A0A5K4F9Z5_SCHMA Loading...

Innexin AlphaSync

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A5K4F9Z5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene inx, Length 698 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.5	Low	58.6	Low	126 Å²	126	96.8 Å²	96.8	62%	0.621	51%	0.509	S	S	*	.				0	124.3	0	-85.6	179.5	-178.2	0	0	107.5	A3 I6	M1-A3 PolarHBondContact O-N 3.13Å; M1-I6 HydrophobicContact SD-CD1 4.49Å
2	D	57.8	Low	58.6	Low	128 Å²	128	98.8 Å²	98.8	68%	0.684	52%	0.519	S	S	*	.			trans	-60.4	128.8	173.3	-102.6	-36.8	0	0	0	110.2	A4 F5	D2-A4 HydrophobicContact CB-CB 4.47Å; D2-A4 PolarHBondContact O-N 3.01Å; D2-A4 VanDerWaalsContact O-N 3.13Å; D2-F5 WeakPolarHBondContact O-CB 3.32Å; D2-F5 PolarHBondContact O-N 3.43Å
3	A	59.8	Low	58.1	Low	79 Å²	79	92.9 Å²	92.9	65%	0.653	50%	0.497	S	S	*	.	H	α-helix	trans	-56.8	-29	174.8	0	0	0	0	0	111.4	M1 F5 I6 W7	M1-A3 PolarHBondContact O-N 3.13Å; A3-F5 VanDerWaalsContact C-N 3.31Å; A3-F5 PolarHBondContact O-N 3.38Å; A3-I6 PolarHBondContact O-N 3.3Å; A3-W7 VanDerWaalsContact O-CB 3.27Å; A3-W7 WeakPolarHBondContact O-CB 3.35Å; A3-W7 PolarHBondContact O-N 3.13Å
4	A	62.7	Low	57.7	Low	57 Å²	57	98 Å²	98	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-35.4	173.8	0	0	0	0	0	113	D2 N8	D2-A4 HydrophobicContact CB-CB 4.47Å; D2-A4 PolarHBondContact O-N 3.01Å; D2-A4 VanDerWaalsContact O-N 3.13Å; A4-N8 WeakPolarHBondContact O-CB 3.42Å; A4-N8 PolarHBondContact O-N 2.97Å; A4-N8 PolarHBondContact O-ND2 3.14Å
5	F	61.3	Low	57.2	Low	124 Å²	124	99.1 Å²	99.1	54%	0.544	51%	0.511	S	S	.	.	H	α-helix	trans	-70.4	-45.9	178.3	-178.3	-102.1	0	0	0	111.4	D2 A3 W7 N8 L9	D2-F5 WeakPolarHBondContact O-CB 3.32Å; D2-F5 PolarHBondContact O-N 3.43Å; A3-F5 VanDerWaalsContact C-N 3.31Å; A3-F5 PolarHBondContact O-N 3.38Å; F5-W7 VanDerWaalsContact C-N 3.31Å; F5-W7 PolarHBondContact O-N 3.26Å; F5-N8 PolarHBondContact O-N 3.08Å; F5-L9 HydrophobicContact CD1-CD1 3.8Å; F5-L9 HydrophobicContact CD2-CD1 4.02Å; F5-L9 HydrophobicContact CE1-CD1 3.36Å; F5-L9 HydrophobicContact CE2-CD1 3.6Å; F5-L9 HydrophobicContact CG-CD1 4.12Å; F5-L9 HydrophobicContact CZ-CD1 3.26Å; F5-L9 WeakPolarHBondContact O-CD1 3.4Å; F5-L9 PolarHBondContact O-N 3.32Å
6	I	55.5	Low	56.7	Low	93 Å²	93	93.6 Å²	93.6	48%	0.477	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-42.7	175.2	-62.9	-177.7	0	0	0	110.1	M1 A3 L9 S10	M1-I6 HydrophobicContact SD-CD1 4.49Å; A3-I6 PolarHBondContact O-N 3.3Å; I6-L9 PolarHBondContact O-N 3.11Å; I6-S10 WeakPolarHBondContact O-CB 3.39Å; I6-S10 PolarHBondContact O-N 3.36Å
7	W	60.9	Low	56.4	Low	177 Å²	177	88.6 Å²	88.6	67%	0.67	46%	0.461	S	S	*	.	H	α-helix	trans	-60.5	-46.7	175.4	-175.4	-101.2	0	0	0	111.4	A3 F5 L9 S10 K11	A3-W7 VanDerWaalsContact O-CB 3.27Å; A3-W7 WeakPolarHBondContact O-CB 3.35Å; A3-W7 PolarHBondContact O-N 3.13Å; F5-W7 VanDerWaalsContact C-N 3.31Å; F5-W7 PolarHBondContact O-N 3.26Å; W7-L9 PolarHBondContact O-N 3.4Å; W7-S10 PolarHBondContact O-N 2.9Å; W7-S10 PolarHBondContact O-OG 3.35Å; W7-K11 WeakPolarHBondContact O-CB 3.38Å; W7-K11 PolarHBondContact O-N 3.18Å
8	N	63.9	Low	56	Low	88 Å²	88	94.7 Å²	94.7	47%	0.471	48%	0.477	S	S	.	.	H	α-helix	trans	-65.5	-35	177.7	-76.9	-26.3	0	0	0	112.8	A4 F5 K11 L12	A4-N8 WeakPolarHBondContact O-CB 3.42Å; A4-N8 PolarHBondContact O-N 2.97Å; A4-N8 PolarHBondContact O-ND2 3.14Å; F5-N8 PolarHBondContact O-N 3.08Å; N8-K11 CarbonylContact O-C 3.58Å; N8-K11 WeakPolarHBondContact O-CA 3.29Å; N8-K11 VanDerWaalsContact O-CB 3.28Å; N8-K11 WeakPolarHBondContact O-CB 3.5Å; N8-K11 PolarHBondContact O-N 3.37Å; N8-L12 PolarHBondContact O-N 3.24Å
