A0A3Q0KSQ0_SCHMA Loading...

Putative lung seven transmembrane receptor

AlphaFold DB , UniProt , Accession A0A3Q0KSQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 630 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	41.3	Very low	54.5	Low	216 Å²	216	92.6 Å²	92.6	100%	1.064	49%	0.487	S	S	*	.				0	111.4	0	-143.7	160.6	76	0	0	106.9	I3	M1-I3 PolarHBondContact O-N 3.32Å
2	N	48.7	Very low	54.9	Low	121 Å²	121	90.9 Å²	90.9	65%	0.647	48%	0.478	S	S	*	.			trans	-66.4	108.4	-163.1	-74.8	-23.8	0	0	0	111.1	S4 V5 C6	N2-S4 PolarHBondContact O-N 3.27Å; N2-S4 VanDerWaalsContact O-N 3.08Å; N2-V5 HydrophobicContact CB-CB 4.13Å; N2-V5 HydrophobicContact CB-CG2 3.74Å; N2-V5 WeakPolarHBondContact O-CB 3.13Å; N2-V5 PolarHBondContact O-N 3.02Å; N2-C6 PolarHBondContact O-N 2.72Å
3	I	51.6	Low	55.3	Low	119 Å²	119	94.7 Å²	94.7	61%	0.61	50%	0.497	S	S	*	.	H	α-helix	trans	-49.5	-36.2	173.6	-66.9	167.3	0	0	0	110.4	M1 V5 C6 V7	M1-I3 PolarHBondContact O-N 3.32Å; I3-V5 PolarHBondContact O-N 3.16Å; I3-C6 PolarHBondContact O-N 3Å; I3-V7 HydrophobicContact CG2-CG2 4.19Å; I3-V7 WeakPolarHBondContact O-CB 3.36Å; I3-V7 WeakPolarHBondContact O-CG2 3.42Å; I3-V7 PolarHBondContact O-N 3.47Å
4	S	45.8	Very low	55.4	Low	95 Å²	95	91.9 Å²	91.9	66%	0.664	48%	0.482	S	S	*	.	H	α-helix	trans	-60.9	-38	175	175.4	0	0	0	0	113.9	N2 F8	N2-S4 PolarHBondContact O-N 3.27Å; N2-S4 VanDerWaalsContact O-N 3.08Å; S4-F8 WeakPolarHBondContact O-CB 3.39Å; S4-F8 PolarHBondContact O-N 3.48Å
5	V	55	Low	55.1	Low	68 Å²	68	87.9 Å²	87.9	41%	0.412	47%	0.465	S	S	.	.	H	α-helix	trans	-73.4	-41.4	177.9	175.9	0	0	0	0	110.3	N2 I3 F8 W9	N2-V5 HydrophobicContact CB-CB 4.13Å; N2-V5 HydrophobicContact CB-CG2 3.74Å; N2-V5 WeakPolarHBondContact O-CB 3.13Å; N2-V5 PolarHBondContact O-N 3.02Å; I3-V5 PolarHBondContact O-N 3.16Å; V5-F8 PolarHBondContact O-N 2.69Å; V5-W9 PolarHBondContact O-N 3.09Å
6	C	56.6	Low	54.7	Low	61 Å²	61	84.8 Å²	84.8	41%	0.412	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-43.8	173.6	-68.5	0	0	0	0	111.5	N2 I3 F8 W9 V10	N2-C6 PolarHBondContact O-N 2.72Å; I3-C6 PolarHBondContact O-N 3Å; C6-F8 VanDerWaalsContact C-N 3.35Å; C6-F8 PolarHBondContact O-N 3.1Å; C6-W9 PolarHBondContact O-N 3.39Å; C6-V10 VanDerWaalsContact O-CB 3.24Å; C6-V10 WeakPolarHBondContact O-CB 3.39Å; C6-V10 WeakPolarHBondContact O-CG2 3.47Å; C6-V10 PolarHBondContact O-N 3.1Å
7	V	57.8	Low	53.8	Low	25 Å²	25	87.4 Å²	87.4	15%	0.152	48%	0.483	C	S	.	.	H	α-helix	trans	-62.4	-43.2	176.2	169.8	0	0	0	0	110.7	I3 V10 V11 I395 V435	I3-V7 HydrophobicContact CG2-CG2 4.19Å; I3-V7 WeakPolarHBondContact O-CB 3.36Å; I3-V7 WeakPolarHBondContact O-CG2 3.42Å; I3-V7 PolarHBondContact O-N 3.47Å; V7-V10 PolarHBondContact O-N 2.9Å; V7-V11 HydrophobicContact CG1-CG2 4.24Å; V7-V11 WeakPolarHBondContact O-CB 3.39Å; V7-V11 WeakPolarHBondContact O-CG2 3.27Å; V7-V11 PolarHBondContact O-N 3.43Å; V7-I395 HydrophobicContact CG1-CB 4.47Å; V7-I395 HydrophobicContact CG1-CD1 3.99Å; V7-I395 HydrophobicContact CG1-CG2 3.78Å; V7-V435 HydrophobicContact CG2-CG1 4.01Å
8	F	57.4	Low	52.9	Low	99 Å²	99	83.9 Å²	83.9	43%	0.434	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-47.9	177.8	-174.9	-103.3	0	0	0	112.2	S4 V5 C6 V10 V11 L12 I392	S4-F8 WeakPolarHBondContact O-CB 3.39Å; S4-F8 PolarHBondContact O-N 3.48Å; V5-F8 PolarHBondContact O-N 2.69Å; C6-F8 VanDerWaalsContact C-N 3.35Å; C6-F8 PolarHBondContact O-N 3.1Å; F8-V10 PolarHBondContact O-N 3.45Å; F8-V11 PolarHBondContact O-N 2.99Å; F8-L12 HydrophobicContact CD1-CD1 3.7Å; F8-L12 HydrophobicContact CD1-CG 4.5Å; F8-L12 HydrophobicContact CE1-CD1 3.24Å; F8-L12 HydrophobicContact CE1-CG 4.25Å; F8-L12 HydrophobicContact CE2-CD1 4.37Å; F8-L12 HydrophobicContact CG-CD1 4.45Å; F8-L12 HydrophobicContact CZ-CD1 3.63Å; F8-L12 HydrophobicContact CZ-CG 4.32Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.3Å; F8-L12 PolarHBondContact O-N 3.38Å; F8-I392 HydrophobicContact CD2-CD1 4.4Å; F8-I392 HydrophobicContact CE2-CD1 4.26Å
9	W	63.2	Low	52	Low	152 Å²	152	81.4 Å²	81.4	58%	0.576	45%	0.454	S	S	*	.	H	α-helix	trans	-66.1	-37.4	175.9	-76.7	111.3	0	0	0	112.7	V5 C6 L12 L13	V5-W9 PolarHBondContact O-N 3.09Å; C6-W9 PolarHBondContact O-N 3.39Å; W9-L12 PolarHBondContact O-N 3.41Å; W9-L13 WeakPolarHBondContact O-CB 3.32Å; W9-L13 WeakPolarHBondContact O-CD1 3.4Å; W9-L13 WeakPolarHBondContact O-CG 3.26Å; W9-L13 PolarHBondContact O-N 3.41Å
10	V	63.1	Low	51.8	Low	55 Å²	55	78.3 Å²	78.3	33%	0.333	44%	0.438	S	S	.	.	H	α-helix	trans	-65.8	-42.1	175.9	168.8	0	0	0	0	110.6	C6 V7 F8 L13 L14 I439	C6-V10 VanDerWaalsContact O-CB 3.24Å; C6-V10 WeakPolarHBondContact O-CB 3.39Å; C6-V10 WeakPolarHBondContact O-CG2 3.47Å; C6-V10 PolarHBondContact O-N 3.1Å; V7-V10 PolarHBondContact O-N 2.9Å; F8-V10 PolarHBondContact O-N 3.45Å; V10-L13 PolarHBondContact O-N 3.02Å; V10-L14 HydrophobicContact CG1-CD1 3.42Å; V10-L14 VanDerWaalsContact CG1-CD1 3.42Å; V10-L14 HydrophobicContact CG1-CG 4.19Å; V10-L14 WeakPolarHBondContact O-CB 3.15Å; V10-L14 WeakPolarHBondContact O-CD1 3.41Å; V10-L14 WeakPolarHBondContact O-CG 3.43Å; V10-L14 PolarHBondContact O-N 2.93Å; V10-I439 HydrophobicContact CG1-CD1 3.72Å; V10-I439 HydrophobicContact CG1-CG1 4.45Å
11	V	59	Low	52.5	Low	8 Å²	8	77.6 Å²	77.6	5%	0.048	43%	0.429	C	S	.	.	H	α-helix	trans	-63.4	-43.5	174.9	171.4	0	0	0	0	111.2	V7 F8 L14 C15 I392 I395	V7-V11 HydrophobicContact CG1-CG2 4.24Å; V7-V11 WeakPolarHBondContact O-CB 3.39Å; V7-V11 WeakPolarHBondContact O-CG2 3.27Å; V7-V11 PolarHBondContact O-N 3.43Å; F8-V11 PolarHBondContact O-N 2.99Å; V11-L14 PolarHBondContact O-N 2.76Å; V11-C15 WeakPolarHBondContact O-CB 3.33Å; V11-C15 PolarHBondContact O-N 3.13Å; V11-C15 PolarHBondContact O-SG 2.71Å; V11-C15 VanDerWaalsContact O-SG 3.41Å; V11-I392 HydrophobicContact CG1-CG1 4.41Å; V11-I395 HydrophobicContact CG2-CD1 3.27Å
12	L	59.8	Low	53.8	Low	72 Å²	72	69.8 Å²	69.8	38%	0.377	39%	0.389	S	S	.	.	H	α-helix	trans	-67.3	-40.5	177.5	-74.4	176.8	0	0	0	113	F8 W9 L14	F8-L12 HydrophobicContact CD1-CD1 3.7Å; F8-L12 HydrophobicContact CD1-CG 4.5Å; F8-L12 HydrophobicContact CE1-CD1 3.24Å; F8-L12 HydrophobicContact CE1-CG 4.25Å; F8-L12 HydrophobicContact CE2-CD1 4.37Å; F8-L12 HydrophobicContact CG-CD1 4.45Å; F8-L12 HydrophobicContact CZ-CD1 3.63Å; F8-L12 HydrophobicContact CZ-CG 4.32Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.3Å; F8-L12 PolarHBondContact O-N 3.38Å; W9-L12 PolarHBondContact O-N 3.41Å; L12-L14 VanDerWaalsContact C-N 3.33Å
13	L	60	Low	54.9	Low	140 Å²	140	64.8 Å²	64.8	73%	0.733	36%	0.361	S	S	*	.	H	α-helix	trans	-73.2	-26.7	178.2	-73.1	168.7	0	0	0	112.5	W9 V10	W9-L13 WeakPolarHBondContact O-CB 3.32Å; W9-L13 WeakPolarHBondContact O-CD1 3.4Å; W9-L13 WeakPolarHBondContact O-CG 3.26Å; W9-L13 PolarHBondContact O-N 3.41Å; V10-L13 PolarHBondContact O-N 3.02Å
14	L	56.2	Low	56.2	Low	55 Å²	55	62.4 Å²	62.4	29%	0.288	35%	0.349	S	S	.	.	H	α-helix	trans	-86.8	-22.8	176.6	-67.4	171.8	0	0	0	112.9	V10 V11 L12 G16 I439 I443	V10-L14 HydrophobicContact CG1-CD1 3.42Å; V10-L14 VanDerWaalsContact CG1-CD1 3.42Å; V10-L14 HydrophobicContact CG1-CG 4.19Å; V10-L14 WeakPolarHBondContact O-CB 3.15Å; V10-L14 WeakPolarHBondContact O-CD1 3.41Å; V10-L14 WeakPolarHBondContact O-CG 3.43Å; V10-L14 PolarHBondContact O-N 2.93Å; V11-L14 PolarHBondContact O-N 2.76Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L14-G16 PolarHBondContact O-N 3.29Å; L14-I439 HydrophobicContact CD1-CG2 3.4Å; L14-I443 HydrophobicContact CD1-CD1 4.15Å; L14-I443 HydrophobicContact CD2-CD1 4.09Å
15	C	50.4	Low	58	Low	33 Å²	33	58 Å²	58	22%	0.223	32%	0.318	C	S	.	.			trans	-69.1	74	164.6	-81.5	0	0	0	0	110.1	V11 L18	V11-C15 WeakPolarHBondContact O-CB 3.33Å; V11-C15 PolarHBondContact O-N 3.13Å; V11-C15 PolarHBondContact O-SG 2.71Å; V11-C15 VanDerWaalsContact O-SG 3.41Å; C15-L18 HydrophobicContact CB-CD2 4.33Å
16	G	49.2	Very low	59.4	Low	38 Å²	38	58.9 Å²	58.9	39%	0.392	32%	0.321	S	S	.	.			trans	-63.6	171	153.9	0	0	0	0	0	110.3	L14 L18	L14-G16 PolarHBondContact O-N 3.29Å; G16-L18 WeakPolarHBondContact O-CD2 3.39Å; G16-L18 WeakPolarHBondContact O-CG 3.45Å; G16-L18 PolarHBondContact O-N 2.96Å
17	P	39.9	Very low	60.7	Low	129 Å²	129	56.3 Å²	56.3	84%	0.838	30%	0.303	S	S	*	.	S	Bend	trans	-52.2	114.2	-179.9	21.2	-31.8	0	0	0	110.3	A19	P17-A19 PolarHBondContact O-N 3.41Å
18	L	38.2	Very low	61.9	Low	24 Å²	24	63.4 Å²	63.4	13%	0.126	33%	0.332	C	S	.	.			trans	-76	119.3	-166.2	-58.4	166.3	0	0	0	110	C15 G16 S20 H382 E384 A387 Y391 E446	C15-L18 HydrophobicContact CB-CD2 4.33Å; G16-L18 WeakPolarHBondContact O-CD2 3.39Å; G16-L18 WeakPolarHBondContact O-CG 3.45Å; G16-L18 PolarHBondContact O-N 2.96Å; L18-S20 PolarHBondContact O-N 3.26Å; L18-H382 HydrophobicContact CB-CB 4.19Å; L18-E384 HydrophobicContact CD1-CB 4.42Å; L18-E384 HydrophobicContact CD1-CG 4.33Å; L18-A387 HydrophobicContact CD1-CB 4.05Å; L18-Y391 HydrophobicContact CD2-CE2 4.48Å; L18-E446 WeakPolarHBondContact CA-OE2 3.2Å; L18-E446 WeakPolarHBondContact CB-OE2 3.39Å; L18-E446 HydrophobicContact CD2-CG 3.8Å; L18-E446 WeakPolarHBondContact CD2-OE1 3.19Å; L18-E446 WeakPolarHBondContact CD2-OE2 3.25Å
19	A	34.6	Very low	63.1	Low	37 Å²	37	64.2 Å²	64.2	31%	0.306	34%	0.341	S	S	.	.			trans	-100.2	76.4	-170	0	0	0	0	0	112.1	P17	P17-A19 PolarHBondContact O-N 3.41Å
20	S	48.1	Very low	64	Low	18 Å²	18	58.1 Å²	58.1	13%	0.126	32%	0.319	C	S	.	.				20.8	136.2	126.5	-60	0	0	0	0	120	L18 K22 H23 G380 A381 H382	L18-S20 PolarHBondContact O-N 3.26Å; S20-K22 VanDerWaalsContact CB-O 3.23Å; S20-K22 WeakPolarHBondContact CB-O 3.39Å; S20-K22 CarbonylContact O-C 3.57Å; S20-K22 PolarHBondContact O-N 3.41Å; S20-K22 VanDerWaalsContact O-O 3.12Å; S20-H23 VanDerWaalsContact O-CA 3.3Å; S20-H23 WeakPolarHBondContact O-CA 3.42Å; S20-H23 WeakPolarHBondContact O-CB 3.06Å; S20-H23 PolarHBondContact O-N 2.8Å; S20-H23 VanDerWaalsContact O-N 3.1Å; S20-G380 CarbonylContact C-O 3.53Å; S20-A381 WeakPolarHBondContact OG-CA 3.3Å; S20-A381 WeakPolarHBondContact OG-CB 3.44Å; S20-H382 PolarHBondContact OG-N 3.47Å; S20-H382 VanDerWaalsContact OG-N 3.15Å
21	R	66.6	Low	64.9	Low	65 Å²	65	57 Å²	57	25%	0.245	32%	0.319	C	S	.	.	S	Bend	trans	-52.7	-25.3	167.7	-72.6	-73.7	178.8	-148.6	-2.2	113.7	H23 Y311 I376 G380	R21-H23 PolarHBondContact O-N 3.04Å; R21-H23 PolarHBondContact O-ND1 3.48Å; R21-Y311 WeakPolarHBondContact CG-O 3.24Å; R21-I376 HydrophobicContact CG-CG2 3.69Å; R21-G380 CarbonylContact C-O 3.52Å; R21-G380 WeakPolarHBondContact CA-O 3.3Å; R21-G380 PolarHBondContact N-O 3.48Å
22	K	67.9	Low	66.1	Low	52 Å²	52	60.2 Å²	60.2	23%	0.226	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	86.6	153.3	-64.2	171.1	178.5	163.6	0	108.9	S20 M303 V304 Y311 H379 G380	S20-K22 VanDerWaalsContact CB-O 3.23Å; S20-K22 WeakPolarHBondContact CB-O 3.39Å; S20-K22 CarbonylContact O-C 3.57Å; S20-K22 PolarHBondContact O-N 3.41Å; S20-K22 VanDerWaalsContact O-O 3.12Å; K22-M303 CarbonylContact C-O 3.48Å; K22-M303 WeakPolarHBondContact CA-O 3.36Å; K22-V304 HydrophobicContact CG-CG1 4.23Å; K22-V304 HydrophobicContact CG-CG2 4.22Å; K22-Y311 HydrophobicContact CG-CE1 4.46Å; K22-H379 WeakPolarHBondContact CE-O 3.49Å; K22-H379 PolarHBondContact NZ-O 3.45Å; K22-G380 PolarHBondContact N-O 3.16Å
23	H	71.9	Confident	67.2	Low	15 Å²	15	59.3 Å²	59.3	7%	0.069	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	160.2	-170.2	54.5	-76.1	0	0	0	112.9	S20 R21 C37 K302 M303 E305 E448	S20-H23 VanDerWaalsContact O-CA 3.3Å; S20-H23 WeakPolarHBondContact O-CA 3.42Å; S20-H23 WeakPolarHBondContact O-CB 3.06Å; S20-H23 PolarHBondContact O-N 2.8Å; S20-H23 VanDerWaalsContact O-N 3.1Å; R21-H23 PolarHBondContact O-N 3.04Å; R21-H23 PolarHBondContact O-ND1 3.48Å; H23-C37 PolarHBondContact NE2-O 3.36Å; H23-K302 CarbonylContact O-C 2.97Å; H23-K302 WeakPolarHBondContact O-CA 3.41Å; H23-M303 WeakPolarHBondContact CD2-CE 3.16Å; H23-M303 PolarHBondContact N-O 2.88Å; H23-M303 VanDerWaalsContact N-O 3.13Å; H23-M303 WeakPolarHBondContact NE2-CE 3.27Å; H23-M303 PolarHBondContact O-N 2.82Å; H23-E305 IonicContact CE1-OE1 2.75Å; H23-E305 IonicContact CE1-OE2 2.83Å; H23-E448 HydrophobicContact CB-CG 4.24Å; H23-E448 WeakPolarHBondContact CB-OE1 3.43Å; H23-E448 IonicContact CD2-OE1 3.32Å; H23-E448 IonicContact CD2-OE2 2.72Å
24	I	79.6	Confident	68.2	Low	70 Å²	70	54.4 Å²	54.4	36%	0.359	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	97.5	179.4	-55.5	178.4	0	0	0	109	N26 T300 L301 K302 E448	I24-N26 PolarHBondContact O-N 2.89Å; I24-T300 HydrophobicContact CG2-CG2 3.74Å; I24-L301 CarbonylContact C-O 3.58Å; I24-L301 WeakPolarHBondContact CA-O 3.42Å; I24-K302 HydrophobicContact CG1-CB 4.16Å; I24-K302 HydrophobicContact CG1-CG 4.13Å; I24-E448 PolarHBondContact N-OE1 3.29Å; I24-E448 VanDerWaalsContact O-OE1 3.08Å
25	L	83.5	Confident	69.7	Low	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	112.9	174.7	-176.7	66.3	0	0	0	110.3	L27 V35 C37 T300 L301 M303 E448	L25-L27 HydrophobicContact CD1-CD2 3.9Å; L25-L27 HydrophobicContact CD2-CD1 4.46Å; L25-L27 HydrophobicContact CD2-CD2 4.24Å; L25-L27 HydrophobicContact CD2-CG 4.3Å; L25-L27 HydrophobicContact CG-CD2 3.99Å; L25-L27 HydrophobicContact CG-CG 4.15Å; L25-V35 HydrophobicContact CD2-CG1 4.29Å; L25-C37 HydrophobicContact CD2-CB 4.02Å; L25-T300 CarbonylContact O-C 3.6Å; L25-T300 VanDerWaalsContact O-CA 3.31Å; L25-T300 WeakPolarHBondContact O-CA 3.4Å; L25-L301 HydrophobicContact CB-CB 4.28Å; L25-L301 HydrophobicContact CD2-CD1 4.27Å; L25-L301 PolarHBondContact N-O 2.81Å; L25-L301 PolarHBondContact O-N 2.72Å; L25-M303 HydrophobicContact CB-CE 3.91Å; L25-E448 WeakPolarHBondContact CA-OE2 3.39Å; L25-E448 WeakPolarHBondContact CB-OE2 3.45Å; L25-E448 HydrophobicContact CD1-CB 4.5Å; L25-E448 WeakPolarHBondContact CD1-OE2 3.44Å; L25-E448 PolarHBondContact N-OE2 2.86Å
26	N	84.1	Confident	71.4	Confident	88 Å²	88	52.1 Å²	52.1	47%	0.471	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	102.1	175.8	-75.2	-60.8	0	0	0	110.9	I24 T300	I24-N26 PolarHBondContact O-N 2.89Å; N26-T300 WeakPolarHBondContact OD1-CB 3.27Å; N26-T300 WeakPolarHBondContact OD1-CG2 3.43Å; N26-T300 PolarHBondContact OD1-OG1 3.49Å
27	L	84	Confident	73.3	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.7	169.4	-52.2	-176.3	0	0	0	108.6	L25 D30 V35 F281 N298 L299	L25-L27 HydrophobicContact CD1-CD2 3.9Å; L25-L27 HydrophobicContact CD2-CD1 4.46Å; L25-L27 HydrophobicContact CD2-CD2 4.24Å; L25-L27 HydrophobicContact CD2-CG 4.3Å; L25-L27 HydrophobicContact CG-CD2 3.99Å; L25-L27 HydrophobicContact CG-CG 4.15Å; L27-D30 HydrophobicContact CB-CB 3.93Å; L27-V35 HydrophobicContact CD1-CB 4.27Å; L27-V35 HydrophobicContact CD1-CG1 4.09Å; L27-V35 HydrophobicContact CD1-CG2 4.12Å; L27-V35 HydrophobicContact CD2-CG1 4.15Å; L27-F281 HydrophobicContact CD1-CD1 4.12Å; L27-F281 HydrophobicContact CD1-CE1 4.4Å; L27-N298 CarbonylContact O-C 3.58Å; L27-N298 WeakPolarHBondContact O-CA 3.37Å; L27-L299 HydrophobicContact CB-CB 4.12Å; L27-L299 HydrophobicContact CD1-CB 4.24Å; L27-L299 HydrophobicContact CD1-CD2 3.99Å; L27-L299 HydrophobicContact CG-CB 4.4Å; L27-L299 PolarHBondContact N-O 3.33Å; L27-L299 PolarHBondContact O-N 2.84Å
28	K	84.2	Confident	75.6	Confident	174 Å²	174	44.4 Å²	44.4	76%	0.757	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.2	176.3	-66.3	-176	-179.3	179.9	0	109.1	D30 N298	K28-D30 PolarHBondContact O-N 3.12Å; K28-N298 WeakPolarHBondContact CA-OD1 3.49Å
29	N	82.1	Confident	77.9	Confident	116 Å²	116	47.4 Å²	47.4	62%	0.62	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	47.8	42.6	-175.6	-65.8	-25.4	0	0	0	112.7	N298	N29-N298 PolarHBondContact N-OD1 3.15Å; N29-N298 PolarHBondContact OD1-OD1 3.48Å
30	D	81.6	Confident	80.6	Confident	24 Å²	24	45.6 Å²	45.6	13%	0.128	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.1	-175.6	-159.4	-44.8	0	0	0	110.7	L27 K28 R32 S296 V297	L27-D30 HydrophobicContact CB-CB 3.93Å; K28-D30 PolarHBondContact O-N 3.12Å; D30-R32 VanDerWaalsContact OD1-CB 3.22Å; D30-R32 WeakPolarHBondContact OD1-CB 3.42Å; D30-R32 VanDerWaalsContact OD1-CG 3.29Å; D30-R32 WeakPolarHBondContact OD1-CG 3.41Å; D30-R32 PolarHBondContact OD1-N 3.07Å; D30-R32 IonicContact OD1-NE 2.99Å; D30-R32 PolarHBondContact OD1-NE 3.01Å; D30-R32 VanDerWaalsContact OD1-NE 3.16Å; D30-R32 IonicContact OD2-CZ 3.78Å; D30-R32 VanDerWaalsContact OD2-CZ 3.32Å; D30-R32 IonicContact OD2-NE 2.78Å; D30-R32 PolarHBondContact OD2-NE 3.35Å; D30-R32 IonicContact OD2-NH2 2.76Å; D30-R32 PolarHBondContact OD2-NH2 2.87Å; D30-S296 WeakPolarHBondContact O-CA 3.45Å; D30-V297 PolarHBondContact N-O 3.35Å; D30-V297 PolarHBondContact O-N 3.46Å
31	G	81.6	Confident	82.6	Confident	32 Å²	32	44.8 Å²	44.8	33%	0.33	22%	0.222	S	C	.	.			trans	-105.6	9.5	179.4	0	0	0	0	0	114
32	R	84.6	Confident	83.8	Confident	75 Å²	75	41.7 Å²	41.7	28%	0.283	21%	0.21	S	C	.	.			trans	-68	141.1	177.6	-68.3	179.9	-67.7	161.6	1	110.1	D30 S34 V35 N283 G450	D30-R32 VanDerWaalsContact OD1-CB 3.22Å; D30-R32 WeakPolarHBondContact OD1-CB 3.42Å; D30-R32 VanDerWaalsContact OD1-CG 3.29Å; D30-R32 WeakPolarHBondContact OD1-CG 3.41Å; D30-R32 PolarHBondContact OD1-N 3.07Å; D30-R32 IonicContact OD1-NE 2.99Å; D30-R32 PolarHBondContact OD1-NE 3.01Å; D30-R32 VanDerWaalsContact OD1-NE 3.16Å; D30-R32 IonicContact OD2-CZ 3.78Å; D30-R32 VanDerWaalsContact OD2-CZ 3.32Å; D30-R32 IonicContact OD2-NE 2.78Å; D30-R32 PolarHBondContact OD2-NE 3.35Å; D30-R32 IonicContact OD2-NH2 2.76Å; D30-R32 PolarHBondContact OD2-NH2 2.87Å; R32-S34 PolarHBondContact O-N 3.5Å; R32-V35 HydrophobicContact CB-CG2 4.1Å; R32-N283 WeakPolarHBondContact O-CB 3.46Å; R32-G450 VanDerWaalsContact CZ-O 3.28Å; R32-G450 PolarHBondContact NH1-O 2.94Å; R32-G450 PolarHBondContact NH2-O 3.39Å
33	K	82.1	Confident	84.8	Confident	53 Å²	53	40.2 Å²	40.2	23%	0.23	21%	0.208	C	C	.	.	S	Bend	trans	-63.2	-41.5	179.8	-177.2	-171.5	174.6	-165.2	0	112	I78 S82 H282 N283	K33-I78 PolarHBondContact NZ-O 3.29Å; K33-S82 WeakPolarHBondContact CE-O 3.27Å; K33-H282 CarbonylContact O-C 3.49Å; K33-H282 WeakPolarHBondContact O-CA 3.35Å; K33-N283 PolarHBondContact O-N 2.88Å
34	S	82.6	Confident	85.5	Confident	37 Å²	37	43.9 Å²	43.9	26%	0.259	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.4	-179.5	-167.7	0	0	0	0	110.6	R32 F281 H282	R32-S34 PolarHBondContact O-N 3.5Å; S34-F281 CarbonylContact C-O 3.55Å; S34-F281 VanDerWaalsContact CA-O 3.29Å; S34-F281 WeakPolarHBondContact CA-O 3.49Å; S34-F281 PolarHBondContact OG-O 2.81Å; S34-H282 WeakPolarHBondContact CB-ND1 3.37Å; S34-H282 PolarHBondContact OG-CE1 2.92Å; S34-H282 PolarHBondContact OG-ND1 3.25Å
35	V	86.6	Confident	85.6	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121.8	-178.9	-177.6	0	0	0	0	109.3	L25 L27 R32 C37 Y280 F281 G450	L25-V35 HydrophobicContact CD2-CG1 4.29Å; L27-V35 HydrophobicContact CD1-CB 4.27Å; L27-V35 HydrophobicContact CD1-CG1 4.09Å; L27-V35 HydrophobicContact CD1-CG2 4.12Å; L27-V35 HydrophobicContact CD2-CG1 4.15Å; R32-V35 HydrophobicContact CB-CG2 4.1Å; V35-C37 PolarHBondContact O-N 3.14Å; V35-C37 VanDerWaalsContact O-N 3.16Å; V35-Y280 WeakPolarHBondContact O-CA 3.43Å; V35-F281 HydrophobicContact CB-CB 4.43Å; V35-F281 HydrophobicContact CB-CD1 4.24Å; V35-F281 HydrophobicContact CG2-CD1 4.21Å; V35-F281 PolarHBondContact N-O 3.14Å; V35-F281 PolarHBondContact O-N 2.99Å; V35-G450 VanDerWaalsContact CG1-O 3.3Å; V35-G450 WeakPolarHBondContact CG1-O 3.44Å
36	L	86.6	Confident	85.8	Confident	38 Å²	38	44.1 Å²	44.1	20%	0.199	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	102.3	175.1	177.5	60.6	0	0	0	109.5	S38 H39 H278 Y280 A449 G450	L36-S38 VanDerWaalsContact CD1-O 3.25Å; L36-S38 WeakPolarHBondContact CD1-O 3.23Å; L36-H39 HydrophobicContact CD2-CB 4.25Å; L36-H278 HydrophobicContact CD1-CB 3.81Å; L36-Y280 HydrophobicContact CB-CD1 4.09Å; L36-Y280 HydrophobicContact CB-CE1 3.8Å; L36-Y280 HydrophobicContact CD1-CD1 4.15Å; L36-Y280 HydrophobicContact CD1-CE1 3.72Å; L36-Y280 HydrophobicContact CD1-CE2 4.19Å; L36-Y280 HydrophobicContact CG-CE1 4.29Å; L36-A449 HydrophobicContact CD2-CB 3.87Å; L36-A449 HydrophobicContact CG-CB 4.25Å; L36-G450 WeakPolarHBondContact O-CA 3.4Å; L36-G450 PolarHBondContact O-N 2.67Å
37	C	88	Confident	85.9	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-45.1	-177.1	-60.7	0	0	0	0	112.1	H23 L25 V35 L279 F281 L301 M303	H23-C37 PolarHBondContact NE2-O 3.36Å; L25-C37 HydrophobicContact CD2-CB 4.02Å; V35-C37 PolarHBondContact O-N 3.14Å; V35-C37 VanDerWaalsContact O-N 3.16Å; C37-L279 WeakPolarHBondContact CA-O 3.36Å; C37-L279 HydrophobicContact CB-CB 4.38Å; C37-L279 HydrophobicContact CB-CD2 4.09Å; C37-L279 HydrophobicContact CB-CG 4.14Å; C37-L279 WeakPolarHBondContact CB-O 3.26Å; C37-L279 PolarHBondContact N-O 3.46Å; C37-F281 WeakPolarHBondContact SG-CB 3.44Å; C37-L301 HydrophobicContact CB-CD1 3.89Å; C37-L301 VanDerWaalsContact SG-CD1 3.56Å; C37-M303 HydrophobicContact CB-CE 4.17Å; C37-M303 HydrophobicContact CB-SD 4.02Å; C37-M303 WeakPolarHBondContact O-CE 3.43Å
38	S	88.5	Confident	86.1	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.8	-178	146.8	0	0	0	0	110.4	L36 H278 L279 E305	L36-S38 VanDerWaalsContact CD1-O 3.25Å; L36-S38 WeakPolarHBondContact CD1-O 3.23Å; S38-H278 WeakPolarHBondContact O-CA 3.27Å; S38-L279 PolarHBondContact N-O 3.32Å; S38-L279 PolarHBondContact O-N 3.41Å; S38-E305 WeakPolarHBondContact CB-OE1 3.36Å; S38-E305 PolarHBondContact OG-OE1 3.32Å
39	H	87.1	Confident	86.2	Confident	86 Å²	86	34.2 Å²	34.2	40%	0.398	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	98.5	179.4	176.2	86.7	0	0	0	108.9	L36 H278	L36-H39 HydrophobicContact CD2-CB 4.25Å; H39-H278 AromaticContact CE1-CD2 3.89Å; H39-H278 AromaticContact CE1-NE2 3.21Å; H39-H278 PolarHBondContact CE1-NE2 3.46Å; H39-H278 AromaticContact ND1-CD2 3.14Å; H39-H278 PolarHBondContact ND1-CD2 2.94Å; H39-H278 AromaticContact ND1-CE1 3.84Å; H39-H278 AromaticContact ND1-NE2 2.9Å; H39-H278 PolarHBondContact ND1-NE2 2.9Å
40	F	90.6	Very high	86.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.7	-168.6	-164.9	-90	0	0	0	113.5	F42 Y277 E305 N307 Y311 L312 S313	F40-F42 HydrophobicContact CB-CD2 4.47Å; F40-F42 HydrophobicContact CB-CE2 3.79Å; F40-F42 HydrophobicContact CB-CZ 3.84Å; F40-F42 AromaticContact CD1-CD1 3.61Å; F40-F42 HydrophobicContact CD1-CD1 3.61Å; F40-F42 HydrophobicContact CD1-CD2 4.03Å; F40-F42 AromaticContact CD1-CE1 3.37Å; F40-F42 HydrophobicContact CD1-CE1 3.37Å; F40-F42 AromaticContact CD1-CE2 3.85Å; F40-F42 HydrophobicContact CD1-CE2 3.85Å; F40-F42 AromaticContact CD1-CG 3.92Å; F40-F42 HydrophobicContact CD1-CG 3.92Å; F40-F42 AromaticContact CD1-CZ 3.49Å; F40-F42 HydrophobicContact CD1-CZ 3.49Å; F40-F42 VanDerWaalsContact CD1-CZ 3.49Å; F40-F42 AromaticContact CE1-CD1 3.88Å; F40-F42 HydrophobicContact CE1-CD1 3.88Å; F40-F42 AromaticContact CE1-CE1 3.78Å; F40-F42 HydrophobicContact CE1-CE1 3.78Å; F40-F42 HydrophobicContact CE1-CG 4.5Å; F40-F42 HydrophobicContact CE1-CZ 4.32Å; F40-F42 HydrophobicContact CG-CE1 4.25Å; F40-F42 HydrophobicContact CG-CE2 4.27Å; F40-F42 AromaticContact CG-CZ 3.97Å; F40-F42 HydrophobicContact CG-CZ 3.97Å; F40-F42 WeakPolarHBondContact O-CD2 3.36Å; F40-Y277 PolarHBondContact N-O 3.34Å; F40-Y277 VanDerWaalsContact N-O 3.1Å; F40-Y277 PolarHBondContact O-N 3.4Å; F40-E305 HydrophobicContact CB-CB 4.46Å; F40-E305 HydrophobicContact CB-CG 4.19Å; F40-E305 WeakPolarHBondContact CB-OE1 3.32Å; F40-E305 HydrophobicContact CD1-CB 4.11Å; F40-E305 HydrophobicContact CD2-CB 3.59Å; F40-E305 HydrophobicContact CD2-CG 4.04Å; F40-E305 VanDerWaalsContact CD2-OE2 3.22Å; F40-E305 WeakPolarHBondContact CD2-OE2 3.34Å; F40-E305 HydrophobicContact CE1-CB 4.15Å; F40-E305 HydrophobicContact CE2-CB 3.64Å; F40-E305 HydrophobicContact CG-CB 3.81Å; F40-E305 HydrophobicContact CG-CG 4.08Å; F40-E305 HydrophobicContact CZ-CB 3.92Å; F40-N307 VanDerWaalsContact CE1-ND2 3.27Å; F40-N307 WeakPolarHBondContact CE1-ND2 3.41Å; F40-Y311 WeakPolarHBondContact CE2-O 3.29Å; F40-L312 WeakPolarHBondContact CZ-O 3.28Å; F40-S313 VanDerWaalsContact CE2-CA 3.5Å; F40-S313 VanDerWaalsContact CZ-CA 3.48Å; F40-S313 VanDerWaalsContact CZ-N 3.34Å
41	G	91.3	Very high	86.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	107.3	175.1	0	0	0	0	0	110.7	G275 N307 S313 A314	G41-G275 CarbonylContact C-O 3.53Å; G41-G275 WeakPolarHBondContact CA-O 2.9Å; G41-N307 PolarHBondContact O-ND2 3.31Å; G41-S313 WeakPolarHBondContact CA-OG 3.22Å; G41-S313 PolarHBondContact N-OG 3.39Å; G41-A314 WeakPolarHBondContact O-CB 3.02Å; G41-A314 PolarHBondContact O-N 3.13Å
42	F	91.2	Very high	87.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.6	179.9	-70.4	-72.5	0	0	0	110.6	F40 S46 F47 L48 F268 E274 G275 Y277 E305 N307	F40-F42 HydrophobicContact CB-CD2 4.47Å; F40-F42 HydrophobicContact CB-CE2 3.79Å; F40-F42 HydrophobicContact CB-CZ 3.84Å; F40-F42 AromaticContact CD1-CD1 3.61Å; F40-F42 HydrophobicContact CD1-CD1 3.61Å; F40-F42 HydrophobicContact CD1-CD2 4.03Å; F40-F42 AromaticContact CD1-CE1 3.37Å; F40-F42 HydrophobicContact CD1-CE1 3.37Å; F40-F42 AromaticContact CD1-CE2 3.85Å; F40-F42 HydrophobicContact CD1-CE2 3.85Å; F40-F42 AromaticContact CD1-CG 3.92Å; F40-F42 HydrophobicContact CD1-CG 3.92Å; F40-F42 AromaticContact CD1-CZ 3.49Å; F40-F42 HydrophobicContact CD1-CZ 3.49Å; F40-F42 VanDerWaalsContact CD1-CZ 3.49Å; F40-F42 AromaticContact CE1-CD1 3.88Å; F40-F42 HydrophobicContact CE1-CD1 3.88Å; F40-F42 AromaticContact CE1-CE1 3.78Å; F40-F42 HydrophobicContact CE1-CE1 3.78Å; F40-F42 HydrophobicContact CE1-CG 4.5Å; F40-F42 HydrophobicContact CE1-CZ 4.32Å; F40-F42 HydrophobicContact CG-CE1 4.25Å; F40-F42 HydrophobicContact CG-CE2 4.27Å; F40-F42 AromaticContact CG-CZ 3.97Å; F40-F42 HydrophobicContact CG-CZ 3.97Å; F40-F42 WeakPolarHBondContact O-CD2 3.36Å; F42-S46 VanDerWaalsContact CB-OG 3.31Å; F42-S46 WeakPolarHBondContact CB-OG 3.43Å; F42-S46 WeakPolarHBondContact CD1-OG 3.25Å; F42-F47 WeakPolarHBondContact CE1-O 3.46Å; F42-L48 HydrophobicContact CE1-CB 3.99Å; F42-L48 HydrophobicContact CE2-CB 4.36Å; F42-L48 HydrophobicContact CZ-CB 3.6Å; F42-L48 HydrophobicContact CZ-CD1 4.3Å; F42-L48 HydrophobicContact CZ-CD2 4.4Å; F42-L48 HydrophobicContact CZ-CG 4.3Å; F42-F268 HydrophobicContact CB-CB 4.45Å; F42-F268 HydrophobicContact CB-CD1 4.39Å; F42-F268 HydrophobicContact CB-CD2 3.6Å; F42-F268 HydrophobicContact CB-CE2 3.87Å; F42-F268 HydrophobicContact CB-CG 3.89Å; F42-F268 HydrophobicContact CB-CZ 4.38Å; F42-F268 AromaticContact CD1-CD2 3.67Å; F42-F268 HydrophobicContact CD1-CD2 3.67Å; F42-F268 AromaticContact CD1-CE2 3.57Å; F42-F268 HydrophobicContact CD1-CE2 3.57Å; F42-F268 HydrophobicContact CD2-CD2 4.14Å; F42-F268 AromaticContact CD2-CE2 3.49Å; F42-F268 HydrophobicContact CD2-CE2 3.49Å; F42-F268 VanDerWaalsContact CD2-CE2 3.49Å; F42-F268 AromaticContact CD2-CZ 3.7Å; F42-F268 HydrophobicContact CD2-CZ 3.7Å; F42-F268 HydrophobicContact CE1-CD2 4.43Å; F42-F268 AromaticContact CE1-CE2 3.97Å; F42-F268 HydrophobicContact CE1-CE2 3.97Å; F42-F268 AromaticContact CE2-CE2 3.89Å; F42-F268 HydrophobicContact CE2-CE2 3.89Å; F42-F268 HydrophobicContact CE2-CZ 4.13Å; F42-F268 AromaticContact CG-CD2 3.52Å; F42-F268 HydrophobicContact CG-CD2 3.52Å; F42-F268 AromaticContact CG-CE2 3.32Å; F42-F268 HydrophobicContact CG-CE2 3.32Å; F42-F268 HydrophobicContact CG-CG 4.27Å; F42-F268 AromaticContact CG-CZ 3.96Å; F42-F268 HydrophobicContact CG-CZ 3.96Å; F42-F268 HydrophobicContact CZ-CE2 4.13Å; F42-E274 WeakPolarHBondContact O-CA 3.39Å; F42-G275 PolarHBondContact N-O 2.87Å; F42-G275 PolarHBondContact O-N 3.29Å; F42-G275 VanDerWaalsContact O-N 3.09Å; F42-Y277 HydrophobicContact CB-CD2 4.26Å; F42-Y277 AromaticContact CD2-CD2 3.77Å; F42-Y277 HydrophobicContact CD2-CD2 3.77Å; F42-Y277 HydrophobicContact CD2-CG 4.16Å; F42-Y277 HydrophobicContact CG-CD2 4.49Å; F42-E305 HydrophobicContact CE1-CB 4.43Å; F42-E305 HydrophobicContact CZ-CB 4.4Å; F42-E305 HydrophobicContact CZ-CG 4.26Å; F42-N307 WeakPolarHBondContact CA-OD1 3.35Å
43	A	89.1	Confident	87.3	Confident	22 Å²	22	27.7 Å²	27.7	18%	0.182	14%	0.14	C	C	.	.			trans	-92.7	175.6	171.4	0	0	0	0	0	110.9	S46 N307	A43-S46 WeakPolarHBondContact O-CB 3.46Å; A43-S46 PolarHBondContact O-N 3.11Å; A43-S46 PolarHBondContact O-OG 3.01Å; A43-N307 PolarHBondContact N-OD1 3.36Å
44	K	86.7	Confident	87.6	Confident	92 Å²	92	28.9 Å²	28.9	40%	0.4	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	143.8	170.9	-170.6	-163.6	172.2	-173.4	0	111.2	S46 L269 T271 E274 V308	K44-S46 PolarHBondContact O-N 3.08Å; K44-L269 WeakPolarHBondContact CE-O 3.39Å; K44-L269 WeakPolarHBondContact CG-O 3.44Å; K44-T271 HydrophobicContact CB-CG2 4.33Å; K44-T271 HydrophobicContact CD-CG2 4.08Å; K44-T271 HydrophobicContact CG-CG2 4.43Å; K44-E274 VanDerWaalsContact CB-OE1 3.26Å; K44-E274 WeakPolarHBondContact CB-OE1 3.43Å; K44-E274 PolarHBondContact N-OE1 2.92Å; K44-V308 WeakPolarHBondContact O-CG2 3.23Å
45	D	82.5	Confident	88	Confident	75 Å²	75	27.1 Å²	27.1	40%	0.401	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	27.2	178.4	-61.2	-55.4	0	0	0	113.7	F268 V308	D45-F268 WeakPolarHBondContact CA-O 3.13Å; D45-F268 PolarHBondContact N-O 2.44Å; D45-V308 HydrophobicContact CB-CG2 3.67Å
46	S	86.8	Confident	88	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	167.7	176.5	69.8	0	0	0	0	112.4	F42 A43 K44 F268 K306 N307	F42-S46 VanDerWaalsContact CB-OG 3.31Å; F42-S46 WeakPolarHBondContact CB-OG 3.43Å; F42-S46 WeakPolarHBondContact CD1-OG 3.25Å; A43-S46 WeakPolarHBondContact O-CB 3.46Å; A43-S46 PolarHBondContact O-N 3.11Å; A43-S46 PolarHBondContact O-OG 3.01Å; K44-S46 PolarHBondContact O-N 3.08Å; S46-F268 PolarHBondContact N-O 3.15Å; S46-F268 PolarHBondContact O-N 3.14Å; S46-K306 WeakPolarHBondContact CA-O 3.24Å; S46-K306 VanDerWaalsContact CB-O 3.23Å; S46-K306 WeakPolarHBondContact CB-O 3.42Å; S46-N307 WeakPolarHBondContact CB-OD1 3.5Å
47	F	86.3	Confident	87.5	Confident	48 Å²	48	29.5 Å²	29.5	21%	0.211	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.9	177.5	68.4	-90.8	0	0	0	114	F42 S49 T265 V266 R267 V304 K306	F42-F47 WeakPolarHBondContact CE1-O 3.46Å; F47-S49 WeakPolarHBondContact CD2-OG 3.48Å; F47-T265 HydrophobicContact CB-CG2 3.93Å; F47-T265 HydrophobicContact CD2-CG2 4.11Å; F47-T265 HydrophobicContact CG-CG2 4.36Å; F47-V266 CarbonylContact C-O 3.45Å; F47-V266 WeakPolarHBondContact CA-O 3.12Å; F47-V266 WeakPolarHBondContact CB-O 3.5Å; F47-R267 HydrophobicContact CB-CG 4.18Å; F47-V304 HydrophobicContact CE2-CG1 4.37Å; F47-K306 HydrophobicContact CD1-CB 4.27Å; F47-K306 HydrophobicContact CE1-CB 3.74Å; F47-K306 HydrophobicContact CE1-CD 3.75Å; F47-K306 HydrophobicContact CE1-CG 4.03Å; F47-K306 HydrophobicContact CE2-CB 4.17Å; F47-K306 HydrophobicContact CZ-CB 3.68Å; F47-K306 HydrophobicContact CZ-CD 3.7Å; F47-K306 HydrophobicContact CZ-CG 4.2Å; F47-K306 PolarHBondContact N-O 3.37Å; F47-K306 PolarHBondContact O-N 3.28Å
48	L	89.1	Confident	87	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.1	170	171.4	61.4	0	0	0	108.9	F42 V50 L66 T265 V266 F268 V304 E305	F42-L48 HydrophobicContact CE1-CB 3.99Å; F42-L48 HydrophobicContact CE2-CB 4.36Å; F42-L48 HydrophobicContact CZ-CB 3.6Å; F42-L48 HydrophobicContact CZ-CD1 4.3Å; F42-L48 HydrophobicContact CZ-CD2 4.4Å; F42-L48 HydrophobicContact CZ-CG 4.3Å; L48-V50 HydrophobicContact CD1-CG2 4.15Å; L48-V50 HydrophobicContact CD2-CG2 4.22Å; L48-V50 HydrophobicContact CG-CG2 3.9Å; L48-L66 HydrophobicContact CD2-CD1 4.29Å; L48-T265 CarbonylContact O-C 3.59Å; L48-T265 WeakPolarHBondContact O-CA 3.37Å; L48-V266 HydrophobicContact CB-CB 4.33Å; L48-V266 PolarHBondContact N-O 3.23Å; L48-V266 PolarHBondContact O-N 3.48Å; L48-F268 HydrophobicContact CB-CE2 4.43Å; L48-V304 WeakPolarHBondContact CA-O 3.42Å; L48-E305 HydrophobicContact CD1-CG 3.77Å
49	S	86.3	Confident	86.6	Confident	12 Å²	12	31.1 Å²	31.1	8%	0.084	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.2	171.2	-57.6	0	0	0	0	110.3	F47 T265 M303 V304	F47-S49 WeakPolarHBondContact CD2-OG 3.48Å; S49-T265 WeakPolarHBondContact CB-OG1 3.41Å; S49-T265 PolarHBondContact OG-OG1 2.94Å; S49-M303 CarbonylContact O-C 3.52Å; S49-M303 VanDerWaalsContact O-CA 3.26Å; S49-M303 WeakPolarHBondContact O-CA 3.46Å; S49-V304 PolarHBondContact N-O 3.44Å; S49-V304 PolarHBondContact O-N 3.5Å
50	V	88.6	Confident	86.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.5	179.8	-174.4	0	0	0	0	109.1	L48 N263 F264 L279 L301 M303	L48-V50 HydrophobicContact CD1-CG2 4.15Å; L48-V50 HydrophobicContact CD2-CG2 4.22Å; L48-V50 HydrophobicContact CG-CG2 3.9Å; V50-N263 WeakPolarHBondContact O-CA 3.12Å; V50-F264 HydrophobicContact CB-CD1 4.19Å; V50-F264 HydrophobicContact CB-CD2 4.28Å; V50-F264 HydrophobicContact CB-CE1 3.7Å; V50-F264 HydrophobicContact CB-CE2 3.79Å; V50-F264 HydrophobicContact CB-CG 4.47Å; V50-F264 HydrophobicContact CB-CZ 3.48Å; V50-F264 VanDerWaalsContact CB-CZ 3.48Å; V50-F264 HydrophobicContact CG1-CE1 3.8Å; V50-F264 HydrophobicContact CG1-CZ 3.76Å; V50-F264 HydrophobicContact CG2-CD2 4.42Å; V50-F264 HydrophobicContact CG2-CE1 4.4Å; V50-F264 HydrophobicContact CG2-CE2 3.67Å; V50-F264 HydrophobicContact CG2-CZ 3.67Å; V50-F264 PolarHBondContact N-O 3.4Å; V50-F264 PolarHBondContact O-N 3.19Å; V50-L279 HydrophobicContact CG1-CD2 4.4Å; V50-L279 HydrophobicContact CG2-CD2 3.85Å; V50-L301 HydrophobicContact CG1-CD2 4.25Å; V50-M303 HydrophobicContact CG1-CG 4.19Å; V50-M303 HydrophobicContact CG2-CG 4.25Å
51	F	87.6	Confident	85.6	Confident	14 Å²	14	35.5 Å²	35.5	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	103.8	178.3	-53.7	-84.7	0	0	0	108.3	Q53 L124 N263 L301 K302 V304	F51-Q53 PolarHBondContact O-N 3.45Å; F51-Q53 VanDerWaalsContact O-N 3.15Å; F51-L124 HydrophobicContact CD1-CD1 4.2Å; F51-L124 HydrophobicContact CE1-CB 4.42Å; F51-L124 HydrophobicContact CE1-CD1 3.25Å; F51-L124 HydrophobicContact CE1-CG 4.41Å; F51-L124 HydrophobicContact CE2-CD1 3.85Å; F51-L124 HydrophobicContact CZ-CD1 3.05Å; F51-L124 HydrophobicContact CZ-CG 4.49Å; F51-N263 HydrophobicContact CD1-CB 3.87Å; F51-N263 WeakPolarHBondContact CD1-OD1 3.48Å; F51-N263 HydrophobicContact CE1-CB 4.18Å; F51-L301 CarbonylContact O-C 3.48Å; F51-L301 WeakPolarHBondContact O-CA 3.4Å; F51-K302 HydrophobicContact CB-CB 4.12Å; F51-K302 HydrophobicContact CD2-CB 4.45Å; F51-K302 HydrophobicContact CD2-CG 4.31Å; F51-K302 WeakPolarHBondContact CD2-O 3.41Å; F51-K302 PolarHBondContact N-O 3.16Å; F51-K302 PolarHBondContact O-N 3.06Å; F51-V304 HydrophobicContact CE2-CG2 4.31Å
52	I	89.2	Confident	85.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	98.7	170.7	-50.8	-175	0	0	0	106	L55 F64 F98 S261 A262 L299 L301	I52-L55 HydrophobicContact CG2-CB 3.77Å; I52-F64 HydrophobicContact CD1-CE2 3.85Å; I52-F64 HydrophobicContact CD1-CZ 4.05Å; I52-F98 HydrophobicContact CD1-CZ 3.96Å; I52-S261 WeakPolarHBondContact O-CA 3.47Å; I52-S261 WeakPolarHBondContact O-CB 3.11Å; I52-A262 HydrophobicContact CB-CB 4.4Å; I52-A262 WeakPolarHBondContact CB-O 3.46Å; I52-A262 HydrophobicContact CD1-CB 4.26Å; I52-A262 PolarHBondContact N-O 3.39Å; I52-A262 PolarHBondContact O-N 2.97Å; I52-A262 VanDerWaalsContact O-N 3.12Å; I52-L299 HydrophobicContact CG2-CD1 4Å; I52-L301 HydrophobicContact CB-CD2 4.24Å; I52-L301 HydrophobicContact CG1-CD2 3.7Å; I52-L301 HydrophobicContact CG2-CD2 4.37Å
53	Q	86.8	Confident	85.3	Confident	97 Å²	97	35.5 Å²	35.5	45%	0.453	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-37.5	-178.8	-66.5	-172.9	-42.3	0	0	111.6	F51 T300 K302	F51-Q53 PolarHBondContact O-N 3.45Å; F51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-T300 HydrophobicContact CB-CG2 4.03Å; Q53-T300 PolarHBondContact N-O 3.43Å; Q53-T300 VanDerWaalsContact OE1-CG2 3.3Å; Q53-K302 HydrophobicContact CG-CB 4.47Å
54	K	88.6	Confident	85.3	Confident	77 Å²	77	34.5 Å²	34.5	34%	0.335	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	118	-178.3	178.4	172.1	-178.4	168.5	0	109.1	E56 V259 L299 T300	K54-E56 WeakPolarHBondContact CE-OE1 3.35Å; K54-E56 WeakPolarHBondContact CE-OE2 3.43Å; K54-E56 HydrophobicContact CG-CG 4.45Å; K54-E56 VanDerWaalsContact NZ-CD 3.31Å; K54-E56 IonicContact NZ-OE1 3.15Å; K54-E56 PolarHBondContact NZ-OE1 3.38Å; K54-E56 IonicContact NZ-OE2 3.48Å; K54-E56 PolarHBondContact NZ-OE2 3.33Å; K54-V259 HydrophobicContact CB-CG1 4.05Å; K54-V259 HydrophobicContact CG-CG1 3.73Å; K54-L299 CarbonylContact O-C 3.6Å; K54-L299 VanDerWaalsContact O-CA 3.25Å; K54-L299 WeakPolarHBondContact O-CA 3.09Å; K54-T300 PolarHBondContact N-O 3.08Å; K54-T300 PolarHBondContact O-N 2.82Å
55	L	89.7	Confident	85.4	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.9	167.1	173.2	64.6	0	0	0	109.4	I52 L59 I62 F98 I260 V297 N298 L299	I52-L55 HydrophobicContact CG2-CB 3.77Å; L55-L59 HydrophobicContact CD2-CD2 4Å; L55-I62 HydrophobicContact CD1-CD1 3.67Å; L55-I62 HydrophobicContact CD2-CD1 4.33Å; L55-I62 HydrophobicContact CD2-CG2 4.33Å; L55-I62 HydrophobicContact CG-CD1 4.3Å; L55-F98 HydrophobicContact CD2-CE1 4.13Å; L55-F98 HydrophobicContact CD2-CE2 3.93Å; L55-F98 HydrophobicContact CD2-CZ 3.59Å; L55-I260 HydrophobicContact CB-CB 4.16Å; L55-I260 PolarHBondContact N-O 3.19Å; L55-I260 PolarHBondContact O-N 2.72Å; L55-V297 HydrophobicContact CD1-CG1 3.77Å; L55-N298 WeakPolarHBondContact CA-O 3.26Å; L55-L299 HydrophobicContact CB-CD1 4Å; L55-L299 HydrophobicContact CD1-CB 4.36Å; L55-L299 HydrophobicContact CD1-CD1 3.72Å; L55-L299 HydrophobicContact CG-CD1 4.36Å
56	E	86.8	Confident	85.7	Confident	56 Å²	56	26.6 Å²	26.6	26%	0.262	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.4	173.5	-60.2	170.8	165.3	0	0	108.8	K54 V259 V297 N298	K54-E56 WeakPolarHBondContact CE-OE1 3.35Å; K54-E56 WeakPolarHBondContact CE-OE2 3.43Å; K54-E56 HydrophobicContact CG-CG 4.45Å; K54-E56 VanDerWaalsContact NZ-CD 3.31Å; K54-E56 IonicContact NZ-OE1 3.15Å; K54-E56 PolarHBondContact NZ-OE1 3.38Å; K54-E56 IonicContact NZ-OE2 3.48Å; K54-E56 PolarHBondContact NZ-OE2 3.33Å; E56-V259 HydrophobicContact CG-CG2 3.94Å; E56-V297 WeakPolarHBondContact O-CG1 3.42Å; E56-N298 HydrophobicContact CB-CB 4.18Å; E56-N298 PolarHBondContact N-O 3.09Å; E56-N298 PolarHBondContact O-N 3.3Å; E56-N298 PolarHBondContact OE2-ND2 3.01Å
57	G	77.6	Confident	85.6	Confident	34 Å²	34	26.8 Å²	26.8	35%	0.351	14%	0.138	S	C	.	.	S	Bend	trans	160.6	173.2	178.5	0	0	0	0	0	112.4	L59	G57-L59 PolarHBondContact O-N 3.41Å
58	G	77.6	Confident	85.6	Confident	26 Å²	26	26.8 Å²	26.8	27%	0.268	14%	0.138	S	C	.	.			trans	-69.8	99.5	174.9	0	0	0	0	0	111.1	Q60 Y61	G58-Q60 PolarHBondContact O-N 3.2Å; G58-Y61 WeakPolarHBondContact O-CB 3.03Å; G58-Y61 PolarHBondContact O-N 2.93Å
59	L	79.6	Confident	85.1	Confident	12 Å²	12	28.7 Å²	28.7	6%	0.063	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-47.8	-31	-179.6	-78	179.2	0	0	0	115.4	L55 G57 Y61 I62 F98 K100 I260	L55-L59 HydrophobicContact CD2-CD2 4Å; G57-L59 PolarHBondContact O-N 3.41Å; L59-Y61 PolarHBondContact O-N 3.42Å; L59-I62 PolarHBondContact O-N 3.36Å; L59-F98 HydrophobicContact CB-CB 4.08Å; L59-F98 HydrophobicContact CD1-CB 4.19Å; L59-F98 HydrophobicContact CD2-CB 3.69Å; L59-F98 HydrophobicContact CD2-CD1 3.61Å; L59-F98 HydrophobicContact CD2-CD2 3.87Å; L59-F98 HydrophobicContact CD2-CE1 4.16Å; L59-F98 HydrophobicContact CD2-CE2 4.4Å; L59-F98 HydrophobicContact CD2-CG 3.44Å; L59-F98 VanDerWaalsContact CD2-CG 3.44Å; L59-F98 HydrophobicContact CG-CB 4.21Å; L59-F98 HydrophobicContact CG-CG 4.46Å; L59-K100 HydrophobicContact CB-CG 4.41Å; L59-K100 HydrophobicContact CD1-CG 3.9Å; L59-I260 HydrophobicContact CD1-CD1 3.44Å; L59-I260 VanDerWaalsContact CD1-CD1 3.44Å; L59-I260 HydrophobicContact CD2-CD1 3.2Å; L59-I260 HydrophobicContact CG-CD1 3.36Å
60	Q	76.7	Confident	84.3	Confident	88 Å²	88	32 Å²	32	41%	0.411	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-66.6	-15.4	178.4	67.7	-148.7	36.2	0	0	113.8	G58	G58-Q60 PolarHBondContact O-N 3.2Å
61	Y	80	Confident	83.1	Confident	90 Å²	90	35.1 Å²	35.1	35%	0.353	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-108.1	8.7	179.7	-54.1	-61.4	0	0	0	112.4	G58 L59 N283 C284 A285	G58-Y61 WeakPolarHBondContact O-CB 3.03Å; G58-Y61 PolarHBondContact O-N 2.93Å; L59-Y61 PolarHBondContact O-N 3.42Å; Y61-N283 CarbonylContact O-C 3.48Å; Y61-N283 WeakPolarHBondContact O-CA 3.43Å; Y61-C284 PolarHBondContact O-N 2.89Å; Y61-A285 HydrophobicContact CD2-CB 4.43Å; Y61-A285 HydrophobicContact CG-CB 4.13Å
62	I	86.7	Confident	81.6	Confident	1 Å²	1	39 Å²	39	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.2	-172.9	-63.8	175.7	0	0	0	109.6	L55 L59 F64 F98 F281 H282 V297	L55-I62 HydrophobicContact CD1-CD1 3.67Å; L55-I62 HydrophobicContact CD2-CD1 4.33Å; L55-I62 HydrophobicContact CD2-CG2 4.33Å; L55-I62 HydrophobicContact CG-CD1 4.3Å; L59-I62 PolarHBondContact O-N 3.36Å; I62-F64 HydrophobicContact CG2-CE2 4.46Å; I62-F98 HydrophobicContact CG2-CD2 4.26Å; I62-F98 HydrophobicContact CG2-CE2 3.91Å; I62-F281 HydrophobicContact CB-CE2 4.46Å; I62-F281 HydrophobicContact CG1-CE2 4.37Å; I62-F281 HydrophobicContact CG1-CZ 4.42Å; I62-F281 HydrophobicContact CG2-CD2 4.14Å; I62-F281 HydrophobicContact CG2-CE2 3.45Å; I62-F281 VanDerWaalsContact CG2-CE2 3.45Å; I62-F281 HydrophobicContact CG2-CZ 4.28Å; I62-H282 WeakPolarHBondContact CA-O 3.25Å; I62-V297 HydrophobicContact CD1-CG1 4.02Å; I62-V297 HydrophobicContact CD1-CG2 4.2Å
63	T	88.6	Confident	80.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.5	172.8	53.9	0	0	0	0	110.6	C85 L96 H282	T63-C85 HydrophobicContact CG2-CB 3.88Å; T63-L96 WeakPolarHBondContact CA-O 3.14Å; T63-L96 WeakPolarHBondContact CB-O 3.36Å; T63-H282 PolarHBondContact N-O 2.85Å; T63-H282 PolarHBondContact O-N 3.17Å
64	F	89.8	Confident	79	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.1	167.5	-65.4	-94.2	0	0	0	109.6	I52 I62 Y95 L96 F98 L279 Y280 F281 L299 L301	I52-F64 HydrophobicContact CD1-CE2 3.85Å; I52-F64 HydrophobicContact CD1-CZ 4.05Å; I62-F64 HydrophobicContact CG2-CE2 4.46Å; F64-Y95 CarbonylContact O-C 3.51Å; F64-Y95 VanDerWaalsContact O-CA 3.29Å; F64-Y95 WeakPolarHBondContact O-CA 3.3Å; F64-L96 HydrophobicContact CB-CB 4.25Å; F64-L96 HydrophobicContact CB-CD1 4.31Å; F64-L96 PolarHBondContact N-O 3.34Å; F64-L96 PolarHBondContact O-N 3.14Å; F64-F98 HydrophobicContact CD2-CE2 4.13Å; F64-F98 AromaticContact CE2-CE2 3.82Å; F64-F98 HydrophobicContact CE2-CE2 3.82Å; F64-F98 HydrophobicContact CE2-CZ 4.03Å; F64-L279 HydrophobicContact CB-CD1 4.37Å; F64-L279 HydrophobicContact CD1-CD1 4.46Å; F64-Y280 CarbonylContact C-O 3.52Å; F64-Y280 WeakPolarHBondContact CA-O 3.18Å; F64-F281 HydrophobicContact CD1-CB 4.08Å; F64-F281 HydrophobicContact CD1-CD2 4.37Å; F64-F281 HydrophobicContact CE1-CB 3.83Å; F64-F281 AromaticContact CE1-CD2 3.73Å; F64-F281 HydrophobicContact CE1-CD2 3.73Å; F64-F281 HydrophobicContact CE1-CG 4.27Å; F64-F281 HydrophobicContact CE2-CD2 4.3Å; F64-F281 AromaticContact CZ-CD2 3.69Å; F64-F281 HydrophobicContact CZ-CD2 3.69Å; F64-F281 HydrophobicContact CZ-CE2 4.44Å; F64-L299 HydrophobicContact CE1-CD2 4.31Å; F64-L299 HydrophobicContact CZ-CD1 4.37Å; F64-L299 HydrophobicContact CZ-CD2 4.16Å; F64-L301 HydrophobicContact CE1-CD1 4.02Å; F64-L301 HydrophobicContact CE1-CD2 4.27Å; F64-L301 HydrophobicContact CZ-CD2 4.17Å
65	T	88.9	Confident	77.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138	170.3	60.3	0	0	0	0	109.6	V74 F86 F93 I94 L279 Y280 H282	T65-V74 HydrophobicContact CG2-CG1 4.32Å; T65-F86 HydrophobicContact CG2-CD2 3.74Å; T65-F86 HydrophobicContact CG2-CE2 3.55Å; T65-F86 HydrophobicContact CG2-CZ 4.29Å; T65-F93 HydrophobicContact CG2-CD2 4.35Å; T65-F93 HydrophobicContact CG2-CE2 3.88Å; T65-I94 WeakPolarHBondContact CA-O 3.39Å; T65-L279 WeakPolarHBondContact O-CA 3.36Å; T65-Y280 PolarHBondContact N-O 2.93Å; T65-Y280 PolarHBondContact O-N 3.42Å; T65-H282 WeakPolarHBondContact CG2-NE2 3.44Å; T65-H282 PolarHBondContact OG1-NE2 2.9Å
66	L	88.7	Confident	76.4	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.1	169.8	-177.2	68.6	0	0	0	107.5	L48 I94 V117 F119 V266 F268 Y277 H278 L279	L48-L66 HydrophobicContact CD2-CD1 4.29Å; L66-I94 HydrophobicContact CB-CB 4.32Å; L66-I94 HydrophobicContact CB-CG2 4.45Å; L66-I94 HydrophobicContact CD2-CD1 4.41Å; L66-I94 PolarHBondContact N-O 2.78Å; L66-V117 HydrophobicContact CD2-CG1 4.31Å; L66-F119 HydrophobicContact CD2-CZ 4.24Å; L66-V266 HydrophobicContact CD2-CG1 3.86Å; L66-V266 HydrophobicContact CD2-CG2 4.34Å; L66-F268 HydrophobicContact CD2-CZ 4.42Å; L66-Y277 HydrophobicContact CD1-CD1 4.25Å; L66-Y277 HydrophobicContact CD2-CD1 4.42Å; L66-Y277 HydrophobicContact CG-CD1 4.05Å; L66-H278 WeakPolarHBondContact CA-O 3.49Å; L66-L279 HydrophobicContact CD1-CB 4.46Å
67	D	84.6	Confident	75.3	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.4	-175.2	-173.3	25.3	0	0	0	110.7	V74 Y277 H278	D67-V74 HydrophobicContact CB-CB 4.02Å; D67-V74 HydrophobicContact CB-CG1 4.4Å; D67-V74 HydrophobicContact CB-CG2 3.77Å; D67-V74 VanDerWaalsContact OD1-CG2 3.23Å; D67-V74 WeakPolarHBondContact OD1-CG2 3.25Å; D67-V74 WeakPolarHBondContact OD2-CB 3.42Å; D67-Y277 CarbonylContact O-C 3.55Å; D67-Y277 WeakPolarHBondContact O-CA 3.33Å; D67-H278 PolarHBondContact N-O 3.31Å; D67-H278 PolarHBondContact O-N 3.11Å
68	K	86.5	Confident	74.7	Confident	48 Å²	48	36.6 Å²	36.6	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.6	173.7	-172.1	-178.8	-174.6	174.4	0	108.8	G70 D71 Y114 S272 E274 L276 Y277	K68-G70 PolarHBondContact O-N 3.27Å; K68-D71 PolarHBondContact O-N 3.17Å; K68-Y114 HydrophobicContact CB-CE1 3.85Å; K68-Y114 WeakPolarHBondContact CB-OH 3.25Å; K68-Y114 HydrophobicContact CD-CE1 4.48Å; K68-S272 PolarHBondContact NZ-O 3.42Å; K68-S272 VanDerWaalsContact NZ-O 3.08Å; K68-E274 WeakPolarHBondContact CE-O 3.35Å; K68-E274 PolarHBondContact NZ-O 3.34Å; K68-L276 CarbonylContact C-O 3.53Å; K68-L276 WeakPolarHBondContact CA-O 3.39Å; K68-Y277 HydrophobicContact CB-CD1 4.05Å; K68-Y277 HydrophobicContact CB-CE1 3.76Å; K68-Y277 HydrophobicContact CD-CE1 4.35Å; K68-Y277 HydrophobicContact CD-CE2 4.44Å; K68-Y277 HydrophobicContact CG-CE1 4.07Å; K68-Y277 HydrophobicContact CG-CE2 4.21Å
69	A	79.2	Confident	74.1	Confident	42 Å²	42	42.4 Å²	42.4	35%	0.347	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	126.4	-179.5	0	0	0	0	0	110.9	L276	A69-L276 HydrophobicContact CB-CB 3.87Å; A69-L276 HydrophobicContact CB-CD2 3.78Å; A69-L276 HydrophobicContact CB-CG 3.93Å; A69-L276 PolarHBondContact N-O 2.88Å
70	G	68.1	Low	73.3	Confident	82 Å²	82	45.9 Å²	45.9	85%	0.845	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.6	-25.3	-172	0	0	0	0	0	112.9	K68 S72	K68-G70 PolarHBondContact O-N 3.27Å; G70-S72 PolarHBondContact O-N 3.31Å
71	D	64.9	Low	72.6	Confident	65 Å²	65	45.5 Å²	45.5	35%	0.348	28%	0.281	S	S	.	.			trans	-82.7	103.9	164.8	-96.4	-22	0	0	0	108.7	K68 G73 Y114	K68-D71 PolarHBondContact O-N 3.17Å; D71-G73 PolarHBondContact O-N 3.41Å; D71-Y114 PolarHBondContact OD2-OH 3.46Å
72	S	54.3	Low	71.5	Confident	95 Å²	95	44 Å²	44	66%	0.664	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-0.1	-176.9	54.9	0	0	0	0	114.2	G70 S76	G70-S72 PolarHBondContact O-N 3.31Å; S72-S76 WeakPolarHBondContact O-CB 2.97Å; S72-S76 PolarHBondContact O-N 3.12Å; S72-S76 PolarHBondContact O-OG 3.43Å
73	G	59.2	Low	70.2	Confident	35 Å²	35	48.2 Å²	48.2	36%	0.361	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-49.9	-171.8	0	0	0	0	0	113.2	D71 S76 L77	D71-G73 PolarHBondContact O-N 3.41Å; G73-S76 PolarHBondContact O-OG 3.48Å; G73-L77 WeakPolarHBondContact O-CB 3.48Å; G73-L77 PolarHBondContact O-N 3.18Å
74	V	62.4	Low	68.9	Low	1 Å²	1	51.4 Å²	51.4	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-76.1	-46.7	-167.8	-166.9	0	0	0	0	111.4	T65 D67 L77 I78 F93	T65-V74 HydrophobicContact CG2-CG1 4.32Å; D67-V74 HydrophobicContact CB-CB 4.02Å; D67-V74 HydrophobicContact CB-CG1 4.4Å; D67-V74 HydrophobicContact CB-CG2 3.77Å; D67-V74 VanDerWaalsContact OD1-CG2 3.23Å; D67-V74 WeakPolarHBondContact OD1-CG2 3.25Å; D67-V74 WeakPolarHBondContact OD2-CB 3.42Å; V74-L77 PolarHBondContact O-N 3.44Å; V74-I78 HydrophobicContact CG1-CD1 3.65Å; V74-I78 HydrophobicContact CG1-CG1 4.13Å; V74-I78 WeakPolarHBondContact O-CB 3.38Å; V74-I78 WeakPolarHBondContact O-CD1 3.39Å; V74-I78 WeakPolarHBondContact O-CG1 3.42Å; V74-I78 PolarHBondContact O-N 3.32Å; V74-F93 HydrophobicContact CG1-CD2 4.34Å; V74-F93 HydrophobicContact CG1-CE2 4.28Å; V74-F93 HydrophobicContact CG2-CB 3.53Å; V74-F93 HydrophobicContact CG2-CD1 3.75Å; V74-F93 HydrophobicContact CG2-CD2 3.71Å; V74-F93 HydrophobicContact CG2-CE1 4.34Å; V74-F93 HydrophobicContact CG2-CE2 4.32Å; V74-F93 HydrophobicContact CG2-CG 3.4Å
75	T	62.6	Low	67.8	Low	62 Å²	62	51.9 Å²	51.9	38%	0.38	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-47	-178.3	-57.4	0	0	0	0	111.8	L77 I78 E79	T75-L77 VanDerWaalsContact C-N 3.31Å; T75-L77 PolarHBondContact O-N 3.46Å; T75-I78 PolarHBondContact O-N 3.41Å; T75-E79 WeakPolarHBondContact O-CG 3.28Å; T75-E79 PolarHBondContact O-N 2.83Å; T75-E79 VanDerWaalsContact O-N 3.12Å
76	S	62.1	Low	66.9	Low	64 Å²	64	52.4 Å²	52.4	45%	0.448	33%	0.334	S	S	.	.	H	α-helix	trans	-65.8	-33.8	177.3	65.1	0	0	0	0	112.6	S72 G73 S80	S72-S76 WeakPolarHBondContact O-CB 2.97Å; S72-S76 PolarHBondContact O-N 3.12Å; S72-S76 PolarHBondContact O-OG 3.43Å; G73-S76 PolarHBondContact O-OG 3.48Å; S76-S80 PolarHBondContact O-N 2.85Å; S76-S80 PolarHBondContact O-OG 3.46Å; S76-S80 VanDerWaalsContact O-OG 3.12Å
77	L	64.4	Low	65.7	Low	31 Å²	31	58.5 Å²	58.5	16%	0.162	36%	0.357	C	S	.	.	H	α-helix	trans	-75.4	-38.4	177.9	-170.4	77.6	0	0	0	112.6	G73 V74 T75 E79 S80 K81 F86 F91 F93	G73-L77 WeakPolarHBondContact O-CB 3.48Å; G73-L77 PolarHBondContact O-N 3.18Å; V74-L77 PolarHBondContact O-N 3.44Å; T75-L77 VanDerWaalsContact C-N 3.31Å; T75-L77 PolarHBondContact O-N 3.46Å; L77-E79 PolarHBondContact O-N 3.38Å; L77-S80 WeakPolarHBondContact CA-OG 3.27Å; L77-S80 PolarHBondContact O-N 3.04Å; L77-S80 PolarHBondContact O-OG 2.95Å; L77-S80 VanDerWaalsContact O-OG 3.11Å; L77-K81 HydrophobicContact CD1-CD 4.15Å; L77-K81 HydrophobicContact CD1-CG 4.38Å; L77-K81 HydrophobicContact CG-CD 4.47Å; L77-K81 PolarHBondContact O-N 3.32Å; L77-F86 HydrophobicContact CD2-CD1 4.24Å; L77-F86 HydrophobicContact CD2-CE1 3.84Å; L77-F86 HydrophobicContact CG-CE1 4.41Å; L77-F91 HydrophobicContact CD1-CE1 4.01Å; L77-F91 HydrophobicContact CD2-CD1 3.35Å; L77-F91 HydrophobicContact CD2-CE1 3.22Å; L77-F91 HydrophobicContact CD2-CG 4.18Å; L77-F91 HydrophobicContact CD2-CZ 3.93Å; L77-F91 HydrophobicContact CG-CE1 4.15Å; L77-F93 HydrophobicContact CD2-CE1 3.43Å; L77-F93 VanDerWaalsContact CD2-CE1 3.43Å; L77-F93 HydrophobicContact CD2-CZ 3.66Å
