact CD1-CB 4.25Å; L238-E399 HydrophobicContact CD2-CB 4.32Å; L238-E399 HydrophobicContact CG-CB 4.41Å; E399-V401 PolarHBondContact O-N 2.94Å; E399-R519 IonicContact OE1-CZ 3.81Å; E399-R519 IonicContact OE1-NE 2.62Å; E399-R519 IonicContact OE1-NH2 3.11Å; E399-R519 PolarHBondContact OE1-NH2 3.22Å; E399-R519 IonicContact OE2-NH2 3.48Å; E399-R519 PolarHBondContact OE2-NH2 2.83Å; E399-P609 HydrophobicContact CG-CB 4.43Å; E399-P609 VanDerWaalsContact OE1-CG 3.27Å; E399-P609 WeakPolarHBondContact OE1-CG 3.41Å
400	E	94	Very high	77.8	Confident	72 Å²	72	80.3 Å²	80.3	34%	0.336	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.3	177.5	-165.4	177.9	-178.6	0	0	110.2	V233 M235 P609 L610 R614	V233-E400 HydrophobicContact CG1-CG 3.86Å; M235-E400 HydrophobicContact CE-CG 4.48Å; M235-E400 HydrophobicContact SD-CB 3.87Å; M235-E400 HydrophobicContact SD-CG 4.15Å; E400-P609 CarbonylContact O-C 3.58Å; E400-P609 WeakPolarHBondContact O-CA 3.48Å; E400-L610 HydrophobicContact CB-CB 4.31Å; E400-L610 HydrophobicContact CG-CB 4.06Å; E400-L610 HydrophobicContact CG-CD2 3.77Å; E400-L610 PolarHBondContact O-N 3.46Å; E400-L610 WeakPolarHBondContact OE1-CD2 3.46Å; E400-R614 IonicContact OE2-NH2 2.68Å
401	V	94.6	Very high	80.3	Confident	5 Å²	5	79.1 Å²	79.1	3%	0.03	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.5	-173.9	-67	0	0	0	0	112.3	Y234 R236 I263 E399 W607 V608	Y234-V401 PolarHBondContact O-N 2.81Å; R236-V401 HydrophobicContact CB-CG1 3.73Å; R236-V401 HydrophobicContact CB-CG2 4.42Å; I263-V401 HydrophobicContact CD1-CG2 4.33Å; I263-V401 HydrophobicContact CG2-CG2 4.15Å; E399-V401 PolarHBondContact O-N 2.94Å; V401-W607 HydrophobicContact CB-CB 4.47Å; V401-W607 HydrophobicContact CB-CE3 4.2Å; V401-W607 HydrophobicContact CG2-CD2 4.41Å; V401-W607 HydrophobicContact CG2-CE3 3.72Å; V401-W607 HydrophobicContact CG2-CZ3 4.31Å; V401-V608 CarbonylContact C-O 3.51Å; V401-V608 WeakPolarHBondContact CA-O 3.18Å; V401-V608 WeakPolarHBondContact CB-O 3.24Å
402	T	93.5	Very high	83.1	Confident	44 Å²	44	77 Å²	77	27%	0.27	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.6	172.3	-171.1	0	0	0	0	111	Y404 W607 V608 L610 M613	T402-Y404 PolarHBondContact O-N 3.35Å; T402-W607 WeakPolarHBondContact O-CA 3.31Å; T402-V608 HydrophobicContact CG2-CG2 4.17Å; T402-V608 PolarHBondContact N-O 3.22Å; T402-V608 PolarHBondContact O-N 3.36Å; T402-L610 HydrophobicContact CG2-CD1 3.85Å; T402-M613 HydrophobicContact CG2-CB 4.45Å; T402-M613 HydrophobicContact CG2-CG 3.65Å
403	R	92.1	Very high	85.6	Confident	155 Å²	155	68.7 Å²	68.7	59%	0.585	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.4	174	-72.9	-171.6	172.8	-179.2	-3.1	109.4	F606 W607	R403-F606 WeakPolarHBondContact CA-O 3.38Å; R403-W607 HydrophobicContact CG-CD2 4.12Å; R403-W607 HydrophobicContact CG-CE3 3.96Å; R403-W607 HydrophobicContact CG-CH2 3.6Å; R403-W607 HydrophobicContact CG-CZ2 3.74Å; R403-W607 HydrophobicContact CG-CZ3 3.71Å; R403-W607 VanDerWaalsContact NE-CZ2 3.35Å
404	Y	91.1	Very high	87.9	Confident	10 Å²	10	65.1 Å²	65.1	4%	0.039	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	172.2	171.7	-94.1	0	0	0	109.4	T402 H406 E410 R413 K524 S605 F606 V608 M613	T402-Y404 PolarHBondContact O-N 3.35Å; Y404-H406 HydrophobicContact CE1-CB 4.42Å; Y404-H406 PolarHBondContact OH-ND1 3.07Å; Y404-E410 WeakPolarHBondContact CE2-OE2 3.4Å; Y404-E410 PolarHBondContact OH-OE2 3.22Å; Y404-R413 HydrophobicContact CE1-CG 4.1Å; Y404-K524 HydrophobicContact CD2-CD 4.34Å; Y404-K524 HydrophobicContact CE1-CD 4.44Å; Y404-K524 HydrophobicContact CE2-CD 3.99Å; Y404-S605 CarbonylContact O-C 3.55Å; Y404-S605 WeakPolarHBondContact O-CA 3.41Å; Y404-F606 PolarHBondContact N-O 3.12Å; Y404-F606 PolarHBondContact O-N 3.48Å; Y404-V608 VanDerWaalsContact CB-CG2 3.41Å; Y404-V608 HydrophobicContact CD1-CG1 4.3Å; Y404-V608 HydrophobicContact CG-CG1 4.26Å; Y404-V608 HydrophobicContact CG-CG2 4.23Å; Y404-M613 HydrophobicContact CD2-CE 4.27Å; Y404-M613 HydrophobicContact CD2-SD 3.87Å
405	Q	89.7	Confident	89.2	Confident	114 Å²	114	58.2 Å²	58.2	53%	0.533	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.5	168.7	-172.2	176.1	19.3	0	0	107.5	R407 R603	Q405-R407 PolarHBondContact O-N 3.3Å; Q405-R603 PolarHBondContact NE2-O 2.93Å
406	H	85.1	Confident	89.9	Confident	49 Å²	49	56.6 Å²	56.6	23%	0.227	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-60.6	126.3	178.9	-175.1	61.1	0	0	0	110.2	Y404 E410	Y404-H406 HydrophobicContact CE1-CB 4.42Å; Y404-H406 PolarHBondContact OH-ND1 3.07Å; H406-E410 PolarHBondContact CE1-O 3.43Å; H406-E410 VanDerWaalsContact CE1-O 3.28Å
407	R	83.4	Confident	90.3	Very high	174 Å²	174	53.1 Å²	53.1	66%	0.657	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-96.6	146.5	179.1	-60.7	-174.9	178.1	-158.3	0.1	110.6	Q405 G409 E410	Q405-R407 PolarHBondContact O-N 3.3Å; R407-G409 PolarHBondContact O-N 2.95Å; R407-E410 HydrophobicContact CB-CG 4.09Å; R407-E410 WeakPolarHBondContact CD-OE1 3.48Å; R407-E410 PolarHBondContact O-N 3.17Å; R407-E410 VanDerWaalsContact O-N 3.11Å
408	S	75.5	Confident	90.5	Very high	135 Å²	135	53 Å²	53	94%	0.944	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	120.4	173	-167.4	0	0	0	0	109.7
409	G	77.7	Confident	90.4	Very high	81 Å²	81	52.8 Å²	52.8	84%	0.835	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	-8.1	-177.8	0	0	0	0	0	115.6	R407	R407-G409 PolarHBondContact O-N 2.95Å
410	E	84.9	Confident	90.4	Very high	63 Å²	63	51 Å²	51	29%	0.294	26%	0.26	S	S	.	.	S	Bend	trans	-79.5	155.5	169.6	-73.4	-178.3	-169.4	0	0	111.4	Y404 H406 R407	Y404-E410 WeakPolarHBondContact CE2-OE2 3.4Å; Y404-E410 PolarHBondContact OH-OE2 3.22Å; H406-E410 PolarHBondContact CE1-O 3.43Å; H406-E410 VanDerWaalsContact CE1-O 3.28Å; R407-E410 HydrophobicContact CB-CG 4.09Å; R407-E410 WeakPolarHBondContact CD-OE1 3.48Å; R407-E410 PolarHBondContact O-N 3.17Å; R407-E410 VanDerWaalsContact O-N 3.11Å
411	R	87.7	Confident	90.1	Very high	143 Å²	143	51.5 Å²	51.5	54%	0.54	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-65.5	139.8	173	-67.5	-177.9	-177.2	-178.2	0.7	110.1
412	P	90.5	Very high	89.5	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.078	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-59	142.4	175.2	-25.4	35.5	0	0	0	111.6	Q500 N503 M505	P412-Q500 PolarHBondContact O-NE2 3.46Å; P412-N503 WeakPolarHBondContact CD-OD1 3.42Å; P412-M505 HydrophobicContact CB-CB 4.16Å
413	R	93.3	Very high	89.2	Confident	8 Å²	8	51 Å²	51	3%	0.03	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-60.9	149	175.6	-64.5	-178.7	67.4	-175.9	-0.4	111.1	Y404 K524 P525	Y404-R413 HydrophobicContact CE1-CG 4.1Å; R413-K524 HydrophobicContact CG-CB 4.35Å; R413-K524 PolarHBondContact NE-O 3.13Å; R413-K524 PolarHBondContact NH2-O 2.97Å; R413-K524 VanDerWaalsContact NH2-O 3.15Å; R413-P525 PolarHBondContact NH2-O 2.79Å; R413-P525 VanDerWaalsContact NH2-O 3.17Å
414	L	95.2	Very high	89	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-74.8	133.6	170.9	178.4	63	0	0	0	110.3	V416 I496 C506 V508 L518 F523 P525 Y526	L414-V416 HydrophobicContact CD2-CG2 3.78Å; L414-V416 HydrophobicContact CG-CG2 3.77Å; L414-I496 HydrophobicContact CD1-CD1 4.41Å; L414-I496 HydrophobicContact CD1-CG2 3.78Å; L414-I496 HydrophobicContact CD2-CD1 4.23Å; L414-I496 HydrophobicContact CD2-CG2 4.31Å; L414-C506 HydrophobicContact CD1-CB 3.79Å; L414-V508 HydrophobicContact CD1-CG1 3.88Å; L414-V508 HydrophobicContact CD2-CG1 4.5Å; L414-V508 HydrophobicContact CG-CG1 4.39Å; L414-L518 HydrophobicContact CD2-CB 4.3Å; L414-L518 HydrophobicContact CD2-CD1 4.18Å; L414-L518 HydrophobicContact CD2-CD2 3.8Å; L414-L518 HydrophobicContact CD2-CG 4.31Å; L414-F523 HydrophobicContact CB-CB 3.98Å; L414-F523 HydrophobicContact CD2-CB 3.95Å; L414-F523 HydrophobicContact CD2-CD1 4.47Å; L414-F523 HydrophobicContact CD2-CG 4.21Å; L414-F523 PolarHBondContact N-O 3.11Å; L414-P525 HydrophobicContact CB-CB 4.44Å; L414-P525 HydrophobicContact CD2-CB 4.41Å; L414-P525 CarbonylContact O-C 3.53Å; L414-P525 VanDerWaalsContact O-CA 3.25Å; L414-P525 WeakPolarHBondContact O-CA 3.2Å; L414-Y526 PolarHBondContact O-N 3.43Å
415	V	96.8	Very high	88.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.3	170.1	178.4	0	0	0	0	109	L417 M505 C506 I507 V508 I528 L598 L601	V415-L417 HydrophobicContact CG1-CD2 4.12Å; V415-M505 HydrophobicContact CG2-CG 3.9Å; V415-M505 HydrophobicContact CG2-SD 3.64Å; V415-C506 PolarHBondContact N-O 3.13Å; V415-I507 HydrophobicContact CB-CG1 4.37Å; V415-I507 HydrophobicContact CG1-CG2 4.43Å; V415-I507 WeakPolarHBondContact O-CA 3.47Å; V415-V508 PolarHBondContact O-N 3.26Å; V415-I528 HydrophobicContact CG1-CD1 3.94Å; V415-L598 HydrophobicContact CB-CD2 4.25Å; V415-L598 HydrophobicContact CG1-CD2 3.95Å; V415-L598 HydrophobicContact CG2-CD2 3.7Å; V415-L601 HydrophobicContact CG2-CD1 3.72Å
416	V	96.4	Very high	88.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.4	-176.6	-172.5	0	0	0	0	109.3	L414 I418 V508 V510 L515 L518 P525 Y526 V527 I528	L414-V416 HydrophobicContact CD2-CG2 3.78Å; L414-V416 HydrophobicContact CG-CG2 3.77Å; V416-I418 HydrophobicContact CG1-CG2 4.37Å; V416-V508 WeakPolarHBondContact CA-O 3.35Å; V416-V508 HydrophobicContact CB-CG1 4.4Å; V416-V508 HydrophobicContact CG1-CG1 4.28Å; V416-V508 HydrophobicContact CG2-CG1 4.04Å; V416-V510 HydrophobicContact CG1-CG2 3.48Å; V416-V510 VanDerWaalsContact CG1-CG2 3.48Å; V416-L515 HydrophobicContact CB-CD2 4.34Å; V416-L515 HydrophobicContact CG1-CD2 3.78Å; V416-L518 HydrophobicContact CG1-CD1 4.27Å; V416-L518 HydrophobicContact CG2-CD1 3.99Å; V416-P525 HydrophobicContact CG2-CB 3.77Å; V416-Y526 PolarHBondContact N-O 2.97Å; V416-V527 HydrophobicContact CB-CG2 4.4Å; V416-V527 WeakPolarHBondContact O-CA 3.46Å; V416-I528 PolarHBondContact O-N 2.96Å
417	L	96.3	Very high	89	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.4	176.2	-54.5	-176.5	0	0	0	109.3	V415 I425 K429 I507 V508 D509 V510 I528 L594	V415-L417 HydrophobicContact CG1-CD2 4.12Å; L417-I425 HydrophobicContact CB-CD1 4.35Å; L417-I425 HydrophobicContact CB-CG2 3.53Å; L417-I425 HydrophobicContact CD1-CG2 3.52Å; L417-I425 HydrophobicContact CG-CG2 4.17Å; L417-K429 HydrophobicContact CD1-CB 4.24Å; L417-I507 HydrophobicContact CD1-CG2 3.73Å; L417-I507 HydrophobicContact CG-CG2 4.02Å; L417-V508 PolarHBondContact N-O 2.81Å; L417-D509 HydrophobicContact CB-CB 4.41Å; L417-D509 WeakPolarHBondContact O-CA 3.36Å; L417-V510 PolarHBondContact O-N 3.21Å; L417-I528 HydrophobicContact CD2-CB 3.77Å; L417-I528 HydrophobicContact CD2-CD1 3.93Å; L417-I528 HydrophobicContact CD2-CG1 4.25Å; L417-I528 HydrophobicContact CD2-CG2 4.36Å; L417-L594 HydrophobicContact CD1-CD2 4.38Å; L417-L594 HydrophobicContact CD2-CD1 4.22Å
418	I	94.9	Very high	89.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	161.5	166.4	65.2	169.5	0	0	0	108.5	V416 I425 P512 L515 V527 I528 F529 V530 I570 V578	V416-I418 HydrophobicContact CG1-CG2 4.37Å; I418-I425 VanDerWaalsContact C-CD1 3.44Å; I418-I425 WeakPolarHBondContact O-CD1 3.3Å; I418-P512 HydrophobicContact CB-CG 4.43Å; I418-P512 HydrophobicContact CG2-CG 4.45Å; I418-L515 HydrophobicContact CD1-CD1 4.4Å; I418-L515 HydrophobicContact CG2-CD1 4.36Å; I418-V527 HydrophobicContact CD1-CG1 4.14Å; I418-V527 HydrophobicContact CG1-CG1 4.2Å; I418-I528 PolarHBondContact N-O 3.05Å; I418-F529 HydrophobicContact CD1-CB 4.21Å; I418-F529 HydrophobicContact CD1-CD2 4.26Å; I418-F529 HydrophobicContact CD1-CG 4.49Å; I418-F529 HydrophobicContact CG1-CB 3.98Å; I418-F529 HydrophobicContact CG1-CD2 3.98Å; I418-F529 HydrophobicContact CG1-CG 4.39Å; I418-F529 WeakPolarHBondContact O-CA 3.28Å; I418-V530 PolarHBondContact O-N 3.46Å; I418-I570 HydrophobicContact CD1-CG2 4.11Å; I418-V578 HydrophobicContact CD1-CG2 3.77Å
419	G	92.7	Very high	90	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	162.8	177.4	0	0	0	0	0	114.5	R371 V530 I570	R371-G419 VanDerWaalsContact CZ-O 3.24Å; R371-G419 PolarHBondContact NH1-O 2.94Å; R371-G419 PolarHBondContact NH2-O 3.32Å; G419-V530 CarbonylContact C-O 3.57Å; G419-V530 WeakPolarHBondContact CA-O 3.45Å; G419-I570 WeakPolarHBondContact O-CD1 3.25Å
420	S	92.1	Very high	90.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.			trans	-81.3	172.8	-179.1	66.3	0	0	0	0	112.3	R371 G422 A423 V530 P532	R371-S420 PolarHBondContact NH1-O 3.49Å; S420-G422 PolarHBondContact O-N 2.83Å; S420-A423 VanDerWaalsContact O-CB 3.24Å; S420-A423 WeakPolarHBondContact O-CB 3.39Å; S420-A423 PolarHBondContact O-N 2.9Å; S420-V530 PolarHBondContact N-O 2.79Å; S420-P532 WeakPolarHBondContact OG-CD 3.37Å
421	L	87.9	Confident	90.9	Very high	83 Å²	83	34.3 Å²	34.3	44%	0.435	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	139.4	168.7	-68	168.7	0	0	0	110.4	A423 P532 M563 S566	L421-A423 VanDerWaalsContact C-N 3.3Å; L421-A423 PolarHBondContact O-N 2.9Å; L421-P532 WeakPolarHBondContact O-CG 3.47Å; L421-M563 HydrophobicContact CB-CG 4.09Å; L421-S566 PolarHBondContact N-OG 2.93Å; L421-S566 VanDerWaalsContact N-OG 3.12Å
422	G	83.4	Confident	91.1	Very high	39 Å²	39	27.5 Å²	27.5	40%	0.402	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-2.8	-178.6	0	0	0	0	0	116.9	S420 R424	S420-G422 PolarHBondContact O-N 2.83Å; G422-R424 VanDerWaalsContact C-N 3.28Å; G422-R424 PolarHBondContact O-N 3.31Å
423	A	86.3	Confident	91.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.			trans	-65.7	-25.2	179.3	0	0	0	0	0	114.6	S420 L421 I425 V530 K584	S420-A423 VanDerWaalsContact O-CB 3.24Å; S420-A423 WeakPolarHBondContact O-CB 3.39Å; S420-A423 PolarHBondContact O-N 2.9Å; L421-A423 VanDerWaalsContact C-N 3.3Å; L421-A423 PolarHBondContact O-N 2.9Å; A423-I425 VanDerWaalsContact C-N 3.33Å; A423-I425 HydrophobicContact CB-CG1 4.06Å; A423-I425 PolarHBondContact O-N 3.35Å; A423-V530 HydrophobicContact CB-CB 4.34Å; A423-V530 HydrophobicContact CB-CG1 4.03Å; A423-V530 WeakPolarHBondContact CB-O 3.49Å; A423-K584 VanDerWaalsContact O-CD 3.23Å; A423-K584 WeakPolarHBondContact O-CD 3.24Å
424	R	87.4	Confident	91.1	Very high	148 Å²	148	31 Å²	31	56%	0.558	16%	0.161	S	C	*	.			trans	48.8	47.3	-179.6	-58.2	-173.6	-177.8	-160.6	3.8	114.1	G422 N426 E427	G422-R424 VanDerWaalsContact C-N 3.28Å; G422-R424 PolarHBondContact O-N 3.31Å; R424-N426 PolarHBondContact O-N 3.29Å; R424-N426 VanDerWaalsContact O-N 3.15Å; R424-E427 HydrophobicContact CB-CG 4.46Å; R424-E427 WeakPolarHBondContact CD-OE1 3.17Å; R424-E427 WeakPolarHBondContact CD-OE2 3.46Å; R424-E427 IonicContact NH1-OE1 3.45Å; R424-E427 PolarHBondContact NH1-OE1 2.92Å; R424-E427 IonicContact NH1-OE2 3.89Å; R424-E427 PolarHBondContact O-N 2.73Å; R424-E427 VanDerWaalsContact O-N 3.12Å
425	I	90	Very high	90.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-53.6	-37.6	-176.1	-57.1	-176.2	0	0	0	112.9	R371 L417 I418 A423 E427 L428 K429 D509 V530	R371-I425 VanDerWaalsContact CZ-CD1 3.44Å; L417-I425 HydrophobicContact CB-CD1 4.35Å; L417-I425 HydrophobicContact CB-CG2 3.53Å; L417-I425 HydrophobicContact CD1-CG2 3.52Å; L417-I425 HydrophobicContact CG-CG2 4.17Å; I418-I425 VanDerWaalsContact C-CD1 3.44Å; I418-I425 WeakPolarHBondContact O-CD1 3.3Å; A423-I425 VanDerWaalsContact C-N 3.33Å; A423-I425 HydrophobicContact CB-CG1 4.06Å; A423-I425 PolarHBondContact O-N 3.35Å; I425-E427 VanDerWaalsContact C-N 3.34Å; I425-E427 PolarHBondContact O-N 3.37Å; I425-L428 WeakPolarHBondContact O-CB 3.31Å; I425-L428 PolarHBondContact O-N 3.33Å; I425-K429 VanDerWaalsContact O-CB 3.3Å; I425-K429 WeakPolarHBondContact O-CB 3.31Å; I425-K429 PolarHBondContact O-N 3.2Å; I425-D509 HydrophobicContact CG2-CB 3.84Å; I425-V530 HydrophobicContact CD1-CB 4.33Å; I425-V530 HydrophobicContact CD1-CG2 4.5Å; I425-V530 HydrophobicContact CG1-CB 4.15Å; I425-V530 HydrophobicContact CG1-CG2 4.41Å
426	N	87.9	Confident	90.5	Very high	27 Å²	27	36.8 Å²	36.8	14%	0.144	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-41	-179.8	-79.6	-38.6	0	0	0	113.3	G368 L369 R424 L428 K429 Q430 D509	G368-N426 WeakPolarHBondContact CA-OD1 3.23Å; L369-N426 PolarHBondContact O-ND2 2.82Å; R424-N426 PolarHBondContact O-N 3.29Å; R424-N426 VanDerWaalsContact O-N 3.15Å; N426-L428 VanDerWaalsContact C-N 3.34Å; N426-K429 PolarHBondContact O-N 3.24Å; N426-K429 PolarHBondContact OD1-NZ 3.09Å; N426-Q430 WeakPolarHBondContact O-CB 3.44Å; N426-Q430 VanDerWaalsContact O-CG 3.24Å; N426-Q430 WeakPolarHBondContact O-CG 3.33Å; N426-Q430 PolarHBondContact O-N 3.19Å; N426-D509 PolarHBondContact OD1-OD1 3.06Å; N426-D509 PolarHBondContact OD1-OD2 3.27Å; N426-D509 VanDerWaalsContact OD1-OD2 3.05Å