9	L	55.8	Low	55.9	Low	39 Å²	39	98.4 Å²	98.4	20%	0.204	49%	0.485	C	S	.	.	H	α-helix	trans	-68.1	-43.3	172.1	-106.1	94.2	0	0	0	112.3	F5 I6 W7 K11 L12 G13 F40	F5-L9 HydrophobicContact CD1-CD1 3.8Å; F5-L9 HydrophobicContact CD2-CD1 4.02Å; F5-L9 HydrophobicContact CE1-CD1 3.36Å; F5-L9 HydrophobicContact CE2-CD1 3.6Å; F5-L9 HydrophobicContact CG-CD1 4.12Å; F5-L9 HydrophobicContact CZ-CD1 3.26Å; F5-L9 WeakPolarHBondContact O-CD1 3.4Å; F5-L9 PolarHBondContact O-N 3.32Å; I6-L9 PolarHBondContact O-N 3.11Å; W7-L9 PolarHBondContact O-N 3.4Å; L9-K11 PolarHBondContact O-N 3.01Å; L9-L12 WeakPolarHBondContact O-CA 3.43Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 2.75Å; L9-G13 PolarHBondContact O-N 3.03Å; L9-G13 VanDerWaalsContact O-N 3.11Å; L9-F40 HydrophobicContact CD2-CB 4.13Å; L9-F40 HydrophobicContact CD2-CD1 3.21Å; L9-F40 HydrophobicContact CD2-CD2 4.18Å; L9-F40 HydrophobicContact CD2-CE1 3.5Å; L9-F40 VanDerWaalsContact CD2-CE1 3.5Å; L9-F40 HydrophobicContact CD2-CE2 4.42Å; L9-F40 HydrophobicContact CD2-CG 3.59Å; L9-F40 HydrophobicContact CD2-CZ 4.11Å
10	S	56.1	Low	56	Low	49 Å²	49	95.4 Å²	95.4	34%	0.343	47%	0.47	S	S	.	.	H	α-helix	trans	-59.6	-38.4	172.8	85.4	0	0	0	0	109.9	I6 W7 L12 G13 R14	I6-S10 WeakPolarHBondContact O-CB 3.39Å; I6-S10 PolarHBondContact O-N 3.36Å; W7-S10 PolarHBondContact O-N 2.9Å; W7-S10 PolarHBondContact O-OG 3.35Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 3.04Å; S10-G13 PolarHBondContact O-N 3.33Å; S10-R14 WeakPolarHBondContact O-CB 3.45Å; S10-R14 PolarHBondContact O-N 3.02Å
11	K	60	Low	56.4	Low	105 Å²	105	94.8 Å²	94.8	46%	0.457	47%	0.466	S	S	.	.	H	α-helix	trans	-63.2	-37.8	173.3	-147.1	-173.9	174.3	179.2	0	109.9	W7 N8 L9 G13 R14 I15	W7-K11 WeakPolarHBondContact O-CB 3.38Å; W7-K11 PolarHBondContact O-N 3.18Å; N8-K11 CarbonylContact O-C 3.58Å; N8-K11 WeakPolarHBondContact O-CA 3.29Å; N8-K11 VanDerWaalsContact O-CB 3.28Å; N8-K11 WeakPolarHBondContact O-CB 3.5Å; N8-K11 PolarHBondContact O-N 3.37Å; L9-K11 PolarHBondContact O-N 3.01Å; K11-G13 VanDerWaalsContact C-N 3.33Å; K11-G13 PolarHBondContact O-N 3.43Å; K11-R14 CarbonylContact O-C 3.59Å; K11-R14 WeakPolarHBondContact O-CA 3.48Å; K11-R14 PolarHBondContact O-N 3.31Å; K11-I15 HydrophobicContact CB-CD1 3.95Å; K11-I15 HydrophobicContact CB-CG1 4.5Å; K11-I15 HydrophobicContact CD-CD1 4.02Å; K11-I15 HydrophobicContact CD-CG1 4.5Å; K11-I15 HydrophobicContact CG-CD1 3.67Å; K11-I15 HydrophobicContact CG-CG1 3.89Å; K11-I15 WeakPolarHBondContact O-CA 3.41Å; K11-I15 WeakPolarHBondContact O-CB 3.13Å; K11-I15 WeakPolarHBondContact O-CD1 3.42Å; K11-I15 WeakPolarHBondContact O-CG1 3.4Å; K11-I15 PolarHBondContact O-N 3.04Å
12	L	58.6	Low	57.8	Low	121 Å²	121	91.4 Å²	91.4	63%	0.634	45%	0.448	S	S	*	.	H	α-helix	trans	-59.4	-43.1	174.3	-156.2	78.5	0	0	0	111.6	N8 L9 S10 R14	N8-L12 PolarHBondContact O-N 3.24Å; L9-L12 WeakPolarHBondContact O-CA 3.43Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 2.75Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 3.04Å; L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 3.26Å
13	G	52.8	Low	59	Low	22 Å²	22	86 Å²	86	23%	0.227	42%	0.42	C	S	.	.	H	α-helix	trans	-65.1	-31	171.2	0	0	0	0	0	113.4	L9 S10 K11	L9-G13 PolarHBondContact O-N 3.03Å; L9-G13 VanDerWaalsContact O-N 3.11Å; S10-G13 PolarHBondContact O-N 3.33Å; K11-G13 VanDerWaalsContact C-N 3.33Å; K11-G13 PolarHBondContact O-N 3.43Å
14	R	51.5	Low	60.3	Low	164 Å²	164	82.7 Å²	82.7	62%	0.619	39%	0.391	S	S	*	.	H	α-helix	trans	-91.3	-23.5	-176.8	-142.6	178.3	92.2	116.6	0.2	114.9	S10 K11 L12 G16 S17	S10-R14 WeakPolarHBondContact O-CB 3.45Å; S10-R14 PolarHBondContact O-N 3.02Å; K11-R14 CarbonylContact O-C 3.59Å; K11-R14 WeakPolarHBondContact O-CA 3.48Å; K11-R14 PolarHBondContact O-N 3.31Å; L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 3.26Å; R14-G16 PolarHBondContact O-N 3.48Å; R14-S17 PolarHBondContact O-N 3Å