78	I	64	Low	64.7	Low	22 Å²	22	61.8 Å²	61.8	11%	0.113	38%	0.375	C	S	.	.	H	α-helix	trans	-58	-43.2	172.3	-70.3	158.3	0	0	0	109.3	K33 V74 T75 F86 H282	K33-I78 PolarHBondContact NZ-O 3.29Å; V74-I78 HydrophobicContact CG1-CD1 3.65Å; V74-I78 HydrophobicContact CG1-CG1 4.13Å; V74-I78 WeakPolarHBondContact O-CB 3.38Å; V74-I78 WeakPolarHBondContact O-CD1 3.39Å; V74-I78 WeakPolarHBondContact O-CG1 3.42Å; V74-I78 PolarHBondContact O-N 3.32Å; T75-I78 PolarHBondContact O-N 3.41Å; I78-F86 HydrophobicContact CG1-CZ 3.8Å; I78-H282 WeakPolarHBondContact CD1-CE1 3.45Å
79	E	64	Low	63.5	Low	148 Å²	148	66.8 Å²	66.8	69%	0.692	40%	0.396	S	S	*	.	H	α-helix	trans	-66.3	-42.2	178.6	-74	-179.4	173.9	0	0	112.2	T75 L77	T75-E79 WeakPolarHBondContact O-CG 3.28Å; T75-E79 PolarHBondContact O-N 2.83Å; T75-E79 VanDerWaalsContact O-N 3.12Å; L77-E79 PolarHBondContact O-N 3.38Å
80	S	63.6	Low	62.7	Low	85 Å²	85	68.3 Å²	68.3	59%	0.594	41%	0.405	S	S	*	.	H	α-helix	trans	-75.6	-36.3	-177.4	60.2	0	0	0	0	114.8	S76 L77 S82	S76-S80 PolarHBondContact O-N 2.85Å; S76-S80 PolarHBondContact O-OG 3.46Å; S76-S80 VanDerWaalsContact O-OG 3.12Å; L77-S80 WeakPolarHBondContact CA-OG 3.27Å; L77-S80 PolarHBondContact O-N 3.04Å; L77-S80 PolarHBondContact O-OG 2.95Å; L77-S80 VanDerWaalsContact O-OG 3.11Å; S80-S82 PolarHBondContact O-N 2.86Å
81	K	62.9	Low	62.7	Low	79 Å²	79	65.2 Å²	65.2	34%	0.343	37%	0.368	S	S	.	.			trans	-97.5	85.9	178.8	-68.9	-170.9	176.5	-174.6	0	110.1	L77 N83 F91	L77-K81 HydrophobicContact CD1-CD 4.15Å; L77-K81 HydrophobicContact CD1-CG 4.38Å; L77-K81 HydrophobicContact CG-CD 4.47Å; L77-K81 PolarHBondContact O-N 3.32Å; K81-N83 PolarHBondContact O-N 2.9Å; K81-F91 HydrophobicContact CD-CE1 4.45Å; K81-F91 HydrophobicContact CD-CZ 4.11Å; K81-F91 VanDerWaalsContact NZ-CZ 3.32Å
82	S	56	Low	63	Low	60 Å²	60	69.9 Å²	69.9	42%	0.42	39%	0.385	S	S	.	.	S	Bend	trans	-72.9	-25.9	-168.4	68.5	0	0	0	0	115.7	K33 S80	K33-S82 WeakPolarHBondContact CE-O 3.27Å; S80-S82 PolarHBondContact O-N 2.86Å
83	N	59.1	Low	64.1	Low	88 Å²	88	65.7 Å²	65.7	47%	0.471	36%	0.355	S	S	.	.	S	Bend	trans	-134.9	10.7	-166.2	-67.8	-18.7	0	0	0	115	K81	K81-N83 PolarHBondContact O-N 2.9Å
84	S	61	Low	65.4	Low	68 Å²	68	64 Å²	64	48%	0.476	34%	0.338	S	S	.	.			trans	-126.1	130.2	176.6	54.5	0	0	0	0	111.4
85	C	67.8	Low	66.6	Low	10 Å²	10	64 Å²	64	7%	0.068	34%	0.338	C	S	.	.			trans	-67	157.7	170	-97.4	0	0	0	0	111	T63 W87 C284	T63-C85 HydrophobicContact CG2-CB 3.88Å; C85-W87 VanDerWaalsContact CB-NE1 3.33Å; C85-W87 PolarHBondContact O-N 3.05Å; C85-W87 VanDerWaalsContact O-N 3.11Å; C85-C284 WeakPolarHBondContact CA-SG 3.22Å; C85-C284 HydrophobicContact CB-CB 3.75Å; C85-C284 WeakPolarHBondContact CB-SG 3.25Å; C85-C284 WeakPolarHBondContact SG-CB 3.41Å; C85-C284 CovalentContact SG-SG 2.03Å; C85-C284 PolarHBondContact SG-SG 3.09Å
86	F	69.9	Low	67.8	Low	11 Å²	11	61.1 Å²	61.1	5%	0.048	32%	0.32	C	S	.	.	S	Bend	trans	-71.3	105.9	-179.6	-51.5	-74.7	0	0	0	110	T65 L77 I78 F91 F93 Y95 H282	T65-F86 HydrophobicContact CG2-CD2 3.74Å; T65-F86 HydrophobicContact CG2-CE2 3.55Å; T65-F86 HydrophobicContact CG2-CZ 4.29Å; L77-F86 HydrophobicContact CD2-CD1 4.24Å; L77-F86 HydrophobicContact CD2-CE1 3.84Å; L77-F86 HydrophobicContact CG-CE1 4.41Å; I78-F86 HydrophobicContact CG1-CZ 3.8Å; F86-F91 HydrophobicContact CB-CD2 4.16Å; F86-F91 HydrophobicContact CB-CE2 4Å; F86-F91 HydrophobicContact CD1-CD2 4.11Å; F86-F91 AromaticContact CD1-CE2 3.75Å; F86-F91 HydrophobicContact CD1-CE2 3.75Å; F86-F91 HydrophobicContact CD1-CZ 4.12Å; F86-F91 HydrophobicContact CG-CE2 4.38Å; F86-F93 HydrophobicContact CD1-CE2 4.16Å; F86-F93 AromaticContact CD1-CZ 3.66Å; F86-F93 HydrophobicContact CD1-CZ 3.66Å; F86-F93 HydrophobicContact CE1-CE2 4.33Å; F86-F93 AromaticContact CE1-CZ 3.76Å; F86-F93 HydrophobicContact CE1-CZ 3.76Å; F86-F93 HydrophobicContact CG-CE2 4.34Å; F86-F93 HydrophobicContact CG-CZ 4.27Å; F86-F93 HydrophobicContact CZ-CZ 4.44Å; F86-Y95 HydrophobicContact CB-CD1 4.42Å; F86-Y95 HydrophobicContact CB-CD2 3.82Å; F86-Y95 HydrophobicContact CB-CE2 4.11Å; F86-Y95 HydrophobicContact CB-CG 3.98Å; F86-Y95 WeakPolarHBondContact O-CE2 3.5Å; F86-H282 AromaticContact CE2-CD2 3.68Å; F86-H282 AromaticContact CE2-NE2 3.91Å
87	W	62.6	Low	69.1	Low	129 Å²	129	58.3 Å²	58.3	49%	0.489	30%	0.3	S	S	.	.			trans	-125.8	-0.9	175.6	-60	106.3	0	0	0	112.7	C85	C85-W87 VanDerWaalsContact CB-NE1 3.33Å; C85-W87 PolarHBondContact O-N 3.05Å; C85-W87 VanDerWaalsContact O-N 3.11Å
88	D	63.8	Low	70.2	Confident	73 Å²	73	57 Å²	57	39%	0.39	29%	0.293	S	S	.	.			trans	-93.8	133.5	-175.3	-168.7	-6.7	0	0	0	110.2	S90 F91 Y95	D88-S90 PolarHBondContact O-N 3.3Å; D88-S90 WeakPolarHBondContact OD1-CB 3.38Å; D88-S90 PolarHBondContact OD1-N 3.29Å; D88-S90 PolarHBondContact OD1-OG 3Å; D88-S90 PolarHBondContact OD2-OG 2.8Å; D88-F91 HydrophobicContact CB-CD2 4Å; D88-F91 HydrophobicContact CB-CE2 3.55Å; D88-F91 HydrophobicContact CB-CZ 3.92Å; D88-F91 WeakPolarHBondContact O-CD2 3.48Å; D88-Y95 PolarHBondContact O-OH 3.16Å
89	K	60.9	Low	71.2	Confident	152 Å²	152	57.9 Å²	57.9	66%	0.661	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-10	175.4	-64.3	-177.5	-179.7	179.1	0	112.3	F91	K89-F91 PolarHBondContact O-N 3.02Å
90	S	63.6	Low	72.1	Confident	75 Å²	75	56.1 Å²	56.1	52%	0.524	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.2	178.7	72	0	0	0	0	114.2	D88	D88-S90 PolarHBondContact O-N 3.3Å; D88-S90 WeakPolarHBondContact OD1-CB 3.38Å; D88-S90 PolarHBondContact OD1-N 3.29Å; D88-S90 PolarHBondContact OD1-OG 3Å; D88-S90 PolarHBondContact OD2-OG 2.8Å
91	F	67.7	Low	73	Confident	17 Å²	17	57.2 Å²	57.2	8%	0.075	30%	0.296	C	S	.	.			trans	-75.4	128.6	-176.1	-63.3	-44.6	0	0	0	112.8	L77 K81 F86 D88 K89 F93 Y95	L77-F91 HydrophobicContact CD1-CE1 4.01Å; L77-F91 HydrophobicContact CD2-CD1 3.35Å; L77-F91 HydrophobicContact CD2-CE1 3.22Å; L77-F91 HydrophobicContact CD2-CG 4.18Å; L77-F91 HydrophobicContact CD2-CZ 3.93Å; L77-F91 HydrophobicContact CG-CE1 4.15Å; K81-F91 HydrophobicContact CD-CE1 4.45Å; K81-F91 HydrophobicContact CD-CZ 4.11Å; K81-F91 VanDerWaalsContact NZ-CZ 3.32Å; F86-F91 HydrophobicContact CB-CD2 4.16Å; F86-F91 HydrophobicContact CB-CE2 4Å; F86-F91 HydrophobicContact CD1-CD2 4.11Å; F86-F91 AromaticContact CD1-CE2 3.75Å; F86-F91 HydrophobicContact CD1-CE2 3.75Å; F86-F91 HydrophobicContact CD1-CZ 4.12Å; F86-F91 HydrophobicContact CG-CE2 4.38Å; D88-F91 HydrophobicContact CB-CD2 4Å; D88-F91 HydrophobicContact CB-CE2 3.55Å; D88-F91 HydrophobicContact CB-CZ 3.92Å; D88-F91 WeakPolarHBondContact O-CD2 3.48Å; K89-F91 PolarHBondContact O-N 3.02Å; F91-F93 HydrophobicContact CB-CD1 3.96Å; F91-F93 HydrophobicContact CB-CE1 3.49Å; F91-F93 VanDerWaalsContact CB-CE1 3.49Å; F91-F93 HydrophobicContact CB-CZ 3.8Å; F91-F93 AromaticContact CD1-CE1 3.93Å; F91-F93 HydrophobicContact CD1-CE1 3.93Å; F91-F93 HydrophobicContact CD1-CZ 4.25Å; F91-F93 HydrophobicContact CD2-CZ 4.21Å; F91-F93 AromaticContact CG-CE1 3.76Å; F91-F93 HydrophobicContact CG-CE1 3.76Å; F91-F93 AromaticContact CG-CZ 3.83Å; F91-F93 HydrophobicContact CG-CZ 3.83Å; F91-F93 PolarHBondContact O-N 3.34Å; F91-Y95 HydrophobicContact CB-CE1 4.34Å; F91-Y95 HydrophobicContact CD2-CE1 4.19Å
92	K	71.6	Confident	73.7	Confident	163 Å²	163	55.8 Å²	55.8	71%	0.709	30%	0.295	S	S	*	.	S	Bend	trans	-94	56.8	177.2	-63.5	-174	179.2	-176.9	0	111.7	D111	K92-D111 HydrophobicContact CB-CB 4.36Å
93	F	77.9	Confident	75	Confident	7 Å²	7	58.8 Å²	58.8	3%	0.031	30%	0.301	C	S	.	.	S	Bend	trans	-161.1	167.1	172.8	56.8	-91.7	0	0	0	109.4	T65 V74 L77 F86 F91 Y95	T65-F93 HydrophobicContact CG2-CD2 4.35Å; T65-F93 HydrophobicContact CG2-CE2 3.88Å; V74-F93 HydrophobicContact CG1-CD2 4.34Å; V74-F93 HydrophobicContact CG1-CE2 4.28Å; V74-F93 HydrophobicContact CG2-CB 3.53Å; V74-F93 HydrophobicContact CG2-CD1 3.75Å; V74-F93 HydrophobicContact CG2-CD2 3.71Å; V74-F93 HydrophobicContact CG2-CE1 4.34Å; V74-F93 HydrophobicContact CG2-CE2 4.32Å; V74-F93 HydrophobicContact CG2-CG 3.4Å; L77-F93 HydrophobicContact CD2-CE1 3.43Å; L77-F93 VanDerWaalsContact CD2-CE1 3.43Å; L77-F93 HydrophobicContact CD2-CZ 3.66Å; F86-F93 HydrophobicContact CD1-CE2 4.16Å; F86-F93 AromaticContact CD1-CZ 3.66Å; F86-F93 HydrophobicContact CD1-CZ 3.66Å; F86-F93 HydrophobicContact CE1-CE2 4.33Å; F86-F93 AromaticContact CE1-CZ 3.76Å; F86-F93 HydrophobicContact CE1-CZ 3.76Å; F86-F93 HydrophobicContact CG-CE2 4.34Å; F86-F93 HydrophobicContact CG-CZ 4.27Å; F86-F93 HydrophobicContact CZ-CZ 4.44Å; F91-F93 HydrophobicContact CB-CD1 3.96Å; F91-F93 HydrophobicContact CB-CE1 3.49Å; F91-F93 VanDerWaalsContact CB-CE1 3.49Å; F91-F93 HydrophobicContact CB-CZ 3.8Å; F91-F93 AromaticContact CD1-CE1 3.93Å; F91-F93 HydrophobicContact CD1-CE1 3.93Å; F91-F93 HydrophobicContact CD1-CZ 4.25Å; F91-F93 HydrophobicContact CD2-CZ 4.21Å; F91-F93 AromaticContact CG-CE1 3.76Å; F91-F93 HydrophobicContact CG-CE1 3.76Å; F91-F93 AromaticContact CG-CZ 3.83Å; F91-F93 HydrophobicContact CG-CZ 3.83Å; F91-F93 PolarHBondContact O-N 3.34Å; F93-Y95 HydrophobicContact CE2-CD1 4.25Å
94	I	85.7	Confident	76.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.2	-179.5	-58.1	163.7	0	0	0	110.5	T65 L66 L96 I107 H108 N109 Y114 V117 F119	T65-I94 WeakPolarHBondContact CA-O 3.39Å; L66-I94 HydrophobicContact CB-CB 4.32Å; L66-I94 HydrophobicContact CB-CG2 4.45Å; L66-I94 HydrophobicContact CD2-CD1 4.41Å; L66-I94 PolarHBondContact N-O 2.78Å; I94-L96 HydrophobicContact CG2-CD1 4.39Å; I94-I107 HydrophobicContact CG2-CG2 4.25Å; I94-H108 WeakPolarHBondContact CA-O 3.45Å; I94-N109 HydrophobicContact CG1-CB 4.19Å; I94-Y114 HydrophobicContact CD1-CD1 3.77Å; I94-Y114 HydrophobicContact CD1-CG 3.95Å; I94-Y114 HydrophobicContact CG1-CD1 4.35Å; I94-Y114 HydrophobicContact CG1-CG 4.19Å; I94-V117 HydrophobicContact CD1-CB 4.05Å; I94-V117 HydrophobicContact CD1-CG1 3.8Å; I94-V117 HydrophobicContact CD1-CG2 4.47Å; I94-F119 HydrophobicContact CD1-CE2 4.22Å; I94-F119 HydrophobicContact CG2-CE2 3.86Å; I94-F119 HydrophobicContact CG2-CZ 3.6Å
95	Y	87.2	Confident	77.3	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.8	170.5	70.9	-87.9	0	0	0	112.1	F64 F86 D88 F91 F93 H108	F64-Y95 CarbonylContact O-C 3.51Å; F64-Y95 VanDerWaalsContact O-CA 3.29Å; F64-Y95 WeakPolarHBondContact O-CA 3.3Å; F86-Y95 HydrophobicContact CB-CD1 4.42Å; F86-Y95 HydrophobicContact CB-CD2 3.82Å; F86-Y95 HydrophobicContact CB-CE2 4.11Å; F86-Y95 HydrophobicContact CB-CG 3.98Å; F86-Y95 WeakPolarHBondContact O-CE2 3.5Å; D88-Y95 PolarHBondContact O-OH 3.16Å; F91-Y95 HydrophobicContact CB-CE1 4.34Å; F91-Y95 HydrophobicContact CD2-CE1 4.19Å; F93-Y95 HydrophobicContact CE2-CD1 4.25Å; Y95-H108 HydrophobicContact CD1-CB 3.79Å; Y95-H108 HydrophobicContact CD2-CB 4.13Å; Y95-H108 AromaticContact CD2-CD2 3.6Å; Y95-H108 HydrophobicContact CE1-CB 3.44Å; Y95-H108 VanDerWaalsContact CE1-CB 3.44Å; Y95-H108 AromaticContact CE1-CG 3.97Å; Y95-H108 HydrophobicContact CE2-CB 3.8Å; Y95-H108 AromaticContact CE2-CD2 3.13Å; Y95-H108 WeakPolarHBondContact CE2-CD2 3.43Å; Y95-H108 AromaticContact CE2-CG 3.47Å; Y95-H108 VanDerWaalsContact CE2-CG 3.47Å; Y95-H108 AromaticContact CE2-NE2 3.68Å; Y95-H108 HydrophobicContact CG-CB 4.13Å; Y95-H108 VanDerWaalsContact CZ-CB 3.45Å; Y95-H108 AromaticContact CZ-CD2 3.62Å; Y95-H108 AromaticContact CZ-CG 3.4Å; Y95-H108 VanDerWaalsContact CZ-CG 3.4Å; Y95-H108 AromaticContact CZ-ND1 3.94Å; Y95-H108 PolarHBondContact N-O 3.14Å; Y95-H108 PolarHBondContact O-N 3.37Å
96	L	89.1	Confident	78.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.7	178.5	-59.4	80.9	0	0	0	109.1	T63 F64 I94 L105 V106 I107 F119 F264	T63-L96 WeakPolarHBondContact CA-O 3.14Å; T63-L96 WeakPolarHBondContact CB-O 3.36Å; F64-L96 HydrophobicContact CB-CB 4.25Å; F64-L96 HydrophobicContact CB-CD1 4.31Å; F64-L96 PolarHBondContact N-O 3.34Å; F64-L96 PolarHBondContact O-N 3.14Å; I94-L96 HydrophobicContact CG2-CD1 4.39Å; L96-L105 HydrophobicContact CB-CD1 3.84Å; L96-L105 HydrophobicContact CB-CG 4.21Å; L96-L105 HydrophobicContact CD2-CD1 4.45Å; L96-L105 HydrophobicContact CD2-CD2 3.7Å; L96-L105 HydrophobicContact CD2-CG 4.03Å; L96-V106 VanDerWaalsContact CA-O 3.31Å; L96-V106 WeakPolarHBondContact CA-O 3.43Å; L96-I107 HydrophobicContact CD2-CG1 3.9Å; L96-I107 HydrophobicContact CG-CG1 4.01Å; L96-F119 HydrophobicContact CD1-CE1 4.23Å; L96-F119 HydrophobicContact CD1-CZ 4.48Å; L96-F119 HydrophobicContact CD2-CE1 4.16Å; L96-F264 HydrophobicContact CD2-CE1 4.17Å; L96-F264 HydrophobicContact CD2-CE2 4.18Å; L96-F264 HydrophobicContact CD2-CZ 3.97Å
97	S	88.2	Confident	79.1	Confident	4 Å²	4	51 Å²	51	3%	0.028	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.8	-178.5	66.2	0	0	0	0	110.4	V106 H108	S97-V106 PolarHBondContact N-O 3.14Å; S97-V106 PolarHBondContact O-N 2.87Å; S97-H108 PolarHBondContact OG-NE2 3.1Å
98	F	87.6	Confident	80.2	Confident	5 Å²	5	46 Å²	46	2%	0.022	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	120	176.6	-69.5	-93.4	0	0	0	110.7	I52 L55 L59 I62 F64 L105 Y253 I260	I52-F98 HydrophobicContact CD1-CZ 3.96Å; L55-F98 HydrophobicContact CD2-CE1 4.13Å; L55-F98 HydrophobicContact CD2-CE2 3.93Å; L55-F98 HydrophobicContact CD2-CZ 3.59Å; L59-F98 HydrophobicContact CB-CB 4.08Å; L59-F98 HydrophobicContact CD1-CB 4.19Å; L59-F98 HydrophobicContact CD2-CB 3.69Å; L59-F98 HydrophobicContact CD2-CD1 3.61Å; L59-F98 HydrophobicContact CD2-CD2 3.87Å; L59-F98 HydrophobicContact CD2-CE1 4.16Å; L59-F98 HydrophobicContact CD2-CE2 4.4Å; L59-F98 HydrophobicContact CD2-CG 3.44Å; L59-F98 VanDerWaalsContact CD2-CG 3.44Å; L59-F98 HydrophobicContact CG-CB 4.21Å; L59-F98 HydrophobicContact CG-CG 4.46Å; I62-F98 HydrophobicContact CG2-CD2 4.26Å; I62-F98 HydrophobicContact CG2-CE2 3.91Å; F64-F98 HydrophobicContact CD2-CE2 4.13Å; F64-F98 AromaticContact CE2-CE2 3.82Å; F64-F98 HydrophobicContact CE2-CE2 3.82Å; F64-F98 HydrophobicContact CE2-CZ 4.03Å; F98-L105 HydrophobicContact CD1-CD1 4.02Å; F98-L105 HydrophobicContact CD2-CD1 4.02Å; F98-L105 HydrophobicContact CE1-CD1 3.85Å; F98-L105 HydrophobicContact CE2-CD1 3.83Å; F98-L105 HydrophobicContact CG-CD1 4.11Å; F98-L105 HydrophobicContact CZ-CD1 3.75Å; F98-Y253 HydrophobicContact CD1-CD1 4.03Å; F98-Y253 HydrophobicContact CD1-CE1 4.04Å; F98-Y253 HydrophobicContact CE1-CD1 4.48Å; F98-I260 HydrophobicContact CE1-CG2 4.16Å
99	D	84.8	Confident	81	Confident	39 Å²	39	42.8 Å²	42.8	21%	0.209	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.9	171.4	179	6.3	0	0	0	109.4	S101 S102 K103 S104 V106 R250 Y253	D99-S101 VanDerWaalsContact C-N 3.3Å; D99-S101 PolarHBondContact O-N 2.79Å; D99-S101 WeakPolarHBondContact OD1-CB 3.28Å; D99-S101 PolarHBondContact OD1-N 3.08Å; D99-S101 PolarHBondContact OD1-OG 3.41Å; D99-S101 PolarHBondContact OD2-OG 3.05Å; D99-S102 WeakPolarHBondContact CB-OG 3.26Å; D99-S102 WeakPolarHBondContact OD2-CB 3.4Å; D99-S102 PolarHBondContact OD2-OG 3.18Å; D99-K103 PolarHBondContact O-N 3.16Å; D99-S104 PolarHBondContact N-O 3Å; D99-S104 PolarHBondContact O-N 2.77Å; D99-V106 HydrophobicContact CB-CG2 3.62Å; D99-R250 IonicContact OD2-CZ 3.95Å; D99-R250 IonicContact OD2-NH1 3.73Å; D99-R250 PolarHBondContact OD2-NH1 3.07Å; D99-Y253 PolarHBondContact O-OH 3.19Å
100	K	83.2	Confident	81.7	Confident	112 Å²	112	39.4 Å²	39.4	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-34.1	178.4	-72.2	-179	178.5	177.5	0	112.1	L59	L59-K100 HydrophobicContact CB-CG 4.41Å; L59-K100 HydrophobicContact CD1-CG 3.9Å
101	S	83.1	Confident	82.4	Confident	107 Å²	107	36.3 Å²	36.3	75%	0.748	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-43.8	-173.1	68.7	0	0	0	0	111.9	D99	D99-S101 VanDerWaalsContact C-N 3.3Å; D99-S101 PolarHBondContact O-N 2.79Å; D99-S101 WeakPolarHBondContact OD1-CB 3.28Å; D99-S101 PolarHBondContact OD1-N 3.08Å; D99-S101 PolarHBondContact OD1-OG 3.41Å; D99-S101 PolarHBondContact OD2-OG 3.05Å
102	S	77.1	Confident	82.9	Confident	49 Å²	49	39.4 Å²	39.4	34%	0.343	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.6	179.4	61.1	0	0	0	0	114.1	D99 S104 R250	D99-S102 WeakPolarHBondContact CB-OG 3.26Å; D99-S102 WeakPolarHBondContact OD2-CB 3.4Å; D99-S102 PolarHBondContact OD2-OG 3.18Å; S102-S104 PolarHBondContact O-N 3.15Å; S102-S104 PolarHBondContact OG-OG 2.84Å; S102-R250 PolarHBondContact OG-NH1 3.1Å
103	K	83.4	Confident	83.3	Confident	124 Å²	124	36.8 Å²	36.8	54%	0.539	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	43.3	-171.3	-62	-176.9	179.4	-179.6	0	112.4	D99 R151 Y253	D99-K103 PolarHBondContact O-N 3.16Å; K103-R151 PolarHBondContact O-NH1 2.81Å; K103-Y253 HydrophobicContact CB-CE2 4.39Å; K103-Y253 WeakPolarHBondContact O-CD1 3.28Å; K103-Y253 PolarHBondContact O-N 2.92Å
104	S	82.5	Confident	83.3	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	146	-178.5	69.8	0	0	0	0	112.7	D99 S102 R250 I251	D99-S104 PolarHBondContact N-O 3Å; D99-S104 PolarHBondContact O-N 2.77Å; S102-S104 PolarHBondContact O-N 3.15Å; S102-S104 PolarHBondContact OG-OG 2.84Å; S104-R250 PolarHBondContact OG-NH1 3.33Å; S104-I251 CarbonylContact C-O 3.55Å; S104-I251 VanDerWaalsContact CA-O 3.25Å; S104-I251 WeakPolarHBondContact CA-O 3.5Å
105	L	85.8	Confident	83.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.6	163.9	179.2	66.3	0	0	0	106.9	L96 F98 R250 I251 F264	L96-L105 HydrophobicContact CB-CD1 3.84Å; L96-L105 HydrophobicContact CB-CG 4.21Å; L96-L105 HydrophobicContact CD2-CD1 4.45Å; L96-L105 HydrophobicContact CD2-CD2 3.7Å; L96-L105 HydrophobicContact CD2-CG 4.03Å; F98-L105 HydrophobicContact CD1-CD1 4.02Å; F98-L105 HydrophobicContact CD2-CD1 4.02Å; F98-L105 HydrophobicContact CE1-CD1 3.85Å; F98-L105 HydrophobicContact CE2-CD1 3.83Å; F98-L105 HydrophobicContact CG-CD1 4.11Å; F98-L105 HydrophobicContact CZ-CD1 3.75Å; L105-R250 WeakPolarHBondContact O-CA 3.37Å; L105-I251 HydrophobicContact CB-CB 4.3Å; L105-I251 HydrophobicContact CD2-CD1 4.34Å; L105-I251 PolarHBondContact N-O 3.45Å; L105-I251 PolarHBondContact O-N 2.81Å; L105-F264 HydrophobicContact CD2-CD1 3.9Å; L105-F264 HydrophobicContact CD2-CE1 3.98Å
106	V	87.4	Confident	82.6	Confident	8 Å²	8	42.5 Å²	42.5	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.8	-176.5	-171.4	0	0	0	0	109	L96 S97 D99 H108 Q249 R250	L96-V106 VanDerWaalsContact CA-O 3.31Å; L96-V106 WeakPolarHBondContact CA-O 3.43Å; S97-V106 PolarHBondContact N-O 3.14Å; S97-V106 PolarHBondContact O-N 2.87Å; D99-V106 HydrophobicContact CB-CG2 3.62Å; V106-H108 PolarHBondContact O-CD2 3.39Å; V106-Q249 CarbonylContact C-O 3.5Å; V106-Q249 WeakPolarHBondContact CA-O 3.4Å; V106-Q249 HydrophobicContact CG1-CG 4.46Å; V106-R250 HydrophobicContact CG1-CG 4.46Å; V106-R250 HydrophobicContact CG2-CG 4.28Å
107	I	87.3	Confident	82.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.2	174.4	-60.2	150.1	0	0	0	108.5	I94 L96 F119 L248 Q249 I251	I94-I107 HydrophobicContact CG2-CG2 4.25Å; L96-I107 HydrophobicContact CD2-CG1 3.9Å; L96-I107 HydrophobicContact CG-CG1 4.01Å; I107-F119 HydrophobicContact CD1-CB 3.36Å; I107-F119 HydrophobicContact CD1-CD1 3.49Å; I107-F119 VanDerWaalsContact CD1-CD1 3.49Å; I107-F119 HydrophobicContact CD1-CD2 4.2Å; I107-F119 HydrophobicContact CD1-CE1 4.34Å; I107-F119 HydrophobicContact CD1-CG 3.41Å; I107-F119 VanDerWaalsContact CD1-CG 3.41Å; I107-F119 HydrophobicContact CG1-CD1 3.87Å; I107-F119 HydrophobicContact CG1-CE1 4.25Å; I107-F119 HydrophobicContact CG1-CG 4.09Å; I107-F119 HydrophobicContact CG2-CD1 4.27Å; I107-F119 HydrophobicContact CG2-CD2 3.72Å; I107-F119 HydrophobicContact CG2-CE1 4.25Å; I107-F119 HydrophobicContact CG2-CE2 3.71Å; I107-F119 HydrophobicContact CG2-CG 4.04Å; I107-F119 HydrophobicContact CG2-CZ 4Å; I107-L248 WeakPolarHBondContact CD1-O 3.46Å; I107-Q249 PolarHBondContact N-O 2.99Å; I107-Q249 WeakPolarHBondContact O-CG 3.42Å; I107-I251 HydrophobicContact CD1-CD1 3.41Å; I107-I251 VanDerWaalsContact CD1-CD1 3.41Å; I107-I251 HydrophobicContact CD1-CG1 4.11Å; I107-I251 HydrophobicContact CG1-CD1 4.06Å
108	H	85.6	Confident	82.1	Confident	25 Å²	25	42.7 Å²	42.7	12%	0.116	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	104	175.4	-59.4	-92.4	0	0	0	108.3	I94 Y95 S97 V106	I94-H108 WeakPolarHBondContact CA-O 3.45Å; Y95-H108 HydrophobicContact CD1-CB 3.79Å; Y95-H108 HydrophobicContact CD2-CB 4.13Å; Y95-H108 AromaticContact CD2-CD2 3.6Å; Y95-H108 HydrophobicContact CE1-CB 3.44Å; Y95-H108 VanDerWaalsContact CE1-CB 3.44Å; Y95-H108 AromaticContact CE1-CG 3.97Å; Y95-H108 HydrophobicContact CE2-CB 3.8Å; Y95-H108 AromaticContact CE2-CD2 3.13Å; Y95-H108 WeakPolarHBondContact CE2-CD2 3.43Å; Y95-H108 AromaticContact CE2-CG 3.47Å; Y95-H108 VanDerWaalsContact CE2-CG 3.47Å; Y95-H108 AromaticContact CE2-NE2 3.68Å; Y95-H108 HydrophobicContact CG-CB 4.13Å; Y95-H108 VanDerWaalsContact CZ-CB 3.45Å; Y95-H108 AromaticContact CZ-CD2 3.62Å; Y95-H108 AromaticContact CZ-CG 3.4Å; Y95-H108 VanDerWaalsContact CZ-CG 3.4Å; Y95-H108 AromaticContact CZ-ND1 3.94Å; Y95-H108 PolarHBondContact N-O 3.14Å; Y95-H108 PolarHBondContact O-N 3.37Å; S97-H108 PolarHBondContact OG-NE2 3.1Å; V106-H108 PolarHBondContact O-CD2 3.39Å
109	N	82	Confident	81.9	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.027	23%	0.225	C	C	.	.			trans	-122.5	97.6	173	-176.3	2.4	0	0	0	108.4	I94 D111 Y114	I94-N109 HydrophobicContact CG1-CB 4.19Å; N109-D111 PolarHBondContact OD1-O 3.33Å; N109-Y114 PolarHBondContact ND2-O 2.84Å
110	H	75.6	Confident	81.4	Confident	80 Å²	80	40.9 Å²	40.9	37%	0.37	22%	0.217	S	C	.	.			trans	-111.4	-4.5	-178.4	-63.6	-49.7	0	0	0	113.1
111	D	77.3	Confident	80.7	Confident	10 Å²	10	36 Å²	36	5%	0.053	20%	0.197	C	C	.	.			trans	-94.9	119.1	-177.4	-176.2	-14	0	0	0	110.2	K92 N109 N113 Y114	K92-D111 HydrophobicContact CB-CB 4.36Å; N109-D111 PolarHBondContact OD1-O 3.33Å; D111-N113 PolarHBondContact O-N 3.26Å; D111-N113 VanDerWaalsContact O-N 3.1Å; D111-N113 VanDerWaalsContact OD1-CB 3.27Å; D111-N113 WeakPolarHBondContact OD1-CB 3.14Å; D111-N113 PolarHBondContact OD1-N 2.84Å; D111-N113 PolarHBondContact OD1-ND2 3.19Å; D111-Y114 HydrophobicContact CB-CD2 3.77Å; D111-Y114 HydrophobicContact CB-CE2 4.35Å; D111-Y114 PolarHBondContact O-N 3.1Å
112	P	79.1	Confident	79.7	Confident	82 Å²	82	31.9 Å²	31.9	53%	0.532	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-60.2	-19	178.8	26.1	-35.8	0	0	0	114	Y114 K115	P112-Y114 PolarHBondContact O-N 2.72Å; P112-K115 WeakPolarHBondContact O-CB 3.39Å; P112-K115 WeakPolarHBondContact O-CD 3.27Å; P112-K115 VanDerWaalsContact O-CG 3.28Å; P112-K115 WeakPolarHBondContact O-CG 3.15Å; P112-K115 PolarHBondContact O-N 2.84Å
113	N	79.2	Confident	78.6	Confident	109 Å²	109	32.9 Å²	32.9	58%	0.583	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-63.7	-25.5	173.3	-67.7	-26.2	0	0	0	112.5	D111	D111-N113 PolarHBondContact O-N 3.26Å; D111-N113 VanDerWaalsContact O-N 3.1Å; D111-N113 VanDerWaalsContact OD1-CB 3.27Å; D111-N113 WeakPolarHBondContact OD1-CB 3.14Å; D111-N113 PolarHBondContact OD1-N 2.84Å; D111-N113 PolarHBondContact OD1-ND2 3.19Å
114	Y	79.1	Confident	77.2	Confident	2 Å²	2	30 Å²	30	1%	0.008	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-105.1	18.5	-178.7	-61.9	-90.1	0	0	0	112.6	K68 D71 I94 N109 D111 P112 G116 V117 Y277	K68-Y114 HydrophobicContact CB-CE1 3.85Å; K68-Y114 WeakPolarHBondContact CB-OH 3.25Å; K68-Y114 HydrophobicContact CD-CE1 4.48Å; D71-Y114 PolarHBondContact OD2-OH 3.46Å; I94-Y114 HydrophobicContact CD1-CD1 3.77Å; I94-Y114 HydrophobicContact CD1-CG 3.95Å; I94-Y114 HydrophobicContact CG1-CD1 4.35Å; I94-Y114 HydrophobicContact CG1-CG 4.19Å; N109-Y114 PolarHBondContact ND2-O 2.84Å; D111-Y114 HydrophobicContact CB-CD2 3.77Å; D111-Y114 HydrophobicContact CB-CE2 4.35Å; D111-Y114 PolarHBondContact O-N 3.1Å; P112-Y114 PolarHBondContact O-N 2.72Å; Y114-G116 PolarHBondContact O-N 3.22Å; Y114-V117 HydrophobicContact CD1-CG2 4.08Å; Y114-V117 WeakPolarHBondContact O-CB 3.14Å; Y114-V117 PolarHBondContact O-N 3.24Å; Y114-Y277 HydrophobicContact CD1-CE1 4.31Å; Y114-Y277 AromaticContact CE1-CE1 3.98Å; Y114-Y277 HydrophobicContact CE1-CE1 3.98Å
115	K	79.7	Confident	75.9	Confident	119 Å²	119	34.6 Å²	34.6	52%	0.517	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.8	-177.9	67.4	-175.1	178.1	-178.1	0	114.1	P112 F245	P112-K115 WeakPolarHBondContact O-CB 3.39Å; P112-K115 WeakPolarHBondContact O-CD 3.27Å; P112-K115 VanDerWaalsContact O-CG 3.28Å; P112-K115 WeakPolarHBondContact O-CG 3.15Å; P112-K115 PolarHBondContact O-N 2.84Å; K115-F245 HydrophobicContact CB-CD1 3.64Å; K115-F245 HydrophobicContact CB-CD2 4.31Å; K115-F245 HydrophobicContact CB-CE1 3.79Å; K115-F245 HydrophobicContact CB-CE2 4.44Å; K115-F245 HydrophobicContact CB-CG 3.91Å; K115-F245 HydrophobicContact CB-CZ 4.2Å
116	G	77.6	Confident	74.2	Confident	7 Å²	7	40.1 Å²	40.1	7%	0.072	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2	177.2	0	0	0	0	0	114.6	Y114 I118 E273	Y114-G116 PolarHBondContact O-N 3.22Å; G116-I118 PolarHBondContact O-N 3.17Å; G116-E273 WeakPolarHBondContact CA-OE1 3.39Å; G116-E273 PolarHBondContact N-OE1 3.01Å; G116-E273 VanDerWaalsContact N-OE1 3.16Å
117	V	84.7	Confident	72.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	105.7	171.6	-178.2	0	0	0	0	107.8	L66 I94 Y114 F119 V266 F268 E273	L66-V117 HydrophobicContact CD2-CG1 4.31Å; I94-V117 HydrophobicContact CD1-CB 4.05Å; I94-V117 HydrophobicContact CD1-CG1 3.8Å; I94-V117 HydrophobicContact CD1-CG2 4.47Å; Y114-V117 HydrophobicContact CD1-CG2 4.08Å; Y114-V117 WeakPolarHBondContact O-CB 3.14Å; Y114-V117 PolarHBondContact O-N 3.24Å; V117-F119 HydrophobicContact CG1-CE2 4.14Å; V117-V266 HydrophobicContact CG1-CG1 3.34Å; V117-F268 HydrophobicContact CG1-CE1 4.14Å; V117-F268 HydrophobicContact CG2-CD1 4.1Å; V117-F268 HydrophobicContact CG2-CE1 4.15Å; V117-E273 HydrophobicContact CG2-CB 4.21Å; V117-E273 HydrophobicContact CG2-CG 3.92Å
118	I	82.9	Confident	70.4	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.6	-174.7	-50.4	-58.3	0	0	0	110.6	G116 E120 Y191 V266 R267 L269	G116-I118 PolarHBondContact O-N 3.17Å; I118-E120 HydrophobicContact CG2-CG 4.27Å; I118-Y191 HydrophobicContact CG1-CG 4.45Å; I118-Y191 HydrophobicContact CG2-CG 4.4Å; I118-V266 CarbonylContact O-C 3.47Å; I118-V266 WeakPolarHBondContact O-CA 3.47Å; I118-R267 PolarHBondContact N-O 2.62Å; I118-R267 VanDerWaalsContact N-O 3.09Å; I118-R267 PolarHBondContact O-N 2.96Å; I118-L269 HydrophobicContact CG1-CD1 3.72Å
119	F	83.6	Confident	68.6	Low	1 Å²	1	58.1 Å²	58.1	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.8	169	-67.1	-104.1	0	0	0	110.7	L66 I94 L96 I107 V117 S247 L248 F264 T265 V266	L66-F119 HydrophobicContact CD2-CZ 4.24Å; I94-F119 HydrophobicContact CD1-CE2 4.22Å; I94-F119 HydrophobicContact CG2-CE2 3.86Å; I94-F119 HydrophobicContact CG2-CZ 3.6Å; L96-F119 HydrophobicContact CD1-CE1 4.23Å; L96-F119 HydrophobicContact CD1-CZ 4.48Å; L96-F119 HydrophobicContact CD2-CE1 4.16Å; I107-F119 HydrophobicContact CD1-CB 3.36Å; I107-F119 HydrophobicContact CD1-CD1 3.49Å; I107-F119 VanDerWaalsContact CD1-CD1 3.49Å; I107-F119 HydrophobicContact CD1-CD2 4.2Å; I107-F119 HydrophobicContact CD1-CE1 4.34Å; I107-F119 HydrophobicContact CD1-CG 3.41Å; I107-F119 VanDerWaalsContact CD1-CG 3.41Å; I107-F119 HydrophobicContact CG1-CD1 3.87Å; I107-F119 HydrophobicContact CG1-CE1 4.25Å; I107-F119 HydrophobicContact CG1-CG 4.09Å; I107-F119 HydrophobicContact CG2-CD1 4.27Å; I107-F119 HydrophobicContact CG2-CD2 3.72Å; I107-F119 HydrophobicContact CG2-CE1 4.25Å; I107-F119 HydrophobicContact CG2-CE2 3.71Å; I107-F119 HydrophobicContact CG2-CG 4.04Å; I107-F119 HydrophobicContact CG2-CZ 4Å; V117-F119 HydrophobicContact CG1-CE2 4.14Å; F119-S247 WeakPolarHBondContact CA-OG 3.29Å; F119-S247 WeakPolarHBondContact CB-OG 3.14Å; F119-S247 PolarHBondContact N-OG 3.05Å; F119-S247 PolarHBondContact O-OG 3.31Å; F119-L248 WeakPolarHBondContact O-CB 3.38Å; F119-L248 PolarHBondContact O-N 3.11Å; F119-L248 VanDerWaalsContact O-N 3.09Å; F119-F264 HydrophobicContact CD1-CD2 4.12Å; F119-F264 HydrophobicContact CE1-CD2 4.26Å; F119-F264 HydrophobicContact CE1-CE2 4.32Å; F119-T265 CarbonylContact C-O 3.57Å; F119-T265 WeakPolarHBondContact CA-O 3.38Å; F119-V266 HydrophobicContact CD1-CG2 3.76Å; F119-V266 HydrophobicContact CE1-CG2 3.44Å; F119-V266 VanDerWaalsContact CE1-CG2 3.44Å; F119-V266 HydrophobicContact CE2-CG1 4.41Å; F119-V266 HydrophobicContact CZ-CG1 4.28Å; F119-V266 HydrophobicContact CZ-CG2 3.94Å
120	E	74.2	Confident	67.2	Low	6 Å²	6	59.7 Å²	59.7	3%	0.028	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.9	179.1	-65.3	-175.8	161	0	0	109.7	I118 Q190 Y191 T265 R267	I118-E120 HydrophobicContact CG2-CG 4.27Å; E120-Q190 HydrophobicContact CG-CB 4.1Å; E120-Q190 PolarHBondContact OE1-N 2.99Å; E120-Y191 PolarHBondContact OE1-N 3.12Å; E120-T265 PolarHBondContact N-O 3.4Å; E120-T265 PolarHBondContact O-N 3.41Å; E120-R267 WeakPolarHBondContact OE1-CD 3.47Å; E120-R267 IonicContact OE1-NE 2.72Å; E120-R267 PolarHBondContact OE1-NE 2.92Å; E120-R267 WeakPolarHBondContact OE2-CD 3.14Å; E120-R267 IonicContact OE2-CZ 2.67Å; E120-R267 IonicContact OE2-NE 3.79Å; E120-R267 PolarHBondContact OE2-NE 3.23Å; E120-R267 IonicContact OE2-NH2 3.69Å
121	A	67.7	Low	65.9	Low	8 Å²	8	59.3 Å²	59.3	7%	0.066	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.5	170	0	0	0	0	0	109.7	C149 Q190 L248	A121-C149 HydrophobicContact CB-CB 4.19Å; A121-Q190 PolarHBondContact O-OE1 3.3Å; A121-Q190 VanDerWaalsContact O-OE1 3.06Å; A121-L248 HydrophobicContact CB-CD2 3.73Å
122	S	62.4	Low	64.5	Low	21 Å²	21	62 Å²	62	15%	0.147	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-94.2	120.4	179.5	-42.1	0	0	0	0	110.4	T265	S122-T265 WeakPolarHBondContact OG-CB 3.43Å; S122-T265 PolarHBondContact OG-N 3.17Å; S122-T265 VanDerWaalsContact OG-N 3.13Å; S122-T265 PolarHBondContact OG-OG1 2.88Å
123	S	54.1	Low	63	Low	70 Å²	70	59.4 Å²	59.4	49%	0.49	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-96.7	136.9	152.3	55.6	0	0	0	0	108.1	Y145	S123-Y145 WeakPolarHBondContact CB-OH 3.39Å; S123-Y145 PolarHBondContact N-OH 2.74Å; S123-Y145 PolarHBondContact OG-OH 3.33Å
124	L	54.6	Low	61.4	Low	64 Å²	64	59.1 Å²	59.1	34%	0.335	32%	0.317	S	S	.	.			trans	-101.7	106	178.5	-146.2	102.7	0	0	0	107.7	F51 M126 P132	F51-L124 HydrophobicContact CD1-CD1 4.2Å; F51-L124 HydrophobicContact CE1-CB 4.42Å; F51-L124 HydrophobicContact CE1-CD1 3.25Å; F51-L124 HydrophobicContact CE1-CG 4.41Å; F51-L124 HydrophobicContact CE2-CD1 3.85Å; F51-L124 HydrophobicContact CZ-CD1 3.05Å; F51-L124 HydrophobicContact CZ-CG 4.49Å; L124-M126 HydrophobicContact CD2-CG 4.31Å; L124-M126 HydrophobicContact CD2-SD 3.68Å; L124-P132 HydrophobicContact CD1-CB 3.96Å; L124-P132 HydrophobicContact CD2-CB 4.3Å; L124-P132 HydrophobicContact CG-CB 3.86Å
125	E	53.5	Low	59.8	Low	100 Å²	100	65.5 Å²	65.5	47%	0.467	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-95.4	122.8	161.9	-74.6	-168	-167.9	0	0	108.4	P132 A133 K135	E125-P132 CarbonylContact O-C 3.38Å; E125-P132 VanDerWaalsContact O-CA 3.27Å; E125-P132 WeakPolarHBondContact O-CA 3.4Å; E125-A133 PolarHBondContact O-N 3.48Å; E125-K135 IonicContact OE2-NZ 3.78Å
126	M	51.2	Low	57.7	Low	116 Å²	116	64.1 Å²	64.1	57%	0.571	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-83.5	123.9	179.1	-60.5	-88.3	-74.8	0	0	108.7	L124 G130 Q131	L124-M126 HydrophobicContact CD2-CG 4.31Å; L124-M126 HydrophobicContact CD2-SD 3.68Å; M126-G130 WeakPolarHBondContact CE-O 3.5Å; M126-Q131 CarbonylContact C-O 3.57Å
127	E	52.1	Low	56.3	Low	99 Å²	99	66.6 Å²	66.6	46%	0.463	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-61.6	163.3	162.6	-69.8	-172.5	142.4	0	0	110.5	D129 G130 Q131 A133	E127-D129 WeakPolarHBondContact CB-OD1 3.44Å; E127-D129 PolarHBondContact O-N 2.98Å; E127-D129 VanDerWaalsContact O-N 3.1Å; E127-G130 WeakPolarHBondContact O-CA 3.36Å; E127-G130 PolarHBondContact O-N 3.06Å; E127-Q131 VanDerWaalsContact CB-O 3.28Å; E127-Q131 WeakPolarHBondContact CB-O 3.38Å; E127-Q131 WeakPolarHBondContact CG-O 3.25Å; E127-Q131 PolarHBondContact N-O 3.22Å; E127-A133 HydrophobicContact CG-CB 3.16Å; E127-A133 WeakPolarHBondContact OE1-CB 3.37Å
128	E	42.2	Very low	54.7	Low	214 Å²	214	68.1 Å²	68.1	100%	1	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.5	-179.4	-69.1	-178.3	161.5	0	0	113.6
129	D	48.1	Very low	53.8	Low	99 Å²	99	69.2 Å²	69.2	53%	0.529	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.3	173.4	74.8	-14	0	0	0	113.6	E127 Q131	E127-D129 WeakPolarHBondContact CB-OD1 3.44Å; E127-D129 PolarHBondContact O-N 2.98Å; E127-D129 VanDerWaalsContact O-N 3.1Å; D129-Q131 VanDerWaalsContact OD1-CB 3.25Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.42Å; D129-Q131 WeakPolarHBondContact OD1-CG 3.15Å; D129-Q131 PolarHBondContact OD1-N 2.93Å; D129-Q131 VanDerWaalsContact OD2-CD 3.26Å; D129-Q131 WeakPolarHBondContact OD2-CG 3.38Å; D129-Q131 PolarHBondContact OD2-NE2 2.7Å
130	G	52.2	Low	53.1	Low	38 Å²	38	71.8 Å²	71.8	39%	0.392	39%	0.394	S	S	.	.	S	Bend	trans	84.1	7.5	-177.3	0	0	0	0	0	115.2	M126 E127	M126-G130 WeakPolarHBondContact CE-O 3.5Å; E127-G130 WeakPolarHBondContact O-CA 3.36Å; E127-G130 PolarHBondContact O-N 3.06Å
131	Q	47.8	Very low	52.7	Low	73 Å²	73	75.4 Å²	75.4	34%	0.341	41%	0.413	S	S	.	.			trans	-88	143	176.6	-64.2	-172.2	53.7	0	0	112.1	M126 E127 D129 A133	M126-Q131 CarbonylContact C-O 3.57Å; E127-Q131 VanDerWaalsContact CB-O 3.28Å; E127-Q131 WeakPolarHBondContact CB-O 3.38Å; E127-Q131 WeakPolarHBondContact CG-O 3.25Å; E127-Q131 PolarHBondContact N-O 3.22Å; D129-Q131 VanDerWaalsContact OD1-CB 3.25Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.42Å; D129-Q131 WeakPolarHBondContact OD1-CG 3.15Å; D129-Q131 PolarHBondContact OD1-N 2.93Å; D129-Q131 VanDerWaalsContact OD2-CD 3.26Å; D129-Q131 WeakPolarHBondContact OD2-CG 3.38Å; D129-Q131 PolarHBondContact OD2-NE2 2.7Å; Q131-A133 PolarHBondContact O-N 3.37Å
132	P	49.4	Very low	52.7	Low	65 Å²	65	75.6 Å²	75.6	42%	0.422	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-69.9	123.6	175.8	28.6	-33.5	0	0	0	110.7	L124 E125	L124-P132 HydrophobicContact CD1-CB 3.96Å; L124-P132 HydrophobicContact CD2-CB 4.3Å; L124-P132 HydrophobicContact CG-CB 3.86Å; E125-P132 CarbonylContact O-C 3.38Å; E125-P132 VanDerWaalsContact O-CA 3.27Å; E125-P132 WeakPolarHBondContact O-CA 3.4Å
133	A	46.2	Very low	53.1	Low	29 Å²	29	74.6 Å²	74.6	24%	0.24	41%	0.406	C	S	.	.			trans	-127.2	155.5	169.2	0	0	0	0	0	113.7	E125 E127 Q131	E125-A133 PolarHBondContact O-N 3.48Å; E127-A133 HydrophobicContact CG-CB 3.16Å; E127-A133 WeakPolarHBondContact OE1-CB 3.37Å; Q131-A133 PolarHBondContact O-N 3.37Å
134	I	45.8	Very low	53.9	Low	103 Å²	103	74 Å²	74	53%	0.528	40%	0.395	S	S	.	.			trans	-106.6	115.4	-173.4	-18.5	-178.5	0	0	0	106.7	H187	I134-H187 WeakPolarHBondContact CA-NE2 3.14Å; I134-H187 WeakPolarHBondContact CB-NE2 3.33Å; I134-H187 WeakPolarHBondContact CG2-CE1 3.36Å; I134-H187 WeakPolarHBondContact CG2-NE2 3.34Å; I134-H187 PolarHBondContact O-NE2 3.21Å
135	K	45.3	Very low	54.6	Low	136 Å²	136	73.6 Å²	73.6	59%	0.591	39%	0.39	S	S	*	.			trans	-86.9	133.3	177.3	-80.4	-179.3	-178.4	160.8	0	111.2	E125 I137 H187	E125-K135 IonicContact OE2-NZ 3.78Å; K135-I137 WeakPolarHBondContact O-CG1 3.45Å; K135-I137 PolarHBondContact O-N 3.46Å; K135-H187 PolarHBondContact N-NE2 2.85Å; K135-H187 PolarHBondContact O-CE1 3.34Å; K135-H187 PolarHBondContact O-NE2 2.62Å
136	P	36.2	Very low	55.3	Low	90 Å²	90	69 Å²	69	58%	0.584	37%	0.369	S	S	*	.			trans	-63	129.4	-178.9	26.7	-33.6	0	0	0	111.1	V183	P136-V183 HydrophobicContact CB-CG1 3.97Å
137	I	49.3	Very low	56.3	Low	59 Å²	59	63.4 Å²	63.4	30%	0.303	34%	0.341	S	S	.	.			trans	-129.4	140.7	-176.6	-73.5	171.1	0	0	0	107.5	K135 D141 N142	K135-I137 WeakPolarHBondContact O-CG1 3.45Å; K135-I137 PolarHBondContact O-N 3.46Å; I137-D141 HydrophobicContact CB-CB 4.44Å; I137-D141 HydrophobicContact CG2-CB 3.01Å; I137-N142 PolarHBondContact O-ND2 3.04Å
138	G	50.8	Low	57.2	Low	31 Å²	31	61.5 Å²	61.5	32%	0.32	34%	0.336	S	S	.	.			trans	-65.1	164.9	-179.5	0	0	0	0	0	113.1	I140 D141 N142	G138-I140 VanDerWaalsContact C-N 3.34Å; G138-I140 PolarHBondContact O-N 3.36Å; G138-D141 PolarHBondContact O-N 3.33Å; G138-D141 VanDerWaalsContact O-N 3.14Å; G138-N142 PolarHBondContact O-N 2.89Å; G138-N142 PolarHBondContact O-ND2 3.02Å
139	L	64.2	Low	58.2	Low	32 Å²	32	52.3 Å²	52.3	17%	0.168	30%	0.296	C	S	.	.	H	α-helix	trans	-55.3	-44.8	-178.8	175.8	62.6	0	0	0	113.1	D141 N142 I143 N165 V178 L186	L139-D141 VanDerWaalsContact C-N 3.32Å; L139-D141 PolarHBondContact O-N 2.94Å; L139-N142 PolarHBondContact O-N 3.26Å; L139-I143 HydrophobicContact CD1-CD1 4.09Å; L139-I143 HydrophobicContact CD1-CG1 4.36Å; L139-I143 HydrophobicContact CG-CD1 4.08Å; L139-I143 WeakPolarHBondContact O-CG1 3.47Å; L139-I143 PolarHBondContact O-N 3.21Å; L139-N165 WeakPolarHBondContact CD2-OD1 3.34Å; L139-V178 HydrophobicContact CD2-CG1 3.89Å; L139-L186 HydrophobicContact CB-CD2 3.79Å; L139-L186 HydrophobicContact CD1-CD1 4.24Å; L139-L186 HydrophobicContact CD1-CD2 3.57Å; L139-L186 HydrophobicContact CD1-CG 4.46Å; L139-L186 HydrophobicContact CG-CD2 4.26Å
140	I	67.9	Low	59	Low	55 Å²	55	48 Å²	48	28%	0.282	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-44.6	178.2	-65.2	170.9	0	0	0	110.6	G138 N142 I143 H144 L158 A161 K162 N165	G138-I140 VanDerWaalsContact C-N 3.34Å; G138-I140 PolarHBondContact O-N 3.36Å; I140-N142 VanDerWaalsContact C-N 3.33Å; I140-N142 PolarHBondContact O-N 2.91Å; I140-I143 PolarHBondContact O-N 3.36Å; I140-H144 VanDerWaalsContact O-CB 3.26Å; I140-H144 WeakPolarHBondContact O-CB 3.41Å; I140-H144 PolarHBondContact O-N 3.46Å; I140-L158 HydrophobicContact CG2-CD1 4.35Å; I140-A161 HydrophobicContact CG2-CB 4.18Å; I140-K162 HydrophobicContact CG2-CG 4.17Å; I140-N165 HydrophobicContact CG1-CB 3.94Å
141	D	66.3	Low	59.6	Low	81 Å²	81	51.9 Å²	51.9	43%	0.433	28%	0.275	S	S	.	.	H	α-helix	trans	-70.7	-31	-178.3	-60.5	-43.8	0	0	0	111.4	I137 G138 L139 H144 Y145	I137-D141 HydrophobicContact CB-CB 4.44Å; I137-D141 HydrophobicContact CG2-CB 3.01Å; G138-D141 PolarHBondContact O-N 3.33Å; G138-D141 VanDerWaalsContact O-N 3.14Å; L139-D141 VanDerWaalsContact C-N 3.32Å; L139-D141 PolarHBondContact O-N 2.94Å; D141-H144 WeakPolarHBondContact O-CB 3.46Å; D141-H144 PolarHBondContact O-N 3.42Å; D141-Y145 VanDerWaalsContact O-CB 3.27Å; D141-Y145 WeakPolarHBondContact O-CB 3.5Å; D141-Y145 PolarHBondContact O-N 2.85Å
142	N	66.6	Low	60.2	Low	12 Å²	12	48.7 Å²	48.7	6%	0.064	26%	0.261	C	S	.	.	H	α-helix	trans	-68.5	-42.9	170.8	-78.7	-40.5	0	0	0	111.9	I137 G138 L139 I140 H144 Y145 A146 V193	I137-N142 PolarHBondContact O-ND2 3.04Å; G138-N142 PolarHBondContact O-N 2.89Å; G138-N142 PolarHBondContact O-ND2 3.02Å; L139-N142 PolarHBondContact O-N 3.26Å; I140-N142 VanDerWaalsContact C-N 3.33Å; I140-N142 PolarHBondContact O-N 2.91Å; N142-H144 VanDerWaalsContact C-N 3.31Å; N142-Y145 PolarHBondContact O-N 3.07Å; N142-A146 WeakPolarHBondContact O-CB 3.38Å; N142-A146 PolarHBondContact O-N 2.85Å; N142-V193 HydrophobicContact CB-CG2 4.42Å
143	I	70.7	Confident	60.7	Low	1 Å²	1	49 Å²	49	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-43.5	173.7	-65.7	164.2	0	0	0	109.4	L139 I140 A146 L147 A161 I164 N165 I168 V193 L197	L139-I143 HydrophobicContact CD1-CD1 4.09Å; L139-I143 HydrophobicContact CD1-CG1 4.36Å; L139-I143 HydrophobicContact CG-CD1 4.08Å; L139-I143 WeakPolarHBondContact O-CG1 3.47Å; L139-I143 PolarHBondContact O-N 3.21Å; I140-I143 PolarHBondContact O-N 3.36Å; I143-A146 PolarHBondContact O-N 2.98Å; I143-L147 HydrophobicContact CG2-CD1 3.88Å; I143-L147 HydrophobicContact CG2-CG 4.26Å; I143-L147 WeakPolarHBondContact O-CB 3.19Å; I143-L147 VanDerWaalsContact O-CG 3.23Å; I143-L147 WeakPolarHBondContact O-CG 3.37Å; I143-L147 PolarHBondContact O-N 3.03Å; I143-A161 HydrophobicContact CB-CB 4.09Å; I143-A161 HydrophobicContact CG2-CB 3.78Å; I143-I164 HydrophobicContact CD1-CG2 4.21Å; I143-I164 HydrophobicContact CG2-CB 4.29Å; I143-I164 HydrophobicContact CG2-CD1 4.23Å; I143-I164 HydrophobicContact CG2-CG2 4.21Å; I143-N165 HydrophobicContact CD1-CB 4.2Å; I143-I168 HydrophobicContact CD1-CD1 3.95Å; I143-V193 HydrophobicContact CG1-CG1 4.27Å; I143-L197 HydrophobicContact CG2-CD2 4.3Å
144	H	72.6	Confident	61.3	Low	56 Å²	56	52.3 Å²	52.3	26%	0.259	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-47.3	175.9	177.5	-120.1	0	0	0	111.9	I140 D141 N142 L147 T148 S157 L158 A161	I140-H144 VanDerWaalsContact O-CB 3.26Å; I140-H144 WeakPolarHBondContact O-CB 3.41Å; I140-H144 PolarHBondContact O-N 3.46Å; D141-H144 WeakPolarHBondContact O-CB 3.46Å; D141-H144 PolarHBondContact O-N 3.42Å; N142-H144 VanDerWaalsContact C-N 3.31Å; H144-L147 PolarHBondContact O-N 3.32Å; H144-T148 WeakPolarHBondContact O-CB 3.32Å; H144-T148 PolarHBondContact O-N 3.28Å; H144-T148 PolarHBondContact O-OG1 3.37Å; H144-S157 WeakPolarHBondContact CD2-CB 3.32Å; H144-S157 PolarHBondContact CD2-OG 2.86Å; H144-S157 PolarHBondContact NE2-OG 3.18Å; H144-L158 PolarHBondContact CD2-N 3.44Å; H144-L158 VanDerWaalsContact CD2-N 3.32Å; H144-A161 HydrophobicContact CB-CB 3.92Å
145	Y	68	Low	62.1	Low	56 Å²	56	54.6 Å²	54.6	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-46	175.7	175.5	-94.1	0	0	0	111.5	S123 D141 N142 L147 T148 C149	S123-Y145 WeakPolarHBondContact CB-OH 3.39Å; S123-Y145 PolarHBondContact N-OH 2.74Å; S123-Y145 PolarHBondContact OG-OH 3.33Å; D141-Y145 VanDerWaalsContact O-CB 3.27Å; D141-Y145 WeakPolarHBondContact O-CB 3.5Å; D141-Y145 PolarHBondContact O-N 2.85Å; N142-Y145 PolarHBondContact O-N 3.07Å; Y145-L147 PolarHBondContact O-N 2.99Å; Y145-T148 CarbonylContact O-C 3.58Å; Y145-T148 WeakPolarHBondContact O-CB 3.36Å; Y145-T148 PolarHBondContact O-N 3.36Å; Y145-T148 VanDerWaalsContact O-N 3.17Å; Y145-C149 WeakPolarHBondContact CE1-SG 3.46Å; Y145-C149 WeakPolarHBondContact O-CB 3.41Å; Y145-C149 PolarHBondContact O-N 3.35Å; Y145-C149 PolarHBondContact O-SG 3.35Å; Y145-C149 PolarHBondContact OH-SG 3.38Å
146	A	69.4	Low	63.1	Low	3 Å²	3	54.5 Å²	54.5	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-46	176.5	0	0	0	0	0	111.7	N142 I143 T148 C149 L150 V193 Y194 L197	N142-A146 WeakPolarHBondContact O-CB 3.38Å; N142-A146 PolarHBondContact O-N 2.85Å; I143-A146 PolarHBondContact O-N 2.98Å; A146-T148 VanDerWaalsContact C-N 3.3Å; A146-T148 PolarHBondContact O-N 3.29Å; A146-C149 PolarHBondContact O-N 3.1Å; A146-L150 WeakPolarHBondContact O-CB 3.44Å; A146-L150 WeakPolarHBondContact O-CG 3.38Å; A146-L150 PolarHBondContact O-N 3.2Å; A146-V193 HydrophobicContact CB-CG1 4.08Å; A146-Y194 HydrophobicContact CB-CE1 4.02Å; A146-L197 HydrophobicContact CB-CD1 4.18Å
147	L	72.4	Confident	64.7	Low	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-39.4	174.7	-70.5	170.7	0	0	0	111.7	I143 H144 Y145 L150 R151 L152 L160 A161 I164 I238	I143-L147 HydrophobicContact CG2-CD1 3.88Å; I143-L147 HydrophobicContact CG2-CG 4.26Å; I143-L147 WeakPolarHBondContact O-CB 3.19Å; I143-L147 VanDerWaalsContact O-CG 3.23Å; I143-L147 WeakPolarHBondContact O-CG 3.37Å; I143-L147 PolarHBondContact O-N 3.03Å; H144-L147 PolarHBondContact O-N 3.32Å; Y145-L147 PolarHBondContact O-N 2.99Å; L147-L150 CarbonylContact O-C 3.58Å; L147-L150 PolarHBondContact O-N 3.03Å; L147-R151 PolarHBondContact O-N 3.38Å; L147-L152 HydrophobicContact CB-CB 4.44Å; L147-L152 HydrophobicContact CD2-CB 4.22Å; L147-L152 HydrophobicContact CD2-CD1 3.7Å; L147-L152 WeakPolarHBondContact O-CB 3.39Å; L147-L152 PolarHBondContact O-N 3.16Å; L147-L160 HydrophobicContact CD1-CB 4.13Å; L147-L160 HydrophobicContact CD1-CD2 3.72Å; L147-L160 HydrophobicContact CD1-CG 3.84Å; L147-L160 HydrophobicContact CD2-CD2 3.88Å; L147-L160 HydrophobicContact CG-CD2 4.4Å; L147-A161 HydrophobicContact CD1-CB 4.18Å; L147-I164 HydrophobicContact CD1-CD1 4.14Å; L147-I164 HydrophobicContact CD2-CD1 4.28Å; L147-I238 HydrophobicContact CD2-CD1 4.22Å
148	T	69.7	Low	65.6	Low	58 Å²	58	51.3 Å²	51.3	36%	0.356	27%	0.267	S	S	.	.	H	α-helix	trans	-66	-44.7	176.2	-55	0	0	0	0	111.2	H144 Y145 A146 L150 R151	H144-T148 WeakPolarHBondContact O-CB 3.32Å; H144-T148 PolarHBondContact O-N 3.28Å; H144-T148 PolarHBondContact O-OG1 3.37Å; Y145-T148 CarbonylContact O-C 3.58Å; Y145-T148 WeakPolarHBondContact O-CB 3.36Å; Y145-T148 PolarHBondContact O-N 3.36Å; Y145-T148 VanDerWaalsContact O-N 3.17Å; A146-T148 VanDerWaalsContact C-N 3.3Å; A146-T148 PolarHBondContact O-N 3.29Å; T148-L150 VanDerWaalsContact C-N 3.28Å; T148-L150 PolarHBondContact O-N 3.31Å; T148-R151 WeakPolarHBondContact O-CA 3.49Å; T148-R151 PolarHBondContact O-N 3.05Å
149	C	63.6	Low	66.8	Low	22 Å²	22	53.3 Å²	53.3	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-36.7	173.4	-77.2	0	0	0	0	112.1	A121 Y145 A146 R151 P252	A121-C149 HydrophobicContact CB-CB 4.19Å; Y145-C149 WeakPolarHBondContact CE1-SG 3.46Å; Y145-C149 WeakPolarHBondContact O-CB 3.41Å; Y145-C149 PolarHBondContact O-N 3.35Å; Y145-C149 PolarHBondContact O-SG 3.35Å; Y145-C149 PolarHBondContact OH-SG 3.38Å; A146-C149 PolarHBondContact O-N 3.1Å; C149-R151 PolarHBondContact O-N 3.04Å; C149-P252 WeakPolarHBondContact O-CD 3.47Å; C149-P252 VanDerWaalsContact O-CG 3.26Å; C149-P252 WeakPolarHBondContact O-CG 3.19Å
150	L	65.4	Low	67.2	Low	9 Å²	9	52.8 Å²	52.8	5%	0.047	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	0.8	173.6	-68.1	169.6	0	0	0	112.9	A146 L147 T148 L152 Y194 L197 Q241 L248	A146-L150 WeakPolarHBondContact O-CB 3.44Å; A146-L150 WeakPolarHBondContact O-CG 3.38Å; A146-L150 PolarHBondContact O-N 3.2Å; L147-L150 CarbonylContact O-C 3.58Å; L147-L150 PolarHBondContact O-N 3.03Å; T148-L150 VanDerWaalsContact C-N 3.28Å; T148-L150 PolarHBondContact O-N 3.31Å; L150-L152 HydrophobicContact CB-CB 4.47Å; L150-L152 HydrophobicContact CB-CD1 3.63Å; L150-L152 HydrophobicContact CB-CG 3.86Å; L150-L152 HydrophobicContact CD1-CD1 3.88Å; L150-L152 HydrophobicContact CG-CD1 4.39Å; L150-L152 PolarHBondContact O-N 3.37Å; L150-Y194 HydrophobicContact CD1-CE1 4.38Å; L150-Y194 HydrophobicContact CG-CE1 4.46Å; L150-L197 HydrophobicContact CD1-CD1 4.49Å; L150-Q241 HydrophobicContact CD2-CB 3.47Å; L150-Q241 VanDerWaalsContact CD2-CB 3.47Å; L150-Q241 HydrophobicContact CD2-CG 3.99Å; L150-L248 HydrophobicContact CD2-CD1 3.31Å; L150-L248 HydrophobicContact CG-CD1 4.42Å
151	R	64.3	Low	67.5	Low	118 Å²	118	50.1 Å²	50.1	45%	0.445	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	30.3	-172.7	-66.4	-176.7	171.5	156.4	0	112.9	K103 L147 T148 C149 V153 P252 Y253	K103-R151 PolarHBondContact O-NH1 2.81Å; L147-R151 PolarHBondContact O-N 3.38Å; T148-R151 WeakPolarHBondContact O-CA 3.49Å; T148-R151 PolarHBondContact O-N 3.05Å; C149-R151 PolarHBondContact O-N 3.04Å; R151-V153 PolarHBondContact O-N 3.19Å; R151-P252 HydrophobicContact CG-CB 4.23Å; R151-Y253 PolarHBondContact NH2-O 2.67Å
152	L	60.4	Low	68.1	Low	7 Å²	7	52 Å²	52	4%	0.037	26%	0.263	C	S	.	.			trans	-85.4	103	178.7	-73.7	167.9	0	0	0	109.8	L147 L150 I237 I238	L147-L152 HydrophobicContact CB-CB 4.44Å; L147-L152 HydrophobicContact CD2-CB 4.22Å; L147-L152 HydrophobicContact CD2-CD1 3.7Å; L147-L152 WeakPolarHBondContact O-CB 3.39Å; L147-L152 PolarHBondContact O-N 3.16Å; L150-L152 HydrophobicContact CB-CB 4.47Å; L150-L152 HydrophobicContact CB-CD1 3.63Å; L150-L152 HydrophobicContact CB-CG 3.86Å; L150-L152 HydrophobicContact CD1-CD1 3.88Å; L150-L152 HydrophobicContact CG-CD1 4.39Å; L150-L152 PolarHBondContact O-N 3.37Å; L152-I237 HydrophobicContact CD2-CB 3.7Å; L152-I237 HydrophobicContact CD2-CD1 4Å; L152-I237 HydrophobicContact CD2-CG1 4.47Å; L152-I237 HydrophobicContact CD2-CG2 3.35Å; L152-I237 HydrophobicContact CG-CG2 4.37Å; L152-I238 HydrophobicContact CD1-CD1 4.49Å; L152-I238 HydrophobicContact CD1-CG1 3.62Å
153	V	60.3	Low	68.7	Low	70 Å²	70	53.1 Å²	53.1	42%	0.424	27%	0.274	S	S	.	.			trans	44.2	78	170.8	-163.4	0	0	0	0	113.4	R151 D155 R156 S157	R151-V153 PolarHBondContact O-N 3.19Å; V153-D155 PolarHBondContact O-N 3.27Å; V153-R156 HydrophobicContact CB-CB 4.46Å; V153-R156 HydrophobicContact CG1-CB 3.69Å; V153-R156 HydrophobicContact CG1-CG 3.96Å; V153-R156 PolarHBondContact O-N 2.95Å; V153-S157 PolarHBondContact O-N 3.12Å
154	T	59	Low	68.9	Low	99 Å²	99	53 Å²	53	61%	0.607	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.2	-179	50.5	0	0	0	0	114	S157	T154-S157 PolarHBondContact O-OG 2.87Å
155	D	61.8	Low	69.1	Low	152 Å²	152	51.4 Å²	51.4	81%	0.813	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.4	-176.1	-61.1	-7.5	0	0	0	113.4	V153	V153-D155 PolarHBondContact O-N 3.27Å
156	R	66.5	Low	69.6	Low	134 Å²	134	50.2 Å²	50.2	51%	0.506	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	2.7	-177.6	-61	-173.1	179.6	-174.9	-1.2	114.1	V153 L158 S159 L160	V153-R156 HydrophobicContact CB-CB 4.46Å; V153-R156 HydrophobicContact CG1-CB 3.69Å; V153-R156 HydrophobicContact CG1-CG 3.96Å; V153-R156 PolarHBondContact O-N 2.95Å; R156-L158 PolarHBondContact O-N 3.29Å; R156-L158 VanDerWaalsContact O-N 3.16Å; R156-S159 PolarHBondContact O-N 2.96Å; R156-S159 VanDerWaalsContact O-N 3.1Å; R156-S159 PolarHBondContact O-OG 2.68Å; R156-L160 PolarHBondContact O-N 3.12Å
157	S	69	Low	69.9	Low	5 Å²	5	52.1 Å²	52.1	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-52.4	-38.8	-177.2	50.7	0	0	0	0	112.1	H144 V153 T154 L160 A161	H144-S157 WeakPolarHBondContact CD2-CB 3.32Å; H144-S157 PolarHBondContact CD2-OG 2.86Å; H144-S157 PolarHBondContact NE2-OG 3.18Å; V153-S157 PolarHBondContact O-N 3.12Å; T154-S157 PolarHBondContact O-OG 2.87Å; S157-L160 PolarHBondContact O-N 2.75Å; S157-A161 VanDerWaalsContact O-CB 3.3Å; S157-A161 WeakPolarHBondContact O-CB 2.8Å; S157-A161 PolarHBondContact O-N 2.76Å
158	L	69.9	Low	69.9	Low	77 Å²	77	52.2 Å²	52.2	40%	0.403	28%	0.279	S	S	.	.	H	α-helix	trans	-68.5	-44.3	178.6	-178.1	64.5	0	0	0	112.8	I140 H144 R156 L160 A161 K162	I140-L158 HydrophobicContact CG2-CD1 4.35Å; H144-L158 PolarHBondContact CD2-N 3.44Å; H144-L158 VanDerWaalsContact CD2-N 3.32Å; R156-L158 PolarHBondContact O-N 3.29Å; R156-L158 VanDerWaalsContact O-N 3.16Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 2.87Å; L158-A161 PolarHBondContact O-N 3.25Å; L158-K162 WeakPolarHBondContact O-CG 3.26Å; L158-K162 PolarHBondContact O-N 3.21Å; L158-K162 VanDerWaalsContact O-N 3.1Å
159	S	74.5	Confident	70.2	Confident	73 Å²	73	54.2 Å²	54.2	51%	0.51	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-39.4	175.6	45.2	0	0	0	0	111.6	R156 K162 A163	R156-S159 PolarHBondContact O-N 2.96Å; R156-S159 VanDerWaalsContact O-N 3.1Å; R156-S159 PolarHBondContact O-OG 2.68Å; S159-K162 PolarHBondContact O-N 2.59Å; S159-A163 PolarHBondContact O-N 2.99Å; S159-A163 VanDerWaalsContact O-N 3.09Å