427	E	88.2	Confident	90.3	Very high	91 Å²	91	40.4 Å²	40.4	43%	0.425	21%	0.213	S	C	.	.	H	α-helix	trans	-64.5	-42.5	178.5	-65.3	172.7	-167.8	0	0	110.8	R424 I425 R431	R424-E427 HydrophobicContact CB-CG 4.46Å; R424-E427 WeakPolarHBondContact CD-OE1 3.17Å; R424-E427 WeakPolarHBondContact CD-OE2 3.46Å; R424-E427 IonicContact NH1-OE1 3.45Å; R424-E427 PolarHBondContact NH1-OE1 2.92Å; R424-E427 IonicContact NH1-OE2 3.89Å; R424-E427 PolarHBondContact O-N 2.73Å; R424-E427 VanDerWaalsContact O-N 3.12Å; I425-E427 VanDerWaalsContact C-N 3.34Å; I425-E427 PolarHBondContact O-N 3.37Å; E427-R431 PolarHBondContact O-N 3.33Å
428	L	90.2	Very high	90	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-49.7	177.1	173.6	59.1	0	0	0	111.5	I425 N426 R431 V432 V530 L582 A590 C591 L594	I425-L428 WeakPolarHBondContact O-CB 3.31Å; I425-L428 PolarHBondContact O-N 3.33Å; N426-L428 VanDerWaalsContact C-N 3.34Å; L428-R431 PolarHBondContact O-N 2.91Å; L428-V432 HydrophobicContact CD1-CG2 4.44Å; L428-V432 PolarHBondContact O-N 2.7Å; L428-V530 HydrophobicContact CD2-CG1 4.31Å; L428-V530 HydrophobicContact CD2-CG2 4.39Å; L428-L582 HydrophobicContact CD2-CD2 4.44Å; L428-A590 HydrophobicContact CD1-CB 4.12Å; L428-C591 HydrophobicContact CD1-CB 4.1Å; L428-C591 WeakPolarHBondContact CD1-SG 3.34Å; L428-L594 HydrophobicContact CD1-CB 4.32Å; L428-L594 HydrophobicContact CD1-CD2 4Å; L428-L594 HydrophobicContact CD2-CD2 4.1Å; L428-L594 HydrophobicContact CG-CD2 3.72Å
429	K	90.6	Very high	89.8	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-50.7	178.6	-178.3	-173.7	72.5	179.5	0	111.5	L417 I425 N426 R431 V432 I433 V442 I507 D509	L417-K429 HydrophobicContact CD1-CB 4.24Å; I425-K429 VanDerWaalsContact O-CB 3.3Å; I425-K429 WeakPolarHBondContact O-CB 3.31Å; I425-K429 PolarHBondContact O-N 3.2Å; N426-K429 PolarHBondContact O-N 3.24Å; N426-K429 PolarHBondContact OD1-NZ 3.09Å; K429-R431 VanDerWaalsContact C-N 3.34Å; K429-R431 PolarHBondContact O-N 3.41Å; K429-V432 PolarHBondContact O-N 2.78Å; K429-I433 HydrophobicContact CG-CD1 3.84Å; K429-I433 VanDerWaalsContact O-CG1 3.26Å; K429-I433 WeakPolarHBondContact O-CG1 3.33Å; K429-I433 PolarHBondContact O-N 3.45Å; K429-I433 VanDerWaalsContact O-N 3.14Å; K429-V442 HydrophobicContact CD-CG1 3.86Å; K429-V442 HydrophobicContact CG-CG1 4.26Å; K429-I507 HydrophobicContact CD-CG2 4.38Å; K429-I507 HydrophobicContact CG-CG2 3.95Å; K429-D509 IonicContact NZ-OD1 3.74Å; K429-D509 PolarHBondContact NZ-OD1 3.24Å
430	Q	89.9	Confident	89.9	Confident	50 Å²	50	49.3 Å²	49.3	23%	0.234	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-39.6	-177.8	-69.3	-60.4	-13.1	0	0	112	S366 N426 I433 A434	S366-Q430 PolarHBondContact O-NE2 3.29Å; N426-Q430 WeakPolarHBondContact O-CB 3.44Å; N426-Q430 VanDerWaalsContact O-CG 3.24Å; N426-Q430 WeakPolarHBondContact O-CG 3.33Å; N426-Q430 PolarHBondContact O-N 3.19Å; Q430-I433 PolarHBondContact O-N 3.08Å; Q430-A434 WeakPolarHBondContact O-CB 3.43Å; Q430-A434 PolarHBondContact O-N 3.31Å
431	R	90.9	Very high	90	Very high	107 Å²	107	50.2 Å²	50.2	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-47.2	178.7	-167.7	174.9	-56.9	173.3	-3.5	112.1	E427 L428 K429 I433 A434 E435 S587 C591	E427-R431 PolarHBondContact O-N 3.33Å; L428-R431 PolarHBondContact O-N 2.91Å; K429-R431 VanDerWaalsContact C-N 3.34Å; K429-R431 PolarHBondContact O-N 3.41Å; R431-I433 VanDerWaalsContact C-N 3.3Å; R431-I433 PolarHBondContact O-N 3.41Å; R431-A434 PolarHBondContact O-N 3.44Å; R431-E435 WeakPolarHBondContact O-CG 3.32Å; R431-E435 PolarHBondContact O-N 3.11Å; R431-E435 VanDerWaalsContact O-N 3.13Å; R431-S587 PolarHBondContact NH1-OG 2.8Å; R431-S587 PolarHBondContact NH2-OG 2.87Å; R431-C591 VanDerWaalsContact CD-SG 3.56Å
432	V	92.6	Very high	90.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-34.3	-179.6	173.4	0	0	0	0	112.2	L428 K429 Y440 C591 L594 L598	L428-V432 HydrophobicContact CD1-CG2 4.44Å; L428-V432 PolarHBondContact O-N 2.7Å; K429-V432 PolarHBondContact O-N 2.78Å; V432-Y440 HydrophobicContact CG1-CD2 4.16Å; V432-Y440 HydrophobicContact CG1-CE2 4.2Å; V432-C591 HydrophobicContact CG2-CB 4.07Å; V432-L594 HydrophobicContact CB-CD2 4.4Å; V432-L594 HydrophobicContact CG2-CB 4.33Å; V432-L594 HydrophobicContact CG2-CD2 3.92Å; V432-L594 HydrophobicContact CG2-CG 4.24Å; V432-L598 HydrophobicContact CG1-CD1 3.55Å
433	I	91.9	Very high	90.7	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.097	23%	0.231	C	C	.	.	H	α-helix	trans	-72.4	-40.6	177	-65.7	173	0	0	0	111.3	K429 Q430 R431 E435 N436 P437 V442 I507	K429-I433 HydrophobicContact CG-CD1 3.84Å; K429-I433 VanDerWaalsContact O-CG1 3.26Å; K429-I433 WeakPolarHBondContact O-CG1 3.33Å; K429-I433 PolarHBondContact O-N 3.45Å; K429-I433 VanDerWaalsContact O-N 3.14Å; Q430-I433 PolarHBondContact O-N 3.08Å; R431-I433 VanDerWaalsContact C-N 3.3Å; R431-I433 PolarHBondContact O-N 3.41Å; I433-E435 VanDerWaalsContact C-N 3.26Å; I433-E435 PolarHBondContact O-N 3.24Å; I433-N436 CarbonylContact O-C 3.58Å; I433-N436 PolarHBondContact O-N 3.38Å; I433-N436 VanDerWaalsContact O-N 3.11Å; I433-P437 WeakPolarHBondContact O-CA 3.42Å; I433-P437 VanDerWaalsContact O-N 3.09Å; I433-V442 HydrophobicContact CD1-CB 4.49Å; I433-V442 HydrophobicContact CD1-CG1 3.22Å; I433-I507 HydrophobicContact CD1-CB 4.44Å; I433-I507 HydrophobicContact CD1-CD1 4.39Å; I433-I507 HydrophobicContact CG1-CD1 4.04Å
434	A	91	Very high	91	Very high	73 Å²	73	47.5 Å²	47.5	60%	0.603	24%	0.238	S	C	*	.	H	α-helix	trans	-62.8	-32.7	177.1	0	0	0	0	0	112.5	Q430 R431 N436	Q430-A434 WeakPolarHBondContact O-CB 3.43Å; Q430-A434 PolarHBondContact O-N 3.31Å; R431-A434 PolarHBondContact O-N 3.44Å; A434-N436 VanDerWaalsContact C-N 3.33Å
435	E	90.1	Very high	91.3	Very high	86 Å²	86	41 Å²	41	40%	0.402	22%	0.215	S	C	.	.	H	α-helix	trans	-65.8	-33.4	173.9	-73.3	174.1	-160.5	0	0	112.4	R431 I433 R595	R431-E435 WeakPolarHBondContact O-CG 3.32Å; R431-E435 PolarHBondContact O-N 3.11Å; R431-E435 VanDerWaalsContact O-N 3.13Å; I433-E435 VanDerWaalsContact C-N 3.26Å; I433-E435 PolarHBondContact O-N 3.24Å; E435-R595 IonicContact OE2-CZ 3.69Å; E435-R595 IonicContact OE2-NE 3.13Å; E435-R595 PolarHBondContact OE2-NE 3.11Å; E435-R595 IonicContact OE2-NH2 3.48Å
436	N	90.2	Very high	91.5	Very high	37 Å²	37	42.3 Å²	42.3	20%	0.198	22%	0.221	C	C	.	.			trans	-143.3	68	-174.8	-72.1	-69.4	0	0	0	113.6	I433 A434 H438 R439 Y440	I433-N436 CarbonylContact O-C 3.58Å; I433-N436 PolarHBondContact O-N 3.38Å; I433-N436 VanDerWaalsContact O-N 3.11Å; A434-N436 VanDerWaalsContact C-N 3.33Å; N436-H438 PolarHBondContact O-N 3.32Å; N436-H438 VanDerWaalsContact O-N 3.16Å; N436-H438 PolarHBondContact OD1-CE1 3.17Å; N436-R439 PolarHBondContact O-N 3.21Å; N436-Y440 HydrophobicContact CB-CD2 3.72Å; N436-Y440 HydrophobicContact CB-CE2 3.71Å; N436-Y440 PolarHBondContact O-N 2.97Å; N436-Y440 VanDerWaalsContact O-N 3.13Å
437	P	91.1	Very high	91.9	Very high	76 Å²	76	41 Å²	41	49%	0.494	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-14	-173.5	28	-36.3	0	0	0	114.2	I433 K504	I433-P437 WeakPolarHBondContact O-CA 3.42Å; I433-P437 VanDerWaalsContact O-N 3.09Å; P437-K504 PolarHBondContact O-NZ 3.41Å
438	H	90.8	Very high	92.2	Very high	124 Å²	124	37.8 Å²	37.8	57%	0.574	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-29.5	176.9	65.1	-75	0	0	0	112.2	N436 K504	N436-H438 PolarHBondContact O-N 3.32Å; N436-H438 VanDerWaalsContact O-N 3.16Å; N436-H438 PolarHBondContact OD1-CE1 3.17Å; H438-K504 WeakPolarHBondContact O-CE 3.33Å
439	R	91	Very high	92.4	Very high	66 Å²	66	39.4 Å²	39.4	25%	0.249	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-38.1	-178.9	-73.5	172.2	70.9	-166.3	-1.2	113.3	N436 K504 M505 E602	N436-R439 PolarHBondContact O-N 3.21Å; R439-K504 WeakPolarHBondContact O-CA 3.5Å; R439-M505 PolarHBondContact O-N 2.88Å; R439-E602 IonicContact CZ-OE1 2.9Å; R439-E602 IonicContact CZ-OE2 3.39Å; R439-E602 IonicContact NE-OE1 2.92Å; R439-E602 IonicContact NE-OE2 3.49Å; R439-E602 IonicContact NH2-OE1 3.37Å; R439-E602 PolarHBondContact NH2-OE1 3.13Å; R439-E602 VanDerWaalsContact NH2-OE1 3.13Å; R439-E602 IonicContact NH2-OE2 2.74Å; R439-E602 PolarHBondContact NH2-OE2 3.35Å
440	Y	94.1	Very high	92.6	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.6	-172.7	-49.7	-45	0	0	0	111.6	V432 N436 M505 I507 L598	V432-Y440 HydrophobicContact CG1-CD2 4.16Å; V432-Y440 HydrophobicContact CG1-CE2 4.2Å; N436-Y440 HydrophobicContact CB-CD2 3.72Å; N436-Y440 HydrophobicContact CB-CE2 3.71Å; N436-Y440 PolarHBondContact O-N 2.97Å; N436-Y440 VanDerWaalsContact O-N 3.13Å; Y440-M505 HydrophobicContact CD1-CB 4.07Å; Y440-M505 HydrophobicContact CD1-SD 4.43Å; Y440-M505 HydrophobicContact CE1-CB 4.46Å; Y440-M505 HydrophobicContact CE1-SD 4.16Å; Y440-I507 HydrophobicContact CD1-CD1 4.33Å; Y440-I507 HydrophobicContact CG-CD1 4.09Å; Y440-L598 HydrophobicContact CD1-CD1 4.23Å; Y440-L598 HydrophobicContact CD2-CD1 4.28Å; Y440-L598 HydrophobicContact CE1-CB 4.06Å; Y440-L598 HydrophobicContact CE1-CD1 3.9Å; Y440-L598 HydrophobicContact CE2-CD1 3.92Å; Y440-L598 HydrophobicContact CG-CD1 4.43Å
441	A	93.8	Very high	92.8	Very high	20 Å²	20	47.1 Å²	47.1	17%	0.165	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	159.6	173.4	0	0	0	0	0	111.4	V499 K504 M505 C506 I507	A441-V499 HydrophobicContact CB-CG1 3.64Å; A441-V499 HydrophobicContact CB-CG2 4.4Å; A441-K504 HydrophobicContact CB-CB 4.23Å; A441-K504 HydrophobicContact CB-CD 3.89Å; A441-M505 PolarHBondContact N-O 3.5Å; A441-M505 VanDerWaalsContact N-O 3.16Å; A441-C506 WeakPolarHBondContact O-CA 3.4Å; A441-I507 PolarHBondContact O-N 3.02Å
442	V	93.3	Very high	92.9	Very high	31 Å²	31	46.6 Å²	46.6	19%	0.188	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-100.4	149.9	173.7	-63.6	0	0	0	0	110.9	K429 I433 V499	K429-V442 HydrophobicContact CD-CG1 3.86Å; K429-V442 HydrophobicContact CG-CG1 4.26Å; I433-V442 HydrophobicContact CD1-CB 4.49Å; I433-V442 HydrophobicContact CD1-CG1 3.22Å; V442-V499 WeakPolarHBondContact O-CG2 3.48Å
443	A	92.8	Very high	92.9	Very high	10 Å²	10	53 Å²	53	8%	0.083	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71	125.6	163.8	0	0	0	0	0	109.2	P445 T491 A495 I496	A443-P445 VanDerWaalsContact O-CD 3.32Å; A443-P445 WeakPolarHBondContact O-CD 3.37Å; A443-T491 HydrophobicContact CB-CG2 4.16Å; A443-A495 HydrophobicContact CB-CB 3.88Å; A443-I496 HydrophobicContact CB-CG1 3.85Å
444	V	92.3	Very high	92.9	Very high	24 Å²	24	58.3 Å²	58.3	15%	0.145	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-77.7	117.2	179.9	-178	0	0	0	0	109.3	A495	V444-A495 WeakPolarHBondContact O-CB 3.43Å
445	P	93.9	Very high	92.9	Very high	10 Å²	10	55.7 Å²	55.7	7%	0.065	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-75.5	163.1	-179.3	29.2	-32	0	0	0	112	A443 Y461 H462 G490	A443-P445 VanDerWaalsContact O-CD 3.32Å; A443-P445 WeakPolarHBondContact O-CD 3.37Å; P445-Y461 HydrophobicContact CB-CD1 4.2Å; P445-Y461 HydrophobicContact CB-CE1 4.29Å; P445-Y461 HydrophobicContact CG-CD1 3.61Å; P445-Y461 HydrophobicContact CG-CE1 3.57Å; P445-Y461 CarbonylContact O-C 3.56Å; P445-Y461 VanDerWaalsContact O-CA 3.24Å; P445-Y461 WeakPolarHBondContact O-CA 3.26Å; P445-H462 PolarHBondContact O-N 2.84Å; P445-G490 CarbonylContact C-O 3.57Å; P445-G490 WeakPolarHBondContact CA-O 3.34Å
446	H	94.6	Very high	93	Very high	28 Å²	28	58.4 Å²	58.4	13%	0.13	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	147.8	174.9	-62.9	54.8	0	0	0	109.7	H462 V464 F469 F478 Y489 G490 S492	H446-H462 CarbonylContact C-O 3.49Å; H446-H462 WeakPolarHBondContact CA-O 3.45Å; H446-H462 HydrophobicContact CB-CB 4.4Å; H446-H462 AromaticContact CE1-CD2 3.58Å; H446-H462 AromaticContact NE2-CD2 3.93Å; H446-H462 AromaticContact NE2-CG 3.94Å; H446-V464 HydrophobicContact CB-CG2 4.28Å; H446-F469 HydrophobicContact CB-CD2 4.34Å; H446-F469 HydrophobicContact CB-CE2 4.16Å; H446-F478 HydrophobicContact CB-CE1 3.81Å; H446-F478 HydrophobicContact CB-CZ 3.98Å; H446-F478 AromaticContact CG-CE1 3.83Å; H446-Y489 CarbonylContact O-C 3.6Å; H446-Y489 VanDerWaalsContact O-CA 3.28Å; H446-Y489 WeakPolarHBondContact O-CA 3.34Å; H446-G490 PolarHBondContact N-O 3.18Å; H446-G490 PolarHBondContact O-N 3.08Å; H446-S492 PolarHBondContact CE1-OG 3.43Å; H446-S492 VanDerWaalsContact CE1-OG 3.32Å
447	T	95.7	Very high	93.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.2	177.3	-176.6	0	0	0	0	111.6	R449 Y461 H462 F463 V464 Q488 Y489	T447-R449 HydrophobicContact CG2-CB 4.35Å; T447-R449 VanDerWaalsContact OG1-CB 3.25Å; T447-R449 WeakPolarHBondContact OG1-CB 3.4Å; T447-R449 PolarHBondContact OG1-N 3.43Å; T447-Y461 VanDerWaalsContact CG2-CB 3.47Å; T447-Y461 HydrophobicContact CG2-CD1 3.87Å; T447-Y461 HydrophobicContact CG2-CD2 4.27Å; T447-Y461 HydrophobicContact CG2-CG 3.63Å; T447-H462 PolarHBondContact N-O 3.03Å; T447-F463 HydrophobicContact CG2-CD1 3.44Å; T447-F463 VanDerWaalsContact CG2-CD1 3.44Å; T447-F463 HydrophobicContact CG2-CE1 3.68Å; T447-F463 HydrophobicContact CG2-CG 4.3Å; T447-V464 PolarHBondContact O-N 3.49Å; T447-Q488 CarbonylContact C-O 3.51Å; T447-Q488 VanDerWaalsContact CA-O 3.25Å; T447-Q488 WeakPolarHBondContact CA-O 3.48Å; T447-Q488 PolarHBondContact OG1-O 2.95Å; T447-Y489 WeakPolarHBondContact OG1-CD1 3.43Å; T447-Y489 WeakPolarHBondContact OG1-CE1 3.32Å
448	T	95.6	Very high	92.8	Very high	24 Å²	24	59 Å²	59	15%	0.147	31%	0.308	C	S	.	.			trans	-88.1	-8.7	167.8	64.7	0	0	0	0	113.3	V464 K466 F469 Q488	T448-V464 WeakPolarHBondContact CA-O 3.32Å; T448-K466 HydrophobicContact CG2-CB 4.25Å; T448-F469 HydrophobicContact CG2-CB 3.61Å; T448-F469 HydrophobicContact CG2-CD2 4.06Å; T448-F469 HydrophobicContact CG2-CG 3.87Å; T448-Q488 HydrophobicContact CG2-CB 3.92Å; T448-Q488 PolarHBondContact N-O 2.75Å; T448-Q488 PolarHBondContact OG1-N 3.26Å
449	R	95.1	Very high	92.6	Very high	34 Å²	34	56.3 Å²	56.3	13%	0.128	30%	0.301	C	S	.	.	S	Bend	trans	-61.1	137	175.3	-174.1	-179.9	55.9	88.4	-11.2	110.7	T447 E455 F463 N487 Y489	T447-R449 HydrophobicContact CG2-CB 4.35Å; T447-R449 VanDerWaalsContact OG1-CB 3.25Å; T447-R449 WeakPolarHBondContact OG1-CB 3.4Å; T447-R449 PolarHBondContact OG1-N 3.43Å; R449-E455 IonicContact CZ-OE1 3.61Å; R449-E455 IonicContact CZ-OE2 3.4Å; R449-E455 IonicContact NH1-OE1 3.59Å; R449-E455 IonicContact NH1-OE2 2.84Å; R449-E455 PolarHBondContact NH1-OE2 3.18Å; R449-E455 VanDerWaalsContact NH2-CD 3.28Å; R449-E455 IonicContact NH2-OE1 2.71Å; R449-E455 PolarHBondContact NH2-OE1 2.84Å; R449-E455 IonicContact NH2-OE2 3.06Å; R449-E455 PolarHBondContact NH2-OE2 3.42Å; R449-F463 VanDerWaalsContact O-CD1 3.24Å; R449-F463 WeakPolarHBondContact O-CD1 3.41Å; R449-N487 WeakPolarHBondContact CA-OD1 3.49Å; R449-N487 HydrophobicContact CB-CB 3.91Å; R449-Y489 WeakPolarHBondContact CD-OH 3.21Å; R449-Y489 PolarHBondContact NE-OH 3.01Å
450	P	93.4	Very high	92.4	Very high	100 Å²	100	54.3 Å²	54.3	65%	0.649	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-57.3	140.1	170.3	-24.1	33.4	0	0	0	112.8
451	K	94.8	Very high	92.3	Very high	119 Å²	119	55 Å²	55	52%	0.517	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-62.6	131.3	175	-172.5	-179.3	81.6	169.1	0	110.9	E455 F463	K451-E455 VanDerWaalsContact CD-O 3.28Å; K451-E455 WeakPolarHBondContact CD-O 3.37Å; K451-E455 HydrophobicContact CG-CB 3.95Å; K451-F463 VanDerWaalsContact CA-CE1 3.48Å; K451-F463 HydrophobicContact CB-CD1 3.82Å; K451-F463 HydrophobicContact CB-CD2 3.87Å; K451-F463 HydrophobicContact CB-CE1 3.87Å; K451-F463 HydrophobicContact CB-CE2 3.95Å; K451-F463 HydrophobicContact CB-CG 3.81Å; K451-F463 HydrophobicContact CB-CZ 3.93Å; K451-F463 HydrophobicContact CD-CD2 3.93Å; K451-F463 HydrophobicContact CD-CE2 3.89Å; K451-F463 HydrophobicContact CG-CD1 4.44Å; K451-F463 HydrophobicContact CG-CD2 3.81Å; K451-F463 HydrophobicContact CG-CE1 4.17Å; K451-F463 HydrophobicContact CG-CE2 3.51Å; K451-F463 HydrophobicContact CG-CG 4.28Å; K451-F463 HydrophobicContact CG-CZ 3.69Å
452	K	93.7	Very high	92.4	Very high	96 Å²	96	57 Å²	57	42%	0.417	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-79.1	159.8	172	-69.9	168.7	-175.2	172	0	111.4	H454 E455	K452-H454 PolarHBondContact O-N 3.48Å; K452-H454 VanDerWaalsContact O-N 3.12Å; K452-E455 HydrophobicContact CB-CB 4.45Å; K452-E455 HydrophobicContact CB-CG 3.99Å; K452-E455 WeakPolarHBondContact CB-OE2 3.45Å; K452-E455 PolarHBondContact N-OE2 2.97Å; K452-E455 PolarHBondContact O-N 2.76Å