15	I	50.6	Low	61.4	Low	114 Å²	114	80.8 Å²	80.8	59%	0.585	37%	0.373	S	S	*	.	H	α-helix	trans	-64.8	-23.9	-174.1	-87.1	154.3	0	0	0	110.4	K11	K11-I15 HydrophobicContact CB-CD1 3.95Å; K11-I15 HydrophobicContact CB-CG1 4.5Å; K11-I15 HydrophobicContact CD-CD1 4.02Å; K11-I15 HydrophobicContact CD-CG1 4.5Å; K11-I15 HydrophobicContact CG-CD1 3.67Å; K11-I15 HydrophobicContact CG-CG1 3.89Å; K11-I15 WeakPolarHBondContact O-CA 3.41Å; K11-I15 WeakPolarHBondContact O-CB 3.13Å; K11-I15 WeakPolarHBondContact O-CD1 3.42Å; K11-I15 WeakPolarHBondContact O-CG1 3.4Å; K11-I15 PolarHBondContact O-N 3.04Å
16	G	49.2	Very low	62.7	Low	11 Å²	11	81 Å²	81	11%	0.113	37%	0.373	C	S	.	.	H	α-helix	trans	-86.4	-36.7	166.8	0	0	0	0	0	114.7	R14 R18 L20	R14-G16 PolarHBondContact O-N 3.48Å; G16-R18 PolarHBondContact O-N 2.8Å; G16-L20 WeakPolarHBondContact O-CB 3.34Å; G16-L20 WeakPolarHBondContact O-CD1 3.4Å; G16-L20 PolarHBondContact O-N 2.91Å
17	S	52.1	Low	64.5	Low	10 Å²	10	76.9 Å²	76.9	7%	0.07	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-40.9	-153.4	-176.2	0	0	0	0	116.1	R14 Q21 Q33	R14-S17 PolarHBondContact O-N 3Å; S17-Q21 WeakPolarHBondContact O-CB 3.45Å; S17-Q21 VanDerWaalsContact O-CG 3.3Å; S17-Q21 WeakPolarHBondContact O-CG 3.42Å; S17-Q33 VanDerWaalsContact CB-NE2 3.32Å; S17-Q33 VanDerWaalsContact OG-CD 3.22Å; S17-Q33 PolarHBondContact OG-NE2 3.49Å; S17-Q33 PolarHBondContact OG-OE1 3.49Å
18	R	49.4	Very low	66	Low	198 Å²	198	68.6 Å²	68.6	75%	0.747	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-37.7	-175.4	-107.9	-173.1	174.2	179.7	-2.4	114	G16	G16-R18 PolarHBondContact O-N 2.8Å
19	R	53.1	Low	67.3	Low	164 Å²	164	65.4 Å²	65.4	62%	0.619	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-21.8	-177.1	-164.8	177.2	-176.4	151.6	4.8	112.3
20	L	57.6	Low	69.1	Low	38 Å²	38	64.1 Å²	64.1	20%	0.199	30%	0.297	C	S	.	.	S	Bend	trans	-103.1	36.4	178.8	-68.4	76.2	0	0	0	110.7	G16 F22 R29 R126	G16-L20 WeakPolarHBondContact O-CB 3.34Å; G16-L20 WeakPolarHBondContact O-CD1 3.4Å; G16-L20 PolarHBondContact O-N 2.91Å; L20-F22 VanDerWaalsContact C-N 3.33Å; L20-R29 PolarHBondContact O-NH1 3.46Å; L20-R29 VanDerWaalsContact O-NH1 3.08Å; L20-R126 VanDerWaalsContact CD2-NE 3.29Å; L20-R126 VanDerWaalsContact CD2-NH2 3.32Å
21	Q	65.3	Low	70.8	Confident	83 Å²	83	61.8 Å²	61.8	39%	0.388	28%	0.281	S	S	.	.	S	Bend	trans	-91.7	6.8	-176.8	-123.6	175.8	26.6	0	0	114.1	S17 R29	S17-Q21 WeakPolarHBondContact O-CB 3.45Å; S17-Q21 VanDerWaalsContact O-CG 3.3Å; S17-Q21 WeakPolarHBondContact O-CG 3.42Å; Q21-R29 VanDerWaalsContact CA-NH2 3.27Å; Q21-R29 PolarHBondContact O-NH2 3.33Å
22	F	79.4	Confident	72.3	Confident	55 Å²	55	57.5 Å²	57.5	24%	0.241	26%	0.262	C	S	.	.	S	Bend	trans	-126.1	-11.5	-167.2	-52.8	-66.8	0	0	0	114.5	L20 L140 A144 N560	L20-F22 VanDerWaalsContact C-N 3.33Å; F22-L140 HydrophobicContact CB-CB 3.95Å; F22-L140 WeakPolarHBondContact O-CD1 3.39Å; F22-A144 HydrophobicContact CD1-CB 3.89Å; F22-A144 HydrophobicContact CD2-CB 3.97Å; F22-A144 HydrophobicContact CE1-CB 3.64Å; F22-A144 HydrophobicContact CE2-CB 3.73Å; F22-A144 HydrophobicContact CG-CB 4.05Å; F22-A144 HydrophobicContact CZ-CB 3.56Å; F22-N560 HydrophobicContact CB-CB 4.39Å; F22-N560 HydrophobicContact CD1-CB 4.36Å; F22-N560 PolarHBondContact O-ND2 3.42Å
23	D	83.6	Confident	73.7	Confident	15 Å²	15	52.9 Å²	52.9	8%	0.08	24%	0.237	C	C	.	.	S	Bend	trans	-101.9	-2.1	-176.2	63.4	-50.1	0	0	0	114.8	W125 L136 L140	D23-W125 PolarHBondContact OD2-NE1 3.28Å; D23-L136 HydrophobicContact CB-CD2 4.24Å; D23-L140 VanDerWaalsContact CA-CD1 3.46Å; D23-L140 HydrophobicContact CB-CD1 3.44Å; D23-L140 VanDerWaalsContact CB-CD1 3.44Å