160	L	73	Confident	70.8	Confident	20 Å²	20	56.9 Å²	56.9	11%	0.105	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-42.2	177.7	-178.4	64.9	0	0	0	111.6	L147 R156 S157 L158 K162 A163 I164 L231 V234	L147-L160 HydrophobicContact CD1-CB 4.13Å; L147-L160 HydrophobicContact CD1-CD2 3.72Å; L147-L160 HydrophobicContact CD1-CG 3.84Å; L147-L160 HydrophobicContact CD2-CD2 3.88Å; L147-L160 HydrophobicContact CG-CD2 4.4Å; R156-L160 PolarHBondContact O-N 3.12Å; S157-L160 PolarHBondContact O-N 2.75Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 2.87Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.42Å; L160-A163 PolarHBondContact O-N 3.13Å; L160-A163 VanDerWaalsContact O-N 3.12Å; L160-I164 HydrophobicContact CD1-CD1 4.39Å; L160-I164 HydrophobicContact CD1-CG1 4.46Å; L160-I164 HydrophobicContact CG-CD1 4.08Å; L160-I164 WeakPolarHBondContact O-CG1 3.34Å; L160-I164 PolarHBondContact O-N 2.61Å; L160-L231 HydrophobicContact CD1-CD1 3.84Å; L160-V234 HydrophobicContact CD1-CG1 4.02Å; L160-V234 HydrophobicContact CD2-CB 4.48Å; L160-V234 HydrophobicContact CD2-CG1 3.51Å; L160-V234 HydrophobicContact CD2-CG2 4.19Å; L160-V234 HydrophobicContact CG-CG1 4.32Å
161	A	74.6	Confident	71.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-39.8	175.1	0	0	0	0	0	112.1	I140 I143 H144 L147 S157 L158 N165	I140-A161 HydrophobicContact CG2-CB 4.18Å; I143-A161 HydrophobicContact CB-CB 4.09Å; I143-A161 HydrophobicContact CG2-CB 3.78Å; H144-A161 HydrophobicContact CB-CB 3.92Å; L147-A161 HydrophobicContact CD1-CB 4.18Å; S157-A161 VanDerWaalsContact O-CB 3.3Å; S157-A161 WeakPolarHBondContact O-CB 2.8Å; S157-A161 PolarHBondContact O-N 2.76Å; L158-A161 PolarHBondContact O-N 3.25Å; A161-N165 WeakPolarHBondContact O-CB 3.12Å; A161-N165 PolarHBondContact O-N 3.39Å
162	K	79.3	Confident	71.5	Confident	119 Å²	119	56.9 Å²	56.9	52%	0.517	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-42.6	173.9	-71.4	176.8	179.9	-178.4	0	112.3	I140 L158 S159 L160 N165 A166	I140-K162 HydrophobicContact CG2-CG 4.17Å; L158-K162 WeakPolarHBondContact O-CG 3.26Å; L158-K162 PolarHBondContact O-N 3.21Å; L158-K162 VanDerWaalsContact O-N 3.1Å; S159-K162 PolarHBondContact O-N 2.59Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.42Å; K162-N165 PolarHBondContact O-N 3.32Å; K162-A166 PolarHBondContact O-N 3.03Å
163	A	77.5	Confident	72.1	Confident	36 Å²	36	64.3 Å²	64.3	30%	0.298	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-46.6	177.1	0	0	0	0	0	111.9	S159 L160 N165 A166 I167	S159-A163 PolarHBondContact O-N 2.99Å; S159-A163 VanDerWaalsContact O-N 3.09Å; L160-A163 PolarHBondContact O-N 3.13Å; L160-A163 VanDerWaalsContact O-N 3.12Å; A163-N165 VanDerWaalsContact C-N 3.34Å; A163-N165 PolarHBondContact O-N 2.75Å; A163-A166 WeakPolarHBondContact O-CB 3.45Å; A163-A166 PolarHBondContact O-N 3.33Å; A163-A166 VanDerWaalsContact O-N 3.14Å; A163-I167 WeakPolarHBondContact O-CG1 3.38Å; A163-I167 PolarHBondContact O-N 2.78Å; A163-I167 VanDerWaalsContact O-N 3.08Å
164	I	76.2	Confident	72.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-43.8	175.9	-66.8	174.6	0	0	0	110.7	I143 L147 L160 A166 I167 I168 L197 I238	I143-I164 HydrophobicContact CD1-CG2 4.21Å; I143-I164 HydrophobicContact CG2-CB 4.29Å; I143-I164 HydrophobicContact CG2-CD1 4.23Å; I143-I164 HydrophobicContact CG2-CG2 4.21Å; L147-I164 HydrophobicContact CD1-CD1 4.14Å; L147-I164 HydrophobicContact CD2-CD1 4.28Å; L160-I164 HydrophobicContact CD1-CD1 4.39Å; L160-I164 HydrophobicContact CD1-CG1 4.46Å; L160-I164 HydrophobicContact CG-CD1 4.08Å; L160-I164 WeakPolarHBondContact O-CG1 3.34Å; L160-I164 PolarHBondContact O-N 2.61Å; I164-A166 VanDerWaalsContact C-N 3.25Å; I164-A166 PolarHBondContact O-N 2.79Å; I164-I167 PolarHBondContact O-N 3.09Å; I164-I167 VanDerWaalsContact O-N 3.11Å; I164-I168 HydrophobicContact CG2-CD1 3.88Å; I164-I168 HydrophobicContact CG2-CG1 4.37Å; I164-I168 WeakPolarHBondContact O-CG1 3.25Å; I164-I168 PolarHBondContact O-N 3.26Å; I164-L197 HydrophobicContact CD1-CD2 3.7Å; I164-L197 HydrophobicContact CG2-CD2 3.84Å; I164-I238 HydrophobicContact CD1-CD1 4.36Å
165	N	76.3	Confident	72.9	Confident	22 Å²	22	59 Å²	59	12%	0.118	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-37.8	176.1	-175.5	67.9	0	0	0	111.8	L139 I140 I143 A161 K162 A163 I168 L169	L139-N165 WeakPolarHBondContact CD2-OD1 3.34Å; I140-N165 HydrophobicContact CG1-CB 3.94Å; I143-N165 HydrophobicContact CD1-CB 4.2Å; A161-N165 WeakPolarHBondContact O-CB 3.12Å; A161-N165 PolarHBondContact O-N 3.39Å; K162-N165 PolarHBondContact O-N 3.32Å; A163-N165 VanDerWaalsContact C-N 3.34Å; A163-N165 PolarHBondContact O-N 2.75Å; N165-I168 PolarHBondContact O-N 3.09Å; N165-L169 WeakPolarHBondContact O-CB 3.43Å; N165-L169 VanDerWaalsContact O-CG 3.25Å; N165-L169 WeakPolarHBondContact O-CG 3.4Å; N165-L169 PolarHBondContact O-N 3.48Å
166	A	78.6	Confident	73.3	Confident	30 Å²	30	58.5 Å²	58.5	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-40.7	174.3	0	0	0	0	0	112.3	K162 A163 I164 L169 S170 I223	K162-A166 PolarHBondContact O-N 3.03Å; A163-A166 WeakPolarHBondContact O-CB 3.45Å; A163-A166 PolarHBondContact O-N 3.33Å; A163-A166 VanDerWaalsContact O-N 3.14Å; I164-A166 VanDerWaalsContact C-N 3.25Å; I164-A166 PolarHBondContact O-N 2.79Å; A166-L169 CarbonylContact O-C 3.57Å; A166-L169 PolarHBondContact O-N 2.91Å; A166-S170 PolarHBondContact O-N 2.7Å; A166-S170 PolarHBondContact O-OG 3.32Å; A166-I223 HydrophobicContact CB-CD1 4.15Å
167	I	76.1	Confident	73.2	Confident	43 Å²	43	56.1 Å²	56.1	22%	0.221	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-43.7	176.1	-61.8	165.6	0	0	0	111.2	A163 I164 L169 S170 E171 V200 L231 F235	A163-I167 WeakPolarHBondContact O-CG1 3.38Å; A163-I167 PolarHBondContact O-N 2.78Å; A163-I167 VanDerWaalsContact O-N 3.08Å; I164-I167 PolarHBondContact O-N 3.09Å; I164-I167 VanDerWaalsContact O-N 3.11Å; I167-L169 VanDerWaalsContact C-N 3.26Å; I167-L169 PolarHBondContact O-N 2.84Å; I167-S170 WeakPolarHBondContact CA-OG 3.47Å; I167-S170 PolarHBondContact O-N 3.28Å; I167-S170 PolarHBondContact O-OG 2.83Å; I167-E171 PolarHBondContact O-N 2.72Å; I167-V200 HydrophobicContact CB-CG1 4.37Å; I167-V200 HydrophobicContact CD1-CG1 4.41Å; I167-V200 HydrophobicContact CG2-CG1 3.78Å; I167-L231 HydrophobicContact CD1-CD2 4.32Å; I167-F235 HydrophobicContact CD1-CZ 3.98Å
168	I	72.9	Confident	73	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-39.4	176.3	-67.6	169.6	0	0	0	110.5	I143 I164 N165 S170 L174 I175 V178 V200	I143-I168 HydrophobicContact CD1-CD1 3.95Å; I164-I168 HydrophobicContact CG2-CD1 3.88Å; I164-I168 HydrophobicContact CG2-CG1 4.37Å; I164-I168 WeakPolarHBondContact O-CG1 3.25Å; I164-I168 PolarHBondContact O-N 3.26Å; N165-I168 PolarHBondContact O-N 3.09Å; I168-S170 VanDerWaalsContact C-N 3.34Å; I168-L174 HydrophobicContact CG2-CB 4.48Å; I168-I175 VanDerWaalsContact O-CG1 3.3Å; I168-I175 WeakPolarHBondContact O-CG1 3.04Å; I168-V178 HydrophobicContact CG2-CG2 4.13Å; I168-V200 HydrophobicContact CG1-CG2 3.82Å
169	L	76.2	Confident	72.6	Confident	99 Å²	99	60.7 Å²	60.7	52%	0.518	32%	0.319	S	S	.	.	H	α-helix	trans	-79.6	-9.7	179.6	-69.5	175.9	0	0	0	114.4	N165 A166 I167 I175	N165-L169 WeakPolarHBondContact O-CB 3.43Å; N165-L169 VanDerWaalsContact O-CG 3.25Å; N165-L169 WeakPolarHBondContact O-CG 3.4Å; N165-L169 PolarHBondContact O-N 3.48Å; A166-L169 CarbonylContact O-C 3.57Å; A166-L169 PolarHBondContact O-N 2.91Å; I167-L169 VanDerWaalsContact C-N 3.26Å; I167-L169 PolarHBondContact O-N 2.84Å; L169-I175 WeakPolarHBondContact O-CD1 3.26Å
170	S	75.3	Confident	71.9	Confident	79 Å²	79	64.8 Å²	64.8	55%	0.552	33%	0.328	S	S	*	.	H	α-helix	trans	-91	-24.6	173.2	56	0	0	0	0	113.3	A166 I167 I168 P172	A166-S170 PolarHBondContact O-N 2.7Å; A166-S170 PolarHBondContact O-OG 3.32Å; I167-S170 WeakPolarHBondContact CA-OG 3.47Å; I167-S170 PolarHBondContact O-N 3.28Å; I167-S170 PolarHBondContact O-OG 2.83Å; I168-S170 VanDerWaalsContact C-N 3.34Å; S170-P172 WeakPolarHBondContact O-CD 3.42Å
171	E	74.1	Confident	71.2	Confident	37 Å²	37	66.7 Å²	66.7	17%	0.173	34%	0.337	C	S	.	.			trans	-95.1	110.1	-172.2	-180	50.9	-133.4	0	0	112.2	I167 K173 L174 I175	I167-E171 PolarHBondContact O-N 2.72Å; E171-K173 VanDerWaalsContact C-N 3.26Å; E171-K173 HydrophobicContact CG-CB 4.41Å; E171-K173 PolarHBondContact O-N 2.75Å; E171-K173 VanDerWaalsContact O-N 3.14Å; E171-L174 HydrophobicContact CB-CB 4.12Å; E171-L174 HydrophobicContact CB-CD1 3.92Å; E171-L174 HydrophobicContact CB-CG 4.08Å; E171-L174 HydrophobicContact CG-CB 4.16Å; E171-L174 HydrophobicContact CG-CD1 3.92Å; E171-L174 HydrophobicContact CG-CG 3.75Å; E171-L174 PolarHBondContact O-N 2.97Å; E171-I175 VanDerWaalsContact O-CG1 3.24Å; E171-I175 WeakPolarHBondContact O-CG1 3.36Å; E171-I175 PolarHBondContact O-N 3.4Å
172	P	71.1	Confident	70.3	Confident	90 Å²	90	72 Å²	72	58%	0.584	37%	0.366	S	S	*	.	H	α-helix	trans	-57.7	-34.1	-174.1	21	-32.3	0	0	0	113.9	S170 E176	S170-P172 WeakPolarHBondContact O-CD 3.42Å; P172-E176 PolarHBondContact O-N 2.73Å; P172-E176 VanDerWaalsContact O-N 3.1Å
173	K	72.3	Confident	69.1	Low	163 Å²	163	70.3 Å²	70.3	71%	0.709	37%	0.365	S	S	*	.	H	α-helix	trans	-67.9	-33	177	-67.8	177.4	-179.9	171.3	0	113.1	E171	E171-K173 VanDerWaalsContact C-N 3.26Å; E171-K173 HydrophobicContact CG-CB 4.41Å; E171-K173 PolarHBondContact O-N 2.75Å; E171-K173 VanDerWaalsContact O-N 3.14Å
174	L	69.8	Low	67.8	Low	11 Å²	11	74.8 Å²	74.8	6%	0.058	38%	0.383	C	S	.	.	H	α-helix	trans	-82.9	-38.1	177	-64.2	177.9	0	0	0	110.9	I168 E171 E176 K177 V178 L196 E199 V200	I168-L174 HydrophobicContact CG2-CB 4.48Å; E171-L174 HydrophobicContact CB-CB 4.12Å; E171-L174 HydrophobicContact CB-CD1 3.92Å; E171-L174 HydrophobicContact CB-CG 4.08Å; E171-L174 HydrophobicContact CG-CB 4.16Å; E171-L174 HydrophobicContact CG-CD1 3.92Å; E171-L174 HydrophobicContact CG-CG 3.75Å; E171-L174 PolarHBondContact O-N 2.97Å; L174-E176 VanDerWaalsContact C-N 3.31Å; L174-E176 PolarHBondContact O-N 3.03Å; L174-K177 WeakPolarHBondContact O-CB 3.44Å; L174-K177 PolarHBondContact O-N 2.8Å; L174-K177 VanDerWaalsContact O-N 3.14Å; L174-V178 PolarHBondContact O-N 2.99Å; L174-L196 HydrophobicContact CD2-CD2 3.99Å; L174-E199 HydrophobicContact CD2-CB 4.16Å; L174-E199 WeakPolarHBondContact CD2-OE2 3.02Å; L174-V200 HydrophobicContact CD1-CG2 3.62Å
175	I	67	Low	66.9	Low	45 Å²	45	79.3 Å²	79.3	23%	0.231	40%	0.404	C	S	.	.	H	α-helix	trans	-56.6	-45.1	174.9	-66.9	166.7	0	0	0	110.4	I168 L169 E171 K177 V178 K179	I168-I175 VanDerWaalsContact O-CG1 3.3Å; I168-I175 WeakPolarHBondContact O-CG1 3.04Å; L169-I175 WeakPolarHBondContact O-CD1 3.26Å; E171-I175 VanDerWaalsContact O-CG1 3.24Å; E171-I175 WeakPolarHBondContact O-CG1 3.36Å; E171-I175 PolarHBondContact O-N 3.4Å; I175-K177 PolarHBondContact O-N 2.82Å; I175-V178 PolarHBondContact O-N 3.05Å; I175-K179 HydrophobicContact CG2-CB 4.07Å; I175-K179 HydrophobicContact CG2-CD 3.99Å; I175-K179 HydrophobicContact CG2-CG 4.5Å; I175-K179 WeakPolarHBondContact O-CB 3.15Å; I175-K179 PolarHBondContact O-N 3.24Å
176	E	68.3	Low	65.9	Low	143 Å²	143	78.9 Å²	78.9	67%	0.668	40%	0.402	S	S	*	.	H	α-helix	trans	-58.2	-33.7	-179.3	-165.4	177.6	-171.8	0	0	112.5	P172 L174	P172-E176 PolarHBondContact O-N 2.73Å; P172-E176 VanDerWaalsContact O-N 3.1Å; L174-E176 VanDerWaalsContact C-N 3.31Å; L174-E176 PolarHBondContact O-N 3.03Å
177	K	65.8	Low	64.7	Low	83 Å²	83	78.5 Å²	78.5	36%	0.361	40%	0.395	S	S	.	.	H	α-helix	trans	-72.2	-28.7	176.4	-65.4	179.5	-178	170.9	0	113.2	L174 I175 M181 E199	L174-K177 WeakPolarHBondContact O-CB 3.44Å; L174-K177 PolarHBondContact O-N 2.8Å; L174-K177 VanDerWaalsContact O-N 3.14Å; I175-K177 PolarHBondContact O-N 2.82Å; K177-M181 WeakPolarHBondContact O-CE 3.3Å; K177-M181 VanDerWaalsContact O-SD 3.38Å; K177-E199 IonicContact NZ-OE1 3.68Å; K177-E199 PolarHBondContact NZ-OE1 3.3Å; K177-E199 IonicContact NZ-OE2 3.12Å; K177-E199 PolarHBondContact NZ-OE2 2.77Å
178	V	64.1	Low	63.8	Low	22 Å²	22	84.4 Å²	84.4	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-102.7	-27.8	-172.9	-176.7	0	0	0	0	112.3	L139 I168 L174 I175 F180 M181 L196	L139-V178 HydrophobicContact CD2-CG1 3.89Å; I168-V178 HydrophobicContact CG2-CG2 4.13Å; L174-V178 PolarHBondContact O-N 2.99Å; I175-V178 PolarHBondContact O-N 3.05Å; V178-F180 PolarHBondContact O-N 2.77Å; V178-F180 VanDerWaalsContact O-N 3.15Å; V178-M181 PolarHBondContact O-N 2.96Å; V178-M181 VanDerWaalsContact O-N 3.16Å; V178-L196 HydrophobicContact CG2-CD1 3.76Å; V178-L196 HydrophobicContact CG2-CD2 4.24Å
179	K	62.8	Low	63.3	Low	156 Å²	156	86.8 Å²	86.8	68%	0.678	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22	-169.7	-174.3	174.8	-178.5	-178.3	0	114.6	I175	I175-K179 HydrophobicContact CG2-CB 4.07Å; I175-K179 HydrophobicContact CG2-CD 3.99Å; I175-K179 HydrophobicContact CG2-CG 4.5Å; I175-K179 WeakPolarHBondContact O-CB 3.15Å; I175-K179 PolarHBondContact O-N 3.24Å
180	F	58	Low	62.8	Low	159 Å²	159	84 Å²	84	70%	0.697	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-1.9	180	-62.1	-72.4	0	0	0	114	V178	V178-F180 PolarHBondContact O-N 2.77Å; V178-F180 VanDerWaalsContact O-N 3.15Å
181	M	58.7	Low	62.5	Low	60 Å²	60	82.2 Å²	82.2	30%	0.296	39%	0.391	S	S	.	.			trans	-83.9	124.5	-175.6	-73	-179	-179.3	0	0	111.3	K177 V178 E185 L186 L192	K177-M181 WeakPolarHBondContact O-CE 3.3Å; K177-M181 VanDerWaalsContact O-SD 3.38Å; V178-M181 PolarHBondContact O-N 2.96Å; V178-M181 VanDerWaalsContact O-N 3.16Å; M181-E185 WeakPolarHBondContact CA-OE2 3.49Å; M181-E185 HydrophobicContact CB-CB 4.47Å; M181-L186 HydrophobicContact SD-CD1 4.31Å; M181-L192 HydrophobicContact CE-CD1 4.44Å; M181-L192 HydrophobicContact CE-CD2 3.38Å; M181-L192 HydrophobicContact SD-CD2 3.14Å; M181-L192 WeakPolarHBondContact SD-CD2 3.48Å
182	N	57.1	Low	62.4	Low	113 Å²	113	81.2 Å²	81.2	60%	0.604	39%	0.387	S	S	*	.			trans	-66.4	151.8	169.8	-78.1	-36.7	0	0	0	110.1	L184 E185 L186	N182-L184 PolarHBondContact O-N 2.9Å; N182-E185 HydrophobicContact CB-CG 4.45Å; N182-E185 PolarHBondContact N-OE2 3.49Å; N182-E185 VanDerWaalsContact N-OE2 3.1Å; N182-E185 WeakPolarHBondContact O-CA 3.4Å; N182-E185 WeakPolarHBondContact O-CB 3.32Å; N182-E185 PolarHBondContact O-N 2.79Å; N182-L186 PolarHBondContact O-N 3.15Å
183	V	52	Low	62.5	Low	83 Å²	83	77.3 Å²	77.3	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-51.8	-34.6	175.2	178.3	0	0	0	0	111.1	P136 H187	P136-V183 HydrophobicContact CB-CG1 3.97Å; V183-H187 VanDerWaalsContact O-CB 3.25Å; V183-H187 WeakPolarHBondContact O-CB 3.46Å; V183-H187 PolarHBondContact O-N 3.43Å; V183-H187 VanDerWaalsContact O-N 3.07Å
184	L	50.4	Low	62.7	Low	130 Å²	130	69.6 Å²	69.6	68%	0.681	33%	0.328	S	S	*	.	H	α-helix	trans	-67.6	-35.1	176	-159.7	77.6	0	0	0	113.5	N182 R188	N182-L184 PolarHBondContact O-N 2.9Å; L184-R188 PolarHBondContact O-N 2.78Å
185	E	58.9	Low	63.1	Low	95 Å²	95	73.5 Å²	73.5	44%	0.444	34%	0.344	S	S	.	.	H	α-helix	trans	-74	-43.7	177	-73.9	174.8	153.3	0	0	111.1	M181 N182 H187 R188 Q189	M181-E185 WeakPolarHBondContact CA-OE2 3.49Å; M181-E185 HydrophobicContact CB-CB 4.47Å; N182-E185 HydrophobicContact CB-CG 4.45Å; N182-E185 PolarHBondContact N-OE2 3.49Å; N182-E185 VanDerWaalsContact N-OE2 3.1Å; N182-E185 WeakPolarHBondContact O-CA 3.4Å; N182-E185 WeakPolarHBondContact O-CB 3.32Å; N182-E185 PolarHBondContact O-N 2.79Å; E185-H187 VanDerWaalsContact C-N 3.28Å; E185-H187 PolarHBondContact O-N 2.91Å; E185-R188 WeakPolarHBondContact O-CB 3.34Å; E185-R188 PolarHBondContact O-N 2.83Å; E185-R188 VanDerWaalsContact O-N 3.1Å; E185-Q189 WeakPolarHBondContact O-CG 3.45Å; E185-Q189 PolarHBondContact O-N 2.78Å
186	L	55.2	Low	63.6	Low	12 Å²	12	71.5 Å²	71.5	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-40.5	178.1	-163.4	81	0	0	0	111.3	L139 M181 N182 R188 Q189 L192	L139-L186 HydrophobicContact CB-CD2 3.79Å; L139-L186 HydrophobicContact CD1-CD1 4.24Å; L139-L186 HydrophobicContact CD1-CD2 3.57Å; L139-L186 HydrophobicContact CD1-CG 4.46Å; L139-L186 HydrophobicContact CG-CD2 4.26Å; M181-L186 HydrophobicContact SD-CD1 4.31Å; N182-L186 PolarHBondContact O-N 3.15Å; L186-R188 VanDerWaalsContact C-N 3.25Å; L186-R188 PolarHBondContact O-N 2.8Å; L186-Q189 PolarHBondContact O-N 3.13Å; L186-L192 HydrophobicContact CD1-CD2 4.27Å
187	H	51.9	Low	64	Low	23 Å²	23	64.8 Å²	64.8	11%	0.106	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-30.4	177	-170.5	53.5	0	0	0	113.6	I134 K135 V183 E185 Q189	I134-H187 WeakPolarHBondContact CA-NE2 3.14Å; I134-H187 WeakPolarHBondContact CB-NE2 3.33Å; I134-H187 WeakPolarHBondContact CG2-CE1 3.36Å; I134-H187 WeakPolarHBondContact CG2-NE2 3.34Å; I134-H187 PolarHBondContact O-NE2 3.21Å; K135-H187 PolarHBondContact N-NE2 2.85Å; K135-H187 PolarHBondContact O-CE1 3.34Å; K135-H187 PolarHBondContact O-NE2 2.62Å; V183-H187 VanDerWaalsContact O-CB 3.25Å; V183-H187 WeakPolarHBondContact O-CB 3.46Å; V183-H187 PolarHBondContact O-N 3.43Å; V183-H187 VanDerWaalsContact O-N 3.07Å; E185-H187 VanDerWaalsContact C-N 3.28Å; E185-H187 PolarHBondContact O-N 2.91Å; H187-Q189 VanDerWaalsContact C-N 3.27Å; H187-Q189 PolarHBondContact O-N 2.91Å
188	R	57.2	Low	64.7	Low	167 Å²	167	62.8 Å²	62.8	63%	0.63	29%	0.293	S	S	*	.	H	α-helix	trans	-78.3	-14.5	179.8	-150	177.5	-164.7	-170.8	2.2	112.8	L184 E185 L186	L184-R188 PolarHBondContact O-N 2.78Å; E185-R188 WeakPolarHBondContact O-CB 3.34Å; E185-R188 PolarHBondContact O-N 2.83Å; E185-R188 VanDerWaalsContact O-N 3.1Å; L186-R188 VanDerWaalsContact C-N 3.25Å; L186-R188 PolarHBondContact O-N 2.8Å
189	Q	64	Low	65.5	Low	52 Å²	52	63.8 Å²	63.8	24%	0.243	30%	0.296	C	S	.	.			trans	-125.5	63.2	-168.9	-58.7	-159.8	-12.6	0	0	111.6	E185 L186 H187 Y191 L192 V193	E185-Q189 WeakPolarHBondContact O-CG 3.45Å; E185-Q189 PolarHBondContact O-N 2.78Å; L186-Q189 PolarHBondContact O-N 3.13Å; H187-Q189 VanDerWaalsContact C-N 3.27Å; H187-Q189 PolarHBondContact O-N 2.91Å; Q189-Y191 HydrophobicContact CB-CD1 3.78Å; Q189-Y191 HydrophobicContact CB-CE1 3.44Å; Q189-Y191 VanDerWaalsContact CB-CE1 3.44Å; Q189-Y191 VanDerWaalsContact CD-CZ 3.46Å; Q189-Y191 HydrophobicContact CG-CD1 4.21Å; Q189-Y191 HydrophobicContact CG-CE1 3.42Å; Q189-Y191 VanDerWaalsContact CG-CE1 3.42Å; Q189-Y191 PolarHBondContact NE2-OH 2.87Å; Q189-Y191 PolarHBondContact O-N 2.85Å; Q189-Y191 PolarHBondContact OE1-OH 2.93Å; Q189-L192 HydrophobicContact CB-CB 3.75Å; Q189-L192 WeakPolarHBondContact O-CA 3.47Å; Q189-L192 VanDerWaalsContact O-CB 3.25Å; Q189-L192 WeakPolarHBondContact O-CB 3.42Å; Q189-L192 PolarHBondContact O-N 2.88Å; Q189-V193 PolarHBondContact O-N 2.83Å
190	Q	65.1	Low	66.3	Low	41 Å²	41	56.4 Å²	56.4	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-55.9	-34.7	171.7	-68.2	-174.7	-4.3	0	0	111.2	E120 A121 L192 V193 Y194	E120-Q190 HydrophobicContact CG-CB 4.1Å; E120-Q190 PolarHBondContact OE1-N 2.99Å; A121-Q190 PolarHBondContact O-OE1 3.3Å; A121-Q190 VanDerWaalsContact O-OE1 3.06Å; Q190-L192 PolarHBondContact O-N 2.77Å; Q190-V193 WeakPolarHBondContact O-CA 3.15Å; Q190-V193 WeakPolarHBondContact O-CB 3.44Å; Q190-V193 PolarHBondContact O-N 2.87Å; Q190-Y194 HydrophobicContact CB-CE2 4.07Å; Q190-Y194 WeakPolarHBondContact O-CD2 3.42Å; Q190-Y194 PolarHBondContact O-N 2.78Å
191	Y	69.8	Low	67.3	Low	42 Å²	42	48.8 Å²	48.8	17%	0.165	23%	0.231	C	C	.	.	H	α-helix	trans	-52.1	-36.9	170.5	81	-96.2	0	0	0	113.7	I118 E120 Q189 V193 Y194 K195 L269	I118-Y191 HydrophobicContact CG1-CG 4.45Å; I118-Y191 HydrophobicContact CG2-CG 4.4Å; E120-Y191 PolarHBondContact OE1-N 3.12Å; Q189-Y191 HydrophobicContact CB-CD1 3.78Å; Q189-Y191 HydrophobicContact CB-CE1 3.44Å; Q189-Y191 VanDerWaalsContact CB-CE1 3.44Å; Q189-Y191 VanDerWaalsContact CD-CZ 3.46Å; Q189-Y191 HydrophobicContact CG-CD1 4.21Å; Q189-Y191 HydrophobicContact CG-CE1 3.42Å; Q189-Y191 VanDerWaalsContact CG-CE1 3.42Å; Q189-Y191 PolarHBondContact NE2-OH 2.87Å; Q189-Y191 PolarHBondContact O-N 2.85Å; Q189-Y191 PolarHBondContact OE1-OH 2.93Å; Y191-V193 VanDerWaalsContact C-N 3.33Å; Y191-Y194 PolarHBondContact O-N 2.81Å; Y191-K195 VanDerWaalsContact O-CB 3.32Å; Y191-K195 WeakPolarHBondContact O-CB 3.34Å; Y191-K195 PolarHBondContact O-N 2.78Å; Y191-L269 HydrophobicContact CD1-CD1 3.62Å; Y191-L269 HydrophobicContact CD1-CD2 4.31Å; Y191-L269 HydrophobicContact CD2-CD1 3.99Å; Y191-L269 HydrophobicContact CE1-CD1 3.41Å; Y191-L269 VanDerWaalsContact CE1-CD1 3.41Å; Y191-L269 HydrophobicContact CE1-CD2 3.88Å; Y191-L269 HydrophobicContact CE1-CG 4.3Å; Y191-L269 HydrophobicContact CE2-CD1 3.86Å; Y191-L269 HydrophobicContact CG-CD1 3.88Å
192	L	70.8	Confident	68.4	Low	15 Å²	15	49.3 Å²	49.3	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-37.4	179.3	-174.2	75.7	0	0	0	110.2	M181 L186 Q189 Q190 K195 L196	M181-L192 HydrophobicContact CE-CD1 4.44Å; M181-L192 HydrophobicContact CE-CD2 3.38Å; M181-L192 HydrophobicContact SD-CD2 3.14Å; M181-L192 WeakPolarHBondContact SD-CD2 3.48Å; L186-L192 HydrophobicContact CD1-CD2 4.27Å; Q189-L192 HydrophobicContact CB-CB 3.75Å; Q189-L192 WeakPolarHBondContact O-CA 3.47Å; Q189-L192 VanDerWaalsContact O-CB 3.25Å; Q189-L192 WeakPolarHBondContact O-CB 3.42Å; Q189-L192 PolarHBondContact O-N 2.88Å; Q190-L192 PolarHBondContact O-N 2.77Å; L192-K195 PolarHBondContact O-N 3.24Å; L192-L196 HydrophobicContact CG-CD1 4.21Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 VanDerWaalsContact O-CG 3.25Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 3.42Å
193	V	74	Confident	69.3	Low	8 Å²	8	49.6 Å²	49.6	5%	0.048	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-45.6	173.6	-178.7	0	0	0	0	110.6	N142 I143 A146 Q189 Q190 Y191 K195 L196 L197	N142-V193 HydrophobicContact CB-CG2 4.42Å; I143-V193 HydrophobicContact CG1-CG1 4.27Å; A146-V193 HydrophobicContact CB-CG1 4.08Å; Q189-V193 PolarHBondContact O-N 2.83Å; Q190-V193 WeakPolarHBondContact O-CA 3.15Å; Q190-V193 WeakPolarHBondContact O-CB 3.44Å; Q190-V193 PolarHBondContact O-N 2.87Å; Y191-V193 VanDerWaalsContact C-N 3.33Å; V193-K195 VanDerWaalsContact C-N 3.33Å; V193-K195 PolarHBondContact O-N 2.83Å; V193-L196 PolarHBondContact O-N 2.77Å; V193-L197 HydrophobicContact CG1-CD1 4.13Å; V193-L197 HydrophobicContact CG1-CG 4.41Å; V193-L197 WeakPolarHBondContact O-CB 3.46Å; V193-L197 VanDerWaalsContact O-CG 3.28Å; V193-L197 WeakPolarHBondContact O-CG 3.31Å; V193-L197 PolarHBondContact O-N 2.89Å
194	Y	76.8	Confident	70.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-40.4	175.3	-63.3	-56.1	0	0	0	112	A146 L150 Q190 Y191 L197 R198 I242 G246 L248	A146-Y194 HydrophobicContact CB-CE1 4.02Å; L150-Y194 HydrophobicContact CD1-CE1 4.38Å; L150-Y194 HydrophobicContact CG-CE1 4.46Å; Q190-Y194 HydrophobicContact CB-CE2 4.07Å; Q190-Y194 WeakPolarHBondContact O-CD2 3.42Å; Q190-Y194 PolarHBondContact O-N 2.78Å; Y191-Y194 PolarHBondContact O-N 2.81Å; Y194-L197 PolarHBondContact O-N 2.97Å; Y194-R198 WeakPolarHBondContact O-CB 3.16Å; Y194-R198 PolarHBondContact O-N 2.97Å; Y194-I242 HydrophobicContact CD1-CD1 4.34Å; Y194-I242 WeakPolarHBondContact O-CD1 3.37Å; Y194-G246 WeakPolarHBondContact CB-O 3.2Å; Y194-L248 HydrophobicContact CE1-CD1 4.21Å; Y194-L248 HydrophobicContact CE2-CB 4.45Å
195	K	77.7	Confident	71	Confident	93 Å²	93	44.5 Å²	44.5	40%	0.404	20%	0.196	S	C	.	.	H	α-helix	trans	-62.4	-45.5	174.9	-173	176.7	-180	178.4	0	112	Y191 L192 V193 R198 E199	Y191-K195 VanDerWaalsContact O-CB 3.32Å; Y191-K195 WeakPolarHBondContact O-CB 3.34Å; Y191-K195 PolarHBondContact O-N 2.78Å; L192-K195 PolarHBondContact O-N 3.24Å; V193-K195 VanDerWaalsContact C-N 3.33Å; V193-K195 PolarHBondContact O-N 2.83Å; K195-R198 WeakPolarHBondContact O-CB 3.49Å; K195-R198 PolarHBondContact O-N 3.09Å; K195-E199 VanDerWaalsContact CE-OE1 3.26Å; K195-E199 WeakPolarHBondContact CE-OE1 3.41Å; K195-E199 WeakPolarHBondContact O-CG 3.33Å; K195-E199 PolarHBondContact O-N 3.47Å
196	L	76.2	Confident	71.3	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-45.4	175.8	-73.5	168.3	0	0	0	111.4	L174 V178 L192 V193 R198 E199 V200	L174-L196 HydrophobicContact CD2-CD2 3.99Å; V178-L196 HydrophobicContact CG2-CD1 3.76Å; V178-L196 HydrophobicContact CG2-CD2 4.24Å; L192-L196 HydrophobicContact CG-CD1 4.21Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 VanDerWaalsContact O-CG 3.25Å; L192-L196 WeakPolarHBondContact O-CG 3.5Å; L192-L196 PolarHBondContact O-N 3.42Å; V193-L196 PolarHBondContact O-N 2.77Å; L196-R198 VanDerWaalsContact C-N 3.27Å; L196-R198 PolarHBondContact O-N 3.43Å; L196-E199 PolarHBondContact O-N 2.94Å; L196-V200 WeakPolarHBondContact O-CB 3.19Å; L196-V200 VanDerWaalsContact O-CG2 3.26Å; L196-V200 WeakPolarHBondContact O-CG2 3.44Å; L196-V200 PolarHBondContact O-N 2.87Å
197	L	77.6	Confident	71.5	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-40.2	176.1	-76.4	172.9	0	0	0	112	I143 A146 L150 I164 V193 Y194 A201 I238 I242	I143-L197 HydrophobicContact CG2-CD2 4.3Å; A146-L197 HydrophobicContact CB-CD1 4.18Å; L150-L197 HydrophobicContact CD1-CD1 4.49Å; I164-L197 HydrophobicContact CD1-CD2 3.7Å; I164-L197 HydrophobicContact CG2-CD2 3.84Å; V193-L197 HydrophobicContact CG1-CD1 4.13Å; V193-L197 HydrophobicContact CG1-CG 4.41Å; V193-L197 WeakPolarHBondContact O-CB 3.46Å; V193-L197 VanDerWaalsContact O-CG 3.28Å; V193-L197 WeakPolarHBondContact O-CG 3.31Å; V193-L197 PolarHBondContact O-N 2.89Å; Y194-L197 PolarHBondContact O-N 2.97Å; L197-A201 VanDerWaalsContact O-CB 3.27Å; L197-A201 WeakPolarHBondContact O-CB 3.4Å; L197-A201 PolarHBondContact O-N 2.88Å; L197-I238 HydrophobicContact CB-CG2 4.04Å; L197-I238 HydrophobicContact CD2-CD1 4.4Å; L197-I242 HydrophobicContact CB-CD1 4.07Å
198	R	80.9	Confident	71.4	Confident	42 Å²	42	49.4 Å²	49.4	16%	0.158	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-51	174.7	-178.7	-174.4	178.7	94.8	16.6	111.6	Y194 K195 L196 V200 A201 E202 L239 I242 T243 P244	Y194-R198 WeakPolarHBondContact O-CB 3.16Å; Y194-R198 PolarHBondContact O-N 2.97Å; K195-R198 WeakPolarHBondContact O-CB 3.49Å; K195-R198 PolarHBondContact O-N 3.09Å; L196-R198 VanDerWaalsContact C-N 3.27Å; L196-R198 PolarHBondContact O-N 3.43Å; R198-V200 VanDerWaalsContact C-N 3.27Å; R198-V200 PolarHBondContact O-N 3.02Å; R198-A201 PolarHBondContact O-N 2.92Å; R198-E202 HydrophobicContact CG-CG 4.33Å; R198-E202 IonicContact CZ-OE1 2.78Å; R198-E202 IonicContact NE-OE1 3.85Å; R198-E202 PolarHBondContact NE-OE1 3.23Å; R198-E202 IonicContact NH2-OE1 3.99Å; R198-E202 PolarHBondContact NH2-OE1 2.85Å; R198-E202 WeakPolarHBondContact O-CG 3.33Å; R198-E202 PolarHBondContact O-N 3.02Å; R198-L239 HydrophobicContact CG-CD2 4.16Å; R198-I242 HydrophobicContact CB-CD1 4.37Å; R198-I242 HydrophobicContact CB-CG2 4.11Å; R198-I242 HydrophobicContact CG-CG2 4.5Å; R198-I242 PolarHBondContact NH1-O 3.32Å; R198-I242 VanDerWaalsContact NH1-O 3.09Å; R198-T243 PolarHBondContact NH1-O 3.13Å; R198-P244 VanDerWaalsContact CZ-CA 3.4Å; R198-P244 VanDerWaalsContact NH1-N 3.19Å
199	E	80.6	Confident	70.8	Confident	42 Å²	42	46.8 Å²	46.8	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-58.3	-40.7	179.5	-73.2	178.2	-168.8	0	0	111.2	L174 K177 K195 L196 Y203	L174-E199 HydrophobicContact CD2-CB 4.16Å; L174-E199 WeakPolarHBondContact CD2-OE2 3.02Å; K177-E199 IonicContact NZ-OE1 3.68Å; K177-E199 PolarHBondContact NZ-OE1 3.3Å; K177-E199 IonicContact NZ-OE2 3.12Å; K177-E199 PolarHBondContact NZ-OE2 2.77Å; K195-E199 VanDerWaalsContact CE-OE1 3.26Å; K195-E199 WeakPolarHBondContact CE-OE1 3.41Å; K195-E199 WeakPolarHBondContact O-CG 3.33Å; K195-E199 PolarHBondContact O-N 3.47Å; L196-E199 PolarHBondContact O-N 2.94Å; E199-Y203 VanDerWaalsContact O-CB 3.27Å; E199-Y203 WeakPolarHBondContact O-CB 3.45Å; E199-Y203 PolarHBondContact O-N 3.27Å
200	V	78.7	Confident	70	Confident	1 Å²	1	52 Å²	52	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-40.4	174.6	172.9	0	0	0	0	111.9	I167 I168 L174 L196 R198 S204 F235	I167-V200 HydrophobicContact CB-CG1 4.37Å; I167-V200 HydrophobicContact CD1-CG1 4.41Å; I167-V200 HydrophobicContact CG2-CG1 3.78Å; I168-V200 HydrophobicContact CG1-CG2 3.82Å; L174-V200 HydrophobicContact CD1-CG2 3.62Å; L196-V200 WeakPolarHBondContact O-CB 3.19Å; L196-V200 VanDerWaalsContact O-CG2 3.26Å; L196-V200 WeakPolarHBondContact O-CG2 3.44Å; L196-V200 PolarHBondContact O-N 2.87Å; R198-V200 VanDerWaalsContact C-N 3.27Å; R198-V200 PolarHBondContact O-N 3.02Å; V200-S204 WeakPolarHBondContact O-CB 3.36Å; V200-S204 PolarHBondContact O-N 2.75Å; V200-F235 HydrophobicContact CG1-CE1 3.73Å; V200-F235 HydrophobicContact CG1-CZ 3.76Å
201	A	79.2	Confident	69.1	Low	0 Å²	0	57 Å²	57	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-40.2	178.9	0	0	0	0	0	112.7	L197 R198 Q205 F235 I238 L239	L197-A201 VanDerWaalsContact O-CB 3.27Å; L197-A201 WeakPolarHBondContact O-CB 3.4Å; L197-A201 PolarHBondContact O-N 2.88Å; R198-A201 PolarHBondContact O-N 2.92Å; A201-Q205 PolarHBondContact O-N 3.24Å; A201-F235 HydrophobicContact CB-CB 3.87Å; A201-F235 HydrophobicContact CB-CD1 3.66Å; A201-F235 HydrophobicContact CB-CG 4.03Å; A201-I238 HydrophobicContact CB-CG2 4.23Å; A201-L239 HydrophobicContact CB-CD1 4.1Å; A201-L239 HydrophobicContact CB-CD2 4.07Å; A201-L239 HydrophobicContact CB-CG 3.77Å
202	E	81.4	Confident	67.9	Low	70 Å²	70	63.3 Å²	63.3	33%	0.327	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-46.4	174.3	-70.1	175.1	166	0	0	110.3	R198 S204 Q205 D206 L239	R198-E202 HydrophobicContact CG-CG 4.33Å; R198-E202 IonicContact CZ-OE1 2.78Å; R198-E202 IonicContact NE-OE1 3.85Å; R198-E202 PolarHBondContact NE-OE1 3.23Å; R198-E202 IonicContact NH2-OE1 3.99Å; R198-E202 PolarHBondContact NH2-OE1 2.85Å; R198-E202 WeakPolarHBondContact O-CG 3.33Å; R198-E202 PolarHBondContact O-N 3.02Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.39Å; E202-Q205 WeakPolarHBondContact O-CB 3.14Å; E202-Q205 PolarHBondContact O-N 2.96Å; E202-D206 PolarHBondContact O-N 3.22Å; E202-L239 HydrophobicContact CG-CD2 3.78Å
203	Y	76.1	Confident	66.3	Low	119 Å²	119	70 Å²	70	47%	0.467	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-42.8	176.4	-179.5	-98.8	0	0	0	112.9	E199 Q205 D206 T207	E199-Y203 VanDerWaalsContact O-CB 3.27Å; E199-Y203 WeakPolarHBondContact O-CB 3.45Å; E199-Y203 PolarHBondContact O-N 3.27Å; Y203-Q205 PolarHBondContact O-N 2.97Å; Y203-D206 PolarHBondContact O-N 3.19Å; Y203-T207 PolarHBondContact O-N 2.89Å; Y203-T207 VanDerWaalsContact O-N 3.16Å; Y203-T207 PolarHBondContact O-OG1 2.8Å
204	S	70.3	Confident	64.4	Low	21 Å²	21	78.2 Å²	78.2	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-68.4	-19.6	177.9	-172	0	0	0	0	113.6	V200 E202 Q232 F235	V200-S204 WeakPolarHBondContact O-CB 3.36Å; V200-S204 PolarHBondContact O-N 2.75Å; E202-S204 VanDerWaalsContact C-N 3.33Å; E202-S204 PolarHBondContact O-N 3.39Å; S204-Q232 PolarHBondContact O-NE2 2.92Å; S204-Q232 PolarHBondContact OG-NE2 3.12Å; S204-Q232 VanDerWaalsContact OG-NE2 3.09Å; S204-F235 VanDerWaalsContact CB-CD2 3.48Å; S204-F235 VanDerWaalsContact CB-CE2 3.48Å; S204-F235 VanDerWaalsContact OG-CD2 3.28Å; S204-F235 WeakPolarHBondContact OG-CD2 3.16Å; S204-F235 VanDerWaalsContact OG-CE2 3.27Å; S204-F235 WeakPolarHBondContact OG-CE2 3.37Å
205	Q	69.6	Low	62.2	Low	86 Å²	86	83.7 Å²	83.7	40%	0.402	40%	0.402	S	S	.	.	H	α-helix	trans	-81.6	-47.2	171.3	-74.5	-172.8	-23.7	0	0	111.4	A201 E202 Y203 T207 K208 L239	A201-Q205 PolarHBondContact O-N 3.24Å; E202-Q205 WeakPolarHBondContact O-CB 3.14Å; E202-Q205 PolarHBondContact O-N 2.96Å; Y203-Q205 PolarHBondContact O-N 2.97Å; Q205-T207 VanDerWaalsContact C-N 3.27Å; Q205-T207 PolarHBondContact O-N 3.48Å; Q205-K208 PolarHBondContact O-N 2.88Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; Q205-L239 VanDerWaalsContact CD-CD1 3.43Å; Q205-L239 HydrophobicContact CG-CD1 4.37Å; Q205-L239 VanDerWaalsContact OE1-CD1 3.29Å
206	D	63.8	Low	60	Low	103 Å²	103	86.4 Å²	86.4	55%	0.551	42%	0.421	S	S	*	.	H	α-helix	trans	-61.9	-33.4	-178.3	-74.7	-15.5	0	0	0	112.8	E202 Y203 K208 D209 E210	E202-D206 PolarHBondContact O-N 3.22Å; Y203-D206 PolarHBondContact O-N 3.19Å; D206-K208 PolarHBondContact O-N 2.92Å; D206-K208 VanDerWaalsContact O-N 3.14Å; D206-D209 PolarHBondContact O-N 3.01Å; D206-E210 PolarHBondContact O-N 3.35Å
207	T	59	Low	58.1	Low	44 Å²	44	95.3 Å²	95.3	27%	0.27	46%	0.462	S	S	.	.	H	α-helix	trans	-62.5	-24.2	-179.9	-45	0	0	0	0	112.4	Y203 Q205 E211	Y203-T207 PolarHBondContact O-N 2.89Å; Y203-T207 VanDerWaalsContact O-N 3.16Å; Y203-T207 PolarHBondContact O-OG1 2.8Å; Q205-T207 VanDerWaalsContact C-N 3.27Å; Q205-T207 PolarHBondContact O-N 3.48Å; T207-E211 WeakPolarHBondContact O-CB 3.31Å; T207-E211 PolarHBondContact O-N 2.79Å; T207-E211 VanDerWaalsContact O-N 3.08Å
208	K	50.1	Low	55.8	Low	86 Å²	86	105.1 Å²	105.1	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-76.2	-29.1	175.5	-74.6	-169.2	169.7	179.8	0	113.7	Q205 D206 E210 Q212	Q205-K208 PolarHBondContact O-N 2.88Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; D206-K208 PolarHBondContact O-N 2.92Å; D206-K208 VanDerWaalsContact O-N 3.14Å; K208-E210 VanDerWaalsContact C-N 3.33Å; K208-Q212 PolarHBondContact O-N 3.46Å
209	D	46.2	Very low	53.5	Low	112 Å²	112	107.4 Å²	107.4	60%	0.599	53%	0.533	S	S	*	.	H	α-helix	trans	-75.5	-28.9	178.8	-69	-20.2	0	0	0	110.5	D206	D206-D209 PolarHBondContact O-N 3.01Å
210	E	46.6	Very low	51.2	Low	160 Å²	160	114.4 Å²	114.4	75%	0.748	56%	0.563	S	S	*	*	H	α-helix	trans	-82.7	-37.8	174	-68.4	-169.2	155.8	0	0	113.5	D206 K208 Q212 Q213	D206-E210 PolarHBondContact O-N 3.35Å; K208-E210 VanDerWaalsContact C-N 3.33Å; E210-Q212 VanDerWaalsContact C-N 3.28Å; E210-Q212 PolarHBondContact O-N 3.06Å; E210-Q213 PolarHBondContact O-N 3Å
211	E	45.6	Very low	49.1	Very low	147 Å²	147	121.8 Å²	121.8	69%	0.687	60%	0.602	S	S	*	*	H	α-helix	trans	-70.8	-18.8	178.6	-82.5	-173.6	154.8	0	0	113.9	T207 Q213	T207-E211 WeakPolarHBondContact O-CB 3.31Å; T207-E211 PolarHBondContact O-N 2.79Å; T207-E211 VanDerWaalsContact O-N 3.08Å; E211-Q213 PolarHBondContact O-N 2.88Å
212	Q	44	Very low	47	Very low	174 Å²	174	130 Å²	130	81%	0.813	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-6.1	172.6	-79.3	-173.9	-7.7	0	0	113.9	K208 E210	K208-Q212 PolarHBondContact O-N 3.46Å; E210-Q212 VanDerWaalsContact C-N 3.28Å; E210-Q212 PolarHBondContact O-N 3.06Å
213	Q	38.7	Very low	44.9	Very low	156 Å²	156	132.5 Å²	132.5	73%	0.729	65%	0.654	S	S	*	*	S	Bend	trans	-108.2	-8.5	-173.8	-151.9	138.1	7.4	0	0	115.1	E210 E211	E210-Q213 PolarHBondContact O-N 3Å; E211-Q213 PolarHBondContact O-N 2.88Å
214	F	33	Very low	42.8	Very low	180 Å²	180	134.8 Å²	134.8	79%	0.789	67%	0.669	S	S	*	*			trans	-153	106.1	174.8	-90.6	-87.9	0	0	0	112.7	D216	F214-D216 PolarHBondContact O-N 3.08Å
215	P	31.5	Very low	41.7	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	68%	0.684	S	S	*	*			trans	-94.6	88.4	171.5	34.2	-24.1	0	0	0	108.8
216	D	30.2	Very low	40.4	Very low	151 Å²	151	138.5 Å²	138.5	81%	0.807	70%	0.703	S	S	*	*			trans	173.7	91.6	152.6	-93.7	-27.8	0	0	0	110.7	F214	F214-D216 PolarHBondContact O-N 3.08Å
217	H	37.2	Very low	40.1	Very low	189 Å²	189	137.4 Å²	137.4	88%	0.875	70%	0.697	S	S	*	*			trans	-170.2	105.2	138.3	-109.2	-67.1	0	0	0	111.4	A219	H217-A219 PolarHBondContact O-N 3.1Å
218	K	29.2	Very low	40.3	Very low	208 Å²	208	139.3 Å²	139.3	90%	0.904	71%	0.706	S	S	*	*			trans	-63.1	120.8	163.6	-76.5	178.4	175.4	175.8	0	110
219	A	33.5	Very low	41.1	Very low	89 Å²	89	138.3 Å²	138.3	74%	0.736	71%	0.71	S	S	*	*			trans	-155.6	109.5	157.7	0	0	0	0	0	113.8	H217	H217-A219 PolarHBondContact O-N 3.1Å
220	K	30.8	Very low	42.1	Very low	190 Å²	190	136.6 Å²	136.6	83%	0.826	70%	0.698	S	S	*	*			trans	50.8	92.3	135.6	-66.5	177.6	176.1	176.3	0	118.9
221	N	35.8	Very low	43.2	Very low	156 Å²	156	130 Å²	130	83%	0.834	67%	0.668	S	S	*	*				169.9	116.6	102.2	-85.4	-20.6	0	0	0	108.8	I223	N221-I223 PolarHBondContact O-N 3.15Å
222	H	34.2	Very low	44.5	Very low	173 Å²	173	124.5 Å²	124.5	80%	0.801	64%	0.642	S	S	*	*			trans	-60.9	116.5	-178.9	-83.5	-87.9	0	0	0	112.3
223	I	37.1	Very low	46	Very low	121 Å²	121	122.9 Å²	122.9	62%	0.621	63%	0.632	S	S	*	*			trans	-125.1	106	139.8	-60.3	177	0	0	0	103.6	A166 N221 P225	A166-I223 HydrophobicContact CB-CD1 4.15Å; N221-I223 PolarHBondContact O-N 3.15Å; I223-P225 WeakPolarHBondContact O-CD 3.13Å
224	E	32.4	Very low	47.6	Very low	168 Å²	168	116.2 Å²	116.2	79%	0.785	60%	0.602	S	S	*	*			trans	-70.3	112.5	173.4	-80.1	-179.9	152.3	0	0	109	S226	E224-S226 PolarHBondContact O-N 2.9Å
225	P	46.9	Very low	49.9	Very low	69 Å²	69	107.6 Å²	107.6	45%	0.448	57%	0.565	S	S	.	*			trans	-85.2	107.4	159.9	16.8	4.2	0	0	0	106	I223 D227	I223-P225 WeakPolarHBondContact O-CD 3.13Å; P225-D227 PolarHBondContact O-N 3.1Å
226	S	42.3	Very low	52.1	Low	115 Å²	115	103.6 Å²	103.6	80%	0.804	54%	0.544	S	S	*	.	S	Bend	trans	-49.7	109.5	161.4	158.4	0	0	0	0	108.8	E224	E224-S226 PolarHBondContact O-N 2.9Å
227	D	57.8	Low	54.4	Low	80 Å²	80	99.8 Å²	99.8	43%	0.428	52%	0.523	S	S	.	.			trans	74.4	74.4	172.7	-142.9	-1.2	0	0	0	116.1	P225 S229 Q230 L231	P225-D227 PolarHBondContact O-N 3.1Å; D227-S229 PolarHBondContact O-N 3Å; D227-Q230 HydrophobicContact CB-CB 4.22Å; D227-Q230 HydrophobicContact CB-CG 3.93Å; D227-Q230 WeakPolarHBondContact O-CA 3.3Å; D227-Q230 WeakPolarHBondContact O-CB 3.23Å; D227-Q230 PolarHBondContact O-N 2.82Å; D227-Q230 WeakPolarHBondContact OD2-CG 3.12Å; D227-Q230 PolarHBondContact OD2-NE2 2.99Å; D227-L231 PolarHBondContact O-N 3.45Å
228	D	63.4	Low	56.2	Low	84 Å²	84	90.8 Å²	90.8	45%	0.449	48%	0.482	S	S	.	.	H	α-helix	trans	-50.1	-29.2	173.6	-164.9	51.2	0	0	0	113	Q230 L231 Q232	D228-Q230 PolarHBondContact O-N 2.85Å; D228-L231 PolarHBondContact O-N 3.21Å; D228-Q232 WeakPolarHBondContact O-CB 3.3Å; D228-Q232 WeakPolarHBondContact O-CG 3.06Å; D228-Q232 PolarHBondContact O-N 3.02Å
229	S	66.2	Low	58.7	Low	66 Å²	66	82.5 Å²	82.5	46%	0.462	45%	0.447	S	S	.	.	H	α-helix	trans	-62.8	-38.5	171.7	-171.9	0	0	0	0	113.4	D227 K233	D227-S229 PolarHBondContact O-N 3Å; S229-K233 WeakPolarHBondContact O-CG 3.15Å; S229-K233 PolarHBondContact O-N 3.35Å; S229-K233 VanDerWaalsContact O-N 3.16Å
230	Q	67.3	Low	60.8	Low	76 Å²	76	80.7 Å²	80.7	36%	0.355	43%	0.429	S	S	.	.	H	α-helix	trans	-71.5	-41.1	177.2	-69.3	-176.6	26.9	0	0	111.2	D227 D228 Q232 K233 V234	D227-Q230 HydrophobicContact CB-CB 4.22Å; D227-Q230 HydrophobicContact CB-CG 3.93Å; D227-Q230 WeakPolarHBondContact O-CA 3.3Å; D227-Q230 WeakPolarHBondContact O-CB 3.23Å; D227-Q230 PolarHBondContact O-N 2.82Å; D227-Q230 WeakPolarHBondContact OD2-CG 3.12Å; D227-Q230 PolarHBondContact OD2-NE2 2.99Å; D228-Q230 PolarHBondContact O-N 2.85Å; Q230-Q232 VanDerWaalsContact C-N 3.28Å; Q230-Q232 PolarHBondContact O-N 3.26Å; Q230-K233 PolarHBondContact O-N 3.38Å; Q230-V234 WeakPolarHBondContact O-CG2 3.42Å; Q230-V234 PolarHBondContact O-N 3Å
231	L	69.7	Low	62.9	Low	22 Å²	22	73.1 Å²	73.1	12%	0.115	40%	0.396	C	S	.	.	H	α-helix	trans	-60.8	-41.7	177.9	-160	80.7	0	0	0	111.1	L160 I167 D227 D228 V234 F235	L160-L231 HydrophobicContact CD1-CD1 3.84Å; I167-L231 HydrophobicContact CD1-CD2 4.32Å; D227-L231 PolarHBondContact O-N 3.45Å; D228-L231 PolarHBondContact O-N 3.21Å; L231-V234 WeakPolarHBondContact O-CB 3.2Å; L231-V234 PolarHBondContact O-N 3.06Å; L231-F235 HydrophobicContact CD2-CD2 4.44Å; L231-F235 HydrophobicContact CD2-CE2 3.55Å; L231-F235 HydrophobicContact CD2-CZ 4.11Å; L231-F235 HydrophobicContact CG-CD2 4.17Å; L231-F235 HydrophobicContact CG-CE2 3.59Å; L231-F235 HydrophobicContact CG-CZ 4.08Å; L231-F235 WeakPolarHBondContact O-CD2 3.47Å; L231-F235 PolarHBondContact O-N 3.11Å
232	Q	73.1	Confident	64.8	Low	31 Å²	31	65.8 Å²	65.8	15%	0.145	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-41.5	176.8	-71.8	-75.9	-18.6	0	0	112.8	S204 D228 Q230 V234 F235 G236	S204-Q232 PolarHBondContact O-NE2 2.92Å; S204-Q232 PolarHBondContact OG-NE2 3.12Å; S204-Q232 VanDerWaalsContact OG-NE2 3.09Å; D228-Q232 WeakPolarHBondContact O-CB 3.3Å; D228-Q232 WeakPolarHBondContact O-CG 3.06Å; D228-Q232 PolarHBondContact O-N 3.02Å; Q230-Q232 VanDerWaalsContact C-N 3.28Å; Q230-Q232 PolarHBondContact O-N 3.26Å; Q232-V234 VanDerWaalsContact C-N 3.28Å; Q232-V234 PolarHBondContact O-N 3.3Å; Q232-F235 PolarHBondContact O-N 3.46Å; Q232-G236 PolarHBondContact O-N 2.9Å
233	K	75.1	Confident	66.8	Low	139 Å²	139	57.7 Å²	57.7	60%	0.604	32%	0.32	S	S	*	.	H	α-helix	trans	-60	-41.8	171.8	-74.2	173	-175.9	173.1	0	111.2	S229 Q230 G236 I237	S229-K233 WeakPolarHBondContact O-CG 3.15Å; S229-K233 PolarHBondContact O-N 3.35Å; S229-K233 VanDerWaalsContact O-N 3.16Å; Q230-K233 PolarHBondContact O-N 3.38Å; K233-G236 PolarHBondContact O-N 3.38Å; K233-I237 VanDerWaalsContact O-CG1 3.26Å; K233-I237 WeakPolarHBondContact O-CG1 3.27Å; K233-I237 PolarHBondContact O-N 3.31Å
234	V	72.9	Confident	68.3	Low	16 Å²	16	55.8 Å²	55.8	10%	0.097	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-47.2	176.8	168.3	0	0	0	0	111.1	L160 Q230 L231 Q232 G236 I237 I238	L160-V234 HydrophobicContact CD1-CG1 4.02Å; L160-V234 HydrophobicContact CD2-CB 4.48Å; L160-V234 HydrophobicContact CD2-CG1 3.51Å; L160-V234 HydrophobicContact CD2-CG2 4.19Å; L160-V234 HydrophobicContact CG-CG1 4.32Å; Q230-V234 WeakPolarHBondContact O-CG2 3.42Å; Q230-V234 PolarHBondContact O-N 3Å; L231-V234 WeakPolarHBondContact O-CB 3.2Å; L231-V234 PolarHBondContact O-N 3.06Å; Q232-V234 VanDerWaalsContact C-N 3.28Å; Q232-V234 PolarHBondContact O-N 3.3Å; V234-G236 PolarHBondContact O-N 3.37Å; V234-I237 PolarHBondContact O-N 2.91Å; V234-I237 VanDerWaalsContact O-N 3.12Å; V234-I238 HydrophobicContact CG1-CD1 3.79Å; V234-I238 HydrophobicContact CG1-CG1 4.33Å; V234-I238 WeakPolarHBondContact O-CG1 3.42Å; V234-I238 PolarHBondContact O-N 2.93Å
235	F	81.3	Confident	70.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-39.6	177.7	-71.2	-44.2	0	0	0	112.8	I167 V200 A201 S204 L231 Q232 I237 I238 L239	I167-F235 HydrophobicContact CD1-CZ 3.98Å; V200-F235 HydrophobicContact CG1-CE1 3.73Å; V200-F235 HydrophobicContact CG1-CZ 3.76Å; A201-F235 HydrophobicContact CB-CB 3.87Å; A201-F235 HydrophobicContact CB-CD1 3.66Å; A201-F235 HydrophobicContact CB-CG 4.03Å; S204-F235 VanDerWaalsContact CB-CD2 3.48Å; S204-F235 VanDerWaalsContact CB-CE2 3.48Å; S204-F235 VanDerWaalsContact OG-CD2 3.28Å; S204-F235 WeakPolarHBondContact OG-CD2 3.16Å; S204-F235 VanDerWaalsContact OG-CE2 3.27Å; S204-F235 WeakPolarHBondContact OG-CE2 3.37Å; L231-F235 HydrophobicContact CD2-CD2 4.44Å; L231-F235 HydrophobicContact CD2-CE2 3.55Å; L231-F235 HydrophobicContact CD2-CZ 4.11Å; L231-F235 HydrophobicContact CG-CD2 4.17Å; L231-F235 HydrophobicContact CG-CE2 3.59Å; L231-F235 HydrophobicContact CG-CZ 4.08Å; L231-F235 WeakPolarHBondContact O-CD2 3.47Å; L231-F235 PolarHBondContact O-N 3.11Å; Q232-F235 PolarHBondContact O-N 3.46Å; F235-I237 VanDerWaalsContact C-N 3.3Å; F235-I237 PolarHBondContact O-N 2.89Å; F235-I238 HydrophobicContact CD1-CD1 3.96Å; F235-I238 HydrophobicContact CE1-CD1 4.42Å; F235-I238 PolarHBondContact O-N 3.09Å; F235-L239 WeakPolarHBondContact O-CG 3.38Å; F235-L239 PolarHBondContact O-N 2.8Å
236	G	78.6	Confident	71.1	Confident	32 Å²	32	48 Å²	48	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-39.9	171.8	0	0	0	0	0	112.7	Q232 K233 V234 S240	Q232-G236 PolarHBondContact O-N 2.9Å; K233-G236 PolarHBondContact O-N 3.38Å; V234-G236 PolarHBondContact O-N 3.37Å; G236-S240 PolarHBondContact O-N 2.81Å
237	I	76.9	Confident	72.7	Confident	72 Å²	72	42.6 Å²	42.6	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-69.7	-45.5	174.8	-57.9	159	0	0	0	110.4	L152 K233 V234 F235 L239 S240 Q241	L152-I237 HydrophobicContact CD2-CB 3.7Å; L152-I237 HydrophobicContact CD2-CD1 4Å; L152-I237 HydrophobicContact CD2-CG1 4.47Å; L152-I237 HydrophobicContact CD2-CG2 3.35Å; L152-I237 HydrophobicContact CG-CG2 4.37Å; K233-I237 VanDerWaalsContact O-CG1 3.26Å; K233-I237 WeakPolarHBondContact O-CG1 3.27Å; K233-I237 PolarHBondContact O-N 3.31Å; V234-I237 PolarHBondContact O-N 2.91Å; V234-I237 VanDerWaalsContact O-N 3.12Å; F235-I237 VanDerWaalsContact C-N 3.3Å; F235-I237 PolarHBondContact O-N 2.89Å; I237-L239 VanDerWaalsContact C-N 3.29Å; I237-L239 PolarHBondContact O-N 2.58Å; I237-S240 WeakPolarHBondContact O-CA 3.31Å; I237-S240 WeakPolarHBondContact O-CB 3.48Å; I237-S240 PolarHBondContact O-N 3.04Å; I237-S240 PolarHBondContact O-OG 3.32Å; I237-Q241 HydrophobicContact CG2-CG 4.18Å; I237-Q241 VanDerWaalsContact O-CG 3.3Å; I237-Q241 WeakPolarHBondContact O-CG 3.45Å; I237-Q241 PolarHBondContact O-N 3.22Å
238	I	76.2	Confident	73.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-52	-49	176.5	-72	169.1	0	0	0	110.6	L147 L152 I164 L197 A201 V234 F235 S240 Q241 I242	L147-I238 HydrophobicContact CD2-CD1 4.22Å; L152-I238 HydrophobicContact CD1-CD1 4.49Å; L152-I238 HydrophobicContact CD1-CG1 3.62Å; I164-I238 HydrophobicContact CD1-CD1 4.36Å; L197-I238 HydrophobicContact CB-CG2 4.04Å; L197-I238 HydrophobicContact CD2-CD1 4.4Å; A201-I238 HydrophobicContact CB-CG2 4.23Å; V234-I238 HydrophobicContact CG1-CD1 3.79Å; V234-I238 HydrophobicContact CG1-CG1 4.33Å; V234-I238 WeakPolarHBondContact O-CG1 3.42Å; V234-I238 PolarHBondContact O-N 2.93Å; F235-I238 HydrophobicContact CD1-CD1 3.96Å; F235-I238 HydrophobicContact CE1-CD1 4.42Å; F235-I238 PolarHBondContact O-N 3.09Å; I238-S240 VanDerWaalsContact C-N 3.28Å; I238-S240 PolarHBondContact O-N 3.32Å; I238-Q241 PolarHBondContact O-N 3.37Å; I238-I242 HydrophobicContact CG2-CD1 3.6Å; I238-I242 HydrophobicContact CG2-CG1 4.49Å; I238-I242 WeakPolarHBondContact O-CG1 3.48Å; I238-I242 PolarHBondContact O-N 3.39Å
239	L	80	Confident	74.4	Confident	33 Å²	33	37 Å²	37	17%	0.173	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-36.2	177.2	-72.8	165.7	0	0	0	112.7	R198 A201 E202 Q205 F235 I237 Q241	R198-L239 HydrophobicContact CG-CD2 4.16Å; A201-L239 HydrophobicContact CB-CD1 4.1Å; A201-L239 HydrophobicContact CB-CD2 4.07Å; A201-L239 HydrophobicContact CB-CG 3.77Å; E202-L239 HydrophobicContact CG-CD2 3.78Å; Q205-L239 VanDerWaalsContact CD-CD1 3.43Å; Q205-L239 HydrophobicContact CG-CD1 4.37Å; Q205-L239 VanDerWaalsContact OE1-CD1 3.29Å; F235-L239 WeakPolarHBondContact O-CG 3.38Å; F235-L239 PolarHBondContact O-N 2.8Å; I237-L239 VanDerWaalsContact C-N 3.29Å; I237-L239 PolarHBondContact O-N 2.58Å; L239-Q241 PolarHBondContact O-N 2.85Å
240	S	78.1	Confident	75	Confident	51 Å²	51	36.6 Å²	36.6	36%	0.357	19%	0.191	S	C	.	.	H	α-helix	trans	-70	-15.3	176.1	81.3	0	0	0	0	114.6	G236 I237 I238	G236-S240 PolarHBondContact O-N 2.81Å; I237-S240 WeakPolarHBondContact O-CA 3.31Å; I237-S240 WeakPolarHBondContact O-CB 3.48Å; I237-S240 PolarHBondContact O-N 3.04Å; I237-S240 PolarHBondContact O-OG 3.32Å; I238-S240 VanDerWaalsContact C-N 3.28Å; I238-S240 PolarHBondContact O-N 3.32Å
241	Q	75.2	Confident	75.6	Confident	32 Å²	32	33.1 Å²	33.1	15%	0.15	18%	0.175	C	C	.	.	H	α-helix	trans	-107	-5.7	-178	-54.7	-65.7	-55.7	0	0	113.2	L150 I237 I238 L239 Q249	L150-Q241 HydrophobicContact CD2-CB 3.47Å; L150-Q241 VanDerWaalsContact CD2-CB 3.47Å; L150-Q241 HydrophobicContact CD2-CG 3.99Å; I237-Q241 HydrophobicContact CG2-CG 4.18Å; I237-Q241 VanDerWaalsContact O-CG 3.3Å; I237-Q241 WeakPolarHBondContact O-CG 3.45Å; I237-Q241 PolarHBondContact O-N 3.22Å; I238-Q241 PolarHBondContact O-N 3.37Å; L239-Q241 PolarHBondContact O-N 2.85Å; Q241-Q249 WeakPolarHBondContact O-CB 3.37Å; Q241-Q249 PolarHBondContact O-N 3.44Å
242	I	76.9	Confident	75.9	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-121.5	128.4	-175.7	-58	176.8	0	0	0	110.1	Y194 L197 R198 I238 S247	Y194-I242 HydrophobicContact CD1-CD1 4.34Å; Y194-I242 WeakPolarHBondContact O-CD1 3.37Å; L197-I242 HydrophobicContact CB-CD1 4.07Å; R198-I242 HydrophobicContact CB-CD1 4.37Å; R198-I242 HydrophobicContact CB-CG2 4.11Å; R198-I242 HydrophobicContact CG-CG2 4.5Å; R198-I242 PolarHBondContact NH1-O 3.32Å; R198-I242 VanDerWaalsContact NH1-O 3.09Å; I238-I242 HydrophobicContact CG2-CD1 3.6Å; I238-I242 HydrophobicContact CG2-CG1 4.49Å; I238-I242 WeakPolarHBondContact O-CG1 3.48Å; I238-I242 PolarHBondContact O-N 3.39Å; I242-S247 CarbonylContact C-O 3.58Å; I242-S247 WeakPolarHBondContact CA-O 3.23Å; I242-S247 WeakPolarHBondContact CG2-O 3.33Å
243	T	74.8	Confident	76.4	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.018	18%	0.175	C	C	.	.			trans	-65.4	158.5	177.8	73.3	0	0	0	0	111.4	R198 F245 G246 S247 Q249	R198-T243 PolarHBondContact NH1-O 3.13Å; T243-F245 PolarHBondContact O-N 3.37Å; T243-F245 PolarHBondContact OG1-N 3.26Å; T243-G246 PolarHBondContact O-N 3.16Å; T243-S247 PolarHBondContact N-O 3.35Å; T243-S247 WeakPolarHBondContact OG1-CB 3.47Å; T243-S247 PolarHBondContact OG1-N 2.92Å; T243-S247 PolarHBondContact OG1-O 2.8Å; T243-Q249 HydrophobicContact CG2-CB 3.72Å; T243-Q249 HydrophobicContact CG2-CG 4.13Å
244	P	68.5	Low	76.8	Confident	82 Å²	82	32.3 Å²	32.3	53%	0.532	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-23.7	175.6	-31.8	38.8	0	0	0	115.6	R198	R198-P244 VanDerWaalsContact CZ-CA 3.4Å; R198-P244 VanDerWaalsContact NH1-N 3.19Å
245	F	72.3	Confident	77.4	Confident	72 Å²	72	35.2 Å²	35.2	32%	0.316	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	7.3	-175.9	-50.5	-61.9	0	0	0	113.9	K115 T243	K115-F245 HydrophobicContact CB-CD1 3.64Å; K115-F245 HydrophobicContact CB-CD2 4.31Å; K115-F245 HydrophobicContact CB-CE1 3.79Å; K115-F245 HydrophobicContact CB-CE2 4.44Å; K115-F245 HydrophobicContact CB-CG 3.91Å; K115-F245 HydrophobicContact CB-CZ 4.2Å; T243-F245 PolarHBondContact O-N 3.37Å; T243-F245 PolarHBondContact OG1-N 3.26Å
246	G	66.8	Low	77.6	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	79.9	29.7	179.1	0	0	0	0	0	113.8	Y194 T243	Y194-G246 WeakPolarHBondContact CB-O 3.2Å; T243-G246 PolarHBondContact O-N 3.16Å
247	S	75.8	Confident	77.9	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.007	25%	0.245	C	C	.	.	S	Bend	trans	-109	155.7	175.3	165.8	0	0	0	0	110.3	F119 I242 T243 Q249	F119-S247 WeakPolarHBondContact CA-OG 3.29Å; F119-S247 WeakPolarHBondContact CB-OG 3.14Å; F119-S247 PolarHBondContact N-OG 3.05Å; F119-S247 PolarHBondContact O-OG 3.31Å; I242-S247 CarbonylContact C-O 3.58Å; I242-S247 WeakPolarHBondContact CA-O 3.23Å; I242-S247 WeakPolarHBondContact CG2-O 3.33Å; T243-S247 PolarHBondContact N-O 3.35Å; T243-S247 WeakPolarHBondContact OG1-CB 3.47Å; T243-S247 PolarHBondContact OG1-N 2.92Å; T243-S247 PolarHBondContact OG1-O 2.8Å; S247-Q249 PolarHBondContact O-N 2.78Å