453	P	92.8	Very high	92.5	Very high	136 Å²	136	57.6 Å²	57.6	88%	0.883	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.3	-177.7	-27.3	35.4	0	0	0	115.4
454	H	91	Very high	92.6	Very high	129 Å²	129	58.8 Å²	58.8	60%	0.597	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-5.7	179.7	53.8	-90.8	0	0	0	113.9	K452	K452-H454 PolarHBondContact O-N 3.48Å; K452-H454 VanDerWaalsContact O-N 3.12Å
455	E	91.9	Very high	92.8	Very high	18 Å²	18	61.9 Å²	61.9	8%	0.084	33%	0.328	C	S	.	.			trans	-92	143.7	-179.7	-67.3	173.7	154.2	0	0	110.4	R449 K451 K452 E460 F463	R449-E455 IonicContact CZ-OE1 3.61Å; R449-E455 IonicContact CZ-OE2 3.4Å; R449-E455 IonicContact NH1-OE1 3.59Å; R449-E455 IonicContact NH1-OE2 2.84Å; R449-E455 PolarHBondContact NH1-OE2 3.18Å; R449-E455 VanDerWaalsContact NH2-CD 3.28Å; R449-E455 IonicContact NH2-OE1 2.71Å; R449-E455 PolarHBondContact NH2-OE1 2.84Å; R449-E455 IonicContact NH2-OE2 3.06Å; R449-E455 PolarHBondContact NH2-OE2 3.42Å; K451-E455 VanDerWaalsContact CD-O 3.28Å; K451-E455 WeakPolarHBondContact CD-O 3.37Å; K451-E455 HydrophobicContact CG-CB 3.95Å; K452-E455 HydrophobicContact CB-CB 4.45Å; K452-E455 HydrophobicContact CB-CG 3.99Å; K452-E455 WeakPolarHBondContact CB-OE2 3.45Å; K452-E455 PolarHBondContact N-OE2 2.97Å; K452-E455 PolarHBondContact O-N 2.76Å; E455-E460 HydrophobicContact CG-CG 4.46Å; E455-F463 HydrophobicContact CB-CE2 4.32Å; E455-F463 HydrophobicContact CB-CZ 3.89Å
456	K	91.4	Very high	92.9	Very high	144 Å²	144	67.4 Å²	67.4	63%	0.626	35%	0.351	S	S	*	.			trans	-112.1	133.6	176.5	-67	-178.6	-177.5	177	0	109.7	G458 V459 E460	K456-G458 PolarHBondContact O-N 3.17Å; K456-V459 HydrophobicContact CB-CB 4.11Å; K456-V459 HydrophobicContact CB-CG2 3.86Å; K456-V459 PolarHBondContact O-N 2.73Å; K456-E460 PolarHBondContact N-OE2 3.22Å; K456-E460 PolarHBondContact O-N 3.02Å
457	D	91.3	Very high	93	Very high	93 Å²	93	74 Å²	74	50%	0.497	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-64.7	135	175.7	-173.6	63.5	0	0	0	110.3	V459 H462 F463	D457-V459 VanDerWaalsContact C-N 3.27Å; D457-V459 PolarHBondContact O-N 3.15Å; D457-H462 WeakPolarHBondContact OD1-CA 3.41Å; D457-F463 HydrophobicContact CB-CD2 4Å; D457-F463 WeakPolarHBondContact OD1-CD2 3.47Å; D457-F463 PolarHBondContact OD1-N 3.48Å
458	G	86.3	Confident	93	Very high	31 Å²	31	78.1 Å²	78.1	32%	0.32	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	5.3	-176.4	0	0	0	0	0	115.4	K456 Y461	K456-G458 PolarHBondContact O-N 3.17Å; G458-Y461 PolarHBondContact N-O 3.15Å
459	V	86.4	Confident	93	Very high	69 Å²	69	77 Å²	77	42%	0.418	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-63.9	172	-176.4	0	0	0	0	110.1	K456 D457	K456-V459 HydrophobicContact CB-CB 4.11Å; K456-V459 HydrophobicContact CB-CG2 3.86Å; K456-V459 PolarHBondContact O-N 2.73Å; D457-V459 VanDerWaalsContact C-N 3.27Å; D457-V459 PolarHBondContact O-N 3.15Å
460	E	86	Confident	93.1	Very high	23 Å²	23	78.3 Å²	78.3	11%	0.107	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-46.8	177.8	-68	75.8	-150.4	0	0	111.8	Y365 A367 E455 K456	Y365-E460 WeakPolarHBondContact O-CG 3.25Å; A367-E460 HydrophobicContact CB-CB 3.95Å; A367-E460 HydrophobicContact CB-CG 4.46Å; E455-E460 HydrophobicContact CG-CG 4.46Å; K456-E460 PolarHBondContact N-OE2 3.22Å; K456-E460 PolarHBondContact O-N 3.02Å
461	Y	92.8	Very high	93.2	Very high	17 Å²	17	75.3 Å²	75.3	7%	0.067	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-147.9	157.1	177.7	-66.4	-84.5	0	0	0	110.5	A367 P445 T447 G458 F463 Y489	A367-Y461 HydrophobicContact CB-CD2 3.81Å; A367-Y461 HydrophobicContact CB-CE1 4.31Å; A367-Y461 HydrophobicContact CB-CE2 3.08Å; A367-Y461 WeakPolarHBondContact CB-OH 3.5Å; P445-Y461 HydrophobicContact CB-CD1 4.2Å; P445-Y461 HydrophobicContact CB-CE1 4.29Å; P445-Y461 HydrophobicContact CG-CD1 3.61Å; P445-Y461 HydrophobicContact CG-CE1 3.57Å; P445-Y461 CarbonylContact O-C 3.56Å; P445-Y461 VanDerWaalsContact O-CA 3.24Å; P445-Y461 WeakPolarHBondContact O-CA 3.26Å; T447-Y461 VanDerWaalsContact CG2-CB 3.47Å; T447-Y461 HydrophobicContact CG2-CD1 3.87Å; T447-Y461 HydrophobicContact CG2-CD2 4.27Å; T447-Y461 HydrophobicContact CG2-CG 3.63Å; G458-Y461 PolarHBondContact N-O 3.15Å; Y461-F463 HydrophobicContact CD2-CE1 4.33Å; Y461-F463 HydrophobicContact CD2-CZ 4.18Å; Y461-F463 HydrophobicContact CG-CZ 4.49Å; Y461-F463 WeakPolarHBondContact O-CD2 3.44Å; Y461-F463 WeakPolarHBondContact O-CE2 3.47Å; Y461-Y489 HydrophobicContact CD1-CD1 4.26Å; Y461-Y489 AromaticContact CE1-CD1 3.62Å; Y461-Y489 HydrophobicContact CE1-CD1 3.62Å; Y461-Y489 AromaticContact CE1-CE1 3.89Å; Y461-Y489 HydrophobicContact CE1-CE1 3.89Å; Y461-Y489 AromaticContact CZ-CE1 3.95Å
462	H	94.6	Very high	93.2	Very high	61 Å²	61	70.4 Å²	70.4	28%	0.282	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	110.3	155.2	-70.5	-67.4	0	0	0	108.8	P445 H446 T447 D457 V464	P445-H462 PolarHBondContact O-N 2.84Å; H446-H462 CarbonylContact C-O 3.49Å; H446-H462 WeakPolarHBondContact CA-O 3.45Å; H446-H462 HydrophobicContact CB-CB 4.4Å; H446-H462 AromaticContact CE1-CD2 3.58Å; H446-H462 AromaticContact NE2-CD2 3.93Å; H446-H462 AromaticContact NE2-CG 3.94Å; T447-H462 PolarHBondContact N-O 3.03Å; D457-H462 WeakPolarHBondContact OD1-CA 3.41Å; H462-V464 PolarHBondContact O-N 2.95Å
463	F	95.6	Very high	93.2	Very high	43 Å²	43	66.8 Å²	66.8	19%	0.189	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	103.5	-178.3	-62.6	-79.6	0	0	0	109.4	T447 R449 K451 E455 D457 Y461	T447-F463 HydrophobicContact CG2-CD1 3.44Å; T447-F463 VanDerWaalsContact CG2-CD1 3.44Å; T447-F463 HydrophobicContact CG2-CE1 3.68Å; T447-F463 HydrophobicContact CG2-CG 4.3Å; R449-F463 VanDerWaalsContact O-CD1 3.24Å; R449-F463 WeakPolarHBondContact O-CD1 3.41Å; K451-F463 VanDerWaalsContact CA-CE1 3.48Å; K451-F463 HydrophobicContact CB-CD1 3.82Å; K451-F463 HydrophobicContact CB-CD2 3.87Å; K451-F463 HydrophobicContact CB-CE1 3.87Å; K451-F463 HydrophobicContact CB-CE2 3.95Å; K451-F463 HydrophobicContact CB-CG 3.81Å; K451-F463 HydrophobicContact CB-CZ 3.93Å; K451-F463 HydrophobicContact CD-CD2 3.93Å; K451-F463 HydrophobicContact CD-CE2 3.89Å; K451-F463 HydrophobicContact CG-CD1 4.44Å; K451-F463 HydrophobicContact CG-CD2 3.81Å; K451-F463 HydrophobicContact CG-CE1 4.17Å; K451-F463 HydrophobicContact CG-CE2 3.51Å; K451-F463 HydrophobicContact CG-CG 4.28Å; K451-F463 HydrophobicContact CG-CZ 3.69Å; E455-F463 HydrophobicContact CB-CE2 4.32Å; E455-F463 HydrophobicContact CB-CZ 3.89Å; D457-F463 HydrophobicContact CB-CD2 4Å; D457-F463 WeakPolarHBondContact OD1-CD2 3.47Å; D457-F463 PolarHBondContact OD1-N 3.48Å; Y461-F463 HydrophobicContact CD2-CE1 4.33Å; Y461-F463 HydrophobicContact CD2-CZ 4.18Å; Y461-F463 HydrophobicContact CG-CZ 4.49Å; Y461-F463 WeakPolarHBondContact O-CD2 3.44Å; Y461-F463 WeakPolarHBondContact O-CE2 3.47Å
464	V	96.1	Very high	93.3	Very high	35 Å²	35	67.2 Å²	67.2	21%	0.212	35%	0.349	C	S	.	.			trans	-116.3	159.7	-174.8	-63.4	0	0	0	0	111.7	H446 T447 T448 H462 Q468 F469	H446-V464 HydrophobicContact CB-CG2 4.28Å; T447-V464 PolarHBondContact O-N 3.49Å; T448-V464 WeakPolarHBondContact CA-O 3.32Å; H462-V464 PolarHBondContact O-N 2.95Å; V464-Q468 HydrophobicContact CB-CB 4.45Å; V464-Q468 HydrophobicContact CB-CG 4.41Å; V464-F469 HydrophobicContact CG2-CB 4.09Å; V464-F469 HydrophobicContact CG2-CD2 3.92Å
465	T	96.5	Very high	93.5	Very high	89 Å²	89	66.2 Å²	66.2	55%	0.546	35%	0.348	S	S	.	.			trans	-73.7	155.8	173.5	66.1	0	0	0	0	110.6	Q467 Q468 F469	T465-Q467 VanDerWaalsContact C-N 3.27Å; T465-Q467 PolarHBondContact O-N 3.3Å; T465-Q468 PolarHBondContact O-N 2.69Å; T465-Q468 WeakPolarHBondContact OG1-CB 3.49Å; T465-Q468 PolarHBondContact OG1-N 3.37Å; T465-F469 PolarHBondContact O-N 3.13Å
466	K	95	Very high	93.5	Very high	126 Å²	126	71.3 Å²	71.3	55%	0.548	38%	0.376	S	S	.	.	H	α-helix	trans	-57	-41.1	175.2	-173.3	169.7	-176	174.7	0	112.5	T448 Q468 F469 D470	T448-K466 HydrophobicContact CG2-CB 4.25Å; K466-Q468 PolarHBondContact O-N 2.99Å; K466-F469 PolarHBondContact O-N 3.13Å; K466-D470 WeakPolarHBondContact O-CB 3.44Å; K466-D470 VanDerWaalsContact O-CG 3.29Å; K466-D470 PolarHBondContact O-N 2.91Å
467	Q	96.3	Very high	93.6	Very high	167 Å²	167	69 Å²	69	78%	0.78	37%	0.366	S	S	*	.	H	α-helix	trans	-60.6	-44.5	176.4	-68.8	176.9	-11.7	0	0	112.3	T465 A471	T465-Q467 VanDerWaalsContact C-N 3.27Å; T465-Q467 PolarHBondContact O-N 3.3Å; Q467-A471 WeakPolarHBondContact O-CB 3.23Å; Q467-A471 PolarHBondContact O-N 3.46Å
468	Q	96.1	Very high	93.7	Very high	86 Å²	86	64.8 Å²	64.8	40%	0.402	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-42.9	177.2	-177.4	59.8	36.9	0	0	111.3	V464 T465 K466 A471 D472	V464-Q468 HydrophobicContact CB-CB 4.45Å; V464-Q468 HydrophobicContact CB-CG 4.41Å; T465-Q468 PolarHBondContact O-N 2.69Å; T465-Q468 WeakPolarHBondContact OG1-CB 3.49Å; T465-Q468 PolarHBondContact OG1-N 3.37Å; K466-Q468 PolarHBondContact O-N 2.99Å; Q468-A471 PolarHBondContact O-N 2.83Å; Q468-D472 VanDerWaalsContact NE2-CG 3.28Å; Q468-D472 PolarHBondContact NE2-OD1 3.3Å; Q468-D472 VanDerWaalsContact NE2-OD1 3.14Å; Q468-D472 PolarHBondContact NE2-OD2 2.94Å; Q468-D472 WeakPolarHBondContact O-CB 3.39Å; Q468-D472 PolarHBondContact O-N 2.95Å
469	F	96.8	Very high	94	Very high	1 Å²	1	63.4 Å²	63.4	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-47.6	178.1	-166.5	-77.7	0	0	0	111.7	H446 T448 V464 T465 K466 A471 D472 A473 F478 H481 Q488 Y489	H446-F469 HydrophobicContact CB-CD2 4.34Å; H446-F469 HydrophobicContact CB-CE2 4.16Å; T448-F469 HydrophobicContact CG2-CB 3.61Å; T448-F469 HydrophobicContact CG2-CD2 4.06Å; T448-F469 HydrophobicContact CG2-CG 3.87Å; V464-F469 HydrophobicContact CG2-CB 4.09Å; V464-F469 HydrophobicContact CG2-CD2 3.92Å; T465-F469 PolarHBondContact O-N 3.13Å; K466-F469 PolarHBondContact O-N 3.13Å; F469-A471 VanDerWaalsContact C-N 3.33Å; F469-A471 PolarHBondContact O-N 3.17Å; F469-D472 PolarHBondContact O-N 3.31Å; F469-A473 WeakPolarHBondContact O-CB 3.43Å; F469-A473 PolarHBondContact O-N 3.39Å; F469-F478 HydrophobicContact CD1-CE2 4.13Å; F469-F478 HydrophobicContact CD2-CE2 4.06Å; F469-F478 AromaticContact CD2-CZ 3.81Å; F469-F478 HydrophobicContact CD2-CZ 3.81Å; F469-F478 HydrophobicContact CE1-CD2 4.33Å; F469-F478 AromaticContact CE1-CE2 3.95Å; F469-F478 HydrophobicContact CE1-CE2 3.95Å; F469-F478 HydrophobicContact CE1-CZ 4.49Å; F469-F478 HydrophobicContact CE2-CE1 4.16Å; F469-F478 AromaticContact CE2-CE2 3.9Å; F469-F478 HydrophobicContact CE2-CE2 3.9Å; F469-F478 AromaticContact CE2-CZ 3.6Å; F469-F478 HydrophobicContact CE2-CZ 3.6Å; F469-F478 HydrophobicContact CG-CE2 4.16Å; F469-F478 HydrophobicContact CG-CZ 4.35Å; F469-F478 HydrophobicContact CZ-CD2 4.25Å; F469-F478 HydrophobicContact CZ-CE1 4.47Å; F469-F478 AromaticContact CZ-CE2 3.83Å; F469-F478 HydrophobicContact CZ-CE2 3.83Å; F469-F478 AromaticContact CZ-CZ 3.96Å; F469-F478 HydrophobicContact CZ-CZ 3.96Å; F469-H481 HydrophobicContact CE1-CB 4.02Å; F469-H481 HydrophobicContact CZ-CB 3.85Å; F469-Q488 HydrophobicContact CD1-CB 3.78Å; F469-Q488 HydrophobicContact CD1-CG 4.33Å; F469-Q488 HydrophobicContact CD2-CB 4.36Å; F469-Q488 HydrophobicContact CE1-CB 3.68Å; F469-Q488 HydrophobicContact CE1-CG 4.37Å; F469-Q488 HydrophobicContact CE2-CB 4.25Å; F469-Q488 HydrophobicContact CG-CB 4.15Å; F469-Q488 HydrophobicContact CZ-CB 3.93Å; F469-Y489 VanDerWaalsContact CZ-C 3.46Å
470	D	95.6	Very high	94.3	Very high	62 Å²	62	61.1 Å²	61.1	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-40	178.3	-70.1	-26.3	0	0	0	111.1	K466 A473 L474 Q488	K466-D470 WeakPolarHBondContact O-CB 3.44Å; K466-D470 VanDerWaalsContact O-CG 3.29Å; K466-D470 PolarHBondContact O-N 2.91Å; D470-A473 PolarHBondContact O-N 3.4Å; D470-L474 VanDerWaalsContact O-CG 3.29Å; D470-L474 WeakPolarHBondContact O-CG 3.24Å; D470-L474 PolarHBondContact O-N 3.14Å; D470-Q488 PolarHBondContact OD1-NE2 3.45Å; D470-Q488 PolarHBondContact OD1-OE1 2.92Å
471	A	96.4	Very high	94.6	Very high	37 Å²	37	65 Å²	65	31%	0.306	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-43.3	174.2	0	0	0	0	0	112.5	Q467 Q468 F469 A473 L474 N475	Q467-A471 WeakPolarHBondContact O-CB 3.23Å; Q467-A471 PolarHBondContact O-N 3.46Å; Q468-A471 PolarHBondContact O-N 2.83Å; F469-A471 VanDerWaalsContact C-N 3.33Å; F469-A471 PolarHBondContact O-N 3.17Å; A471-A473 VanDerWaalsContact C-N 3.33Å; A471-L474 PolarHBondContact O-N 3.18Å; A471-N475 WeakPolarHBondContact O-CB 3.38Å; A471-N475 PolarHBondContact O-N 3.43Å; A471-N475 PolarHBondContact O-ND2 3.36Å
472	D	95.2	Very high	94.6	Very high	15 Å²	15	64.8 Å²	64.8	8%	0.08	33%	0.334	C	S	.	.	H	α-helix	trans	-69	-32.5	178.1	-72.7	-30.5	0	0	0	112.3	Q468 F469 N476 K477 F478	Q468-D472 VanDerWaalsContact NE2-CG 3.28Å; Q468-D472 PolarHBondContact NE2-OD1 3.3Å; Q468-D472 VanDerWaalsContact NE2-OD1 3.14Å; Q468-D472 PolarHBondContact NE2-OD2 2.94Å; Q468-D472 WeakPolarHBondContact O-CB 3.39Å; Q468-D472 PolarHBondContact O-N 2.95Å; F469-D472 PolarHBondContact O-N 3.31Å; D472-N476 PolarHBondContact O-N 3.47Å; D472-K477 HydrophobicContact CB-CB 4.37Å; D472-K477 HydrophobicContact CB-CD 4.13Å; D472-K477 WeakPolarHBondContact O-CB 3.32Å; D472-K477 PolarHBondContact O-N 2.97Å; D472-K477 WeakPolarHBondContact OD1-CD 3.5Å; D472-K477 WeakPolarHBondContact OD1-CE 3.4Å; D472-K477 IonicContact OD1-NZ 2.94Å; D472-K477 PolarHBondContact OD1-NZ 2.82Å; D472-F478 HydrophobicContact CB-CD2 4.37Å; D472-F478 HydrophobicContact CB-CE2 3.63Å; D472-F478 HydrophobicContact CB-CZ 4.08Å
473	A	93.4	Very high	94.4	Very high	21 Å²	21	67.1 Å²	67.1	17%	0.174	35%	0.345	C	S	.	.	H	α-helix	trans	-66.9	-46.2	172.3	0	0	0	0	0	112.1	F469 D470 A471 N475 N476 F478	F469-A473 WeakPolarHBondContact O-CB 3.43Å; F469-A473 PolarHBondContact O-N 3.39Å; D470-A473 PolarHBondContact O-N 3.4Å; A471-A473 VanDerWaalsContact C-N 3.33Å; A473-N475 VanDerWaalsContact C-N 3.26Å; A473-N475 PolarHBondContact O-N 3.39Å; A473-N476 PolarHBondContact O-N 3.2Å; A473-F478 HydrophobicContact CB-CD2 4.01Å; A473-F478 HydrophobicContact CB-CE2 4.41Å
474	L	94.8	Very high	94	Very high	144 Å²	144	68 Å²	68	75%	0.754	35%	0.347	S	S	*	.	H	α-helix	trans	-61.1	-35.3	176	-73.7	169.2	0	0	0	112.4	D470 A471 N476	D470-L474 VanDerWaalsContact O-CG 3.29Å; D470-L474 WeakPolarHBondContact O-CG 3.24Å; D470-L474 PolarHBondContact O-N 3.14Å; A471-L474 PolarHBondContact O-N 3.18Å; L474-N476 PolarHBondContact O-N 3.42Å
475	N	94.3	Very high	93.7	Very high	109 Å²	109	73.6 Å²	73.6	58%	0.583	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	12.6	176.4	-70.9	-54.9	0	0	0	113.9	A471 A473 K477	A471-N475 WeakPolarHBondContact O-CB 3.38Å; A471-N475 PolarHBondContact O-N 3.43Å; A471-N475 PolarHBondContact O-ND2 3.36Å; A473-N475 VanDerWaalsContact C-N 3.26Å; A473-N475 PolarHBondContact O-N 3.39Å; N475-K477 HydrophobicContact CB-CG 4.24Å; N475-K477 PolarHBondContact O-N 3.49Å; N475-K477 VanDerWaalsContact O-N 3.15Å
476	N	92.2	Very high	93.5	Very high	124 Å²	124	77.5 Å²	77.5	66%	0.663	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	28	178.8	-66.7	-58.1	0	0	0	114.9	D472 A473 L474	D472-N476 PolarHBondContact O-N 3.47Å; A473-N476 PolarHBondContact O-N 3.2Å; L474-N476 PolarHBondContact O-N 3.42Å
477	K	93.4	Very high	93.4	Very high	97 Å²	97	73.2 Å²	73.2	42%	0.422	36%	0.364	S	S	.	.			trans	-76.5	-22.9	179.9	-64.3	-172	-172.8	166.3	0	113.7	D472 N475 S492 I493	D472-K477 HydrophobicContact CB-CB 4.37Å; D472-K477 HydrophobicContact CB-CD 4.13Å; D472-K477 WeakPolarHBondContact O-CB 3.32Å; D472-K477 PolarHBondContact O-N 2.97Å; D472-K477 WeakPolarHBondContact OD1-CD 3.5Å; D472-K477 WeakPolarHBondContact OD1-CE 3.4Å; D472-K477 IonicContact OD1-NZ 2.94Å; D472-K477 PolarHBondContact OD1-NZ 2.82Å; N475-K477 HydrophobicContact CB-CG 4.24Å; N475-K477 PolarHBondContact O-N 3.49Å; N475-K477 VanDerWaalsContact O-N 3.15Å; K477-S492 WeakPolarHBondContact O-CA 3.32Å; K477-I493 PolarHBondContact O-N 2.99Å