24	D	86.7	Confident	75.5	Confident	9 Å²	9	57.3 Å²	57.3	5%	0.048	25%	0.248	C	C	.	.	S	Bend	trans	-138.5	160.1	-171.4	61.8	-40.9	0	0	0	111.6	D28 R29 Y32 N560	D24-D28 HydrophobicContact CB-CB 4.04Å; D24-R29 VanDerWaalsContact CG-CZ 3.48Å; D24-R29 VanDerWaalsContact CG-NH2 3.32Å; D24-R29 PolarHBondContact O-NH2 3.46Å; D24-R29 VanDerWaalsContact O-NH2 3.17Å; D24-R29 IonicContact OD1-CZ 2.73Å; D24-R29 IonicContact OD1-NH1 3.79Å; D24-R29 PolarHBondContact OD1-NH1 3.38Å; D24-R29 IonicContact OD1-NH2 3.01Å; D24-R29 PolarHBondContact OD1-NH2 3.45Å; D24-R29 WeakPolarHBondContact OD2-CG 3.48Å; D24-R29 IonicContact OD2-CZ 2.78Å; D24-R29 VanDerWaalsContact OD2-CZ 3.31Å; D24-R29 IonicContact OD2-NE 3.31Å; D24-R29 IonicContact OD2-NH1 2.88Å; D24-R29 PolarHBondContact OD2-NH1 2.94Å; D24-R29 IonicContact OD2-NH2 3.1Å; D24-Y32 WeakPolarHBondContact OD2-CE1 3.33Å; D24-Y32 PolarHBondContact OD2-OH 2.98Å; D24-Y32 VanDerWaalsContact OD2-OH 3.13Å; D24-N560 PolarHBondContact O-ND2 3.37Å; D24-N560 VanDerWaalsContact O-ND2 3.12Å; D24-N560 PolarHBondContact O-OD1 2.99Å
25	D	86.8	Confident	77.5	Confident	17 Å²	17	49.5 Å²	49.5	9%	0.091	22%	0.218	C	C	.	.			trans	-91.6	167.6	177.4	-65.1	-31.2	0	0	0	112.3	A27 D28 R29 Y383 K387 W488	D25-A27 VanDerWaalsContact C-N 3.27Å; D25-A27 PolarHBondContact O-N 2.96Å; D25-D28 PolarHBondContact N-OD2 3.37Å; D25-D28 WeakPolarHBondContact O-CB 3.44Å; D25-D28 PolarHBondContact O-N 3.31Å; D25-R29 WeakPolarHBondContact O-CG 3.38Å; D25-R29 PolarHBondContact O-N 2.94Å; D25-R29 VanDerWaalsContact O-N 3.15Å; D25-Y383 PolarHBondContact OD2-OH 3.26Å; D25-K387 IonicContact OD2-NZ 2.99Å; D25-K387 PolarHBondContact OD2-NZ 2.89Å; D25-W488 PolarHBondContact OD2-NE1 3.13Å
26	F	88.9	Confident	79.4	Confident	128 Å²	128	44.6 Å²	44.6	56%	0.561	19%	0.194	S	C	*	.	H	α-helix	trans	-48.5	-43.6	169	-179.4	-102.2	0	0	0	114.3	D28 R29 L30	F26-D28 VanDerWaalsContact C-N 3.32Å; F26-D28 PolarHBondContact O-N 3.41Å; F26-R29 WeakPolarHBondContact O-CB 3.46Å; F26-R29 PolarHBondContact O-N 3.37Å; F26-L30 PolarHBondContact O-N 3.03Å
27	A	93	Very high	81.3	Confident	7 Å²	7	47 Å²	47	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-39.8	178.6	0	0	0	0	0	111.8	D25 L30 N31 I480	D25-A27 VanDerWaalsContact C-N 3.27Å; D25-A27 PolarHBondContact O-N 2.96Å; A27-L30 WeakPolarHBondContact O-CB 3.41Å; A27-L30 PolarHBondContact O-N 3.32Å; A27-N31 PolarHBondContact O-N 3.01Å; A27-N31 PolarHBondContact O-ND2 2.99Å; A27-I480 HydrophobicContact CB-CG2 3.94Å
28	D	92.2	Very high	83.2	Confident	3 Å²	3	48 Å²	48	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-45.6	179.2	-55.2	-37.2	0	0	0	110.1	D24 D25 F26 L30 N31 Y32 Y383 K387 Y390	D24-D28 HydrophobicContact CB-CB 4.04Å; D25-D28 PolarHBondContact N-OD2 3.37Å; D25-D28 WeakPolarHBondContact O-CB 3.44Å; D25-D28 PolarHBondContact O-N 3.31Å; F26-D28 VanDerWaalsContact C-N 3.32Å; F26-D28 PolarHBondContact O-N 3.41Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.1Å; D28-N31 WeakPolarHBondContact O-CB 3.32Å; D28-N31 PolarHBondContact O-N 3.42Å; D28-N31 VanDerWaalsContact O-N 3.08Å; D28-Y32 WeakPolarHBondContact O-CD1 3.34Å; D28-Y32 PolarHBondContact O-N 3.05Å; D28-Y32 VanDerWaalsContact O-N 3.13Å; D28-Y383 PolarHBondContact OD2-OH 3.44Å; D28-Y383 VanDerWaalsContact OD2-OH 3.07Å; D28-K387 WeakPolarHBondContact OD1-CD 3.47Å; D28-K387 VanDerWaalsContact OD1-CE 3.23Å; D28-K387 WeakPolarHBondContact OD1-CE 3.4Å; D28-K387 IonicContact OD1-NZ 2.85Å; D28-K387 PolarHBondContact OD1-NZ 2.85Å; D28-K387 WeakPolarHBondContact OD2-CE 3.44Å; D28-K387 IonicContact OD2-NZ 2.83Å; D28-K387 PolarHBondContact OD2-NZ 3.08Å; D28-Y390 HydrophobicContact CB-CE2 4Å