248	L	75.4	Confident	78.2	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-61.3	128.9	171.6	-170.4	64.8	0	0	0	109.7	I107 F119 A121 L150 Y194 R250 I251	I107-L248 WeakPolarHBondContact CD1-O 3.46Å; F119-L248 WeakPolarHBondContact O-CB 3.38Å; F119-L248 PolarHBondContact O-N 3.11Å; F119-L248 VanDerWaalsContact O-N 3.09Å; A121-L248 HydrophobicContact CB-CD2 3.73Å; L150-L248 HydrophobicContact CD2-CD1 3.31Å; L150-L248 HydrophobicContact CG-CD1 4.42Å; Y194-L248 HydrophobicContact CE1-CD1 4.21Å; Y194-L248 HydrophobicContact CE2-CB 4.45Å; L248-R250 WeakPolarHBondContact CD1-O 3.46Å; L248-R250 WeakPolarHBondContact CG-O 3.31Å; L248-I251 HydrophobicContact CD2-CB 4.44Å; L248-I251 HydrophobicContact CD2-CG1 3.55Å; L248-I251 HydrophobicContact CG-CG1 4.21Å
249	Q	82	Confident	78.7	Confident	46 Å²	46	52.5 Å²	52.5	22%	0.215	27%	0.273	C	S	.	.	S	Bend	trans	-94.2	-33.8	176.1	-173.1	177.1	0.2	0	0	111.6	V106 I107 Q241 T243 S247	V106-Q249 CarbonylContact C-O 3.5Å; V106-Q249 WeakPolarHBondContact CA-O 3.4Å; V106-Q249 HydrophobicContact CG1-CG 4.46Å; I107-Q249 PolarHBondContact N-O 2.99Å; I107-Q249 WeakPolarHBondContact O-CG 3.42Å; Q241-Q249 WeakPolarHBondContact O-CB 3.37Å; Q241-Q249 PolarHBondContact O-N 3.44Å; T243-Q249 HydrophobicContact CG2-CB 3.72Å; T243-Q249 HydrophobicContact CG2-CG 4.13Å; S247-Q249 PolarHBondContact O-N 2.78Å
250	R	79.2	Confident	79.1	Confident	57 Å²	57	51.4 Å²	51.4	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.8	-174.9	-72.3	-179.2	-176.3	-97.9	6.2	109.4	D99 S102 S104 L105 V106 L248	D99-R250 IonicContact OD2-CZ 3.95Å; D99-R250 IonicContact OD2-NH1 3.73Å; D99-R250 PolarHBondContact OD2-NH1 3.07Å; S102-R250 PolarHBondContact OG-NH1 3.1Å; S104-R250 PolarHBondContact OG-NH1 3.33Å; L105-R250 WeakPolarHBondContact O-CA 3.37Å; V106-R250 HydrophobicContact CG1-CG 4.46Å; V106-R250 HydrophobicContact CG2-CG 4.28Å; L248-R250 WeakPolarHBondContact CD1-O 3.46Å; L248-R250 WeakPolarHBondContact CG-O 3.31Å
251	I	78.5	Confident	79.5	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.5	176	-64	146.3	0	0	0	107.7	S104 L105 I107 L248 Y253 N263 F264	S104-I251 CarbonylContact C-O 3.55Å; S104-I251 VanDerWaalsContact CA-O 3.25Å; S104-I251 WeakPolarHBondContact CA-O 3.5Å; L105-I251 HydrophobicContact CB-CB 4.3Å; L105-I251 HydrophobicContact CD2-CD1 4.34Å; L105-I251 PolarHBondContact N-O 3.45Å; L105-I251 PolarHBondContact O-N 2.81Å; I107-I251 HydrophobicContact CD1-CD1 3.41Å; I107-I251 VanDerWaalsContact CD1-CD1 3.41Å; I107-I251 HydrophobicContact CD1-CG1 4.11Å; I107-I251 HydrophobicContact CG1-CD1 4.06Å; L248-I251 HydrophobicContact CD2-CB 4.44Å; L248-I251 HydrophobicContact CD2-CG1 3.55Å; L248-I251 HydrophobicContact CG-CG1 4.21Å; I251-Y253 PolarHBondContact O-N 2.87Å; I251-N263 WeakPolarHBondContact CG2-O 3.18Å; I251-F264 HydrophobicContact CD1-CB 3.42Å; I251-F264 VanDerWaalsContact CD1-CB 3.42Å; I251-F264 HydrophobicContact CD1-CD1 4.48Å; I251-F264 HydrophobicContact CD1-CG 4.07Å; I251-F264 HydrophobicContact CG1-CB 4.33Å
252	P	76.8	Confident	80	Confident	35 Å²	35	49.3 Å²	49.3	23%	0.227	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	138.1	174.1	27.3	-35.6	0	0	0	110.7	C149 R151	C149-P252 WeakPolarHBondContact O-CD 3.47Å; C149-P252 VanDerWaalsContact O-CG 3.26Å; C149-P252 WeakPolarHBondContact O-CG 3.19Å; R151-P252 HydrophobicContact CG-CB 4.23Å
253	Y	84	Confident	80.3	Confident	8 Å²	8	52.2 Å²	52.2	3%	0.031	27%	0.272	C	S	.	.			trans	-109.7	157.1	165.5	63.9	-101	0	0	0	110.3	F98 D99 K103 R151 I251 V255 I260 S261	F98-Y253 HydrophobicContact CD1-CD1 4.03Å; F98-Y253 HydrophobicContact CD1-CE1 4.04Å; F98-Y253 HydrophobicContact CE1-CD1 4.48Å; D99-Y253 PolarHBondContact O-OH 3.19Å; K103-Y253 HydrophobicContact CB-CE2 4.39Å; K103-Y253 WeakPolarHBondContact O-CD1 3.28Å; K103-Y253 PolarHBondContact O-N 2.92Å; R151-Y253 PolarHBondContact NH2-O 2.67Å; I251-Y253 PolarHBondContact O-N 2.87Å; Y253-V255 HydrophobicContact CD2-CG2 3.61Å; Y253-V255 HydrophobicContact CE2-CG2 3.37Å; Y253-I260 HydrophobicContact CD2-CG2 3.65Å; Y253-I260 HydrophobicContact CE2-CG2 4.31Å; Y253-I260 HydrophobicContact CG-CG2 3.92Å; Y253-S261 CarbonylContact C-O 3.59Å; Y253-S261 WeakPolarHBondContact CA-O 3.47Å; Y253-S261 WeakPolarHBondContact CB-O 3.46Å
254	E	82.7	Confident	80.8	Confident	132 Å²	132	52.1 Å²	52.1	62%	0.617	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	146.1	172.9	-65.1	-177.8	176.8	0	0	109.6	I260 S261	E254-I260 WeakPolarHBondContact O-CA 3.39Å; E254-S261 PolarHBondContact N-O 2.95Å; E254-S261 PolarHBondContact O-N 2.85Å
255	V	85.1	Confident	81.5	Confident	78 Å²	78	48.8 Å²	48.8	47%	0.473	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.5	175.4	-171.2	0	0	0	0	107.6	Y253 V259 I260	Y253-V255 HydrophobicContact CD2-CG2 3.61Å; Y253-V255 HydrophobicContact CE2-CG2 3.37Å; V255-V259 WeakPolarHBondContact CA-O 3.49Å; V255-I260 HydrophobicContact CG2-CG1 4.25Å
256	K	86.1	Confident	82.3	Confident	153 Å²	153	45.4 Å²	45.4	67%	0.665	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.2	174.1	-172.9	177.6	178.1	-179	0	108.2	N258 V259	K256-N258 VanDerWaalsContact C-N 3.33Å; K256-N258 PolarHBondContact O-N 2.03Å; K256-V259 PolarHBondContact N-O 3.16Å; K256-V259 WeakPolarHBondContact O-CA 3.26Å; K256-V259 VanDerWaalsContact O-CB 3.29Å; K256-V259 WeakPolarHBondContact O-CB 3.41Å; K256-V259 PolarHBondContact O-N 3.41Å
257	D	84.5	Confident	83.1	Confident	140 Å²	140	46.9 Å²	46.9	75%	0.749	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	44.2	177.7	-52.5	-42.3	0	0	0	114.3	V259	D257-V259 PolarHBondContact O-N 2.86Å; D257-V259 VanDerWaalsContact O-N 3.12Å
258	N	82.6	Confident	83.7	Confident	141 Å²	141	46.9 Å²	46.9	75%	0.754	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	7.2	-173.1	-64.4	-25.6	0	0	0	115.8	K256	K256-N258 VanDerWaalsContact C-N 3.33Å; K256-N258 PolarHBondContact O-N 2.03Å
259	V	87.7	Confident	83.9	Confident	32 Å²	32	47.8 Å²	47.8	19%	0.194	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.7	170.5	179.9	0	0	0	0	109.5	K54 E56 V255 K256 D257	K54-V259 HydrophobicContact CB-CG1 4.05Å; K54-V259 HydrophobicContact CG-CG1 3.73Å; E56-V259 HydrophobicContact CG-CG2 3.94Å; V255-V259 WeakPolarHBondContact CA-O 3.49Å; K256-V259 PolarHBondContact N-O 3.16Å; K256-V259 WeakPolarHBondContact O-CA 3.26Å; K256-V259 VanDerWaalsContact O-CB 3.29Å; K256-V259 WeakPolarHBondContact O-CB 3.41Å; K256-V259 PolarHBondContact O-N 3.41Å; D257-V259 PolarHBondContact O-N 2.86Å; D257-V259 VanDerWaalsContact O-N 3.12Å
260	I	88.7	Confident	84	Confident	10 Å²	10	49.3 Å²	49.3	5%	0.051	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.7	179.9	-60.4	171.3	0	0	0	110	L55 L59 F98 Y253 E254 V255	L55-I260 HydrophobicContact CB-CB 4.16Å; L55-I260 PolarHBondContact N-O 3.19Å; L55-I260 PolarHBondContact O-N 2.72Å; L59-I260 HydrophobicContact CD1-CD1 3.44Å; L59-I260 VanDerWaalsContact CD1-CD1 3.44Å; L59-I260 HydrophobicContact CD2-CD1 3.2Å; L59-I260 HydrophobicContact CG-CD1 3.36Å; F98-I260 HydrophobicContact CE1-CG2 4.16Å; Y253-I260 HydrophobicContact CD2-CG2 3.65Å; Y253-I260 HydrophobicContact CE2-CG2 4.31Å; Y253-I260 HydrophobicContact CG-CG2 3.92Å; E254-I260 WeakPolarHBondContact O-CA 3.39Å; V255-I260 HydrophobicContact CG2-CG1 4.25Å
261	S	86.8	Confident	84.3	Confident	37 Å²	37	51.2 Å²	51.2	26%	0.259	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.7	173.9	53.8	0	0	0	0	112.2	I52 Y253 E254	I52-S261 WeakPolarHBondContact O-CA 3.47Å; I52-S261 WeakPolarHBondContact O-CB 3.11Å; Y253-S261 CarbonylContact C-O 3.59Å; Y253-S261 WeakPolarHBondContact CA-O 3.47Å; Y253-S261 WeakPolarHBondContact CB-O 3.46Å; E254-S261 PolarHBondContact N-O 2.95Å; E254-S261 PolarHBondContact O-N 2.85Å
262	A	84.9	Confident	84.6	Confident	3 Å²	3	54.5 Å²	54.5	3%	0.025	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	142.5	-177.3	0	0	0	0	0	110.9	I52	I52-A262 HydrophobicContact CB-CB 4.4Å; I52-A262 WeakPolarHBondContact CB-O 3.46Å; I52-A262 HydrophobicContact CD1-CB 4.26Å; I52-A262 PolarHBondContact N-O 3.39Å; I52-A262 PolarHBondContact O-N 2.97Å; I52-A262 VanDerWaalsContact O-N 3.12Å
263	N	83.9	Confident	85	Confident	61 Å²	61	53 Å²	53	33%	0.326	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130	-176.1	-58.2	-24.7	0	0	0	110.5	V50 F51 I251	V50-N263 WeakPolarHBondContact O-CA 3.12Å; F51-N263 HydrophobicContact CD1-CB 3.87Å; F51-N263 WeakPolarHBondContact CD1-OD1 3.48Å; F51-N263 HydrophobicContact CE1-CB 4.18Å; I251-N263 WeakPolarHBondContact CG2-O 3.18Å
264	F	84	Confident	85.3	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.4	176.3	65.1	-90	0	0	0	111.7	V50 L96 L105 F119 I251 V266	V50-F264 HydrophobicContact CB-CD1 4.19Å; V50-F264 HydrophobicContact CB-CD2 4.28Å; V50-F264 HydrophobicContact CB-CE1 3.7Å; V50-F264 HydrophobicContact CB-CE2 3.79Å; V50-F264 HydrophobicContact CB-CG 4.47Å; V50-F264 HydrophobicContact CB-CZ 3.48Å; V50-F264 VanDerWaalsContact CB-CZ 3.48Å; V50-F264 HydrophobicContact CG1-CE1 3.8Å; V50-F264 HydrophobicContact CG1-CZ 3.76Å; V50-F264 HydrophobicContact CG2-CD2 4.42Å; V50-F264 HydrophobicContact CG2-CE1 4.4Å; V50-F264 HydrophobicContact CG2-CE2 3.67Å; V50-F264 HydrophobicContact CG2-CZ 3.67Å; V50-F264 PolarHBondContact N-O 3.4Å; V50-F264 PolarHBondContact O-N 3.19Å; L96-F264 HydrophobicContact CD2-CE1 4.17Å; L96-F264 HydrophobicContact CD2-CE2 4.18Å; L96-F264 HydrophobicContact CD2-CZ 3.97Å; L105-F264 HydrophobicContact CD2-CD1 3.9Å; L105-F264 HydrophobicContact CD2-CE1 3.98Å; F119-F264 HydrophobicContact CD1-CD2 4.12Å; F119-F264 HydrophobicContact CE1-CD2 4.26Å; F119-F264 HydrophobicContact CE1-CE2 4.32Å; I251-F264 HydrophobicContact CD1-CB 3.42Å; I251-F264 VanDerWaalsContact CD1-CB 3.42Å; I251-F264 HydrophobicContact CD1-CD1 4.48Å; I251-F264 HydrophobicContact CD1-CG 4.07Å; I251-F264 HydrophobicContact CG1-CB 4.33Å; F264-V266 HydrophobicContact CD2-CG2 3.99Å; F264-V266 HydrophobicContact CE2-CG2 4Å
265	T	84	Confident	85.6	Confident	12 Å²	12	49.4 Å²	49.4	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.7	171.9	-69	0	0	0	0	109	F47 L48 S49 F119 E120 S122 R267	F47-T265 HydrophobicContact CB-CG2 3.93Å; F47-T265 HydrophobicContact CD2-CG2 4.11Å; F47-T265 HydrophobicContact CG-CG2 4.36Å; L48-T265 CarbonylContact O-C 3.59Å; L48-T265 WeakPolarHBondContact O-CA 3.37Å; S49-T265 WeakPolarHBondContact CB-OG1 3.41Å; S49-T265 PolarHBondContact OG-OG1 2.94Å; F119-T265 CarbonylContact C-O 3.57Å; F119-T265 WeakPolarHBondContact CA-O 3.38Å; E120-T265 PolarHBondContact N-O 3.4Å; E120-T265 PolarHBondContact O-N 3.41Å; S122-T265 WeakPolarHBondContact OG-CB 3.43Å; S122-T265 PolarHBondContact OG-N 3.17Å; S122-T265 VanDerWaalsContact OG-N 3.13Å; S122-T265 PolarHBondContact OG-OG1 2.88Å; T265-R267 HydrophobicContact CG2-CG 4.31Å
266	V	88	Confident	85.8	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.9	172.1	-169.2	0	0	0	0	108.1	F47 L48 L66 V117 I118 F119 F264 F268	F47-V266 CarbonylContact C-O 3.45Å; F47-V266 WeakPolarHBondContact CA-O 3.12Å; F47-V266 WeakPolarHBondContact CB-O 3.5Å; L48-V266 HydrophobicContact CB-CB 4.33Å; L48-V266 PolarHBondContact N-O 3.23Å; L48-V266 PolarHBondContact O-N 3.48Å; L66-V266 HydrophobicContact CD2-CG1 3.86Å; L66-V266 HydrophobicContact CD2-CG2 4.34Å; V117-V266 HydrophobicContact CG1-CG1 3.34Å; I118-V266 CarbonylContact O-C 3.47Å; I118-V266 WeakPolarHBondContact O-CA 3.47Å; F119-V266 HydrophobicContact CD1-CG2 3.76Å; F119-V266 HydrophobicContact CE1-CG2 3.44Å; F119-V266 VanDerWaalsContact CE1-CG2 3.44Å; F119-V266 HydrophobicContact CE2-CG1 4.41Å; F119-V266 HydrophobicContact CZ-CG1 4.28Å; F119-V266 HydrophobicContact CZ-CG2 3.94Å; F264-V266 HydrophobicContact CD2-CG2 3.99Å; F264-V266 HydrophobicContact CE2-CG2 4Å; V266-F268 HydrophobicContact CG1-CE1 4.36Å; V266-F268 HydrophobicContact CG1-CE2 4.26Å; V266-F268 HydrophobicContact CG1-CZ 3.93Å
267	R	85.2	Confident	86	Confident	32 Å²	32	39.7 Å²	39.7	12%	0.121	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.4	176.2	-69.2	-168	174.5	-91.7	-1.2	111.3	F47 I118 E120 T265 L269	F47-R267 HydrophobicContact CB-CG 4.18Å; I118-R267 PolarHBondContact N-O 2.62Å; I118-R267 VanDerWaalsContact N-O 3.09Å; I118-R267 PolarHBondContact O-N 2.96Å; E120-R267 WeakPolarHBondContact OE1-CD 3.47Å; E120-R267 IonicContact OE1-NE 2.72Å; E120-R267 PolarHBondContact OE1-NE 2.92Å; E120-R267 WeakPolarHBondContact OE2-CD 3.14Å; E120-R267 IonicContact OE2-CZ 2.67Å; E120-R267 IonicContact OE2-NE 3.79Å; E120-R267 PolarHBondContact OE2-NE 3.23Å; E120-R267 IonicContact OE2-NH2 3.69Å; T265-R267 HydrophobicContact CG2-CG 4.31Å; R267-L269 HydrophobicContact CB-CD2 4Å; R267-L269 HydrophobicContact CB-CG 4.22Å
268	F	87.4	Confident	86.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	94.7	175.2	-54	-86.2	0	0	0	108.3	F42 D45 S46 L48 L66 V117 V266 E273 Y277	F42-F268 HydrophobicContact CB-CB 4.45Å; F42-F268 HydrophobicContact CB-CD1 4.39Å; F42-F268 HydrophobicContact CB-CD2 3.6Å; F42-F268 HydrophobicContact CB-CE2 3.87Å; F42-F268 HydrophobicContact CB-CG 3.89Å; F42-F268 HydrophobicContact CB-CZ 4.38Å; F42-F268 AromaticContact CD1-CD2 3.67Å; F42-F268 HydrophobicContact CD1-CD2 3.67Å; F42-F268 AromaticContact CD1-CE2 3.57Å; F42-F268 HydrophobicContact CD1-CE2 3.57Å; F42-F268 HydrophobicContact CD2-CD2 4.14Å; F42-F268 AromaticContact CD2-CE2 3.49Å; F42-F268 HydrophobicContact CD2-CE2 3.49Å; F42-F268 VanDerWaalsContact CD2-CE2 3.49Å; F42-F268 AromaticContact CD2-CZ 3.7Å; F42-F268 HydrophobicContact CD2-CZ 3.7Å; F42-F268 HydrophobicContact CE1-CD2 4.43Å; F42-F268 AromaticContact CE1-CE2 3.97Å; F42-F268 HydrophobicContact CE1-CE2 3.97Å; F42-F268 AromaticContact CE2-CE2 3.89Å; F42-F268 HydrophobicContact CE2-CE2 3.89Å; F42-F268 HydrophobicContact CE2-CZ 4.13Å; F42-F268 AromaticContact CG-CD2 3.52Å; F42-F268 HydrophobicContact CG-CD2 3.52Å; F42-F268 AromaticContact CG-CE2 3.32Å; F42-F268 HydrophobicContact CG-CE2 3.32Å; F42-F268 HydrophobicContact CG-CG 4.27Å; F42-F268 AromaticContact CG-CZ 3.96Å; F42-F268 HydrophobicContact CG-CZ 3.96Å; F42-F268 HydrophobicContact CZ-CE2 4.13Å; D45-F268 WeakPolarHBondContact CA-O 3.13Å; D45-F268 PolarHBondContact N-O 2.44Å; S46-F268 PolarHBondContact N-O 3.15Å; S46-F268 PolarHBondContact O-N 3.14Å; L48-F268 HydrophobicContact CB-CE2 4.43Å; L66-F268 HydrophobicContact CD2-CZ 4.42Å; V117-F268 HydrophobicContact CG1-CE1 4.14Å; V117-F268 HydrophobicContact CG2-CD1 4.1Å; V117-F268 HydrophobicContact CG2-CE1 4.15Å; V266-F268 HydrophobicContact CG1-CE1 4.36Å; V266-F268 HydrophobicContact CG1-CE2 4.26Å; V266-F268 HydrophobicContact CG1-CZ 3.93Å; F268-E273 HydrophobicContact CD1-CB 4.43Å; F268-Y277 HydrophobicContact CD1-CD2 4.36Å; F268-Y277 HydrophobicContact CD1-CE1 4.42Å; F268-Y277 AromaticContact CD1-CE2 3.75Å; F268-Y277 HydrophobicContact CD1-CE2 3.75Å; F268-Y277 AromaticContact CD1-CZ 3.78Å; F268-Y277 AromaticContact CE1-CD1 3.88Å; F268-Y277 HydrophobicContact CE1-CD1 3.88Å; F268-Y277 AromaticContact CE1-CD2 3.74Å; F268-Y277 HydrophobicContact CE1-CD2 3.74Å; F268-Y277 AromaticContact CE1-CE1 3.62Å; F268-Y277 HydrophobicContact CE1-CE1 3.62Å; F268-Y277 AromaticContact CE1-CE2 3.46Å; F268-Y277 HydrophobicContact CE1-CE2 3.46Å; F268-Y277 VanDerWaalsContact CE1-CE2 3.46Å; F268-Y277 AromaticContact CE1-CG 3.92Å; F268-Y277 HydrophobicContact CE1-CG 3.92Å; F268-Y277 AromaticContact CE1-CZ 3.39Å; F268-Y277 HydrophobicContact CZ-CD1 4.27Å; F268-Y277 HydrophobicContact CZ-CD2 4.06Å; F268-Y277 HydrophobicContact CZ-CE1 4.44Å; F268-Y277 HydrophobicContact CZ-CE2 4.24Å; F268-Y277 HydrophobicContact CZ-CG 4.05Å
269	L	80.6	Confident	86.5	Confident	20 Å²	20	27.6 Å²	27.6	11%	0.105	16%	0.156	C	C	.	.			trans	-89.5	-35	-164.8	-62.1	173.8	0	0	0	114.1	K44 I118 Y191 R267	K44-L269 WeakPolarHBondContact CE-O 3.39Å; K44-L269 WeakPolarHBondContact CG-O 3.44Å; I118-L269 HydrophobicContact CG1-CD1 3.72Å; Y191-L269 HydrophobicContact CD1-CD1 3.62Å; Y191-L269 HydrophobicContact CD1-CD2 4.31Å; Y191-L269 HydrophobicContact CD2-CD1 3.99Å; Y191-L269 HydrophobicContact CE1-CD1 3.41Å; Y191-L269 VanDerWaalsContact CE1-CD1 3.41Å; Y191-L269 HydrophobicContact CE1-CD2 3.88Å; Y191-L269 HydrophobicContact CE1-CG 4.3Å; Y191-L269 HydrophobicContact CE2-CD1 3.86Å; Y191-L269 HydrophobicContact CG-CD1 3.88Å; R267-L269 HydrophobicContact CB-CD2 4Å; R267-L269 HydrophobicContact CB-CG 4.22Å
270	N	82.9	Confident	86.5	Confident	79 Å²	79	27.8 Å²	27.8	42%	0.422	15%	0.154	S	C	.	.	S	Bend	trans	-112.5	167.2	-178.9	-33.4	-69.1	0	0	0	112	S272 E273	N270-S272 PolarHBondContact O-N 2.49Å; N270-E273 WeakPolarHBondContact CB-OE2 3.19Å; N270-E273 PolarHBondContact ND2-OE2 2.93Å; N270-E273 PolarHBondContact O-N 3.29Å
271	T	85.9	Confident	86.6	Confident	97 Å²	97	27.5 Å²	27.5	60%	0.595	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-66.6	-25.2	179.8	50.8	0	0	0	0	112.9	K44 E273 E274	K44-T271 HydrophobicContact CB-CG2 4.33Å; K44-T271 HydrophobicContact CD-CG2 4.08Å; K44-T271 HydrophobicContact CG-CG2 4.43Å; T271-E273 VanDerWaalsContact C-N 3.27Å; T271-E273 PolarHBondContact O-N 2.87Å; T271-E274 WeakPolarHBondContact O-CB 3.29Å; T271-E274 WeakPolarHBondContact O-CG 3.17Å; T271-E274 PolarHBondContact O-N 2.96Å
272	S	85.3	Confident	86.6	Confident	72 Å²	72	26 Å²	26	50%	0.503	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-64.9	-31.4	176.8	31.1	0	0	0	0	113	K68 N270 E274	K68-S272 PolarHBondContact NZ-O 3.42Å; K68-S272 VanDerWaalsContact NZ-O 3.08Å; N270-S272 PolarHBondContact O-N 2.49Å; S272-E274 VanDerWaalsContact C-N 3.33Å
273	E	85.9	Confident	86.6	Confident	2 Å²	2	26 Å²	26	1%	0.009	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-89.1	-2	-177.9	-66.4	74.5	-169.4	0	0	111.8	G116 V117 F268 N270 T271 G275 Y277	G116-E273 WeakPolarHBondContact CA-OE1 3.39Å; G116-E273 PolarHBondContact N-OE1 3.01Å; G116-E273 VanDerWaalsContact N-OE1 3.16Å; V117-E273 HydrophobicContact CG2-CB 4.21Å; V117-E273 HydrophobicContact CG2-CG 3.92Å; F268-E273 HydrophobicContact CD1-CB 4.43Å; N270-E273 WeakPolarHBondContact CB-OE2 3.19Å; N270-E273 PolarHBondContact ND2-OE2 2.93Å; N270-E273 PolarHBondContact O-N 3.29Å; T271-E273 VanDerWaalsContact C-N 3.27Å; T271-E273 PolarHBondContact O-N 2.87Å; E273-G275 PolarHBondContact O-N 3.03Å; E273-Y277 WeakPolarHBondContact O-CE2 3.14Å; E273-Y277 VanDerWaalsContact O-CZ 3.29Å; E273-Y277 PolarHBondContact O-OH 3.39Å
274	E	89.1	Confident	86.5	Confident	64 Å²	64	23.8 Å²	23.8	30%	0.299	13%	0.13	S	C	.	.			trans	-60.9	137.5	172.8	-66	-175.9	167.4	0	0	110.9	F42 K44 K68 T271 S272	F42-E274 WeakPolarHBondContact O-CA 3.39Å; K44-E274 VanDerWaalsContact CB-OE1 3.26Å; K44-E274 WeakPolarHBondContact CB-OE1 3.43Å; K44-E274 PolarHBondContact N-OE1 2.92Å; K68-E274 WeakPolarHBondContact CE-O 3.35Å; K68-E274 PolarHBondContact NZ-O 3.34Å; T271-E274 WeakPolarHBondContact O-CB 3.29Å; T271-E274 WeakPolarHBondContact O-CG 3.17Å; T271-E274 PolarHBondContact O-N 2.96Å; S272-E274 VanDerWaalsContact C-N 3.33Å
275	G	89.5	Confident	86.4	Confident	1 Å²	1	24 Å²	24	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	168.5	-175.8	0	0	0	0	0	113.4	G41 F42 E273 Y277 Y530	G41-G275 CarbonylContact C-O 3.53Å; G41-G275 WeakPolarHBondContact CA-O 2.9Å; F42-G275 PolarHBondContact N-O 2.87Å; F42-G275 PolarHBondContact O-N 3.29Å; F42-G275 VanDerWaalsContact O-N 3.09Å; E273-G275 PolarHBondContact O-N 3.03Å; G275-Y277 WeakPolarHBondContact O-CD2 3.38Å; G275-Y530 VanDerWaalsContact CA-CZ 3.43Å; G275-Y530 WeakPolarHBondContact CA-OH 3.06Å; G275-Y530 PolarHBondContact N-OH 3.1Å; G275-Y530 VanDerWaalsContact N-OH 3.15Å
276	L	89.7	Confident	86	Confident	25 Å²	25	30 Å²	30	13%	0.131	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.8	162.9	179.9	64.4	0	0	0	108.2	K68 A69 Y530	K68-L276 CarbonylContact C-O 3.53Å; K68-L276 WeakPolarHBondContact CA-O 3.39Å; A69-L276 HydrophobicContact CB-CB 3.87Å; A69-L276 HydrophobicContact CB-CD2 3.78Å; A69-L276 HydrophobicContact CB-CG 3.93Å; A69-L276 PolarHBondContact N-O 2.88Å; L276-Y530 HydrophobicContact CB-CD1 4.12Å; L276-Y530 HydrophobicContact CB-CD2 4.11Å; L276-Y530 HydrophobicContact CB-CG 3.65Å
277	Y	90	Very high	85.4	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.4	179.1	-70.6	-100.5	0	0	0	111.2	F40 F42 L66 D67 K68 Y114 F268 E273 G275	F40-Y277 PolarHBondContact N-O 3.34Å; F40-Y277 VanDerWaalsContact N-O 3.1Å; F40-Y277 PolarHBondContact O-N 3.4Å; F42-Y277 HydrophobicContact CB-CD2 4.26Å; F42-Y277 AromaticContact CD2-CD2 3.77Å; F42-Y277 HydrophobicContact CD2-CD2 3.77Å; F42-Y277 HydrophobicContact CD2-CG 4.16Å; F42-Y277 HydrophobicContact CG-CD2 4.49Å; L66-Y277 HydrophobicContact CD1-CD1 4.25Å; L66-Y277 HydrophobicContact CD2-CD1 4.42Å; L66-Y277 HydrophobicContact CG-CD1 4.05Å; D67-Y277 CarbonylContact O-C 3.55Å; D67-Y277 WeakPolarHBondContact O-CA 3.33Å; K68-Y277 HydrophobicContact CB-CD1 4.05Å; K68-Y277 HydrophobicContact CB-CE1 3.76Å; K68-Y277 HydrophobicContact CD-CE1 4.35Å; K68-Y277 HydrophobicContact CD-CE2 4.44Å; K68-Y277 HydrophobicContact CG-CE1 4.07Å; K68-Y277 HydrophobicContact CG-CE2 4.21Å; Y114-Y277 HydrophobicContact CD1-CE1 4.31Å; Y114-Y277 AromaticContact CE1-CE1 3.98Å; Y114-Y277 HydrophobicContact CE1-CE1 3.98Å; F268-Y277 HydrophobicContact CD1-CD2 4.36Å; F268-Y277 HydrophobicContact CD1-CE1 4.42Å; F268-Y277 AromaticContact CD1-CE2 3.75Å; F268-Y277 HydrophobicContact CD1-CE2 3.75Å; F268-Y277 AromaticContact CD1-CZ 3.78Å; F268-Y277 AromaticContact CE1-CD1 3.88Å; F268-Y277 HydrophobicContact CE1-CD1 3.88Å; F268-Y277 AromaticContact CE1-CD2 3.74Å; F268-Y277 HydrophobicContact CE1-CD2 3.74Å; F268-Y277 AromaticContact CE1-CE1 3.62Å; F268-Y277 HydrophobicContact CE1-CE1 3.62Å; F268-Y277 AromaticContact CE1-CE2 3.46Å; F268-Y277 HydrophobicContact CE1-CE2 3.46Å; F268-Y277 VanDerWaalsContact CE1-CE2 3.46Å; F268-Y277 AromaticContact CE1-CG 3.92Å; F268-Y277 HydrophobicContact CE1-CG 3.92Å; F268-Y277 AromaticContact CE1-CZ 3.39Å; F268-Y277 HydrophobicContact CZ-CD1 4.27Å; F268-Y277 HydrophobicContact CZ-CD2 4.06Å; F268-Y277 HydrophobicContact CZ-CE1 4.44Å; F268-Y277 HydrophobicContact CZ-CE2 4.24Å; F268-Y277 HydrophobicContact CZ-CG 4.05Å; E273-Y277 WeakPolarHBondContact O-CE2 3.14Å; E273-Y277 VanDerWaalsContact O-CZ 3.29Å; E273-Y277 PolarHBondContact O-OH 3.39Å; G275-Y277 WeakPolarHBondContact O-CD2 3.38Å
278	H	87.7	Confident	84.9	Confident	25 Å²	25	36 Å²	36	12%	0.116	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.8	176	-58	171	0	0	0	109.1	L36 S38 H39 L66 D67 Y280	L36-H278 HydrophobicContact CD1-CB 3.81Å; S38-H278 WeakPolarHBondContact O-CA 3.27Å; H39-H278 AromaticContact CE1-CD2 3.89Å; H39-H278 AromaticContact CE1-NE2 3.21Å; H39-H278 PolarHBondContact CE1-NE2 3.46Å; H39-H278 AromaticContact ND1-CD2 3.14Å; H39-H278 PolarHBondContact ND1-CD2 2.94Å; H39-H278 AromaticContact ND1-CE1 3.84Å; H39-H278 AromaticContact ND1-NE2 2.9Å; H39-H278 PolarHBondContact ND1-NE2 2.9Å; L66-H278 WeakPolarHBondContact CA-O 3.49Å; D67-H278 PolarHBondContact N-O 3.31Å; D67-H278 PolarHBondContact O-N 3.11Å; H278-Y280 HydrophobicContact CB-CD2 3.9Å; H278-Y280 HydrophobicContact CB-CE2 3.31Å; H278-Y280 AromaticContact ND1-CE2 3.87Å; H278-Y280 AromaticContact ND1-CZ 3.95Å; H278-Y280 PolarHBondContact ND1-OH 3.41Å
279	L	89.5	Confident	84.3	Confident	2 Å²	2	43 Å²	43	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.6	167.7	-178.8	67.6	0	0	0	108.1	C37 S38 V50 F64 T65 L66 M303	C37-L279 WeakPolarHBondContact CA-O 3.36Å; C37-L279 HydrophobicContact CB-CB 4.38Å; C37-L279 HydrophobicContact CB-CD2 4.09Å; C37-L279 HydrophobicContact CB-CG 4.14Å; C37-L279 WeakPolarHBondContact CB-O 3.26Å; C37-L279 PolarHBondContact N-O 3.46Å; S38-L279 PolarHBondContact N-O 3.32Å; S38-L279 PolarHBondContact O-N 3.41Å; V50-L279 HydrophobicContact CG1-CD2 4.4Å; V50-L279 HydrophobicContact CG2-CD2 3.85Å; F64-L279 HydrophobicContact CB-CD1 4.37Å; F64-L279 HydrophobicContact CD1-CD1 4.46Å; T65-L279 WeakPolarHBondContact O-CA 3.36Å; L66-L279 HydrophobicContact CD1-CB 4.46Å; L279-M303 HydrophobicContact CD2-SD 3.97Å
280	Y	88.4	Confident	84	Confident	37 Å²	37	51.6 Å²	51.6	15%	0.145	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.1	173.6	-67.2	-89.3	0	0	0	111.1	V35 L36 F64 T65 H278 H282	V35-Y280 WeakPolarHBondContact O-CA 3.43Å; L36-Y280 HydrophobicContact CB-CD1 4.09Å; L36-Y280 HydrophobicContact CB-CE1 3.8Å; L36-Y280 HydrophobicContact CD1-CD1 4.15Å; L36-Y280 HydrophobicContact CD1-CE1 3.72Å; L36-Y280 HydrophobicContact CD1-CE2 4.19Å; L36-Y280 HydrophobicContact CG-CE1 4.29Å; F64-Y280 CarbonylContact C-O 3.52Å; F64-Y280 WeakPolarHBondContact CA-O 3.18Å; T65-Y280 PolarHBondContact N-O 2.93Å; T65-Y280 PolarHBondContact O-N 3.42Å; H278-Y280 HydrophobicContact CB-CD2 3.9Å; H278-Y280 HydrophobicContact CB-CE2 3.31Å; H278-Y280 AromaticContact ND1-CE2 3.87Å; H278-Y280 AromaticContact ND1-CZ 3.95Å; H278-Y280 PolarHBondContact ND1-OH 3.41Å; Y280-H282 WeakPolarHBondContact CB-NE2 3.3Å
281	F	89.2	Confident	83.5	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.5	162.6	165.9	-95.9	0	0	0	108.8	L27 S34 V35 C37 I62 F64 N283 V297 L299	L27-F281 HydrophobicContact CD1-CD1 4.12Å; L27-F281 HydrophobicContact CD1-CE1 4.4Å; S34-F281 CarbonylContact C-O 3.55Å; S34-F281 VanDerWaalsContact CA-O 3.29Å; S34-F281 WeakPolarHBondContact CA-O 3.49Å; S34-F281 PolarHBondContact OG-O 2.81Å; V35-F281 HydrophobicContact CB-CB 4.43Å; V35-F281 HydrophobicContact CB-CD1 4.24Å; V35-F281 HydrophobicContact CG2-CD1 4.21Å; V35-F281 PolarHBondContact N-O 3.14Å; V35-F281 PolarHBondContact O-N 2.99Å; C37-F281 WeakPolarHBondContact SG-CB 3.44Å; I62-F281 HydrophobicContact CB-CE2 4.46Å; I62-F281 HydrophobicContact CG1-CE2 4.37Å; I62-F281 HydrophobicContact CG1-CZ 4.42Å; I62-F281 HydrophobicContact CG2-CD2 4.14Å; I62-F281 HydrophobicContact CG2-CE2 3.45Å; I62-F281 VanDerWaalsContact CG2-CE2 3.45Å; I62-F281 HydrophobicContact CG2-CZ 4.28Å; F64-F281 HydrophobicContact CD1-CB 4.08Å; F64-F281 HydrophobicContact CD1-CD2 4.37Å; F64-F281 HydrophobicContact CE1-CB 3.83Å; F64-F281 AromaticContact CE1-CD2 3.73Å; F64-F281 HydrophobicContact CE1-CD2 3.73Å; F64-F281 HydrophobicContact CE1-CG 4.27Å; F64-F281 HydrophobicContact CE2-CD2 4.3Å; F64-F281 AromaticContact CZ-CD2 3.69Å; F64-F281 HydrophobicContact CZ-CD2 3.69Å; F64-F281 HydrophobicContact CZ-CE2 4.44Å; F281-N283 HydrophobicContact CE1-CB 4.1Å; F281-N283 HydrophobicContact CZ-CB 4.43Å; F281-V297 HydrophobicContact CE2-CG1 4.49Å; F281-V297 HydrophobicContact CZ-CB 4.18Å; F281-V297 HydrophobicContact CZ-CG1 3.82Å; F281-V297 HydrophobicContact CZ-CG2 4.36Å; F281-L299 HydrophobicContact CB-CD2 4.34Å; F281-L299 HydrophobicContact CD1-CD2 4.41Å; F281-L299 HydrophobicContact CD2-CD2 3.55Å; F281-L299 HydrophobicContact CE2-CD2 3.85Å; F281-L299 HydrophobicContact CG-CD2 3.85Å; F281-L299 HydrophobicContact CZ-CD2 4.44Å
282	H	86.8	Confident	82.9	Confident	7 Å²	7	49 Å²	49	3%	0.032	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.4	178.3	-55.2	-72.7	0	0	0	111.4	K33 S34 I62 T63 T65 I78 F86 Y280	K33-H282 CarbonylContact O-C 3.49Å; K33-H282 WeakPolarHBondContact O-CA 3.35Å; S34-H282 WeakPolarHBondContact CB-ND1 3.37Å; S34-H282 PolarHBondContact OG-CE1 2.92Å; S34-H282 PolarHBondContact OG-ND1 3.25Å; I62-H282 WeakPolarHBondContact CA-O 3.25Å; T63-H282 PolarHBondContact N-O 2.85Å; T63-H282 PolarHBondContact O-N 3.17Å; T65-H282 WeakPolarHBondContact CG2-NE2 3.44Å; T65-H282 PolarHBondContact OG1-NE2 2.9Å; I78-H282 WeakPolarHBondContact CD1-CE1 3.45Å; F86-H282 AromaticContact CE2-CD2 3.68Å; F86-H282 AromaticContact CE2-NE2 3.91Å; Y280-H282 WeakPolarHBondContact CB-NE2 3.3Å
283	N	86.7	Confident	82.2	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.011	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	100.3	170	-179.5	1.6	0	0	0	109	R32 K33 Y61 F281 A285 H295	R32-N283 WeakPolarHBondContact O-CB 3.46Å; K33-N283 PolarHBondContact O-N 2.88Å; Y61-N283 CarbonylContact O-C 3.48Å; Y61-N283 WeakPolarHBondContact O-CA 3.43Å; F281-N283 HydrophobicContact CE1-CB 4.1Å; F281-N283 HydrophobicContact CZ-CB 4.43Å; N283-A285 VanDerWaalsContact C-N 3.3Å; N283-A285 VanDerWaalsContact OD1-CB 3.23Å; N283-A285 WeakPolarHBondContact OD1-CB 3.43Å; N283-A285 PolarHBondContact OD1-N 2.82Å; N283-A285 VanDerWaalsContact OD1-N 3.11Å; N283-H295 PolarHBondContact ND2-O 3.5Å
284	C	82	Confident	81.9	Confident	15 Å²	15	54.9 Å²	54.9	10%	0.101	29%	0.291	C	S	.	.			trans	-92.7	18.3	-179.8	-37.8	0	0	0	0	112.7	Y61 C85 E286	Y61-C284 PolarHBondContact O-N 2.89Å; C85-C284 WeakPolarHBondContact CA-SG 3.22Å; C85-C284 HydrophobicContact CB-CB 3.75Å; C85-C284 WeakPolarHBondContact CB-SG 3.25Å; C85-C284 WeakPolarHBondContact SG-CB 3.41Å; C85-C284 CovalentContact SG-SG 2.03Å; C85-C284 PolarHBondContact SG-SG 3.09Å; C284-E286 PolarHBondContact O-N 3.33Å
285	A	80.5	Confident	81.5	Confident	5 Å²	5	56.9 Å²	56.9	4%	0.041	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-61.9	140.1	174.7	0	0	0	0	0	109.2	Y61 N283 R294 H295	Y61-A285 HydrophobicContact CD2-CB 4.43Å; Y61-A285 HydrophobicContact CG-CB 4.13Å; N283-A285 VanDerWaalsContact C-N 3.3Å; N283-A285 VanDerWaalsContact OD1-CB 3.23Å; N283-A285 WeakPolarHBondContact OD1-CB 3.43Å; N283-A285 PolarHBondContact OD1-N 2.82Å; N283-A285 VanDerWaalsContact OD1-N 3.11Å; A285-R294 WeakPolarHBondContact O-CD 3.4Å; A285-R294 PolarHBondContact O-NE 2.6Å; A285-H295 HydrophobicContact CB-CB 3.89Å
286	E	75.4	Confident	81.2	Confident	140 Å²	140	59.2 Å²	59.2	65%	0.654	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-58.5	148.1	174.5	-70.5	-179.4	-173	0	0	110.3	C284 N288	C284-E286 PolarHBondContact O-N 3.33Å; E286-N288 PolarHBondContact O-N 2.98Å
287	L	76.8	Confident	81	Confident	73 Å²	73	58.2 Å²	58.2	38%	0.382	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.7	173	-77.2	160.8	0	0	0	108.2	V289 G292 R294	L287-V289 PolarHBondContact O-N 3.1Å; L287-G292 WeakPolarHBondContact CD2-O 3.45Å; L287-R294 HydrophobicContact CD2-CG 3.52Å; L287-R294 HydrophobicContact CG-CG 3.92Å
288	N	74.3	Confident	80.9	Confident	86 Å²	86	59.8 Å²	59.8	46%	0.46	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	111.5	171.1	-74.4	-29.2	0	0	0	108.2	E286 E290 S291 G292 K293	E286-N288 PolarHBondContact O-N 2.98Å; N288-E290 PolarHBondContact O-N 3.37Å; N288-E290 VanDerWaalsContact O-N 3.11Å; N288-S291 WeakPolarHBondContact CB-OG 3.45Å; N288-S291 PolarHBondContact O-N 2.65Å; N288-G292 PolarHBondContact O-N 3.32Å; N288-K293 WeakPolarHBondContact CB-O 3.19Å; N288-K293 PolarHBondContact N-O 2.87Å
289	V	73.6	Confident	81	Confident	146 Å²	146	58.7 Å²	58.7	89%	0.885	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-37.6	-174.8	-178.5	0	0	0	0	111.9	L287	L287-V289 PolarHBondContact O-N 3.1Å
290	E	75.3	Confident	81.1	Confident	200 Å²	200	59.6 Å²	59.6	94%	0.935	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-32.4	-178.3	-61.2	-177.4	168.9	0	0	114.1	N288	N288-E290 PolarHBondContact O-N 3.37Å; N288-E290 VanDerWaalsContact O-N 3.11Å
291	S	71.8	Confident	81.1	Confident	65 Å²	65	57.9 Å²	57.9	46%	0.455	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-14.9	-173.8	71.6	0	0	0	0	113.7	N288 K293	N288-S291 WeakPolarHBondContact CB-OG 3.45Å; N288-S291 PolarHBondContact O-N 2.65Å; S291-K293 PolarHBondContact O-N 3.32Å; S291-K293 VanDerWaalsContact O-N 3.14Å; S291-K293 PolarHBondContact OG-N 3.02Å
292	G	73.2	Confident	81	Confident	57 Å²	57	60.9 Å²	60.9	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	10.9	-169.4	0	0	0	0	0	113.9	L287 N288	L287-G292 WeakPolarHBondContact CD2-O 3.45Å; N288-G292 PolarHBondContact O-N 3.32Å
293	K	71.6	Confident	81	Confident	152 Å²	152	60.5 Å²	60.5	66%	0.661	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.5	-177.1	-66.1	178.9	-177.4	179.9	0	111	N288 S291	N288-K293 WeakPolarHBondContact CB-O 3.19Å; N288-K293 PolarHBondContact N-O 2.87Å; S291-K293 PolarHBondContact O-N 3.32Å; S291-K293 VanDerWaalsContact O-N 3.14Å; S291-K293 PolarHBondContact OG-N 3.02Å
294	R	78.1	Confident	80.9	Confident	46 Å²	46	61 Å²	61	17%	0.174	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	156	170.5	-67.6	-173.2	168.8	75.6	3.3	110.1	A285 L287 S296	A285-R294 WeakPolarHBondContact O-CD 3.4Å; A285-R294 PolarHBondContact O-NE 2.6Å; L287-R294 HydrophobicContact CD2-CG 3.52Å; L287-R294 HydrophobicContact CG-CG 3.92Å; R294-S296 PolarHBondContact O-N 2.99Å
295	H	81.3	Confident	81.2	Confident	106 Å²	106	60.4 Å²	60.4	49%	0.491	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-58	129.6	172.7	-166.5	76.4	0	0	0	110.3	N283 A285	N283-H295 PolarHBondContact ND2-O 3.5Å; A285-H295 HydrophobicContact CB-CB 3.89Å
296	S	82.6	Confident	81.5	Confident	49 Å²	49	63.1 Å²	63.1	34%	0.343	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-76.9	143	-175.4	56.5	0	0	0	0	111.9	D30 R294	D30-S296 WeakPolarHBondContact O-CA 3.45Å; R294-S296 PolarHBondContact O-N 2.99Å
297	V	86	Confident	82.2	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.3	177.7	177.5	0	0	0	0	110.1	D30 L55 E56 I62 F281 L299	D30-V297 PolarHBondContact N-O 3.35Å; D30-V297 PolarHBondContact O-N 3.46Å; L55-V297 HydrophobicContact CD1-CG1 3.77Å; E56-V297 WeakPolarHBondContact O-CG1 3.42Å; I62-V297 HydrophobicContact CD1-CG1 4.02Å; I62-V297 HydrophobicContact CD1-CG2 4.2Å; F281-V297 HydrophobicContact CE2-CG1 4.49Å; F281-V297 HydrophobicContact CZ-CB 4.18Å; F281-V297 HydrophobicContact CZ-CG1 3.82Å; F281-V297 HydrophobicContact CZ-CG2 4.36Å; V297-L299 HydrophobicContact CG1-CB 4.49Å
298	N	89	Confident	82.5	Confident	36 Å²	36	56.5 Å²	56.5	19%	0.193	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.9	166.5	-64.4	-34.4	0	0	0	109.2	L27 K28 N29 L55 E56	L27-N298 CarbonylContact O-C 3.58Å; L27-N298 WeakPolarHBondContact O-CA 3.37Å; K28-N298 WeakPolarHBondContact CA-OD1 3.49Å; N29-N298 PolarHBondContact N-OD1 3.15Å; N29-N298 PolarHBondContact OD1-OD1 3.48Å; L55-N298 WeakPolarHBondContact CA-O 3.26Å; E56-N298 HydrophobicContact CB-CB 4.18Å; E56-N298 PolarHBondContact N-O 3.09Å; E56-N298 PolarHBondContact O-N 3.3Å; E56-N298 PolarHBondContact OE2-ND2 3.01Å
299	L	89.5	Confident	82.9	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.5	-178.6	178.5	68.9	0	0	0	110.5	L27 I52 K54 L55 F64 F281 V297 L301	L27-L299 HydrophobicContact CB-CB 4.12Å; L27-L299 HydrophobicContact CD1-CB 4.24Å; L27-L299 HydrophobicContact CD1-CD2 3.99Å; L27-L299 HydrophobicContact CG-CB 4.4Å; L27-L299 PolarHBondContact N-O 3.33Å; L27-L299 PolarHBondContact O-N 2.84Å; I52-L299 HydrophobicContact CG2-CD1 4Å; K54-L299 CarbonylContact O-C 3.6Å; K54-L299 VanDerWaalsContact O-CA 3.25Å; K54-L299 WeakPolarHBondContact O-CA 3.09Å; L55-L299 HydrophobicContact CB-CD1 4Å; L55-L299 HydrophobicContact CD1-CB 4.36Å; L55-L299 HydrophobicContact CD1-CD1 3.72Å; L55-L299 HydrophobicContact CG-CD1 4.36Å; F64-L299 HydrophobicContact CE1-CD2 4.31Å; F64-L299 HydrophobicContact CZ-CD1 4.37Å; F64-L299 HydrophobicContact CZ-CD2 4.16Å; F281-L299 HydrophobicContact CB-CD2 4.34Å; F281-L299 HydrophobicContact CD1-CD2 4.41Å; F281-L299 HydrophobicContact CD2-CD2 3.55Å; F281-L299 HydrophobicContact CE2-CD2 3.85Å; F281-L299 HydrophobicContact CG-CD2 3.85Å; F281-L299 HydrophobicContact CZ-CD2 4.44Å; V297-L299 HydrophobicContact CG1-CB 4.49Å; L299-L301 HydrophobicContact CD1-CD2 3.73Å; L299-L301 HydrophobicContact CD1-CG 4.1Å; L299-L301 HydrophobicContact CD2-CD1 3.87Å; L299-L301 HydrophobicContact CD2-CD2 4.13Å; L299-L301 HydrophobicContact CD2-CG 3.8Å; L299-L301 HydrophobicContact CG-CD1 4.47Å; L299-L301 HydrophobicContact CG-CD2 4.05Å; L299-L301 HydrophobicContact CG-CG 3.84Å
300	T	90.4	Very high	83.6	Confident	22 Å²	22	53.6 Å²	53.6	14%	0.135	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.9	167.6	-60.8	0	0	0	0	108.9	I24 L25 N26 Q53 K54	I24-T300 HydrophobicContact CG2-CG2 3.74Å; L25-T300 CarbonylContact O-C 3.6Å; L25-T300 VanDerWaalsContact O-CA 3.31Å; L25-T300 WeakPolarHBondContact O-CA 3.4Å; N26-T300 WeakPolarHBondContact OD1-CB 3.27Å; N26-T300 WeakPolarHBondContact OD1-CG2 3.43Å; N26-T300 PolarHBondContact OD1-OG1 3.49Å; Q53-T300 HydrophobicContact CB-CG2 4.03Å; Q53-T300 PolarHBondContact N-O 3.43Å; Q53-T300 VanDerWaalsContact OE1-CG2 3.3Å; K54-T300 PolarHBondContact N-O 3.08Å; K54-T300 PolarHBondContact O-N 2.82Å
301	L	88.4	Confident	84.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129	173.2	-59.8	177.5	0	0	0	109.2	I24 L25 C37 V50 F51 I52 F64 L299 M303	I24-L301 CarbonylContact C-O 3.58Å; I24-L301 WeakPolarHBondContact CA-O 3.42Å; L25-L301 HydrophobicContact CB-CB 4.28Å; L25-L301 HydrophobicContact CD2-CD1 4.27Å; L25-L301 PolarHBondContact N-O 2.81Å; L25-L301 PolarHBondContact O-N 2.72Å; C37-L301 HydrophobicContact CB-CD1 3.89Å; C37-L301 VanDerWaalsContact SG-CD1 3.56Å; V50-L301 HydrophobicContact CG1-CD2 4.25Å; F51-L301 CarbonylContact O-C 3.48Å; F51-L301 WeakPolarHBondContact O-CA 3.4Å; I52-L301 HydrophobicContact CB-CD2 4.24Å; I52-L301 HydrophobicContact CG1-CD2 3.7Å; I52-L301 HydrophobicContact CG2-CD2 4.37Å; F64-L301 HydrophobicContact CE1-CD1 4.02Å; F64-L301 HydrophobicContact CE1-CD2 4.27Å; F64-L301 HydrophobicContact CZ-CD2 4.17Å; L299-L301 HydrophobicContact CD1-CD2 3.73Å; L299-L301 HydrophobicContact CD1-CG 4.1Å; L299-L301 HydrophobicContact CD2-CD1 3.87Å; L299-L301 HydrophobicContact CD2-CD2 4.13Å; L299-L301 HydrophobicContact CD2-CG 3.8Å; L299-L301 HydrophobicContact CG-CD1 4.47Å; L299-L301 HydrophobicContact CG-CD2 4.05Å; L299-L301 HydrophobicContact CG-CG 3.84Å; L301-M303 HydrophobicContact CB-CE 4.06Å; L301-M303 HydrophobicContact CB-CG 4.4Å; L301-M303 HydrophobicContact CD1-CE 4.33Å; L301-M303 HydrophobicContact CD1-SD 4.39Å
302	K	86.8	Confident	85.2	Confident	66 Å²	66	41.9 Å²	41.9	29%	0.287	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.2	161.7	175.5	179	-177.2	-179.1	0	107.9	H23 I24 F51 Q53	H23-K302 CarbonylContact O-C 2.97Å; H23-K302 WeakPolarHBondContact O-CA 3.41Å; I24-K302 HydrophobicContact CG1-CB 4.16Å; I24-K302 HydrophobicContact CG1-CG 4.13Å; F51-K302 HydrophobicContact CB-CB 4.12Å; F51-K302 HydrophobicContact CD2-CB 4.45Å; F51-K302 HydrophobicContact CD2-CG 4.31Å; F51-K302 WeakPolarHBondContact CD2-O 3.41Å; F51-K302 PolarHBondContact N-O 3.16Å; F51-K302 PolarHBondContact O-N 3.06Å; Q53-K302 HydrophobicContact CG-CB 4.47Å
303	M	87	Confident	86.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144	-175.9	-67.6	171.7	-77.6	0	0	110.8	K22 H23 L25 C37 S49 V50 L279 L301	K22-M303 CarbonylContact C-O 3.48Å; K22-M303 WeakPolarHBondContact CA-O 3.36Å; H23-M303 WeakPolarHBondContact CD2-CE 3.16Å; H23-M303 PolarHBondContact N-O 2.88Å; H23-M303 VanDerWaalsContact N-O 3.13Å; H23-M303 WeakPolarHBondContact NE2-CE 3.27Å; H23-M303 PolarHBondContact O-N 2.82Å; L25-M303 HydrophobicContact CB-CE 3.91Å; C37-M303 HydrophobicContact CB-CE 4.17Å; C37-M303 HydrophobicContact CB-SD 4.02Å; C37-M303 WeakPolarHBondContact O-CE 3.43Å; S49-M303 CarbonylContact O-C 3.52Å; S49-M303 VanDerWaalsContact O-CA 3.26Å; S49-M303 WeakPolarHBondContact O-CA 3.46Å; V50-M303 HydrophobicContact CG1-CG 4.19Å; V50-M303 HydrophobicContact CG2-CG 4.25Å; L279-M303 HydrophobicContact CD2-SD 3.97Å; L301-M303 HydrophobicContact CB-CE 4.06Å; L301-M303 HydrophobicContact CB-CG 4.4Å; L301-M303 HydrophobicContact CD1-CE 4.33Å; L301-M303 HydrophobicContact CD1-SD 4.39Å
304	V	85.6	Confident	87	Confident	13 Å²	13	33.4 Å²	33.4	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113.7	175	-177.6	0	0	0	0	108.6	K22 F47 L48 S49 F51 Y311	K22-V304 HydrophobicContact CG-CG1 4.23Å; K22-V304 HydrophobicContact CG-CG2 4.22Å; F47-V304 HydrophobicContact CE2-CG1 4.37Å; L48-V304 WeakPolarHBondContact CA-O 3.42Å; S49-V304 PolarHBondContact N-O 3.44Å; S49-V304 PolarHBondContact O-N 3.5Å; F51-V304 HydrophobicContact CE2-CG2 4.31Å; V304-Y311 HydrophobicContact CG1-CE1 3.98Å
305	E	88.4	Confident	87.4	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.9	178	-60.5	165.2	149.3	0	0	109	H23 S38 F40 F42 L48 Y311	H23-E305 IonicContact CE1-OE1 2.75Å; H23-E305 IonicContact CE1-OE2 2.83Å; S38-E305 WeakPolarHBondContact CB-OE1 3.36Å; S38-E305 PolarHBondContact OG-OE1 3.32Å; F40-E305 HydrophobicContact CB-CB 4.46Å; F40-E305 HydrophobicContact CB-CG 4.19Å; F40-E305 WeakPolarHBondContact CB-OE1 3.32Å; F40-E305 HydrophobicContact CD1-CB 4.11Å; F40-E305 HydrophobicContact CD2-CB 3.59Å; F40-E305 HydrophobicContact CD2-CG 4.04Å; F40-E305 VanDerWaalsContact CD2-OE2 3.22Å; F40-E305 WeakPolarHBondContact CD2-OE2 3.34Å; F40-E305 HydrophobicContact CE1-CB 4.15Å; F40-E305 HydrophobicContact CE2-CB 3.64Å; F40-E305 HydrophobicContact CG-CB 3.81Å; F40-E305 HydrophobicContact CG-CG 4.08Å; F40-E305 HydrophobicContact CZ-CB 3.92Å; F42-E305 HydrophobicContact CE1-CB 4.43Å; F42-E305 HydrophobicContact CZ-CB 4.4Å; F42-E305 HydrophobicContact CZ-CG 4.26Å; L48-E305 HydrophobicContact CD1-CG 3.77Å; E305-Y311 WeakPolarHBondContact O-CD1 3.22Å
306	K	86.5	Confident	87.9	Confident	62 Å²	62	27.9 Å²	27.9	27%	0.27	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	122.1	-177.2	-171.5	171.8	-174.7	172.5	0	112.1	S46 F47 Y311	S46-K306 WeakPolarHBondContact CA-O 3.24Å; S46-K306 VanDerWaalsContact CB-O 3.23Å; S46-K306 WeakPolarHBondContact CB-O 3.42Å; F47-K306 HydrophobicContact CD1-CB 4.27Å; F47-K306 HydrophobicContact CE1-CB 3.74Å; F47-K306 HydrophobicContact CE1-CD 3.75Å; F47-K306 HydrophobicContact CE1-CG 4.03Å; F47-K306 HydrophobicContact CE2-CB 4.17Å; F47-K306 HydrophobicContact CZ-CB 3.68Å; F47-K306 HydrophobicContact CZ-CD 3.7Å; F47-K306 HydrophobicContact CZ-CG 4.2Å; F47-K306 PolarHBondContact N-O 3.37Å; F47-K306 PolarHBondContact O-N 3.28Å; K306-Y311 HydrophobicContact CB-CD1 4.1Å; K306-Y311 HydrophobicContact CB-CE1 4.09Å; K306-Y311 HydrophobicContact CD-CD1 4.35Å; K306-Y311 HydrophobicContact CD-CE1 3.74Å; K306-Y311 HydrophobicContact CD-CE2 4.3Å; K306-Y311 HydrophobicContact CG-CD1 4.17Å; K306-Y311 HydrophobicContact CG-CE1 4.05Å; K306-Y311 PolarHBondContact NZ-OH 2.96Å
307	N	89.7	Confident	88.3	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.011	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-86.3	169.7	164.1	-78	-41.1	0	0	0	110.8	F40 G41 F42 A43 S46 N309 S310 L312 A314	F40-N307 VanDerWaalsContact CE1-ND2 3.27Å; F40-N307 WeakPolarHBondContact CE1-ND2 3.41Å; G41-N307 PolarHBondContact O-ND2 3.31Å; F42-N307 WeakPolarHBondContact CA-OD1 3.35Å; A43-N307 PolarHBondContact N-OD1 3.36Å; S46-N307 WeakPolarHBondContact CB-OD1 3.5Å; N307-N309 PolarHBondContact O-N 2.82Å; N307-S310 CarbonylContact C-O 3.52Å; N307-S310 WeakPolarHBondContact CA-O 3.49Å; N307-S310 WeakPolarHBondContact CB-O 3.18Å; N307-S310 PolarHBondContact N-O 3.5Å; N307-S310 PolarHBondContact O-N 3.44Å; N307-S310 VanDerWaalsContact O-N 3.13Å; N307-L312 PolarHBondContact ND2-O 3.41Å; N307-A314 PolarHBondContact ND2-N 2.72Å
308	V	83.1	Confident	88.7	Confident	72 Å²	72	31.1 Å²	31.1	44%	0.436	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	116.8	175.5	-179.7	0	0	0	0	109.5	K44 D45 S310	K44-V308 WeakPolarHBondContact O-CG2 3.23Å; D45-V308 HydrophobicContact CB-CG2 3.67Å; V308-S310 PolarHBondContact O-N 2.84Å; V308-S310 VanDerWaalsContact O-N 3.09Å
309	N	82.6	Confident	88.9	Confident	152 Å²	152	29.7 Å²	29.7	81%	0.813	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	13	179.6	-53.8	-32.9	0	0	0	116.3	N307	N307-N309 PolarHBondContact O-N 2.82Å
310	S	88.7	Confident	89.1	Confident	18 Å²	18	30.3 Å²	30.3	13%	0.126	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-154.1	139.6	179.3	-175.2	0	0	0	0	113.1	N307 V308 L312 G377	N307-S310 CarbonylContact C-O 3.52Å; N307-S310 WeakPolarHBondContact CA-O 3.49Å; N307-S310 WeakPolarHBondContact CB-O 3.18Å; N307-S310 PolarHBondContact N-O 3.5Å; N307-S310 PolarHBondContact O-N 3.44Å; N307-S310 VanDerWaalsContact O-N 3.13Å; V308-S310 PolarHBondContact O-N 2.84Å; V308-S310 VanDerWaalsContact O-N 3.09Å; S310-L312 VanDerWaalsContact C-N 3.26Å; S310-L312 WeakPolarHBondContact OG-CB 3.43Å; S310-L312 PolarHBondContact OG-N 3.32Å; S310-L312 VanDerWaalsContact OG-N 3.11Å; S310-G377 WeakPolarHBondContact CA-O 3.27Å
311	Y	89.6	Confident	89.3	Confident	17 Å²	17	33.5 Å²	33.5	7%	0.067	18%	0.182	C	C	.	.	S	Bend	trans	-84.5	3.5	170	-66.6	-89.5	0	0	0	113	R21 K22 F40 V304 E305 K306 G377 K378 G380	R21-Y311 WeakPolarHBondContact CG-O 3.24Å; K22-Y311 HydrophobicContact CG-CE1 4.46Å; F40-Y311 WeakPolarHBondContact CE2-O 3.29Å; V304-Y311 HydrophobicContact CG1-CE1 3.98Å; E305-Y311 WeakPolarHBondContact O-CD1 3.22Å; K306-Y311 HydrophobicContact CB-CD1 4.1Å; K306-Y311 HydrophobicContact CB-CE1 4.09Å; K306-Y311 HydrophobicContact CD-CD1 4.35Å; K306-Y311 HydrophobicContact CD-CE1 3.74Å; K306-Y311 HydrophobicContact CD-CE2 4.3Å; K306-Y311 HydrophobicContact CG-CD1 4.17Å; K306-Y311 HydrophobicContact CG-CE1 4.05Å; K306-Y311 PolarHBondContact NZ-OH 2.96Å; Y311-G377 WeakPolarHBondContact CD2-O 3.47Å; Y311-G377 PolarHBondContact N-O 3.17Å; Y311-K378 WeakPolarHBondContact CD2-O 3.12Å; Y311-K378 WeakPolarHBondContact CE2-O 3.39Å; Y311-G380 VanDerWaalsContact CD2-N 3.28Å
312	L	91.2	Very high	89.7	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.186	C	C	.	.	S	Bend	trans	-82.4	141.7	173.5	-64.6	176	0	0	0	111.3	F40 N307 S310 Q316 Q317 P320 Y373 I376	F40-L312 WeakPolarHBondContact CZ-O 3.28Å; N307-L312 PolarHBondContact ND2-O 3.41Å; S310-L312 VanDerWaalsContact C-N 3.26Å; S310-L312 WeakPolarHBondContact OG-CB 3.43Å; S310-L312 PolarHBondContact OG-N 3.32Å; S310-L312 VanDerWaalsContact OG-N 3.11Å; L312-Q316 HydrophobicContact CB-CB 4.27Å; L312-Q317 HydrophobicContact CB-CG 4.21Å; L312-P320 HydrophobicContact CD1-CG 4.04Å; L312-Y373 HydrophobicContact CD1-CD1 4.25Å; L312-Y373 HydrophobicContact CD2-CD1 3.71Å; L312-Y373 HydrophobicContact CD2-CE1 4.15Å; L312-I376 HydrophobicContact CD2-CB 4.32Å; L312-I376 HydrophobicContact CD2-CG2 3.8Å
313	S	91.2	Very high	90.1	Very high	12 Å²	12	31.3 Å²	31.3	8%	0.084	17%	0.173	C	C	.	.			trans	-54.8	146.5	168.2	175	0	0	0	0	109.9	F40 G41 G315 Q316 Q317	F40-S313 VanDerWaalsContact CE2-CA 3.5Å; F40-S313 VanDerWaalsContact CZ-CA 3.48Å; F40-S313 VanDerWaalsContact CZ-N 3.34Å; G41-S313 WeakPolarHBondContact CA-OG 3.22Å; G41-S313 PolarHBondContact N-OG 3.39Å; S313-G315 VanDerWaalsContact C-N 3.25Å; S313-G315 PolarHBondContact O-N 2.9Å; S313-G315 VanDerWaalsContact O-N 3.14Å; S313-Q316 WeakPolarHBondContact O-CA 2.91Å; S313-Q316 WeakPolarHBondContact O-CB 3.5Å; S313-Q316 PolarHBondContact O-N 3.46Å; S313-Q317 PolarHBondContact O-N 2.97Å; S313-Q317 VanDerWaalsContact O-N 3.17Å
314	A	90.3	Very high	90.6	Very high	18 Å²	18	33.1 Å²	33.1	15%	0.149	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-50	-44.9	-174.1	0	0	0	0	0	112.8	G41 N307 Q316 Q317 Y530	G41-A314 WeakPolarHBondContact O-CB 3.02Å; G41-A314 PolarHBondContact O-N 3.13Å; N307-A314 PolarHBondContact ND2-N 2.72Å; A314-Q316 VanDerWaalsContact C-N 3.25Å; A314-Q316 PolarHBondContact O-N 2.94Å; A314-Q317 PolarHBondContact O-N 2.82Å; A314-Y530 HydrophobicContact CB-CD2 4.41Å; A314-Y530 HydrophobicContact CB-CE2 3.98Å
315	G	88.3	Confident	91.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-72.5	-11.2	178.1	0	0	0	0	0	115.7	S313 Y530 S533 W534	S313-G315 VanDerWaalsContact C-N 3.25Å; S313-G315 PolarHBondContact O-N 2.9Å; S313-G315 VanDerWaalsContact O-N 3.14Å; G315-Y530 WeakPolarHBondContact CA-O 3.38Å; G315-S533 VanDerWaalsContact CA-OG 3.25Å; G315-S533 WeakPolarHBondContact CA-OG 3.42Å; G315-S533 PolarHBondContact O-OG 3.31Å; G315-W534 VanDerWaalsContact O-CB 3.31Å; G315-W534 WeakPolarHBondContact O-CB 3.46Å; G315-W534 PolarHBondContact O-N 2.83Å
316	Q	91.1	Very high	91.5	Very high	36 Å²	36	38.5 Å²	38.5	17%	0.168	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-101.1	-14.9	179.1	-66.5	-170.8	-33.8	0	0	113.3	L312 S313 A314 P318 L319	L312-Q316 HydrophobicContact CB-CB 4.27Å; S313-Q316 WeakPolarHBondContact O-CA 2.91Å; S313-Q316 WeakPolarHBondContact O-CB 3.5Å; S313-Q316 PolarHBondContact O-N 3.46Å; A314-Q316 VanDerWaalsContact C-N 3.25Å; A314-Q316 PolarHBondContact O-N 2.94Å; Q316-P318 VanDerWaalsContact C-N 3.32Å; Q316-L319 HydrophobicContact CB-CD1 3.76Å; Q316-L319 HydrophobicContact CB-CG 4.41Å; Q316-L319 HydrophobicContact CG-CD1 3.82Å; Q316-L319 VanDerWaalsContact O-CB 3.24Å; Q316-L319 WeakPolarHBondContact O-CB 3.06Å; Q316-L319 WeakPolarHBondContact O-CG 3.17Å; Q316-L319 PolarHBondContact O-N 3.48Å
317	Q	90.9	Very high	92	Very high	79 Å²	79	36.6 Å²	36.6	37%	0.369	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.5	-179.2	-68.1	-174.3	-5.8	0	0	115.1	L312 S313 A314 L319 P320	L312-Q317 HydrophobicContact CB-CG 4.21Å; S313-Q317 PolarHBondContact O-N 2.97Å; S313-Q317 VanDerWaalsContact O-N 3.17Å; A314-Q317 PolarHBondContact O-N 2.82Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.11Å; Q317-P320 WeakPolarHBondContact O-CD 3.38Å
318	P	93.4	Very high	92.4	Very high	43 Å²	43	41 Å²	41	28%	0.279	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.8	179	32.3	-35.1	0	0	0	114.2	Q316 T321 L322 W534	Q316-P318 VanDerWaalsContact C-N 3.32Å; P318-T321 PolarHBondContact O-N 2.97Å; P318-L322 WeakPolarHBondContact O-CB 3.3Å; P318-L322 PolarHBondContact O-N 2.93Å; P318-W534 HydrophobicContact CB-CG 4.42Å; P318-W534 HydrophobicContact CG-CB 3.59Å; P318-W534 HydrophobicContact CG-CD2 3.75Å; P318-W534 HydrophobicContact CG-CE3 4.49Å; P318-W534 HydrophobicContact CG-CG 3.28Å
319	L	93.2	Very high	93	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-42.8	-177.7	-67.9	177.1	0	0	0	114.8	Q316 Q317 T321 L322 Y323 Y373 W534 E537	Q316-L319 HydrophobicContact CB-CD1 3.76Å; Q316-L319 HydrophobicContact CB-CG 4.41Å; Q316-L319 HydrophobicContact CG-CD1 3.82Å; Q316-L319 VanDerWaalsContact O-CB 3.24Å; Q316-L319 WeakPolarHBondContact O-CB 3.06Å; Q316-L319 WeakPolarHBondContact O-CG 3.17Å; Q316-L319 PolarHBondContact O-N 3.48Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.11Å; L319-T321 VanDerWaalsContact C-N 3.28Å; L319-T321 PolarHBondContact O-N 3.44Å; L319-L322 PolarHBondContact O-N 2.94Å; L319-Y323 HydrophobicContact CB-CD2 4.24Å; L319-Y323 HydrophobicContact CB-CE2 3.96Å; L319-Y323 HydrophobicContact CD2-CE2 4.2Å; L319-Y323 HydrophobicContact CG-CE2 4.48Å; L319-Y323 WeakPolarHBondContact O-CD2 3.29Å; L319-Y323 PolarHBondContact O-N 2.8Å; L319-Y373 HydrophobicContact CB-CD1 4.37Å; L319-Y373 HydrophobicContact CB-CD2 4.48Å; L319-Y373 HydrophobicContact CB-CG 4.32Å; L319-Y373 HydrophobicContact CD1-CD1 4.26Å; L319-Y373 HydrophobicContact CD1-CE1 3.72Å; L319-Y373 HydrophobicContact CD1-CE2 4.15Å; L319-W534 HydrophobicContact CD2-CB 3.99Å; L319-W534 HydrophobicContact CG-CB 4.49Å; L319-E537 HydrophobicContact CD2-CB 3.98Å; L319-E537 HydrophobicContact CD2-CG 4.03Å