478	F	93.5	Very high	93.3	Very high	3 Å²	3	66.7 Å²	66.7	1%	0.013	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131	179.6	-68.6	-62.1	0	0	0	111.8	H446 F469 D472 A473 E480 H481 T491 R517	H446-F478 HydrophobicContact CB-CE1 3.81Å; H446-F478 HydrophobicContact CB-CZ 3.98Å; H446-F478 AromaticContact CG-CE1 3.83Å; F469-F478 HydrophobicContact CD1-CE2 4.13Å; F469-F478 HydrophobicContact CD2-CE2 4.06Å; F469-F478 AromaticContact CD2-CZ 3.81Å; F469-F478 HydrophobicContact CD2-CZ 3.81Å; F469-F478 HydrophobicContact CE1-CD2 4.33Å; F469-F478 AromaticContact CE1-CE2 3.95Å; F469-F478 HydrophobicContact CE1-CE2 3.95Å; F469-F478 HydrophobicContact CE1-CZ 4.49Å; F469-F478 HydrophobicContact CE2-CE1 4.16Å; F469-F478 AromaticContact CE2-CE2 3.9Å; F469-F478 HydrophobicContact CE2-CE2 3.9Å; F469-F478 AromaticContact CE2-CZ 3.6Å; F469-F478 HydrophobicContact CE2-CZ 3.6Å; F469-F478 HydrophobicContact CG-CE2 4.16Å; F469-F478 HydrophobicContact CG-CZ 4.35Å; F469-F478 HydrophobicContact CZ-CD2 4.25Å; F469-F478 HydrophobicContact CZ-CE1 4.47Å; F469-F478 AromaticContact CZ-CE2 3.83Å; F469-F478 HydrophobicContact CZ-CE2 3.83Å; F469-F478 AromaticContact CZ-CZ 3.96Å; F469-F478 HydrophobicContact CZ-CZ 3.96Å; D472-F478 HydrophobicContact CB-CD2 4.37Å; D472-F478 HydrophobicContact CB-CE2 3.63Å; D472-F478 HydrophobicContact CB-CZ 4.08Å; A473-F478 HydrophobicContact CB-CD2 4.01Å; A473-F478 HydrophobicContact CB-CE2 4.41Å; F478-E480 VanDerWaalsContact C-N 3.32Å; F478-H481 HydrophobicContact CB-CB 4.24Å; F478-H481 HydrophobicContact CD2-CB 4.47Å; F478-H481 HydrophobicContact CG-CB 4.36Å; F478-T491 CarbonylContact C-O 3.49Å; F478-T491 WeakPolarHBondContact CA-O 3.48Å; F478-R517 PolarHBondContact O-NH1 2.82Å; F478-R517 PolarHBondContact O-NH2 2.82Å; F478-R517 VanDerWaalsContact O-NH2 3.12Å
479	I	93.6	Very high	93.2	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.015	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-26.1	171.4	55.7	157.8	0	0	0	112.1	T491 I493 I496 V510 R517 L518	I479-T491 HydrophobicContact CD1-CG2 3.88Å; I479-T491 HydrophobicContact CG1-CG2 4.06Å; I479-T491 WeakPolarHBondContact CG1-O 3.24Å; I479-T491 PolarHBondContact N-O 2.86Å; I479-I493 HydrophobicContact CG2-CB 4Å; I479-I493 HydrophobicContact CG2-CG1 4.39Å; I479-I496 HydrophobicContact CD1-CD1 3.72Å; I479-V510 HydrophobicContact CD1-CG1 3.74Å; I479-R517 VanDerWaalsContact O-CZ 3.28Å; I479-R517 PolarHBondContact O-NE 3.45Å; I479-R517 PolarHBondContact O-NH2 3.22Å; I479-L518 HydrophobicContact CD1-CD1 4.17Å; I479-L518 HydrophobicContact CD1-CD2 4.1Å; I479-L518 HydrophobicContact CD1-CG 4.47Å; I479-L518 HydrophobicContact CG2-CD2 4.03Å
480	E	92.5	Very high	93	Very high	20 Å²	20	63.3 Å²	63.3	9%	0.093	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	146.6	169.9	62.3	177.4	-170.2	0	0	108.4	F478 G490 T491 V510 Q511	F478-E480 VanDerWaalsContact C-N 3.32Å; E480-G490 CarbonylContact O-C 3.6Å; E480-G490 WeakPolarHBondContact O-CA 3.37Å; E480-T491 PolarHBondContact O-N 3.07Å; E480-V510 HydrophobicContact CG-CG1 4.41Å; E480-V510 WeakPolarHBondContact OE2-CA 3.43Å; E480-V510 WeakPolarHBondContact OE2-CB 3.42Å; E480-Q511 PolarHBondContact OE2-N 3.41Å
481	H	92.8	Very high	93	Very high	105 Å²	105	60.8 Å²	60.8	49%	0.486	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154.8	171.5	64.2	89.9	0	0	0	110.2	F469 F478 Y489	F469-H481 HydrophobicContact CE1-CB 4.02Å; F469-H481 HydrophobicContact CZ-CB 3.85Å; F478-H481 HydrophobicContact CB-CB 4.24Å; F478-H481 HydrophobicContact CD2-CB 4.47Å; F478-H481 HydrophobicContact CG-CB 4.36Å; H481-Y489 CarbonylContact C-O 3.6Å; H481-Y489 WeakPolarHBondContact CA-O 3.34Å
482	G	91	Very high	92.9	Very high	12 Å²	12	59.4 Å²	59.4	12%	0.124	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	172.4	-179.3	0	0	0	0	0	112	Q488 Y489	G482-Q488 CarbonylContact O-C 3.59Å; G482-Q488 WeakPolarHBondContact O-CA 3.33Å; G482-Y489 PolarHBondContact N-O 2.84Å; G482-Y489 PolarHBondContact O-N 3.47Å
483	E	91.6	Very high	92.8	Very high	111 Å²	111	60.6 Å²	60.6	52%	0.519	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.8	179.3	-169.1	-177.4	153.9	0	0	110.4	F373 E486 N487	F373-E483 WeakPolarHBondContact CD1-O 3.42Å; E483-E486 WeakPolarHBondContact OE1-CA 3.34Å; E483-N487 CarbonylContact C-O 3.54Å; E483-N487 WeakPolarHBondContact CA-O 3.46Å
484	Y	88	Confident	92.8	Very high	61 Å²	61	64.8 Å²	64.8	24%	0.239	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	125.3	174.3	179.2	-104.4	0	0	0	110.6	S372 F373 E486 N487 Y489	S372-Y484 VanDerWaalsContact O-CD2 3.24Å; S372-Y484 WeakPolarHBondContact O-CD2 3.46Å; S372-Y484 WeakPolarHBondContact O-CE2 3.37Å; S372-Y484 WeakPolarHBondContact OG-CE2 3.48Å; F373-Y484 VanDerWaalsContact CE1-CB 3.49Å; F373-Y484 HydrophobicContact CE1-CG 4.46Å; Y484-E486 VanDerWaalsContact C-N 3.3Å; Y484-E486 PolarHBondContact O-N 3.21Å; Y484-N487 PolarHBondContact N-O 2.8Å; Y484-N487 PolarHBondContact O-N 3.42Å; Y484-N487 VanDerWaalsContact O-N 3.11Å; Y484-N487 VanDerWaalsContact O-O 3.12Å; Y484-Y489 HydrophobicContact CD1-CE2 4.36Å
485	K	89.7	Confident	92.8	Very high	153 Å²	153	58.1 Å²	58.1	67%	0.665	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	53.6	-177.1	-64.7	-175.6	172.3	-172.8	0	111.4	N487	K485-N487 PolarHBondContact O-N 2.58Å; K485-N487 PolarHBondContact O-ND2 3.33Å
486	E	90.8	Very high	92.8	Very high	170 Å²	170	53 Å²	53	79%	0.794	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	4	177.5	-52.5	177.3	165.6	0	0	115.6	E483 Y484	E483-E486 WeakPolarHBondContact OE1-CA 3.34Å; Y484-E486 VanDerWaalsContact C-N 3.3Å; Y484-E486 PolarHBondContact O-N 3.21Å
487	N	93.8	Very high	92.9	Very high	37 Å²	37	50.6 Å²	50.6	20%	0.198	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143	177.1	-63.5	-78.7	0	0	0	109.6	R449 E483 Y484 K485 Y489	R449-N487 WeakPolarHBondContact CA-OD1 3.49Å; R449-N487 HydrophobicContact CB-CB 3.91Å; E483-N487 CarbonylContact C-O 3.54Å; E483-N487 WeakPolarHBondContact CA-O 3.46Å; Y484-N487 PolarHBondContact N-O 2.8Å; Y484-N487 PolarHBondContact O-N 3.42Å; Y484-N487 VanDerWaalsContact O-N 3.11Å; Y484-N487 VanDerWaalsContact O-O 3.12Å; K485-N487 PolarHBondContact O-N 2.58Å; K485-N487 PolarHBondContact O-ND2 3.33Å; N487-Y489 HydrophobicContact CB-CE2 3.81Å; N487-Y489 WeakPolarHBondContact O-CD2 3.3Å; N487-Y489 WeakPolarHBondContact O-CE2 3.35Å
488	Q	94.3	Very high	93	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.14	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	143.3	177.4	-65.8	167.3	-47.9	0	0	109.5	T447 T448 F469 D470 G482	T447-Q488 CarbonylContact C-O 3.51Å; T447-Q488 VanDerWaalsContact CA-O 3.25Å; T447-Q488 WeakPolarHBondContact CA-O 3.48Å; T447-Q488 PolarHBondContact OG1-O 2.95Å; T448-Q488 HydrophobicContact CG2-CB 3.92Å; T448-Q488 PolarHBondContact N-O 2.75Å; T448-Q488 PolarHBondContact OG1-N 3.26Å; F469-Q488 HydrophobicContact CD1-CB 3.78Å; F469-Q488 HydrophobicContact CD1-CG 4.33Å; F469-Q488 HydrophobicContact CD2-CB 4.36Å; F469-Q488 HydrophobicContact CE1-CB 3.68Å; F469-Q488 HydrophobicContact CE1-CG 4.37Å; F469-Q488 HydrophobicContact CE2-CB 4.25Å; F469-Q488 HydrophobicContact CG-CB 4.15Å; F469-Q488 HydrophobicContact CZ-CB 3.93Å; D470-Q488 PolarHBondContact OD1-NE2 3.45Å; D470-Q488 PolarHBondContact OD1-OE1 2.92Å; G482-Q488 CarbonylContact O-C 3.59Å; G482-Q488 WeakPolarHBondContact O-CA 3.33Å
489	Y	93.6	Very high	93	Very high	16 Å²	16	48.4 Å²	48.4	6%	0.063	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.7	175.3	-59.3	-100.3	0	0	0	109.7	L369 F373 H446 T447 R449 Y461 F469 H481 G482 Y484 N487	L369-Y489 HydrophobicContact CD1-CD1 4.18Å; L369-Y489 HydrophobicContact CD1-CG 4.16Å; F373-Y489 HydrophobicContact CE1-CD2 4.09Å; F373-Y489 HydrophobicContact CE1-CG 4.48Å; F373-Y489 HydrophobicContact CZ-CD2 4.38Å; F373-Y489 HydrophobicContact CZ-CG 4.42Å; H446-Y489 CarbonylContact O-C 3.6Å; H446-Y489 VanDerWaalsContact O-CA 3.28Å; H446-Y489 WeakPolarHBondContact O-CA 3.34Å; T447-Y489 WeakPolarHBondContact OG1-CD1 3.43Å; T447-Y489 WeakPolarHBondContact OG1-CE1 3.32Å; R449-Y489 WeakPolarHBondContact CD-OH 3.21Å; R449-Y489 PolarHBondContact NE-OH 3.01Å; Y461-Y489 HydrophobicContact CD1-CD1 4.26Å; Y461-Y489 AromaticContact CE1-CD1 3.62Å; Y461-Y489 HydrophobicContact CE1-CD1 3.62Å; Y461-Y489 AromaticContact CE1-CE1 3.89Å; Y461-Y489 HydrophobicContact CE1-CE1 3.89Å; Y461-Y489 AromaticContact CZ-CE1 3.95Å; F469-Y489 VanDerWaalsContact CZ-C 3.46Å; H481-Y489 CarbonylContact C-O 3.6Å; H481-Y489 WeakPolarHBondContact CA-O 3.34Å; G482-Y489 PolarHBondContact N-O 2.84Å; G482-Y489 PolarHBondContact O-N 3.47Å; Y484-Y489 HydrophobicContact CD1-CE2 4.36Å; N487-Y489 HydrophobicContact CB-CE2 3.81Å; N487-Y489 WeakPolarHBondContact O-CD2 3.3Å; N487-Y489 WeakPolarHBondContact O-CE2 3.35Å
490	G	93.4	Very high	92.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	149.1	178.4	0	0	0	0	0	113.2	P445 H446 E480	P445-G490 CarbonylContact C-O 3.57Å; P445-G490 WeakPolarHBondContact CA-O 3.34Å; H446-G490 PolarHBondContact N-O 3.18Å; H446-G490 PolarHBondContact O-N 3.08Å; E480-G490 CarbonylContact O-C 3.6Å; E480-G490 WeakPolarHBondContact O-CA 3.37Å
491	T	94.1	Very high	92.9	Very high	8 Å²	8	50.8 Å²	50.8	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.6	175.7	-55.2	0	0	0	0	107.8	A443 F478 I479 E480 V508	A443-T491 HydrophobicContact CB-CG2 4.16Å; F478-T491 CarbonylContact C-O 3.49Å; F478-T491 WeakPolarHBondContact CA-O 3.48Å; I479-T491 HydrophobicContact CD1-CG2 3.88Å; I479-T491 HydrophobicContact CG1-CG2 4.06Å; I479-T491 WeakPolarHBondContact CG1-O 3.24Å; I479-T491 PolarHBondContact N-O 2.86Å; E480-T491 PolarHBondContact O-N 3.07Å; T491-V508 HydrophobicContact CG2-CG2 4.26Å
492	S	94.7	Very high	92.9	Very high	8 Å²	8	53 Å²	53	6%	0.056	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	151.3	-179.7	70.4	0	0	0	0	111.3	H446 K477 E494 A495	H446-S492 PolarHBondContact CE1-OG 3.43Å; H446-S492 VanDerWaalsContact CE1-OG 3.32Å; K477-S492 WeakPolarHBondContact O-CA 3.32Å; S492-E494 PolarHBondContact O-N 3.46Å; S492-A495 WeakPolarHBondContact O-CB 3.34Å; S492-A495 PolarHBondContact O-N 2.82Å; S492-A495 WeakPolarHBondContact OG-CB 3.36Å; S492-A495 PolarHBondContact OG-N 2.86Å; S492-A495 VanDerWaalsContact OG-N 3.11Å
493	I	93.8	Very high	93	Very high	41 Å²	41	57.7 Å²	57.7	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-35	173	-166.9	166.6	0	0	0	111.2	K477 I479 A495 I496 R497 F523	K477-I493 PolarHBondContact O-N 2.99Å; I479-I493 HydrophobicContact CG2-CB 4Å; I479-I493 HydrophobicContact CG2-CG1 4.39Å; I493-A495 VanDerWaalsContact C-N 3.32Å; I493-A495 PolarHBondContact O-N 2.75Å; I493-I496 WeakPolarHBondContact O-CB 3.33Å; I493-I496 PolarHBondContact O-N 3.01Å; I493-R497 PolarHBondContact O-N 2.69Å; I493-R497 VanDerWaalsContact O-N 3.13Å; I493-F523 HydrophobicContact CD1-CE2 3.87Å; I493-F523 HydrophobicContact CD1-CZ 3.8Å; I493-F523 HydrophobicContact CG1-CE2 4.08Å; I493-F523 HydrophobicContact CG1-CZ 3.59Å
494	E	93.9	Very high	93	Very high	108 Å²	108	55.3 Å²	55.3	51%	0.505	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-32.9	178.7	-164.7	55.9	-143.2	0	0	112.2	S492 I496 R497 S498	S492-E494 PolarHBondContact O-N 3.46Å; E494-I496 VanDerWaalsContact C-N 3.25Å; E494-I496 PolarHBondContact O-N 2.87Å; E494-R497 PolarHBondContact O-N 3.22Å; E494-R497 WeakPolarHBondContact OE2-CD 3.27Å; E494-R497 IonicContact OE2-NH1 2.7Å; E494-S498 WeakPolarHBondContact O-CB 3.46Å; E494-S498 PolarHBondContact O-N 3.25Å
495	A	94.2	Very high	93.3	Very high	5 Å²	5	52.7 Å²	52.7	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-38.1	174.4	0	0	0	0	0	111.4	A443 V444 S492 I493 S498 V499	A443-A495 HydrophobicContact CB-CB 3.88Å; V444-A495 WeakPolarHBondContact O-CB 3.43Å; S492-A495 WeakPolarHBondContact O-CB 3.34Å; S492-A495 PolarHBondContact O-N 2.82Å; S492-A495 WeakPolarHBondContact OG-CB 3.36Å; S492-A495 PolarHBondContact OG-N 2.86Å; S492-A495 VanDerWaalsContact OG-N 3.11Å; I493-A495 VanDerWaalsContact C-N 3.32Å; I493-A495 PolarHBondContact O-N 2.75Å; A495-S498 PolarHBondContact O-OG 3.26Å; A495-V499 PolarHBondContact O-N 3.2Å
496	I	94.3	Very high	93.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-47.6	174.3	-65	173.1	0	0	0	110.9	L414 A443 I479 I493 E494 S498 V499 Q500 L518 F523	L414-I496 HydrophobicContact CD1-CD1 4.41Å; L414-I496 HydrophobicContact CD1-CG2 3.78Å; L414-I496 HydrophobicContact CD2-CD1 4.23Å; L414-I496 HydrophobicContact CD2-CG2 4.31Å; A443-I496 HydrophobicContact CB-CG1 3.85Å; I479-I496 HydrophobicContact CD1-CD1 3.72Å; I493-I496 WeakPolarHBondContact O-CB 3.33Å; I493-I496 PolarHBondContact O-N 3.01Å; E494-I496 VanDerWaalsContact C-N 3.25Å; E494-I496 PolarHBondContact O-N 2.87Å; I496-S498 VanDerWaalsContact C-N 3.26Å; I496-S498 PolarHBondContact O-N 3.09Å; I496-V499 PolarHBondContact O-N 2.9Å; I496-V499 VanDerWaalsContact O-N 3.1Å; I496-Q500 PolarHBondContact O-N 2.93Å; I496-Q500 VanDerWaalsContact O-N 3.13Å; I496-L518 HydrophobicContact CD1-CD2 3.7Å; I496-F523 HydrophobicContact CG2-CD1 3.93Å; I496-F523 HydrophobicContact CG2-CE1 3.85Å
497	R	94.6	Very high	93.8	Very high	74 Å²	74	37.3 Å²	37.3	28%	0.279	19%	0.193	S	C	.	.	H	α-helix	trans	-57.8	-39.8	178.3	-71.4	175.4	173.3	154.7	1.1	112.1	I493 E494 V499 Q500 A501 E522 F523	I493-R497 PolarHBondContact O-N 2.69Å; I493-R497 VanDerWaalsContact O-N 3.13Å; E494-R497 PolarHBondContact O-N 3.22Å; E494-R497 WeakPolarHBondContact OE2-CD 3.27Å; E494-R497 IonicContact OE2-NH1 2.7Å; R497-V499 VanDerWaalsContact C-N 3.26Å; R497-V499 PolarHBondContact O-N 3.12Å; R497-Q500 PolarHBondContact O-N 3.41Å; R497-A501 VanDerWaalsContact O-CB 3.27Å; R497-A501 WeakPolarHBondContact O-CB 3.26Å; R497-A501 PolarHBondContact O-N 3.22Å; R497-E522 IonicContact CZ-OE1 4Å; R497-E522 IonicContact CZ-OE2 2.96Å; R497-E522 IonicContact NE-OE1 3.52Å; R497-E522 PolarHBondContact NE-OE1 3.28Å; R497-E522 IonicContact NE-OE2 2.63Å; R497-E522 IonicContact NH2-OE1 3.95Å; R497-E522 PolarHBondContact NH2-OE1 3.37Å; R497-E522 IonicContact NH2-OE2 3.76Å; R497-E522 PolarHBondContact NH2-OE2 3.12Å; R497-F523 HydrophobicContact CG-CE1 4.14Å; R497-F523 HydrophobicContact CG-CZ 4.41Å
498	S	94.1	Very high	93.8	Very high	46 Å²	46	35.8 Å²	35.8	32%	0.322	19%	0.185	S	C	.	.	H	α-helix	trans	-61.3	-33.7	178.4	82	0	0	0	0	113	E494 A495 I496 K502	E494-S498 WeakPolarHBondContact O-CB 3.46Å; E494-S498 PolarHBondContact O-N 3.25Å; A495-S498 PolarHBondContact O-OG 3.26Å; I496-S498 VanDerWaalsContact C-N 3.26Å; I496-S498 PolarHBondContact O-N 3.09Å; S498-K502 WeakPolarHBondContact O-CG 3.41Å
499	V	93.8	Very high	93.7	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.048	18%	0.182	C	C	.	.	H	α-helix	trans	-75.3	-46	177.3	175	0	0	0	0	110.6	A441 V442 A495 I496 R497 A501 K502 K504 C506	A441-V499 HydrophobicContact CB-CG1 3.64Å; A441-V499 HydrophobicContact CB-CG2 4.4Å; V442-V499 WeakPolarHBondContact O-CG2 3.48Å; A495-V499 PolarHBondContact O-N 3.2Å; I496-V499 PolarHBondContact O-N 2.9Å; I496-V499 VanDerWaalsContact O-N 3.1Å; R497-V499 VanDerWaalsContact C-N 3.26Å; R497-V499 PolarHBondContact O-N 3.12Å; V499-A501 VanDerWaalsContact C-N 3.29Å; V499-A501 PolarHBondContact O-N 2.85Å; V499-K502 WeakPolarHBondContact O-CB 3.48Å; V499-K502 PolarHBondContact O-N 3.33Å; V499-K502 VanDerWaalsContact O-N 3.1Å; V499-K504 HydrophobicContact CG1-CB 4.05Å; V499-K504 PolarHBondContact O-N 3.43Å; V499-C506 HydrophobicContact CB-CB 4Å; V499-C506 HydrophobicContact CG1-CB 3.64Å
500	Q	91.9	Very high	93.6	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-33.3	177.6	-69.2	-178.7	-52.2	0	0	112.2	P412 I496 R497 K502 N503 C506	P412-Q500 PolarHBondContact O-NE2 3.46Å; I496-Q500 PolarHBondContact O-N 2.93Å; I496-Q500 VanDerWaalsContact O-N 3.13Å; R497-Q500 PolarHBondContact O-N 3.41Å; Q500-K502 PolarHBondContact O-N 2.9Å; Q500-N503 WeakPolarHBondContact O-CA 3.09Å; Q500-N503 PolarHBondContact O-N 3.36Å; Q500-C506 HydrophobicContact CG-CB 4.48Å
501	A	92.7	Very high	93.5	Very high	70 Å²	70	38.8 Å²	38.8	58%	0.579	20%	0.2	S	C	*	.	H	α-helix	trans	-63.8	-26.8	174.2	0	0	0	0	0	112.8	R497 V499 N503	R497-A501 VanDerWaalsContact O-CB 3.27Å; R497-A501 WeakPolarHBondContact O-CB 3.26Å; R497-A501 PolarHBondContact O-N 3.22Å; V499-A501 VanDerWaalsContact C-N 3.29Å; V499-A501 PolarHBondContact O-N 2.85Å; A501-N503 PolarHBondContact O-N 3.14Å
502	K	92.6	Very high	93.3	Very high	151 Å²	151	39 Å²	39	66%	0.657	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	10.1	172.4	-65.1	170.5	-174.7	174	0	112.9	S498 V499 Q500 K504	S498-K502 WeakPolarHBondContact O-CG 3.41Å; V499-K502 WeakPolarHBondContact O-CB 3.48Å; V499-K502 PolarHBondContact O-N 3.33Å; V499-K502 VanDerWaalsContact O-N 3.1Å; Q500-K502 PolarHBondContact O-N 2.9Å; K502-K504 PolarHBondContact O-N 3.06Å
503	N	92.3	Very high	93.1	Very high	111 Å²	111	43 Å²	43	59%	0.594	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	34.5	-176.8	-159	38.5	0	0	0	113.8	P412 Q500 A501	P412-N503 WeakPolarHBondContact CD-OD1 3.42Å; Q500-N503 WeakPolarHBondContact O-CA 3.09Å; Q500-N503 PolarHBondContact O-N 3.36Å; A501-N503 PolarHBondContact O-N 3.14Å