29	R	91.2	Very high	85.3	Confident	21 Å²	21	38.6 Å²	38.6	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-55.9	-43.1	174.2	-59.5	-179.4	-164.8	-56.7	-13.4	112.2	L20 Q21 D24 D25 F26 N31 Y32 Q33 Y34	L20-R29 PolarHBondContact O-NH1 3.46Å; L20-R29 VanDerWaalsContact O-NH1 3.08Å; Q21-R29 VanDerWaalsContact CA-NH2 3.27Å; Q21-R29 PolarHBondContact O-NH2 3.33Å; D24-R29 VanDerWaalsContact CG-CZ 3.48Å; D24-R29 VanDerWaalsContact CG-NH2 3.32Å; D24-R29 PolarHBondContact O-NH2 3.46Å; D24-R29 VanDerWaalsContact O-NH2 3.17Å; D24-R29 IonicContact OD1-CZ 2.73Å; D24-R29 IonicContact OD1-NH1 3.79Å; D24-R29 PolarHBondContact OD1-NH1 3.38Å; D24-R29 IonicContact OD1-NH2 3.01Å; D24-R29 PolarHBondContact OD1-NH2 3.45Å; D24-R29 WeakPolarHBondContact OD2-CG 3.48Å; D24-R29 IonicContact OD2-CZ 2.78Å; D24-R29 VanDerWaalsContact OD2-CZ 3.31Å; D24-R29 IonicContact OD2-NE 3.31Å; D24-R29 IonicContact OD2-NH1 2.88Å; D24-R29 PolarHBondContact OD2-NH1 2.94Å; D24-R29 IonicContact OD2-NH2 3.1Å; D25-R29 WeakPolarHBondContact O-CG 3.38Å; D25-R29 PolarHBondContact O-N 2.94Å; D25-R29 VanDerWaalsContact O-N 3.15Å; F26-R29 WeakPolarHBondContact O-CB 3.46Å; F26-R29 PolarHBondContact O-N 3.37Å; R29-N31 PolarHBondContact O-N 3.48Å; R29-Y32 HydrophobicContact CB-CE1 4.41Å; R29-Y32 HydrophobicContact CG-CE1 4.25Å; R29-Q33 WeakPolarHBondContact O-CA 3.39Å; R29-Q33 VanDerWaalsContact O-CB 3.23Å; R29-Q33 WeakPolarHBondContact O-CB 3.36Å; R29-Q33 PolarHBondContact O-N 2.99Å; R29-Y34 HydrophobicContact CB-CD2 4.38Å; R29-Y34 HydrophobicContact CB-CE2 4.18Å; R29-Y34 WeakPolarHBondContact O-CD2 3.36Å; R29-Y34 PolarHBondContact O-N 3.04Å; R29-Y34 VanDerWaalsContact O-N 3.16Å
30	L	92.4	Very high	87	Confident	13 Å²	13	34.1 Å²	34.1	7%	0.068	16%	0.16	C	C	.	.	I	π-helix	trans	-55.9	-37.9	178.7	-166.7	65.6	0	0	0	111.8	F26 A27 D28 Y34 T35 W473 I477 I480	F26-L30 PolarHBondContact O-N 3.03Å; A27-L30 WeakPolarHBondContact O-CB 3.41Å; A27-L30 PolarHBondContact O-N 3.32Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.1Å; L30-Y34 HydrophobicContact CD1-CD2 4.3Å; L30-Y34 HydrophobicContact CD1-CG 4.37Å; L30-T35 PolarHBondContact O-N 3.32Å; L30-T35 PolarHBondContact O-OG1 2.95Å; L30-W473 HydrophobicContact CD1-CH2 4.21Å; L30-W473 HydrophobicContact CD1-CZ2 4.05Å; L30-I477 HydrophobicContact CD2-CG1 3.83Å; L30-I477 HydrophobicContact CG-CD1 4.24Å; L30-I477 HydrophobicContact CG-CG1 4.05Å; L30-I480 HydrophobicContact CD2-CB 4.45Å; L30-I480 HydrophobicContact CD2-CD1 3.56Å; L30-I480 HydrophobicContact CD2-CG2 4.21Å
31	N	93.2	Very high	88.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-73.4	-68.1	176.9	-69	-89.8	0	0	0	112.1	A27 D28 R29 Q33 T35 F118 Y390 I477 N481	A27-N31 PolarHBondContact O-N 3.01Å; A27-N31 PolarHBondContact O-ND2 2.99Å; D28-N31 WeakPolarHBondContact O-CB 3.32Å; D28-N31 PolarHBondContact O-N 3.42Å; D28-N31 VanDerWaalsContact O-N 3.08Å; R29-N31 PolarHBondContact O-N 3.48Å; N31-Q33 PolarHBondContact O-N 3.45Å; N31-T35 VanDerWaalsContact O-CB 3.28Å; N31-T35 WeakPolarHBondContact O-CB 3.49Å; N31-F118 HydrophobicContact CB-CD1 4.06Å; N31-Y390 HydrophobicContact CB-CD1 3.41Å; N31-Y390 VanDerWaalsContact CB-CD1 3.41Å; N31-Y390 HydrophobicContact CB-CE1 3.39Å; N31-Y390 HydrophobicContact CB-CG 4.31Å; N31-I477 VanDerWaalsContact OD1-CG2 3.31Å; N31-I477 WeakPolarHBondContact OD1-CG2 2.9Å; N31-N481 PolarHBondContact ND2-ND2 3.31Å; N31-N481 PolarHBondContact ND2-OD1 3.22Å; N31-N481 PolarHBondContact OD1-ND2 2.87Å