320	P	94.3	Very high	93.7	Very high	15 Å²	15	32.1 Å²	32.1	10%	0.097	19%	0.189	C	C	.	.	H	α-helix	trans	-53.7	-46.8	175.9	-18.6	24.2	0	0	0	112	L312 Q317 A324 S370	L312-P320 HydrophobicContact CD1-CG 4.04Å; Q317-P320 WeakPolarHBondContact O-CD 3.38Å; P320-A324 WeakPolarHBondContact O-CB 3.33Å; P320-A324 PolarHBondContact O-N 3.3Å; P320-S370 WeakPolarHBondContact O-CB 3.24Å; P320-S370 PolarHBondContact O-OG 3.11Å
321	T	95	Very high	94.2	Very high	89 Å²	89	35 Å²	35	55%	0.546	20%	0.202	S	C	.	.	H	α-helix	trans	-68.3	-43.2	179.7	-53.2	0	0	0	0	111.7	P318 L319 Y323 A324 I325	P318-T321 PolarHBondContact O-N 2.97Å; L319-T321 VanDerWaalsContact C-N 3.28Å; L319-T321 PolarHBondContact O-N 3.44Å; T321-Y323 PolarHBondContact O-N 2.89Å; T321-A324 WeakPolarHBondContact O-CB 3.36Å; T321-A324 PolarHBondContact O-N 2.86Å; T321-I325 HydrophobicContact CG2-CD1 3.97Å; T321-I325 WeakPolarHBondContact O-CG1 3.46Å; T321-I325 PolarHBondContact O-N 2.9Å
322	L	96.1	Very high	94.5	Very high	15 Å²	15	41 Å²	41	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-51.2	176.8	-177.9	156.5	0	0	0	110.9	P318 L319 A324 I325 S326 W534 L538	P318-L322 WeakPolarHBondContact O-CB 3.3Å; P318-L322 PolarHBondContact O-N 2.93Å; L319-L322 PolarHBondContact O-N 2.94Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 3.05Å; L322-I325 PolarHBondContact O-N 2.64Å; L322-S326 PolarHBondContact O-N 2.64Å; L322-S326 PolarHBondContact O-OG 3.25Å; L322-S326 VanDerWaalsContact O-OG 3.1Å; L322-W534 HydrophobicContact CD1-CE3 4.04Å; L322-L538 HydrophobicContact CD1-CB 3.74Å; L322-L538 HydrophobicContact CD1-CD1 4.17Å; L322-L538 HydrophobicContact CG-CD1 4.46Å
323	Y	96.8	Very high	94.7	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.02	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-31.6	179.5	-66.3	-45.1	0	0	0	112.8	L319 T321 C327 L366 H369 Y373 E537	L319-Y323 HydrophobicContact CB-CD2 4.24Å; L319-Y323 HydrophobicContact CB-CE2 3.96Å; L319-Y323 HydrophobicContact CD2-CE2 4.2Å; L319-Y323 HydrophobicContact CG-CE2 4.48Å; L319-Y323 WeakPolarHBondContact O-CD2 3.29Å; L319-Y323 PolarHBondContact O-N 2.8Å; T321-Y323 PolarHBondContact O-N 2.89Å; Y323-C327 WeakPolarHBondContact O-CB 3.22Å; Y323-C327 PolarHBondContact O-N 2.99Å; Y323-L366 HydrophobicContact CD1-CD2 3.67Å; Y323-L366 HydrophobicContact CE1-CD2 4.23Å; Y323-L366 HydrophobicContact CG-CD2 4.47Å; Y323-H369 AromaticContact CD1-ND1 3.98Å; Y323-H369 HydrophobicContact CD2-CB 4.32Å; Y323-H369 AromaticContact CD2-CG 3.84Å; Y323-H369 AromaticContact CD2-ND1 3.56Å; Y323-H369 AromaticContact CE1-ND1 3.66Å; Y323-H369 AromaticContact CE2-CE1 3.35Å; Y323-H369 WeakPolarHBondContact CE2-CE1 3.1Å; Y323-H369 AromaticContact CE2-CG 3.84Å; Y323-H369 AromaticContact CE2-ND1 3.22Å; Y323-H369 WeakPolarHBondContact CE2-ND1 3.33Å; Y323-H369 AromaticContact CE2-NE2 3.98Å; Y323-H369 HydrophobicContact CG-CB 4.46Å; Y323-H369 AromaticContact CG-ND1 3.93Å; Y323-H369 AromaticContact CZ-CE1 3.34Å; Y323-H369 AromaticContact CZ-ND1 3.27Å; Y323-H369 VanDerWaalsContact CZ-ND1 3.27Å; Y323-H369 PolarHBondContact OH-CE1 3.29Å; Y323-H369 VanDerWaalsContact OH-CE1 3.31Å; Y323-Y373 HydrophobicContact CD2-CD2 4.04Å; Y323-Y373 AromaticContact CE2-CD2 3.71Å; Y323-Y373 HydrophobicContact CE2-CD2 3.71Å; Y323-Y373 AromaticContact CE2-CE2 3.74Å; Y323-Y373 HydrophobicContact CE2-CE2 3.74Å; Y323-E537 PolarHBondContact OH-OE2 2.94Å
324	A	96.6	Very high	95	Very high	38 Å²	38	41.9 Å²	41.9	31%	0.314	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-46.5	172.4	0	0	0	0	0	111.8	P320 T321 L322 C327 L328	P320-A324 WeakPolarHBondContact O-CB 3.33Å; P320-A324 PolarHBondContact O-N 3.3Å; T321-A324 WeakPolarHBondContact O-CB 3.36Å; T321-A324 PolarHBondContact O-N 2.86Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 3.05Å; A324-C327 WeakPolarHBondContact O-CB 3.33Å; A324-C327 PolarHBondContact O-N 2.95Å; A324-L328 WeakPolarHBondContact O-CG 3.48Å; A324-L328 PolarHBondContact O-N 3.5Å; A324-L328 VanDerWaalsContact O-N 3.09Å
325	I	96.8	Very high	95.3	Very high	111 Å²	111	45.2 Å²	45.2	57%	0.569	25%	0.248	S	C	*	.	H	α-helix	trans	-63.3	-45.5	177.1	-66.5	168.2	0	0	0	110.2	T321 L322 C327 L328 A329	T321-I325 HydrophobicContact CG2-CD1 3.97Å; T321-I325 WeakPolarHBondContact O-CG1 3.46Å; T321-I325 PolarHBondContact O-N 2.9Å; L322-I325 PolarHBondContact O-N 2.64Å; I325-C327 PolarHBondContact O-N 3.49Å; I325-L328 PolarHBondContact O-N 2.98Å; I325-A329 PolarHBondContact O-N 2.92Å
326	S	96.1	Very high	95.7	Very high	16 Å²	16	51.6 Å²	51.6	11%	0.112	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-41.4	176	-59.5	0	0	0	0	111.9	L322 L328 A329 Y330	L322-S326 PolarHBondContact O-N 2.64Å; L322-S326 PolarHBondContact O-OG 3.25Å; L322-S326 VanDerWaalsContact O-OG 3.1Å; S326-L328 VanDerWaalsContact C-N 3.32Å; S326-L328 PolarHBondContact O-N 3.24Å; S326-A329 PolarHBondContact O-N 2.83Å; S326-A329 VanDerWaalsContact O-N 3.17Å; S326-Y330 WeakPolarHBondContact O-CD2 3.43Å; S326-Y330 PolarHBondContact O-N 3.1Å
327	C	97.7	Very high	95.9	Very high	23 Å²	23	51 Å²	51	16%	0.155	27%	0.272	C	S	.	.	H	α-helix	trans	-54.4	-48.3	174.9	173.4	0	0	0	0	111.4	Y323 A324 I325 Y330 L331 S363 L366	Y323-C327 WeakPolarHBondContact O-CB 3.22Å; Y323-C327 PolarHBondContact O-N 2.99Å; A324-C327 WeakPolarHBondContact O-CB 3.33Å; A324-C327 PolarHBondContact O-N 2.95Å; I325-C327 PolarHBondContact O-N 3.49Å; C327-Y330 PolarHBondContact O-N 3.08Å; C327-L331 WeakPolarHBondContact O-CB 3.2Å; C327-L331 PolarHBondContact O-N 3.36Å; C327-S363 PolarHBondContact O-OG 3.48Å; C327-S363 PolarHBondContact SG-O 2.94Å; C327-L366 HydrophobicContact CB-CB 3.95Å
328	L	97.5	Very high	96.1	Very high	94 Å²	94	51.4 Å²	51.4	49%	0.492	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-43.7	176.1	-66.4	174.4	0	0	0	111.8	A324 I325 S326 Y330 L331 F332	A324-L328 WeakPolarHBondContact O-CG 3.48Å; A324-L328 PolarHBondContact O-N 3.5Å; A324-L328 VanDerWaalsContact O-N 3.09Å; I325-L328 PolarHBondContact O-N 2.98Å; S326-L328 VanDerWaalsContact C-N 3.32Å; S326-L328 PolarHBondContact O-N 3.24Å; L328-Y330 PolarHBondContact O-N 3.35Å; L328-L331 WeakPolarHBondContact O-CB 3.06Å; L328-L331 PolarHBondContact O-N 3.37Å; L328-L331 VanDerWaalsContact O-N 3.16Å; L328-F332 HydrophobicContact CB-CE2 4.28Å; L328-F332 WeakPolarHBondContact O-CD2 3.42Å; L328-F332 PolarHBondContact O-N 2.9Å
329	A	96.8	Very high	96.2	Very high	36 Å²	36	52.2 Å²	52.2	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-45.3	178	0	0	0	0	0	112.5	I325 S326 L331 F332 L333 F545	I325-A329 PolarHBondContact O-N 2.92Å; S326-A329 PolarHBondContact O-N 2.83Å; S326-A329 VanDerWaalsContact O-N 3.17Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-F332 PolarHBondContact O-N 3.14Å; A329-L333 PolarHBondContact O-N 3.02Å; A329-F545 HydrophobicContact CB-CE2 4.15Å
330	Y	97.4	Very high	96.2	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-70.7	-29.6	175.4	-76.7	-75.1	0	0	0	112.7	S326 C327 L328 L333 S334 K362 L366 E541 F545 F548	S326-Y330 WeakPolarHBondContact O-CD2 3.43Å; S326-Y330 PolarHBondContact O-N 3.1Å; C327-Y330 PolarHBondContact O-N 3.08Å; L328-Y330 PolarHBondContact O-N 3.35Å; Y330-L333 HydrophobicContact CD1-CD2 4.33Å; Y330-S334 WeakPolarHBondContact O-CB 3.39Å; Y330-S334 PolarHBondContact O-N 2.78Å; Y330-S334 PolarHBondContact O-OG 2.87Å; Y330-K362 HydrophobicContact CD1-CB 4.48Å; Y330-K362 HydrophobicContact CD1-CG 3.84Å; Y330-K362 HydrophobicContact CD2-CG 3.93Å; Y330-K362 HydrophobicContact CE1-CG 3.87Å; Y330-K362 HydrophobicContact CE2-CG 3.96Å; Y330-K362 HydrophobicContact CG-CG 3.87Å; Y330-L366 HydrophobicContact CD2-CD1 3.32Å; Y330-L366 HydrophobicContact CE2-CD1 3.6Å; Y330-L366 HydrophobicContact CG-CD1 4.36Å; Y330-E541 PolarHBondContact OH-O 3.16Å; Y330-F545 HydrophobicContact CD1-CD2 4.12Å; Y330-F545 HydrophobicContact CE1-CB 4.49Å; Y330-F545 AromaticContact CE1-CD2 3.75Å; Y330-F545 HydrophobicContact CE1-CD2 3.75Å; Y330-F545 HydrophobicContact CE2-CD2 4.25Å; Y330-F545 AromaticContact CZ-CD2 3.84Å; Y330-F545 WeakPolarHBondContact OH-CA 3.49Å; Y330-F545 PolarHBondContact OH-N 3.44Å; Y330-F545 VanDerWaalsContact OH-N 3.14Å; Y330-F548 HydrophobicContact CD1-CD2 4.06Å; Y330-F548 HydrophobicContact CD1-CE2 4.36Å; Y330-F548 AromaticContact CE1-CD2 3.47Å; Y330-F548 HydrophobicContact CE1-CD2 3.47Å; Y330-F548 VanDerWaalsContact CE1-CD2 3.47Å; Y330-F548 AromaticContact CE1-CE2 3.79Å; Y330-F548 HydrophobicContact CE1-CE2 3.79Å; Y330-F548 HydrophobicContact CE1-CG 4.46Å
331	L	97.3	Very high	96.1	Very high	77 Å²	77	55.3 Å²	55.3	40%	0.403	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-47.5	172.4	-174.7	62.1	0	0	0	110.6	C327 L328 A329 L333 S334 I335 S363	C327-L331 WeakPolarHBondContact O-CB 3.2Å; C327-L331 PolarHBondContact O-N 3.36Å; L328-L331 WeakPolarHBondContact O-CB 3.06Å; L328-L331 PolarHBondContact O-N 3.37Å; L328-L331 VanDerWaalsContact O-N 3.16Å; A329-L331 VanDerWaalsContact C-N 3.35Å; L331-L333 PolarHBondContact O-N 3.49Å; L331-S334 WeakPolarHBondContact O-CB 3.21Å; L331-S334 PolarHBondContact O-N 3.21Å; L331-I335 HydrophobicContact CD1-CD1 4.37Å; L331-I335 HydrophobicContact CG-CD1 4.02Å; L331-I335 WeakPolarHBondContact O-CG1 3.35Å; L331-I335 PolarHBondContact O-N 2.75Å; L331-S363 WeakPolarHBondContact CB-OG 3.22Å
332	F	96.8	Very high	95.9	Very high	143 Å²	143	59.3 Å²	59.3	63%	0.627	29%	0.292	S	S	*	.	H	α-helix	trans	-60.4	-44.1	175	-74.1	-61.1	0	0	0	112	L328 A329 S334 I335 F336	L328-F332 HydrophobicContact CB-CE2 4.28Å; L328-F332 WeakPolarHBondContact O-CD2 3.42Å; L328-F332 PolarHBondContact O-N 2.9Å; A329-F332 PolarHBondContact O-N 3.14Å; F332-S334 VanDerWaalsContact C-N 3.3Å; F332-S334 PolarHBondContact O-N 2.8Å; F332-I335 PolarHBondContact O-N 3.03Å; F332-F336 VanDerWaalsContact O-CB 3.3Å; F332-F336 WeakPolarHBondContact O-CB 3.47Å; F332-F336 PolarHBondContact O-N 3.23Å
333	L	96.3	Very high	95.7	Very high	31 Å²	31	66.7 Å²	66.7	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-59.4	-41.7	175.1	-176.7	62.6	0	0	0	111.6	A329 Y330 L331 F336 W337 T359 F545 F548 I549	A329-L333 PolarHBondContact O-N 3.02Å; Y330-L333 HydrophobicContact CD1-CD2 4.33Å; L331-L333 PolarHBondContact O-N 3.49Å; L333-F336 PolarHBondContact O-N 2.69Å; L333-W337 VanDerWaalsContact O-CB 3.3Å; L333-W337 WeakPolarHBondContact O-CB 3.3Å; L333-W337 PolarHBondContact O-N 3.46Å; L333-T359 HydrophobicContact CD2-CG2 4.26Å; L333-F545 HydrophobicContact CB-CE2 4.43Å; L333-F545 HydrophobicContact CD2-CD2 4.45Å; L333-F545 HydrophobicContact CD2-CE2 4.06Å; L333-F548 HydrophobicContact CD2-CB 4.28Å; L333-I549 HydrophobicContact CD1-CG1 4.3Å
334	S	96.6	Very high	95.2	Very high	4 Å²	4	67.8 Å²	67.8	3%	0.028	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-43.3	178.4	-59.3	0	0	0	0	112.4	Y330 L331 F332 W337 F338 L356 T359 V360	Y330-S334 WeakPolarHBondContact O-CB 3.39Å; Y330-S334 PolarHBondContact O-N 2.78Å; Y330-S334 PolarHBondContact O-OG 2.87Å; L331-S334 WeakPolarHBondContact O-CB 3.21Å; L331-S334 PolarHBondContact O-N 3.21Å; F332-S334 VanDerWaalsContact C-N 3.3Å; F332-S334 PolarHBondContact O-N 2.8Å; S334-W337 PolarHBondContact O-N 3.16Å; S334-F338 VanDerWaalsContact O-CB 3.29Å; S334-F338 WeakPolarHBondContact O-CB 3.43Å; S334-F338 PolarHBondContact O-N 3.45Å; S334-L356 VanDerWaalsContact O-CD1 3.24Å; S334-L356 WeakPolarHBondContact O-CD1 3.35Å; S334-T359 WeakPolarHBondContact OG-CB 3.48Å; S334-T359 PolarHBondContact OG-O 2.96Å; S334-T359 PolarHBondContact OG-OG1 3.46Å; S334-V360 PolarHBondContact OG-N 3.47Å
335	I	97.1	Very high	94.5	Very high	88 Å²	88	75.7 Å²	75.7	45%	0.451	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-46.8	175.9	-67.1	166	0	0	0	109.9	L331 F332 W337 F338 V339	L331-I335 HydrophobicContact CD1-CD1 4.37Å; L331-I335 HydrophobicContact CG-CD1 4.02Å; L331-I335 WeakPolarHBondContact O-CG1 3.35Å; L331-I335 PolarHBondContact O-N 2.75Å; F332-I335 PolarHBondContact O-N 3.03Å; I335-W337 PolarHBondContact O-N 2.95Å; I335-F338 PolarHBondContact O-N 2.9Å; I335-V339 HydrophobicContact CG2-CG2 4.41Å; I335-V339 WeakPolarHBondContact O-CB 2.82Å; I335-V339 VanDerWaalsContact O-CG2 3.3Å; I335-V339 WeakPolarHBondContact O-CG2 3.41Å; I335-V339 PolarHBondContact O-N 3.33Å
336	F	95.6	Very high	93.8	Very high	133 Å²	133	72.4 Å²	72.4	58%	0.583	34%	0.343	S	S	*	.	H	α-helix	trans	-57.9	-49.1	177.4	176.9	-96.1	0	0	0	111.3	F332 L333 V339 Y340	F332-F336 VanDerWaalsContact O-CB 3.3Å; F332-F336 WeakPolarHBondContact O-CB 3.47Å; F332-F336 PolarHBondContact O-N 3.23Å; L333-F336 PolarHBondContact O-N 2.69Å; F336-V339 PolarHBondContact O-N 2.95Å; F336-Y340 WeakPolarHBondContact O-CB 3.34Å; F336-Y340 PolarHBondContact O-N 3Å
337	W	95.4	Very high	92.9	Very high	25 Å²	25	75.1 Å²	75.1	10%	0.095	36%	0.362	C	S	.	.	H	α-helix	trans	-63.1	-44.3	178.5	-170.4	-114.5	0	0	0	111.8	L333 S334 I335 V339 Y340 L341 H352 M355 L356 G552 R556	L333-W337 VanDerWaalsContact O-CB 3.3Å; L333-W337 WeakPolarHBondContact O-CB 3.3Å; L333-W337 PolarHBondContact O-N 3.46Å; S334-W337 PolarHBondContact O-N 3.16Å; I335-W337 PolarHBondContact O-N 2.95Å; W337-V339 PolarHBondContact O-N 3.03Å; W337-Y340 HydrophobicContact CE3-CD1 4.48Å; W337-Y340 HydrophobicContact CZ3-CD1 4.33Å; W337-Y340 WeakPolarHBondContact O-CB 3.31Å; W337-Y340 PolarHBondContact O-N 3.25Å; W337-L341 HydrophobicContact CZ2-CD2 4.15Å; W337-L341 WeakPolarHBondContact O-CG 3.46Å; W337-L341 PolarHBondContact O-N 3.31Å; W337-H352 PolarHBondContact NE1-O 3.24Å; W337-M355 HydrophobicContact CZ2-SD 4.37Å; W337-L356 HydrophobicContact CB-CD1 4.41Å; W337-G552 VanDerWaalsContact CH2-O 3.22Å; W337-G552 WeakPolarHBondContact CH2-O 3.41Å; W337-G552 WeakPolarHBondContact CZ3-O 3.44Å; W337-R556 HydrophobicContact CH2-CB 4.37Å
338	F	95.4	Very high	92.2	Very high	86 Å²	86	76 Å²	76	38%	0.377	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-45.9	175.7	177.2	-107.1	0	0	0	112.4	S334 I335 Y340 L341 R342 L356	S334-F338 VanDerWaalsContact O-CB 3.29Å; S334-F338 WeakPolarHBondContact O-CB 3.43Å; S334-F338 PolarHBondContact O-N 3.45Å; I335-F338 PolarHBondContact O-N 2.9Å; F338-Y340 VanDerWaalsContact C-N 3.33Å; F338-Y340 PolarHBondContact O-N 3.4Å; F338-L341 PolarHBondContact O-N 3.43Å; F338-R342 HydrophobicContact CD1-CG 4.41Å; F338-R342 HydrophobicContact CD2-CG 4.38Å; F338-R342 HydrophobicContact CE1-CG 4.09Å; F338-R342 HydrophobicContact CE2-CG 4.07Å; F338-R342 HydrophobicContact CZ-CG 3.93Å; F338-R342 VanDerWaalsContact CZ-NE 3.35Å; F338-R342 WeakPolarHBondContact O-CB 3.41Å; F338-R342 VanDerWaalsContact O-CG 3.28Å; F338-R342 WeakPolarHBondContact O-CG 3.5Å; F338-R342 PolarHBondContact O-N 2.9Å; F338-L356 HydrophobicContact CB-CD1 3.99Å; F338-L356 HydrophobicContact CB-CD2 4.03Å; F338-L356 HydrophobicContact CD2-CD2 3.64Å; F338-L356 HydrophobicContact CG-CD2 4.3Å
339	V	95	Very high	91.4	Very high	61 Å²	61	76 Å²	76	37%	0.37	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-40.8	176.4	172.4	0	0	0	0	110.9	I335 F336 W337 R342 K343	I335-V339 HydrophobicContact CG2-CG2 4.41Å; I335-V339 WeakPolarHBondContact O-CB 2.82Å; I335-V339 VanDerWaalsContact O-CG2 3.3Å; I335-V339 WeakPolarHBondContact O-CG2 3.41Å; I335-V339 PolarHBondContact O-N 3.33Å; F336-V339 PolarHBondContact O-N 2.95Å; W337-V339 PolarHBondContact O-N 3.03Å; V339-R342 PolarHBondContact O-N 3.21Å; V339-K343 HydrophobicContact CG1-CD 3.99Å; V339-K343 HydrophobicContact CG1-CG 4.42Å; V339-K343 WeakPolarHBondContact O-CB 3.38Å; V339-K343 WeakPolarHBondContact O-CG 3.16Å; V339-K343 PolarHBondContact O-N 3.24Å
340	Y	93	Very high	90.8	Very high	79 Å²	79	85.1 Å²	85.1	31%	0.31	39%	0.387	S	S	.	.	H	α-helix	trans	-60.4	-47.8	175.9	-173.6	-92.1	0	0	0	111.6	F336 W337 F338 R342 K343 S344 R556 P557	F336-Y340 WeakPolarHBondContact O-CB 3.34Å; F336-Y340 PolarHBondContact O-N 3Å; W337-Y340 HydrophobicContact CE3-CD1 4.48Å; W337-Y340 HydrophobicContact CZ3-CD1 4.33Å; W337-Y340 WeakPolarHBondContact O-CB 3.31Å; W337-Y340 PolarHBondContact O-N 3.25Å; F338-Y340 VanDerWaalsContact C-N 3.33Å; F338-Y340 PolarHBondContact O-N 3.4Å; Y340-R342 PolarHBondContact O-N 3.41Å; Y340-K343 PolarHBondContact O-N 3.31Å; Y340-S344 WeakPolarHBondContact O-CB 3.23Å; Y340-S344 PolarHBondContact O-N 3.01Å; Y340-R556 HydrophobicContact CE1-CB 4.34Å; Y340-P557 HydrophobicContact CD1-CG 4.24Å; Y340-P557 HydrophobicContact CE1-CG 3.77Å
341	L	92.6	Very high	90.1	Very high	6 Å²	6	86.1 Å²	86.1	3%	0.031	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-40.8	176.7	-64.9	-174.9	0	0	0	112.4	W337 F338 V348 H352 Y353 P557	W337-L341 HydrophobicContact CZ2-CD2 4.15Å; W337-L341 WeakPolarHBondContact O-CG 3.46Å; W337-L341 PolarHBondContact O-N 3.31Å; F338-L341 PolarHBondContact O-N 3.43Å; L341-V348 HydrophobicContact CD2-CG1 4.19Å; L341-H352 HydrophobicContact CD1-CB 3.92Å; L341-H352 HydrophobicContact CD2-CB 3.69Å; L341-H352 HydrophobicContact CG-CB 4.47Å; L341-Y353 HydrophobicContact CD1-CD1 4.31Å; L341-Y353 HydrophobicContact CD1-CE1 4.43Å; L341-P557 HydrophobicContact CD2-CG 3.83Å
342	R	91.9	Very high	89.7	Confident	173 Å²	173	82.5 Å²	82.5	65%	0.653	37%	0.374	S	S	*	.	H	α-helix	trans	-68.2	-33.4	178.5	-72.9	-70	-170.9	172.9	2	113.3	F338 V339 Y340	F338-R342 HydrophobicContact CD1-CG 4.41Å; F338-R342 HydrophobicContact CD2-CG 4.38Å; F338-R342 HydrophobicContact CE1-CG 4.09Å; F338-R342 HydrophobicContact CE2-CG 4.07Å; F338-R342 HydrophobicContact CZ-CG 3.93Å; F338-R342 VanDerWaalsContact CZ-NE 3.35Å; F338-R342 WeakPolarHBondContact O-CB 3.41Å; F338-R342 VanDerWaalsContact O-CG 3.28Å; F338-R342 WeakPolarHBondContact O-CG 3.5Å; F338-R342 PolarHBondContact O-N 2.9Å; V339-R342 PolarHBondContact O-N 3.21Å; Y340-R342 PolarHBondContact O-N 3.41Å
343	K	91.5	Very high	89.4	Confident	170 Å²	170	80.8 Å²	80.8	74%	0.739	36%	0.364	S	S	*	.	H	α-helix	trans	-89.8	-11.9	179.5	-71.9	-174.6	176.5	-178.3	0	113.7	V339 Y340 K345	V339-K343 HydrophobicContact CG1-CD 3.99Å; V339-K343 HydrophobicContact CG1-CG 4.42Å; V339-K343 WeakPolarHBondContact O-CB 3.38Å; V339-K343 WeakPolarHBondContact O-CG 3.16Å; V339-K343 PolarHBondContact O-N 3.24Å; Y340-K343 PolarHBondContact O-N 3.31Å; K343-K345 PolarHBondContact O-N 2.81Å
344	S	85.9	Confident	89.2	Confident	28 Å²	28	81.2 Å²	81.2	20%	0.196	37%	0.366	C	S	.	.			trans	-62.9	128.1	-179.3	-178.5	0	0	0	0	110.8	Y340 N346	Y340-S344 WeakPolarHBondContact O-CB 3.23Å; Y340-S344 PolarHBondContact O-N 3.01Å; S344-N346 VanDerWaalsContact C-N 3.26Å; S344-N346 PolarHBondContact OG-N 2.92Å; S344-N346 VanDerWaalsContact OG-N 3.12Å; S344-N346 PolarHBondContact OG-O 3.48Å
345	K	83.2	Confident	88.9	Confident	204 Å²	204	81.8 Å²	81.8	89%	0.887	37%	0.368	S	S	*	.			trans	-82	-7.6	168.6	-64.9	-175.8	178.4	-178	0	112.6	K343	K343-K345 PolarHBondContact O-N 2.81Å
346	N	80	Confident	88.8	Confident	42 Å²	42	78.7 Å²	78.7	23%	0.225	35%	0.352	C	S	.	.	S	Bend	trans	-91.3	159.4	-175.4	-51.2	-44.1	0	0	0	111.1	S344 V348 P557 V558 N559	S344-N346 VanDerWaalsContact C-N 3.26Å; S344-N346 PolarHBondContact OG-N 2.92Å; S344-N346 VanDerWaalsContact OG-N 3.12Å; S344-N346 PolarHBondContact OG-O 3.48Å; N346-V348 WeakPolarHBondContact O-CG2 3.29Å; N346-V348 PolarHBondContact O-N 3.25Å; N346-P557 HydrophobicContact CB-CB 4.32Å; N346-P557 PolarHBondContact ND2-O 3.34Å; N346-V558 WeakPolarHBondContact ND2-CA 3.5Å; N346-N559 VanDerWaalsContact CA-OD1 3.29Å; N346-N559 WeakPolarHBondContact CA-OD1 3.43Å; N346-N559 VanDerWaalsContact CB-OD1 3.32Å; N346-N559 WeakPolarHBondContact CB-OD1 3.27Å; N346-N559 PolarHBondContact OD1-N 3.29Å; N346-N559 PolarHBondContact OD1-ND2 2.98Å; N346-N559 PolarHBondContact OD1-OD1 3.36Å; N346-N559 VanDerWaalsContact OD1-OD1 3.14Å
347	S	77.4	Confident	88.8	Confident	72 Å²	72	74 Å²	74	50%	0.503	34%	0.339	S	S	.	.			trans	-57.6	116.5	178.6	-61	0	0	0	0	112.5
348	V	83.8	Confident	88.8	Confident	43 Å²	43	73.2 Å²	73.2	26%	0.261	34%	0.336	S	S	.	.			trans	-99.5	107.9	177.9	-177.2	0	0	0	0	110.1	L341 N346 H352 Y353 P557	L341-V348 HydrophobicContact CD2-CG1 4.19Å; N346-V348 WeakPolarHBondContact O-CG2 3.29Å; N346-V348 PolarHBondContact O-N 3.25Å; V348-H352 HydrophobicContact CG1-CB 3.96Å; V348-Y353 HydrophobicContact CB-CE2 4.5Å; V348-Y353 HydrophobicContact CG1-CD2 4.16Å; V348-Y353 HydrophobicContact CG1-CE2 3.54Å; V348-P557 HydrophobicContact CG2-CB 4.29Å; V348-P557 HydrophobicContact CG2-CG 4.49Å
349	Y	80	Confident	88.8	Confident	92 Å²	92	69.7 Å²	69.7	36%	0.361	32%	0.322	S	S	.	.			trans	-84.7	164.9	176.8	-61.1	-87.8	0	0	0	113.2	I351 H352 L564	Y349-I351 PolarHBondContact O-N 2.96Å; Y349-I351 VanDerWaalsContact O-N 3.12Å; Y349-H352 PolarHBondContact N-ND1 3.4Å; Y349-H352 PolarHBondContact O-N 3.19Å; Y349-H352 VanDerWaalsContact O-N 3.08Å; Y349-H352 PolarHBondContact O-ND1 3.08Å; Y349-L564 HydrophobicContact CD2-CB 4.12Å; Y349-L564 HydrophobicContact CD2-CD1 3.56Å; Y349-L564 HydrophobicContact CD2-CD2 3.33Å; Y349-L564 HydrophobicContact CD2-CG 3.82Å; Y349-L564 HydrophobicContact CE2-CB 3.54Å; Y349-L564 HydrophobicContact CE2-CD1 3.63Å; Y349-L564 HydrophobicContact CE2-CD2 3.67Å; Y349-L564 HydrophobicContact CE2-CG 3.77Å; Y349-L564 HydrophobicContact CG-CD2 3.91Å; Y349-L564 PolarHBondContact OH-O 3.48Å
350	R	84.4	Confident	88.9	Confident	229 Å²	229	69.5 Å²	69.5	86%	0.864	32%	0.321	S	S	*	.	H	α-helix	trans	-54.6	-31.4	178.8	-65.9	-177.8	-178	173.3	1.1	113.1	H352 Y353 L354	R350-H352 VanDerWaalsContact C-N 3.3Å; R350-H352 PolarHBondContact O-N 3.28Å; R350-Y353 PolarHBondContact O-N 3.29Å; R350-L354 PolarHBondContact O-N 2.94Å
351	I	83.7	Confident	89	Confident	23 Å²	23	67 Å²	67	12%	0.118	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-35.6	178.9	-171	58.8	0	0	0	112.8	Y349 Y353 L354 M355 T404 I408	Y349-I351 PolarHBondContact O-N 2.96Å; Y349-I351 VanDerWaalsContact O-N 3.12Å; I351-Y353 VanDerWaalsContact C-N 3.34Å; I351-Y353 PolarHBondContact O-N 3.09Å; I351-L354 HydrophobicContact CD1-CB 4.44Å; I351-L354 HydrophobicContact CD1-CD2 4.03Å; I351-L354 WeakPolarHBondContact O-CB 3.44Å; I351-L354 PolarHBondContact O-N 2.89Å; I351-M355 HydrophobicContact CD1-CE 4.5Å; I351-M355 HydrophobicContact CG1-CE 3.92Å; I351-M355 WeakPolarHBondContact O-CG 3.44Å; I351-M355 PolarHBondContact O-N 3.14Å; I351-T404 HydrophobicContact CD1-CG2 4.31Å; I351-I408 HydrophobicContact CD1-CD1 4.49Å; I351-I408 HydrophobicContact CD1-CG1 3.85Å; I351-I408 HydrophobicContact CG1-CG1 4.17Å
352	H	88.9	Confident	89.2	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-37.2	179	-55.4	131.1	0	0	0	112.1	W337 L341 V348 Y349 R350 M355 L356 F555	W337-H352 PolarHBondContact NE1-O 3.24Å; L341-H352 HydrophobicContact CD1-CB 3.92Å; L341-H352 HydrophobicContact CD2-CB 3.69Å; L341-H352 HydrophobicContact CG-CB 4.47Å; V348-H352 HydrophobicContact CG1-CB 3.96Å; Y349-H352 PolarHBondContact N-ND1 3.4Å; Y349-H352 PolarHBondContact O-N 3.19Å; Y349-H352 VanDerWaalsContact O-N 3.08Å; Y349-H352 PolarHBondContact O-ND1 3.08Å; R350-H352 VanDerWaalsContact C-N 3.3Å; R350-H352 PolarHBondContact O-N 3.28Å; H352-M355 PolarHBondContact O-N 3.18Å; H352-L356 PolarHBondContact O-N 2.91Å; H352-F555 PolarHBondContact CD2-O 3.22Å; H352-F555 PolarHBondContact NE2-O 3.19Å; H352-F555 VanDerWaalsContact NE2-O 3.08Å
353	Y	90.9	Very high	89.5	Confident	106 Å²	106	59.1 Å²	59.1	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-71.1	-32.5	173.5	-67.1	-71.5	0	0	0	111.9	L341 V348 R350 I351 L356 A357	L341-Y353 HydrophobicContact CD1-CD1 4.31Å; L341-Y353 HydrophobicContact CD1-CE1 4.43Å; V348-Y353 HydrophobicContact CB-CE2 4.5Å; V348-Y353 HydrophobicContact CG1-CD2 4.16Å; V348-Y353 HydrophobicContact CG1-CE2 3.54Å; R350-Y353 PolarHBondContact O-N 3.29Å; I351-Y353 VanDerWaalsContact C-N 3.34Å; I351-Y353 PolarHBondContact O-N 3.09Å; Y353-L356 WeakPolarHBondContact O-CB 3.36Å; Y353-L356 PolarHBondContact O-N 3.26Å; Y353-A357 PolarHBondContact O-N 3.38Å
354	L	90.7	Very high	89.7	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-43.1	172.4	-173.1	67.7	0	0	0	111.3	R350 I351 L356 A357 V358 L400 T404 L407	R350-L354 PolarHBondContact O-N 2.94Å; I351-L354 HydrophobicContact CD1-CB 4.44Å; I351-L354 HydrophobicContact CD1-CD2 4.03Å; I351-L354 WeakPolarHBondContact O-CB 3.44Å; I351-L354 PolarHBondContact O-N 2.89Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 PolarHBondContact O-N 3.11Å; L354-A357 WeakPolarHBondContact O-CB 3.22Å; L354-A357 PolarHBondContact O-N 3.05Å; L354-A357 VanDerWaalsContact O-N 3.11Å; L354-V358 WeakPolarHBondContact O-CG2 3.25Å; L354-V358 PolarHBondContact O-N 3.08Å; L354-L400 HydrophobicContact CD1-CD2 4.45Å; L354-T404 HydrophobicContact CD2-CG2 4.17Å; L354-T404 WeakPolarHBondContact CD2-OG1 3.44Å; L354-T404 HydrophobicContact CG-CG2 4.33Å; L354-T404 WeakPolarHBondContact CG-OG1 3.36Å; L354-L407 HydrophobicContact CD2-CD1 3.55Å
355	M	91.2	Very high	90.1	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-41.7	172.9	-70.2	170.5	177.7	0	0	112	W337 I351 H352 A357 V358 T359 T404 I408 V551 F555	W337-M355 HydrophobicContact CZ2-SD 4.37Å; I351-M355 HydrophobicContact CD1-CE 4.5Å; I351-M355 HydrophobicContact CG1-CE 3.92Å; I351-M355 WeakPolarHBondContact O-CG 3.44Å; I351-M355 PolarHBondContact O-N 3.14Å; H352-M355 PolarHBondContact O-N 3.18Å; M355-A357 VanDerWaalsContact C-N 3.35Å; M355-A357 PolarHBondContact O-N 3.45Å; M355-V358 PolarHBondContact O-N 3.17Å; M355-T359 PolarHBondContact O-N 3.35Å; M355-T404 HydrophobicContact CG-CG2 4.21Å; M355-I408 HydrophobicContact CE-CD1 3.37Å; M355-I408 HydrophobicContact CE-CG1 3.99Å; M355-V551 HydrophobicContact CE-CG1 3.9Å; M355-F555 HydrophobicContact CE-CB 3.52Å; M355-F555 HydrophobicContact CE-CD1 4.3Å; M355-F555 HydrophobicContact CE-CD2 4.24Å; M355-F555 HydrophobicContact CE-CG 3.78Å; M355-F555 HydrophobicContact SD-CB 4.13Å
356	L	94.9	Very high	90.8	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-44	172.8	180	62.3	0	0	0	111.8	S334 W337 F338 H352 Y353 L354 V358 T359 V360	S334-L356 VanDerWaalsContact O-CD1 3.24Å; S334-L356 WeakPolarHBondContact O-CD1 3.35Å; W337-L356 HydrophobicContact CB-CD1 4.41Å; F338-L356 HydrophobicContact CB-CD1 3.99Å; F338-L356 HydrophobicContact CB-CD2 4.03Å; F338-L356 HydrophobicContact CD2-CD2 3.64Å; F338-L356 HydrophobicContact CG-CD2 4.3Å; H352-L356 PolarHBondContact O-N 2.91Å; Y353-L356 WeakPolarHBondContact O-CB 3.36Å; Y353-L356 PolarHBondContact O-N 3.26Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 PolarHBondContact O-N 3.11Å; L356-V358 VanDerWaalsContact C-N 3.29Å; L356-V358 PolarHBondContact O-N 2.85Å; L356-T359 PolarHBondContact O-N 3.5Å; L356-T359 PolarHBondContact O-OG1 3.03Å; L356-V360 HydrophobicContact CD1-CG2 4.13Å; L356-V360 HydrophobicContact CG-CG2 4.34Å; L356-V360 VanDerWaalsContact O-CG2 3.32Å; L356-V360 WeakPolarHBondContact O-CG2 3.18Å; L356-V360 PolarHBondContact O-N 3.01Å
357	A	94.8	Very high	91.5	Very high	36 Å²	36	42.8 Å²	42.8	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-40.3	179.2	0	0	0	0	0	111.4	Y353 L354 M355 V360 V361	Y353-A357 PolarHBondContact O-N 3.38Å; L354-A357 WeakPolarHBondContact O-CB 3.22Å; L354-A357 PolarHBondContact O-N 3.05Å; L354-A357 VanDerWaalsContact O-N 3.11Å; M355-A357 VanDerWaalsContact C-N 3.35Å; M355-A357 PolarHBondContact O-N 3.45Å; A357-V360 PolarHBondContact O-N 2.84Å; A357-V361 WeakPolarHBondContact O-CB 3.39Å; A357-V361 VanDerWaalsContact O-CG2 3.28Å; A357-V361 WeakPolarHBondContact O-CG2 3.18Å; A357-V361 PolarHBondContact O-N 3.33Å
358	V	94.9	Very high	92.4	Very high	7 Å²	7	42 Å²	42	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-46.9	175.8	174	0	0	0	0	111.3	L354 M355 L356 K362 L400 L401 T404 F548	L354-V358 WeakPolarHBondContact O-CG2 3.25Å; L354-V358 PolarHBondContact O-N 3.08Å; M355-V358 PolarHBondContact O-N 3.17Å; L356-V358 VanDerWaalsContact C-N 3.29Å; L356-V358 PolarHBondContact O-N 2.85Å; V358-K362 VanDerWaalsContact O-CB 3.29Å; V358-K362 WeakPolarHBondContact O-CB 3.2Å; V358-K362 PolarHBondContact O-N 3.44Å; V358-L400 HydrophobicContact CG2-CB 4.1Å; V358-L401 HydrophobicContact CG1-CB 4.47Å; V358-L401 HydrophobicContact CG1-CD1 4.17Å; V358-T404 HydrophobicContact CG2-CG2 4.36Å; V358-T404 WeakPolarHBondContact CG2-OG1 3.38Å; V358-F548 HydrophobicContact CG1-CE1 4.3Å; V358-F548 HydrophobicContact CG1-CE2 4Å; V358-F548 HydrophobicContact CG1-CZ 3.65Å
359	T	96.1	Very high	92.8	Very high	13 Å²	13	40.6 Å²	40.6	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-37.5	-178.3	60	0	0	0	0	112.4	L333 S334 M355 L356 K362 S363 F548	L333-T359 HydrophobicContact CD2-CG2 4.26Å; S334-T359 WeakPolarHBondContact OG-CB 3.48Å; S334-T359 PolarHBondContact OG-O 2.96Å; S334-T359 PolarHBondContact OG-OG1 3.46Å; M355-T359 PolarHBondContact O-N 3.35Å; L356-T359 PolarHBondContact O-N 3.5Å; L356-T359 PolarHBondContact O-OG1 3.03Å; T359-K362 PolarHBondContact O-N 2.63Å; T359-S363 PolarHBondContact O-N 3.45Å; T359-F548 HydrophobicContact CG2-CD2 3.84Å; T359-F548 HydrophobicContact CG2-CE2 4.35Å
360	V	97.1	Very high	93.6	Very high	56 Å²	56	37 Å²	37	34%	0.339	18%	0.183	S	C	.	.	H	α-helix	trans	-64.5	-49.1	175.7	170.9	0	0	0	0	110.8	S334 L356 A357 K362 S363 I364	S334-V360 PolarHBondContact OG-N 3.47Å; L356-V360 HydrophobicContact CD1-CG2 4.13Å; L356-V360 HydrophobicContact CG-CG2 4.34Å; L356-V360 VanDerWaalsContact O-CG2 3.32Å; L356-V360 WeakPolarHBondContact O-CG2 3.18Å; L356-V360 PolarHBondContact O-N 3.01Å; A357-V360 PolarHBondContact O-N 2.84Å; V360-K362 VanDerWaalsContact C-N 3.29Å; V360-K362 PolarHBondContact O-N 3.5Å; V360-S363 WeakPolarHBondContact O-CB 2.96Å; V360-S363 PolarHBondContact O-N 3.22Å; V360-I364 HydrophobicContact CG1-CD1 3.98Å; V360-I364 WeakPolarHBondContact O-CG1 3.46Å; V360-I364 PolarHBondContact O-N 3.17Å
361	V	96.3	Very high	94	Very high	27 Å²	27	28.4 Å²	28.4	16%	0.164	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-35.3	179.5	173.8	0	0	0	0	111.2	A357 I364 S365 I396 R397 L400	A357-V361 WeakPolarHBondContact O-CB 3.39Å; A357-V361 VanDerWaalsContact O-CG2 3.28Å; A357-V361 WeakPolarHBondContact O-CG2 3.18Å; A357-V361 PolarHBondContact O-N 3.33Å; V361-I364 PolarHBondContact O-N 3.32Å; V361-S365 VanDerWaalsContact O-CB 3.27Å; V361-S365 WeakPolarHBondContact O-CB 3.35Å; V361-S365 PolarHBondContact O-N 2.92Å; V361-I396 HydrophobicContact CG1-CB 4.38Å; V361-I396 HydrophobicContact CG1-CG2 3.98Å; V361-R397 HydrophobicContact CG1-CB 3.85Å; V361-L400 HydrophobicContact CB-CD1 4.18Å; V361-L400 HydrophobicContact CG1-CD1 4.32Å; V361-L400 HydrophobicContact CG2-CD1 3.76Å
362	K	96	Very high	94.4	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.039	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-45.5	172.3	179.9	67.2	171.6	173.4	0	111.7	Y330 V358 T359 V360 S365 L366 R397 E541 F548	Y330-K362 HydrophobicContact CD1-CB 4.48Å; Y330-K362 HydrophobicContact CD1-CG 3.84Å; Y330-K362 HydrophobicContact CD2-CG 3.93Å; Y330-K362 HydrophobicContact CE1-CG 3.87Å; Y330-K362 HydrophobicContact CE2-CG 3.96Å; Y330-K362 HydrophobicContact CG-CG 3.87Å; V358-K362 VanDerWaalsContact O-CB 3.29Å; V358-K362 WeakPolarHBondContact O-CB 3.2Å; V358-K362 PolarHBondContact O-N 3.44Å; T359-K362 PolarHBondContact O-N 2.63Å; V360-K362 VanDerWaalsContact C-N 3.29Å; V360-K362 PolarHBondContact O-N 3.5Å; K362-S365 PolarHBondContact O-N 3.22Å; K362-L366 HydrophobicContact CD-CD1 4.24Å; K362-L366 HydrophobicContact CD-CG 4.44Å; K362-L366 HydrophobicContact CG-CD1 4.15Å; K362-L366 VanDerWaalsContact O-CG 3.3Å; K362-L366 WeakPolarHBondContact O-CG 3.47Å; K362-L366 PolarHBondContact O-N 3.14Å; K362-R397 HydrophobicContact CB-CG 4.42Å; K362-R397 HydrophobicContact CD-CG 4.15Å; K362-E541 WeakPolarHBondContact CE-OE2 3.31Å; K362-E541 IonicContact NZ-OE1 3.4Å; K362-E541 PolarHBondContact NZ-OE1 2.92Å; K362-E541 IonicContact NZ-OE2 2.8Å; K362-E541 PolarHBondContact NZ-OE2 3.43Å; K362-F548 HydrophobicContact CB-CE2 4.34Å; K362-F548 HydrophobicContact CG-CE2 4.19Å
363	S	97.1	Very high	94.5	Very high	5 Å²	5	29 Å²	29	4%	0.035	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-50.6	176.2	178.3	0	0	0	0	111.5	C327 L331 T359 V360 S365 L366 G367	C327-S363 PolarHBondContact O-OG 3.48Å; C327-S363 PolarHBondContact SG-O 2.94Å; L331-S363 WeakPolarHBondContact CB-OG 3.22Å; T359-S363 PolarHBondContact O-N 3.45Å; V360-S363 WeakPolarHBondContact O-CB 2.96Å; V360-S363 PolarHBondContact O-N 3.22Å; S363-S365 PolarHBondContact O-N 2.82Å; S363-L366 PolarHBondContact O-N 3.4Å; S363-G367 PolarHBondContact O-N 3.2Å
364	I	96.7	Very high	94.6	Very high	78 Å²	78	30.8 Å²	30.8	40%	0.4	16%	0.164	S	C	.	.	H	α-helix	trans	-60	-45.4	179.1	-63	169.2	0	0	0	111.3	V360 V361 L366 G367 F368 T393	V360-I364 HydrophobicContact CG1-CD1 3.98Å; V360-I364 WeakPolarHBondContact O-CG1 3.46Å; V360-I364 PolarHBondContact O-N 3.17Å; V361-I364 PolarHBondContact O-N 3.32Å; I364-L366 VanDerWaalsContact C-N 3.34Å; I364-L366 PolarHBondContact O-N 3.46Å; I364-G367 PolarHBondContact O-N 3.41Å; I364-G367 VanDerWaalsContact O-N 3.16Å; I364-F368 HydrophobicContact CG2-CD2 3.84Å; I364-F368 HydrophobicContact CG2-CE2 3.43Å; I364-F368 VanDerWaalsContact CG2-CE2 3.43Å; I364-F368 HydrophobicContact CG2-CZ 4.16Å; I364-F368 PolarHBondContact O-N 3.12Å; I364-T393 HydrophobicContact CG2-CG2 4.06Å
365	S	95.2	Very high	94.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-42.7	178.9	176.5	0	0	0	0	112.1	V361 K362 S363 F368 H369	V361-S365 VanDerWaalsContact O-CB 3.27Å; V361-S365 WeakPolarHBondContact O-CB 3.35Å; V361-S365 PolarHBondContact O-N 2.92Å; K362-S365 PolarHBondContact O-N 3.22Å; S363-S365 PolarHBondContact O-N 2.82Å; S365-F368 PolarHBondContact O-N 3.41Å; S365-H369 WeakPolarHBondContact O-CB 3.47Å; S365-H369 PolarHBondContact O-N 3.42Å
366	L	95.9	Very high	94.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-35.7	175.6	-70.6	169.5	0	0	0	112.4	Y323 C327 Y330 K362 S363 I364 H369 S370	Y323-L366 HydrophobicContact CD1-CD2 3.67Å; Y323-L366 HydrophobicContact CE1-CD2 4.23Å; Y323-L366 HydrophobicContact CG-CD2 4.47Å; C327-L366 HydrophobicContact CB-CB 3.95Å; Y330-L366 HydrophobicContact CD2-CD1 3.32Å; Y330-L366 HydrophobicContact CE2-CD1 3.6Å; Y330-L366 HydrophobicContact CG-CD1 4.36Å; K362-L366 HydrophobicContact CD-CD1 4.24Å; K362-L366 HydrophobicContact CD-CG 4.44Å; K362-L366 HydrophobicContact CG-CD1 4.15Å; K362-L366 VanDerWaalsContact O-CG 3.3Å; K362-L366 WeakPolarHBondContact O-CG 3.47Å; K362-L366 PolarHBondContact O-N 3.14Å; S363-L366 PolarHBondContact O-N 3.4Å; I364-L366 VanDerWaalsContact C-N 3.34Å; I364-L366 PolarHBondContact O-N 3.46Å; L366-H369 PolarHBondContact O-N 2.79Å; L366-S370 WeakPolarHBondContact O-CB 3.39Å; L366-S370 PolarHBondContact O-N 3.11Å
367	G	96.2	Very high	94.3	Very high	20 Å²	20	28 Å²	28	21%	0.206	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-51.2	173.1	0	0	0	0	0	112	S363 I364 H369 S370 V371	S363-G367 PolarHBondContact O-N 3.2Å; I364-G367 PolarHBondContact O-N 3.41Å; I364-G367 VanDerWaalsContact O-N 3.16Å; G367-H369 VanDerWaalsContact C-N 3.3Å; G367-H369 PolarHBondContact O-N 2.92Å; G367-S370 WeakPolarHBondContact O-CB 3.45Å; G367-S370 PolarHBondContact O-N 3.41Å; G367-V371 WeakPolarHBondContact O-CG2 3.48Å; G367-V371 PolarHBondContact O-N 3.46Å; G367-V371 VanDerWaalsContact O-N 3.11Å
368	F	95.2	Very high	94	Very high	55 Å²	55	32.3 Å²	32.3	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-35	175.9	-67.6	-43.6	0	0	0	112.7	I364 S365 V371 N372 W386 M389 T393	I364-F368 HydrophobicContact CG2-CD2 3.84Å; I364-F368 HydrophobicContact CG2-CE2 3.43Å; I364-F368 VanDerWaalsContact CG2-CE2 3.43Å; I364-F368 HydrophobicContact CG2-CZ 4.16Å; I364-F368 PolarHBondContact O-N 3.12Å; S365-F368 PolarHBondContact O-N 3.41Å; F368-V371 PolarHBondContact O-N 3.39Å; F368-N372 VanDerWaalsContact O-CB 3.3Å; F368-N372 WeakPolarHBondContact O-CB 3.25Å; F368-N372 PolarHBondContact O-N 3.25Å; F368-W386 HydrophobicContact CD1-CE3 4.41Å; F368-W386 HydrophobicContact CD1-CZ3 4.38Å; F368-W386 HydrophobicContact CE1-CZ3 4.41Å; F368-M389 HydrophobicContact CD1-CB 4.14Å; F368-M389 HydrophobicContact CD2-CB 4.09Å; F368-M389 HydrophobicContact CE1-CB 4.28Å; F368-M389 HydrophobicContact CE2-CB 4.2Å; F368-M389 HydrophobicContact CG-CB 4.07Å; F368-M389 HydrophobicContact CZ-CB 4.3Å; F368-T393 HydrophobicContact CD2-CG2 3.59Å; F368-T393 HydrophobicContact CE2-CG2 3.62Å
369	H	93.5	Very high	93.4	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.06	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-41.5	176.6	-160.3	-166.7	0	0	0	112.5	Y323 S365 L366 G367 N372 Y373 Y390	Y323-H369 AromaticContact CD1-ND1 3.98Å; Y323-H369 HydrophobicContact CD2-CB 4.32Å; Y323-H369 AromaticContact CD2-CG 3.84Å; Y323-H369 AromaticContact CD2-ND1 3.56Å; Y323-H369 AromaticContact CE1-ND1 3.66Å; Y323-H369 AromaticContact CE2-CE1 3.35Å; Y323-H369 WeakPolarHBondContact CE2-CE1 3.1Å; Y323-H369 AromaticContact CE2-CG 3.84Å; Y323-H369 AromaticContact CE2-ND1 3.22Å; Y323-H369 WeakPolarHBondContact CE2-ND1 3.33Å; Y323-H369 AromaticContact CE2-NE2 3.98Å; Y323-H369 HydrophobicContact CG-CB 4.46Å; Y323-H369 AromaticContact CG-ND1 3.93Å; Y323-H369 AromaticContact CZ-CE1 3.34Å; Y323-H369 AromaticContact CZ-ND1 3.27Å; Y323-H369 VanDerWaalsContact CZ-ND1 3.27Å; Y323-H369 PolarHBondContact OH-CE1 3.29Å; Y323-H369 VanDerWaalsContact OH-CE1 3.31Å; S365-H369 WeakPolarHBondContact O-CB 3.47Å; S365-H369 PolarHBondContact O-N 3.42Å; L366-H369 PolarHBondContact O-N 2.79Å; G367-H369 VanDerWaalsContact C-N 3.3Å; G367-H369 PolarHBondContact O-N 2.92Å; H369-N372 PolarHBondContact O-N 3.28Å; H369-Y373 AromaticContact CD2-CD2 3.62Å; H369-Y373 AromaticContact CD2-CE2 3.7Å; H369-Y373 AromaticContact CE1-CE2 3.81Å; H369-Y373 AromaticContact NE2-CD2 3.63Å; H369-Y373 AromaticContact NE2-CE2 3.18Å; H369-Y373 WeakPolarHBondContact NE2-CE2 3.49Å; H369-Y373 PolarHBondContact O-N 3.06Å; H369-Y390 HydrophobicContact CB-CD2 3.63Å; H369-Y390 HydrophobicContact CB-CE2 3.68Å; H369-Y390 AromaticContact CD2-CD2 3.79Å; H369-Y390 AromaticContact CD2-CE1 3.86Å; H369-Y390 AromaticContact CD2-CE2 3.38Å; H369-Y390 WeakPolarHBondContact CD2-CE2 3.37Å; H369-Y390 AromaticContact CD2-CZ 3.44Å; H369-Y390 VanDerWaalsContact CD2-CZ 3.44Å; H369-Y390 AromaticContact CE1-CZ 3.9Å; H369-Y390 AromaticContact CG-CD2 3.84Å; H369-Y390 AromaticContact CG-CE2 3.43Å; H369-Y390 VanDerWaalsContact CG-CE2 3.43Å; H369-Y390 AromaticContact CG-CZ 3.93Å; H369-Y390 AromaticContact ND1-CE2 3.87Å; H369-Y390 AromaticContact NE2-CE1 3.95Å; H369-Y390 AromaticContact NE2-CE2 3.79Å; H369-Y390 AromaticContact NE2-CZ 3.43Å; H369-Y390 PolarHBondContact NE2-OH 3.44Å
370	S	95.1	Very high	92.7	Very high	17 Å²	17	34.8 Å²	34.8	12%	0.119	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-48.9	174.2	176.5	0	0	0	0	111.4	P320 L366 G367 Y373 Y374	P320-S370 WeakPolarHBondContact O-CB 3.24Å; P320-S370 PolarHBondContact O-OG 3.11Å; L366-S370 WeakPolarHBondContact O-CB 3.39Å; L366-S370 PolarHBondContact O-N 3.11Å; G367-S370 WeakPolarHBondContact O-CB 3.45Å; G367-S370 PolarHBondContact O-N 3.41Å; S370-Y373 PolarHBondContact O-N 3.47Å; S370-Y374 WeakPolarHBondContact O-CB 3.38Å; S370-Y374 PolarHBondContact O-N 3.29Å
371	V	94.3	Very high	91.7	Very high	48 Å²	48	33.3 Å²	33.3	29%	0.291	17%	0.168	S	C	.	.	H	α-helix	trans	-63	-44.1	178.1	177.1	0	0	0	0	111	G367 F368 Y373 Y374 V375 W386	G367-V371 WeakPolarHBondContact O-CG2 3.48Å; G367-V371 PolarHBondContact O-N 3.46Å; G367-V371 VanDerWaalsContact O-N 3.11Å; F368-V371 PolarHBondContact O-N 3.39Å; V371-Y373 PolarHBondContact O-N 3.45Å; V371-Y374 WeakPolarHBondContact O-CB 3.22Å; V371-Y374 PolarHBondContact O-N 3.2Å; V371-V375 HydrophobicContact CG1-CG2 4.21Å; V371-V375 WeakPolarHBondContact O-CB 3.42Å; V371-V375 VanDerWaalsContact O-CG2 3.31Å; V371-V375 WeakPolarHBondContact O-CG2 3.47Å; V371-V375 PolarHBondContact O-N 3.43Å; V371-W386 HydrophobicContact CB-CE3 4.27Å; V371-W386 HydrophobicContact CG1-CD2 3.51Å; V371-W386 HydrophobicContact CG1-CE3 3.54Å; V371-W386 HydrophobicContact CG1-CG 3.98Å; V371-W386 HydrophobicContact CG1-CH2 4.26Å; V371-W386 HydrophobicContact CG1-CZ2 4.24Å; V371-W386 HydrophobicContact CG1-CZ3 3.93Å
372	N	91.6	Very high	90.7	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-57.4	-50.5	177.6	-172.2	53.7	0	0	0	111.3	F368 H369 Y374 V375 I376	F368-N372 VanDerWaalsContact O-CB 3.3Å; F368-N372 WeakPolarHBondContact O-CB 3.25Å; F368-N372 PolarHBondContact O-N 3.25Å; H369-N372 PolarHBondContact O-N 3.28Å; N372-Y374 VanDerWaalsContact C-N 3.35Å; N372-Y374 PolarHBondContact O-N 3.5Å; N372-V375 PolarHBondContact O-N 2.88Å; N372-I376 WeakPolarHBondContact O-CD1 3.15Å; N372-I376 WeakPolarHBondContact O-CG1 3.32Å; N372-I376 PolarHBondContact O-N 3.39Å
373	Y	91.2	Very high	89.8	Confident	34 Å²	34	36.4 Å²	36.4	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-37.6	176.9	-95	-73.8	0	0	0	113.1	L312 L319 Y323 H369 S370 V371 G377	L312-Y373 HydrophobicContact CD1-CD1 4.25Å; L312-Y373 HydrophobicContact CD2-CD1 3.71Å; L312-Y373 HydrophobicContact CD2-CE1 4.15Å; L319-Y373 HydrophobicContact CB-CD1 4.37Å; L319-Y373 HydrophobicContact CB-CD2 4.48Å; L319-Y373 HydrophobicContact CB-CG 4.32Å; L319-Y373 HydrophobicContact CD1-CD1 4.26Å; L319-Y373 HydrophobicContact CD1-CE1 3.72Å; L319-Y373 HydrophobicContact CD1-CE2 4.15Å; Y323-Y373 HydrophobicContact CD2-CD2 4.04Å; Y323-Y373 AromaticContact CE2-CD2 3.71Å; Y323-Y373 HydrophobicContact CE2-CD2 3.71Å; Y323-Y373 AromaticContact CE2-CE2 3.74Å; Y323-Y373 HydrophobicContact CE2-CE2 3.74Å; H369-Y373 AromaticContact CD2-CD2 3.62Å; H369-Y373 AromaticContact CD2-CE2 3.7Å; H369-Y373 AromaticContact CE1-CE2 3.81Å; H369-Y373 AromaticContact NE2-CD2 3.63Å; H369-Y373 AromaticContact NE2-CE2 3.18Å; H369-Y373 WeakPolarHBondContact NE2-CE2 3.49Å; H369-Y373 PolarHBondContact O-N 3.06Å; S370-Y373 PolarHBondContact O-N 3.47Å; V371-Y373 PolarHBondContact O-N 3.45Å; Y373-G377 PolarHBondContact O-N 2.96Å
374	Y	93.1	Very high	88.8	Confident	142 Å²	142	42.6 Å²	42.6	56%	0.557	21%	0.209	S	C	*	.	H	α-helix	trans	-61.9	-46.3	175.6	177.3	-97.6	0	0	0	111.8	S370 V371 N372 G377 K378	S370-Y374 WeakPolarHBondContact O-CB 3.38Å; S370-Y374 PolarHBondContact O-N 3.29Å; V371-Y374 WeakPolarHBondContact O-CB 3.22Å; V371-Y374 PolarHBondContact O-N 3.2Å; N372-Y374 VanDerWaalsContact C-N 3.35Å; N372-Y374 PolarHBondContact O-N 3.5Å; Y374-G377 PolarHBondContact O-N 2.85Å; Y374-K378 PolarHBondContact O-N 2.95Å
375	V	91.2	Very high	88.2	Confident	11 Å²	11	43 Å²	43	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-45	178.4	170	0	0	0	0	111.2	V371 N372 G377 K378 H379 E383	V371-V375 HydrophobicContact CG1-CG2 4.21Å; V371-V375 WeakPolarHBondContact O-CB 3.42Å; V371-V375 VanDerWaalsContact O-CG2 3.31Å; V371-V375 WeakPolarHBondContact O-CG2 3.47Å; V371-V375 PolarHBondContact O-N 3.43Å; N372-V375 PolarHBondContact O-N 2.88Å; V375-G377 VanDerWaalsContact C-N 3.29Å; V375-G377 PolarHBondContact O-N 3.35Å; V375-K378 PolarHBondContact O-N 3.01Å; V375-K378 VanDerWaalsContact O-N 3.12Å; V375-H379 PolarHBondContact O-N 3.4Å; V375-E383 HydrophobicContact CG1-CB 3.84Å; V375-E383 HydrophobicContact CG1-CG 3.47Å; V375-E383 VanDerWaalsContact CG1-CG 3.47Å; V375-E383 VanDerWaalsContact CG1-OE1 3.3Å; V375-E383 WeakPolarHBondContact CG1-OE1 3.28Å
376	I	88.7	Confident	87.8	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-43.9	174.7	-66.6	161.3	0	0	0	110.3	R21 L312 N372 K378 G380 H382	R21-I376 HydrophobicContact CG-CG2 3.69Å; L312-I376 HydrophobicContact CD2-CB 4.32Å; L312-I376 HydrophobicContact CD2-CG2 3.8Å; N372-I376 WeakPolarHBondContact O-CD1 3.15Å; N372-I376 WeakPolarHBondContact O-CG1 3.32Å; N372-I376 PolarHBondContact O-N 3.39Å; I376-K378 VanDerWaalsContact C-N 3.29Å; I376-K378 PolarHBondContact O-N 3.04Å; I376-G380 WeakPolarHBondContact O-CA 3.38Å; I376-G380 PolarHBondContact O-N 3.45Å; I376-H382 VanDerWaalsContact CD1-CE1 3.43Å; I376-H382 WeakPolarHBondContact CD1-CE1 2.98Å
377	G	89.8	Confident	87.2	Confident	6 Å²	6	47.5 Å²	47.5	6%	0.062	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-32.6	177.7	0	0	0	0	0	113.9	S310 Y311 Y373 Y374 V375	S310-G377 WeakPolarHBondContact CA-O 3.27Å; Y311-G377 WeakPolarHBondContact CD2-O 3.47Å; Y311-G377 PolarHBondContact N-O 3.17Å; Y373-G377 PolarHBondContact O-N 2.96Å; Y374-G377 PolarHBondContact O-N 2.85Å; V375-G377 VanDerWaalsContact C-N 3.29Å; V375-G377 PolarHBondContact O-N 3.35Å
378	K	87.9	Confident	86.8	Confident	126 Å²	126	47.7 Å²	47.7	55%	0.548	23%	0.233	S	C	.	.	H	α-helix	trans	-83.5	-50.5	-179.4	-170.6	177.7	178.9	-175.8	0	113.3	Y311 Y374 V375 I376	Y311-K378 WeakPolarHBondContact CD2-O 3.12Å; Y311-K378 WeakPolarHBondContact CE2-O 3.39Å; Y374-K378 PolarHBondContact O-N 2.95Å; V375-K378 PolarHBondContact O-N 3.01Å; V375-K378 VanDerWaalsContact O-N 3.12Å; I376-K378 VanDerWaalsContact C-N 3.29Å; I376-K378 PolarHBondContact O-N 3.04Å
379	H	84.1	Confident	86.5	Confident	71 Å²	71	49.1 Å²	49.1	33%	0.329	24%	0.241	S	C	.	.	H	α-helix	trans	-94.1	-17.5	-173	-60.2	125.8	0	0	0	113.2	K22 V375 A381 E383	K22-H379 WeakPolarHBondContact CE-O 3.49Å; K22-H379 PolarHBondContact NZ-O 3.45Å; V375-H379 PolarHBondContact O-N 3.4Å; H379-A381 PolarHBondContact O-N 2.94Å; H379-E383 IonicContact CE1-OE1 3.65Å; H379-E383 PolarHBondContact CE1-OE1 2.92Å; H379-E383 IonicContact CG-OE1 3.82Å; H379-E383 IonicContact ND1-OE1 3.15Å; H379-E383 PolarHBondContact ND1-OE1 2.87Å
380	G	79.7	Confident	86.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	71.6	14	-171.9	0	0	0	0	0	112.8	S20 R21 K22 Y311 I376	S20-G380 CarbonylContact C-O 3.53Å; R21-G380 CarbonylContact C-O 3.52Å; R21-G380 WeakPolarHBondContact CA-O 3.3Å; R21-G380 PolarHBondContact N-O 3.48Å; K22-G380 PolarHBondContact N-O 3.16Å; Y311-G380 VanDerWaalsContact CD2-N 3.28Å; I376-G380 WeakPolarHBondContact O-CA 3.38Å; I376-G380 PolarHBondContact O-N 3.45Å
381	A	77.2	Confident	86	Confident	26 Å²	26	48 Å²	48	22%	0.215	23%	0.234	C	C	.	.	S	Bend	trans	-136.6	146.1	-174.6	0	0	0	0	0	111.9	S20 H379 E383	S20-A381 WeakPolarHBondContact OG-CA 3.3Å; S20-A381 WeakPolarHBondContact OG-CB 3.44Å; H379-A381 PolarHBondContact O-N 2.94Å; A381-E383 PolarHBondContact O-N 2.99Å
382	H	74	Confident	85.7	Confident	31 Å²	31	47.6 Å²	47.6	14%	0.144	23%	0.23	C	C	.	.			trans	-73.8	116.8	168.3	-75.3	-115.8	0	0	0	107.1	L18 S20 I376 A387 E446	L18-H382 HydrophobicContact CB-CB 4.19Å; S20-H382 PolarHBondContact OG-N 3.47Å; S20-H382 VanDerWaalsContact OG-N 3.15Å; I376-H382 VanDerWaalsContact CD1-CE1 3.43Å; I376-H382 WeakPolarHBondContact CD1-CE1 2.98Å; H382-A387 HydrophobicContact CB-CB 4.46Å; H382-E446 IonicContact CE1-OE1 3.06Å; H382-E446 IonicContact CG-OE1 2.99Å; H382-E446 IonicContact ND1-OE1 3.16Å; H382-E446 PolarHBondContact ND1-OE1 3.46Å; H382-E446 VanDerWaalsContact ND1-OE1 3.15Å
383	E	78.3	Confident	85.7	Confident	70 Å²	70	48.3 Å²	48.3	33%	0.327	23%	0.234	S	C	.	.			trans	-79.5	121.7	168.8	-76.2	-178.3	-155.1	0	0	108.9	V375 H379 A381 S385 W386 A387	V375-E383 HydrophobicContact CG1-CB 3.84Å; V375-E383 HydrophobicContact CG1-CG 3.47Å; V375-E383 VanDerWaalsContact CG1-CG 3.47Å; V375-E383 VanDerWaalsContact CG1-OE1 3.3Å; V375-E383 WeakPolarHBondContact CG1-OE1 3.28Å; H379-E383 IonicContact CE1-OE1 3.65Å; H379-E383 PolarHBondContact CE1-OE1 2.92Å; H379-E383 IonicContact CG-OE1 3.82Å; H379-E383 IonicContact ND1-OE1 3.15Å; H379-E383 PolarHBondContact ND1-OE1 2.87Å; A381-E383 PolarHBondContact O-N 2.99Å; E383-S385 PolarHBondContact O-N 3.47Å; E383-W386 PolarHBondContact O-N 3.36Å; E383-W386 VanDerWaalsContact O-N 3.1Å; E383-A387 PolarHBondContact O-N 3.03Å; E383-A387 VanDerWaalsContact O-N 3.08Å
384	E	76.8	Confident	85.6	Confident	134 Å²	134	47.1 Å²	47.1	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-50.3	-41.2	-170.6	-60.7	-176.7	162.3	0	0	112.7	L18 V388	L18-E384 HydrophobicContact CD1-CB 4.42Å; L18-E384 HydrophobicContact CD1-CG 4.33Å; E384-V388 VanDerWaalsContact O-CB 3.3Å; E384-V388 WeakPolarHBondContact O-CB 3.15Å; E384-V388 WeakPolarHBondContact O-CG2 3.41Å; E384-V388 PolarHBondContact O-N 3.48Å
385	S	83	Confident	85.4	Confident	86 Å²	86	40.6 Å²	40.6	60%	0.601	20%	0.204	S	C	*	.	H	α-helix	trans	-64.4	-48.1	-177.8	-66	0	0	0	0	112.9	E383 M389	E383-S385 PolarHBondContact O-N 3.47Å; S385-M389 VanDerWaalsContact O-CG 3.27Å; S385-M389 WeakPolarHBondContact O-CG 3.45Å; S385-M389 PolarHBondContact O-N 3.37Å
386	W	86.2	Confident	85.3	Confident	99 Å²	99	43.7 Å²	43.7	38%	0.375	22%	0.22	S	C	.	.	H	α-helix	trans	-72.8	-39.2	-177.6	-63.7	112.4	0	0	0	111.9	F368 V371 E383 M389 Y390	F368-W386 HydrophobicContact CD1-CE3 4.41Å; F368-W386 HydrophobicContact CD1-CZ3 4.38Å; F368-W386 HydrophobicContact CE1-CZ3 4.41Å; V371-W386 HydrophobicContact CB-CE3 4.27Å; V371-W386 HydrophobicContact CG1-CD2 3.51Å; V371-W386 HydrophobicContact CG1-CE3 3.54Å; V371-W386 HydrophobicContact CG1-CG 3.98Å; V371-W386 HydrophobicContact CG1-CH2 4.26Å; V371-W386 HydrophobicContact CG1-CZ2 4.24Å; V371-W386 HydrophobicContact CG1-CZ3 3.93Å; E383-W386 PolarHBondContact O-N 3.36Å; E383-W386 VanDerWaalsContact O-N 3.1Å; W386-M389 PolarHBondContact O-N 3.22Å; W386-Y390 PolarHBondContact O-N 3.08Å
387	A	84.9	Confident	85.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-48.6	176.2	0	0	0	0	0	111	L18 H382 E383 M389 Y390 Y391	L18-A387 HydrophobicContact CD1-CB 4.05Å; H382-A387 HydrophobicContact CB-CB 4.46Å; E383-A387 PolarHBondContact O-N 3.03Å; E383-A387 VanDerWaalsContact O-N 3.08Å; A387-M389 PolarHBondContact O-N 2.87Å; A387-Y390 WeakPolarHBondContact O-CB 3.27Å; A387-Y390 PolarHBondContact O-N 3.31Å; A387-Y391 HydrophobicContact CB-CE2 3.87Å; A387-Y391 WeakPolarHBondContact O-CD2 3.3Å; A387-Y391 PolarHBondContact O-N 3.1Å
388	V	86.6	Confident	85.4	Confident	24 Å²	24	45.2 Å²	45.2	15%	0.145	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-42.6	178.4	170.6	0	0	0	0	111.9	E384 Y390 Y391 I392	E384-V388 VanDerWaalsContact O-CB 3.3Å; E384-V388 WeakPolarHBondContact O-CB 3.15Å; E384-V388 WeakPolarHBondContact O-CG2 3.41Å; E384-V388 PolarHBondContact O-N 3.48Å; V388-Y390 VanDerWaalsContact C-N 3.35Å; V388-Y390 PolarHBondContact O-N 2.91Å; V388-Y391 PolarHBondContact O-N 3.43Å; V388-I392 HydrophobicContact CG1-CD1 3.72Å; V388-I392 HydrophobicContact CG1-CG1 4.31Å; V388-I392 WeakPolarHBondContact O-CG1 3.48Å; V388-I392 PolarHBondContact O-N 3.27Å