504	K	93.1	Very high	93	Very high	62 Å²	62	41.2 Å²	41.2	27%	0.27	21%	0.211	S	C	.	.			trans	-107.9	147.6	174.3	-66	-169.1	-179.7	-170	0	110.6	P437 H438 R439 A441 V499 K502 C506	P437-K504 PolarHBondContact O-NZ 3.41Å; H438-K504 WeakPolarHBondContact O-CE 3.33Å; R439-K504 WeakPolarHBondContact O-CA 3.5Å; A441-K504 HydrophobicContact CB-CB 4.23Å; A441-K504 HydrophobicContact CB-CD 3.89Å; V499-K504 HydrophobicContact CG1-CB 4.05Å; V499-K504 PolarHBondContact O-N 3.43Å; K502-K504 PolarHBondContact O-N 3.06Å; K504-C506 PolarHBondContact O-N 2.96Å
505	M	93.9	Very high	92.8	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	116	172.5	-178.8	179.3	-65.7	0	0	109.1	P412 V415 R439 Y440 A441 L598 L601 E602	P412-M505 HydrophobicContact CB-CB 4.16Å; V415-M505 HydrophobicContact CG2-CG 3.9Å; V415-M505 HydrophobicContact CG2-SD 3.64Å; R439-M505 PolarHBondContact O-N 2.88Å; Y440-M505 HydrophobicContact CD1-CB 4.07Å; Y440-M505 HydrophobicContact CD1-SD 4.43Å; Y440-M505 HydrophobicContact CE1-CB 4.46Å; Y440-M505 HydrophobicContact CE1-SD 4.16Å; A441-M505 PolarHBondContact N-O 3.5Å; A441-M505 VanDerWaalsContact N-O 3.16Å; M505-L598 HydrophobicContact SD-CB 4.31Å; M505-L598 HydrophobicContact SD-CD2 3.75Å; M505-L601 HydrophobicContact CE-CB 4.13Å; M505-E602 HydrophobicContact CE-CG 3.67Å
506	C	95.7	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123	-179.9	-174.7	0	0	0	0	109.7	L414 V415 A441 V499 Q500 K504	L414-C506 HydrophobicContact CD1-CB 3.79Å; V415-C506 PolarHBondContact N-O 3.13Å; A441-C506 WeakPolarHBondContact O-CA 3.4Å; V499-C506 HydrophobicContact CB-CB 4Å; V499-C506 HydrophobicContact CG1-CB 3.64Å; Q500-C506 HydrophobicContact CG-CB 4.48Å; K504-C506 PolarHBondContact O-N 2.96Å
507	I	95.8	Very high	92.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.7	174.1	-51.3	175.5	0	0	0	107.9	V415 L417 K429 I433 Y440 A441 L598	V415-I507 HydrophobicContact CB-CG1 4.37Å; V415-I507 HydrophobicContact CG1-CG2 4.43Å; V415-I507 WeakPolarHBondContact O-CA 3.47Å; L417-I507 HydrophobicContact CD1-CG2 3.73Å; L417-I507 HydrophobicContact CG-CG2 4.02Å; K429-I507 HydrophobicContact CD-CG2 4.38Å; K429-I507 HydrophobicContact CG-CG2 3.95Å; I433-I507 HydrophobicContact CD1-CB 4.44Å; I433-I507 HydrophobicContact CD1-CD1 4.39Å; I433-I507 HydrophobicContact CG1-CD1 4.04Å; Y440-I507 HydrophobicContact CD1-CD1 4.33Å; Y440-I507 HydrophobicContact CG-CD1 4.09Å; A441-I507 PolarHBondContact O-N 3.02Å; I507-L598 HydrophobicContact CD1-CD1 3.69Å; I507-L598 HydrophobicContact CD1-CD2 4.36Å
508	V	94	Very high	92.4	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.6	-178.5	71.4	0	0	0	0	110.4	L414 V415 V416 L417 T491 V510	L414-V508 HydrophobicContact CD1-CG1 3.88Å; L414-V508 HydrophobicContact CD2-CG1 4.5Å; L414-V508 HydrophobicContact CG-CG1 4.39Å; V415-V508 PolarHBondContact O-N 3.26Å; V416-V508 WeakPolarHBondContact CA-O 3.35Å; V416-V508 HydrophobicContact CB-CG1 4.4Å; V416-V508 HydrophobicContact CG1-CG1 4.28Å; V416-V508 HydrophobicContact CG2-CG1 4.04Å; L417-V508 PolarHBondContact N-O 2.81Å; T491-V508 HydrophobicContact CG2-CG2 4.26Å; V508-V510 HydrophobicContact CG1-CG1 4.29Å; V508-V510 HydrophobicContact CG2-CG1 3.65Å
509	D	92	Very high	92.3	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.1	166.2	64.4	-60.9	0	0	0	109.2	L417 I425 N426 K429	L417-D509 HydrophobicContact CB-CB 4.41Å; L417-D509 WeakPolarHBondContact O-CA 3.36Å; I425-D509 HydrophobicContact CG2-CB 3.84Å; N426-D509 PolarHBondContact OD1-OD1 3.06Å; N426-D509 PolarHBondContact OD1-OD2 3.27Å; N426-D509 VanDerWaalsContact OD1-OD2 3.05Å; K429-D509 IonicContact NZ-OD1 3.74Å; K429-D509 PolarHBondContact NZ-OD1 3.24Å
510	V	91.1	Very high	92.3	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	23%	0.231	C	C	.	.			trans	-137.7	166.5	-177.9	-64	0	0	0	0	111.2	V416 L417 I479 E480 V508 A514 L518	V416-V510 HydrophobicContact CG1-CG2 3.48Å; V416-V510 VanDerWaalsContact CG1-CG2 3.48Å; L417-V510 PolarHBondContact O-N 3.21Å; I479-V510 HydrophobicContact CD1-CG1 3.74Å; E480-V510 HydrophobicContact CG-CG1 4.41Å; E480-V510 WeakPolarHBondContact OE2-CA 3.43Å; E480-V510 WeakPolarHBondContact OE2-CB 3.42Å; V508-V510 HydrophobicContact CG1-CG1 4.29Å; V508-V510 HydrophobicContact CG2-CG1 3.65Å; V510-A514 HydrophobicContact CB-CB 3.89Å; V510-A514 HydrophobicContact CG1-CB 4.4Å; V510-A514 HydrophobicContact CG2-CB 3.91Å; V510-L518 HydrophobicContact CG2-CD1 4.13Å
511	Q	90.2	Very high	92.2	Very high	87 Å²	87	48.5 Å²	48.5	41%	0.407	24%	0.243	S	C	.	.			trans	-69.4	146.3	165.4	-62	-169.7	-38.4	0	0	110.8	E480 E513 A514	E480-Q511 PolarHBondContact OE2-N 3.41Å; Q511-E513 WeakPolarHBondContact CB-OE2 3.4Å; Q511-E513 PolarHBondContact O-N 3.38Å; Q511-E513 VanDerWaalsContact O-N 3.08Å; Q511-A514 WeakPolarHBondContact O-CB 2.92Å; Q511-A514 PolarHBondContact O-N 3.22Å
512	P	90.3	Very high	92.1	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.084	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-55.6	-28.3	-178.3	-26.1	35.1	0	0	0	114.5	I418 A514 L515 I570 Y574	I418-P512 HydrophobicContact CB-CG 4.43Å; I418-P512 HydrophobicContact CG2-CG 4.45Å; P512-A514 PolarHBondContact O-N 2.98Å; P512-L515 VanDerWaalsContact O-CB 3.23Å; P512-L515 WeakPolarHBondContact O-CB 3.23Å; P512-L515 VanDerWaalsContact O-CG 3.27Å; P512-L515 WeakPolarHBondContact O-CG 3.47Å; P512-L515 PolarHBondContact O-N 2.85Å; P512-L515 VanDerWaalsContact O-N 3.09Å; P512-I570 HydrophobicContact CG-CG1 4.45Å; P512-I570 HydrophobicContact CG-CG2 4.21Å; P512-Y574 HydrophobicContact CB-CD1 3.87Å; P512-Y574 HydrophobicContact CB-CD2 3.3Å; P512-Y574 HydrophobicContact CB-CE1 4.03Å; P512-Y574 HydrophobicContact CB-CE2 3.47Å; P512-Y574 VanDerWaalsContact CB-CE2 3.47Å; P512-Y574 HydrophobicContact CB-CG 3.5Å; P512-Y574 VanDerWaalsContact CB-CG 3.5Å; P512-Y574 HydrophobicContact CG-CD2 3.98Å; P512-Y574 HydrophobicContact CG-CE2 4.18Å
513	E	90.1	Very high	92.1	Very high	93 Å²	93	42.1 Å²	42.1	44%	0.435	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.9	-32.4	177.1	-67.7	67.2	-150.7	0	0	112.3	Q511 L515 K516 Y574	Q511-E513 WeakPolarHBondContact CB-OE2 3.4Å; Q511-E513 PolarHBondContact O-N 3.38Å; Q511-E513 VanDerWaalsContact O-N 3.08Å; E513-L515 PolarHBondContact O-N 3.02Å; E513-K516 PolarHBondContact O-N 3.35Å; E513-Y574 WeakPolarHBondContact CG-OH 3.29Å; E513-Y574 PolarHBondContact OE1-OH 3.01Å
514	A	91.7	Very high	92.2	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-67	-19.1	179.4	0	0	0	0	0	112.7	V510 Q511 P512 K516 R517 L518	V510-A514 HydrophobicContact CB-CB 3.89Å; V510-A514 HydrophobicContact CG1-CB 4.4Å; V510-A514 HydrophobicContact CG2-CB 3.91Å; Q511-A514 WeakPolarHBondContact O-CB 2.92Å; Q511-A514 PolarHBondContact O-N 3.22Å; P512-A514 PolarHBondContact O-N 2.98Å; A514-K516 PolarHBondContact O-N 2.85Å; A514-R517 PolarHBondContact O-N 2.77Å; A514-L518 PolarHBondContact O-N 3.27Å; A514-L518 VanDerWaalsContact O-N 3.17Å
515	L	91.6	Very high	92.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-30.7	178.7	-67.3	174.7	0	0	0	112.4	V416 I418 P512 E513 R517 L518 R519 V527 L577	V416-L515 HydrophobicContact CB-CD2 4.34Å; V416-L515 HydrophobicContact CG1-CD2 3.78Å; I418-L515 HydrophobicContact CD1-CD1 4.4Å; I418-L515 HydrophobicContact CG2-CD1 4.36Å; P512-L515 VanDerWaalsContact O-CB 3.23Å; P512-L515 WeakPolarHBondContact O-CB 3.23Å; P512-L515 VanDerWaalsContact O-CG 3.27Å; P512-L515 WeakPolarHBondContact O-CG 3.47Å; P512-L515 PolarHBondContact O-N 2.85Å; P512-L515 VanDerWaalsContact O-N 3.09Å; E513-L515 PolarHBondContact O-N 3.02Å; L515-R517 PolarHBondContact O-N 3.06Å; L515-L518 PolarHBondContact O-N 3.14Å; L515-R519 WeakPolarHBondContact O-CB 3.4Å; L515-R519 PolarHBondContact O-N 3.17Å; L515-V527 HydrophobicContact CD1-CG1 4.1Å; L515-V527 HydrophobicContact CD2-CG1 3.99Å; L515-V527 HydrophobicContact CD2-CG2 3.66Å; L515-L577 HydrophobicContact CB-CD1 4.02Å; L515-L577 HydrophobicContact CD1-CB 4.11Å; L515-L577 HydrophobicContact CD1-CD1 3.99Å
516	K	89.1	Confident	92.4	Very high	170 Å²	170	36.6 Å²	36.6	74%	0.739	17%	0.173	S	C	*	.	H	α-helix	trans	-58.6	-34.4	176.3	-65.1	-177.7	-179.8	-178.5	0	112.7	E513 A514	E513-K516 PolarHBondContact O-N 3.35Å; A514-K516 PolarHBondContact O-N 2.85Å
517	R	90.9	Very high	92.4	Very high	103 Å²	103	36.6 Å²	36.6	39%	0.389	17%	0.174	S	C	.	.	H	α-helix	trans	-87.7	-28.9	178.1	-70.3	-166.8	-86.1	-151	-4	113	F478 I479 A514 L515	F478-R517 PolarHBondContact O-NH1 2.82Å; F478-R517 PolarHBondContact O-NH2 2.82Å; F478-R517 VanDerWaalsContact O-NH2 3.12Å; I479-R517 VanDerWaalsContact O-CZ 3.28Å; I479-R517 PolarHBondContact O-NE 3.45Å; I479-R517 PolarHBondContact O-NH2 3.22Å; A514-R517 PolarHBondContact O-N 2.77Å; L515-R517 PolarHBondContact O-N 3.06Å
518	L	93.3	Very high	92.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-86.3	-23.2	-176.7	-64.9	177.5	0	0	0	113.5	L414 V416 I479 I496 V510 A514 L515 T520 F523 P525	L414-L518 HydrophobicContact CD2-CB 4.3Å; L414-L518 HydrophobicContact CD2-CD1 4.18Å; L414-L518 HydrophobicContact CD2-CD2 3.8Å; L414-L518 HydrophobicContact CD2-CG 4.31Å; V416-L518 HydrophobicContact CG1-CD1 4.27Å; V416-L518 HydrophobicContact CG2-CD1 3.99Å; I479-L518 HydrophobicContact CD1-CD1 4.17Å; I479-L518 HydrophobicContact CD1-CD2 4.1Å; I479-L518 HydrophobicContact CD1-CG 4.47Å; I479-L518 HydrophobicContact CG2-CD2 4.03Å; I496-L518 HydrophobicContact CD1-CD2 3.7Å; V510-L518 HydrophobicContact CG2-CD1 4.13Å; A514-L518 PolarHBondContact O-N 3.27Å; A514-L518 VanDerWaalsContact O-N 3.17Å; L515-L518 PolarHBondContact O-N 3.14Å; L518-T520 PolarHBondContact O-N 2.97Å; L518-F523 HydrophobicContact CD2-CD2 4.48Å; L518-P525 VanDerWaalsContact O-CD 3.27Å; L518-P525 WeakPolarHBondContact O-CD 3.42Å; L518-P525 VanDerWaalsContact O-CG 3.3Å; L518-P525 WeakPolarHBondContact O-CG 3.42Å
519	R	92.6	Very high	92.6	Very high	47 Å²	47	36.4 Å²	36.4	18%	0.177	17%	0.172	C	C	.	.			trans	-77.4	61	-176	-163.7	-176.7	176.2	85.1	-3.9	112.6	E399 L515 W612	E399-R519 IonicContact OE1-CZ 3.81Å; E399-R519 IonicContact OE1-NE 2.62Å; E399-R519 IonicContact OE1-NH2 3.11Å; E399-R519 PolarHBondContact OE1-NH2 3.22Å; E399-R519 IonicContact OE2-NH2 3.48Å; E399-R519 PolarHBondContact OE2-NH2 2.83Å; L515-R519 WeakPolarHBondContact O-CB 3.4Å; L515-R519 PolarHBondContact O-N 3.17Å; R519-W612 HydrophobicContact CG-CZ2 3.58Å
520	T	92.7	Very high	92.7	Very high	50 Å²	50	35.7 Å²	35.7	31%	0.307	17%	0.169	S	C	.	.	S	Bend	trans	-123	161.9	-178.5	68.8	0	0	0	0	111.6	L518 E522 F523 K524	L518-T520 PolarHBondContact O-N 2.97Å; T520-E522 PolarHBondContact O-N 3.25Å; T520-F523 PolarHBondContact O-N 3.15Å; T520-F523 VanDerWaalsContact OG1-CD2 3.3Å; T520-F523 WeakPolarHBondContact OG1-CD2 3.11Å; T520-K524 PolarHBondContact O-N 3.3Å
521	G	90.9	Very high	92.8	Very high	24 Å²	24	38.7 Å²	38.7	25%	0.247	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.5	174.6	0	0	0	0	0	114.1	K524	G521-K524 VanDerWaalsContact O-CG 3.3Å; G521-K524 WeakPolarHBondContact O-CG 3.24Å; G521-K524 PolarHBondContact O-NZ 3.19Å
522	E	90.9	Very high	92.8	Very high	85 Å²	85	35.3 Å²	35.3	40%	0.397	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-51	174.2	-176.4	-175.5	172.2	0	0	111	R497 T520	R497-E522 IonicContact CZ-OE1 4Å; R497-E522 IonicContact CZ-OE2 2.96Å; R497-E522 IonicContact NE-OE1 3.52Å; R497-E522 PolarHBondContact NE-OE1 3.28Å; R497-E522 IonicContact NE-OE2 2.63Å; R497-E522 IonicContact NH2-OE1 3.95Å; R497-E522 PolarHBondContact NH2-OE1 3.37Å; R497-E522 IonicContact NH2-OE2 3.76Å; R497-E522 PolarHBondContact NH2-OE2 3.12Å; T520-E522 PolarHBondContact O-N 3.25Å
523	F	92.7	Very high	92.7	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-26.8	-172.7	-59.2	-61.4	0	0	0	113.6	L414 I493 I496 R497 L518 T520 P525	L414-F523 HydrophobicContact CB-CB 3.98Å; L414-F523 HydrophobicContact CD2-CB 3.95Å; L414-F523 HydrophobicContact CD2-CD1 4.47Å; L414-F523 HydrophobicContact CD2-CG 4.21Å; L414-F523 PolarHBondContact N-O 3.11Å; I493-F523 HydrophobicContact CD1-CE2 3.87Å; I493-F523 HydrophobicContact CD1-CZ 3.8Å; I493-F523 HydrophobicContact CG1-CE2 4.08Å; I493-F523 HydrophobicContact CG1-CZ 3.59Å; I496-F523 HydrophobicContact CG2-CD1 3.93Å; I496-F523 HydrophobicContact CG2-CE1 3.85Å; R497-F523 HydrophobicContact CG-CE1 4.14Å; R497-F523 HydrophobicContact CG-CZ 4.41Å; L518-F523 HydrophobicContact CD2-CD2 4.48Å; T520-F523 PolarHBondContact O-N 3.15Å; T520-F523 VanDerWaalsContact OG1-CD2 3.3Å; T520-F523 WeakPolarHBondContact OG1-CD2 3.11Å; F523-P525 VanDerWaalsContact C-N 3.31Å
524	K	93.7	Very high	92.4	Very high	38 Å²	38	37.4 Å²	37.4	17%	0.165	17%	0.17	C	C	.	.			trans	41.6	54.8	-173.8	-57.9	-174.8	174.2	67.5	0	111.8	Y404 R413 T520 G521 W612	Y404-K524 HydrophobicContact CD2-CD 4.34Å; Y404-K524 HydrophobicContact CE1-CD 4.44Å; Y404-K524 HydrophobicContact CE2-CD 3.99Å; R413-K524 HydrophobicContact CG-CB 4.35Å; R413-K524 PolarHBondContact NE-O 3.13Å; R413-K524 PolarHBondContact NH2-O 2.97Å; R413-K524 VanDerWaalsContact NH2-O 3.15Å; T520-K524 PolarHBondContact O-N 3.3Å; G521-K524 VanDerWaalsContact O-CG 3.3Å; G521-K524 WeakPolarHBondContact O-CG 3.24Å; G521-K524 PolarHBondContact O-NZ 3.19Å; K524-W612 HydrophobicContact CB-CE3 3.67Å; K524-W612 HydrophobicContact CB-CZ3 3.8Å; K524-W612 HydrophobicContact CG-CD2 4.41Å; K524-W612 HydrophobicContact CG-CE3 3.73Å; K524-W612 HydrophobicContact CG-CZ3 4.38Å
525	P	95.6	Very high	91.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.013	19%	0.192	C	C	.	.			trans	-60.1	148.6	-166.6	27.8	-37.2	0	0	0	111.8	R413 L414 V416 L518 F523 V527 W612	R413-P525 PolarHBondContact NH2-O 2.79Å; R413-P525 VanDerWaalsContact NH2-O 3.17Å; L414-P525 HydrophobicContact CB-CB 4.44Å; L414-P525 HydrophobicContact CD2-CB 4.41Å; L414-P525 CarbonylContact O-C 3.53Å; L414-P525 VanDerWaalsContact O-CA 3.25Å; L414-P525 WeakPolarHBondContact O-CA 3.2Å; V416-P525 HydrophobicContact CG2-CB 3.77Å; L518-P525 VanDerWaalsContact O-CD 3.27Å; L518-P525 WeakPolarHBondContact O-CD 3.42Å; L518-P525 VanDerWaalsContact O-CG 3.3Å; L518-P525 WeakPolarHBondContact O-CG 3.42Å; F523-P525 VanDerWaalsContact C-N 3.31Å; P525-V527 HydrophobicContact CB-CG2 4.47Å; P525-W612 HydrophobicContact CG-CH2 4.11Å; P525-W612 HydrophobicContact CG-CZ2 4.42Å
526	Y	95.9	Very high	90.4	Very high	22 Å²	22	48.2 Å²	48.2	9%	0.086	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.4	166.2	-168.2	-96.1	0	0	0	108.7	L414 V416 I528 D579 R580 I597 L601 F606	L414-Y526 PolarHBondContact O-N 3.43Å; V416-Y526 PolarHBondContact N-O 2.97Å; Y526-I528 HydrophobicContact CD1-CD1 4.13Å; Y526-I528 HydrophobicContact CD1-CG1 3.78Å; Y526-I528 HydrophobicContact CE1-CD1 4.23Å; Y526-I528 HydrophobicContact CE1-CG1 3.86Å; Y526-D579 WeakPolarHBondContact CA-OD2 3.42Å; Y526-D579 HydrophobicContact CD1-CB 4.47Å; Y526-D579 HydrophobicContact CD2-CB 3.77Å; Y526-D579 HydrophobicContact CE1-CB 4.19Å; Y526-D579 HydrophobicContact CE2-CB 3.45Å; Y526-D579 VanDerWaalsContact CE2-CB 3.45Å; Y526-D579 HydrophobicContact CG-CB 4.3Å; Y526-R580 HydrophobicContact CE1-CB 4.15Å; Y526-I597 HydrophobicContact CD1-CG2 4.16Å; Y526-I597 HydrophobicContact CE1-CG2 3.49Å; Y526-I597 VanDerWaalsContact CE1-CG2 3.49Å; Y526-L601 HydrophobicContact CD1-CD1 3.72Å; Y526-L601 HydrophobicContact CD1-CD2 3.98Å; Y526-L601 HydrophobicContact CD1-CG 4.31Å; Y526-L601 HydrophobicContact CD2-CD2 3.4Å; Y526-L601 VanDerWaalsContact CD2-CD2 3.4Å; Y526-L601 HydrophobicContact CE1-CD1 4.35Å; Y526-L601 HydrophobicContact CE1-CD2 4.35Å; Y526-L601 HydrophobicContact CE2-CD2 3.81Å; Y526-L601 HydrophobicContact CG-CD1 3.84Å; Y526-L601 HydrophobicContact CG-CD2 3.46Å; Y526-L601 VanDerWaalsContact CG-CD2 3.46Å; Y526-L601 HydrophobicContact CG-CG 4.23Å; Y526-F606 HydrophobicContact CD2-CD1 4.38Å; Y526-F606 AromaticContact CE2-CD1 3.74Å; Y526-F606 HydrophobicContact CE2-CD1 3.74Å; Y526-F606 AromaticContact CE2-CE1 3.83Å; Y526-F606 HydrophobicContact CE2-CE1 3.83Å
527	V	96.2	Very high	89	Confident	1 Å²	1	45 Å²	45	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.9	-168.8	-174.6	0	0	0	0	110.1	V416 I418 L515 P525 L577 V578 D579 R580	V416-V527 HydrophobicContact CB-CG2 4.4Å; V416-V527 WeakPolarHBondContact O-CA 3.46Å; I418-V527 HydrophobicContact CD1-CG1 4.14Å; I418-V527 HydrophobicContact CG1-CG1 4.2Å; L515-V527 HydrophobicContact CD1-CG1 4.1Å; L515-V527 HydrophobicContact CD2-CG1 3.99Å; L515-V527 HydrophobicContact CD2-CG2 3.66Å; P525-V527 HydrophobicContact CB-CG2 4.47Å; V527-L577 WeakPolarHBondContact CB-O 3.38Å; V527-V578 HydrophobicContact CG1-CG2 4.3Å; V527-D579 PolarHBondContact N-OD2 3.47Å; V527-D579 PolarHBondContact O-N 2.73Å; V527-R580 PolarHBondContact O-N 2.96Å