32	Y	90.6	Very high	90	Very high	14 Å²	14	34.5 Å²	34.5	6%	0.055	16%	0.164	C	C	.	.	I	π-helix	trans	-78.8	-24.6	-167.1	78.7	-96.3	0	0	0	113.8	D24 D28 R29 S36 C122 Y390	D24-Y32 WeakPolarHBondContact OD2-CE1 3.33Å; D24-Y32 PolarHBondContact OD2-OH 2.98Å; D24-Y32 VanDerWaalsContact OD2-OH 3.13Å; D28-Y32 WeakPolarHBondContact O-CD1 3.34Å; D28-Y32 PolarHBondContact O-N 3.05Å; D28-Y32 VanDerWaalsContact O-N 3.13Å; R29-Y32 HydrophobicContact CB-CE1 4.41Å; R29-Y32 HydrophobicContact CG-CE1 4.25Å; Y32-S36 VanDerWaalsContact O-CB 3.31Å; Y32-S36 WeakPolarHBondContact O-CB 3.33Å; Y32-S36 PolarHBondContact O-OG 3.37Å; Y32-S36 VanDerWaalsContact O-OG 3.11Å; Y32-C122 HydrophobicContact CD1-CB 4.09Å; Y32-C122 HydrophobicContact CD2-CB 4.46Å; Y32-C122 HydrophobicContact CG-CB 3.87Å; Y32-Y390 WeakPolarHBondContact CD1-OH 3.36Å
33	Q	88.2	Confident	90.6	Very high	25 Å²	25	33.4 Å²	33.4	12%	0.117	16%	0.16	C	C	.	.	I	π-helix	trans	-99.2	-63.6	-176.8	-176.2	178.1	-12.7	0	0	110.5	S17 R29 N31 V37	S17-Q33 VanDerWaalsContact CB-NE2 3.32Å; S17-Q33 VanDerWaalsContact OG-CD 3.22Å; S17-Q33 PolarHBondContact OG-NE2 3.49Å; S17-Q33 PolarHBondContact OG-OE1 3.49Å; R29-Q33 WeakPolarHBondContact O-CA 3.39Å; R29-Q33 VanDerWaalsContact O-CB 3.23Å; R29-Q33 WeakPolarHBondContact O-CB 3.36Å; R29-Q33 PolarHBondContact O-N 2.99Å; N31-Q33 PolarHBondContact O-N 3.45Å; Q33-V37 WeakPolarHBondContact O-CB 3.49Å; Q33-V37 WeakPolarHBondContact O-CG2 3.25Å; Q33-V37 PolarHBondContact O-N 3.05Å
34	Y	91.1	Very high	90.9	Very high	115 Å²	115	33.4 Å²	33.4	45%	0.451	16%	0.163	S	C	.	.	I	π-helix	trans	-70.6	-45.5	-171.8	-67.5	-82	0	0	0	112.1	R29 L30 V37 L38	R29-Y34 HydrophobicContact CB-CD2 4.38Å; R29-Y34 HydrophobicContact CB-CE2 4.18Å; R29-Y34 WeakPolarHBondContact O-CD2 3.36Å; R29-Y34 PolarHBondContact O-N 3.04Å; R29-Y34 VanDerWaalsContact O-N 3.16Å; L30-Y34 HydrophobicContact CD1-CD2 4.3Å; L30-Y34 HydrophobicContact CD1-CG 4.37Å; Y34-V37 PolarHBondContact O-N 3.32Å; Y34-L38 VanDerWaalsContact O-CB 3.3Å; Y34-L38 WeakPolarHBondContact O-CB 3.42Å; Y34-L38 PolarHBondContact O-N 2.94Å
35	T	94.1	Very high	91.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-68.9	-41.4	-179	-53.9	0	0	0	0	112.1	L30 N31 V37 L38 L39 F118 W473 I477	L30-T35 PolarHBondContact O-N 3.32Å; L30-T35 PolarHBondContact O-OG1 2.95Å; N31-T35 VanDerWaalsContact O-CB 3.28Å; N31-T35 WeakPolarHBondContact O-CB 3.49Å; T35-V37 PolarHBondContact O-N 3.18Å; T35-L38 PolarHBondContact O-N 2.99Å; T35-L39 HydrophobicContact CG2-CD1 4.14Å; T35-L39 HydrophobicContact CG2-CG 4.48Å; T35-L39 WeakPolarHBondContact O-CG 3.49Å; T35-L39 PolarHBondContact O-N 2.85Å; T35-F118 HydrophobicContact CG2-CD1 4.36Å; T35-F118 HydrophobicContact CG2-CD2 3.71Å; T35-F118 HydrophobicContact CG2-CE1 4.27Å; T35-F118 HydrophobicContact CG2-CE2 3.58Å; T35-F118 HydrophobicContact CG2-CG 4.11Å; T35-F118 HydrophobicContact CG2-CZ 3.88Å; T35-W473 PolarHBondContact OG1-NE1 3.43Å; T35-I477 HydrophobicContact CG2-CD1 4.26Å; T35-I477 WeakPolarHBondContact OG1-CD1 3.23Å
36	S	89.6	Confident	91.3	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-43.8	174.9	-60.2	0	0	0	0	111.8	Y32 L39 F40 A115	Y32-S36 VanDerWaalsContact O-CB 3.31Å; Y32-S36 WeakPolarHBondContact O-CB 3.33Å; Y32-S36 PolarHBondContact O-OG 3.37Å; Y32-S36 VanDerWaalsContact O-OG 3.11Å; S36-L39 PolarHBondContact O-N 3.38Å; S36-F40 WeakPolarHBondContact O-CD2 3.38Å; S36-F40 PolarHBondContact O-N 3.32Å; S36-A115 PolarHBondContact OG-O 3.5Å; S36-A115 VanDerWaalsContact OG-O 3.14Å
37	V	88.4	Confident	91.3	Very high	62 Å²	62	30 Å²	30	38%	0.376	15%	0.152	S	C	.	.	H	α-helix	trans	-62.9	-42.6	175.9	169.3	0	0	0	0	111.8	Q33 Y34 T35 F40 L41	Q33-V37 WeakPolarHBondContact O-CB 3.49Å; Q33-V37 WeakPolarHBondContact O-CG2 3.25Å; Q33-V37 PolarHBondContact O-N 3.05Å; Y34-V37 PolarHBondContact O-N 3.32Å; T35-V37 PolarHBondContact O-N 3.18Å; V37-F40 PolarHBondContact O-N 3.32Å; V37-L41 PolarHBondContact O-N 3.46Å