389	M	88.7	Confident	85.3	Confident	85 Å²	85	40.2 Å²	40.2	42%	0.419	21%	0.207	S	C	.	.	H	α-helix	trans	-63	-41.7	177.3	-68.4	-59.2	136.5	0	0	112.2	F368 S385 W386 A387 T393	F368-M389 HydrophobicContact CD1-CB 4.14Å; F368-M389 HydrophobicContact CD2-CB 4.09Å; F368-M389 HydrophobicContact CE1-CB 4.28Å; F368-M389 HydrophobicContact CE2-CB 4.2Å; F368-M389 HydrophobicContact CG-CB 4.07Å; F368-M389 HydrophobicContact CZ-CB 4.3Å; S385-M389 VanDerWaalsContact O-CG 3.27Å; S385-M389 WeakPolarHBondContact O-CG 3.45Å; S385-M389 PolarHBondContact O-N 3.37Å; W386-M389 PolarHBondContact O-N 3.22Å; A387-M389 PolarHBondContact O-N 2.87Å; M389-T393 WeakPolarHBondContact O-CB 3.25Å; M389-T393 WeakPolarHBondContact O-CG2 3.34Å; M389-T393 PolarHBondContact O-N 2.92Å; M389-T393 VanDerWaalsContact O-N 3.1Å; M389-T393 PolarHBondContact O-OG1 3.45Å
390	Y	89.1	Confident	85.6	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-46.7	172.7	164.8	-114.9	0	0	0	111.2	H369 W386 A387 V388 I392 T393 H394 E445	H369-Y390 HydrophobicContact CB-CD2 3.63Å; H369-Y390 HydrophobicContact CB-CE2 3.68Å; H369-Y390 AromaticContact CD2-CD2 3.79Å; H369-Y390 AromaticContact CD2-CE1 3.86Å; H369-Y390 AromaticContact CD2-CE2 3.38Å; H369-Y390 WeakPolarHBondContact CD2-CE2 3.37Å; H369-Y390 AromaticContact CD2-CZ 3.44Å; H369-Y390 VanDerWaalsContact CD2-CZ 3.44Å; H369-Y390 AromaticContact CE1-CZ 3.9Å; H369-Y390 AromaticContact CG-CD2 3.84Å; H369-Y390 AromaticContact CG-CE2 3.43Å; H369-Y390 VanDerWaalsContact CG-CE2 3.43Å; H369-Y390 AromaticContact CG-CZ 3.93Å; H369-Y390 AromaticContact ND1-CE2 3.87Å; H369-Y390 AromaticContact NE2-CE1 3.95Å; H369-Y390 AromaticContact NE2-CE2 3.79Å; H369-Y390 AromaticContact NE2-CZ 3.43Å; H369-Y390 PolarHBondContact NE2-OH 3.44Å; W386-Y390 PolarHBondContact O-N 3.08Å; A387-Y390 WeakPolarHBondContact O-CB 3.27Å; A387-Y390 PolarHBondContact O-N 3.31Å; V388-Y390 VanDerWaalsContact C-N 3.35Å; V388-Y390 PolarHBondContact O-N 2.91Å; Y390-I392 PolarHBondContact O-N 3.19Å; Y390-T393 PolarHBondContact O-N 3.16Å; Y390-T393 PolarHBondContact O-OG1 2.93Å; Y390-H394 HydrophobicContact CE2-CB 4.16Å; Y390-H394 AromaticContact CZ-CD2 3.98Å; Y390-H394 WeakPolarHBondContact O-CB 3.48Å; Y390-H394 PolarHBondContact O-N 3.04Å; Y390-H394 PolarHBondContact OH-CD2 2.9Å; Y390-E445 VanDerWaalsContact CE1-OE2 3.29Å; Y390-E445 WeakPolarHBondContact CE1-OE2 3.22Å; Y390-E445 PolarHBondContact OH-OE1 2.89Å; Y390-E445 PolarHBondContact OH-OE2 3.41Å
391	Y	88.7	Confident	86.1	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-44.2	-179.3	-61.8	-32.1	0	0	0	113.8	L18 A387 V388 T393 H394 I395 I442 E446	L18-Y391 HydrophobicContact CD2-CE2 4.48Å; A387-Y391 HydrophobicContact CB-CE2 3.87Å; A387-Y391 WeakPolarHBondContact O-CD2 3.3Å; A387-Y391 PolarHBondContact O-N 3.1Å; V388-Y391 PolarHBondContact O-N 3.43Å; Y391-T393 PolarHBondContact O-N 3.35Å; Y391-H394 PolarHBondContact O-N 3.42Å; Y391-I395 WeakPolarHBondContact O-CG1 3.21Å; Y391-I395 PolarHBondContact O-N 2.89Å; Y391-I395 VanDerWaalsContact O-N 3.08Å; Y391-I442 HydrophobicContact CD1-CB 4.25Å; Y391-I442 HydrophobicContact CD1-CD1 4.23Å; Y391-I442 HydrophobicContact CD1-CG1 3.71Å; Y391-I442 HydrophobicContact CD1-CG2 3.71Å; Y391-I442 HydrophobicContact CD2-CG2 3.94Å; Y391-I442 HydrophobicContact CE1-CG1 4.37Å; Y391-I442 HydrophobicContact CE1-CG2 3.94Å; Y391-I442 HydrophobicContact CE2-CG2 4.18Å; Y391-I442 HydrophobicContact CG-CD1 4.27Å; Y391-I442 HydrophobicContact CG-CG1 4.17Å; Y391-I442 HydrophobicContact CG-CG2 3.73Å; Y391-E446 HydrophobicContact CE2-CG 3.88Å; Y391-E446 WeakPolarHBondContact CE2-OE1 3.42Å; Y391-E446 VanDerWaalsContact CZ-OE1 3.25Å; Y391-E446 VanDerWaalsContact OH-CD 3.26Å; Y391-E446 WeakPolarHBondContact OH-CG 3.49Å; Y391-E446 PolarHBondContact OH-OE1 2.88Å
392	I	89.1	Confident	86.5	Confident	41 Å²	41	39.5 Å²	39.5	21%	0.21	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-50.9	176.5	-68.5	169.1	0	0	0	109.8	F8 V11 V388 Y390 H394 I395 I396	F8-I392 HydrophobicContact CD2-CD1 4.4Å; F8-I392 HydrophobicContact CE2-CD1 4.26Å; V11-I392 HydrophobicContact CG1-CG1 4.41Å; V388-I392 HydrophobicContact CG1-CD1 3.72Å; V388-I392 HydrophobicContact CG1-CG1 4.31Å; V388-I392 WeakPolarHBondContact O-CG1 3.48Å; V388-I392 PolarHBondContact O-N 3.27Å; Y390-I392 PolarHBondContact O-N 3.19Å; I392-H394 VanDerWaalsContact C-N 3.33Å; I392-H394 PolarHBondContact O-N 3.48Å; I392-I395 PolarHBondContact O-N 3.05Å; I392-I396 HydrophobicContact CG2-CD1 3.79Å; I392-I396 VanDerWaalsContact O-CG1 3.3Å; I392-I396 WeakPolarHBondContact O-CG1 3.33Å; I392-I396 PolarHBondContact O-N 3.04Å; I392-I396 VanDerWaalsContact O-N 3.11Å
393	T	90.5	Very high	87	Confident	19 Å²	19	40.5 Å²	40.5	12%	0.117	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-32.5	-178.8	55.8	0	0	0	0	112.9	I364 F368 M389 Y390 Y391 I396 R397	I364-T393 HydrophobicContact CG2-CG2 4.06Å; F368-T393 HydrophobicContact CD2-CG2 3.59Å; F368-T393 HydrophobicContact CE2-CG2 3.62Å; M389-T393 WeakPolarHBondContact O-CB 3.25Å; M389-T393 WeakPolarHBondContact O-CG2 3.34Å; M389-T393 PolarHBondContact O-N 2.92Å; M389-T393 VanDerWaalsContact O-N 3.1Å; M389-T393 PolarHBondContact O-OG1 3.45Å; Y390-T393 PolarHBondContact O-N 3.16Å; Y390-T393 PolarHBondContact O-OG1 2.93Å; Y391-T393 PolarHBondContact O-N 3.35Å; T393-I396 PolarHBondContact O-N 3.26Å; T393-R397 WeakPolarHBondContact O-CB 3.4Å; T393-R397 PolarHBondContact O-N 3.35Å
394	H	89.3	Confident	87.4	Confident	9 Å²	9	37.6 Å²	37.6	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-45.8	174.9	-177.1	-89	0	0	0	111.7	Y390 Y391 I392 R397 G398	Y390-H394 HydrophobicContact CE2-CB 4.16Å; Y390-H394 AromaticContact CZ-CD2 3.98Å; Y390-H394 WeakPolarHBondContact O-CB 3.48Å; Y390-H394 PolarHBondContact O-N 3.04Å; Y390-H394 PolarHBondContact OH-CD2 2.9Å; Y391-H394 PolarHBondContact O-N 3.42Å; I392-H394 VanDerWaalsContact C-N 3.33Å; I392-H394 PolarHBondContact O-N 3.48Å; H394-R397 PolarHBondContact CD2-NH2 3.17Å; H394-R397 PolarHBondContact NE2-NH2 2.94Å; H394-R397 PolarHBondContact O-N 2.84Å; H394-G398 PolarHBondContact O-N 2.98Å
395	I	89	Confident	87.9	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-46.8	177.2	-65.1	167.1	0	0	0	111	V7 V11 Y391 I392 R397 G398 A399 N438 I439 I442	V7-I395 HydrophobicContact CG1-CB 4.47Å; V7-I395 HydrophobicContact CG1-CD1 3.99Å; V7-I395 HydrophobicContact CG1-CG2 3.78Å; V11-I395 HydrophobicContact CG2-CD1 3.27Å; Y391-I395 WeakPolarHBondContact O-CG1 3.21Å; Y391-I395 PolarHBondContact O-N 2.89Å; Y391-I395 VanDerWaalsContact O-N 3.08Å; I392-I395 PolarHBondContact O-N 3.05Å; I395-R397 VanDerWaalsContact C-N 3.32Å; I395-R397 PolarHBondContact O-N 3.02Å; I395-G398 PolarHBondContact O-N 3.4Å; I395-A399 WeakPolarHBondContact O-CB 3.46Å; I395-A399 PolarHBondContact O-N 3.21Å; I395-N438 HydrophobicContact CG1-CB 4.22Å; I395-I439 HydrophobicContact CD1-CG1 4.43Å; I395-I442 HydrophobicContact CD1-CD1 3.53Å; I395-I442 HydrophobicContact CG1-CD1 3.56Å
396	I	90.3	Very high	87.9	Confident	77 Å²	77	27.5 Å²	27.5	40%	0.395	14%	0.137	S	C	.	.	H	α-helix	trans	-60.6	-45.1	179.5	-63.8	168.8	0	0	0	109.9	V361 I392 T393 G398 A399 L400	V361-I396 HydrophobicContact CG1-CB 4.38Å; V361-I396 HydrophobicContact CG1-CG2 3.98Å; I392-I396 HydrophobicContact CG2-CD1 3.79Å; I392-I396 VanDerWaalsContact O-CG1 3.3Å; I392-I396 WeakPolarHBondContact O-CG1 3.33Å; I392-I396 PolarHBondContact O-N 3.04Å; I392-I396 VanDerWaalsContact O-N 3.11Å; T393-I396 PolarHBondContact O-N 3.26Å; I396-G398 PolarHBondContact O-N 3.3Å; I396-A399 PolarHBondContact O-N 3.05Å; I396-L400 HydrophobicContact CG2-CD1 3.71Å; I396-L400 HydrophobicContact CG2-CG 4.18Å; I396-L400 WeakPolarHBondContact O-CB 3.26Å; I396-L400 VanDerWaalsContact O-CG 3.26Å; I396-L400 WeakPolarHBondContact O-CG 3.46Å; I396-L400 PolarHBondContact O-N 3.08Å
397	R	91.6	Very high	87.6	Confident	40 Å²	40	24.2 Å²	24.2	15%	0.151	13%	0.126	C	C	.	.	H	α-helix	trans	-55.9	-51	175	-178	-152.1	73.5	178.4	0.5	111.3	V361 K362 T393 H394 I395 L401	V361-R397 HydrophobicContact CG1-CB 3.85Å; K362-R397 HydrophobicContact CB-CG 4.42Å; K362-R397 HydrophobicContact CD-CG 4.15Å; T393-R397 WeakPolarHBondContact O-CB 3.4Å; T393-R397 PolarHBondContact O-N 3.35Å; H394-R397 PolarHBondContact CD2-NH2 3.17Å; H394-R397 PolarHBondContact NE2-NH2 2.94Å; H394-R397 PolarHBondContact O-N 2.84Å; I395-R397 VanDerWaalsContact C-N 3.32Å; I395-R397 PolarHBondContact O-N 3.02Å; R397-L401 WeakPolarHBondContact O-CB 3.01Å; R397-L401 PolarHBondContact O-N 3.48Å
398	G	87.4	Confident	87.4	Confident	3 Å²	3	24.7 Å²	24.7	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-51.1	-179.9	0	0	0	0	0	112	H394 I395 I396 L400 L401 F402	H394-G398 PolarHBondContact O-N 2.98Å; I395-G398 PolarHBondContact O-N 3.4Å; I396-G398 PolarHBondContact O-N 3.3Å; G398-L400 PolarHBondContact O-N 2.96Å; G398-L401 PolarHBondContact O-N 2.92Å; G398-F402 VanDerWaalsContact O-CD2 3.22Å; G398-F402 WeakPolarHBondContact O-CD2 3.36Å; G398-F402 PolarHBondContact O-N 3.38Å
399	A	86.4	Confident	86.8	Confident	21 Å²	21	23.6 Å²	23.6	17%	0.174	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-47.6	179.3	0	0	0	0	0	112.3	I395 I396 L401 F402 I403	I395-A399 WeakPolarHBondContact O-CB 3.46Å; I395-A399 PolarHBondContact O-N 3.21Å; I396-A399 PolarHBondContact O-N 3.05Å; A399-L401 PolarHBondContact O-N 2.8Å; A399-F402 PolarHBondContact O-N 2.98Å; A399-I403 WeakPolarHBondContact O-CB 3.2Å; A399-I403 WeakPolarHBondContact O-CD1 3.43Å; A399-I403 WeakPolarHBondContact O-CG1 3.3Å; A399-I403 PolarHBondContact O-N 2.81Å
400	L	90.2	Very high	86	Confident	41 Å²	41	19.9 Å²	19.9	22%	0.215	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-41.7	179.6	-73.9	176.6	0	0	0	112.3	L354 V358 V361 I396 G398 T404	L354-L400 HydrophobicContact CD1-CD2 4.45Å; V358-L400 HydrophobicContact CG2-CB 4.1Å; V361-L400 HydrophobicContact CB-CD1 4.18Å; V361-L400 HydrophobicContact CG1-CD1 4.32Å; V361-L400 HydrophobicContact CG2-CD1 3.76Å; I396-L400 HydrophobicContact CG2-CD1 3.71Å; I396-L400 HydrophobicContact CG2-CG 4.18Å; I396-L400 WeakPolarHBondContact O-CB 3.26Å; I396-L400 VanDerWaalsContact O-CG 3.26Å; I396-L400 WeakPolarHBondContact O-CG 3.46Å; I396-L400 PolarHBondContact O-N 3.08Å; G398-L400 PolarHBondContact O-N 2.96Å; L400-T404 VanDerWaalsContact O-CB 3.3Å; L400-T404 WeakPolarHBondContact O-CB 3.16Å; L400-T404 PolarHBondContact O-N 3.02Å; L400-T404 PolarHBondContact O-OG1 3.24Å
401	L	89.8	Confident	84.9	Confident	19 Å²	19	19.8 Å²	19.8	10%	0.099	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-52	177.9	175.4	60.2	0	0	0	111	V358 R397 G398 A399 T404 I405 F547 F548	V358-L401 HydrophobicContact CG1-CB 4.47Å; V358-L401 HydrophobicContact CG1-CD1 4.17Å; R397-L401 WeakPolarHBondContact O-CB 3.01Å; R397-L401 PolarHBondContact O-N 3.48Å; G398-L401 PolarHBondContact O-N 2.92Å; A399-L401 PolarHBondContact O-N 2.8Å; L401-T404 WeakPolarHBondContact O-CB 3.37Å; L401-T404 PolarHBondContact O-N 3.07Å; L401-I405 HydrophobicContact CD1-CD1 3.91Å; L401-I405 HydrophobicContact CD1-CG1 4.31Å; L401-I405 HydrophobicContact CG-CD1 4.06Å; L401-I405 WeakPolarHBondContact O-CG1 3.47Å; L401-I405 PolarHBondContact O-N 3.39Å; L401-F547 HydrophobicContact CD1-CE1 4.36Å; L401-F548 HydrophobicContact CD1-CE1 3.47Å; L401-F548 VanDerWaalsContact CD1-CE1 3.47Å; L401-F548 HydrophobicContact CD1-CZ 3.8Å
402	F	85.8	Confident	83.5	Confident	22 Å²	22	25.8 Å²	25.8	10%	0.096	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-40.7	-177.8	-78.4	-68.2	0	0	0	112.9	G398 A399 T404 I405 L406 Q434 I472	G398-F402 VanDerWaalsContact O-CD2 3.22Å; G398-F402 WeakPolarHBondContact O-CD2 3.36Å; G398-F402 PolarHBondContact O-N 3.38Å; A399-F402 PolarHBondContact O-N 2.98Å; F402-T404 VanDerWaalsContact C-N 3.27Å; F402-T404 PolarHBondContact O-N 3.12Å; F402-I405 PolarHBondContact O-N 3.43Å; F402-L406 WeakPolarHBondContact O-CB 3.42Å; F402-L406 WeakPolarHBondContact O-CG 3.29Å; F402-L406 PolarHBondContact O-N 2.92Å; F402-Q434 HydrophobicContact CB-CG 4.07Å; F402-Q434 HydrophobicContact CD1-CG 4.27Å; F402-Q434 VanDerWaalsContact CD1-NE2 3.29Å; F402-Q434 HydrophobicContact CD2-CB 4.3Å; F402-Q434 HydrophobicContact CD2-CG 3.76Å; F402-Q434 HydrophobicContact CE2-CG 4.3Å; F402-Q434 VanDerWaalsContact CE2-OE1 3.27Å; F402-Q434 HydrophobicContact CG-CG 3.75Å; F402-I472 HydrophobicContact CD1-CD1 3.22Å; F402-I472 HydrophobicContact CD1-CG1 4.27Å; F402-I472 HydrophobicContact CE1-CD1 3.22Å; F402-I472 HydrophobicContact CG-CD1 4.46Å; F402-I472 HydrophobicContact CZ-CD1 4.46Å
403	I	84.4	Confident	81.8	Confident	52 Å²	52	25.8 Å²	25.8	27%	0.267	14%	0.135	S	C	.	.	H	α-helix	trans	-58.2	-43.8	173.4	-70.9	166.2	0	0	0	110.1	A399 L406 L407 V431	A399-I403 WeakPolarHBondContact O-CB 3.2Å; A399-I403 WeakPolarHBondContact O-CD1 3.43Å; A399-I403 WeakPolarHBondContact O-CG1 3.3Å; A399-I403 PolarHBondContact O-N 2.81Å; I403-L406 PolarHBondContact O-N 3.42Å; I403-L407 HydrophobicContact CG2-CD1 3.69Å; I403-L407 HydrophobicContact CG2-CG 4.23Å; I403-L407 WeakPolarHBondContact O-CB 3.32Å; I403-L407 WeakPolarHBondContact O-CG 3.03Å; I403-L407 PolarHBondContact O-N 3.17Å; I403-V431 HydrophobicContact CG1-CG2 4.15Å
404	T	87.6	Confident	79.8	Confident	8 Å²	8	26.8 Å²	26.8	5%	0.049	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-47.5	178.8	-56.6	0	0	0	0	111.4	I351 L354 M355 V358 L400 L401 F402 L406 L407 I408	I351-T404 HydrophobicContact CD1-CG2 4.31Å; L354-T404 HydrophobicContact CD2-CG2 4.17Å; L354-T404 WeakPolarHBondContact CD2-OG1 3.44Å; L354-T404 HydrophobicContact CG-CG2 4.33Å; L354-T404 WeakPolarHBondContact CG-OG1 3.36Å; M355-T404 HydrophobicContact CG-CG2 4.21Å; V358-T404 HydrophobicContact CG2-CG2 4.36Å; V358-T404 WeakPolarHBondContact CG2-OG1 3.38Å; L400-T404 VanDerWaalsContact O-CB 3.3Å; L400-T404 WeakPolarHBondContact O-CB 3.16Å; L400-T404 PolarHBondContact O-N 3.02Å; L400-T404 PolarHBondContact O-OG1 3.24Å; L401-T404 WeakPolarHBondContact O-CB 3.37Å; L401-T404 PolarHBondContact O-N 3.07Å; F402-T404 VanDerWaalsContact C-N 3.27Å; F402-T404 PolarHBondContact O-N 3.12Å; T404-L406 VanDerWaalsContact C-N 3.35Å; T404-L406 PolarHBondContact O-N 2.89Å; T404-L407 PolarHBondContact O-N 3.38Å; T404-I408 HydrophobicContact CG2-CD1 3.88Å; T404-I408 WeakPolarHBondContact O-CD1 3.32Å; T404-I408 WeakPolarHBondContact O-CG1 3.26Å; T404-I408 PolarHBondContact O-N 3.46Å
405	I	87.1	Confident	77.9	Confident	8 Å²	8	28.7 Å²	28.7	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-44.2	177.5	-66.9	170.9	0	0	0	111.1	L401 F402 I408 G409 I472 F506 V510 F547	L401-I405 HydrophobicContact CD1-CD1 3.91Å; L401-I405 HydrophobicContact CD1-CG1 4.31Å; L401-I405 HydrophobicContact CG-CD1 4.06Å; L401-I405 WeakPolarHBondContact O-CG1 3.47Å; L401-I405 PolarHBondContact O-N 3.39Å; F402-I405 PolarHBondContact O-N 3.43Å; I405-I408 PolarHBondContact O-N 2.65Å; I405-G409 PolarHBondContact O-N 3.48Å; I405-I472 HydrophobicContact CG2-CG2 3.69Å; I405-F506 HydrophobicContact CG2-CZ 4.39Å; I405-V510 HydrophobicContact CG2-CG1 4.43Å; I405-V510 HydrophobicContact CG2-CG2 4.29Å; I405-F547 HydrophobicContact CD1-CE1 4.04Å; I405-F547 HydrophobicContact CD1-CZ 3.85Å; I405-F547 HydrophobicContact CG1-CE1 4.38Å; I405-F547 HydrophobicContact CG1-CZ 4.07Å
406	L	82.3	Confident	75.9	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-42	178.6	-73	175.3	0	0	0	112.3	F402 I403 T404 I408 G409 A410 F427 V430 V431 I472 P475	F402-L406 WeakPolarHBondContact O-CB 3.42Å; F402-L406 WeakPolarHBondContact O-CG 3.29Å; F402-L406 PolarHBondContact O-N 2.92Å; I403-L406 PolarHBondContact O-N 3.42Å; T404-L406 VanDerWaalsContact C-N 3.35Å; T404-L406 PolarHBondContact O-N 2.89Å; L406-I408 VanDerWaalsContact C-N 3.31Å; L406-I408 PolarHBondContact O-N 3.49Å; L406-G409 PolarHBondContact O-N 3.04Å; L406-A410 VanDerWaalsContact O-CB 3.31Å; L406-A410 WeakPolarHBondContact O-CB 3.45Å; L406-A410 PolarHBondContact O-N 2.93Å; L406-F427 VanDerWaalsContact C-CZ 3.48Å; L406-F427 HydrophobicContact CB-CD1 4.25Å; L406-F427 HydrophobicContact CB-CE1 3.54Å; L406-F427 HydrophobicContact CB-CE2 3.97Å; L406-F427 HydrophobicContact CB-CZ 3.42Å; L406-F427 VanDerWaalsContact CB-CZ 3.42Å; L406-F427 HydrophobicContact CD1-CD1 4.05Å; L406-F427 HydrophobicContact CD1-CE1 4.16Å; L406-F427 HydrophobicContact CD1-CG 4.3Å; L406-F427 WeakPolarHBondContact O-CZ 3.28Å; L406-V430 HydrophobicContact CD1-CB 4.19Å; L406-V430 HydrophobicContact CD1-CG1 3.67Å; L406-V430 HydrophobicContact CD2-CG1 4.47Å; L406-V430 HydrophobicContact CG-CG1 4.49Å; L406-V431 HydrophobicContact CD1-CG2 4.47Å; L406-I472 HydrophobicContact CD2-CB 4.35Å; L406-I472 HydrophobicContact CD2-CG1 4.02Å; L406-I472 HydrophobicContact CD2-CG2 4.35Å; L406-P475 HydrophobicContact CD2-CG 4.17Å
407	L	80.6	Confident	74	Confident	30 Å²	30	41 Å²	41	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-39.2	177.4	-73.6	171.7	0	0	0	111.5	L354 I403 T404 G411 W412 F427	L354-L407 HydrophobicContact CD2-CD1 3.55Å; I403-L407 HydrophobicContact CG2-CD1 3.69Å; I403-L407 HydrophobicContact CG2-CG 4.23Å; I403-L407 WeakPolarHBondContact O-CB 3.32Å; I403-L407 WeakPolarHBondContact O-CG 3.03Å; I403-L407 PolarHBondContact O-N 3.17Å; T404-L407 PolarHBondContact O-N 3.38Å; L407-G411 PolarHBondContact O-N 3.11Å; L407-W412 HydrophobicContact CB-CB 4.17Å; L407-W412 HydrophobicContact CD2-CB 3.81Å; L407-W412 HydrophobicContact CD2-CD2 3.79Å; L407-W412 HydrophobicContact CD2-CE3 4.28Å; L407-W412 HydrophobicContact CD2-CG 3.61Å; L407-W412 VanDerWaalsContact O-CB 3.29Å; L407-W412 WeakPolarHBondContact O-CB 3.27Å; L407-W412 PolarHBondContact O-N 3.41Å; L407-F427 HydrophobicContact CD2-CE1 3.95Å; L407-F427 HydrophobicContact CD2-CZ 4.16Å; L407-F427 HydrophobicContact CG-CE1 4.14Å; L407-F427 HydrophobicContact CG-CZ 4.46Å
408	I	80.1	Confident	72.1	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.046	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-47.1	173.2	-65.4	165.5	0	0	0	110.3	I351 M355 T404 I405 L406 A410 G411 F506 V551 F555	I351-I408 HydrophobicContact CD1-CD1 4.49Å; I351-I408 HydrophobicContact CD1-CG1 3.85Å; I351-I408 HydrophobicContact CG1-CG1 4.17Å; M355-I408 HydrophobicContact CE-CD1 3.37Å; M355-I408 HydrophobicContact CE-CG1 3.99Å; T404-I408 HydrophobicContact CG2-CD1 3.88Å; T404-I408 WeakPolarHBondContact O-CD1 3.32Å; T404-I408 WeakPolarHBondContact O-CG1 3.26Å; T404-I408 PolarHBondContact O-N 3.46Å; I405-I408 PolarHBondContact O-N 2.65Å; L406-I408 VanDerWaalsContact C-N 3.31Å; L406-I408 PolarHBondContact O-N 3.49Å; I408-A410 PolarHBondContact O-N 3.5Å; I408-G411 WeakPolarHBondContact O-CA 3.4Å; I408-G411 PolarHBondContact O-N 3.27Å; I408-F506 HydrophobicContact CB-CE1 4.1Å; I408-F506 HydrophobicContact CB-CE2 4.41Å; I408-F506 HydrophobicContact CB-CZ 3.78Å; I408-F506 HydrophobicContact CD1-CZ 4.46Å; I408-F506 HydrophobicContact CG2-CD1 3.97Å; I408-F506 HydrophobicContact CG2-CD2 4.1Å; I408-F506 HydrophobicContact CG2-CE1 3.51Å; I408-F506 HydrophobicContact CG2-CE2 3.64Å; I408-F506 HydrophobicContact CG2-CG 4.24Å; I408-F506 HydrophobicContact CG2-CZ 3.32Å; I408-V551 HydrophobicContact CD1-CG1 4.12Å; I408-F555 HydrophobicContact CB-CZ 4.48Å; I408-F555 HydrophobicContact CG2-CD1 4.34Å; I408-F555 HydrophobicContact CG2-CE1 3.43Å; I408-F555 VanDerWaalsContact CG2-CE1 3.43Å; I408-F555 HydrophobicContact CG2-CE2 3.7Å; I408-F555 HydrophobicContact CG2-CZ 3.06Å
409	G	75.4	Confident	70.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-37.5	-176.7	0	0	0	0	0	114.1	I405 L406 G411 S479	I405-G409 PolarHBondContact O-N 3.48Å; L406-G409 PolarHBondContact O-N 3.04Å; G409-G411 PolarHBondContact O-N 3.19Å; G409-S479 PolarHBondContact O-OG 2.89Å
410	A	71.7	Confident	69.8	Low	7 Å²	7	47.7 Å²	47.7	6%	0.058	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.4	172.4	0	0	0	0	0	112.7	L406 I408 F427	L406-A410 VanDerWaalsContact O-CB 3.31Å; L406-A410 WeakPolarHBondContact O-CB 3.45Å; L406-A410 PolarHBondContact O-N 2.93Å; I408-A410 PolarHBondContact O-N 3.5Å; A410-F427 HydrophobicContact CB-CE2 3.99Å; A410-F427 HydrophobicContact CB-CZ 4.19Å
411	G	66.4	Low	69	Low	3 Å²	3	49.1 Å²	49.1	3%	0.031	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	37.5	-176.4	0	0	0	0	0	112.6	L407 I408 G409 A413 F414	L407-G411 PolarHBondContact O-N 3.11Å; I408-G411 WeakPolarHBondContact O-CA 3.4Å; I408-G411 PolarHBondContact O-N 3.27Å; G409-G411 PolarHBondContact O-N 3.19Å; G411-A413 PolarHBondContact O-N 3Å; G411-F414 WeakPolarHBondContact O-CA 3.19Å; G411-F414 WeakPolarHBondContact O-CB 3.19Å; G411-F414 PolarHBondContact O-N 3.47Å
412	W	58.3	Low	68.2	Low	126 Å²	126	51.5 Å²	51.5	48%	0.477	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17	-179.3	-172.4	-88.1	0	0	0	113.8	L407 F414 L419	L407-W412 HydrophobicContact CB-CB 4.17Å; L407-W412 HydrophobicContact CD2-CB 3.81Å; L407-W412 HydrophobicContact CD2-CD2 3.79Å; L407-W412 HydrophobicContact CD2-CE3 4.28Å; L407-W412 HydrophobicContact CD2-CG 3.61Å; L407-W412 VanDerWaalsContact O-CB 3.29Å; L407-W412 WeakPolarHBondContact O-CB 3.27Å; L407-W412 PolarHBondContact O-N 3.41Å; W412-F414 PolarHBondContact O-N 3.33Å; W412-L419 HydrophobicContact CE3-CD1 3.81Å; W412-L419 HydrophobicContact CE3-CG 3.81Å; W412-L419 HydrophobicContact CH2-CD1 3.81Å; W412-L419 HydrophobicContact CH2-CG 4.47Å; W412-L419 HydrophobicContact CZ3-CB 4.28Å; W412-L419 HydrophobicContact CZ3-CD1 3.13Å; W412-L419 HydrophobicContact CZ3-CG 3.39Å
413	A	53.9	Low	67.5	Low	42 Å²	42	51 Å²	51	35%	0.347	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.3	168.9	0	0	0	0	0	113.7	G411 L564	G411-A413 PolarHBondContact O-N 3Å; A413-L564 HydrophobicContact CB-CD2 3.88Å
414	F	48.1	Very low	67.1	Low	39 Å²	39	55.4 Å²	55.4	17%	0.171	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-21.9	-172	-65.2	-79.5	0	0	0	115.1	G411 W412 L502 F503 P562 Y563 V566	G411-F414 WeakPolarHBondContact O-CA 3.19Å; G411-F414 WeakPolarHBondContact O-CB 3.19Å; G411-F414 PolarHBondContact O-N 3.47Å; W412-F414 PolarHBondContact O-N 3.33Å; F414-L502 HydrophobicContact CZ-CD2 4.46Å; F414-F503 HydrophobicContact CD2-CE2 4.31Å; F414-F503 AromaticContact CD2-CZ 3.75Å; F414-F503 HydrophobicContact CD2-CZ 3.75Å; F414-F503 HydrophobicContact CE2-CE1 4.42Å; F414-F503 AromaticContact CE2-CE2 3.83Å; F414-F503 HydrophobicContact CE2-CE2 3.83Å; F414-F503 AromaticContact CE2-CZ 3.46Å; F414-F503 HydrophobicContact CE2-CZ 3.46Å; F414-F503 VanDerWaalsContact CE2-CZ 3.46Å; F414-F503 HydrophobicContact CZ-CE2 4.23Å; F414-F503 HydrophobicContact CZ-CZ 4.31Å; F414-P562 WeakPolarHBondContact CE1-O 3.24Å; F414-P562 VanDerWaalsContact CZ-O 3.25Å; F414-P562 WeakPolarHBondContact CZ-O 3.19Å; F414-Y563 VanDerWaalsContact CE1-C 3.43Å; F414-Y563 WeakPolarHBondContact CE1-O 3.36Å; F414-Y563 WeakPolarHBondContact CE2-O 3.19Å; F414-Y563 WeakPolarHBondContact CZ-O 3.47Å; F414-V566 HydrophobicContact CD1-CB 4.34Å; F414-V566 HydrophobicContact CD1-CG2 3.66Å; F414-V566 HydrophobicContact CE1-CG2 4.08Å
415	I	50.3	Low	66.8	Low	50 Å²	50	59 Å²	59	26%	0.256	28%	0.282	S	S	.	.			trans	-121	99	-172.6	-55.5	174	0	0	0	109.4	H417 M577	I415-H417 PolarHBondContact O-N 3Å; I415-H417 VanDerWaalsContact O-N 3.08Å; I415-M577 HydrophobicContact CD1-CE 4.39Å
416	K	46.6	Very low	66.5	Low	160 Å²	160	59.6 Å²	59.6	70%	0.696	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	110.2	169.1	-89.1	176.8	174.6	170.7	0	108.1	D568	K416-D568 IonicContact NZ-OD1 2.91Å; K416-D568 PolarHBondContact NZ-OD1 3Å; K416-D568 IonicContact NZ-OD2 2.73Å
417	H	50.6	Low	66.5	Low	179 Å²	179	60.8 Å²	60.8	83%	0.829	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	61	161.9	-86.8	51.4	0	0	0	117.1	I415	I415-H417 PolarHBondContact O-N 3Å; I415-H417 VanDerWaalsContact O-N 3.08Å
418	M	50.8	Low	66.6	Low	158 Å²	158	65 Å²	65	78%	0.778	31%	0.313	S	S	*	.			trans	174	114.7	136.8	-97.6	168.3	164.1	0	0	110.2	T420	M418-T420 PolarHBondContact O-N 2.76Å
419	L	61.7	Low	66.8	Low	39 Å²	39	69.1 Å²	69.1	20%	0.204	33%	0.334	C	S	.	.			trans	-58	130	157	-85.3	127.4	0	0	0	106.2	W412 E423 R424 F427	W412-L419 HydrophobicContact CE3-CD1 3.81Å; W412-L419 HydrophobicContact CE3-CG 3.81Å; W412-L419 HydrophobicContact CH2-CD1 3.81Å; W412-L419 HydrophobicContact CH2-CG 4.47Å; W412-L419 HydrophobicContact CZ3-CB 4.28Å; W412-L419 HydrophobicContact CZ3-CD1 3.13Å; W412-L419 HydrophobicContact CZ3-CG 3.39Å; L419-E423 HydrophobicContact CB-CB 4.37Å; L419-E423 HydrophobicContact CD2-CB 3.62Å; L419-R424 HydrophobicContact CB-CB 4.01Å; L419-F427 HydrophobicContact CD2-CD2 3.54Å; L419-F427 HydrophobicContact CD2-CE2 3.42Å; L419-F427 VanDerWaalsContact CD2-CE2 3.42Å; L419-F427 HydrophobicContact CD2-CG 4.2Å; L419-F427 HydrophobicContact CD2-CZ 4Å
420	T	64.7	Low	67.2	Low	8 Å²	8	69.1 Å²	69.1	5%	0.049	33%	0.334	C	S	.	.			trans	-51.7	141.6	170.9	-66.3	0	0	0	0	107.9	M418 R422 E423 R424	M418-T420 PolarHBondContact O-N 2.76Å; T420-R422 HydrophobicContact CG2-CB 4.14Å; T420-R422 HydrophobicContact CG2-CG 4.42Å; T420-R422 CarbonylContact O-C 3.58Å; T420-R422 PolarHBondContact O-N 2.89Å; T420-E423 WeakPolarHBondContact CB-OE2 3.48Å; T420-E423 PolarHBondContact N-OE2 2.78Å; T420-E423 WeakPolarHBondContact O-CA 3.34Å; T420-E423 PolarHBondContact O-N 3.18Å; T420-E423 PolarHBondContact OG1-OE2 2.77Å; T420-R424 PolarHBondContact O-N 3.28Å
421	P	73.2	Confident	67.8	Low	70 Å²	70	70.5 Å²	70.5	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-48.8	-34.4	-179.7	-31.2	35.8	0	0	0	113.6	N425	P421-N425 WeakPolarHBondContact O-CB 3.46Å; P421-N425 PolarHBondContact O-N 3.26Å; P421-N425 PolarHBondContact O-ND2 3.37Å; P421-N425 PolarHBondContact O-OD1 2.86Å
422	R	71.5	Confident	68.7	Low	70 Å²	70	73.9 Å²	73.9	26%	0.264	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-48.4	173.3	-62.5	-178.6	-176	165.3	2.6	112.9	T420 N425 V426 W478 D584	T420-R422 HydrophobicContact CG2-CB 4.14Å; T420-R422 HydrophobicContact CG2-CG 4.42Å; T420-R422 CarbonylContact O-C 3.58Å; T420-R422 PolarHBondContact O-N 2.89Å; R422-N425 WeakPolarHBondContact O-CB 3.47Å; R422-N425 PolarHBondContact O-N 2.86Å; R422-V426 WeakPolarHBondContact O-CG2 3.3Å; R422-V426 PolarHBondContact O-N 3.2Å; R422-W478 VanDerWaalsContact NH1-CZ2 3.32Å; R422-D584 IonicContact NH1-OD2 3.99Å
423	E	72.2	Confident	70.2	Confident	12 Å²	12	70.2 Å²	70.2	6%	0.056	35%	0.353	C	S	.	.	H	α-helix	trans	-65.7	-42.2	177.7	-60.8	169.5	143.6	0	0	110.8	L419 T420 N425 V426 F427	L419-E423 HydrophobicContact CB-CB 4.37Å; L419-E423 HydrophobicContact CD2-CB 3.62Å; T420-E423 WeakPolarHBondContact CB-OE2 3.48Å; T420-E423 PolarHBondContact N-OE2 2.78Å; T420-E423 WeakPolarHBondContact O-CA 3.34Å; T420-E423 PolarHBondContact O-N 3.18Å; T420-E423 PolarHBondContact OG1-OE2 2.77Å; E423-N425 VanDerWaalsContact C-N 3.25Å; E423-N425 PolarHBondContact O-N 2.73Å; E423-V426 WeakPolarHBondContact O-CA 3.38Å; E423-V426 WeakPolarHBondContact O-CB 3.32Å; E423-V426 PolarHBondContact O-N 3.03Å; E423-F427 VanDerWaalsContact O-CD2 3.27Å; E423-F427 WeakPolarHBondContact O-CD2 3.27Å; E423-F427 PolarHBondContact O-N 3.22Å
424	R	75.7	Confident	71.8	Confident	144 Å²	144	68.4 Å²	68.4	54%	0.543	34%	0.337	S	S	.	.	H	α-helix	trans	-57	-41.7	173.9	-172.5	-177.6	68.1	-171.7	-0.6	111.4	L419 T420 F427 L428	L419-R424 HydrophobicContact CB-CB 4.01Å; T420-R424 PolarHBondContact O-N 3.28Å; R424-F427 PolarHBondContact O-N 3.41Å; R424-L428 VanDerWaalsContact O-CB 3.28Å; R424-L428 WeakPolarHBondContact O-CB 3.46Å; R424-L428 PolarHBondContact O-N 2.83Å
425	N	81.1	Confident	73.7	Confident	82 Å²	82	67.7 Å²	67.7	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-64.4	-40.1	175.8	-69	-9.9	0	0	0	111.6	P421 R422 E423 L428 I429	P421-N425 WeakPolarHBondContact O-CB 3.46Å; P421-N425 PolarHBondContact O-N 3.26Å; P421-N425 PolarHBondContact O-ND2 3.37Å; P421-N425 PolarHBondContact O-OD1 2.86Å; R422-N425 WeakPolarHBondContact O-CB 3.47Å; R422-N425 PolarHBondContact O-N 2.86Å; E423-N425 VanDerWaalsContact C-N 3.25Å; E423-N425 PolarHBondContact O-N 2.73Å; N425-L428 PolarHBondContact O-N 3.14Å; N425-I429 WeakPolarHBondContact O-CD1 3.37Å; N425-I429 VanDerWaalsContact O-CG1 3.29Å; N425-I429 WeakPolarHBondContact O-CG1 3.29Å; N425-I429 PolarHBondContact O-N 2.86Å
426	V	81	Confident	75.5	Confident	22 Å²	22	68.3 Å²	68.3	13%	0.133	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-48.4	174	175.5	0	0	0	0	110.7	R422 E423 L428 I429 V430 F474 P475	R422-V426 WeakPolarHBondContact O-CG2 3.3Å; R422-V426 PolarHBondContact O-N 3.2Å; E423-V426 WeakPolarHBondContact O-CA 3.38Å; E423-V426 WeakPolarHBondContact O-CB 3.32Å; E423-V426 PolarHBondContact O-N 3.03Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 3.38Å; V426-I429 PolarHBondContact O-N 3.42Å; V426-V430 HydrophobicContact CG1-CG2 3.79Å; V426-V430 VanDerWaalsContact O-CB 3.23Å; V426-V430 WeakPolarHBondContact O-CB 3.3Å; V426-V430 WeakPolarHBondContact O-CG2 3.3Å; V426-V430 PolarHBondContact O-N 3.11Å; V426-F474 HydrophobicContact CG2-CD1 3.8Å; V426-F474 HydrophobicContact CG2-CE1 4.16Å; V426-P475 HydrophobicContact CG1-CG 3.88Å
427	F	82	Confident	77.5	Confident	25 Å²	25	60.8 Å²	60.8	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-43	176.6	-85.4	-110.7	0	0	0	112.2	L406 L407 A410 L419 E423 R424 I429 V430 V431	L406-F427 VanDerWaalsContact C-CZ 3.48Å; L406-F427 HydrophobicContact CB-CD1 4.25Å; L406-F427 HydrophobicContact CB-CE1 3.54Å; L406-F427 HydrophobicContact CB-CE2 3.97Å; L406-F427 HydrophobicContact CB-CZ 3.42Å; L406-F427 VanDerWaalsContact CB-CZ 3.42Å; L406-F427 HydrophobicContact CD1-CD1 4.05Å; L406-F427 HydrophobicContact CD1-CE1 4.16Å; L406-F427 HydrophobicContact CD1-CG 4.3Å; L406-F427 WeakPolarHBondContact O-CZ 3.28Å; L407-F427 HydrophobicContact CD2-CE1 3.95Å; L407-F427 HydrophobicContact CD2-CZ 4.16Å; L407-F427 HydrophobicContact CG-CE1 4.14Å; L407-F427 HydrophobicContact CG-CZ 4.46Å; A410-F427 HydrophobicContact CB-CE2 3.99Å; A410-F427 HydrophobicContact CB-CZ 4.19Å; L419-F427 HydrophobicContact CD2-CD2 3.54Å; L419-F427 HydrophobicContact CD2-CE2 3.42Å; L419-F427 VanDerWaalsContact CD2-CE2 3.42Å; L419-F427 HydrophobicContact CD2-CG 4.2Å; L419-F427 HydrophobicContact CD2-CZ 4Å; E423-F427 VanDerWaalsContact O-CD2 3.27Å; E423-F427 WeakPolarHBondContact O-CD2 3.27Å; E423-F427 PolarHBondContact O-N 3.22Å; R424-F427 PolarHBondContact O-N 3.41Å; F427-I429 PolarHBondContact O-N 2.92Å; F427-V430 PolarHBondContact O-N 2.72Å; F427-V431 WeakPolarHBondContact O-CB 3.3Å; F427-V431 VanDerWaalsContact O-CG2 3.32Å; F427-V431 WeakPolarHBondContact O-CG2 3.42Å; F427-V431 PolarHBondContact O-N 3.01Å
428	L	82.4	Confident	79.4	Confident	119 Å²	119	52.8 Å²	52.8	62%	0.623	27%	0.27	S	S	*	.	H	α-helix	trans	-63.7	-28.5	-179.9	-172.2	146.3	0	0	0	112.5	R424 N425 V426 P432	R424-L428 VanDerWaalsContact O-CB 3.28Å; R424-L428 WeakPolarHBondContact O-CB 3.46Å; R424-L428 PolarHBondContact O-N 2.83Å; N425-L428 PolarHBondContact O-N 3.14Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 3.38Å; L428-P432 WeakPolarHBondContact O-CD 3.17Å; L428-P432 WeakPolarHBondContact O-CG 3.04Å
429	I	84.6	Confident	81.1	Confident	96 Å²	96	46.1 Å²	46.1	49%	0.492	24%	0.237	S	C	.	.	H	α-helix	trans	-88.3	-46.4	176.8	-66.6	166.2	0	0	0	111.3	N425 V426 F427 P432 L433	N425-I429 WeakPolarHBondContact O-CD1 3.37Å; N425-I429 VanDerWaalsContact O-CG1 3.29Å; N425-I429 WeakPolarHBondContact O-CG1 3.29Å; N425-I429 PolarHBondContact O-N 2.86Å; V426-I429 PolarHBondContact O-N 3.42Å; F427-I429 PolarHBondContact O-N 2.92Å; I429-P432 WeakPolarHBondContact O-CD 3.32Å; I429-L433 HydrophobicContact CG2-CD1 3.67Å; I429-L433 HydrophobicContact CG2-CG 4.5Å; I429-L433 VanDerWaalsContact O-CG 3.32Å; I429-L433 WeakPolarHBondContact O-CG 3.32Å; I429-L433 PolarHBondContact O-N 3.42Å
430	V	84.8	Confident	82.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-42.6	-173	169.2	0	0	0	0	112.2	L406 V426 F427 L433 Q434 C468 A471 I472	L406-V430 HydrophobicContact CD1-CB 4.19Å; L406-V430 HydrophobicContact CD1-CG1 3.67Å; L406-V430 HydrophobicContact CD2-CG1 4.47Å; L406-V430 HydrophobicContact CG-CG1 4.49Å; V426-V430 HydrophobicContact CG1-CG2 3.79Å; V426-V430 VanDerWaalsContact O-CB 3.23Å; V426-V430 WeakPolarHBondContact O-CB 3.3Å; V426-V430 WeakPolarHBondContact O-CG2 3.3Å; V426-V430 PolarHBondContact O-N 3.11Å; F427-V430 PolarHBondContact O-N 2.72Å; V430-L433 PolarHBondContact O-N 3.37Å; V430-Q434 HydrophobicContact CG1-CG 4.35Å; V430-Q434 WeakPolarHBondContact O-CG 3.49Å; V430-Q434 PolarHBondContact O-N 3.42Å; V430-C468 VanDerWaalsContact CG1-SG 3.52Å; V430-A471 HydrophobicContact CG2-CB 3.37Å; V430-I472 HydrophobicContact CG1-CG1 4.25Å
431	V	83.2	Confident	83.5	Confident	35 Å²	35	45.1 Å²	45.1	21%	0.212	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-48.6	-176.7	172.3	0	0	0	0	111.5	I403 L406 F427 L433 Q434 V435	I403-V431 HydrophobicContact CG1-CG2 4.15Å; L406-V431 HydrophobicContact CD1-CG2 4.47Å; F427-V431 WeakPolarHBondContact O-CB 3.3Å; F427-V431 VanDerWaalsContact O-CG2 3.32Å; F427-V431 WeakPolarHBondContact O-CG2 3.42Å; F427-V431 PolarHBondContact O-N 3.01Å; V431-L433 PolarHBondContact O-N 3.4Å; V431-Q434 PolarHBondContact O-N 2.85Å; V431-V435 WeakPolarHBondContact O-CG2 3.44Å; V431-V435 PolarHBondContact O-N 2.91Å
432	P	86.3	Confident	84.1	Confident	75 Å²	75	42.5 Å²	42.5	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-61.4	-41	173.6	-26.6	36.6	0	0	0	114.1	L428 I429 Q434 V435 L436	L428-P432 WeakPolarHBondContact O-CD 3.17Å; L428-P432 WeakPolarHBondContact O-CG 3.04Å; I429-P432 WeakPolarHBondContact O-CD 3.32Å; P432-Q434 PolarHBondContact O-N 2.96Å; P432-V435 PolarHBondContact O-N 3.44Å; P432-L436 PolarHBondContact O-N 2.87Å
433	L	89.2	Confident	84.7	Confident	49 Å²	49	39.6 Å²	39.6	26%	0.257	21%	0.205	S	C	.	.	H	α-helix	trans	-59.6	-38.5	175.7	-75	170.4	0	0	0	111.3	I429 V430 V431 L436 A437 V464	I429-L433 HydrophobicContact CG2-CD1 3.67Å; I429-L433 HydrophobicContact CG2-CG 4.5Å; I429-L433 VanDerWaalsContact O-CG 3.32Å; I429-L433 WeakPolarHBondContact O-CG 3.32Å; I429-L433 PolarHBondContact O-N 3.42Å; V430-L433 PolarHBondContact O-N 3.37Å; V431-L433 PolarHBondContact O-N 3.4Å; L433-L436 WeakPolarHBondContact O-CB 3.22Å; L433-L436 PolarHBondContact O-N 3.47Å; L433-A437 PolarHBondContact O-N 2.89Å; L433-V464 HydrophobicContact CB-CG1 4.18Å; L433-V464 HydrophobicContact CD2-CG1 4.08Å; L433-V464 WeakPolarHBondContact O-CG1 3.19Å
434	Q	88.6	Confident	85.3	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-69.5	-38.2	176.3	-76.7	-64.8	2.7	0	0	113.5	F402 V430 V431 P432 L436 A437 N438 C468	F402-Q434 HydrophobicContact CB-CG 4.07Å; F402-Q434 HydrophobicContact CD1-CG 4.27Å; F402-Q434 VanDerWaalsContact CD1-NE2 3.29Å; F402-Q434 HydrophobicContact CD2-CB 4.3Å; F402-Q434 HydrophobicContact CD2-CG 3.76Å; F402-Q434 HydrophobicContact CE2-CG 4.3Å; F402-Q434 VanDerWaalsContact CE2-OE1 3.27Å; F402-Q434 HydrophobicContact CG-CG 3.75Å; V430-Q434 HydrophobicContact CG1-CG 4.35Å; V430-Q434 WeakPolarHBondContact O-CG 3.49Å; V430-Q434 PolarHBondContact O-N 3.42Å; V431-Q434 PolarHBondContact O-N 2.85Å; P432-Q434 PolarHBondContact O-N 2.96Å; Q434-L436 VanDerWaalsContact C-N 3.27Å; Q434-L436 PolarHBondContact O-N 3.47Å; Q434-A437 PolarHBondContact O-N 2.87Å; Q434-N438 PolarHBondContact O-N 3.38Å; Q434-N438 PolarHBondContact O-ND2 3.5Å; Q434-C468 HydrophobicContact CG-CB 4.48Å; Q434-C468 WeakPolarHBondContact CG-SG 3.37Å; Q434-C468 PolarHBondContact NE2-SG 3.35Å
435	V	86.9	Confident	85.6	Confident	23 Å²	23	37.2 Å²	37.2	14%	0.139	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-42.8	172.4	175.1	0	0	0	0	109.7	V7 V431 P432 N438 I439	V7-V435 HydrophobicContact CG2-CG1 4.01Å; V431-V435 WeakPolarHBondContact O-CG2 3.44Å; V431-V435 PolarHBondContact O-N 2.91Å; P432-V435 PolarHBondContact O-N 3.44Å; V435-N438 PolarHBondContact O-N 3.33Å; V435-I439 HydrophobicContact CG1-CD1 3.8Å; V435-I439 HydrophobicContact CG1-CG1 4.5Å; V435-I439 WeakPolarHBondContact O-CB 3.37Å; V435-I439 WeakPolarHBondContact O-CD1 3.35Å; V435-I439 VanDerWaalsContact O-CG1 3.25Å; V435-I439 WeakPolarHBondContact O-CG1 3.35Å; V435-I439 PolarHBondContact O-N 3.5Å
436	L	89.3	Confident	85.5	Confident	64 Å²	64	34.7 Å²	34.7	34%	0.335	19%	0.186	S	C	.	.	H	α-helix	trans	-62.7	-42.7	175.4	-178.2	62.8	0	0	0	112.6	P432 L433 Q434 I439 A440 W457 V464	P432-L436 PolarHBondContact O-N 2.87Å; L433-L436 WeakPolarHBondContact O-CB 3.22Å; L433-L436 PolarHBondContact O-N 3.47Å; Q434-L436 VanDerWaalsContact C-N 3.27Å; Q434-L436 PolarHBondContact O-N 3.47Å; L436-I439 PolarHBondContact O-N 3.04Å; L436-A440 WeakPolarHBondContact O-CB 3.17Å; L436-A440 PolarHBondContact O-N 2.84Å; L436-W457 HydrophobicContact CD1-CH2 4.3Å; L436-W457 HydrophobicContact CD1-CZ3 3.97Å; L436-V464 HydrophobicContact CD2-CG2 4.01Å
437	A	88.9	Confident	85.4	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-45.7	176.3	0	0	0	0	0	111.7	L433 Q434 I439 A440 T441 V464	L433-A437 PolarHBondContact O-N 2.89Å; Q434-A437 PolarHBondContact O-N 2.87Å; A437-I439 VanDerWaalsContact C-N 3.34Å; A437-I439 PolarHBondContact O-N 2.93Å; A437-A440 WeakPolarHBondContact O-CB 3.43Å; A437-A440 PolarHBondContact O-N 2.94Å; A437-T441 PolarHBondContact O-N 3.48Å; A437-T441 PolarHBondContact O-OG1 2.87Å; A437-T441 VanDerWaalsContact O-OG1 3.08Å; A437-V464 HydrophobicContact CB-CG1 3.96Å
438	N	88.8	Confident	85.1	Confident	11 Å²	11	34.9 Å²	34.9	6%	0.059	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-38	177.2	-72.3	-60.1	0	0	0	112.1	I395 Q434 V435 T441 I442	I395-N438 HydrophobicContact CG1-CB 4.22Å; Q434-N438 PolarHBondContact O-N 3.38Å; Q434-N438 PolarHBondContact O-ND2 3.5Å; V435-N438 PolarHBondContact O-N 3.33Å; N438-T441 PolarHBondContact O-N 3.41Å; N438-I442 WeakPolarHBondContact O-CG1 3.22Å; N438-I442 PolarHBondContact O-N 3.24Å
439	I	87.1	Confident	84.8	Confident	17 Å²	17	30.9 Å²	30.9	9%	0.087	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-44.3	173	-72	164.1	0	0	0	110.6	V10 L14 I395 V435 L436 A437 T441 I442 I443 W457	V10-I439 HydrophobicContact CG1-CD1 3.72Å; V10-I439 HydrophobicContact CG1-CG1 4.45Å; L14-I439 HydrophobicContact CD1-CG2 3.4Å; I395-I439 HydrophobicContact CD1-CG1 4.43Å; V435-I439 HydrophobicContact CG1-CD1 3.8Å; V435-I439 HydrophobicContact CG1-CG1 4.5Å; V435-I439 WeakPolarHBondContact O-CB 3.37Å; V435-I439 WeakPolarHBondContact O-CD1 3.35Å; V435-I439 VanDerWaalsContact O-CG1 3.25Å; V435-I439 WeakPolarHBondContact O-CG1 3.35Å; V435-I439 PolarHBondContact O-N 3.5Å; L436-I439 PolarHBondContact O-N 3.04Å; A437-I439 VanDerWaalsContact C-N 3.34Å; A437-I439 PolarHBondContact O-N 2.93Å; I439-T441 VanDerWaalsContact C-N 3.29Å; I439-T441 PolarHBondContact O-N 3.33Å; I439-I442 PolarHBondContact O-N 3.36Å; I439-I442 VanDerWaalsContact O-N 3.14Å; I439-I443 HydrophobicContact CG2-CD1 3.81Å; I439-I443 HydrophobicContact CG2-CG1 4.39Å; I439-I443 WeakPolarHBondContact O-CG1 3.25Å; I439-I443 PolarHBondContact O-N 3.35Å; I439-W457 HydrophobicContact CG2-CZ3 4.42Å
440	A	88.9	Confident	84.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-41	178.3	0	0	0	0	0	111.1	L436 A437 I442 I443 I444 W457 F461	L436-A440 WeakPolarHBondContact O-CB 3.17Å; L436-A440 PolarHBondContact O-N 2.84Å; A437-A440 WeakPolarHBondContact O-CB 3.43Å; A437-A440 PolarHBondContact O-N 2.94Å; A440-I442 PolarHBondContact O-N 3.42Å; A440-I443 PolarHBondContact O-N 3.06Å; A440-I444 WeakPolarHBondContact O-CB 3.2Å; A440-I444 WeakPolarHBondContact O-CD1 3.38Å; A440-I444 WeakPolarHBondContact O-CG1 3.37Å; A440-I444 PolarHBondContact O-N 3.37Å; A440-W457 HydrophobicContact CB-CE3 3.61Å; A440-W457 HydrophobicContact CB-CZ3 4.02Å; A440-F461 HydrophobicContact CB-CB 3.85Å; A440-F461 HydrophobicContact CB-CD2 4.18Å; A440-F461 HydrophobicContact CB-CG 4.49Å
441	T	86.9	Confident	84	Confident	27 Å²	27	27.5 Å²	27.5	17%	0.166	16%	0.159	C	C	.	.	H	α-helix	trans	-56.7	-47.6	172.5	-53.1	0	0	0	0	112.1	A437 N438 I439 I443 I444 E445 F461	A437-T441 PolarHBondContact O-N 3.48Å; A437-T441 PolarHBondContact O-OG1 2.87Å; A437-T441 VanDerWaalsContact O-OG1 3.08Å; N438-T441 PolarHBondContact O-N 3.41Å; I439-T441 VanDerWaalsContact C-N 3.29Å; I439-T441 PolarHBondContact O-N 3.33Å; T441-I443 VanDerWaalsContact C-N 3.34Å; T441-I443 PolarHBondContact O-N 3.09Å; T441-I444 PolarHBondContact O-N 3.49Å; T441-E445 WeakPolarHBondContact O-CG 3.34Å; T441-E445 PolarHBondContact O-N 2.95Å; T441-F461 WeakPolarHBondContact OG1-CE2 3.33Å
442	I	86.6	Confident	83.8	Confident	15 Å²	15	28.3 Å²	28.3	8%	0.077	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-44.8	178.9	-66.9	163	0	0	0	111	Y391 I395 N438 I439 A440 I444 E445 E446	Y391-I442 HydrophobicContact CD1-CB 4.25Å; Y391-I442 HydrophobicContact CD1-CD1 4.23Å; Y391-I442 HydrophobicContact CD1-CG1 3.71Å; Y391-I442 HydrophobicContact CD1-CG2 3.71Å; Y391-I442 HydrophobicContact CD2-CG2 3.94Å; Y391-I442 HydrophobicContact CE1-CG1 4.37Å; Y391-I442 HydrophobicContact CE1-CG2 3.94Å; Y391-I442 HydrophobicContact CE2-CG2 4.18Å; Y391-I442 HydrophobicContact CG-CD1 4.27Å; Y391-I442 HydrophobicContact CG-CG1 4.17Å; Y391-I442 HydrophobicContact CG-CG2 3.73Å; I395-I442 HydrophobicContact CD1-CD1 3.53Å; I395-I442 HydrophobicContact CG1-CD1 3.56Å; N438-I442 WeakPolarHBondContact O-CG1 3.22Å; N438-I442 PolarHBondContact O-N 3.24Å; I439-I442 PolarHBondContact O-N 3.36Å; I439-I442 VanDerWaalsContact O-N 3.14Å; A440-I442 PolarHBondContact O-N 3.42Å; I442-I444 VanDerWaalsContact C-N 3.29Å; I442-I444 PolarHBondContact O-N 3.33Å; I442-E445 PolarHBondContact O-N 2.88Å; I442-E446 WeakPolarHBondContact O-CB 3.3Å; I442-E446 PolarHBondContact O-N 3.41Å
443	I	84.7	Confident	83.5	Confident	8 Å²	8	30 Å²	30	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-37.9	178.7	-65.6	170	0	0	0	110.8	L14 I439 A440 T441 S447 R453 W457	L14-I443 HydrophobicContact CD1-CD1 4.15Å; L14-I443 HydrophobicContact CD2-CD1 4.09Å; I439-I443 HydrophobicContact CG2-CD1 3.81Å; I439-I443 HydrophobicContact CG2-CG1 4.39Å; I439-I443 WeakPolarHBondContact O-CG1 3.25Å; I439-I443 PolarHBondContact O-N 3.35Å; A440-I443 PolarHBondContact O-N 3.06Å; T441-I443 VanDerWaalsContact C-N 3.34Å; T441-I443 PolarHBondContact O-N 3.09Å; I443-S447 WeakPolarHBondContact CG2-OG 3.45Å; I443-S447 WeakPolarHBondContact O-CA 3.38Å; I443-S447 WeakPolarHBondContact O-CB 3.11Å; I443-S447 PolarHBondContact O-N 2.89Å; I443-S447 PolarHBondContact O-OG 3.15Å; I443-R453 HydrophobicContact CG2-CG 4.1Å; I443-W457 HydrophobicContact CB-CD2 4.28Å; I443-W457 HydrophobicContact CB-CG 4.26Å; I443-W457 HydrophobicContact CD1-CD2 3.61Å; I443-W457 VanDerWaalsContact CD1-CE2 3.41Å; I443-W457 HydrophobicContact CD1-CE3 3.78Å; I443-W457 HydrophobicContact CD1-CG 4.36Å; I443-W457 HydrophobicContact CD1-CH2 3.56Å; I443-W457 HydrophobicContact CD1-CZ2 3.4Å; I443-W457 VanDerWaalsContact CD1-CZ2 3.4Å; I443-W457 HydrophobicContact CD1-CZ3 3.76Å; I443-W457 HydrophobicContact CG2-CB 4.07Å; I443-W457 HydrophobicContact CG2-CD2 4Å; I443-W457 HydrophobicContact CG2-CG 3.61Å
444	I	85.3	Confident	83.2	Confident	29 Å²	29	30.3 Å²	30.3	15%	0.149	16%	0.164	C	C	.	.	H	α-helix	trans	-66.9	-39.8	176.6	-68.6	161.3	0	0	0	110.8	A440 T441 I442 Y454 W457 K458 F461	A440-I444 WeakPolarHBondContact O-CB 3.2Å; A440-I444 WeakPolarHBondContact O-CD1 3.38Å; A440-I444 WeakPolarHBondContact O-CG1 3.37Å; A440-I444 PolarHBondContact O-N 3.37Å; T441-I444 PolarHBondContact O-N 3.49Å; I442-I444 VanDerWaalsContact C-N 3.29Å; I442-I444 PolarHBondContact O-N 3.33Å; I444-Y454 HydrophobicContact CB-CE2 4.39Å; I444-Y454 HydrophobicContact CG2-CD2 4.06Å; I444-Y454 HydrophobicContact CG2-CE2 3.47Å; I444-Y454 VanDerWaalsContact CG2-CE2 3.47Å; I444-Y454 WeakPolarHBondContact O-CD2 3.42Å; I444-Y454 VanDerWaalsContact O-CE2 3.31Å; I444-Y454 WeakPolarHBondContact O-CE2 3.39Å; I444-W457 HydrophobicContact CG1-CB 4.17Å; I444-K458 HydrophobicContact CD1-CB 4.17Å; I444-K458 HydrophobicContact CG1-CB 4.39Å; I444-F461 HydrophobicContact CD1-CB 3.65Å; I444-F461 HydrophobicContact CD1-CD1 4.26Å; I444-F461 HydrophobicContact CD1-CG 3.96Å
445	E	81	Confident	82.9	Confident	78 Å²	78	32.1 Å²	32.1	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-68.4	-33.9	178.2	-73.7	178.7	174.7	0	0	112.7	Y390 T441 I442	Y390-E445 VanDerWaalsContact CE1-OE2 3.29Å; Y390-E445 WeakPolarHBondContact CE1-OE2 3.22Å; Y390-E445 PolarHBondContact OH-OE1 2.89Å; Y390-E445 PolarHBondContact OH-OE2 3.41Å; T441-E445 WeakPolarHBondContact O-CG 3.34Å; T441-E445 PolarHBondContact O-N 2.95Å; I442-E445 PolarHBondContact O-N 2.88Å
446	E	78.9	Confident	82.9	Confident	28 Å²	28	34.7 Å²	34.7	13%	0.131	20%	0.195	C	C	.	.	H	α-helix	trans	-88.9	-25.5	178.4	-78.8	-67.1	157.5	0	0	114.1	L18 H382 Y391 I442	L18-E446 WeakPolarHBondContact CA-OE2 3.2Å; L18-E446 WeakPolarHBondContact CB-OE2 3.39Å; L18-E446 HydrophobicContact CD2-CG 3.8Å; L18-E446 WeakPolarHBondContact CD2-OE1 3.19Å; L18-E446 WeakPolarHBondContact CD2-OE2 3.25Å; H382-E446 IonicContact CE1-OE1 3.06Å; H382-E446 IonicContact CG-OE1 2.99Å; H382-E446 IonicContact ND1-OE1 3.16Å; H382-E446 PolarHBondContact ND1-OE1 3.46Å; H382-E446 VanDerWaalsContact ND1-OE1 3.15Å; Y391-E446 HydrophobicContact CE2-CG 3.88Å; Y391-E446 WeakPolarHBondContact CE2-OE1 3.42Å; Y391-E446 VanDerWaalsContact CZ-OE1 3.25Å; Y391-E446 VanDerWaalsContact OH-CD 3.26Å; Y391-E446 WeakPolarHBondContact OH-CG 3.49Å; Y391-E446 PolarHBondContact OH-OE1 2.88Å; I442-E446 WeakPolarHBondContact O-CB 3.3Å; I442-E446 PolarHBondContact O-N 3.41Å
447	S	78.4	Confident	82.9	Confident	22 Å²	22	34.2 Å²	34.2	15%	0.154	19%	0.189	C	C	.	.	S	Bend	trans	-80.9	133.8	-179.9	-60.1	0	0	0	0	110.1	I443 Y454	I443-S447 WeakPolarHBondContact CG2-OG 3.45Å; I443-S447 WeakPolarHBondContact O-CA 3.38Å; I443-S447 WeakPolarHBondContact O-CB 3.11Å; I443-S447 PolarHBondContact O-N 2.89Å; I443-S447 PolarHBondContact O-OG 3.15Å; S447-Y454 VanDerWaalsContact O-CD2 3.3Å; S447-Y454 WeakPolarHBondContact O-CD2 3.34Å
448	E	75.9	Confident	82.9	Confident	30 Å²	30	38.8 Å²	38.8	14%	0.14	21%	0.209	C	C	.	.			trans	-61.7	141.3	171.1	-60.1	173.7	-171.3	0	0	110.5	H23 I24 L25 G450 A451 Y454	H23-E448 HydrophobicContact CB-CG 4.24Å; H23-E448 WeakPolarHBondContact CB-OE1 3.43Å; H23-E448 IonicContact CD2-OE1 3.32Å; H23-E448 IonicContact CD2-OE2 2.72Å; I24-E448 PolarHBondContact N-OE1 3.29Å; I24-E448 VanDerWaalsContact O-OE1 3.08Å; L25-E448 WeakPolarHBondContact CA-OE2 3.39Å; L25-E448 WeakPolarHBondContact CB-OE2 3.45Å; L25-E448 HydrophobicContact CD1-CB 4.5Å; L25-E448 WeakPolarHBondContact CD1-OE2 3.44Å; L25-E448 PolarHBondContact N-OE2 2.86Å; E448-G450 PolarHBondContact O-N 2.68Å; E448-A451 WeakPolarHBondContact O-CB 3.38Å; E448-A451 PolarHBondContact O-N 3.25Å; E448-Y454 WeakPolarHBondContact O-CB 3.33Å
449	A	76.7	Confident	82.8	Confident	35 Å²	35	44.8 Å²	44.8	29%	0.289	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.3	-178	0	0	0	0	0	113.3	L36 Y454	L36-A449 HydrophobicContact CD2-CB 3.87Å; L36-A449 HydrophobicContact CG-CB 4.25Å; A449-Y454 HydrophobicContact CB-CE1 4.34Å
450	G	72.1	Confident	82.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-21.4	177.1	0	0	0	0	0	114.8	R32 V35 L36 E448	R32-G450 VanDerWaalsContact CZ-O 3.28Å; R32-G450 PolarHBondContact NH1-O 2.94Å; R32-G450 PolarHBondContact NH2-O 3.39Å; V35-G450 VanDerWaalsContact CG1-O 3.3Å; V35-G450 WeakPolarHBondContact CG1-O 3.44Å; L36-G450 WeakPolarHBondContact O-CA 3.4Å; L36-G450 PolarHBondContact O-N 2.67Å; E448-G450 PolarHBondContact O-N 2.68Å
451	A	80.4	Confident	83	Confident	26 Å²	26	49.1 Å²	49.1	22%	0.215	26%	0.257	C	S	.	.	S	Bend	trans	-67.5	135.9	-178.8	0	0	0	0	0	110.6	E448 R453 Y454	E448-A451 WeakPolarHBondContact O-CB 3.38Å; E448-A451 PolarHBondContact O-N 3.25Å; A451-R453 PolarHBondContact O-N 3.36Å; A451-R453 VanDerWaalsContact O-N 3.13Å; A451-Y454 WeakPolarHBondContact O-CB 3.4Å; A451-Y454 PolarHBondContact O-N 3.18Å
452	A	78.6	Confident	83	Confident	51 Å²	51	52.3 Å²	52.3	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-56.3	-33.1	175.7	0	0	0	0	0	112	Y454 A455 T456	A452-Y454 VanDerWaalsContact C-N 3.31Å; A452-Y454 PolarHBondContact O-N 3.29Å; A452-A455 PolarHBondContact O-N 2.96Å; A452-T456 PolarHBondContact O-N 3.01Å; A452-T456 PolarHBondContact O-OG1 3.46Å
453	R	80.8	Confident	83.2	Confident	110 Å²	110	58.8 Å²	58.8	42%	0.415	30%	0.3	S	S	.	.	H	α-helix	trans	-55.9	-43.2	174.1	-169.4	176.3	-174.6	169.9	-0.8	111.9	I443 A451 A455 T456 W457	I443-R453 HydrophobicContact CG2-CG 4.1Å; A451-R453 PolarHBondContact O-N 3.36Å; A451-R453 VanDerWaalsContact O-N 3.13Å; R453-A455 PolarHBondContact O-N 2.92Å; R453-T456 PolarHBondContact O-N 3.45Å; R453-W457 WeakPolarHBondContact O-CB 3.44Å; R453-W457 PolarHBondContact O-N 3.26Å
454	Y	82.3	Confident	83.5	Confident	56 Å²	56	58.8 Å²	58.8	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-49.7	179.8	177.4	-91.1	0	0	0	111.7	I444 S447 E448 A449 A451 A452 W457 K458	I444-Y454 HydrophobicContact CB-CE2 4.39Å; I444-Y454 HydrophobicContact CG2-CD2 4.06Å; I444-Y454 HydrophobicContact CG2-CE2 3.47Å; I444-Y454 VanDerWaalsContact CG2-CE2 3.47Å; I444-Y454 WeakPolarHBondContact O-CD2 3.42Å; I444-Y454 VanDerWaalsContact O-CE2 3.31Å; I444-Y454 WeakPolarHBondContact O-CE2 3.39Å; S447-Y454 VanDerWaalsContact O-CD2 3.3Å; S447-Y454 WeakPolarHBondContact O-CD2 3.34Å; E448-Y454 WeakPolarHBondContact O-CB 3.33Å; A449-Y454 HydrophobicContact CB-CE1 4.34Å; A451-Y454 WeakPolarHBondContact O-CB 3.4Å; A451-Y454 PolarHBondContact O-N 3.18Å; A452-Y454 VanDerWaalsContact C-N 3.31Å; A452-Y454 PolarHBondContact O-N 3.29Å; Y454-W457 PolarHBondContact O-N 3.37Å; Y454-K458 HydrophobicContact CE1-CD 4.14Å; Y454-K458 VanDerWaalsContact O-CB 3.27Å; Y454-K458 WeakPolarHBondContact O-CB 3.43Å; Y454-K458 PolarHBondContact O-N 2.9Å
455	A	83.3	Confident	83.6	Confident	43 Å²	43	58.2 Å²	58.2	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-49.5	-179.2	0	0	0	0	0	112	A452 R453 W457 K458 E459	A452-A455 PolarHBondContact O-N 2.96Å; R453-A455 PolarHBondContact O-N 2.92Å; A455-W457 PolarHBondContact O-N 3.43Å; A455-K458 PolarHBondContact O-N 3.47Å; A455-E459 PolarHBondContact O-N 3.18Å
456	T	86.4	Confident	83.8	Confident	76 Å²	76	60.5 Å²	60.5	47%	0.466	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-44.3	179.4	-54.5	0	0	0	0	112	A452 R453 K458 E459 I460	A452-T456 PolarHBondContact O-N 3.01Å; A452-T456 PolarHBondContact O-OG1 3.46Å; R453-T456 PolarHBondContact O-N 3.45Å; T456-K458 VanDerWaalsContact C-N 3.35Å; T456-E459 PolarHBondContact O-N 3.38Å; T456-I460 HydrophobicContact CG2-CD1 3.94Å; T456-I460 VanDerWaalsContact O-CG1 3.26Å; T456-I460 WeakPolarHBondContact O-CG1 3.33Å; T456-I460 PolarHBondContact O-N 2.72Å