528	I	96.8	Very high	87.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.6	178.6	-52.5	175.2	0	0	0	108.7	V415 V416 L417 I418 Y526 V530 R580 L582 L594 I597	V415-I528 HydrophobicContact CG1-CD1 3.94Å; V416-I528 PolarHBondContact O-N 2.96Å; L417-I528 HydrophobicContact CD2-CB 3.77Å; L417-I528 HydrophobicContact CD2-CD1 3.93Å; L417-I528 HydrophobicContact CD2-CG1 4.25Å; L417-I528 HydrophobicContact CD2-CG2 4.36Å; I418-I528 PolarHBondContact N-O 3.05Å; Y526-I528 HydrophobicContact CD1-CD1 4.13Å; Y526-I528 HydrophobicContact CD1-CG1 3.78Å; Y526-I528 HydrophobicContact CE1-CD1 4.23Å; Y526-I528 HydrophobicContact CE1-CG1 3.86Å; I528-V530 HydrophobicContact CG2-CG2 4.29Å; I528-R580 CarbonylContact C-O 3.59Å; I528-R580 VanDerWaalsContact CA-O 3.32Å; I528-R580 WeakPolarHBondContact CA-O 2.96Å; I528-L582 HydrophobicContact CG2-CB 3.94Å; I528-L594 HydrophobicContact CD1-CD1 3.58Å; I528-I597 HydrophobicContact CD1-CD1 4.38Å; I528-I597 HydrophobicContact CD1-CG2 3.78Å
529	F	96.3	Very high	84.9	Confident	1 Å²	1	60.8 Å²	60.8	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	109.6	172.9	177.4	-141.6	0	0	0	110.9	I418 K531 A567 I570 D571 V578 R580 V581 L582	I418-F529 HydrophobicContact CD1-CB 4.21Å; I418-F529 HydrophobicContact CD1-CD2 4.26Å; I418-F529 HydrophobicContact CD1-CG 4.49Å; I418-F529 HydrophobicContact CG1-CB 3.98Å; I418-F529 HydrophobicContact CG1-CD2 3.98Å; I418-F529 HydrophobicContact CG1-CG 4.39Å; I418-F529 WeakPolarHBondContact O-CA 3.28Å; F529-K531 HydrophobicContact CE1-CB 4.42Å; F529-K531 HydrophobicContact CE1-CD 4.1Å; F529-K531 HydrophobicContact CZ-CB 4.18Å; F529-A567 HydrophobicContact CZ-CB 4.4Å; F529-I570 HydrophobicContact CD2-CG2 4Å; F529-I570 HydrophobicContact CE2-CB 4.04Å; F529-I570 HydrophobicContact CE2-CD1 4.25Å; F529-I570 HydrophobicContact CE2-CG2 3.58Å; F529-I570 HydrophobicContact CZ-CB 4.06Å; F529-I570 HydrophobicContact CZ-CG2 3.95Å; F529-D571 HydrophobicContact CE1-CB 4.16Å; F529-V578 HydrophobicContact CB-CB 4.45Å; F529-V578 HydrophobicContact CB-CG1 3.64Å; F529-V578 HydrophobicContact CB-CG2 3.89Å; F529-R580 PolarHBondContact N-O 2.84Å; F529-V581 HydrophobicContact CB-CG2 4.44Å; F529-V581 HydrophobicContact CD1-CG1 4.09Å; F529-V581 HydrophobicContact CD1-CG2 4.19Å; F529-V581 CarbonylContact O-C 3.57Å; F529-V581 WeakPolarHBondContact O-CA 3.47Å; F529-L582 PolarHBondContact O-N 3.06Å
530	V	95.3	Very high	82.8	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.7	178.1	-172	0	0	0	0	109.6	I418 G419 S420 A423 I425 L428 I528 L582 K584	I418-V530 PolarHBondContact O-N 3.46Å; G419-V530 CarbonylContact C-O 3.57Å; G419-V530 WeakPolarHBondContact CA-O 3.45Å; S420-V530 PolarHBondContact N-O 2.79Å; A423-V530 HydrophobicContact CB-CB 4.34Å; A423-V530 HydrophobicContact CB-CG1 4.03Å; A423-V530 WeakPolarHBondContact CB-O 3.49Å; I425-V530 HydrophobicContact CD1-CB 4.33Å; I425-V530 HydrophobicContact CD1-CG2 4.5Å; I425-V530 HydrophobicContact CG1-CB 4.15Å; I425-V530 HydrophobicContact CG1-CG2 4.41Å; L428-V530 HydrophobicContact CD2-CG1 4.31Å; L428-V530 HydrophobicContact CD2-CG2 4.39Å; I528-V530 HydrophobicContact CG2-CG2 4.29Å; V530-L582 WeakPolarHBondContact CA-O 3.05Å; V530-L582 HydrophobicContact CG1-CD2 4.12Å; V530-L582 HydrophobicContact CG2-CB 4.41Å; V530-K584 HydrophobicContact CG1-CB 4.43Å
531	K	92.9	Very high	80.4	Confident	68 Å²	68	79.1 Å²	79.1	30%	0.296	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141	172.6	66.2	-177	-176.9	-177.3	0	110.7	F529 A567 V581 L582 I583 K584	F529-K531 HydrophobicContact CE1-CB 4.42Å; F529-K531 HydrophobicContact CE1-CD 4.1Å; F529-K531 HydrophobicContact CZ-CB 4.18Å; K531-A567 HydrophobicContact CB-CB 4.46Å; K531-V581 HydrophobicContact CD-CG1 4.08Å; K531-V581 HydrophobicContact CG-CG1 4.24Å; K531-L582 PolarHBondContact N-O 3.39Å; K531-I583 HydrophobicContact CG-CG1 4.3Å; K531-I583 CarbonylContact O-C 3.58Å; K531-I583 WeakPolarHBondContact O-CA 3.47Å; K531-K584 PolarHBondContact O-N 2.73Å
532	P	89.4	Confident	78.2	Confident	17 Å²	17	83 Å²	83	11%	0.11	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	152.1	175.3	28	-27.1	0	0	0	110.2	S420 L421 I534 M563	S420-P532 WeakPolarHBondContact OG-CD 3.37Å; L421-P532 WeakPolarHBondContact O-CG 3.47Å; P532-I534 HydrophobicContact CG-CG1 4.34Å; P532-I534 PolarHBondContact O-N 2.85Å; P532-I534 VanDerWaalsContact O-N 3.16Å; P532-M563 HydrophobicContact CB-CE 3.87Å; P532-M563 HydrophobicContact CG-CE 3.33Å
533	R	88.7	Confident	75.9	Confident	129 Å²	129	83.7 Å²	83.7	49%	0.487	39%	0.393	S	S	.	.			trans	-68.9	110.4	166.7	-177.5	69.3	179	95.2	-6.4	108.7	P535 I583 K584 E585	R533-P535 WeakPolarHBondContact O-CD 3.41Å; R533-I583 HydrophobicContact CB-CG2 4.15Å; R533-K584 PolarHBondContact N-O 2.95Å; R533-E585 HydrophobicContact CB-CB 4.5Å; R533-E585 HydrophobicContact CB-CG 3.94Å; R533-E585 HydrophobicContact CG-CG 4.15Å
534	I	82.4	Confident	73.4	Confident	21 Å²	21	87.9 Å²	87.9	11%	0.108	43%	0.428	C	S	.	.			trans	-95.7	116.2	176.7	-55.7	174.3	0	0	0	107.9	P532 M563 R564	P532-I534 HydrophobicContact CG-CG1 4.34Å; P532-I534 PolarHBondContact O-N 2.85Å; P532-I534 VanDerWaalsContact O-N 3.16Å; I534-M563 VanDerWaalsContact CD1-C 3.49Å; I534-M563 HydrophobicContact CD1-CB 3.85Å; I534-M563 HydrophobicContact CG1-CB 4.48Å; I534-R564 HydrophobicContact CD1-CB 3.81Å; I534-R564 HydrophobicContact CD1-CG 4.5Å; I534-R564 VanDerWaalsContact CD1-N 3.32Å
535	P	77.1	Confident	71.1	Confident	74 Å²	74	92.4 Å²	92.4	48%	0.481	46%	0.459	S	S	.	.			trans	-59.4	140.8	174.1	-21.5	33.4	0	0	0	110.8	R533 R564	R533-P535 WeakPolarHBondContact O-CD 3.41Å; P535-R564 PolarHBondContact O-NH2 2.74Å
536	E	65.9	Low	68.5	Low	158 Å²	158	97.2 Å²	97.2	74%	0.738	49%	0.492	S	S	*	.	S	Bend	trans	-72.8	-32.5	-175.1	-75.1	-175.2	155.9	0	0	113	R564	E536-R564 PolarHBondContact O-NH2 3.14Å
537	S	58.6	Low	66.2	Low	103 Å²	103	102.9 Å²	102.9	72%	0.72	53%	0.532	S	S	*	.			trans	-180	149.3	163.5	-81.1	0	0	0	0	107	R539	S537-R539 PolarHBondContact O-N 2.8Å
538	R	53.9	Low	63.8	Low	199 Å²	199	106.4 Å²	106.4	75%	0.751	57%	0.569	S	S	*	*			trans	-57.7	105.3	167	-106.4	175.7	175.4	-177.7	-2.8	107.4	R540 R554	R538-R540 PolarHBondContact O-N 3.47Å; R538-R554 VanDerWaalsContact NH2-NH2 3.11Å
539	R	45.3	Very low	61	Low	235 Å²	235	110.2 Å²	110.2	89%	0.887	61%	0.608	S	S	*	*			trans	-50.3	119.8	156.8	-79.6	-170.5	179.9	-168.9	0.5	105.2	S537 R541	S537-R539 PolarHBondContact O-N 2.8Å; R539-R541 VanDerWaalsContact C-N 3.26Å; R539-R541 PolarHBondContact O-N 3.5Å
540	R	46.9	Very low	58.2	Low	240 Å²	240	113.9 Å²	113.9	91%	0.906	65%	0.646	S	S	*	*			trans	-49.9	95.7	173	-72.7	-177.2	176.2	-174.6	-0.8	107.5	R538 S542	R538-R540 PolarHBondContact O-N 3.47Å; R540-S542 VanDerWaalsContact C-N 3.3Å; R540-S542 PolarHBondContact O-N 3.06Å
541	R	43.4	Very low	55.7	Low	242 Å²	242	123 Å²	123	91%	0.913	69%	0.688	S	S	*	*			trans	-80.7	95.1	157.4	-82.4	-167.5	-75.3	174.4	-4.5	104.6	R539	R539-R541 VanDerWaalsContact C-N 3.26Å; R539-R541 PolarHBondContact O-N 3.5Å
542	S	44.2	Very low	53.4	Low	105 Å²	105	129.1 Å²	129.1	73%	0.734	72%	0.718	S	S	*	*			trans	-52.2	136.1	168.9	-40.4	0	0	0	0	109.9	R540	R540-S542 VanDerWaalsContact C-N 3.3Å; R540-S542 PolarHBondContact O-N 3.06Å
543	A	43.3	Very low	51.5	Low	100 Å²	100	132 Å²	132	83%	0.826	75%	0.751	S	S	*	*			trans	61.6	107.2	155.4	0	0	0	0	0	118.7
544	A	40.7	Very low	50.3	Low	91 Å²	91	135.5 Å²	135.5	75%	0.752	76%	0.764	S	S	*	*				174.7	111.7	113.2	0	0	0	0	0	111.2
545	T	43.8	Very low	49.7	Very low	132 Å²	132	139.5 Å²	139.5	81%	0.81	79%	0.785	S	S	*	*			trans	56.5	102	136.1	-14.3	0	0	0	0	120
546	S	41.1	Very low	50	Low	103 Å²	103	139 Å²	139	72%	0.72	78%	0.78	S	S	*	*				165.8	120.7	119.7	-71.7	0	0	0	0	111.2	G548	S546-G548 PolarHBondContact O-N 3.47Å
547	P	48.9	Very low	50.9	Low	141 Å²	141	137.6 Å²	137.6	92%	0.916	78%	0.778	S	S	*	*			trans	-89.2	98	167.2	32.6	-23.9	0	0	0	108.6
548	G	44.8	Very low	52.2	Low	76 Å²	76	138.8 Å²	138.8	78%	0.784	77%	0.772	S	S	*	*			trans	168.7	94.9	176.3	0	0	0	0	0	112.3	S546	S546-G548 PolarHBondContact O-N 3.47Å
549	G	38.5	Very low	53.7	Low	80 Å²	80	132.3 Å²	132.3	83%	0.825	75%	0.753	S	S	*	*	S	Bend	trans	152.3	91.4	167.5	0	0	0	0	0	115
550	G	36.9	Very low	55.6	Low	77 Å²	77	122.9 Å²	122.9	79%	0.794	72%	0.719	S	S	*	*			trans	71	92.1	147.3	0	0	0	0	0	118.5	H552	G550-H552 VanDerWaalsContact C-N 3.26Å; G550-H552 PolarHBondContact O-N 2.9Å
551	E	43	Very low	57.6	Low	191 Å²	191	115.3 Å²	115.3	89%	0.893	69%	0.694	S	S	*	*	S	Bend	trans	-70.8	65.9	163.4	-71.6	-174.5	131.7	0	0	112.7
552	H	43.9	Very low	59.8	Low	198 Å²	198	109 Å²	109	92%	0.917	68%	0.675	S	S	*	*	S	Bend	trans	-151.1	99	162.3	-77.6	-49	0	0	0	110.7	G550	G550-H552 VanDerWaalsContact C-N 3.26Å; G550-H552 PolarHBondContact O-N 2.9Å
553	G	51.1	Low	61.9	Low	78 Å²	78	105 Å²	105	80%	0.804	65%	0.645	S	S	*	*			trans	133.1	6.5	161.7	0	0	0	0	0	118.4
554	R	61.7	Low	64.1	Low	202 Å²	202	104.6 Å²	104.6	76%	0.762	62%	0.622	S	S	*	*			trans	-84	115.9	168.6	-87.5	-178.5	164.8	170	0.2	109.4	R538	R538-R554 VanDerWaalsContact NH2-NH2 3.11Å
555	L	71.8	Confident	66.6	Low	105 Å²	105	105.5 Å²	105.5	55%	0.55	61%	0.611	S	S	.	*			trans	-54.9	133.9	168.2	-65.3	167.4	0	0	0	109	D559 L560	L555-D559 HydrophobicContact CD2-CB 4.46Å; L555-L560 HydrophobicContact CB-CD2 4.45Å; L555-L560 HydrophobicContact CD1-CD2 4.27Å
556	T	83.1	Confident	68.9	Low	63 Å²	63	100.1 Å²	100.1	39%	0.387	58%	0.579	S	S	.	*			trans	-77.9	166.3	177.1	73.2	0	0	0	0	111	E558 D559 L560	T556-E558 WeakPolarHBondContact CB-OE2 3.48Å; T556-E558 PolarHBondContact O-N 3.29Å; T556-E558 PolarHBondContact OG1-N 3.34Å; T556-E558 PolarHBondContact OG1-OE2 2.93Å; T556-D559 PolarHBondContact N-OD2 2.94Å; T556-D559 VanDerWaalsContact N-OD2 3.1Å; T556-D559 PolarHBondContact O-N 2.89Å; T556-D559 PolarHBondContact OG1-N 2.98Å; T556-D559 VanDerWaalsContact OG1-N 3.16Å; T556-D559 PolarHBondContact OG1-OD2 3.18Å; T556-L560 WeakPolarHBondContact O-CG 3.41Å; T556-L560 PolarHBondContact O-N 3.35Å; T556-L560 VanDerWaalsContact O-N 3.13Å
557	D	83.9	Confident	71.3	Confident	129 Å²	129	95.8 Å²	95.8	69%	0.69	55%	0.549	S	S	*	.	H	α-helix	trans	-67.2	-30	176.3	-74	-26	0	0	0	111	L560 Q561	D557-L560 PolarHBondContact O-N 3.01Å; D557-Q561 WeakPolarHBondContact O-CB 3.46Å; D557-Q561 PolarHBondContact O-N 3.03Å
558	E	85.6	Confident	73.4	Confident	127 Å²	127	92.4 Å²	92.4	59%	0.593	53%	0.526	S	S	*	.	H	α-helix	trans	-64	-46.4	171.7	-60.7	73.5	-158.3	0	0	111.4	T556 L560 Q561 E562	T556-E558 WeakPolarHBondContact CB-OE2 3.48Å; T556-E558 PolarHBondContact O-N 3.29Å; T556-E558 PolarHBondContact OG1-N 3.34Å; T556-E558 PolarHBondContact OG1-OE2 2.93Å; E558-L560 VanDerWaalsContact C-N 3.28Å; E558-L560 PolarHBondContact O-N 3.38Å; E558-Q561 PolarHBondContact O-N 3.25Å; E558-Q561 VanDerWaalsContact O-N 3.11Å; E558-E562 PolarHBondContact O-N 3.45Å
559	D	85.6	Confident	75.7	Confident	64 Å²	64	94.6 Å²	94.6	34%	0.342	52%	0.515	S	S	.	.	H	α-helix	trans	-58	-43.2	176	-68.6	-34.5	0	0	0	111	L555 T556 Q561 E562 M563	L555-D559 HydrophobicContact CD2-CB 4.46Å; T556-D559 PolarHBondContact N-OD2 2.94Å; T556-D559 VanDerWaalsContact N-OD2 3.1Å; T556-D559 PolarHBondContact O-N 2.89Å; T556-D559 PolarHBondContact OG1-N 2.98Å; T556-D559 VanDerWaalsContact OG1-N 3.16Å; T556-D559 PolarHBondContact OG1-OD2 3.18Å; D559-Q561 VanDerWaalsContact C-N 3.32Å; D559-Q561 PolarHBondContact O-N 3.23Å; D559-E562 PolarHBondContact O-N 2.86Å; D559-M563 WeakPolarHBondContact O-CB 3.44Å; D559-M563 WeakPolarHBondContact O-CG 3.28Å; D559-M563 PolarHBondContact O-N 2.64Å
560	L	86.5	Confident	78.3	Confident	36 Å²	36	91.8 Å²	91.8	19%	0.188	48%	0.481	C	S	.	.	H	α-helix	trans	-65	-37	178.1	-68.4	176.3	0	0	0	112	L555 T556 D557 E558 M563 R564	L555-L560 HydrophobicContact CB-CD2 4.45Å; L555-L560 HydrophobicContact CD1-CD2 4.27Å; T556-L560 WeakPolarHBondContact O-CG 3.41Å; T556-L560 PolarHBondContact O-N 3.35Å; T556-L560 VanDerWaalsContact O-N 3.13Å; D557-L560 PolarHBondContact O-N 3.01Å; E558-L560 VanDerWaalsContact C-N 3.28Å; E558-L560 PolarHBondContact O-N 3.38Å; L560-M563 HydrophobicContact CD2-SD 4.46Å; L560-R564 WeakPolarHBondContact O-CB 3.35Å; L560-R564 PolarHBondContact O-N 2.96Å
561	Q	88.4	Confident	80.8	Confident	81 Å²	81	90.8 Å²	90.8	38%	0.379	46%	0.458	S	S	.	.	H	α-helix	trans	-70	-42.5	176.6	-176.1	61.8	12.3	0	0	111.7	D557 E558 D559 M563 R564 Q565	D557-Q561 WeakPolarHBondContact O-CB 3.46Å; D557-Q561 PolarHBondContact O-N 3.03Å; E558-Q561 PolarHBondContact O-N 3.25Å; E558-Q561 VanDerWaalsContact O-N 3.11Å; D559-Q561 VanDerWaalsContact C-N 3.32Å; D559-Q561 PolarHBondContact O-N 3.23Å; Q561-M563 VanDerWaalsContact C-N 3.33Å; Q561-M563 PolarHBondContact O-N 3.02Å; Q561-R564 WeakPolarHBondContact O-CB 3.24Å; Q561-R564 PolarHBondContact O-N 3.46Å; Q561-R564 VanDerWaalsContact O-N 3.16Å; Q561-Q565 WeakPolarHBondContact O-CG 3.25Å; Q561-Q565 PolarHBondContact O-N 3.47Å
562	E	88.6	Confident	83.1	Confident	110 Å²	110	88.5 Å²	88.5	51%	0.514	45%	0.447	S	S	.	.	H	α-helix	trans	-60.9	-42.4	173.4	-73.3	-171.3	-179.4	0	0	111.6	E558 D559 R564 Q565 S566	E558-E562 PolarHBondContact O-N 3.45Å; D559-E562 PolarHBondContact O-N 2.86Å; E562-R564 VanDerWaalsContact C-N 3.28Å; E562-R564 PolarHBondContact O-N 2.9Å; E562-Q565 PolarHBondContact O-N 3.23Å; E562-S566 VanDerWaalsContact O-CB 3.3Å; E562-S566 WeakPolarHBondContact O-CB 3.21Å; E562-S566 PolarHBondContact O-N 3.14Å
563	M	89.4	Confident	85.3	Confident	21 Å²	21	83.8 Å²	83.8	10%	0.103	43%	0.425	C	S	.	.	H	α-helix	trans	-59.5	-39.9	174.6	-72.4	171.6	59.1	0	0	111.8	L421 P532 I534 D559 L560 Q561 A567	L421-M563 HydrophobicContact CB-CG 4.09Å; P532-M563 HydrophobicContact CB-CE 3.87Å; P532-M563 HydrophobicContact CG-CE 3.33Å; I534-M563 VanDerWaalsContact CD1-C 3.49Å; I534-M563 HydrophobicContact CD1-CB 3.85Å; I534-M563 HydrophobicContact CG1-CB 4.48Å; D559-M563 WeakPolarHBondContact O-CB 3.44Å; D559-M563 WeakPolarHBondContact O-CG 3.28Å; D559-M563 PolarHBondContact O-N 2.64Å; L560-M563 HydrophobicContact CD2-SD 4.46Å; Q561-M563 VanDerWaalsContact C-N 3.33Å; Q561-M563 PolarHBondContact O-N 3.02Å; M563-A567 PolarHBondContact O-N 3.46Å; M563-A567 VanDerWaalsContact O-N 3.09Å
564	R	89.8	Confident	87.2	Confident	91 Å²	91	80.8 Å²	80.8	34%	0.343	39%	0.39	S	S	.	.	H	α-helix	trans	-68.6	-47.4	178.7	-172.6	-178.2	-69.1	165.6	-4.4	111.1	I534 P535 E536 L560 Q561 E562 S566 A567 V568	I534-R564 HydrophobicContact CD1-CB 3.81Å; I534-R564 HydrophobicContact CD1-CG 4.5Å; I534-R564 VanDerWaalsContact CD1-N 3.32Å; P535-R564 PolarHBondContact O-NH2 2.74Å; E536-R564 PolarHBondContact O-NH2 3.14Å; L560-R564 WeakPolarHBondContact O-CB 3.35Å; L560-R564 PolarHBondContact O-N 2.96Å; Q561-R564 WeakPolarHBondContact O-CB 3.24Å; Q561-R564 PolarHBondContact O-N 3.46Å; Q561-R564 VanDerWaalsContact O-N 3.16Å; E562-R564 VanDerWaalsContact C-N 3.28Å; E562-R564 PolarHBondContact O-N 2.9Å; R564-S566 VanDerWaalsContact C-N 3.34Å; R564-S566 PolarHBondContact O-N 3.29Å; R564-A567 PolarHBondContact O-N 3.46Å; R564-V568 WeakPolarHBondContact O-CG2 3.37Å; R564-V568 PolarHBondContact O-N 2.94Å
565	Q	91.6	Very high	88.5	Confident	111 Å²	111	71.5 Å²	71.5	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-44.6	177.4	-73	175.5	-10.9	0	0	111.4	Q561 E562 A567 V568 Q569	Q561-Q565 WeakPolarHBondContact O-CG 3.25Å; Q561-Q565 PolarHBondContact O-N 3.47Å; E562-Q565 PolarHBondContact O-N 3.23Å; Q565-A567 VanDerWaalsContact C-N 3.33Å; Q565-A567 PolarHBondContact O-N 3.25Å; Q565-V568 PolarHBondContact O-N 3.16Å; Q565-Q569 WeakPolarHBondContact O-CB 3.32Å; Q565-Q569 PolarHBondContact O-N 3.41Å
566	S	93.4	Very high	89.3	Confident	19 Å²	19	68.2 Å²	68.2	13%	0.133	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-42	175.5	172.9	0	0	0	0	112.4	L421 E562 R564 I570	L421-S566 PolarHBondContact N-OG 2.93Å; L421-S566 VanDerWaalsContact N-OG 3.12Å; E562-S566 VanDerWaalsContact O-CB 3.3Å; E562-S566 WeakPolarHBondContact O-CB 3.21Å; E562-S566 PolarHBondContact O-N 3.14Å; R564-S566 VanDerWaalsContact C-N 3.34Å; R564-S566 PolarHBondContact O-N 3.29Å; S566-I570 WeakPolarHBondContact O-CG1 3.22Å; S566-I570 PolarHBondContact O-N 3.38Å; S566-I570 VanDerWaalsContact O-N 3.14Å