38	L	92.5	Very high	91	Very high	31 Å²	31	33.3 Å²	33.3	16%	0.162	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-44.7	176.8	177.2	68.4	0	0	0	112	Y34 T35 L41 F42 F469 L470 W473	Y34-L38 VanDerWaalsContact O-CB 3.3Å; Y34-L38 WeakPolarHBondContact O-CB 3.42Å; Y34-L38 PolarHBondContact O-N 2.94Å; T35-L38 PolarHBondContact O-N 2.99Å; L38-L41 WeakPolarHBondContact O-CB 3.31Å; L38-L41 PolarHBondContact O-N 3.47Å; L38-F42 HydrophobicContact CD1-CD2 4.39Å; L38-F42 HydrophobicContact CD1-CE2 3.67Å; L38-F42 HydrophobicContact CD1-CZ 3.92Å; L38-F42 HydrophobicContact CD2-CE2 4.29Å; L38-F42 HydrophobicContact CG-CD2 4.2Å; L38-F42 HydrophobicContact CG-CE2 3.72Å; L38-F42 HydrophobicContact CG-CZ 4.46Å; L38-F42 WeakPolarHBondContact O-CD2 3.37Å; L38-F42 PolarHBondContact O-N 2.96Å; L38-F42 VanDerWaalsContact O-N 3.11Å; L38-F469 HydrophobicContact CD1-CE1 4Å; L38-F469 HydrophobicContact CD2-CE1 3.86Å; L38-F469 HydrophobicContact CG-CE1 4.39Å; L38-L470 HydrophobicContact CD2-CD2 4.35Å; L38-W473 HydrophobicContact CD2-CD2 3.77Å; L38-W473 HydrophobicContact CD2-CG 3.85Å; L38-W473 HydrophobicContact CD2-CZ2 4.21Å
39	L	93.8	Very high	90.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-41.3	176.7	-73.1	169.3	0	0	0	111.5	T35 S36 L41 F42 I43 Q114 A115 F118 L470	T35-L39 HydrophobicContact CG2-CD1 4.14Å; T35-L39 HydrophobicContact CG2-CG 4.48Å; T35-L39 WeakPolarHBondContact O-CG 3.49Å; T35-L39 PolarHBondContact O-N 2.85Å; S36-L39 PolarHBondContact O-N 3.38Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.38Å; L39-F42 PolarHBondContact O-N 3.43Å; L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.44Å; L39-I43 PolarHBondContact O-N 3.37Å; L39-Q114 HydrophobicContact CD1-CB 4.03Å; L39-A115 HydrophobicContact CB-CB 3.92Å; L39-A115 HydrophobicContact CD1-CB 3.9Å; L39-F118 HydrophobicContact CD1-CD2 4.02Å; L39-F118 HydrophobicContact CD1-CE2 4.35Å; L39-L470 HydrophobicContact CD2-CD1 3.91Å; L39-L470 HydrophobicContact CD2-CD2 3.82Å
40	F	89.6	Confident	90.4	Very high	70 Å²	70	36.1 Å²	36.1	31%	0.307	18%	0.183	S	C	.	.	H	α-helix	trans	-63.1	-35.4	174.6	-78.7	-59.5	0	0	0	113.3	L9 S36 V37 I43 G44 A115	L9-F40 HydrophobicContact CD2-CB 4.13Å; L9-F40 HydrophobicContact CD2-CD1 3.21Å; L9-F40 HydrophobicContact CD2-CD2 4.18Å; L9-F40 HydrophobicContact CD2-CE1 3.5Å; L9-F40 VanDerWaalsContact CD2-CE1 3.5Å; L9-F40 HydrophobicContact CD2-CE2 4.42Å; L9-F40 HydrophobicContact CD2-CG 3.59Å; L9-F40 HydrophobicContact CD2-CZ 4.11Å; S36-F40 WeakPolarHBondContact O-CD2 3.38Å; S36-F40 PolarHBondContact O-N 3.32Å; V37-F40 PolarHBondContact O-N 3.32Å; F40-I43 HydrophobicContact CD1-CD1 4.01Å; F40-I43 HydrophobicContact CE1-CD1 4.43Å; F40-I43 PolarHBondContact O-N 3.1Å; F40-G44 PolarHBondContact O-N 3.47Å; F40-A115 HydrophobicContact CE2-CB 4.28Å; F40-A115 HydrophobicContact CZ-CB 4.37Å
41	L	91	Very high	90	Very high	104 Å²	104	44.5 Å²	44.5	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-61.2	-47.6	172.6	-172.8	164.2	0	0	0	110.6	V37 L38 L39 I43 G44 L45	V37-L41 PolarHBondContact O-N 3.46Å; L38-L41 WeakPolarHBondContact O-CB 3.31Å; L38-L41 PolarHBondContact O-N 3.47Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.38Å; L41-I43 PolarHBondContact O-N 3.09Å; L41-G44 PolarHBondContact O-N 3.5Å; L41-L45 PolarHBondContact O-N 3.4Å