457	W	89.7	Confident	84.2	Confident	55 Å²	55	61.3 Å²	61.3	21%	0.208	32%	0.323	C	S	.	.	H	α-helix	trans	-70.2	-31.2	179	-81.1	91.6	0	0	0	112.8	L436 I439 A440 I443 I444 R453 Y454 A455 F461	L436-W457 HydrophobicContact CD1-CH2 4.3Å; L436-W457 HydrophobicContact CD1-CZ3 3.97Å; I439-W457 HydrophobicContact CG2-CZ3 4.42Å; A440-W457 HydrophobicContact CB-CE3 3.61Å; A440-W457 HydrophobicContact CB-CZ3 4.02Å; I443-W457 HydrophobicContact CB-CD2 4.28Å; I443-W457 HydrophobicContact CB-CG 4.26Å; I443-W457 HydrophobicContact CD1-CD2 3.61Å; I443-W457 VanDerWaalsContact CD1-CE2 3.41Å; I443-W457 HydrophobicContact CD1-CE3 3.78Å; I443-W457 HydrophobicContact CD1-CG 4.36Å; I443-W457 HydrophobicContact CD1-CH2 3.56Å; I443-W457 HydrophobicContact CD1-CZ2 3.4Å; I443-W457 VanDerWaalsContact CD1-CZ2 3.4Å; I443-W457 HydrophobicContact CD1-CZ3 3.76Å; I443-W457 HydrophobicContact CG2-CB 4.07Å; I443-W457 HydrophobicContact CG2-CD2 4Å; I443-W457 HydrophobicContact CG2-CG 3.61Å; I444-W457 HydrophobicContact CG1-CB 4.17Å; R453-W457 WeakPolarHBondContact O-CB 3.44Å; R453-W457 PolarHBondContact O-N 3.26Å; Y454-W457 PolarHBondContact O-N 3.37Å; A455-W457 PolarHBondContact O-N 3.43Å; W457-F461 WeakPolarHBondContact O-CB 3.32Å; W457-F461 PolarHBondContact O-N 3.13Å
458	K	87.2	Confident	84.5	Confident	97 Å²	97	60.2 Å²	60.2	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-43.5	172.5	-173.6	176.3	179.1	177.1	0	112.2	I444 Y454 A455 T456 F461 I462	I444-K458 HydrophobicContact CD1-CB 4.17Å; I444-K458 HydrophobicContact CG1-CB 4.39Å; Y454-K458 HydrophobicContact CE1-CD 4.14Å; Y454-K458 VanDerWaalsContact O-CB 3.27Å; Y454-K458 WeakPolarHBondContact O-CB 3.43Å; Y454-K458 PolarHBondContact O-N 2.9Å; A455-K458 PolarHBondContact O-N 3.47Å; T456-K458 VanDerWaalsContact C-N 3.35Å; K458-F461 PolarHBondContact O-N 2.96Å; K458-I462 HydrophobicContact CG-CD1 4.23Å; K458-I462 VanDerWaalsContact O-CG1 3.3Å; K458-I462 WeakPolarHBondContact O-CG1 3.3Å; K458-I462 PolarHBondContact O-N 2.83Å
459	E	88.5	Confident	84.9	Confident	138 Å²	138	59.3 Å²	59.3	65%	0.645	31%	0.312	S	S	*	.	H	α-helix	trans	-63.6	-46.9	174.7	-72.3	176.1	-177	0	0	111.7	A455 T456 F461 I462 F463	A455-E459 PolarHBondContact O-N 3.18Å; T456-E459 PolarHBondContact O-N 3.38Å; E459-F461 VanDerWaalsContact C-N 3.31Å; E459-F461 PolarHBondContact O-N 3.39Å; E459-I462 PolarHBondContact O-N 2.8Å; E459-F463 PolarHBondContact O-N 3.39Å
460	I	89.1	Confident	85.2	Confident	61 Å²	61	59.8 Å²	59.8	31%	0.313	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-45.9	175.1	-67.9	166.9	0	0	0	110.3	T456 I462 F463 V464	T456-I460 HydrophobicContact CG2-CD1 3.94Å; T456-I460 VanDerWaalsContact O-CG1 3.26Å; T456-I460 WeakPolarHBondContact O-CG1 3.33Å; T456-I460 PolarHBondContact O-N 2.72Å; I460-I462 PolarHBondContact O-N 3.23Å; I460-F463 PolarHBondContact O-N 3.27Å; I460-V464 HydrophobicContact CG2-CG2 3.98Å; I460-V464 WeakPolarHBondContact O-CB 3.34Å; I460-V464 WeakPolarHBondContact O-CG2 3.43Å; I460-V464 PolarHBondContact O-N 3.19Å
461	F	90.2	Very high	85.8	Confident	46 Å²	46	61 Å²	61	20%	0.202	33%	0.33	C	S	.	.	H	α-helix	trans	-57.6	-50.5	178.6	170.5	-103.8	0	0	0	111.7	A440 T441 I444 W457 K458 E459 F463 V464 D465	A440-F461 HydrophobicContact CB-CB 3.85Å; A440-F461 HydrophobicContact CB-CD2 4.18Å; A440-F461 HydrophobicContact CB-CG 4.49Å; T441-F461 WeakPolarHBondContact OG1-CE2 3.33Å; I444-F461 HydrophobicContact CD1-CB 3.65Å; I444-F461 HydrophobicContact CD1-CD1 4.26Å; I444-F461 HydrophobicContact CD1-CG 3.96Å; W457-F461 WeakPolarHBondContact O-CB 3.32Å; W457-F461 PolarHBondContact O-N 3.13Å; K458-F461 PolarHBondContact O-N 2.96Å; E459-F461 VanDerWaalsContact C-N 3.31Å; E459-F461 PolarHBondContact O-N 3.39Å; F461-F463 VanDerWaalsContact C-N 3.32Å; F461-F463 PolarHBondContact O-N 2.74Å; F461-V464 PolarHBondContact O-N 2.88Å; F461-D465 HydrophobicContact CE2-CB 4.46Å; F461-D465 HydrophobicContact CZ-CB 4.48Å; F461-D465 WeakPolarHBondContact O-CB 3.44Å; F461-D465 PolarHBondContact O-N 2.99Å
462	I	87.3	Confident	85.7	Confident	94 Å²	94	60 Å²	60	48%	0.482	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-45.6	-179.5	-68.7	165.7	0	0	0	110.6	K458 E459 I460 L466	K458-I462 HydrophobicContact CG-CD1 4.23Å; K458-I462 VanDerWaalsContact O-CG1 3.3Å; K458-I462 WeakPolarHBondContact O-CG1 3.3Å; K458-I462 PolarHBondContact O-N 2.83Å; E459-I462 PolarHBondContact O-N 2.8Å; I460-I462 PolarHBondContact O-N 3.23Å; I462-L466 WeakPolarHBondContact O-CB 3.45Å; I462-L466 PolarHBondContact O-N 2.95Å; I462-L466 VanDerWaalsContact O-N 3.09Å
463	F	90.5	Very high	85.8	Confident	152 Å²	152	59.5 Å²	59.5	67%	0.667	31%	0.311	S	S	*	.	H	α-helix	trans	-63.4	-49	179.2	179.1	-96.8	0	0	0	112.2	E459 I460 F461 L466 A467	E459-F463 PolarHBondContact O-N 3.39Å; I460-F463 PolarHBondContact O-N 3.27Å; F461-F463 VanDerWaalsContact C-N 3.32Å; F461-F463 PolarHBondContact O-N 2.74Å; F463-L466 PolarHBondContact O-N 3.06Å; F463-A467 WeakPolarHBondContact O-CB 3.45Å; F463-A467 PolarHBondContact O-N 2.88Å
464	V	90.1	Very high	85.8	Confident	8 Å²	8	59.1 Å²	59.1	5%	0.048	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-41.9	-178.2	173.9	0	0	0	0	111.2	L433 L436 A437 I460 F461 A467 C468	L433-V464 HydrophobicContact CB-CG1 4.18Å; L433-V464 HydrophobicContact CD2-CG1 4.08Å; L433-V464 WeakPolarHBondContact O-CG1 3.19Å; L436-V464 HydrophobicContact CD2-CG2 4.01Å; A437-V464 HydrophobicContact CB-CG1 3.96Å; I460-V464 HydrophobicContact CG2-CG2 3.98Å; I460-V464 WeakPolarHBondContact O-CB 3.34Å; I460-V464 WeakPolarHBondContact O-CG2 3.43Å; I460-V464 PolarHBondContact O-N 3.19Å; F461-V464 PolarHBondContact O-N 2.88Å; V464-A467 PolarHBondContact O-N 3.39Å; V464-C468 WeakPolarHBondContact O-CB 3.33Å; V464-C468 PolarHBondContact O-N 3.26Å
465	D	87.5	Confident	85.3	Confident	16 Å²	16	56.5 Å²	56.5	9%	0.086	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-42.7	178.6	-171.2	50.7	0	0	0	111.5	F461 C468 C469 R518	F461-D465 HydrophobicContact CE2-CB 4.46Å; F461-D465 HydrophobicContact CZ-CB 4.48Å; F461-D465 WeakPolarHBondContact O-CB 3.44Å; F461-D465 PolarHBondContact O-N 2.99Å; D465-C468 PolarHBondContact O-N 2.88Å; D465-C469 WeakPolarHBondContact O-CB 3.34Å; D465-C469 PolarHBondContact O-N 3.05Å; D465-C469 PolarHBondContact O-SG 3.39Å; D465-R518 IonicContact OD1-CZ 3.53Å; D465-R518 IonicContact OD1-NE 3.28Å; D465-R518 IonicContact OD1-NH1 2.91Å; D465-R518 PolarHBondContact OD1-NH1 3.34Å; D465-R518 IonicContact OD1-NH2 3.8Å; D465-R518 PolarHBondContact OD1-NH2 2.93Å; D465-R518 VanDerWaalsContact OD2-CD 3.25Å; D465-R518 WeakPolarHBondContact OD2-CD 3.44Å; D465-R518 IonicContact OD2-CZ 3.15Å; D465-R518 IonicContact OD2-NE 3.29Å; D465-R518 PolarHBondContact OD2-NE 3.48Å; D465-R518 VanDerWaalsContact OD2-NE 3.15Å; D465-R518 IonicContact OD2-NH1 2.68Å; D465-R518 PolarHBondContact OD2-NH1 3.2Å; D465-R518 IonicContact OD2-NH2 2.95Å
466	L	85.9	Confident	84.8	Confident	127 Å²	127	54.5 Å²	54.5	67%	0.665	29%	0.286	S	S	*	.	H	α-helix	trans	-63.4	-47.5	175.6	-178.1	63.8	0	0	0	112	I462 F463 C468 C469 G470	I462-L466 WeakPolarHBondContact O-CB 3.45Å; I462-L466 PolarHBondContact O-N 2.95Å; I462-L466 VanDerWaalsContact O-N 3.09Å; F463-L466 PolarHBondContact O-N 3.06Å; L466-C468 VanDerWaalsContact C-N 3.26Å; L466-C468 PolarHBondContact O-N 2.95Å; L466-C469 PolarHBondContact O-N 2.93Å; L466-G470 PolarHBondContact O-N 3.4Å; L466-G470 VanDerWaalsContact O-N 3.12Å
467	A	87	Confident	84.4	Confident	44 Å²	44	53.3 Å²	53.3	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-58.5	-41.6	177.3	0	0	0	0	0	111.2	F463 V464 G470 A471	F463-A467 WeakPolarHBondContact O-CB 3.45Å; F463-A467 PolarHBondContact O-N 2.88Å; V464-A467 PolarHBondContact O-N 3.39Å; A467-G470 PolarHBondContact O-N 3.46Å; A467-A471 WeakPolarHBondContact O-CB 3.5Å; A467-A471 PolarHBondContact O-N 3.36Å
468	C	85	Confident	83.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.9	-40.4	-179.9	-164.1	0	0	0	0	113.3	V430 Q434 V464 D465 L466 G470 A471 I472	V430-C468 VanDerWaalsContact CG1-SG 3.52Å; Q434-C468 HydrophobicContact CG-CB 4.48Å; Q434-C468 WeakPolarHBondContact CG-SG 3.37Å; Q434-C468 PolarHBondContact NE2-SG 3.35Å; V464-C468 WeakPolarHBondContact O-CB 3.33Å; V464-C468 PolarHBondContact O-N 3.26Å; D465-C468 PolarHBondContact O-N 2.88Å; L466-C468 VanDerWaalsContact C-N 3.26Å; L466-C468 PolarHBondContact O-N 2.95Å; C468-G470 VanDerWaalsContact C-N 3.26Å; C468-G470 PolarHBondContact O-N 3.35Å; C468-A471 PolarHBondContact O-N 3.2Å; C468-I472 WeakPolarHBondContact O-CD1 3.28Å; C468-I472 VanDerWaalsContact O-CG1 3.32Å; C468-I472 WeakPolarHBondContact O-CG1 3.41Å; C468-I472 PolarHBondContact O-N 3.23Å
469	C	83.6	Confident	82.9	Confident	11 Å²	11	48.7 Å²	48.7	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-42.4	175.1	-71.9	0	0	0	0	111.1	D465 L466 V514	D465-C469 WeakPolarHBondContact O-CB 3.34Å; D465-C469 PolarHBondContact O-N 3.05Å; D465-C469 PolarHBondContact O-SG 3.39Å; L466-C469 PolarHBondContact O-N 2.93Å; C469-V514 HydrophobicContact CB-CG1 3.89Å
470	G	84	Confident	82	Confident	44 Å²	44	43 Å²	43	45%	0.454	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-42.6	174.2	0	0	0	0	0	113.2	L466 A467 C468 I472 L473	L466-G470 PolarHBondContact O-N 3.4Å; L466-G470 VanDerWaalsContact O-N 3.12Å; A467-G470 PolarHBondContact O-N 3.46Å; C468-G470 VanDerWaalsContact C-N 3.26Å; C468-G470 PolarHBondContact O-N 3.35Å; G470-I472 VanDerWaalsContact C-N 3.33Å; G470-I472 PolarHBondContact O-N 3.25Å; G470-L473 PolarHBondContact O-N 3.05Å
471	A	83.8	Confident	81.5	Confident	26 Å²	26	46.3 Å²	46.3	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-30.4	-177.9	0	0	0	0	0	113.7	V430 A467 C468 L473 F474 P475	V430-A471 HydrophobicContact CG2-CB 3.37Å; A467-A471 WeakPolarHBondContact O-CB 3.5Å; A467-A471 PolarHBondContact O-N 3.36Å; C468-A471 PolarHBondContact O-N 3.2Å; A471-L473 VanDerWaalsContact C-N 3.29Å; A471-L473 PolarHBondContact O-N 3.31Å; A471-F474 WeakPolarHBondContact O-CB 3.47Å; A471-F474 PolarHBondContact O-N 2.97Å; A471-P475 WeakPolarHBondContact O-CD 3.45Å
472	I	79.1	Confident	80.5	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-69.1	-28.1	176.2	-67.1	154.9	0	0	0	112.1	F402 I405 L406 V430 C468 G470 F474 P475 V510	F402-I472 HydrophobicContact CD1-CD1 3.22Å; F402-I472 HydrophobicContact CD1-CG1 4.27Å; F402-I472 HydrophobicContact CE1-CD1 3.22Å; F402-I472 HydrophobicContact CG-CD1 4.46Å; F402-I472 HydrophobicContact CZ-CD1 4.46Å; I405-I472 HydrophobicContact CG2-CG2 3.69Å; L406-I472 HydrophobicContact CD2-CB 4.35Å; L406-I472 HydrophobicContact CD2-CG1 4.02Å; L406-I472 HydrophobicContact CD2-CG2 4.35Å; V430-I472 HydrophobicContact CG1-CG1 4.25Å; C468-I472 WeakPolarHBondContact O-CD1 3.28Å; C468-I472 VanDerWaalsContact O-CG1 3.32Å; C468-I472 WeakPolarHBondContact O-CG1 3.41Å; C468-I472 PolarHBondContact O-N 3.23Å; G470-I472 VanDerWaalsContact C-N 3.33Å; G470-I472 PolarHBondContact O-N 3.25Å; I472-F474 VanDerWaalsContact C-N 3.3Å; I472-P475 WeakPolarHBondContact O-CD 3.47Å; I472-V510 HydrophobicContact CG2-CG1 4.39Å
473	L	80.9	Confident	79.6	Confident	40 Å²	40	43.2 Å²	43.2	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-74.4	-24.7	176.7	-61.1	178.7	0	0	0	112.1	G470 A471 V476 V477 Y507 V510 I511	G470-L473 PolarHBondContact O-N 3.05Å; A471-L473 VanDerWaalsContact C-N 3.29Å; A471-L473 PolarHBondContact O-N 3.31Å; L473-V476 PolarHBondContact O-N 3.02Å; L473-V477 WeakPolarHBondContact O-CG2 3.29Å; L473-V477 PolarHBondContact O-N 3.21Å; L473-Y507 HydrophobicContact CB-CE2 4.29Å; L473-Y507 HydrophobicContact CD2-CD2 4.37Å; L473-Y507 HydrophobicContact CD2-CE2 3.97Å; L473-V510 HydrophobicContact CD2-CG1 4.19Å; L473-I511 HydrophobicContact CD1-CD1 4.45Å; L473-I511 HydrophobicContact CD1-CG1 4.17Å; L473-I511 HydrophobicContact CD2-CD1 4.25Å; L473-I511 HydrophobicContact CD2-CG1 3.54Å
474	F	80.7	Confident	78.7	Confident	101 Å²	101	41.2 Å²	41.2	44%	0.443	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-50.2	-175.8	-177.4	-85.9	0	0	0	113.4	V426 A471 I472 V476 V477 W478	V426-F474 HydrophobicContact CG2-CD1 3.8Å; V426-F474 HydrophobicContact CG2-CE1 4.16Å; A471-F474 WeakPolarHBondContact O-CB 3.47Å; A471-F474 PolarHBondContact O-N 2.97Å; I472-F474 VanDerWaalsContact C-N 3.3Å; F474-V476 VanDerWaalsContact C-N 3.27Å; F474-V476 PolarHBondContact O-N 3.01Å; F474-V477 PolarHBondContact O-N 3.4Å; F474-W478 HydrophobicContact CZ-CE3 4.41Å; F474-W478 WeakPolarHBondContact O-CB 3.2Å; F474-W478 PolarHBondContact O-N 3.48Å
475	P	72.5	Confident	77.7	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-54.2	-44.2	174.7	-27.5	34.1	0	0	0	112.3	L406 V426 A471 I472 V477 W478 S479	L406-P475 HydrophobicContact CD2-CG 4.17Å; V426-P475 HydrophobicContact CG1-CG 3.88Å; A471-P475 WeakPolarHBondContact O-CD 3.45Å; I472-P475 WeakPolarHBondContact O-CD 3.47Å; P475-V477 PolarHBondContact O-N 2.81Å; P475-W478 WeakPolarHBondContact O-CB 3.23Å; P475-W478 PolarHBondContact O-N 3.36Å; P475-S479 WeakPolarHBondContact O-CB 3.43Å; P475-S479 PolarHBondContact O-N 3.36Å; P475-S479 PolarHBondContact O-OG 3.46Å
476	V	71.8	Confident	76.7	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-68	-42.5	-176.5	-168.9	0	0	0	0	111.7	L473 F474 W478 S479 I480 Y507	L473-V476 PolarHBondContact O-N 3.02Å; F474-V476 VanDerWaalsContact C-N 3.27Å; F474-V476 PolarHBondContact O-N 3.01Å; V476-W478 VanDerWaalsContact C-N 3.3Å; V476-W478 PolarHBondContact O-N 3.39Å; V476-S479 PolarHBondContact O-N 3.12Å; V476-I480 HydrophobicContact CG1-CD1 4.26Å; V476-I480 VanDerWaalsContact O-CG1 3.27Å; V476-I480 WeakPolarHBondContact O-CG1 3.35Å; V476-I480 PolarHBondContact O-N 3.45Å; V476-Y507 HydrophobicContact CB-CD2 3.76Å; V476-Y507 HydrophobicContact CB-CE2 4.45Å; V476-Y507 HydrophobicContact CG1-CD2 3.48Å; V476-Y507 VanDerWaalsContact CG1-CD2 3.48Å; V476-Y507 HydrophobicContact CG1-CG 3.9Å
477	V	78.1	Confident	75.9	Confident	50 Å²	50	37.6 Å²	37.6	30%	0.303	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-40.3	174.8	173.1	0	0	0	0	110.8	L473 F474 P475 I480 K481 Y507	L473-V477 WeakPolarHBondContact O-CG2 3.29Å; L473-V477 PolarHBondContact O-N 3.21Å; F474-V477 PolarHBondContact O-N 3.4Å; P475-V477 PolarHBondContact O-N 2.81Å; V477-I480 PolarHBondContact O-N 3.05Å; V477-K481 WeakPolarHBondContact O-CG 3.45Å; V477-K481 PolarHBondContact O-N 3.17Å; V477-Y507 HydrophobicContact CG2-CE2 3.64Å
478	W	74	Confident	75	Confident	45 Å²	45	43.6 Å²	43.6	17%	0.17	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-49.6	176.8	-173.5	-96.7	0	0	0	111.7	R422 F474 P475 V476 I480 K481 L482 D584	R422-W478 VanDerWaalsContact NH1-CZ2 3.32Å; F474-W478 HydrophobicContact CZ-CE3 4.41Å; F474-W478 WeakPolarHBondContact O-CB 3.2Å; F474-W478 PolarHBondContact O-N 3.48Å; P475-W478 WeakPolarHBondContact O-CB 3.23Å; P475-W478 PolarHBondContact O-N 3.36Å; V476-W478 VanDerWaalsContact C-N 3.3Å; V476-W478 PolarHBondContact O-N 3.39Å; W478-I480 VanDerWaalsContact C-N 3.27Å; W478-I480 PolarHBondContact O-N 3.15Å; W478-K481 WeakPolarHBondContact O-CA 3.33Å; W478-K481 WeakPolarHBondContact O-CB 3.32Å; W478-K481 PolarHBondContact O-N 3.32Å; W478-L482 PolarHBondContact O-N 2.92Å; W478-D584 WeakPolarHBondContact CH2-OD2 3.46Å
479	S	70.8	Confident	74.2	Confident	10 Å²	10	48.3 Å²	48.3	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-39.3	176.4	-56.2	0	0	0	0	111.6	G409 P475 V476 L482 L483	G409-S479 PolarHBondContact O-OG 2.89Å; P475-S479 WeakPolarHBondContact O-CB 3.43Å; P475-S479 PolarHBondContact O-N 3.36Å; P475-S479 PolarHBondContact O-OG 3.46Å; V476-S479 PolarHBondContact O-N 3.12Å; S479-L482 PolarHBondContact O-N 3.4Å; S479-L483 WeakPolarHBondContact O-CB 3.38Å; S479-L483 VanDerWaalsContact O-CG 3.27Å; S479-L483 WeakPolarHBondContact O-CG 3.2Å; S479-L483 PolarHBondContact O-N 3.34Å
480	I	70.9	Confident	73.1	Confident	18 Å²	18	50.5 Å²	50.5	9%	0.092	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-40.9	173.9	-68	166.3	0	0	0	111.7	V476 V477 W478 K484 F503 Y507	V476-I480 HydrophobicContact CG1-CD1 4.26Å; V476-I480 VanDerWaalsContact O-CG1 3.27Å; V476-I480 WeakPolarHBondContact O-CG1 3.35Å; V476-I480 PolarHBondContact O-N 3.45Å; V477-I480 PolarHBondContact O-N 3.05Å; W478-I480 VanDerWaalsContact C-N 3.27Å; W478-I480 PolarHBondContact O-N 3.15Å; I480-K484 HydrophobicContact CG2-CD 4.26Å; I480-K484 WeakPolarHBondContact O-CB 3.27Å; I480-K484 VanDerWaalsContact O-CG 3.29Å; I480-K484 WeakPolarHBondContact O-CG 3.35Å; I480-K484 PolarHBondContact O-N 2.83Å; I480-F503 HydrophobicContact CG1-CB 4.14Å; I480-Y507 HydrophobicContact CD1-CD1 4.47Å; I480-Y507 HydrophobicContact CD1-CG 4.23Å
481	K	77	Confident	72.1	Confident	131 Å²	131	52.9 Å²	52.9	57%	0.57	30%	0.298	S	S	*	.	H	α-helix	trans	-64.9	-44.4	177.4	-76.4	-178.1	177.9	-174.8	0	111.5	V477 W478 K484 A485	V477-K481 WeakPolarHBondContact O-CG 3.45Å; V477-K481 PolarHBondContact O-N 3.17Å; W478-K481 WeakPolarHBondContact O-CA 3.33Å; W478-K481 WeakPolarHBondContact O-CB 3.32Å; W478-K481 PolarHBondContact O-N 3.32Å; K481-K484 WeakPolarHBondContact O-CB 3.21Å; K481-K484 PolarHBondContact O-N 2.98Å; K481-A485 PolarHBondContact O-N 3.44Å
482	L	69.5	Low	71.2	Confident	48 Å²	48	55.4 Å²	55.4	25%	0.251	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-48.4	177.7	-178.3	64.8	0	0	0	111.3	W478 S479 K484 A485 A486 M577 M580	W478-L482 PolarHBondContact O-N 2.92Å; S479-L482 PolarHBondContact O-N 3.4Å; L482-K484 VanDerWaalsContact C-N 3.29Å; L482-K484 PolarHBondContact O-N 3.42Å; L482-A485 PolarHBondContact O-N 3.39Å; L482-A485 VanDerWaalsContact O-N 3.14Å; L482-A486 PolarHBondContact O-N 3.5Å; L482-M577 HydrophobicContact CD1-CG 4.47Å; L482-M577 HydrophobicContact CD2-CG 4.48Å; L482-M580 HydrophobicContact CD1-SD 4.19Å
483	L	68.7	Low	70.6	Confident	27 Å²	27	56.6 Å²	56.6	14%	0.141	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-33.6	178	-71.9	168.6	0	0	0	112.7	S479 S487 N499 L500 F503	S479-L483 WeakPolarHBondContact O-CB 3.38Å; S479-L483 VanDerWaalsContact O-CG 3.27Å; S479-L483 WeakPolarHBondContact O-CG 3.2Å; S479-L483 PolarHBondContact O-N 3.34Å; L483-S487 WeakPolarHBondContact O-CB 3.47Å; L483-S487 PolarHBondContact O-N 2.91Å; L483-N499 HydrophobicContact CD1-CB 4.41Å; L483-N499 HydrophobicContact CD2-CB 4.29Å; L483-L500 HydrophobicContact CB-CB 4.46Å; L483-F503 HydrophobicContact CD1-CD2 3.32Å; L483-F503 HydrophobicContact CD1-CE2 3.71Å; L483-F503 HydrophobicContact CD1-CG 4.2Å
484	K	72.3	Confident	69.9	Low	111 Å²	111	58.5 Å²	58.5	48%	0.483	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-46.3	172.2	-80.3	177.2	179.8	-178.3	0	111.4	I480 K481 L482 S487 Q488 L500	I480-K484 HydrophobicContact CG2-CD 4.26Å; I480-K484 WeakPolarHBondContact O-CB 3.27Å; I480-K484 VanDerWaalsContact O-CG 3.29Å; I480-K484 WeakPolarHBondContact O-CG 3.35Å; I480-K484 PolarHBondContact O-N 2.83Å; K481-K484 WeakPolarHBondContact O-CB 3.21Å; K481-K484 PolarHBondContact O-N 2.98Å; L482-K484 VanDerWaalsContact C-N 3.29Å; L482-K484 PolarHBondContact O-N 3.42Å; K484-S487 PolarHBondContact O-N 3.48Å; K484-S487 PolarHBondContact O-OG 3.31Å; K484-Q488 PolarHBondContact O-N 3.12Å; K484-L500 HydrophobicContact CB-CD1 4.36Å; K484-L500 HydrophobicContact CD-CD1 4.43Å; K484-L500 HydrophobicContact CG-CD1 3.35Å; K484-L500 HydrophobicContact CG-CG 4.39Å
485	A	69.6	Low	69.1	Low	33 Å²	33	57.3 Å²	57.3	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-48.1	178.5	0	0	0	0	0	111.2	K481 L482 S487 Q488 M580	K481-A485 PolarHBondContact O-N 3.44Å; L482-A485 PolarHBondContact O-N 3.39Å; L482-A485 VanDerWaalsContact O-N 3.14Å; A485-S487 VanDerWaalsContact C-N 3.28Å; A485-S487 PolarHBondContact O-N 3.08Å; A485-Q488 PolarHBondContact O-N 3.29Å; A485-Q488 VanDerWaalsContact O-N 3.08Å; A485-M580 HydrophobicContact CB-CE 3.88Å; A485-M580 HydrophobicContact CB-SD 3.87Å
486	A	66	Low	68.7	Low	16 Å²	16	57.7 Å²	57.7	13%	0.132	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-33.6	177.3	0	0	0	0	0	112.9	L482 Q488 T489 D490 N496	L482-A486 PolarHBondContact O-N 3.5Å; A486-Q488 PolarHBondContact O-N 3.45Å; A486-T489 PolarHBondContact O-N 2.93Å; A486-D490 PolarHBondContact O-N 2.82Å; A486-N496 PolarHBondContact O-ND2 3.18Å
487	S	68.7	Low	68.4	Low	25 Å²	25	61.8 Å²	61.8	18%	0.175	36%	0.357	C	S	.	.	H	α-helix	trans	-66.6	-20.8	176.4	75.5	0	0	0	0	114.3	L483 K484 A485	L483-S487 WeakPolarHBondContact O-CB 3.47Å; L483-S487 PolarHBondContact O-N 2.91Å; K484-S487 PolarHBondContact O-N 3.48Å; K484-S487 PolarHBondContact O-OG 3.31Å; A485-S487 VanDerWaalsContact C-N 3.28Å; A485-S487 PolarHBondContact O-N 3.08Å
488	Q	68.9	Low	67.8	Low	170 Å²	170	64.4 Å²	64.4	79%	0.794	36%	0.362	S	S	*	.	H	α-helix	trans	-85.8	-22	-179.7	-70.2	-176.4	-22.4	0	0	113	K484 A485 A486	K484-Q488 PolarHBondContact O-N 3.12Å; A485-Q488 PolarHBondContact O-N 3.29Å; A485-Q488 VanDerWaalsContact O-N 3.08Å; A486-Q488 PolarHBondContact O-N 3.45Å
489	T	67.7	Low	67.3	Low	99 Å²	99	62.6 Å²	62.6	61%	0.607	36%	0.355	S	S	*	.	H	α-helix	trans	-111.7	-16.2	-172.3	53	0	0	0	0	114.5	A486	A486-T489 PolarHBondContact O-N 2.93Å
490	D	60.5	Low	67.1	Low	58 Å²	58	62.8 Å²	62.8	31%	0.31	36%	0.355	S	S	.	.			trans	-103.7	141.1	-175	-82.5	-36.4	0	0	0	115.7	A486 K492 A493	A486-D490 PolarHBondContact O-N 2.82Å; D490-K492 HydrophobicContact CB-CB 4.42Å; D490-K492 PolarHBondContact O-N 3.48Å; D490-A493 PolarHBondContact O-N 3.49Å
491	G	63.3	Low	67	Low	94 Å²	94	70.2 Å²	70.2	97%	0.969	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-7.2	165.2	0	0	0	0	0	114.2
492	K	64.5	Low	66.6	Low	78 Å²	78	65.3 Å²	65.3	34%	0.339	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	19.8	173	-63.9	-179.5	-176.4	169.4	0	113.2	D490 A494 I495 N496 D570	D490-K492 HydrophobicContact CB-CB 4.42Å; D490-K492 PolarHBondContact O-N 3.48Å; K492-A494 PolarHBondContact O-N 3.31Å; K492-I495 PolarHBondContact O-N 2.92Å; K492-N496 PolarHBondContact O-N 3.17Å; K492-D570 IonicContact NZ-OD1 2.81Å; K492-D570 PolarHBondContact NZ-OD1 2.81Å; K492-D570 IonicContact NZ-OD2 2.72Å; K492-D570 PolarHBondContact NZ-OD2 3.44Å
493	A	66.3	Low	66.7	Low	32 Å²	32	63.7 Å²	63.7	26%	0.264	35%	0.353	S	S	.	.	H	α-helix	trans	-46.5	-36.9	-177	0	0	0	0	0	114.8	D490 I495 N496 L497	D490-A493 PolarHBondContact O-N 3.49Å; A493-I495 PolarHBondContact O-N 3.42Å; A493-N496 PolarHBondContact O-N 3.09Å; A493-L497 VanDerWaalsContact O-CB 3.28Å; A493-L497 WeakPolarHBondContact O-CB 3.25Å; A493-L497 WeakPolarHBondContact O-CD1 3.33Å; A493-L497 WeakPolarHBondContact O-CG 3.13Å; A493-L497 PolarHBondContact O-N 3.33Å
494	A	65.8	Low	67.3	Low	80 Å²	80	67.9 Å²	67.9	66%	0.661	37%	0.367	S	S	*	.	H	α-helix	trans	-62.8	-39.1	178	0	0	0	0	0	113.5	K492 R498	K492-A494 PolarHBondContact O-N 3.31Å; A494-R498 WeakPolarHBondContact O-CB 3.48Å; A494-R498 PolarHBondContact O-N 3.31Å
495	I	63.9	Low	67.8	Low	75 Å²	75	67.8 Å²	67.8	39%	0.385	37%	0.368	S	S	.	.	H	α-helix	trans	-70.8	-45.9	178.3	-60.8	174.4	0	0	0	109.4	K492 A493 L497 R498 N499	K492-I495 PolarHBondContact O-N 2.92Å; A493-I495 PolarHBondContact O-N 3.42Å; I495-L497 VanDerWaalsContact C-N 3.33Å; I495-L497 PolarHBondContact O-N 2.94Å; I495-R498 WeakPolarHBondContact O-CB 3.49Å; I495-R498 PolarHBondContact O-N 2.91Å; I495-R498 VanDerWaalsContact O-N 3.13Å; I495-N499 PolarHBondContact O-N 3.19Å; I495-N499 PolarHBondContact O-OD1 3.39Å
496	N	64.1	Low	68.5	Low	10 Å²	10	66.2 Å²	66.2	5%	0.053	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-39.7	177.4	-70.7	-12.6	0	0	0	112	A486 K492 A493 N499 L500	A486-N496 PolarHBondContact O-ND2 3.18Å; K492-N496 PolarHBondContact O-N 3.17Å; A493-N496 PolarHBondContact O-N 3.09Å; N496-N499 PolarHBondContact O-N 3.08Å; N496-L500 WeakPolarHBondContact O-CB 3.41Å; N496-L500 PolarHBondContact O-N 3.47Å
497	L	65.9	Low	69.3	Low	87 Å²	87	68.2 Å²	68.2	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-66.3	-38.1	174.1	-74.1	169.9	0	0	0	112.7	A493 I495 L500 R501	A493-L497 VanDerWaalsContact O-CB 3.28Å; A493-L497 WeakPolarHBondContact O-CB 3.25Å; A493-L497 WeakPolarHBondContact O-CD1 3.33Å; A493-L497 WeakPolarHBondContact O-CG 3.13Å; A493-L497 PolarHBondContact O-N 3.33Å; I495-L497 VanDerWaalsContact C-N 3.33Å; I495-L497 PolarHBondContact O-N 2.94Å; L497-L500 PolarHBondContact O-N 3.12Å; L497-R501 PolarHBondContact O-N 2.84Å
498	R	64.3	Low	70.2	Confident	106 Å²	106	71 Å²	71	40%	0.4	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-46.7	174.6	-171.4	177.9	73.2	162.3	3.4	110.5	A494 I495 L500 R501 L502 P562	A494-R498 WeakPolarHBondContact O-CB 3.48Å; A494-R498 PolarHBondContact O-N 3.31Å; I495-R498 WeakPolarHBondContact O-CB 3.49Å; I495-R498 PolarHBondContact O-N 2.91Å; I495-R498 VanDerWaalsContact O-N 3.13Å; R498-L500 VanDerWaalsContact C-N 3.34Å; R498-L500 PolarHBondContact O-N 3.22Å; R498-R501 PolarHBondContact O-N 2.94Å; R498-L502 PolarHBondContact O-N 3.36Å; R498-P562 HydrophobicContact CG-CB 4.31Å; R498-P562 HydrophobicContact CG-CG 4.35Å
499	N	64.3	Low	71.3	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.032	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-37.8	177.8	-66	-4.6	0	0	0	111.4	L483 I495 N496 R501 L502 F503	L483-N499 HydrophobicContact CD1-CB 4.41Å; L483-N499 HydrophobicContact CD2-CB 4.29Å; I495-N499 PolarHBondContact O-N 3.19Å; I495-N499 PolarHBondContact O-OD1 3.39Å; N496-N499 PolarHBondContact O-N 3.08Å; N499-R501 PolarHBondContact O-N 3.39Å; N499-L502 WeakPolarHBondContact O-CB 3.49Å; N499-L502 PolarHBondContact O-N 2.93Å; N499-F503 VanDerWaalsContact O-CD2 3.3Å; N499-F503 WeakPolarHBondContact O-CD2 3.46Å; N499-F503 PolarHBondContact O-N 2.97Å; N499-F503 VanDerWaalsContact O-N 3.08Å
500	L	66	Low	72.3	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-42	177.1	-168.9	167.2	0	0	0	112.8	L483 K484 N496 L497 R498 L502 R504	L483-L500 HydrophobicContact CB-CB 4.46Å; K484-L500 HydrophobicContact CB-CD1 4.36Å; K484-L500 HydrophobicContact CD-CD1 4.43Å; K484-L500 HydrophobicContact CG-CD1 3.35Å; K484-L500 HydrophobicContact CG-CG 4.39Å; N496-L500 WeakPolarHBondContact O-CB 3.41Å; N496-L500 PolarHBondContact O-N 3.47Å; L497-L500 PolarHBondContact O-N 3.12Å; R498-L500 VanDerWaalsContact C-N 3.34Å; R498-L500 PolarHBondContact O-N 3.22Å; L500-L502 PolarHBondContact O-N 3.29Å; L500-R504 WeakPolarHBondContact O-CB 3.29Å; L500-R504 PolarHBondContact O-N 3.08Å
501	R	70.1	Confident	73.7	Confident	175 Å²	175	59.6 Å²	59.6	66%	0.66	31%	0.312	S	S	*	.	H	α-helix	trans	-60.1	-36.1	176.2	-71.9	-176.6	-177.4	-178.8	1.2	111.6	L497 R498 N499 H505	L497-R501 PolarHBondContact O-N 2.84Å; R498-R501 PolarHBondContact O-N 2.94Å; N499-R501 PolarHBondContact O-N 3.39Å; R501-H505 PolarHBondContact O-N 3.35Å; R501-H505 VanDerWaalsContact O-N 3.14Å
502	L	67.8	Low	75.1	Confident	28 Å²	28	57.7 Å²	57.7	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-56	-178.6	-160.6	70.6	0	0	0	111.8	F414 R498 N499 L500 R504 H505 F506 P562 Y563	F414-L502 HydrophobicContact CZ-CD2 4.46Å; R498-L502 PolarHBondContact O-N 3.36Å; N499-L502 WeakPolarHBondContact O-CB 3.49Å; N499-L502 PolarHBondContact O-N 2.93Å; L500-L502 PolarHBondContact O-N 3.29Å; L502-R504 PolarHBondContact O-N 3.21Å; L502-H505 PolarHBondContact O-N 3Å; L502-F506 PolarHBondContact O-N 3.25Å; L502-F506 VanDerWaalsContact O-N 3.13Å; L502-P562 HydrophobicContact CD2-CB 3.98Å; L502-Y563 HydrophobicContact CB-CE1 4.42Å; L502-Y563 HydrophobicContact CD1-CD1 4.32Å; L502-Y563 HydrophobicContact CD1-CD2 3.91Å; L502-Y563 HydrophobicContact CD1-CE1 3.8Å; L502-Y563 HydrophobicContact CD1-CE2 3.32Å; L502-Y563 HydrophobicContact CD1-CG 4.38Å; L502-Y563 WeakPolarHBondContact CD1-OH 3.44Å; L502-Y563 HydrophobicContact CD2-CD1 3.17Å; L502-Y563 HydrophobicContact CD2-CD2 3.89Å; L502-Y563 HydrophobicContact CD2-CE1 3.32Å; L502-Y563 HydrophobicContact CD2-CE2 4.01Å; L502-Y563 HydrophobicContact CD2-CG 3.48Å; L502-Y563 VanDerWaalsContact CD2-CG 3.48Å; L502-Y563 HydrophobicContact CG-CD1 3.65Å; L502-Y563 HydrophobicContact CG-CD2 4.15Å; L502-Y563 HydrophobicContact CG-CE1 3.17Å; L502-Y563 HydrophobicContact CG-CE2 3.73Å; L502-Y563 HydrophobicContact CG-CG 4.12Å; L502-Y563 WeakPolarHBondContact CG-OH 3.47Å
503	F	72.6	Confident	76.4	Confident	13 Å²	13	55.4 Å²	55.4	6%	0.057	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-32.6	175.8	-79.2	-75.7	0	0	0	112.7	F414 I480 L483 N499 Y507	F414-F503 HydrophobicContact CD2-CE2 4.31Å; F414-F503 AromaticContact CD2-CZ 3.75Å; F414-F503 HydrophobicContact CD2-CZ 3.75Å; F414-F503 HydrophobicContact CE2-CE1 4.42Å; F414-F503 AromaticContact CE2-CE2 3.83Å; F414-F503 HydrophobicContact CE2-CE2 3.83Å; F414-F503 AromaticContact CE2-CZ 3.46Å; F414-F503 HydrophobicContact CE2-CZ 3.46Å; F414-F503 VanDerWaalsContact CE2-CZ 3.46Å; F414-F503 HydrophobicContact CZ-CE2 4.23Å; F414-F503 HydrophobicContact CZ-CZ 4.31Å; I480-F503 HydrophobicContact CG1-CB 4.14Å; L483-F503 HydrophobicContact CD1-CD2 3.32Å; L483-F503 HydrophobicContact CD1-CE2 3.71Å; L483-F503 HydrophobicContact CD1-CG 4.2Å; N499-F503 VanDerWaalsContact O-CD2 3.3Å; N499-F503 WeakPolarHBondContact O-CD2 3.46Å; N499-F503 PolarHBondContact O-N 2.97Å; N499-F503 VanDerWaalsContact O-N 3.08Å; F503-Y507 WeakPolarHBondContact O-CB 3.37Å; F503-Y507 PolarHBondContact O-N 2.9Å
504	R	79.7	Confident	77.6	Confident	115 Å²	115	55.2 Å²	55.2	43%	0.434	27%	0.268	S	S	.	.	H	α-helix	trans	-65.8	-39	174.7	-173.4	177.9	67.4	-128.5	4.8	112.3	L500 L502 Y507 I508	L500-R504 WeakPolarHBondContact O-CB 3.29Å; L500-R504 PolarHBondContact O-N 3.08Å; L502-R504 PolarHBondContact O-N 3.21Å; R504-Y507 WeakPolarHBondContact O-CB 3.36Å; R504-Y507 PolarHBondContact O-N 3.37Å; R504-I508 HydrophobicContact CG-CD1 4.14Å; R504-I508 WeakPolarHBondContact O-CD1 3.45Å; R504-I508 VanDerWaalsContact O-CG1 3.28Å; R504-I508 WeakPolarHBondContact O-CG1 3.45Å; R504-I508 PolarHBondContact O-N 2.89Å; R504-I508 VanDerWaalsContact O-N 3.09Å
505	H	83.5	Confident	78.8	Confident	109 Å²	109	57.1 Å²	57.1	51%	0.505	26%	0.259	S	S	.	.	H	α-helix	trans	-67.8	-47.2	178.3	-164.6	59.8	0	0	0	110.8	R501 L502 Y507 I508 L509 E554	R501-H505 PolarHBondContact O-N 3.35Å; R501-H505 VanDerWaalsContact O-N 3.14Å; L502-H505 PolarHBondContact O-N 3Å; H505-Y507 VanDerWaalsContact C-N 3.32Å; H505-Y507 PolarHBondContact O-N 3.33Å; H505-I508 PolarHBondContact O-N 3.04Å; H505-L509 WeakPolarHBondContact O-CB 3.46Å; H505-L509 PolarHBondContact O-N 3.08Å; H505-E554 VanDerWaalsContact CD2-CD 3.41Å; H505-E554 IonicContact CD2-OE1 2.61Å; H505-E554 PolarHBondContact CD2-OE1 3.47Å; H505-E554 IonicContact CD2-OE2 3.97Å; H505-E554 IonicContact NE2-OE1 3.67Å; H505-E554 PolarHBondContact NE2-OE1 2.97Å
506	F	83.6	Confident	80.2	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-42	173.8	179.5	-109.9	0	0	0	112.4	I405 I408 L502 I508 L509 V510 V551 F555	I405-F506 HydrophobicContact CG2-CZ 4.39Å; I408-F506 HydrophobicContact CB-CE1 4.1Å; I408-F506 HydrophobicContact CB-CE2 4.41Å; I408-F506 HydrophobicContact CB-CZ 3.78Å; I408-F506 HydrophobicContact CD1-CZ 4.46Å; I408-F506 HydrophobicContact CG2-CD1 3.97Å; I408-F506 HydrophobicContact CG2-CD2 4.1Å; I408-F506 HydrophobicContact CG2-CE1 3.51Å; I408-F506 HydrophobicContact CG2-CE2 3.64Å; I408-F506 HydrophobicContact CG2-CG 4.24Å; I408-F506 HydrophobicContact CG2-CZ 3.32Å; L502-F506 PolarHBondContact O-N 3.25Å; L502-F506 VanDerWaalsContact O-N 3.13Å; F506-I508 PolarHBondContact O-N 3.31Å; F506-L509 WeakPolarHBondContact O-CB 3.22Å; F506-L509 PolarHBondContact O-N 2.89Å; F506-V510 HydrophobicContact CD1-CG2 4.24Å; F506-V510 HydrophobicContact CD2-CG2 4.23Å; F506-V510 HydrophobicContact CE1-CG2 3.76Å; F506-V510 HydrophobicContact CE2-CG2 3.75Å; F506-V510 HydrophobicContact CG-CG2 4.47Å; F506-V510 HydrophobicContact CZ-CG2 3.49Å; F506-V510 VanDerWaalsContact CZ-CG2 3.49Å; F506-V510 WeakPolarHBondContact O-CG2 3.5Å; F506-V510 PolarHBondContact O-N 3.21Å; F506-V551 HydrophobicContact CE2-CG2 4.21Å; F506-F555 HydrophobicContact CB-CZ 4.5Å; F506-F555 AromaticContact CD2-CE2 3.6Å; F506-F555 HydrophobicContact CD2-CE2 3.6Å; F506-F555 HydrophobicContact CD2-CZ 4.02Å; F506-F555 HydrophobicContact CE2-CE2 4.05Å; F506-F555 HydrophobicContact CE2-CZ 4.46Å; F506-F555 HydrophobicContact CG-CE2 4.16Å; F506-F555 HydrophobicContact CG-CZ 4.17Å
507	Y	83.8	Confident	81.5	Confident	58 Å²	58	57.9 Å²	57.9	23%	0.227	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-48.9	175	178.8	-113.3	0	0	0	112.6	L473 V476 V477 I480 F503 R504 H505 L509 V510 I511	L473-Y507 HydrophobicContact CB-CE2 4.29Å; L473-Y507 HydrophobicContact CD2-CD2 4.37Å; L473-Y507 HydrophobicContact CD2-CE2 3.97Å; V476-Y507 HydrophobicContact CB-CD2 3.76Å; V476-Y507 HydrophobicContact CB-CE2 4.45Å; V476-Y507 HydrophobicContact CG1-CD2 3.48Å; V476-Y507 VanDerWaalsContact CG1-CD2 3.48Å; V476-Y507 HydrophobicContact CG1-CG 3.9Å; V477-Y507 HydrophobicContact CG2-CE2 3.64Å; I480-Y507 HydrophobicContact CD1-CD1 4.47Å; I480-Y507 HydrophobicContact CD1-CG 4.23Å; F503-Y507 WeakPolarHBondContact O-CB 3.37Å; F503-Y507 PolarHBondContact O-N 2.9Å; R504-Y507 WeakPolarHBondContact O-CB 3.36Å; R504-Y507 PolarHBondContact O-N 3.37Å; H505-Y507 VanDerWaalsContact C-N 3.32Å; H505-Y507 PolarHBondContact O-N 3.33Å; Y507-L509 VanDerWaalsContact C-N 3.31Å; Y507-L509 PolarHBondContact O-N 2.9Å; Y507-V510 PolarHBondContact O-N 3.39Å; Y507-I511 HydrophobicContact CD1-CD1 3.95Å; Y507-I511 HydrophobicContact CD2-CD1 4.23Å; Y507-I511 HydrophobicContact CE1-CD1 3.33Å; Y507-I511 HydrophobicContact CE1-CG1 4.49Å; Y507-I511 HydrophobicContact CE2-CD1 3.67Å; Y507-I511 HydrophobicContact CE2-CG1 4.26Å; Y507-I511 HydrophobicContact CG-CD1 4.38Å; Y507-I511 WeakPolarHBondContact O-CG1 3.43Å; Y507-I511 PolarHBondContact O-N 3Å; Y507-I511 WeakPolarHBondContact OH-CD1 3.48Å
508	I	88.2	Confident	82.6	Confident	84 Å²	84	57.9 Å²	57.9	43%	0.431	25%	0.254	S	S	.	.	H	α-helix	trans	-62.6	-42.8	178.2	-68.1	164.5	0	0	0	109.9	R504 H505 F506 V510 I511 C512	R504-I508 HydrophobicContact CG-CD1 4.14Å; R504-I508 WeakPolarHBondContact O-CD1 3.45Å; R504-I508 VanDerWaalsContact O-CG1 3.28Å; R504-I508 WeakPolarHBondContact O-CG1 3.45Å; R504-I508 PolarHBondContact O-N 2.89Å; R504-I508 VanDerWaalsContact O-N 3.09Å; H505-I508 PolarHBondContact O-N 3.04Å; F506-I508 PolarHBondContact O-N 3.31Å; I508-V510 PolarHBondContact O-N 3.29Å; I508-I511 PolarHBondContact O-N 3.47Å; I508-C512 WeakPolarHBondContact O-CB 3.49Å; I508-C512 PolarHBondContact O-N 2.87Å; I508-C512 PolarHBondContact O-SG 3.01Å
509	L	90.5	Very high	83.8	Confident	25 Å²	25	55.8 Å²	55.8	13%	0.131	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-46.5	178	-173.2	163	0	0	0	111.2	H505 F506 Y507 C512 Y513 F547 V551 E554	H505-L509 WeakPolarHBondContact O-CB 3.46Å; H505-L509 PolarHBondContact O-N 3.08Å; F506-L509 WeakPolarHBondContact O-CB 3.22Å; F506-L509 PolarHBondContact O-N 2.89Å; Y507-L509 VanDerWaalsContact C-N 3.31Å; Y507-L509 PolarHBondContact O-N 2.9Å; L509-C512 PolarHBondContact O-N 3.46Å; L509-Y513 WeakPolarHBondContact O-CB 3.43Å; L509-Y513 PolarHBondContact O-N 3.36Å; L509-F547 HydrophobicContact CD2-CD2 3.16Å; L509-F547 HydrophobicContact CD2-CE2 3.14Å; L509-F547 HydrophobicContact CD2-CG 4.34Å; L509-F547 HydrophobicContact CD2-CZ 4.3Å; L509-F547 HydrophobicContact CG-CD2 4.44Å; L509-V551 HydrophobicContact CD1-CG2 4.41Å; L509-V551 HydrophobicContact CD2-CG2 3.71Å; L509-E554 WeakPolarHBondContact CD1-OE1 3.3Å
510	V	89.1	Confident	85.2	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-43.2	176.6	173	0	0	0	0	111.5	I405 I472 L473 F506 Y507 I508 Y513 V514 F547	I405-V510 HydrophobicContact CG2-CG1 4.43Å; I405-V510 HydrophobicContact CG2-CG2 4.29Å; I472-V510 HydrophobicContact CG2-CG1 4.39Å; L473-V510 HydrophobicContact CD2-CG1 4.19Å; F506-V510 HydrophobicContact CD1-CG2 4.24Å; F506-V510 HydrophobicContact CD2-CG2 4.23Å; F506-V510 HydrophobicContact CE1-CG2 3.76Å; F506-V510 HydrophobicContact CE2-CG2 3.75Å; F506-V510 HydrophobicContact CG-CG2 4.47Å; F506-V510 HydrophobicContact CZ-CG2 3.49Å; F506-V510 VanDerWaalsContact CZ-CG2 3.49Å; F506-V510 WeakPolarHBondContact O-CG2 3.5Å; F506-V510 PolarHBondContact O-N 3.21Å; Y507-V510 PolarHBondContact O-N 3.39Å; I508-V510 PolarHBondContact O-N 3.29Å; V510-Y513 WeakPolarHBondContact O-CB 3.31Å; V510-Y513 PolarHBondContact O-N 3.37Å; V510-V514 HydrophobicContact CG1-CG2 4.42Å; V510-V514 WeakPolarHBondContact O-CG2 3.08Å; V510-V514 PolarHBondContact O-N 3.25Å; V510-F547 HydrophobicContact CG2-CE2 4.29Å
511	I	90.3	Very high	86.4	Confident	59 Å²	59	57.4 Å²	57.4	30%	0.303	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-47.9	176	-75.8	-179.4	0	0	0	111.3	L473 Y507 I508 Y513 V514 Y515	L473-I511 HydrophobicContact CD1-CD1 4.45Å; L473-I511 HydrophobicContact CD1-CG1 4.17Å; L473-I511 HydrophobicContact CD2-CD1 4.25Å; L473-I511 HydrophobicContact CD2-CG1 3.54Å; Y507-I511 HydrophobicContact CD1-CD1 3.95Å; Y507-I511 HydrophobicContact CD2-CD1 4.23Å; Y507-I511 HydrophobicContact CE1-CD1 3.33Å; Y507-I511 HydrophobicContact CE1-CG1 4.49Å; Y507-I511 HydrophobicContact CE2-CD1 3.67Å; Y507-I511 HydrophobicContact CE2-CG1 4.26Å; Y507-I511 HydrophobicContact CG-CD1 4.38Å; Y507-I511 WeakPolarHBondContact O-CG1 3.43Å; Y507-I511 PolarHBondContact O-N 3Å; Y507-I511 WeakPolarHBondContact OH-CD1 3.48Å; I508-I511 PolarHBondContact O-N 3.47Å; I511-Y513 VanDerWaalsContact C-N 3.3Å; I511-Y513 PolarHBondContact O-N 3.5Å; I511-V514 PolarHBondContact O-N 3.48Å; I511-Y515 VanDerWaalsContact O-CB 3.26Å; I511-Y515 WeakPolarHBondContact O-CB 3.27Å; I511-Y515 PolarHBondContact O-N 3.49Å
512	C	92.5	Very high	87.2	Confident	55 Å²	55	56 Å²	56	37%	0.372	26%	0.258	S	S	.	.	H	α-helix	trans	-57.8	-46.6	177.2	-73.4	0	0	0	0	110.4	I508 L509 V514 Y515 F516	I508-C512 WeakPolarHBondContact O-CB 3.49Å; I508-C512 PolarHBondContact O-N 2.87Å; I508-C512 PolarHBondContact O-SG 3.01Å; L509-C512 PolarHBondContact O-N 3.46Å; C512-V514 PolarHBondContact O-N 2.95Å; C512-Y515 PolarHBondContact O-N 3.43Å; C512-F516 HydrophobicContact CB-CD2 4.48Å; C512-F516 WeakPolarHBondContact O-CD2 3.5Å; C512-F516 PolarHBondContact O-N 2.99Å
513	Y	92.4	Very high	88.3	Confident	29 Å²	29	58.8 Å²	58.8	11%	0.114	27%	0.273	C	S	.	.	H	α-helix	trans	-57.4	-49.5	177	172.9	-111.6	0	0	0	112.7	L509 V510 I511 F516 T517 V543 T544 F547	L509-Y513 WeakPolarHBondContact O-CB 3.43Å; L509-Y513 PolarHBondContact O-N 3.36Å; V510-Y513 WeakPolarHBondContact O-CB 3.31Å; V510-Y513 PolarHBondContact O-N 3.37Å; I511-Y513 VanDerWaalsContact C-N 3.3Å; I511-Y513 PolarHBondContact O-N 3.5Å; Y513-F516 PolarHBondContact O-N 2.83Å; Y513-T517 HydrophobicContact CD2-CG2 3.85Å; Y513-T517 HydrophobicContact CE2-CG2 3.43Å; Y513-T517 VanDerWaalsContact CE2-CG2 3.43Å; Y513-T517 WeakPolarHBondContact O-CB 3.29Å; Y513-T517 WeakPolarHBondContact O-CG2 3.49Å; Y513-T517 PolarHBondContact O-N 3.46Å; Y513-T517 PolarHBondContact O-OG1 3.23Å; Y513-V543 HydrophobicContact CD2-CG1 3.96Å; Y513-V543 HydrophobicContact CE2-CG1 4.37Å; Y513-T544 HydrophobicContact CE2-CG2 4.37Å; Y513-F547 VanDerWaalsContact CB-CD2 3.44Å; Y513-F547 HydrophobicContact CD1-CD1 4.37Å; Y513-F547 HydrophobicContact CD1-CD2 4.08Å; Y513-F547 HydrophobicContact CD1-CE1 4.36Å; Y513-F547 HydrophobicContact CD1-CE2 4.02Å; Y513-F547 HydrophobicContact CD1-CG 4.28Å; Y513-F547 HydrophobicContact CD1-CZ 4.19Å; Y513-F547 HydrophobicContact CD2-CB 3.58Å; Y513-F547 HydrophobicContact CD2-CD1 4.11Å; Y513-F547 AromaticContact CD2-CD2 3.86Å; Y513-F547 HydrophobicContact CD2-CD2 3.86Å; Y513-F547 AromaticContact CD2-CG 3.59Å; Y513-F547 HydrophobicContact CD2-CG 3.59Å; Y513-F547 HydrophobicContact CE1-CD1 4.41Å; Y513-F547 HydrophobicContact CE1-CE1 4.41Å; Y513-F547 HydrophobicContact CE2-CB 4.06Å; Y513-F547 HydrophobicContact CE2-CD1 4.16Å; Y513-F547 HydrophobicContact CE2-CG 4.07Å; Y513-F547 HydrophobicContact CG-CB 4.17Å; Y513-F547 HydrophobicContact CG-CD1 4.22Å; Y513-F547 AromaticContact CG-CD2 3.51Å; Y513-F547 HydrophobicContact CG-CD2 3.51Å; Y513-F547 AromaticContact CG-CE2 3.89Å; Y513-F547 HydrophobicContact CG-CE2 3.89Å; Y513-F547 AromaticContact CG-CG 3.71Å; Y513-F547 HydrophobicContact CG-CG 3.71Å; Y513-F547 HydrophobicContact CG-CZ 4.44Å
514	V	90.3	Very high	89.2	Confident	28 Å²	28	60 Å²	60	17%	0.17	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-44	177.3	171.8	0	0	0	0	111	C469 V510 I511 C512 F516 T517 R518	C469-V514 HydrophobicContact CB-CG1 3.89Å; V510-V514 HydrophobicContact CG1-CG2 4.42Å; V510-V514 WeakPolarHBondContact O-CG2 3.08Å; V510-V514 PolarHBondContact O-N 3.25Å; I511-V514 PolarHBondContact O-N 3.48Å; C512-V514 PolarHBondContact O-N 2.95Å; V514-F516 PolarHBondContact O-N 3.32Å; V514-T517 PolarHBondContact O-N 3.35Å; V514-T517 PolarHBondContact O-OG1 2.88Å; V514-R518 HydrophobicContact CG1-CG 4.11Å; V514-R518 VanDerWaalsContact O-CB 3.25Å; V514-R518 WeakPolarHBondContact O-CB 3.46Å; V514-R518 VanDerWaalsContact O-CG 3.27Å; V514-R518 WeakPolarHBondContact O-CG 3.38Å; V514-R518 PolarHBondContact O-N 2.86Å
515	Y	91.3	Very high	89.5	Confident	120 Å²	120	58.7 Å²	58.7	47%	0.471	28%	0.284	S	S	.	.	I	π-helix	trans	-60.2	-49.1	179.1	178.7	-99	0	0	0	111.9	I511 C512 V519 I520	I511-Y515 VanDerWaalsContact O-CB 3.26Å; I511-Y515 WeakPolarHBondContact O-CB 3.27Å; I511-Y515 PolarHBondContact O-N 3.49Å; C512-Y515 PolarHBondContact O-N 3.43Å; Y515-V519 HydrophobicContact CD2-CB 4.1Å; Y515-V519 HydrophobicContact CD2-CG2 3.94Å; Y515-V519 HydrophobicContact CE2-CB 4.08Å; Y515-V519 HydrophobicContact CE2-CG1 4.07Å; Y515-V519 HydrophobicContact CE2-CG2 4.21Å; Y515-V519 WeakPolarHBondContact O-CA 3.46Å; Y515-V519 WeakPolarHBondContact O-CB 3.26Å; Y515-V519 PolarHBondContact O-N 2.79Å; Y515-I520 HydrophobicContact CD1-CG1 4.11Å; Y515-I520 HydrophobicContact CE1-CD1 3.72Å; Y515-I520 HydrophobicContact CE1-CG1 3.75Å; Y515-I520 PolarHBondContact O-N 3.48Å
516	F	93.4	Very high	89.6	Confident	86 Å²	86	58.9 Å²	58.9	38%	0.377	29%	0.287	S	S	.	.	I	π-helix	trans	-65.5	-45.4	178.5	-79.8	-67.1	0	0	0	112.2	C512 Y513 V514 I520 V521 F539 V543	C512-F516 HydrophobicContact CB-CD2 4.48Å; C512-F516 WeakPolarHBondContact O-CD2 3.5Å; C512-F516 PolarHBondContact O-N 2.99Å; Y513-F516 PolarHBondContact O-N 2.83Å; V514-F516 PolarHBondContact O-N 3.32Å; F516-I520 HydrophobicContact CD1-CB 4.2Å; F516-I520 HydrophobicContact CD1-CG1 3.78Å; F516-I520 HydrophobicContact CD1-CG2 4.46Å; F516-I520 HydrophobicContact CE1-CG1 4.3Å; F516-I520 WeakPolarHBondContact O-CB 3.48Å; F516-V521 WeakPolarHBondContact O-CG2 3.13Å; F516-V521 PolarHBondContact O-N 3.47Å; F516-V521 VanDerWaalsContact O-N 3.13Å; F516-F539 HydrophobicContact CD1-CE1 4.38Å; F516-F539 AromaticContact CD1-CZ 3.8Å; F516-F539 HydrophobicContact CD1-CZ 3.8Å; F516-F539 HydrophobicContact CE1-CZ 4.45Å; F516-V543 HydrophobicContact CB-CG1 3.71Å; F516-V543 HydrophobicContact CB-CG2 4.07Å
517	T	91.1	Very high	89.8	Confident	15 Å²	15	63.8 Å²	63.8	9%	0.092	32%	0.318	C	S	.	.	I	π-helix	trans	-75.3	-23.2	-176.1	53.8	0	0	0	0	114.5	Y513 V514 V521 V543	Y513-T517 HydrophobicContact CD2-CG2 3.85Å; Y513-T517 HydrophobicContact CE2-CG2 3.43Å; Y513-T517 VanDerWaalsContact CE2-CG2 3.43Å; Y513-T517 WeakPolarHBondContact O-CB 3.29Å; Y513-T517 WeakPolarHBondContact O-CG2 3.49Å; Y513-T517 PolarHBondContact O-N 3.46Å; Y513-T517 PolarHBondContact O-OG1 3.23Å; V514-T517 PolarHBondContact O-N 3.35Å; V514-T517 PolarHBondContact O-OG1 2.88Å; T517-V521 WeakPolarHBondContact O-CB 3.09Å; T517-V543 HydrophobicContact CG2-CB 4.46Å; T517-V543 HydrophobicContact CG2-CG1 3.79Å
518	R	89.6	Confident	90	Very high	87 Å²	87	63 Å²	63	33%	0.328	32%	0.318	S	S	.	.	I	π-helix	trans	-105.6	-53.1	-178.1	-54.7	-53.7	-177.7	172.7	3.1	112.7	D465 V514 Y522	D465-R518 IonicContact OD1-CZ 3.53Å; D465-R518 IonicContact OD1-NE 3.28Å; D465-R518 IonicContact OD1-NH1 2.91Å; D465-R518 PolarHBondContact OD1-NH1 3.34Å; D465-R518 IonicContact OD1-NH2 3.8Å; D465-R518 PolarHBondContact OD1-NH2 2.93Å; D465-R518 VanDerWaalsContact OD2-CD 3.25Å; D465-R518 WeakPolarHBondContact OD2-CD 3.44Å; D465-R518 IonicContact OD2-CZ 3.15Å; D465-R518 IonicContact OD2-NE 3.29Å; D465-R518 PolarHBondContact OD2-NE 3.48Å; D465-R518 VanDerWaalsContact OD2-NE 3.15Å; D465-R518 IonicContact OD2-NH1 2.68Å; D465-R518 PolarHBondContact OD2-NH1 3.2Å; D465-R518 IonicContact OD2-NH2 2.95Å; V514-R518 HydrophobicContact CG1-CG 4.11Å; V514-R518 VanDerWaalsContact O-CB 3.25Å; V514-R518 WeakPolarHBondContact O-CB 3.46Å; V514-R518 VanDerWaalsContact O-CG 3.27Å; V514-R518 WeakPolarHBondContact O-CG 3.38Å; V514-R518 PolarHBondContact O-N 2.86Å; R518-Y522 WeakPolarHBondContact O-CB 3.46Å; R518-Y522 PolarHBondContact O-N 3.25Å
519	V	89.7	Confident	89.8	Confident	62 Å²	62	63 Å²	63	38%	0.376	32%	0.323	S	S	.	.	I	π-helix	trans	-80	-54.8	-175.6	-175.6	0	0	0	0	110.3	Y515 Y522 L523	Y515-V519 HydrophobicContact CD2-CB 4.1Å; Y515-V519 HydrophobicContact CD2-CG2 3.94Å; Y515-V519 HydrophobicContact CE2-CB 4.08Å; Y515-V519 HydrophobicContact CE2-CG1 4.07Å; Y515-V519 HydrophobicContact CE2-CG2 4.21Å; Y515-V519 WeakPolarHBondContact O-CA 3.46Å; Y515-V519 WeakPolarHBondContact O-CB 3.26Å; Y515-V519 PolarHBondContact O-N 2.79Å; V519-Y522 PolarHBondContact O-N 3.36Å; V519-L523 HydrophobicContact CG1-CD1 4.12Å; V519-L523 WeakPolarHBondContact O-CG 3.38Å; V519-L523 PolarHBondContact O-N 3.14Å
520	I	92.8	Very high	89.5	Confident	37 Å²	37	64.2 Å²	64.2	19%	0.19	33%	0.326	C	S	.	.	I	π-helix	trans	-67.3	-43.9	-175.3	-57.4	-58.1	0	0	0	111.4	Y515 F516 Y522 L523 M524 F539	Y515-I520 HydrophobicContact CD1-CG1 4.11Å; Y515-I520 HydrophobicContact CE1-CD1 3.72Å; Y515-I520 HydrophobicContact CE1-CG1 3.75Å; Y515-I520 PolarHBondContact O-N 3.48Å; F516-I520 HydrophobicContact CD1-CB 4.2Å; F516-I520 HydrophobicContact CD1-CG1 3.78Å; F516-I520 HydrophobicContact CD1-CG2 4.46Å; F516-I520 HydrophobicContact CE1-CG1 4.3Å; F516-I520 WeakPolarHBondContact O-CB 3.48Å; I520-Y522 VanDerWaalsContact C-N 3.31Å; I520-Y522 PolarHBondContact O-N 2.81Å; I520-L523 HydrophobicContact CD1-CD1 4.36Å; I520-L523 PolarHBondContact O-N 3.05Å; I520-M524 HydrophobicContact CG2-CG 4.25Å; I520-M524 HydrophobicContact CG2-SD 4.18Å; I520-M524 WeakPolarHBondContact O-CB 3.45Å; I520-M524 VanDerWaalsContact O-CG 3.3Å; I520-M524 WeakPolarHBondContact O-CG 3.27Å; I520-M524 PolarHBondContact O-N 2.91Å; I520-F539 HydrophobicContact CB-CE1 4.19Å; I520-F539 HydrophobicContact CB-CZ 4.5Å; I520-F539 HydrophobicContact CG2-CE1 3.67Å; I520-F539 HydrophobicContact CG2-CZ 3.75Å
521	V	91.6	Very high	89.3	Confident	17 Å²	17	66.1 Å²	66.1	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-59.1	-40.6	174.5	167.6	0	0	0	0	112	F516 T517 M524 T525 V536 F539 K540	F516-V521 WeakPolarHBondContact O-CG2 3.13Å; F516-V521 PolarHBondContact O-N 3.47Å; F516-V521 VanDerWaalsContact O-N 3.13Å; T517-V521 WeakPolarHBondContact O-CB 3.09Å; V521-M524 PolarHBondContact O-N 3.37Å; V521-T525 PolarHBondContact O-N 2.95Å; V521-T525 PolarHBondContact O-OG1 3.48Å; V521-V536 HydrophobicContact CG1-CG1 3.8Å; V521-F539 HydrophobicContact CG2-CD1 3.86Å; V521-F539 HydrophobicContact CG2-CE1 4.22Å; V521-K540 HydrophobicContact CG2-CB 4.04Å
522	Y	88	Confident	89.3	Confident	146 Å²	146	69.5 Å²	69.5	57%	0.573	35%	0.349	S	S	*	.	H	α-helix	trans	-63.4	-46.7	175.6	176.5	-100	0	0	0	111.6	R518 V519 I520 M524 T525 I526	R518-Y522 WeakPolarHBondContact O-CB 3.46Å; R518-Y522 PolarHBondContact O-N 3.25Å; V519-Y522 PolarHBondContact O-N 3.36Å; I520-Y522 VanDerWaalsContact C-N 3.31Å; I520-Y522 PolarHBondContact O-N 2.81Å; Y522-M524 VanDerWaalsContact C-N 3.33Å; Y522-M524 PolarHBondContact O-N 2.91Å; Y522-T525 WeakPolarHBondContact O-CB 3.08Å; Y522-T525 PolarHBondContact O-N 3.28Å; Y522-I526 HydrophobicContact CD1-CD1 4.01Å; Y522-I526 HydrophobicContact CE1-CD1 3.44Å; Y522-I526 VanDerWaalsContact CE1-CD1 3.44Å; Y522-I526 HydrophobicContact CE2-CD1 4.18Å; Y522-I526 PolarHBondContact O-N 2.94Å
523	L	90.9	Very high	89.1	Confident	87 Å²	87	68.9 Å²	68.9	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-61.1	-41.4	175.5	-68	174.7	0	0	0	111.9	V519 I520 T525 I526 T527	V519-L523 HydrophobicContact CG1-CD1 4.12Å; V519-L523 WeakPolarHBondContact O-CG 3.38Å; V519-L523 PolarHBondContact O-N 3.14Å; I520-L523 HydrophobicContact CD1-CD1 4.36Å; I520-L523 PolarHBondContact O-N 3.05Å; L523-T525 VanDerWaalsContact C-N 3.35Å; L523-I526 PolarHBondContact O-N 3.29Å; L523-T527 WeakPolarHBondContact O-CB 3.32Å; L523-T527 VanDerWaalsContact O-CG2 3.32Å; L523-T527 WeakPolarHBondContact O-CG2 3.48Å; L523-T527 PolarHBondContact O-N 2.84Å; L523-T527 PolarHBondContact O-OG1 3.45Å
524	M	91.3	Very high	89.1	Confident	39 Å²	39	71 Å²	71	19%	0.192	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-41.4	174.2	-74.4	-176.2	70	0	0	111.9	I520 V521 Y522 I526 T527 V528 V536 F539	I520-M524 HydrophobicContact CG2-CG 4.25Å; I520-M524 HydrophobicContact CG2-SD 4.18Å; I520-M524 WeakPolarHBondContact O-CB 3.45Å; I520-M524 VanDerWaalsContact O-CG 3.3Å; I520-M524 WeakPolarHBondContact O-CG 3.27Å; I520-M524 PolarHBondContact O-N 2.91Å; V521-M524 PolarHBondContact O-N 3.37Å; Y522-M524 VanDerWaalsContact C-N 3.33Å; Y522-M524 PolarHBondContact O-N 2.91Å; M524-I526 PolarHBondContact O-N 2.95Å; M524-T527 WeakPolarHBondContact CA-OG1 3.08Å; M524-T527 PolarHBondContact O-N 3.31Å; M524-T527 PolarHBondContact O-OG1 3.04Å; M524-V528 HydrophobicContact CB-CG2 4.15Å; M524-V528 HydrophobicContact CE-CG2 4.26Å; M524-V528 WeakPolarHBondContact O-CB 3.43Å; M524-V528 WeakPolarHBondContact O-CG2 3.29Å; M524-V528 PolarHBondContact O-N 2.81Å; M524-V536 HydrophobicContact CB-CG1 4.45Å; M524-V536 HydrophobicContact CB-CG2 4.13Å; M524-F539 HydrophobicContact CE-CB 3.91Å; M524-F539 HydrophobicContact CE-CG 4.09Å; M524-F539 HydrophobicContact SD-CB 4Å; M524-F539 HydrophobicContact SD-CD1 3.54Å; M524-F539 VanDerWaalsContact SD-CD1 3.54Å; M524-F539 HydrophobicContact SD-CD2 4.06Å; M524-F539 HydrophobicContact SD-CE1 3.98Å; M524-F539 HydrophobicContact SD-CE2 4.45Å; M524-F539 HydrophobicContact SD-CG 3.58Å; M524-F539 VanDerWaalsContact SD-CG 3.58Å; M524-F539 HydrophobicContact SD-CZ 4.41Å