567	A	91.7	Very high	89.7	Confident	12 Å²	12	66.4 Å²	66.4	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-42.2	178.2	0	0	0	0	0	112.5	F529 K531 M563 R564 Q565 D571	F529-A567 HydrophobicContact CZ-CB 4.4Å; K531-A567 HydrophobicContact CB-CB 4.46Å; M563-A567 PolarHBondContact O-N 3.46Å; M563-A567 VanDerWaalsContact O-N 3.09Å; R564-A567 PolarHBondContact O-N 3.46Å; Q565-A567 VanDerWaalsContact C-N 3.33Å; Q565-A567 PolarHBondContact O-N 3.25Å; A567-D571 WeakPolarHBondContact O-CB 3.39Å; A567-D571 PolarHBondContact O-N 3.45Å; A567-D571 VanDerWaalsContact O-N 3.14Å
568	V	92.6	Very high	90.2	Very high	69 Å²	69	61.5 Å²	61.5	42%	0.418	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-44.8	176.9	171.5	0	0	0	0	110.9	R564 Q565 I570 D571 Q572	R564-V568 WeakPolarHBondContact O-CG2 3.37Å; R564-V568 PolarHBondContact O-N 2.94Å; Q565-V568 PolarHBondContact O-N 3.16Å; V568-I570 PolarHBondContact O-N 3.31Å; V568-D571 PolarHBondContact O-N 3.22Å; V568-Q572 HydrophobicContact CG1-CG 4.2Å; V568-Q572 VanDerWaalsContact CG1-NE2 3.34Å; V568-Q572 WeakPolarHBondContact O-CB 3.39Å; V568-Q572 VanDerWaalsContact O-CG 3.28Å; V568-Q572 WeakPolarHBondContact O-CG 3.28Å; V568-Q572 PolarHBondContact O-N 2.71Å
569	Q	93.2	Very high	90.5	Very high	122 Å²	122	57.7 Å²	57.7	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-60.7	-46.5	-179.5	-175.3	-178.7	3.6	0	0	112	Q565 Q572 Q573	Q565-Q569 WeakPolarHBondContact O-CB 3.32Å; Q565-Q569 PolarHBondContact O-N 3.41Å; Q569-Q572 PolarHBondContact O-N 2.95Å; Q569-Q573 WeakPolarHBondContact O-CB 3.37Å; Q569-Q573 PolarHBondContact O-N 3.18Å
570	I	91.4	Very high	90.9	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.108	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-42.6	178.4	-67.4	171.2	0	0	0	110.8	I418 G419 P512 F529 S566 V568 Q573 Y574 G575	I418-I570 HydrophobicContact CD1-CG2 4.11Å; G419-I570 WeakPolarHBondContact O-CD1 3.25Å; P512-I570 HydrophobicContact CG-CG1 4.45Å; P512-I570 HydrophobicContact CG-CG2 4.21Å; F529-I570 HydrophobicContact CD2-CG2 4Å; F529-I570 HydrophobicContact CE2-CB 4.04Å; F529-I570 HydrophobicContact CE2-CD1 4.25Å; F529-I570 HydrophobicContact CE2-CG2 3.58Å; F529-I570 HydrophobicContact CZ-CB 4.06Å; F529-I570 HydrophobicContact CZ-CG2 3.95Å; S566-I570 WeakPolarHBondContact O-CG1 3.22Å; S566-I570 PolarHBondContact O-N 3.38Å; S566-I570 VanDerWaalsContact O-N 3.14Å; V568-I570 PolarHBondContact O-N 3.31Å; I570-Q573 PolarHBondContact O-N 3.32Å; I570-Y574 WeakPolarHBondContact O-CA 3.39Å; I570-Y574 WeakPolarHBondContact O-CB 3.45Å; I570-Y574 PolarHBondContact O-N 2.86Å; I570-G575 PolarHBondContact O-N 3.09Å
571	D	91.4	Very high	91.3	Very high	57 Å²	57	60.8 Å²	60.8	31%	0.305	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-39.2	-179.6	-172.3	43.2	0	0	0	112.7	R260 F529 A567 V568 G575	R260-D571 IonicContact CZ-OD1 2.75Å; R260-D571 PolarHBondContact NH1-O 3.01Å; R260-D571 PolarHBondContact NH2-O 2.59Å; R260-D571 IonicContact NH2-OD1 3.82Å; R260-D571 PolarHBondContact NH2-OD1 3.12Å; R260-D571 IonicContact NH2-OD2 3.61Å; F529-D571 HydrophobicContact CE1-CB 4.16Å; A567-D571 WeakPolarHBondContact O-CB 3.39Å; A567-D571 PolarHBondContact O-N 3.45Å; A567-D571 VanDerWaalsContact O-N 3.14Å; V568-D571 PolarHBondContact O-N 3.22Å; D571-G575 VanDerWaalsContact O-CA 3.26Å; D571-G575 WeakPolarHBondContact O-CA 3.39Å; D571-G575 PolarHBondContact O-N 3.4Å
572	Q	90.1	Very high	91.6	Very high	142 Å²	142	56.9 Å²	56.9	66%	0.664	28%	0.277	S	S	*	.	H	α-helix	trans	-64.2	-47.8	175.6	-75.6	175.1	-8.6	0	0	111.8	V568 Q569	V568-Q572 HydrophobicContact CG1-CG 4.2Å; V568-Q572 VanDerWaalsContact CG1-NE2 3.34Å; V568-Q572 WeakPolarHBondContact O-CB 3.39Å; V568-Q572 VanDerWaalsContact O-CG 3.28Å; V568-Q572 WeakPolarHBondContact O-CG 3.28Å; V568-Q572 PolarHBondContact O-N 2.71Å; Q569-Q572 PolarHBondContact O-N 2.95Å
573	Q	89.8	Confident	91.9	Very high	99 Å²	99	55.5 Å²	55.5	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-81.6	-37.5	-173.1	-170.7	174.7	-2.9	0	0	113.1	Q569 I570 H576	Q569-Q573 WeakPolarHBondContact O-CB 3.37Å; Q569-Q573 PolarHBondContact O-N 3.18Å; I570-Q573 PolarHBondContact O-N 3.32Å; Q573-H576 PolarHBondContact O-CE1 3.29Å; Q573-H576 PolarHBondContact O-ND1 3.14Å
574	Y	91.1	Very high	91.9	Very high	16 Å²	16	56 Å²	56	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-124.5	-4.2	-169.1	-59.9	-75.1	0	0	0	114.4	P512 E513 I570 H576 L577	P512-Y574 HydrophobicContact CB-CD1 3.87Å; P512-Y574 HydrophobicContact CB-CD2 3.3Å; P512-Y574 HydrophobicContact CB-CE1 4.03Å; P512-Y574 HydrophobicContact CB-CE2 3.47Å; P512-Y574 VanDerWaalsContact CB-CE2 3.47Å; P512-Y574 HydrophobicContact CB-CG 3.5Å; P512-Y574 VanDerWaalsContact CB-CG 3.5Å; P512-Y574 HydrophobicContact CG-CD2 3.98Å; P512-Y574 HydrophobicContact CG-CE2 4.18Å; E513-Y574 WeakPolarHBondContact CG-OH 3.29Å; E513-Y574 PolarHBondContact OE1-OH 3.01Å; I570-Y574 WeakPolarHBondContact O-CA 3.39Å; I570-Y574 WeakPolarHBondContact O-CB 3.45Å; I570-Y574 PolarHBondContact O-N 2.86Å; Y574-H576 PolarHBondContact O-N 3.12Å; Y574-H576 VanDerWaalsContact O-N 3.07Å; Y574-L577 HydrophobicContact CD1-CD1 4.43Å; Y574-L577 WeakPolarHBondContact O-CB 3.48Å; Y574-L577 PolarHBondContact O-N 3.01Å
575	G	89.5	Confident	91.8	Very high	7 Å²	7	58 Å²	58	7%	0.072	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-63.4	-18.3	-175.2	0	0	0	0	0	114.6	R260 I570 D571 L577 V578	R260-G575 VanDerWaalsContact CZ-CA 3.49Å; I570-G575 PolarHBondContact O-N 3.09Å; D571-G575 VanDerWaalsContact O-CA 3.26Å; D571-G575 WeakPolarHBondContact O-CA 3.39Å; D571-G575 PolarHBondContact O-N 3.4Å; G575-L577 PolarHBondContact O-N 3.21Å; G575-V578 PolarHBondContact O-N 2.88Å
576	H	89	Confident	91.6	Very high	36 Å²	36	56.2 Å²	56.2	17%	0.167	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-68.5	-17.2	171.7	65.2	-83.5	0	0	0	113.4	L238 R260 L396 Q573 Y574	L238-H576 HydrophobicContact CD2-CB 4.41Å; R260-H576 HydrophobicContact CG-CB 4.4Å; L396-H576 HydrophobicContact CD2-CB 4.5Å; L396-H576 VanDerWaalsContact CD2-CD2 3.49Å; L396-H576 WeakPolarHBondContact CD2-CD2 3.29Å; Q573-H576 PolarHBondContact O-CE1 3.29Å; Q573-H576 PolarHBondContact O-ND1 3.14Å; Y574-H576 PolarHBondContact O-N 3.12Å; Y574-H576 VanDerWaalsContact O-N 3.07Å
577	L	91.2	Very high	91.3	Very high	25 Å²	25	56.6 Å²	56.6	13%	0.131	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-96.6	-5.6	177.4	-55.7	179.7	0	0	0	113	L515 V527 Y574 G575	L515-L577 HydrophobicContact CB-CD1 4.02Å; L515-L577 HydrophobicContact CD1-CB 4.11Å; L515-L577 HydrophobicContact CD1-CD1 3.99Å; V527-L577 WeakPolarHBondContact CB-O 3.38Å; Y574-L577 HydrophobicContact CD1-CD1 4.43Å; Y574-L577 WeakPolarHBondContact O-CB 3.48Å; Y574-L577 PolarHBondContact O-N 3.01Å; G575-L577 PolarHBondContact O-N 3.21Å
578	V	93.2	Very high	91.3	Very high	26 Å²	26	59 Å²	59	16%	0.158	30%	0.303	C	S	.	.			trans	-87.6	127.7	-173.9	174.6	0	0	0	0	110.2	I418 V527 F529 G575 R580 V581	I418-V578 HydrophobicContact CD1-CG2 3.77Å; V527-V578 HydrophobicContact CG1-CG2 4.3Å; F529-V578 HydrophobicContact CB-CB 4.45Å; F529-V578 HydrophobicContact CB-CG1 3.64Å; F529-V578 HydrophobicContact CB-CG2 3.89Å; G575-V578 PolarHBondContact O-N 2.88Å; V578-R580 WeakPolarHBondContact CG1-O 3.45Å; V578-V581 HydrophobicContact CG1-CG2 4.09Å
579	D	93.1	Very high	91.3	Very high	46 Å²	46	58.7 Å²	58.7	25%	0.246	31%	0.305	C	S	.	.	S	Bend	trans	-86.9	-31.8	175.3	-60.7	-73.2	0	0	0	112	R236 Y526 V527	R236-D579 IonicContact NH1-OD1 3.48Å; Y526-D579 WeakPolarHBondContact CA-OD2 3.42Å; Y526-D579 HydrophobicContact CD1-CB 4.47Å; Y526-D579 HydrophobicContact CD2-CB 3.77Å; Y526-D579 HydrophobicContact CE1-CB 4.19Å; Y526-D579 HydrophobicContact CE2-CB 3.45Å; Y526-D579 VanDerWaalsContact CE2-CB 3.45Å; Y526-D579 HydrophobicContact CG-CB 4.3Å; V527-D579 PolarHBondContact N-OD2 3.47Å; V527-D579 PolarHBondContact O-N 2.73Å
580	R	93.9	Very high	91.3	Very high	110 Å²	110	53 Å²	53	42%	0.415	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	139.3	-179.2	-168.4	67.6	178.1	-172.5	0.7	112.3	Y526 V527 I528 F529 V578 E593 I597	Y526-R580 HydrophobicContact CE1-CB 4.15Å; V527-R580 PolarHBondContact O-N 2.96Å; I528-R580 CarbonylContact C-O 3.59Å; I528-R580 VanDerWaalsContact CA-O 3.32Å; I528-R580 WeakPolarHBondContact CA-O 2.96Å; F529-R580 PolarHBondContact N-O 2.84Å; V578-R580 WeakPolarHBondContact CG1-O 3.45Å; R580-E593 IonicContact NE-OE1 3.77Å; R580-E593 IonicContact NH2-OE1 3.54Å; R580-I597 HydrophobicContact CG-CD1 3.83Å
581	V	94.5	Very high	91.5	Very high	55 Å²	55	52.1 Å²	52.1	33%	0.333	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.8	170.2	-176.2	0	0	0	0	109	F529 K531 V578 I583	F529-V581 HydrophobicContact CB-CG2 4.44Å; F529-V581 HydrophobicContact CD1-CG1 4.09Å; F529-V581 HydrophobicContact CD1-CG2 4.19Å; F529-V581 CarbonylContact O-C 3.57Å; F529-V581 WeakPolarHBondContact O-CA 3.47Å; K531-V581 HydrophobicContact CD-CG1 4.08Å; K531-V581 HydrophobicContact CG-CG1 4.24Å; V578-V581 HydrophobicContact CG1-CG2 4.09Å; V581-I583 HydrophobicContact CG1-CG1 4.48Å
582	L	95.3	Very high	91.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.8	176.4	-170.2	156.5	0	0	0	108.9	L428 I528 F529 V530 K531 K584 A590 E593 L594 I597	L428-L582 HydrophobicContact CD2-CD2 4.44Å; I528-L582 HydrophobicContact CG2-CB 3.94Å; F529-L582 PolarHBondContact O-N 3.06Å; V530-L582 WeakPolarHBondContact CA-O 3.05Å; V530-L582 HydrophobicContact CG1-CD2 4.12Å; V530-L582 HydrophobicContact CG2-CB 4.41Å; K531-L582 PolarHBondContact N-O 3.39Å; L582-K584 HydrophobicContact CD2-CB 4.36Å; L582-A590 HydrophobicContact CD2-CB 3.9Å; L582-E593 HydrophobicContact CD1-CB 4.35Å; L582-E593 HydrophobicContact CD1-CG 4.31Å; L582-E593 HydrophobicContact CG-CG 4.48Å; L582-L594 HydrophobicContact CD1-CB 4.03Å; L582-I597 HydrophobicContact CD1-CD1 4.46Å
583	I	93.8	Very high	91.8	Very high	80 Å²	80	47.4 Å²	47.4	41%	0.41	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108	178.8	-57.5	177.5	0	0	0	108.5	K531 R533 V581 E585	K531-I583 HydrophobicContact CG-CG1 4.3Å; K531-I583 CarbonylContact O-C 3.58Å; K531-I583 WeakPolarHBondContact O-CA 3.47Å; R533-I583 HydrophobicContact CB-CG2 4.15Å; V581-I583 HydrophobicContact CG1-CG1 4.48Å; I583-E585 HydrophobicContact CG2-CG 4.49Å; I583-E585 PolarHBondContact O-N 3.49Å; I583-E585 VanDerWaalsContact O-N 3.14Å
584	K	90.3	Very high	92.1	Very high	31 Å²	31	42.8 Å²	42.8	14%	0.135	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	97.4	-178.9	-176.2	176.2	-178.2	-69.2	0	110.3	A423 V530 K531 R533 L582 A590	A423-K584 VanDerWaalsContact O-CD 3.23Å; A423-K584 WeakPolarHBondContact O-CD 3.24Å; V530-K584 HydrophobicContact CG1-CB 4.43Å; K531-K584 PolarHBondContact O-N 2.73Å; R533-K584 PolarHBondContact N-O 2.95Å; L582-K584 HydrophobicContact CD2-CB 4.36Å; K584-A590 HydrophobicContact CB-CB 4.35Å; K584-A590 HydrophobicContact CG-CB 3.94Å
585	E	87.1	Confident	92.2	Very high	135 Å²	135	45.7 Å²	45.7	63%	0.631	25%	0.246	S	C	*	.	S	Bend	trans	-81.7	-66.8	168.9	-60.9	-165.5	158.7	0	0	110.1	R533 I583	R533-E585 HydrophobicContact CB-CB 4.5Å; R533-E585 HydrophobicContact CB-CG 3.94Å; R533-E585 HydrophobicContact CG-CG 4.15Å; I583-E585 HydrophobicContact CG2-CG 4.49Å; I583-E585 PolarHBondContact O-N 3.49Å; I583-E585 VanDerWaalsContact O-N 3.14Å
586	D	88.4	Confident	92.4	Very high	73 Å²	73	46.6 Å²	46.6	39%	0.39	26%	0.256	S	S	.	.	S	Bend	trans	-117.6	163.4	172	73.8	90.4	0	0	0	111.5	A588 S589 A590	D586-A588 WeakPolarHBondContact OD1-CA 3.36Å; D586-A588 WeakPolarHBondContact OD1-CB 3.39Å; D586-A588 PolarHBondContact OD1-N 3.03Å; D586-S589 PolarHBondContact OD1-N 2.85Å; D586-S589 WeakPolarHBondContact OD2-CB 3.3Å; D586-A590 VanDerWaalsContact O-CB 3.29Å; D586-A590 WeakPolarHBondContact O-CB 3.37Å; D586-A590 PolarHBondContact O-N 2.8Å
587	S	87.7	Confident	92.7	Very high	26 Å²	26	45.3 Å²	45.3	18%	0.182	25%	0.25	C	S	.	.	H	α-helix	trans	-73.2	-26.4	-176.4	-167.5	0	0	0	0	113.5	R431 C591	R431-S587 PolarHBondContact NH1-OG 2.8Å; R431-S587 PolarHBondContact NH2-OG 2.87Å; S587-C591 PolarHBondContact O-N 3.3Å; S587-C591 PolarHBondContact O-SG 3.38Å
588	A	90.6	Very high	92.8	Very high	62 Å²	62	44.1 Å²	44.1	51%	0.512	24%	0.244	S	C	.	.	H	α-helix	trans	-80.7	-47	-176.7	0	0	0	0	0	110.8	D586 A590 C591 A592	D586-A588 WeakPolarHBondContact OD1-CA 3.36Å; D586-A588 WeakPolarHBondContact OD1-CB 3.39Å; D586-A588 PolarHBondContact OD1-N 3.03Å; A588-A590 PolarHBondContact O-N 3.44Å; A588-C591 PolarHBondContact O-N 3.22Å; A588-C591 VanDerWaalsContact O-N 3.17Å; A588-A592 PolarHBondContact O-N 3.16Å
589	S	93.1	Very high	92.7	Very high	64 Å²	64	46.6 Å²	46.6	45%	0.448	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-45.2	174.2	-175.9	0	0	0	0	111.5	D586 C591 A592 E593	D586-S589 PolarHBondContact OD1-N 2.85Å; D586-S589 WeakPolarHBondContact OD2-CB 3.3Å; S589-C591 VanDerWaalsContact C-N 3.3Å; S589-C591 PolarHBondContact O-N 3.46Å; S589-A592 PolarHBondContact O-N 3.47Å; S589-A592 VanDerWaalsContact O-N 3.13Å; S589-E593 PolarHBondContact O-N 2.89Å
590	A	93.5	Very high	92.7	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-37.4	176.1	0	0	0	0	0	113	L428 L582 K584 D586 A588 L594	L428-A590 HydrophobicContact CD1-CB 4.12Å; L582-A590 HydrophobicContact CD2-CB 3.9Å; K584-A590 HydrophobicContact CB-CB 4.35Å; K584-A590 HydrophobicContact CG-CB 3.94Å; D586-A590 VanDerWaalsContact O-CB 3.29Å; D586-A590 WeakPolarHBondContact O-CB 3.37Å; D586-A590 PolarHBondContact O-N 2.8Å; A588-A590 PolarHBondContact O-N 3.44Å; A590-L594 WeakPolarHBondContact O-CB 3.37Å; A590-L594 PolarHBondContact O-N 2.99Å
591	C	93.9	Very high	92.5	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-69	-40.6	175.3	-67.1	0	0	0	0	111.5	L428 R431 V432 S587 A588 S589 L594 R595	L428-C591 HydrophobicContact CD1-CB 4.1Å; L428-C591 WeakPolarHBondContact CD1-SG 3.34Å; R431-C591 VanDerWaalsContact CD-SG 3.56Å; V432-C591 HydrophobicContact CG2-CB 4.07Å; S587-C591 PolarHBondContact O-N 3.3Å; S587-C591 PolarHBondContact O-SG 3.38Å; A588-C591 PolarHBondContact O-N 3.22Å; A588-C591 VanDerWaalsContact O-N 3.17Å; S589-C591 VanDerWaalsContact C-N 3.3Å; S589-C591 PolarHBondContact O-N 3.46Å; C591-L594 PolarHBondContact O-N 3.06Å; C591-R595 WeakPolarHBondContact O-CB 3.24Å; C591-R595 PolarHBondContact O-N 2.87Å
592	A	94.1	Very high	92.2	Very high	40 Å²	40	46.1 Å²	46.1	33%	0.331	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-42.9	176.3	0	0	0	0	0	112	A588 S589 R595 G596	A588-A592 PolarHBondContact O-N 3.16Å; S589-A592 PolarHBondContact O-N 3.47Å; S589-A592 VanDerWaalsContact O-N 3.13Å; A592-R595 PolarHBondContact O-N 3.38Å; A592-G596 PolarHBondContact O-N 2.92Å
593	E	95.3	Very high	91.8	Very high	60 Å²	60	55 Å²	55	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-63.7	-47.4	175.1	-173.9	179	-178.6	0	0	111.1	R580 L582 S589 R595 G596 I597	R580-E593 IonicContact NE-OE1 3.77Å; R580-E593 IonicContact NH2-OE1 3.54Å; L582-E593 HydrophobicContact CD1-CB 4.35Å; L582-E593 HydrophobicContact CD1-CG 4.31Å; L582-E593 HydrophobicContact CG-CG 4.48Å; S589-E593 PolarHBondContact O-N 2.89Å; E593-R595 VanDerWaalsContact C-N 3.35Å; E593-R595 PolarHBondContact O-N 2.99Å; E593-G596 PolarHBondContact O-N 3.15Å; E593-I597 HydrophobicContact CG-CD1 4.1Å; E593-I597 WeakPolarHBondContact O-CG1 3.21Å; E593-I597 PolarHBondContact O-N 2.91Å
594	L	95.1	Very high	91.7	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-47.1	177.3	-180	56.5	0	0	0	110.9	L417 L428 V432 I528 L582 A590 C591 G596 I597 L598	L417-L594 HydrophobicContact CD1-CD2 4.38Å; L417-L594 HydrophobicContact CD2-CD1 4.22Å; L428-L594 HydrophobicContact CD1-CB 4.32Å; L428-L594 HydrophobicContact CD1-CD2 4Å; L428-L594 HydrophobicContact CD2-CD2 4.1Å; L428-L594 HydrophobicContact CG-CD2 3.72Å; V432-L594 HydrophobicContact CB-CD2 4.4Å; V432-L594 HydrophobicContact CG2-CB 4.33Å; V432-L594 HydrophobicContact CG2-CD2 3.92Å; V432-L594 HydrophobicContact CG2-CG 4.24Å; I528-L594 HydrophobicContact CD1-CD1 3.58Å; L582-L594 HydrophobicContact CD1-CB 4.03Å; A590-L594 WeakPolarHBondContact O-CB 3.37Å; A590-L594 PolarHBondContact O-N 2.99Å; C591-L594 PolarHBondContact O-N 3.06Å; L594-G596 PolarHBondContact O-N 3.12Å; L594-I597 WeakPolarHBondContact O-CB 3.11Å; L594-I597 PolarHBondContact O-N 2.83Å; L594-I597 VanDerWaalsContact O-N 3.13Å; L594-L598 HydrophobicContact CD1-CD2 4.38Å; L594-L598 HydrophobicContact CD1-CG 4.33Å; L594-L598 HydrophobicContact CG-CD1 4.42Å; L594-L598 HydrophobicContact CG-CG 4.49Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 3.39Å