525	T	86.3	Confident	89.3	Confident	87 Å²	87	72.5 Å²	72.5	53%	0.534	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-31.2	178.6	-55.5	0	0	0	0	112.3	V521 Y522 L523	V521-T525 PolarHBondContact O-N 2.95Å; V521-T525 PolarHBondContact O-OG1 3.48Å; Y522-T525 WeakPolarHBondContact O-CB 3.08Å; Y522-T525 PolarHBondContact O-N 3.28Å; L523-T525 VanDerWaalsContact C-N 3.35Å
526	I	85.5	Confident	89.4	Confident	112 Å²	112	67.1 Å²	67.1	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-84.8	-32	178.4	-61.9	168.7	0	0	0	111.8	Y522 L523 M524	Y522-I526 HydrophobicContact CD1-CD1 4.01Å; Y522-I526 HydrophobicContact CE1-CD1 3.44Å; Y522-I526 VanDerWaalsContact CE1-CD1 3.44Å; Y522-I526 HydrophobicContact CE2-CD1 4.18Å; Y522-I526 PolarHBondContact O-N 2.94Å; L523-I526 PolarHBondContact O-N 3.29Å; M524-I526 PolarHBondContact O-N 2.95Å
527	T	86.9	Confident	89.4	Confident	105 Å²	105	65.3 Å²	65.3	64%	0.644	33%	0.332	S	S	*	.	H	α-helix	trans	-95	-30.5	-171.7	50.4	0	0	0	0	114	L523 M524	L523-T527 WeakPolarHBondContact O-CB 3.32Å; L523-T527 VanDerWaalsContact O-CG2 3.32Å; L523-T527 WeakPolarHBondContact O-CG2 3.48Å; L523-T527 PolarHBondContact O-N 2.84Å; L523-T527 PolarHBondContact O-OG1 3.45Å; M524-T527 WeakPolarHBondContact CA-OG1 3.08Å; M524-T527 PolarHBondContact O-N 3.31Å; M524-T527 PolarHBondContact O-OG1 3.04Å
528	V	87.3	Confident	89.6	Confident	40 Å²	40	67.7 Å²	67.7	24%	0.242	34%	0.344	C	S	.	.	S	Bend	trans	-75.5	131.3	-176	173.3	0	0	0	0	109.9	M524 Y532 V536	M524-V528 HydrophobicContact CB-CG2 4.15Å; M524-V528 HydrophobicContact CE-CG2 4.26Å; M524-V528 WeakPolarHBondContact O-CB 3.43Å; M524-V528 WeakPolarHBondContact O-CG2 3.29Å; M524-V528 PolarHBondContact O-N 2.81Å; V528-Y532 WeakPolarHBondContact CG1-O 3.42Å; V528-V536 HydrophobicContact CB-CG2 4.19Å; V528-V536 HydrophobicContact CG1-CG2 4.39Å; V528-V536 HydrophobicContact CG2-CG2 4.19Å
529	V	86	Confident	89.9	Confident	86 Å²	86	66.3 Å²	66.3	52%	0.521	34%	0.34	S	S	.	.			trans	-61.1	144	176.2	-179.4	0	0	0	0	110.2	S531 Y532 S533	V529-S531 VanDerWaalsContact C-N 3.25Å; V529-S531 PolarHBondContact O-N 3.23Å; V529-S531 VanDerWaalsContact O-N 3.08Å; V529-Y532 HydrophobicContact CB-CD2 4.43Å; V529-Y532 CarbonylContact O-C 3.6Å; V529-Y532 PolarHBondContact O-N 3.5Å; V529-S533 PolarHBondContact O-N 2.95Å
530	Y	84	Confident	90.2	Very high	50 Å²	50	66.7 Å²	66.7	20%	0.196	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-50	-38.7	-174.6	80	-83	0	0	0	114.9	G275 L276 A314 G315 Y532 S533	G275-Y530 VanDerWaalsContact CA-CZ 3.43Å; G275-Y530 WeakPolarHBondContact CA-OH 3.06Å; G275-Y530 PolarHBondContact N-OH 3.1Å; G275-Y530 VanDerWaalsContact N-OH 3.15Å; L276-Y530 HydrophobicContact CB-CD1 4.12Å; L276-Y530 HydrophobicContact CB-CD2 4.11Å; L276-Y530 HydrophobicContact CB-CG 3.65Å; A314-Y530 HydrophobicContact CB-CD2 4.41Å; A314-Y530 HydrophobicContact CB-CE2 3.98Å; G315-Y530 WeakPolarHBondContact CA-O 3.38Å; Y530-Y532 PolarHBondContact O-N 3.29Å; Y530-S533 WeakPolarHBondContact O-CB 3.26Å; Y530-S533 PolarHBondContact O-N 2.81Å; Y530-S533 PolarHBondContact O-OG 2.97Å
531	S	84.8	Confident	90.3	Very high	41 Å²	41	65.3 Å²	65.3	29%	0.287	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-66.2	-23.4	-179.3	53.6	0	0	0	0	112.8	V529	V529-S531 VanDerWaalsContact C-N 3.25Å; V529-S531 PolarHBondContact O-N 3.23Å; V529-S531 VanDerWaalsContact O-N 3.08Å
532	Y	89.8	Confident	90.5	Very high	131 Å²	131	67.5 Å²	67.5	51%	0.514	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-106	15.2	179.3	-63.2	-70.8	0	0	0	113	V528 V529 Y530 W534 L535	V528-Y532 WeakPolarHBondContact CG1-O 3.42Å; V529-Y532 HydrophobicContact CB-CD2 4.43Å; V529-Y532 CarbonylContact O-C 3.6Å; V529-Y532 PolarHBondContact O-N 3.5Å; Y530-Y532 PolarHBondContact O-N 3.29Å; Y532-W534 PolarHBondContact O-N 2.61Å; Y532-W534 VanDerWaalsContact O-N 3.08Å; Y532-L535 HydrophobicContact CD1-CD1 4.15Å; Y532-L535 HydrophobicContact CG-CD1 4.26Å; Y532-L535 VanDerWaalsContact O-CB 3.25Å; Y532-L535 WeakPolarHBondContact O-CB 3.48Å; Y532-L535 PolarHBondContact O-N 3.31Å
533	S	88.3	Confident	90.9	Very high	42 Å²	42	61.5 Å²	61.5	29%	0.294	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.6	-178.9	65.4	0	0	0	0	113.3	G315 V529 Y530 L535 V536	G315-S533 VanDerWaalsContact CA-OG 3.25Å; G315-S533 WeakPolarHBondContact CA-OG 3.42Å; G315-S533 PolarHBondContact O-OG 3.31Å; V529-S533 PolarHBondContact O-N 2.95Å; Y530-S533 WeakPolarHBondContact O-CB 3.26Å; Y530-S533 PolarHBondContact O-N 2.81Å; Y530-S533 PolarHBondContact O-OG 2.97Å; S533-L535 PolarHBondContact O-N 3.02Å; S533-V536 VanDerWaalsContact O-CB 3.27Å; S533-V536 WeakPolarHBondContact O-CB 3.34Å; S533-V536 WeakPolarHBondContact O-CG2 3.35Å; S533-V536 PolarHBondContact O-N 2.9Å
534	W	92.7	Very high	91.1	Very high	73 Å²	73	57.6 Å²	57.6	28%	0.277	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-23.9	173.5	63.7	-87.7	0	0	0	114.1	G315 P318 L319 L322 Y532 V536 E537 L538	G315-W534 VanDerWaalsContact O-CB 3.31Å; G315-W534 WeakPolarHBondContact O-CB 3.46Å; G315-W534 PolarHBondContact O-N 2.83Å; P318-W534 HydrophobicContact CB-CG 4.42Å; P318-W534 HydrophobicContact CG-CB 3.59Å; P318-W534 HydrophobicContact CG-CD2 3.75Å; P318-W534 HydrophobicContact CG-CE3 4.49Å; P318-W534 HydrophobicContact CG-CG 3.28Å; L319-W534 HydrophobicContact CD2-CB 3.99Å; L319-W534 HydrophobicContact CG-CB 4.49Å; L322-W534 HydrophobicContact CD1-CE3 4.04Å; Y532-W534 PolarHBondContact O-N 2.61Å; Y532-W534 VanDerWaalsContact O-N 3.08Å; W534-V536 PolarHBondContact O-N 2.74Å; W534-E537 PolarHBondContact O-N 3.27Å; W534-L538 HydrophobicContact CZ3-CD2 3.95Å; W534-L538 PolarHBondContact O-N 3.2Å
535	L	93.9	Very high	91.3	Very high	60 Å²	60	58.8 Å²	58.8	31%	0.314	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-29.2	173.6	-68.9	-179.8	0	0	0	111.8	Y532 S533 L538 F539	Y532-L535 HydrophobicContact CD1-CD1 4.15Å; Y532-L535 HydrophobicContact CG-CD1 4.26Å; Y532-L535 VanDerWaalsContact O-CB 3.25Å; Y532-L535 WeakPolarHBondContact O-CB 3.48Å; Y532-L535 PolarHBondContact O-N 3.31Å; S533-L535 PolarHBondContact O-N 3.02Å; L535-L538 HydrophobicContact CD2-CD2 4.13Å; L535-L538 PolarHBondContact O-N 3.49Å; L535-F539 VanDerWaalsContact O-CB 3.27Å; L535-F539 WeakPolarHBondContact O-CB 3.39Å; L535-F539 PolarHBondContact O-N 3.3Å
536	V	93.9	Very high	91.7	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-45.6	175.7	-176.5	0	0	0	0	110.1	V521 M524 V528 S533 W534 F539 K540	V521-V536 HydrophobicContact CG1-CG1 3.8Å; M524-V536 HydrophobicContact CB-CG1 4.45Å; M524-V536 HydrophobicContact CB-CG2 4.13Å; V528-V536 HydrophobicContact CB-CG2 4.19Å; V528-V536 HydrophobicContact CG1-CG2 4.39Å; V528-V536 HydrophobicContact CG2-CG2 4.19Å; S533-V536 VanDerWaalsContact O-CB 3.27Å; S533-V536 WeakPolarHBondContact O-CB 3.34Å; S533-V536 WeakPolarHBondContact O-CG2 3.35Å; S533-V536 PolarHBondContact O-N 2.9Å; W534-V536 PolarHBondContact O-N 2.74Å; V536-F539 PolarHBondContact O-N 3.37Å; V536-K540 WeakPolarHBondContact O-CB 3.27Å; V536-K540 PolarHBondContact O-N 2.9Å
537	E	93.4	Very high	92.2	Very high	47 Å²	47	54.3 Å²	54.3	22%	0.22	28%	0.278	C	S	.	.	H	α-helix	trans	-68.4	-39	175.3	-65.2	-55.9	140.4	0	0	111.7	L319 Y323 W534 F539 K540 E541	L319-E537 HydrophobicContact CD2-CB 3.98Å; L319-E537 HydrophobicContact CD2-CG 4.03Å; Y323-E537 PolarHBondContact OH-OE2 2.94Å; W534-E537 PolarHBondContact O-N 3.27Å; E537-F539 VanDerWaalsContact C-N 3.33Å; E537-F539 PolarHBondContact O-N 2.86Å; E537-K540 PolarHBondContact O-N 3.08Å; E537-K540 IonicContact OE1-NZ 2.89Å; E537-K540 IonicContact OE2-NZ 3.62Å; E537-K540 PolarHBondContact OE2-NZ 3.09Å; E537-E541 WeakPolarHBondContact O-CB 3.12Å; E537-E541 WeakPolarHBondContact O-CG 3.33Å; E537-E541 PolarHBondContact O-N 2.98Å
538	L	95.4	Very high	92.5	Very high	65 Å²	65	50.4 Å²	50.4	34%	0.34	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-47	173	-179.3	62.6	0	0	0	111.4	L322 W534 L535 E541 T542	L322-L538 HydrophobicContact CD1-CB 3.74Å; L322-L538 HydrophobicContact CD1-CD1 4.17Å; L322-L538 HydrophobicContact CG-CD1 4.46Å; W534-L538 HydrophobicContact CZ3-CD2 3.95Å; W534-L538 PolarHBondContact O-N 3.2Å; L535-L538 HydrophobicContact CD2-CD2 4.13Å; L535-L538 PolarHBondContact O-N 3.49Å; L538-E541 PolarHBondContact O-N 3.13Å; L538-T542 VanDerWaalsContact O-CB 3.3Å; L538-T542 WeakPolarHBondContact O-CB 3.21Å; L538-T542 PolarHBondContact O-N 3.36Å; L538-T542 PolarHBondContact O-OG1 3.37Å
539	F	95.9	Very high	92.9	Very high	58 Å²	58	52.2 Å²	52.2	25%	0.254	26%	0.26	S	S	.	.	H	α-helix	trans	-62.1	-48.3	-180	179.8	-97.7	0	0	0	111	F516 I520 V521 M524 L535 V536 E537 E541 T542 V543	F516-F539 HydrophobicContact CD1-CE1 4.38Å; F516-F539 AromaticContact CD1-CZ 3.8Å; F516-F539 HydrophobicContact CD1-CZ 3.8Å; F516-F539 HydrophobicContact CE1-CZ 4.45Å; I520-F539 HydrophobicContact CB-CE1 4.19Å; I520-F539 HydrophobicContact CB-CZ 4.5Å; I520-F539 HydrophobicContact CG2-CE1 3.67Å; I520-F539 HydrophobicContact CG2-CZ 3.75Å; V521-F539 HydrophobicContact CG2-CD1 3.86Å; V521-F539 HydrophobicContact CG2-CE1 4.22Å; M524-F539 HydrophobicContact CE-CB 3.91Å; M524-F539 HydrophobicContact CE-CG 4.09Å; M524-F539 HydrophobicContact SD-CB 4Å; M524-F539 HydrophobicContact SD-CD1 3.54Å; M524-F539 VanDerWaalsContact SD-CD1 3.54Å; M524-F539 HydrophobicContact SD-CD2 4.06Å; M524-F539 HydrophobicContact SD-CE1 3.98Å; M524-F539 HydrophobicContact SD-CE2 4.45Å; M524-F539 HydrophobicContact SD-CG 3.58Å; M524-F539 VanDerWaalsContact SD-CG 3.58Å; M524-F539 HydrophobicContact SD-CZ 4.41Å; L535-F539 VanDerWaalsContact O-CB 3.27Å; L535-F539 WeakPolarHBondContact O-CB 3.39Å; L535-F539 PolarHBondContact O-N 3.3Å; V536-F539 PolarHBondContact O-N 3.37Å; E537-F539 VanDerWaalsContact C-N 3.33Å; E537-F539 PolarHBondContact O-N 2.86Å; F539-E541 PolarHBondContact O-N 3.04Å; F539-T542 PolarHBondContact O-N 3.46Å; F539-V543 HydrophobicContact CD1-CG2 4.16Å; F539-V543 HydrophobicContact CE1-CG2 3.77Å; F539-V543 HydrophobicContact CE2-CG2 4.14Å; F539-V543 HydrophobicContact CZ-CG2 3.76Å; F539-V543 WeakPolarHBondContact O-CG2 3.07Å; F539-V543 PolarHBondContact O-N 2.89Å
540	K	94.5	Very high	93.2	Very high	70 Å²	70	50.2 Å²	50.2	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-58	-44.6	176.7	177.1	179.9	161.2	-158.5	0	112.5	V521 V536 E537 T544	V521-K540 HydrophobicContact CG2-CB 4.04Å; V536-K540 WeakPolarHBondContact O-CB 3.27Å; V536-K540 PolarHBondContact O-N 2.9Å; E537-K540 PolarHBondContact O-N 3.08Å; E537-K540 IonicContact OE1-NZ 2.89Å; E537-K540 IonicContact OE2-NZ 3.62Å; E537-K540 PolarHBondContact OE2-NZ 3.09Å; K540-T544 WeakPolarHBondContact O-CB 3.38Å; K540-T544 PolarHBondContact O-N 2.96Å; K540-T544 VanDerWaalsContact O-N 3.11Å; K540-T544 PolarHBondContact O-OG1 3.3Å
541	E	94.9	Very high	93.5	Very high	9 Å²	9	48.3 Å²	48.3	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-69.2	-36.7	177.1	-71	-57.4	142.3	0	0	112.2	Y330 K362 E537 L538 F539 T544 F545	Y330-E541 PolarHBondContact OH-O 3.16Å; K362-E541 WeakPolarHBondContact CE-OE2 3.31Å; K362-E541 IonicContact NZ-OE1 3.4Å; K362-E541 PolarHBondContact NZ-OE1 2.92Å; K362-E541 IonicContact NZ-OE2 2.8Å; K362-E541 PolarHBondContact NZ-OE2 3.43Å; E537-E541 WeakPolarHBondContact O-CB 3.12Å; E537-E541 WeakPolarHBondContact O-CG 3.33Å; E537-E541 PolarHBondContact O-N 2.98Å; L538-E541 PolarHBondContact O-N 3.13Å; F539-E541 PolarHBondContact O-N 3.04Å; E541-T544 PolarHBondContact O-N 3.14Å; E541-F545 WeakPolarHBondContact O-CB 3.37Å; E541-F545 PolarHBondContact O-N 3.14Å
542	T	96	Very high	93.7	Very high	63 Å²	63	47 Å²	47	39%	0.387	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-47.2	176.3	-59.6	0	0	0	0	111.7	L538 F539 T544 F545 I546	L538-T542 VanDerWaalsContact O-CB 3.3Å; L538-T542 WeakPolarHBondContact O-CB 3.21Å; L538-T542 PolarHBondContact O-N 3.36Å; L538-T542 PolarHBondContact O-OG1 3.37Å; F539-T542 PolarHBondContact O-N 3.46Å; T542-T544 VanDerWaalsContact C-N 3.29Å; T542-T544 PolarHBondContact O-N 3Å; T542-F545 PolarHBondContact O-N 3.48Å; T542-I546 HydrophobicContact CG2-CD1 3.97Å; T542-I546 WeakPolarHBondContact O-CG1 3.21Å; T542-I546 PolarHBondContact O-N 3.01Å
543	V	96.7	Very high	93.6	Very high	19 Å²	19	47.8 Å²	47.8	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-42.6	175.8	169.4	0	0	0	0	110.7	Y513 F516 T517 F539 F547	Y513-V543 HydrophobicContact CD2-CG1 3.96Å; Y513-V543 HydrophobicContact CE2-CG1 4.37Å; F516-V543 HydrophobicContact CB-CG1 3.71Å; F516-V543 HydrophobicContact CB-CG2 4.07Å; T517-V543 HydrophobicContact CG2-CB 4.46Å; T517-V543 HydrophobicContact CG2-CG1 3.79Å; F539-V543 HydrophobicContact CD1-CG2 4.16Å; F539-V543 HydrophobicContact CE1-CG2 3.77Å; F539-V543 HydrophobicContact CE2-CG2 4.14Å; F539-V543 HydrophobicContact CZ-CG2 3.76Å; F539-V543 WeakPolarHBondContact O-CG2 3.07Å; F539-V543 PolarHBondContact O-N 2.89Å; V543-F547 WeakPolarHBondContact O-CB 3.25Å; V543-F547 PolarHBondContact O-N 3.43Å
544	T	94.8	Very high	93.4	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-39.2	177.1	-55.2	0	0	0	0	112.1	Y513 K540 E541 T542 F547 F548	Y513-T544 HydrophobicContact CE2-CG2 4.37Å; K540-T544 WeakPolarHBondContact O-CB 3.38Å; K540-T544 PolarHBondContact O-N 2.96Å; K540-T544 VanDerWaalsContact O-N 3.11Å; K540-T544 PolarHBondContact O-OG1 3.3Å; E541-T544 PolarHBondContact O-N 3.14Å; T542-T544 VanDerWaalsContact C-N 3.29Å; T542-T544 PolarHBondContact O-N 3Å; T544-F547 WeakPolarHBondContact O-CB 3.3Å; T544-F547 PolarHBondContact O-N 2.87Å; T544-F548 HydrophobicContact CG2-CE1 4.11Å; T544-F548 HydrophobicContact CG2-CE2 4.4Å; T544-F548 HydrophobicContact CG2-CZ 4Å; T544-F548 PolarHBondContact O-N 2.91Å
545	F	95.7	Very high	92.9	Very high	63 Å²	63	44.1 Å²	44.1	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-45.5	178.1	-173.3	-100.5	0	0	0	111.5	A329 Y330 L333 E541 T542 F547 F548 I549	A329-F545 HydrophobicContact CB-CE2 4.15Å; Y330-F545 HydrophobicContact CD1-CD2 4.12Å; Y330-F545 HydrophobicContact CE1-CB 4.49Å; Y330-F545 AromaticContact CE1-CD2 3.75Å; Y330-F545 HydrophobicContact CE1-CD2 3.75Å; Y330-F545 HydrophobicContact CE2-CD2 4.25Å; Y330-F545 AromaticContact CZ-CD2 3.84Å; Y330-F545 WeakPolarHBondContact OH-CA 3.49Å; Y330-F545 PolarHBondContact OH-N 3.44Å; Y330-F545 VanDerWaalsContact OH-N 3.14Å; L333-F545 HydrophobicContact CB-CE2 4.43Å; L333-F545 HydrophobicContact CD2-CD2 4.45Å; L333-F545 HydrophobicContact CD2-CE2 4.06Å; E541-F545 WeakPolarHBondContact O-CB 3.37Å; E541-F545 PolarHBondContact O-N 3.14Å; T542-F545 PolarHBondContact O-N 3.48Å; F545-F547 VanDerWaalsContact C-N 3.33Å; F545-F547 PolarHBondContact O-N 3Å; F545-F548 PolarHBondContact O-N 3.42Å; F545-I549 HydrophobicContact CD1-CD1 3.71Å; F545-I549 HydrophobicContact CE1-CD1 3.28Å; F545-I549 HydrophobicContact CE1-CG1 4.35Å; F545-I549 HydrophobicContact CZ-CD1 3.84Å; F545-I549 WeakPolarHBondContact O-CG1 3.28Å; F545-I549 PolarHBondContact O-N 3.47Å
546	I	96.2	Very high	92.4	Very high	95 Å²	95	45.5 Å²	45.5	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-60.3	-44.7	174.1	-66.9	167.3	0	0	0	110.3	T542 F548 I549 S550	T542-I546 HydrophobicContact CG2-CD1 3.97Å; T542-I546 WeakPolarHBondContact O-CG1 3.21Å; T542-I546 PolarHBondContact O-N 3.01Å; I546-F548 VanDerWaalsContact C-N 3.34Å; I546-F548 PolarHBondContact O-N 3.46Å; I546-I549 PolarHBondContact O-N 3.04Å; I546-S550 WeakPolarHBondContact O-CB 3.5Å; I546-S550 PolarHBondContact O-N 3.24Å; I546-S550 PolarHBondContact O-OG 3.38Å; I546-S550 VanDerWaalsContact O-OG 3.08Å
547	F	94.9	Very high	91.6	Very high	11 Å²	11	45.2 Å²	45.2	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-56	-46.1	176.3	173	-101.6	0	0	0	111.8	L401 I405 L509 V510 Y513 V543 T544 F545 S550 V551	L401-F547 HydrophobicContact CD1-CE1 4.36Å; I405-F547 HydrophobicContact CD1-CE1 4.04Å; I405-F547 HydrophobicContact CD1-CZ 3.85Å; I405-F547 HydrophobicContact CG1-CE1 4.38Å; I405-F547 HydrophobicContact CG1-CZ 4.07Å; L509-F547 HydrophobicContact CD2-CD2 3.16Å; L509-F547 HydrophobicContact CD2-CE2 3.14Å; L509-F547 HydrophobicContact CD2-CG 4.34Å; L509-F547 HydrophobicContact CD2-CZ 4.3Å; L509-F547 HydrophobicContact CG-CD2 4.44Å; V510-F547 HydrophobicContact CG2-CE2 4.29Å; Y513-F547 VanDerWaalsContact CB-CD2 3.44Å; Y513-F547 HydrophobicContact CD1-CD1 4.37Å; Y513-F547 HydrophobicContact CD1-CD2 4.08Å; Y513-F547 HydrophobicContact CD1-CE1 4.36Å; Y513-F547 HydrophobicContact CD1-CE2 4.02Å; Y513-F547 HydrophobicContact CD1-CG 4.28Å; Y513-F547 HydrophobicContact CD1-CZ 4.19Å; Y513-F547 HydrophobicContact CD2-CB 3.58Å; Y513-F547 HydrophobicContact CD2-CD1 4.11Å; Y513-F547 AromaticContact CD2-CD2 3.86Å; Y513-F547 HydrophobicContact CD2-CD2 3.86Å; Y513-F547 AromaticContact CD2-CG 3.59Å; Y513-F547 HydrophobicContact CD2-CG 3.59Å; Y513-F547 HydrophobicContact CE1-CD1 4.41Å; Y513-F547 HydrophobicContact CE1-CE1 4.41Å; Y513-F547 HydrophobicContact CE2-CB 4.06Å; Y513-F547 HydrophobicContact CE2-CD1 4.16Å; Y513-F547 HydrophobicContact CE2-CG 4.07Å; Y513-F547 HydrophobicContact CG-CB 4.17Å; Y513-F547 HydrophobicContact CG-CD1 4.22Å; Y513-F547 AromaticContact CG-CD2 3.51Å; Y513-F547 HydrophobicContact CG-CD2 3.51Å; Y513-F547 AromaticContact CG-CE2 3.89Å; Y513-F547 HydrophobicContact CG-CE2 3.89Å; Y513-F547 AromaticContact CG-CG 3.71Å; Y513-F547 HydrophobicContact CG-CG 3.71Å; Y513-F547 HydrophobicContact CG-CZ 4.44Å; V543-F547 WeakPolarHBondContact O-CB 3.25Å; V543-F547 PolarHBondContact O-N 3.43Å; T544-F547 WeakPolarHBondContact O-CB 3.3Å; T544-F547 PolarHBondContact O-N 2.87Å; F545-F547 VanDerWaalsContact C-N 3.33Å; F545-F547 PolarHBondContact O-N 3Å; F547-S550 PolarHBondContact O-N 3.48Å; F547-V551 HydrophobicContact CD2-CG2 4.2Å; F547-V551 HydrophobicContact CE1-CG2 4.2Å; F547-V551 HydrophobicContact CE2-CG2 3.86Å; F547-V551 HydrophobicContact CZ-CG2 3.83Å; F547-V551 WeakPolarHBondContact O-CB 3.48Å; F547-V551 VanDerWaalsContact O-CG2 3.29Å; F547-V551 WeakPolarHBondContact O-CG2 3.41Å; F547-V551 PolarHBondContact O-N 3.36Å
548	F	94.3	Very high	90.6	Very high	22 Å²	22	45.4 Å²	45.4	10%	0.096	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-39.2	177.7	-73.7	1.3	0	0	0	113.3	Y330 L333 V358 T359 K362 L401 T544 F545 I546 G552	Y330-F548 HydrophobicContact CD1-CD2 4.06Å; Y330-F548 HydrophobicContact CD1-CE2 4.36Å; Y330-F548 AromaticContact CE1-CD2 3.47Å; Y330-F548 HydrophobicContact CE1-CD2 3.47Å; Y330-F548 VanDerWaalsContact CE1-CD2 3.47Å; Y330-F548 AromaticContact CE1-CE2 3.79Å; Y330-F548 HydrophobicContact CE1-CE2 3.79Å; Y330-F548 HydrophobicContact CE1-CG 4.46Å; L333-F548 HydrophobicContact CD2-CB 4.28Å; V358-F548 HydrophobicContact CG1-CE1 4.3Å; V358-F548 HydrophobicContact CG1-CE2 4Å; V358-F548 HydrophobicContact CG1-CZ 3.65Å; T359-F548 HydrophobicContact CG2-CD2 3.84Å; T359-F548 HydrophobicContact CG2-CE2 4.35Å; K362-F548 HydrophobicContact CB-CE2 4.34Å; K362-F548 HydrophobicContact CG-CE2 4.19Å; L401-F548 HydrophobicContact CD1-CE1 3.47Å; L401-F548 VanDerWaalsContact CD1-CE1 3.47Å; L401-F548 HydrophobicContact CD1-CZ 3.8Å; T544-F548 HydrophobicContact CG2-CE1 4.11Å; T544-F548 HydrophobicContact CG2-CE2 4.4Å; T544-F548 HydrophobicContact CG2-CZ 4Å; T544-F548 PolarHBondContact O-N 2.91Å; F545-F548 PolarHBondContact O-N 3.42Å; I546-F548 VanDerWaalsContact C-N 3.34Å; I546-F548 PolarHBondContact O-N 3.46Å; F548-G552 PolarHBondContact O-N 3.2Å
549	I	94.6	Very high	88.7	Confident	79 Å²	79	47 Å²	47	41%	0.405	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-47.1	175.6	-70.2	174	0	0	0	110.5	L333 F545 I546 G552 Y553	L333-I549 HydrophobicContact CD1-CG1 4.3Å; F545-I549 HydrophobicContact CD1-CD1 3.71Å; F545-I549 HydrophobicContact CE1-CD1 3.28Å; F545-I549 HydrophobicContact CE1-CG1 4.35Å; F545-I549 HydrophobicContact CZ-CD1 3.84Å; F545-I549 WeakPolarHBondContact O-CG1 3.28Å; F545-I549 PolarHBondContact O-N 3.47Å; I546-I549 PolarHBondContact O-N 3.04Å; I549-G552 PolarHBondContact O-N 3.38Å; I549-Y553 WeakPolarHBondContact O-CB 3.48Å; I549-Y553 PolarHBondContact O-N 2.95Å
550	S	92.5	Very high	86.7	Confident	43 Å²	43	49.8 Å²	49.8	30%	0.301	25%	0.25	S	C	.	.	H	α-helix	trans	-63.5	-45.8	-179.4	-60	0	0	0	0	111.7	I546 F547 Y553 E554	I546-S550 WeakPolarHBondContact O-CB 3.5Å; I546-S550 PolarHBondContact O-N 3.24Å; I546-S550 PolarHBondContact O-OG 3.38Å; I546-S550 VanDerWaalsContact O-OG 3.08Å; F547-S550 PolarHBondContact O-N 3.48Å; S550-Y553 PolarHBondContact O-N 3.09Å; S550-E554 WeakPolarHBondContact O-CG 3.04Å; S550-E554 PolarHBondContact O-N 3.31Å
551	V	89.8	Confident	84.9	Confident	11 Å²	11	47 Å²	47	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-45.2	174.9	172.6	0	0	0	0	111	M355 I408 F506 L509 F547 Y553 E554 F555	M355-V551 HydrophobicContact CE-CG1 3.9Å; I408-V551 HydrophobicContact CD1-CG1 4.12Å; F506-V551 HydrophobicContact CE2-CG2 4.21Å; L509-V551 HydrophobicContact CD1-CG2 4.41Å; L509-V551 HydrophobicContact CD2-CG2 3.71Å; F547-V551 HydrophobicContact CD2-CG2 4.2Å; F547-V551 HydrophobicContact CE1-CG2 4.2Å; F547-V551 HydrophobicContact CE2-CG2 3.86Å; F547-V551 HydrophobicContact CZ-CG2 3.83Å; F547-V551 WeakPolarHBondContact O-CB 3.48Å; F547-V551 VanDerWaalsContact O-CG2 3.29Å; F547-V551 WeakPolarHBondContact O-CG2 3.41Å; F547-V551 PolarHBondContact O-N 3.36Å; V551-Y553 VanDerWaalsContact C-N 3.3Å; V551-Y553 PolarHBondContact O-N 3.17Å; V551-E554 PolarHBondContact O-N 3.44Å; V551-F555 HydrophobicContact CG1-CD2 4.01Å; V551-F555 WeakPolarHBondContact O-CB 3.44Å; V551-F555 WeakPolarHBondContact O-CD2 3.28Å; V551-F555 PolarHBondContact O-N 3.24Å
552	G	89.8	Confident	82.8	Confident	13 Å²	13	47.8 Å²	47.8	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-35.7	177.4	0	0	0	0	0	113	W337 F548 I549 R556	W337-G552 VanDerWaalsContact CH2-O 3.22Å; W337-G552 WeakPolarHBondContact CH2-O 3.41Å; W337-G552 WeakPolarHBondContact CZ3-O 3.44Å; F548-G552 PolarHBondContact O-N 3.2Å; I549-G552 PolarHBondContact O-N 3.38Å; G552-R556 PolarHBondContact O-N 3.21Å
553	Y	88.6	Confident	80.6	Confident	148 Å²	148	45.1 Å²	45.1	58%	0.58	23%	0.227	S	C	*	.	H	α-helix	trans	-69.8	-43.4	176.6	-178.5	-97.2	0	0	0	112.3	I549 S550 V551 R556	I549-Y553 WeakPolarHBondContact O-CB 3.48Å; I549-Y553 PolarHBondContact O-N 2.95Å; S550-Y553 PolarHBondContact O-N 3.09Å; V551-Y553 VanDerWaalsContact C-N 3.3Å; V551-Y553 PolarHBondContact O-N 3.17Å; Y553-R556 WeakPolarHBondContact O-CD 3.44Å; Y553-R556 VanDerWaalsContact O-CG 3.26Å; Y553-R556 WeakPolarHBondContact O-CG 3.45Å
554	E	83.1	Confident	78.4	Confident	23 Å²	23	44.9 Å²	44.9	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-48.2	177.7	-76	-176.6	-151.4	0	0	111.9	H505 L509 S550 V551 R556 N561 Y563	H505-E554 VanDerWaalsContact CD2-CD 3.41Å; H505-E554 IonicContact CD2-OE1 2.61Å; H505-E554 PolarHBondContact CD2-OE1 3.47Å; H505-E554 IonicContact CD2-OE2 3.97Å; H505-E554 IonicContact NE2-OE1 3.67Å; H505-E554 PolarHBondContact NE2-OE1 2.97Å; L509-E554 WeakPolarHBondContact CD1-OE1 3.3Å; S550-E554 WeakPolarHBondContact O-CG 3.04Å; S550-E554 PolarHBondContact O-N 3.31Å; V551-E554 PolarHBondContact O-N 3.44Å; E554-R556 VanDerWaalsContact C-N 3.31Å; E554-R556 PolarHBondContact O-N 3.29Å; E554-N561 PolarHBondContact O-ND2 3.47Å; E554-Y563 HydrophobicContact CB-CE2 3.86Å; E554-Y563 WeakPolarHBondContact O-CD2 3.49Å; E554-Y563 WeakPolarHBondContact O-CE2 3.34Å; E554-Y563 PolarHBondContact OE2-OH 3.43Å
555	F	81.3	Confident	76.1	Confident	14 Å²	14	48 Å²	48	6%	0.061	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	24.4	-175	-69.3	-92.9	0	0	0	113.5	H352 M355 I408 F506 V551 Y563	H352-F555 PolarHBondContact CD2-O 3.22Å; H352-F555 PolarHBondContact NE2-O 3.19Å; H352-F555 VanDerWaalsContact NE2-O 3.08Å; M355-F555 HydrophobicContact CE-CB 3.52Å; M355-F555 HydrophobicContact CE-CD1 4.3Å; M355-F555 HydrophobicContact CE-CD2 4.24Å; M355-F555 HydrophobicContact CE-CG 3.78Å; M355-F555 HydrophobicContact SD-CB 4.13Å; I408-F555 HydrophobicContact CB-CZ 4.48Å; I408-F555 HydrophobicContact CG2-CD1 4.34Å; I408-F555 HydrophobicContact CG2-CE1 3.43Å; I408-F555 VanDerWaalsContact CG2-CE1 3.43Å; I408-F555 HydrophobicContact CG2-CE2 3.7Å; I408-F555 HydrophobicContact CG2-CZ 3.06Å; F506-F555 HydrophobicContact CB-CZ 4.5Å; F506-F555 AromaticContact CD2-CE2 3.6Å; F506-F555 HydrophobicContact CD2-CE2 3.6Å; F506-F555 HydrophobicContact CD2-CZ 4.02Å; F506-F555 HydrophobicContact CE2-CE2 4.05Å; F506-F555 HydrophobicContact CE2-CZ 4.46Å; F506-F555 HydrophobicContact CG-CE2 4.16Å; F506-F555 HydrophobicContact CG-CZ 4.17Å; V551-F555 HydrophobicContact CG1-CD2 4.01Å; V551-F555 WeakPolarHBondContact O-CB 3.44Å; V551-F555 WeakPolarHBondContact O-CD2 3.28Å; V551-F555 PolarHBondContact O-N 3.24Å; F555-Y563 AromaticContact CD1-CD1 3.56Å; F555-Y563 HydrophobicContact CD1-CD1 3.56Å; F555-Y563 HydrophobicContact CD1-CD2 4.09Å; F555-Y563 AromaticContact CD1-CE1 3.92Å; F555-Y563 HydrophobicContact CD1-CE1 3.92Å; F555-Y563 HydrophobicContact CD1-CE2 4.43Å; F555-Y563 AromaticContact CD1-CG 3.65Å; F555-Y563 HydrophobicContact CD1-CG 3.65Å; F555-Y563 HydrophobicContact CD2-CE1 4.4Å; F555-Y563 HydrophobicContact CD2-CE2 4.44Å; F555-Y563 AromaticContact CE1-CD1 3.01Å; F555-Y563 HydrophobicContact CE1-CD1 3.01Å; F555-Y563 HydrophobicContact CE1-CD2 4.29Å; F555-Y563 AromaticContact CE1-CE1 3.17Å; F555-Y563 HydrophobicContact CE1-CE1 3.17Å; F555-Y563 HydrophobicContact CE1-CE2 4.42Å; F555-Y563 AromaticContact CE1-CG 3.64Å; F555-Y563 HydrophobicContact CE1-CG 3.64Å; F555-Y563 AromaticContact CE1-CZ 3.92Å; F555-Y563 HydrophobicContact CE2-CD1 4.36Å; F555-Y563 AromaticContact CE2-CE1 3.72Å; F555-Y563 HydrophobicContact CE2-CE1 3.72Å; F555-Y563 HydrophobicContact CE2-CE2 4.4Å; F555-Y563 AromaticContact CE2-CZ 3.75Å; F555-Y563 HydrophobicContact CG-CD1 4.43Å; F555-Y563 HydrophobicContact CG-CD2 4.36Å; F555-Y563 HydrophobicContact CG-CE1 4.48Å; F555-Y563 HydrophobicContact CG-CE2 4.44Å; F555-Y563 HydrophobicContact CG-CG 4.37Å; F555-Y563 AromaticContact CZ-CD1 3.47Å; F555-Y563 HydrophobicContact CZ-CD1 3.47Å; F555-Y563 VanDerWaalsContact CZ-CD1 3.47Å; F555-Y563 AromaticContact CZ-CE1 3.03Å; F555-Y563 HydrophobicContact CZ-CE1 3.03Å; F555-Y563 HydrophobicContact CZ-CE2 4.39Å; F555-Y563 HydrophobicContact CZ-CG 4.31Å; F555-Y563 AromaticContact CZ-CZ 3.57Å
556	R	84.1	Confident	73.9	Confident	90 Å²	90	47.2 Å²	47.2	34%	0.34	24%	0.241	S	C	.	.			trans	-63.7	143.2	176.4	64.2	-178.2	-176.7	-173.3	-0.4	112	W337 Y340 G552 Y553 E554 V558 N561	W337-R556 HydrophobicContact CH2-CB 4.37Å; Y340-R556 HydrophobicContact CE1-CB 4.34Å; G552-R556 PolarHBondContact O-N 3.21Å; Y553-R556 WeakPolarHBondContact O-CD 3.44Å; Y553-R556 VanDerWaalsContact O-CG 3.26Å; Y553-R556 WeakPolarHBondContact O-CG 3.45Å; E554-R556 VanDerWaalsContact C-N 3.31Å; E554-R556 PolarHBondContact O-N 3.29Å; R556-V558 HydrophobicContact CG-CG2 3.8Å; R556-V558 PolarHBondContact O-N 2.7Å; R556-N561 PolarHBondContact O-ND2 2.93Å
557	P	77.8	Confident	71	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.			trans	-65.1	107.7	173.7	24.6	-34.9	0	0	0	111	Y340 L341 N346 V348	Y340-P557 HydrophobicContact CD1-CG 4.24Å; Y340-P557 HydrophobicContact CE1-CG 3.77Å; L341-P557 HydrophobicContact CD2-CG 3.83Å; N346-P557 HydrophobicContact CB-CB 4.32Å; N346-P557 PolarHBondContact ND2-O 3.34Å; V348-P557 HydrophobicContact CG2-CB 4.29Å; V348-P557 HydrophobicContact CG2-CG 4.49Å
558	V	72.5	Confident	68.6	Low	51 Å²	51	51.5 Å²	51.5	31%	0.309	27%	0.271	S	S	.	.			trans	-131.4	135.6	176.2	168.1	0	0	0	0	108.6	N346 R556 D560 N561	N346-V558 WeakPolarHBondContact ND2-CA 3.5Å; R556-V558 HydrophobicContact CG-CG2 3.8Å; R556-V558 PolarHBondContact O-N 2.7Å; V558-D560 PolarHBondContact O-N 3.02Å; V558-N561 HydrophobicContact CB-CB 4.11Å; V558-N561 VanDerWaalsContact O-CB 3.28Å; V558-N561 WeakPolarHBondContact O-CB 3.42Å; V558-N561 PolarHBondContact O-N 3.36Å
559	N	54.5	Low	66	Low	98 Å²	98	58.6 Å²	58.6	52%	0.524	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	123.1	166.2	-67	-16	0	0	0	106.7	N346	N346-N559 VanDerWaalsContact CA-OD1 3.29Å; N346-N559 WeakPolarHBondContact CA-OD1 3.43Å; N346-N559 VanDerWaalsContact CB-OD1 3.32Å; N346-N559 WeakPolarHBondContact CB-OD1 3.27Å; N346-N559 PolarHBondContact OD1-N 3.29Å; N346-N559 PolarHBondContact OD1-ND2 2.98Å; N346-N559 PolarHBondContact OD1-OD1 3.36Å; N346-N559 VanDerWaalsContact OD1-OD1 3.14Å
560	D	54.5	Low	63.7	Low	117 Å²	117	57.1 Å²	57.1	63%	0.626	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	16.7	-163.7	-61.3	-24.3	0	0	0	117.1	V558 P562 L565	V558-D560 PolarHBondContact O-N 3.02Å; D560-P562 WeakPolarHBondContact O-CD 3.19Å; D560-P562 VanDerWaalsContact O-N 3.08Å; D560-L565 HydrophobicContact CB-CD1 4.2Å; D560-L565 VanDerWaalsContact N-CD1 3.26Å; D560-L565 WeakPolarHBondContact OD1-CD1 3.38Å
561	N	55.7	Low	61.4	Low	11 Å²	11	63.5 Å²	63.5	6%	0.059	32%	0.322	C	S	.	.			trans	-65	112.6	166.3	-163.1	-19.8	0	0	0	109.4	E554 R556 V558 Y563 L564 L565	E554-N561 PolarHBondContact O-ND2 3.47Å; R556-N561 PolarHBondContact O-ND2 2.93Å; V558-N561 HydrophobicContact CB-CB 4.11Å; V558-N561 VanDerWaalsContact O-CB 3.28Å; V558-N561 WeakPolarHBondContact O-CB 3.42Å; V558-N561 PolarHBondContact O-N 3.36Å; N561-Y563 PolarHBondContact O-N 3.32Å; N561-Y563 VanDerWaalsContact OD1-CB 3.27Å; N561-Y563 WeakPolarHBondContact OD1-CB 3.35Å; N561-Y563 WeakPolarHBondContact OD1-CD2 3.39Å; N561-Y563 PolarHBondContact OD1-N 3.01Å; N561-L564 HydrophobicContact CB-CB 4.47Å; N561-L564 HydrophobicContact CB-CD1 4.17Å; N561-L564 HydrophobicContact CB-CG 4.46Å; N561-L564 PolarHBondContact O-N 2.98Å; N561-L565 PolarHBondContact O-N 3Å
562	P	51	Low	59.5	Low	26 Å²	26	68.5 Å²	68.5	17%	0.169	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.8	176.7	-19.5	34.5	0	0	0	112.1	F414 R498 L502 D560 L564	F414-P562 WeakPolarHBondContact CE1-O 3.24Å; F414-P562 VanDerWaalsContact CZ-O 3.25Å; F414-P562 WeakPolarHBondContact CZ-O 3.19Å; R498-P562 HydrophobicContact CG-CB 4.31Å; R498-P562 HydrophobicContact CG-CG 4.35Å; L502-P562 HydrophobicContact CD2-CB 3.98Å; D560-P562 WeakPolarHBondContact O-CD 3.19Å; D560-P562 VanDerWaalsContact O-N 3.08Å; P562-L564 PolarHBondContact O-N 3.48Å
563	Y	49.7	Very low	57.6	Low	7 Å²	7	71.7 Å²	71.7	3%	0.027	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.4	171.5	-74.7	-65.1	0	0	0	114.5	F414 L502 E554 F555 N561	F414-Y563 VanDerWaalsContact CE1-C 3.43Å; F414-Y563 WeakPolarHBondContact CE1-O 3.36Å; F414-Y563 WeakPolarHBondContact CE2-O 3.19Å; F414-Y563 WeakPolarHBondContact CZ-O 3.47Å; L502-Y563 HydrophobicContact CB-CE1 4.42Å; L502-Y563 HydrophobicContact CD1-CD1 4.32Å; L502-Y563 HydrophobicContact CD1-CD2 3.91Å; L502-Y563 HydrophobicContact CD1-CE1 3.8Å; L502-Y563 HydrophobicContact CD1-CE2 3.32Å; L502-Y563 HydrophobicContact CD1-CG 4.38Å; L502-Y563 WeakPolarHBondContact CD1-OH 3.44Å; L502-Y563 HydrophobicContact CD2-CD1 3.17Å; L502-Y563 HydrophobicContact CD2-CD2 3.89Å; L502-Y563 HydrophobicContact CD2-CE1 3.32Å; L502-Y563 HydrophobicContact CD2-CE2 4.01Å; L502-Y563 HydrophobicContact CD2-CG 3.48Å; L502-Y563 VanDerWaalsContact CD2-CG 3.48Å; L502-Y563 HydrophobicContact CG-CD1 3.65Å; L502-Y563 HydrophobicContact CG-CD2 4.15Å; L502-Y563 HydrophobicContact CG-CE1 3.17Å; L502-Y563 HydrophobicContact CG-CE2 3.73Å; L502-Y563 HydrophobicContact CG-CG 4.12Å; L502-Y563 WeakPolarHBondContact CG-OH 3.47Å; E554-Y563 HydrophobicContact CB-CE2 3.86Å; E554-Y563 WeakPolarHBondContact O-CD2 3.49Å; E554-Y563 WeakPolarHBondContact O-CE2 3.34Å; E554-Y563 PolarHBondContact OE2-OH 3.43Å; F555-Y563 AromaticContact CD1-CD1 3.56Å; F555-Y563 HydrophobicContact CD1-CD1 3.56Å; F555-Y563 HydrophobicContact CD1-CD2 4.09Å; F555-Y563 AromaticContact CD1-CE1 3.92Å; F555-Y563 HydrophobicContact CD1-CE1 3.92Å; F555-Y563 HydrophobicContact CD1-CE2 4.43Å; F555-Y563 AromaticContact CD1-CG 3.65Å; F555-Y563 HydrophobicContact CD1-CG 3.65Å; F555-Y563 HydrophobicContact CD2-CE1 4.4Å; F555-Y563 HydrophobicContact CD2-CE2 4.44Å; F555-Y563 AromaticContact CE1-CD1 3.01Å; F555-Y563 HydrophobicContact CE1-CD1 3.01Å; F555-Y563 HydrophobicContact CE1-CD2 4.29Å; F555-Y563 AromaticContact CE1-CE1 3.17Å; F555-Y563 HydrophobicContact CE1-CE1 3.17Å; F555-Y563 HydrophobicContact CE1-CE2 4.42Å; F555-Y563 AromaticContact CE1-CG 3.64Å; F555-Y563 HydrophobicContact CE1-CG 3.64Å; F555-Y563 AromaticContact CE1-CZ 3.92Å; F555-Y563 HydrophobicContact CE2-CD1 4.36Å; F555-Y563 AromaticContact CE2-CE1 3.72Å; F555-Y563 HydrophobicContact CE2-CE1 3.72Å; F555-Y563 HydrophobicContact CE2-CE2 4.4Å; F555-Y563 AromaticContact CE2-CZ 3.75Å; F555-Y563 HydrophobicContact CG-CD1 4.43Å; F555-Y563 HydrophobicContact CG-CD2 4.36Å; F555-Y563 HydrophobicContact CG-CE1 4.48Å; F555-Y563 HydrophobicContact CG-CE2 4.44Å; F555-Y563 HydrophobicContact CG-CG 4.37Å; F555-Y563 AromaticContact CZ-CD1 3.47Å; F555-Y563 HydrophobicContact CZ-CD1 3.47Å; F555-Y563 VanDerWaalsContact CZ-CD1 3.47Å; F555-Y563 AromaticContact CZ-CE1 3.03Å; F555-Y563 HydrophobicContact CZ-CE1 3.03Å; F555-Y563 HydrophobicContact CZ-CE2 4.39Å; F555-Y563 HydrophobicContact CZ-CG 4.31Å; F555-Y563 AromaticContact CZ-CZ 3.57Å; N561-Y563 PolarHBondContact O-N 3.32Å; N561-Y563 VanDerWaalsContact OD1-CB 3.27Å; N561-Y563 WeakPolarHBondContact OD1-CB 3.35Å; N561-Y563 WeakPolarHBondContact OD1-CD2 3.39Å; N561-Y563 PolarHBondContact OD1-N 3.01Å
564	L	50.7	Low	55.8	Low	14 Å²	14	69 Å²	69	7%	0.073	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-2.1	-163.7	-63.5	171.5	0	0	0	113.9	Y349 A413 N561 P562	Y349-L564 HydrophobicContact CD2-CB 4.12Å; Y349-L564 HydrophobicContact CD2-CD1 3.56Å; Y349-L564 HydrophobicContact CD2-CD2 3.33Å; Y349-L564 HydrophobicContact CD2-CG 3.82Å; Y349-L564 HydrophobicContact CE2-CB 3.54Å; Y349-L564 HydrophobicContact CE2-CD1 3.63Å; Y349-L564 HydrophobicContact CE2-CD2 3.67Å; Y349-L564 HydrophobicContact CE2-CG 3.77Å; Y349-L564 HydrophobicContact CG-CD2 3.91Å; Y349-L564 PolarHBondContact OH-O 3.48Å; A413-L564 HydrophobicContact CB-CD2 3.88Å; N561-L564 HydrophobicContact CB-CB 4.47Å; N561-L564 HydrophobicContact CB-CD1 4.17Å; N561-L564 HydrophobicContact CB-CG 4.46Å; N561-L564 PolarHBondContact O-N 2.98Å; P562-L564 PolarHBondContact O-N 3.48Å
565	L	46.1	Very low	54.3	Low	72 Å²	72	71.8 Å²	71.8	38%	0.377	38%	0.375	S	S	.	.			trans	-116.1	83.3	-177.7	-80.9	152	0	0	0	109.7	D560 N561	D560-L565 HydrophobicContact CB-CD1 4.2Å; D560-L565 VanDerWaalsContact N-CD1 3.26Å; D560-L565 WeakPolarHBondContact OD1-CD1 3.38Å; N561-L565 PolarHBondContact O-N 3Å
566	V	50.4	Low	52.9	Low	46 Å²	46	73.5 Å²	73.5	28%	0.279	39%	0.386	S	S	.	.			trans	-118.1	132.1	150.8	174.7	0	0	0	0	105.7	F414	F414-V566 HydrophobicContact CD1-CB 4.34Å; F414-V566 HydrophobicContact CD1-CG2 3.66Å; F414-V566 HydrophobicContact CE1-CG2 4.08Å
567	S	36.1	Very low	51.4	Low	62 Å²	62	70.9 Å²	70.9	43%	0.434	38%	0.378	S	S	.	.			trans	-50.4	133.6	-172.3	20.3	0	0	0	0	112	E569 D570	S567-E569 PolarHBondContact O-N 3.27Å; S567-D570 PolarHBondContact OG-OD2 2.93Å
568	D	43.3	Very low	50.4	Low	135 Å²	135	77.6 Å²	77.6	72%	0.722	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	18.5	166.9	-83.5	-37.1	0	0	0	113.1	K416	K416-D568 IonicContact NZ-OD1 2.91Å; K416-D568 PolarHBondContact NZ-OD1 3Å; K416-D568 IonicContact NZ-OD2 2.73Å
569	E	40.9	Very low	49.6	Very low	171 Å²	171	83.4 Å²	83.4	80%	0.799	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	5.3	-161	-66.8	-169.4	157.3	0	0	116.9	S567	S567-E569 PolarHBondContact O-N 3.27Å
570	D	45.4	Very low	49.5	Very low	47 Å²	47	80.5 Å²	80.5	25%	0.251	41%	0.409	S	S	.	.			trans	-120.8	81.8	-175.6	-58.6	-68.1	0	0	0	112.7	K492 S567 D572 E573	K492-D570 IonicContact NZ-OD1 2.81Å; K492-D570 PolarHBondContact NZ-OD1 2.81Å; K492-D570 IonicContact NZ-OD2 2.72Å; K492-D570 PolarHBondContact NZ-OD2 3.44Å; S567-D570 PolarHBondContact OG-OD2 2.93Å; D570-D572 PolarHBondContact O-N 2.98Å; D570-D572 VanDerWaalsContact O-N 3.14Å; D570-E573 HydrophobicContact CB-CG 4.1Å; D570-E573 PolarHBondContact O-N 2.72Å
571	E	44.9	Very low	49.6	Very low	177 Å²	177	77 Å²	77	83%	0.827	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.6	160.6	-75.5	-175.5	161.9	0	0	111.8
572	D	49.8	Very low	49.6	Very low	116 Å²	116	81.8 Å²	81.8	62%	0.62	41%	0.413	S	S	*	.	H	α-helix	trans	-78.1	-24.4	-179.6	-67.7	-35.4	0	0	0	113.7	D570 D574 T575 V576	D570-D572 PolarHBondContact O-N 2.98Å; D570-D572 VanDerWaalsContact O-N 3.14Å; D572-D574 PolarHBondContact O-N 3.14Å; D572-T575 PolarHBondContact O-N 3.01Å; D572-T575 PolarHBondContact O-OG1 3.13Å; D572-V576 PolarHBondContact O-N 2.94Å
573	E	48.8	Very low	49.9	Very low	80 Å²	80	86 Å²	86	37%	0.374	43%	0.43	S	S	.	.	H	α-helix	trans	-68.7	-34.2	-179	-81.7	-170.9	172.2	0	0	112.6	D570 T575 V576 M577	D570-E573 HydrophobicContact CB-CG 4.1Å; D570-E573 PolarHBondContact O-N 2.72Å; E573-T575 VanDerWaalsContact C-N 3.26Å; E573-T575 PolarHBondContact O-N 3.28Å; E573-V576 PolarHBondContact O-N 3.4Å; E573-M577 PolarHBondContact O-N 2.86Å
574	D	51.2	Low	50.2	Low	92 Å²	92	88.5 Å²	88.5	49%	0.492	44%	0.444	S	S	.	.	H	α-helix	trans	-60.9	-38	175.5	-71	-25.3	0	0	0	111.2	D572 M577 E578	D572-D574 PolarHBondContact O-N 3.14Å; D574-M577 PolarHBondContact O-N 3.35Å; D574-E578 PolarHBondContact O-N 3.03Å
575	T	51.4	Low	50.4	Low	82 Å²	82	92.4 Å²	92.4	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-70.4	-32.9	178.4	72.5	0	0	0	0	113	D572 E573 R579	D572-T575 PolarHBondContact O-N 3.01Å; D572-T575 PolarHBondContact O-OG1 3.13Å; E573-T575 VanDerWaalsContact C-N 3.26Å; E573-T575 PolarHBondContact O-N 3.28Å; T575-R579 WeakPolarHBondContact O-CB 3.29Å; T575-R579 PolarHBondContact O-N 3.43Å
576	V	52.6	Low	50.5	Low	49 Å²	49	96.8 Å²	96.8	30%	0.297	48%	0.476	S	S	.	.	H	α-helix	trans	-70.9	-40.3	174.9	177.2	0	0	0	0	110.1	D572 E573 R579 M580	D572-V576 PolarHBondContact O-N 2.94Å; E573-V576 PolarHBondContact O-N 3.4Å; V576-R579 PolarHBondContact O-N 3.43Å; V576-M580 HydrophobicContact CG1-CE 4.07Å; V576-M580 HydrophobicContact CG1-SD 4.49Å; V576-M580 WeakPolarHBondContact O-CG 3.46Å; V576-M580 PolarHBondContact O-N 3.49Å
577	M	51.5	Low	50.7	Low	35 Å²	35	98.6 Å²	98.6	17%	0.172	49%	0.49	C	S	.	.	H	α-helix	trans	-65.1	-43.4	177.6	-149.4	-161.8	-51.4	0	0	111.8	I415 L482 E573 D574 M580 Q581	I415-M577 HydrophobicContact CD1-CE 4.39Å; L482-M577 HydrophobicContact CD1-CG 4.47Å; L482-M577 HydrophobicContact CD2-CG 4.48Å; E573-M577 PolarHBondContact O-N 2.86Å; D574-M577 PolarHBondContact O-N 3.35Å; M577-M580 PolarHBondContact O-N 3.15Å; M577-Q581 WeakPolarHBondContact O-CB 3.35Å; M577-Q581 VanDerWaalsContact O-CG 3.3Å; M577-Q581 WeakPolarHBondContact O-CG 3.47Å; M577-Q581 PolarHBondContact O-N 3.42Å
578	E	57.2	Low	51.2	Low	142 Å²	142	103.4 Å²	103.4	66%	0.664	51%	0.506	S	S	*	.	H	α-helix	trans	-62.9	-41.9	173.2	-78.4	-169.1	156	0	0	112	D574 Q581 M582	D574-E578 PolarHBondContact O-N 3.03Å; E578-Q581 PolarHBondContact O-N 3.04Å; E578-M582 WeakPolarHBondContact O-CB 3.49Å; E578-M582 PolarHBondContact O-N 2.76Å
579	R	55.2	Low	51.4	Low	173 Å²	173	100.7 Å²	100.7	65%	0.653	50%	0.497	S	S	*	.	H	α-helix	trans	-61.5	-46.7	177	179.1	-177.7	-82.6	-140.9	1.7	111.8	T575 V576 M582 E583	T575-R579 WeakPolarHBondContact O-CB 3.29Å; T575-R579 PolarHBondContact O-N 3.43Å; V576-R579 PolarHBondContact O-N 3.43Å; R579-M582 PolarHBondContact O-N 2.95Å; R579-E583 WeakPolarHBondContact O-CG 3.42Å; R579-E583 PolarHBondContact O-N 3.01Å
580	M	53.6	Low	51.6	Low	36 Å²	36	96.1 Å²	96.1	18%	0.177	50%	0.496	C	S	.	.	H	α-helix	trans	-65.8	-38.6	178.9	-74.1	-173.5	177.5	0	0	111.9	L482 A485 V576 M577 M582 E583 D584	L482-M580 HydrophobicContact CD1-SD 4.19Å; A485-M580 HydrophobicContact CB-CE 3.88Å; A485-M580 HydrophobicContact CB-SD 3.87Å; V576-M580 HydrophobicContact CG1-CE 4.07Å; V576-M580 HydrophobicContact CG1-SD 4.49Å; V576-M580 WeakPolarHBondContact O-CG 3.46Å; V576-M580 PolarHBondContact O-N 3.49Å; M577-M580 PolarHBondContact O-N 3.15Å; M580-M582 VanDerWaalsContact C-N 3.29Å; M580-M582 PolarHBondContact O-N 2.93Å; M580-E583 PolarHBondContact O-N 2.91Å; M580-D584 PolarHBondContact O-N 3.39Å
581	Q	56.1	Low	51.5	Low	44 Å²	44	101.7 Å²	101.7	21%	0.206	53%	0.525	C	S	.	.	H	α-helix	trans	-63.1	-37.4	174.1	-74.4	177.2	24.7	0	0	111.9	M577 E578 I585	M577-Q581 WeakPolarHBondContact O-CB 3.35Å; M577-Q581 VanDerWaalsContact O-CG 3.3Å; M577-Q581 WeakPolarHBondContact O-CG 3.47Å; M577-Q581 PolarHBondContact O-N 3.42Å; E578-Q581 PolarHBondContact O-N 3.04Å; Q581-I585 WeakPolarHBondContact O-CD1 3.49Å; Q581-I585 WeakPolarHBondContact O-CG1 3.15Å; Q581-I585 PolarHBondContact O-N 3.46Å; Q581-I585 VanDerWaalsContact O-N 3.09Å
582	M	56.1	Low	51.7	Low	111 Å²	111	98.6 Å²	98.6	55%	0.547	52%	0.519	S	S	.	.	H	α-helix	trans	-69.1	-40	175.8	-159.9	143.2	-166.3	0	0	111.5	E578 R579 M580 D584 I585 W586	E578-M582 WeakPolarHBondContact O-CB 3.49Å; E578-M582 PolarHBondContact O-N 2.76Å; R579-M582 PolarHBondContact O-N 2.95Å; M580-M582 VanDerWaalsContact C-N 3.29Å; M580-M582 PolarHBondContact O-N 2.93Å; M582-D584 PolarHBondContact O-N 3.28Å; M582-I585 PolarHBondContact O-N 3.31Å; M582-W586 HydrophobicContact CE-CZ2 4.14Å; M582-W586 WeakPolarHBondContact O-CB 3.28Å; M582-W586 PolarHBondContact O-N 3.31Å
583	E	57	Low	51.3	Low	114 Å²	114	101.6 Å²	101.6	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-65.1	-35.6	175.1	-72.5	176.7	177.3	0	0	113	R579 M580 W586 S587	R579-E583 WeakPolarHBondContact O-CG 3.42Å; R579-E583 PolarHBondContact O-N 3.01Å; M580-E583 PolarHBondContact O-N 2.91Å; E583-W586 PolarHBondContact O-N 2.7Å; E583-S587 WeakPolarHBondContact O-CB 3.5Å; E583-S587 PolarHBondContact O-N 3.29Å; E583-S587 PolarHBondContact O-OG 3.22Å
584	D	56.1	Low	51.1	Low	61 Å²	61	101.2 Å²	101.2	33%	0.326	55%	0.552	S	S	.	*	H	α-helix	trans	-67.3	-38.8	172.7	-88.3	-6.9	0	0	0	112.8	R422 W478 M580 M582 W586 S587 Q588	R422-D584 IonicContact NH1-OD2 3.99Å; W478-D584 WeakPolarHBondContact CH2-OD2 3.46Å; M580-D584 PolarHBondContact O-N 3.39Å; M582-D584 PolarHBondContact O-N 3.28Å; D584-W586 VanDerWaalsContact C-N 3.31Å; D584-S587 WeakPolarHBondContact CA-OG 3.32Å; D584-S587 PolarHBondContact O-OG 3.08Å; D584-Q588 PolarHBondContact O-N 3.02Å; D584-Q588 VanDerWaalsContact O-N 3.15Å
585	I	54	Low	50.9	Low	95 Å²	95	103.2 Å²	103.2	49%	0.487	57%	0.567	S	S	.	*	H	α-helix	trans	-67.9	-35.2	177.1	-69	163.9	0	0	0	110.6	Q581 M582 S589	Q581-I585 WeakPolarHBondContact O-CD1 3.49Å; Q581-I585 WeakPolarHBondContact O-CG1 3.15Å; Q581-I585 PolarHBondContact O-N 3.46Å; Q581-I585 VanDerWaalsContact O-N 3.09Å; M582-I585 PolarHBondContact O-N 3.31Å; I585-S589 PolarHBondContact O-OG 2.91Å
586	W	49.2	Very low	50.4	Low	165 Å²	165	105.1 Å²	105.1	63%	0.625	58%	0.579	S	S	*	*	H	α-helix	trans	-79.1	-31.9	179.6	-73.2	49.9	0	0	0	112.1	M582 E583 D584 S589	M582-W586 HydrophobicContact CE-CZ2 4.14Å; M582-W586 WeakPolarHBondContact O-CB 3.28Å; M582-W586 PolarHBondContact O-N 3.31Å; E583-W586 PolarHBondContact O-N 2.7Å; D584-W586 VanDerWaalsContact C-N 3.31Å; W586-S589 PolarHBondContact O-N 2.98Å
587	S	55.6	Low	49.9	Very low	83 Å²	83	114.1 Å²	114.1	58%	0.58	61%	0.607	S	S	*	*	H	α-helix	trans	-78.9	-23.4	177.3	60	0	0	0	0	114.3	E583 D584 S589	E583-S587 WeakPolarHBondContact O-CB 3.5Å; E583-S587 PolarHBondContact O-N 3.29Å; E583-S587 PolarHBondContact O-OG 3.22Å; D584-S587 WeakPolarHBondContact CA-OG 3.32Å; D584-S587 PolarHBondContact O-OG 3.08Å; S587-S589 VanDerWaalsContact C-N 3.29Å
588	Q	46.4	Very low	49.5	Very low	163 Å²	163	118.5 Å²	118.5	76%	0.762	64%	0.636	S	S	*	*	S	Bend	trans	-79.7	-9.7	171.6	-74.1	-172.5	-5.5	0	0	113.8	D584 G590	D584-Q588 PolarHBondContact O-N 3.02Å; D584-Q588 VanDerWaalsContact O-N 3.15Å; Q588-G590 VanDerWaalsContact C-N 3.35Å; Q588-G590 PolarHBondContact O-N 3.07Å
589	S	47	Very low	48.5	Very low	78 Å²	78	120.9 Å²	120.9	55%	0.545	65%	0.647	S	S	.	*			trans	-89.2	73.6	168.7	-61.5	0	0	0	0	109.5	I585 W586 S587 L591	I585-S589 PolarHBondContact O-OG 2.91Å; W586-S589 PolarHBondContact O-N 2.98Å; S587-S589 VanDerWaalsContact C-N 3.29Å; S589-L591 PolarHBondContact O-N 3.46Å
590	G	45.6	Very low	47.5	Very low	76 Å²	76	124 Å²	124	78%	0.784	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	45.4	178.6	0	0	0	0	0	115.3	Q588	Q588-G590 VanDerWaalsContact C-N 3.35Å; Q588-G590 PolarHBondContact O-N 3.07Å
591	L	42.7	Very low	46.5	Very low	163 Å²	163	127.4 Å²	127.4	85%	0.853	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	13.4	177.5	-148	86.6	0	0	0	114	S589	S589-L591 PolarHBondContact O-N 3.46Å
592	T	48.1	Very low	45.6	Very low	113 Å²	113	133.8 Å²	133.8	69%	0.693	72%	0.716	S	S	*	*			trans	-140.8	51.8	173.3	64.2	0	0	0	0	113.1	G594	T592-G594 PolarHBondContact O-N 3.22Å
593	D	42.6	Very low	44.5	Very low	179 Å²	179	133.3 Å²	133.3	96%	0.957	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	95.9	155.5	-89.2	-23.9	0	0	0	107.6
594	G	44.3	Very low	43.5	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.6	5.5	173.5	0	0	0	0	0	120.7	T592	T592-G594 PolarHBondContact O-N 3.22Å
595	V	46.6	Very low	42.4	Very low	134 Å²	134	145.7 Å²	145.7	81%	0.812	77%	0.766	S	S	*	*			trans	-128.7	109.1	-178.8	-177.7	0	0	0	0	113.2
596	T	40.7	Very low	41.5	Very low	122 Å²	122	151.3 Å²	151.3	75%	0.748	79%	0.787	S	S	*	*			trans	-26.2	121.7	168.2	54.2	0	0	0	0	116.3
597	R	42	Very low	40.9	Very low	238 Å²	238	148 Å²	148	90%	0.898	79%	0.789	S	S	*	*			trans	-99.8	97.4	157.1	-115.3	-178.6	-176.8	166.9	2.9	110.1
598	V	43.1	Very low	39.9	Very low	127 Å²	127	151 Å²	151	77%	0.77	80%	0.799	S	S	*	*			trans	-61.5	130.9	168.9	171.3	0	0	0	0	109.8	R600	V598-R600 PolarHBondContact O-N 3.32Å
599	Q	36.4	Very low	39.5	Very low	193 Å²	193	151.3 Å²	151.3	90%	0.902	80%	0.804	S	S	*	*			trans	-63	107.5	177.4	-154.7	172.5	6.3	0	0	110	S601	Q599-S601 PolarHBondContact O-N 3.19Å
600	R	35.1	Very low	38.8	Very low	239 Å²	239	153.4 Å²	153.4	90%	0.902	82%	0.816	S	S	*	*			trans	-89.5	99	175.4	-149.2	175.8	-169.4	175.3	3	109.3	V598 Q602	V598-R600 PolarHBondContact O-N 3.32Å; R600-Q602 PolarHBondContact O-N 3.36Å
601	S	32	Very low	38	Very low	106 Å²	106	158.4 Å²	158.4	74%	0.741	82%	0.821	S	S	*	*			trans	-58	120.1	166.9	175.3	0	0	0	0	110.2	Q599 S603	Q599-S601 PolarHBondContact O-N 3.19Å; S601-S603 PolarHBondContact O-N 3.4Å
602	Q	37.3	Very low	37.6	Very low	178 Å²	178	160.6 Å²	160.6	83%	0.832	82%	0.824	S	S	*	*			trans	-79.5	92.5	168	-78.5	-166.2	-5.9	0	0	109.6	R600 K604	R600-Q602 PolarHBondContact O-N 3.36Å; Q602-K604 PolarHBondContact O-N 3.2Å
603	S	32.9	Very low	36.8	Very low	102 Å²	102	160.7 Å²	160.7	71%	0.713	82%	0.824	S	S	*	*			trans	-74.2	108	158.2	178.7	0	0	0	0	109.2	S601 R605	S601-S603 PolarHBondContact O-N 3.4Å; S603-R605 PolarHBondContact O-N 3.44Å
604	K	36.2	Very low	36.2	Very low	200 Å²	200	163.3 Å²	163.3	87%	0.87	82%	0.822	S	S	*	*			trans	-81.3	96.4	164.4	-90.9	-176.1	178.3	174.3	0	109	Q602	Q602-K604 PolarHBondContact O-N 3.2Å
605	R	31.9	Very low	35.8	Very low	234 Å²	234	164.7 Å²	164.7	88%	0.883	82%	0.818	S	S	*	*			trans	-82.6	109.7	166.2	-154.9	177.5	-170.4	177.8	2.3	108.1	S603	S603-R605 PolarHBondContact O-N 3.44Å
606	K	36.1	Very low	35	Very low	213 Å²	213	168.1 Å²	168.1	93%	0.926	82%	0.822	S	S	*	*			trans	-92.6	122.9	161.2	-90.4	-175.1	175.1	-178.9	0	108
607	S	37.4	Very low	34.9	Very low	96 Å²	96	167.7 Å²	167.7	67%	0.671	82%	0.824	S	S	*	*			trans	-100.2	133	176.9	53.7	0	0	0	0	111.8
608	N	33.9	Very low	34.6	Very low	146 Å²	146	164.6 Å²	164.6	78%	0.781	82%	0.82	S	S	*	*			trans	65.5	122.4	145.1	-58.8	-15.8	0	0	0	120.4
609	I	37.6	Very low	34.4	Very low	170 Å²	170	164.6 Å²	164.6	87%	0.872	82%	0.815	S	S	*	*				171.9	143.2	116.6	-79.8	153.7	0	0	0	108.3
610	P	33.4	Very low	34.4	Very low	122 Å²	122	163.1 Å²	163.1	79%	0.792	81%	0.806	S	S	*	*			trans	-101.7	166.6	-141.2	38.2	-32.4	0	0	0	116.8
611	M	28.4	Very low	34.6	Very low	180 Å²	180	159.5 Å²	159.5	89%	0.887	80%	0.8	S	S	*	*			trans	-66.5	134.2	178.6	-168.9	-177.6	-78	0	0	113.3
612	K	34.9	Very low	34.9	Very low	210 Å²	210	159.2 Å²	159.2	91%	0.913	80%	0.797	S	S	*	*			trans	-152.9	130.4	152.5	-116.5	179.2	-176.3	-179.7	0	112.1
613	T	29.9	Very low	35	Very low	115 Å²	115	157.8 Å²	157.8	71%	0.706	79%	0.794	S	S	*	*			trans	-67.2	153.9	-175.8	-36.6	0	0	0	0	114.3
614	Y	31.4	Very low	35.3	Very low	234 Å²	234	159.6 Å²	159.6	92%	0.918	80%	0.796	S	S	*	*				-174.5	148.7	126.3	-103.3	-81.1	0	0	0	111.6
615	P	34.1	Very low	35.4	Very low	100 Å²	100	159 Å²	159	65%	0.649	80%	0.796	S	S	*	*			trans	-122.4	174.1	-158.6	42.1	-27.3	0	0	0	117.3
616	K	31.4	Very low	35.8	Very low	206 Å²	206	151 Å²	151	90%	0.896	79%	0.786	S	S	*	*			trans	71.8	122.6	153.9	-75.1	-175.2	179.5	-178	0	122.3
617	S	37.4	Very low	36.2	Very low	112 Å²	112	147.5 Å²	147.5	78%	0.783	78%	0.783	S	S	*	*				-174.7	111.1	124.5	60.1	0	0	0	0	109.3
618	Q	37.1	Very low	36.4	Very low	174 Å²	174	150.7 Å²	150.7	81%	0.813	79%	0.787	S	S	*	*				84.7	133	81.1	-125.7	179	-29	0	0	115.1
619	D	38	Very low	36.7	Very low	126 Å²	126	150.4 Å²	150.4	67%	0.674	79%	0.785	S	S	*	*			trans	81.5	130.7	162.9	-59.4	-11.7	0	0	0	117.6
620	K	36.5	Very low	37	Very low	162 Å²	162	150.9 Å²	150.9	70%	0.704	82%	0.815	S	S	*	*			cis	-168.8	146.2	14.4	-114.1	172.2	178.9	-177.2	0	111
621	E	38.2	Very low	37.1	Very low	164 Å²	164	152.4 Å²	152.4	77%	0.766	82%	0.816	S	S	*	*			trans	36.9	137.4	133.8	-69	171.3	140.3	0	0	119.7
622	S	39.3	Very low	37.6	Very low	99 Å²	99	150.9 Å²	150.9	69%	0.692	81%	0.812	S	S	*	*			cis	175.7	170	22.9	44.6	0	0	0	0	110.2
623	L	38.5	Very low	37.8	Very low	148 Å²	148	147.6 Å²	147.6	78%	0.775	81%	0.807	S	S	*	*			trans	89.5	123.5	164.8	-48.3	175.8	0	0	0	117.2
624	L	39.5	Very low	38.2	Very low	141 Å²	141	149.5 Å²	149.5	74%	0.738	81%	0.813	S	S	*	*			cis	-158.8	144	-1.1	-106.1	158.3	0	0	0	109.4
625	Q	38.8	Very low	38.6	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	81%	0.806	S	S	*	*			trans	-33.9	158.8	163.2	-73.7	146.2	-48.3	0	0	115.6
626	G	41.1	Very low	39	Very low	66 Å²	66	147.2 Å²	147.2	68%	0.68	82%	0.817	S	S	*	*			cis	153.3	-177.4	17	0	0	0	0	0	108.9
627	V	43.7	Very low	39.5	Very low	141 Å²	141	143 Å²	143	86%	0.855	81%	0.811	S	S	*	*			trans	94.2	85.4	176.3	-165.7	0	0	0	0	114.3
628	E	40.5	Very low	39.7	Very low	162 Å²	162	145.4 Å²	145.4	76%	0.757	81%	0.813	S	S	*	*				71.2	109.3	84	-91.5	-169.7	119	0	0	116.9
629	N	41.7	Very low	39.9	Very low	140 Å²	140	143 Å²	143	75%	0.749	81%	0.813	S	S	*	*			trans	66.2	89.2	137.9	-52.4	-21.4	0	0	0	120.5
630	A	42.4	Very low	40	Very low	181 Å²	181	144.5 Å²	144.5	100%	1.496	83%	0.826	S	S	*	*				-158.1	0	125.9	0	0	0	0	0	109.2

Retrieved 630 of 630 residues in 559.7 ms (Link to these results)

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