595	R	93.6	Very high	91.7	Very high	77 Å²	77	55.1 Å²	55.1	29%	0.291	29%	0.287	S	S	.	.	H	α-helix	trans	-57.7	-46.3	175.7	170.6	163.7	34	76.4	2.2	112.2	E435 C591 A592 E593 I597 L598 E599	E435-R595 IonicContact OE2-CZ 3.69Å; E435-R595 IonicContact OE2-NE 3.13Å; E435-R595 PolarHBondContact OE2-NE 3.11Å; E435-R595 IonicContact OE2-NH2 3.48Å; C591-R595 WeakPolarHBondContact O-CB 3.24Å; C591-R595 PolarHBondContact O-N 2.87Å; A592-R595 PolarHBondContact O-N 3.38Å; E593-R595 VanDerWaalsContact C-N 3.35Å; E593-R595 PolarHBondContact O-N 2.99Å; R595-I597 VanDerWaalsContact C-N 3.26Å; R595-I597 PolarHBondContact O-N 3.37Å; R595-L598 PolarHBondContact O-N 3.39Å; R595-L598 VanDerWaalsContact O-N 3.13Å; R595-E599 HydrophobicContact CG-CG 4.45Å; R595-E599 VanDerWaalsContact CG-OE1 3.31Å; R595-E599 WeakPolarHBondContact CG-OE1 3.44Å; R595-E599 WeakPolarHBondContact O-CG 3.44Å; R595-E599 PolarHBondContact O-N 2.72Å
596	G	94.3	Very high	91.9	Very high	26 Å²	26	49.9 Å²	49.9	27%	0.268	26%	0.262	S	S	.	.	H	α-helix	trans	-59.9	-36	176.2	0	0	0	0	0	113	A592 E593 L594 R600	A592-G596 PolarHBondContact O-N 2.92Å; E593-G596 PolarHBondContact O-N 3.15Å; L594-G596 PolarHBondContact O-N 3.12Å; G596-R600 WeakPolarHBondContact O-CB 3.39Å; G596-R600 WeakPolarHBondContact O-CD 3.42Å; G596-R600 WeakPolarHBondContact O-CG 3.15Å; G596-R600 PolarHBondContact O-N 3.36Å
597	I	94.1	Very high	92.1	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.051	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-47.3	173.3	-66.1	161.9	0	0	0	110.8	Y526 I528 R580 L582 E593 L594 R595 E599 R600 L601	Y526-I597 HydrophobicContact CD1-CG2 4.16Å; Y526-I597 HydrophobicContact CE1-CG2 3.49Å; Y526-I597 VanDerWaalsContact CE1-CG2 3.49Å; I528-I597 HydrophobicContact CD1-CD1 4.38Å; I528-I597 HydrophobicContact CD1-CG2 3.78Å; R580-I597 HydrophobicContact CG-CD1 3.83Å; L582-I597 HydrophobicContact CD1-CD1 4.46Å; E593-I597 HydrophobicContact CG-CD1 4.1Å; E593-I597 WeakPolarHBondContact O-CG1 3.21Å; E593-I597 PolarHBondContact O-N 2.91Å; L594-I597 WeakPolarHBondContact O-CB 3.11Å; L594-I597 PolarHBondContact O-N 2.83Å; L594-I597 VanDerWaalsContact O-N 3.13Å; R595-I597 VanDerWaalsContact C-N 3.26Å; R595-I597 PolarHBondContact O-N 3.37Å; I597-E599 PolarHBondContact O-N 2.9Å; I597-R600 PolarHBondContact O-N 3.38Å; I597-L601 HydrophobicContact CG2-CD1 4.3Å; I597-L601 WeakPolarHBondContact O-CG 3.25Å; I597-L601 PolarHBondContact O-N 3.1Å
598	L	93.4	Very high	92.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-41.1	-179.7	-61.2	178.9	0	0	0	112.3	V415 V432 Y440 M505 I507 L594 R595 L601	V415-L598 HydrophobicContact CB-CD2 4.25Å; V415-L598 HydrophobicContact CG1-CD2 3.95Å; V415-L598 HydrophobicContact CG2-CD2 3.7Å; V432-L598 HydrophobicContact CG1-CD1 3.55Å; Y440-L598 HydrophobicContact CD1-CD1 4.23Å; Y440-L598 HydrophobicContact CD2-CD1 4.28Å; Y440-L598 HydrophobicContact CE1-CB 4.06Å; Y440-L598 HydrophobicContact CE1-CD1 3.9Å; Y440-L598 HydrophobicContact CE2-CD1 3.92Å; Y440-L598 HydrophobicContact CG-CD1 4.43Å; M505-L598 HydrophobicContact SD-CB 4.31Å; M505-L598 HydrophobicContact SD-CD2 3.75Å; I507-L598 HydrophobicContact CD1-CD1 3.69Å; I507-L598 HydrophobicContact CD1-CD2 4.36Å; L594-L598 HydrophobicContact CD1-CD2 4.38Å; L594-L598 HydrophobicContact CD1-CG 4.33Å; L594-L598 HydrophobicContact CG-CD1 4.42Å; L594-L598 HydrophobicContact CG-CG 4.49Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 3.39Å; R595-L598 PolarHBondContact O-N 3.39Å; R595-L598 VanDerWaalsContact O-N 3.13Å; L598-L601 HydrophobicContact CD2-CD1 4.43Å; L598-L601 WeakPolarHBondContact O-CB 3.41Å; L598-L601 PolarHBondContact O-N 3.47Å
599	E	91.8	Very high	92.5	Very high	78 Å²	78	44.5 Å²	44.5	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-39.7	177.2	-72.5	170.8	-175.4	0	0	112.1	R595 I597 L601 E602	R595-E599 HydrophobicContact CG-CG 4.45Å; R595-E599 VanDerWaalsContact CG-OE1 3.31Å; R595-E599 WeakPolarHBondContact CG-OE1 3.44Å; R595-E599 WeakPolarHBondContact O-CG 3.44Å; R595-E599 PolarHBondContact O-N 2.72Å; I597-E599 PolarHBondContact O-N 2.9Å; E599-L601 VanDerWaalsContact C-N 3.31Å; E599-L601 PolarHBondContact O-N 2.99Å; E599-E602 PolarHBondContact O-N 3.11Å
600	R	92.3	Very high	92.4	Very high	128 Å²	128	43 Å²	43	48%	0.483	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-34	175.7	-73	174.9	65.8	-165	-1.8	112.1	G596 I597 E602 R603 D604 F606	G596-R600 WeakPolarHBondContact O-CB 3.39Å; G596-R600 WeakPolarHBondContact O-CD 3.42Å; G596-R600 WeakPolarHBondContact O-CG 3.15Å; G596-R600 PolarHBondContact O-N 3.36Å; I597-R600 PolarHBondContact O-N 3.38Å; R600-E602 PolarHBondContact O-N 3.41Å; R600-E602 VanDerWaalsContact O-N 3.17Å; R600-R603 PolarHBondContact O-N 3.41Å; R600-R603 VanDerWaalsContact O-N 3.12Å; R600-D604 IonicContact CZ-OD2 3.57Å; R600-D604 IonicContact NE-OD2 3.73Å; R600-D604 PolarHBondContact NE-OD2 3.16Å; R600-D604 IonicContact NH2-OD2 2.76Å; R600-D604 WeakPolarHBondContact O-CB 3.49Å; R600-D604 PolarHBondContact O-N 3.31Å; R600-F606 HydrophobicContact CB-CZ 4.29Å; R600-F606 VanDerWaalsContact O-CE2 3.28Å; R600-F606 WeakPolarHBondContact O-CE2 3.49Å
601	L	90.8	Very high	92.3	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-26.8	178.8	-78.4	169.8	0	0	0	114.3	V415 M505 Y526 I597 L598 E599 F606	V415-L601 HydrophobicContact CG2-CD1 3.72Å; M505-L601 HydrophobicContact CE-CB 4.13Å; Y526-L601 HydrophobicContact CD1-CD1 3.72Å; Y526-L601 HydrophobicContact CD1-CD2 3.98Å; Y526-L601 HydrophobicContact CD1-CG 4.31Å; Y526-L601 HydrophobicContact CD2-CD2 3.4Å; Y526-L601 VanDerWaalsContact CD2-CD2 3.4Å; Y526-L601 HydrophobicContact CE1-CD1 4.35Å; Y526-L601 HydrophobicContact CE1-CD2 4.35Å; Y526-L601 HydrophobicContact CE2-CD2 3.81Å; Y526-L601 HydrophobicContact CG-CD1 3.84Å; Y526-L601 HydrophobicContact CG-CD2 3.46Å; Y526-L601 VanDerWaalsContact CG-CD2 3.46Å; Y526-L601 HydrophobicContact CG-CG 4.23Å; I597-L601 HydrophobicContact CG2-CD1 4.3Å; I597-L601 WeakPolarHBondContact O-CG 3.25Å; I597-L601 PolarHBondContact O-N 3.1Å; L598-L601 HydrophobicContact CD2-CD1 4.43Å; L598-L601 WeakPolarHBondContact O-CB 3.41Å; L598-L601 PolarHBondContact O-N 3.47Å; E599-L601 VanDerWaalsContact C-N 3.31Å; E599-L601 PolarHBondContact O-N 2.99Å; L601-F606 VanDerWaalsContact CA-CE2 3.47Å; L601-F606 HydrophobicContact CD2-CD1 4.24Å; L601-F606 HydrophobicContact CD2-CD2 4.19Å; L601-F606 HydrophobicContact CD2-CE1 3.87Å; L601-F606 HydrophobicContact CD2-CE2 3.87Å; L601-F606 HydrophobicContact CD2-CG 4.39Å; L601-F606 HydrophobicContact CD2-CZ 3.68Å; L601-F606 HydrophobicContact CG-CE2 4.49Å; L601-F606 HydrophobicContact CG-CZ 4.15Å
602	E	86.8	Confident	92.2	Very high	68 Å²	68	47.4 Å²	47.4	32%	0.318	23%	0.234	S	C	.	.	H	α-helix	trans	-89.4	-24.7	178.2	-66	177.5	-171.7	0	0	113.3	R439 M505 E599 R600	R439-E602 IonicContact CZ-OE1 2.9Å; R439-E602 IonicContact CZ-OE2 3.39Å; R439-E602 IonicContact NE-OE1 2.92Å; R439-E602 IonicContact NE-OE2 3.49Å; R439-E602 IonicContact NH2-OE1 3.37Å; R439-E602 PolarHBondContact NH2-OE1 3.13Å; R439-E602 VanDerWaalsContact NH2-OE1 3.13Å; R439-E602 IonicContact NH2-OE2 2.74Å; R439-E602 PolarHBondContact NH2-OE2 3.35Å; M505-E602 HydrophobicContact CE-CG 3.67Å; E599-E602 PolarHBondContact O-N 3.11Å; R600-E602 PolarHBondContact O-N 3.41Å; R600-E602 VanDerWaalsContact O-N 3.17Å
603	R	87.4	Confident	91.7	Very high	187 Å²	187	49.4 Å²	49.4	71%	0.706	24%	0.237	S	C	*	.	H	α-helix	trans	-104.3	-43.7	-172.1	-62.8	-176.9	69.7	-129.5	0.6	113.3	Q405 R600	Q405-R603 PolarHBondContact NE2-O 2.93Å; R600-R603 PolarHBondContact O-N 3.41Å; R600-R603 VanDerWaalsContact O-N 3.12Å
604	D	91.4	Very high	90.3	Very high	54 Å²	54	54.6 Å²	54.6	29%	0.289	25%	0.254	S	S	.	.	S	Bend	trans	-84.8	160.6	-170.7	-63.9	-3	0	0	0	111.3	R600 F606	R600-D604 IonicContact CZ-OD2 3.57Å; R600-D604 IonicContact NE-OD2 3.73Å; R600-D604 PolarHBondContact NE-OD2 3.16Å; R600-D604 IonicContact NH2-OD2 2.76Å; R600-D604 WeakPolarHBondContact O-CB 3.49Å; R600-D604 PolarHBondContact O-N 3.31Å; D604-F606 HydrophobicContact CB-CE2 3.81Å; D604-F606 HydrophobicContact CB-CZ 4.03Å; D604-F606 WeakPolarHBondContact O-CD2 3.45Å; D604-F606 WeakPolarHBondContact O-CE2 3.37Å
605	S	90.3	Very high	88.2	Confident	59 Å²	59	64.3 Å²	64.3	41%	0.413	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.5	168.2	65	0	0	0	0	111.1	Y404	Y404-S605 CarbonylContact O-C 3.55Å; Y404-S605 WeakPolarHBondContact O-CA 3.41Å
606	F	91.9	Very high	87.9	Confident	25 Å²	25	63.7 Å²	63.7	11%	0.11	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.7	178.1	-65.3	-91.7	0	0	0	111.6	R403 Y404 Y526 R600 L601 D604	R403-F606 WeakPolarHBondContact CA-O 3.38Å; Y404-F606 PolarHBondContact N-O 3.12Å; Y404-F606 PolarHBondContact O-N 3.48Å; Y526-F606 HydrophobicContact CD2-CD1 4.38Å; Y526-F606 AromaticContact CE2-CD1 3.74Å; Y526-F606 HydrophobicContact CE2-CD1 3.74Å; Y526-F606 AromaticContact CE2-CE1 3.83Å; Y526-F606 HydrophobicContact CE2-CE1 3.83Å; R600-F606 HydrophobicContact CB-CZ 4.29Å; R600-F606 VanDerWaalsContact O-CE2 3.28Å; R600-F606 WeakPolarHBondContact O-CE2 3.49Å; L601-F606 VanDerWaalsContact CA-CE2 3.47Å; L601-F606 HydrophobicContact CD2-CD1 4.24Å; L601-F606 HydrophobicContact CD2-CD2 4.19Å; L601-F606 HydrophobicContact CD2-CE1 3.87Å; L601-F606 HydrophobicContact CD2-CE2 3.87Å; L601-F606 HydrophobicContact CD2-CG 4.39Å; L601-F606 HydrophobicContact CD2-CZ 3.68Å; L601-F606 HydrophobicContact CG-CE2 4.49Å; L601-F606 HydrophobicContact CG-CZ 4.15Å; D604-F606 HydrophobicContact CB-CE2 3.81Å; D604-F606 HydrophobicContact CB-CZ 4.03Å; D604-F606 WeakPolarHBondContact O-CD2 3.45Å; D604-F606 WeakPolarHBondContact O-CE2 3.37Å
607	W	92.9	Very high	87.6	Confident	48 Å²	48	65.6 Å²	65.6	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.9	170.9	-64.8	99.9	0	0	0	109.8	Y234 I263 V280 V401 T402 R403	Y234-W607 AromaticContact CD1-CH2 3.46Å; Y234-W607 HydrophobicContact CD1-CH2 3.46Å; Y234-W607 VanDerWaalsContact CD1-CH2 3.46Å; Y234-W607 HydrophobicContact CD1-CZ2 4.36Å; Y234-W607 AromaticContact CD1-CZ3 3.88Å; Y234-W607 HydrophobicContact CD1-CZ3 3.88Å; Y234-W607 HydrophobicContact CD2-CH2 4.16Å; Y234-W607 HydrophobicContact CD2-CZ3 4.05Å; Y234-W607 AromaticContact CE1-CH2 3.81Å; Y234-W607 HydrophobicContact CE1-CH2 3.81Å; Y234-W607 HydrophobicContact CE2-CH2 4.46Å; Y234-W607 AromaticContact CG-CH2 3.65Å; Y234-W607 HydrophobicContact CG-CH2 3.65Å; Y234-W607 AromaticContact CG-CZ3 3.58Å; Y234-W607 HydrophobicContact CG-CZ3 3.58Å; I263-W607 HydrophobicContact CD1-CB 4.03Å; I263-W607 HydrophobicContact CD1-CG 4.01Å; I263-W607 HydrophobicContact CG1-CB 4.37Å; I263-W607 HydrophobicContact CG1-CD2 4.24Å; I263-W607 HydrophobicContact CG1-CG 3.84Å; I263-W607 HydrophobicContact CG2-CD2 3.9Å; I263-W607 HydrophobicContact CG2-CE3 4.16Å; I263-W607 HydrophobicContact CG2-CG 4.38Å; I263-W607 HydrophobicContact CG2-CH2 4.27Å; I263-W607 HydrophobicContact CG2-CZ2 4.03Å; I263-W607 HydrophobicContact CG2-CZ3 4.33Å; V280-W607 HydrophobicContact CG1-CZ2 4.05Å; V280-W607 HydrophobicContact CG2-CZ2 4.32Å; V401-W607 HydrophobicContact CB-CB 4.47Å; V401-W607 HydrophobicContact CB-CE3 4.2Å; V401-W607 HydrophobicContact CG2-CD2 4.41Å; V401-W607 HydrophobicContact CG2-CE3 3.72Å; V401-W607 HydrophobicContact CG2-CZ3 4.31Å; T402-W607 WeakPolarHBondContact O-CA 3.31Å; R403-W607 HydrophobicContact CG-CD2 4.12Å; R403-W607 HydrophobicContact CG-CE3 3.96Å; R403-W607 HydrophobicContact CG-CH2 3.6Å; R403-W607 HydrophobicContact CG-CZ2 3.74Å; R403-W607 HydrophobicContact CG-CZ3 3.71Å; R403-W607 VanDerWaalsContact NE-CZ2 3.35Å
608	V	93.4	Very high	87.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.5	175.6	-61.3	0	0	0	0	109.9	V401 T402 Y404 L610 W612 M613	V401-V608 CarbonylContact C-O 3.51Å; V401-V608 WeakPolarHBondContact CA-O 3.18Å; V401-V608 WeakPolarHBondContact CB-O 3.24Å; T402-V608 HydrophobicContact CG2-CG2 4.17Å; T402-V608 PolarHBondContact N-O 3.22Å; T402-V608 PolarHBondContact O-N 3.36Å; Y404-V608 VanDerWaalsContact CB-CG2 3.41Å; Y404-V608 HydrophobicContact CD1-CG1 4.3Å; Y404-V608 HydrophobicContact CG-CG1 4.26Å; Y404-V608 HydrophobicContact CG-CG2 4.23Å; V608-L610 PolarHBondContact O-N 3.25Å; V608-W612 HydrophobicContact CB-CE3 3.65Å; V608-W612 HydrophobicContact CB-CZ3 3.9Å; V608-W612 HydrophobicContact CG1-CE3 4Å; V608-W612 HydrophobicContact CG1-CZ3 3.89Å; V608-W612 HydrophobicContact CG2-CE3 4.48Å; V608-M613 HydrophobicContact CG2-CG 4.4Å
609	P	93.8	Very high	86.9	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	134.2	172.2	-27	36.5	0	0	0	111.5	E399 E400 S611 W612	E399-P609 HydrophobicContact CG-CB 4.43Å; E399-P609 VanDerWaalsContact OE1-CG 3.27Å; E399-P609 WeakPolarHBondContact OE1-CG 3.41Å; E400-P609 CarbonylContact O-C 3.58Å; E400-P609 WeakPolarHBondContact O-CA 3.48Å; P609-S611 PolarHBondContact O-N 3.44Å; P609-W612 HydrophobicContact CB-CD2 4.18Å; P609-W612 HydrophobicContact CB-CG 4.11Å; P609-W612 HydrophobicContact CG-CD2 3.96Å; P609-W612 HydrophobicContact CG-CE3 4.46Å; P609-W612 HydrophobicContact CG-CG 4.41Å; P609-W612 HydrophobicContact CG-CH2 4.12Å; P609-W612 HydrophobicContact CG-CZ2 3.58Å; P609-W612 WeakPolarHBondContact O-CB 3.22Å; P609-W612 PolarHBondContact O-N 2.87Å
610	L	91.3	Very high	86.5	Confident	34 Å²	34	72.4 Å²	72.4	18%	0.178	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-62.5	-30.3	-179.8	-177.6	64.5	0	0	0	111.7	E400 T402 V608 W612 M613 R614	E400-L610 HydrophobicContact CB-CB 4.31Å; E400-L610 HydrophobicContact CG-CB 4.06Å; E400-L610 HydrophobicContact CG-CD2 3.77Å; E400-L610 PolarHBondContact O-N 3.46Å; E400-L610 WeakPolarHBondContact OE1-CD2 3.46Å; T402-L610 HydrophobicContact CG2-CD1 3.85Å; V608-L610 PolarHBondContact O-N 3.25Å; L610-W612 PolarHBondContact O-N 3Å; L610-W612 VanDerWaalsContact O-N 3.15Å; L610-M613 PolarHBondContact O-N 3.01Å; L610-R614 PolarHBondContact O-N 2.97Å
611	S	90.1	Very high	86.2	Confident	81 Å²	81	68.7 Å²	68.7	57%	0.566	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-58.1	-23.2	174.1	57.4	0	0	0	0	113.5	P609 M613	P609-S611 PolarHBondContact O-N 3.44Å; S611-M613 VanDerWaalsContact C-N 3.26Å; S611-M613 PolarHBondContact O-N 3.49Å
612	W	91.4	Very high	85.8	Confident	16 Å²	16	73.4 Å²	73.4	6%	0.061	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-77.4	-12.5	177.2	-64.4	3	0	0	0	113.9	R519 K524 P525 V608 P609 L610	R519-W612 HydrophobicContact CG-CZ2 3.58Å; K524-W612 HydrophobicContact CB-CE3 3.67Å; K524-W612 HydrophobicContact CB-CZ3 3.8Å; K524-W612 HydrophobicContact CG-CD2 4.41Å; K524-W612 HydrophobicContact CG-CE3 3.73Å; K524-W612 HydrophobicContact CG-CZ3 4.38Å; P525-W612 HydrophobicContact CG-CH2 4.11Å; P525-W612 HydrophobicContact CG-CZ2 4.42Å; V608-W612 HydrophobicContact CB-CE3 3.65Å; V608-W612 HydrophobicContact CB-CZ3 3.9Å; V608-W612 HydrophobicContact CG1-CE3 4Å; V608-W612 HydrophobicContact CG1-CZ3 3.89Å; V608-W612 HydrophobicContact CG2-CE3 4.48Å; P609-W612 HydrophobicContact CB-CD2 4.18Å; P609-W612 HydrophobicContact CB-CG 4.11Å; P609-W612 HydrophobicContact CG-CD2 3.96Å; P609-W612 HydrophobicContact CG-CE3 4.46Å; P609-W612 HydrophobicContact CG-CG 4.41Å; P609-W612 HydrophobicContact CG-CH2 4.12Å; P609-W612 HydrophobicContact CG-CZ2 3.58Å; P609-W612 WeakPolarHBondContact O-CB 3.22Å; P609-W612 PolarHBondContact O-N 2.87Å; L610-W612 PolarHBondContact O-N 3Å; L610-W612 VanDerWaalsContact O-N 3.15Å
613	M	84.5	Confident	85.8	Confident	81 Å²	81	73.8 Å²	73.8	40%	0.399	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-11.4	-178.8	-60.5	-59.3	-66.7	0	0	112.8	T402 Y404 V608 L610 S611 T615	T402-M613 HydrophobicContact CG2-CB 4.45Å; T402-M613 HydrophobicContact CG2-CG 3.65Å; Y404-M613 HydrophobicContact CD2-CE 4.27Å; Y404-M613 HydrophobicContact CD2-SD 3.87Å; V608-M613 HydrophobicContact CG2-CG 4.4Å; L610-M613 PolarHBondContact O-N 3.01Å; S611-M613 VanDerWaalsContact C-N 3.26Å; S611-M613 PolarHBondContact O-N 3.49Å; M613-T615 PolarHBondContact O-N 3.49Å
614	R	66.8	Low	85.6	Confident	169 Å²	169	64.3 Å²	64.3	64%	0.638	34%	0.341	S	S	*	.			trans	-88.6	95.6	174.5	-62.7	-177.5	-174.8	173.1	3.8	107.6	E400 L610	E400-R614 IonicContact OE2-NH2 2.68Å; L610-R614 PolarHBondContact O-N 2.97Å
615	T	49.8	Very low	85.1	Confident	205 Å²	205	65.3 Å²	65.3	100%	1.258	35%	0.346	S	S	*	.			trans	-114.8	0	168.7	42.7	0	0	0	0	109.9	M613	M613-T615 PolarHBondContact O-N 3.49Å

Retrieved 615 of 615 residues in 402.9 ms (Link to these results)

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