42	F	93.9	Very high	89.5	Confident	26 Å²	26	49.9 Å²	49.9	11%	0.114	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-38.6	177.8	-69.3	-44.7	0	0	0	113.3	L38 L39 G44 L45 I46 M111 I466 F469 L470	L38-F42 HydrophobicContact CD1-CD2 4.39Å; L38-F42 HydrophobicContact CD1-CE2 3.67Å; L38-F42 HydrophobicContact CD1-CZ 3.92Å; L38-F42 HydrophobicContact CD2-CE2 4.29Å; L38-F42 HydrophobicContact CG-CD2 4.2Å; L38-F42 HydrophobicContact CG-CE2 3.72Å; L38-F42 HydrophobicContact CG-CZ 4.46Å; L38-F42 WeakPolarHBondContact O-CD2 3.37Å; L38-F42 PolarHBondContact O-N 2.96Å; L38-F42 VanDerWaalsContact O-N 3.11Å; L39-F42 PolarHBondContact O-N 3.43Å; F42-G44 VanDerWaalsContact C-N 3.29Å; F42-G44 PolarHBondContact O-N 3.11Å; F42-L45 PolarHBondContact O-N 3.15Å; F42-I46 WeakPolarHBondContact O-CB 3.35Å; F42-I46 WeakPolarHBondContact O-CD1 3.31Å; F42-I46 VanDerWaalsContact O-CG1 3.24Å; F42-I46 WeakPolarHBondContact O-CG1 3.47Å; F42-I46 PolarHBondContact O-N 3.08Å; F42-M111 HydrophobicContact CB-SD 4.04Å; F42-I466 HydrophobicContact CB-CG2 3.98Å; F42-I466 HydrophobicContact CD1-CB 4.47Å; F42-I466 HydrophobicContact CD1-CD1 4.16Å; F42-I466 HydrophobicContact CD1-CG1 3.83Å; F42-I466 HydrophobicContact CD1-CG2 3.9Å; F42-I466 HydrophobicContact CD2-CG2 3.78Å; F42-I466 HydrophobicContact CE1-CG1 4.13Å; F42-I466 HydrophobicContact CE1-CG2 4.33Å; F42-I466 HydrophobicContact CE2-CG2 4.2Å; F42-I466 HydrophobicContact CG-CG1 4.38Å; F42-I466 HydrophobicContact CG-CG2 3.62Å; F42-I466 HydrophobicContact CZ-CG2 4.47Å; F42-F469 AromaticContact CE2-CD1 3.63Å; F42-F469 HydrophobicContact CE2-CD1 3.63Å; F42-F469 AromaticContact CE2-CE1 3.76Å; F42-F469 HydrophobicContact CE2-CE1 3.76Å; F42-F469 AromaticContact CZ-CD1 3.41Å; F42-F469 HydrophobicContact CZ-CD1 3.41Å; F42-F469 VanDerWaalsContact CZ-CD1 3.41Å; F42-F469 AromaticContact CZ-CE1 3.59Å; F42-F469 HydrophobicContact CZ-CE1 3.59Å; F42-F469 HydrophobicContact CZ-CG 4.39Å; F42-L470 HydrophobicContact CD2-CD1 4.26Å; F42-L470 HydrophobicContact CD2-CD2 3.88Å; F42-L470 HydrophobicContact CD2-CG 4.13Å; F42-L470 HydrophobicContact CE2-CD2 3.69Å; F42-L470 HydrophobicContact CE2-CG 3.99Å
43	I	92.8	Very high	89.1	Confident	31 Å²	31	50.7 Å²	50.7	16%	0.159	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-44.2	172.1	-67.7	163.1	0	0	0	110.4	L39 F40 L41 I46 G47 P108 M111 A112	L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.44Å; L39-I43 PolarHBondContact O-N 3.37Å; F40-I43 HydrophobicContact CD1-CD1 4.01Å; F40-I43 HydrophobicContact CE1-CD1 4.43Å; F40-I43 PolarHBondContact O-N 3.1Å; L41-I43 PolarHBondContact O-N 3.09Å; I43-I46 PolarHBondContact O-N 2.96Å; I43-G47 PolarHBondContact O-N 3.42Å; I43-P108 HydrophobicContact CG2-CB 4.49Å; I43-M111 HydrophobicContact CD1-CB 3.93Å; I43-M111 HydrophobicContact CG1-CB 3.6Å; I43-A112 HydrophobicContact CD1-CB 3.93Å
44	G	90	Very high	88.9	Confident	15 Å²	15	53.4 Å²	53.4	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-46.6	174.9	0	0	0	0	0	112.4	F40 L41 F42 G47 V48	F40-G44 PolarHBondContact O-N 3.47Å; L41-G44 PolarHBondContact O-N 3.5Å; F42-G44 VanDerWaalsContact C-N 3.29Å; F42-G44 PolarHBondContact O-N 3.11Å; G44-G47 PolarHBondContact O-N 2.87Å; G44-V48 WeakPolarHBondContact O-CG2 3.43Å; G44-V48 PolarHBondContact O-N 3.15Å
45	L	89.9	Confident	88.7	Confident	77 Å²	77	49 Å²	49	40%	0.403	26%	0.256	S	S	.	.	H	α-helix	trans	-62.7	-44	179.4	-174.4	136	0	0	0	112.4	L41 F42 R49 F462 I466	L41-L45 PolarHBondContact O-N 3.4Å; F42-L45 PolarHBondContact O-N 3.15Å; L45-R49 PolarHBondContact O-N 3.35Å; L45-F462 HydrophobicContact CD2-CB 4.44Å; L45-F462 HydrophobicContact CD2-CD1 4.23Å; L45-I466 HydrophobicContact CD2-CD1 3.78Å
46	I	90.9	Very high	88.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-44.9	174.5	-64.8	163.7	0	0	0	110	F42 I43 V48 R49 Q50 P108 M111 L459 L463 I466	F42-I46 WeakPolarHBondContact O-CB 3.35Å; F42-I46 WeakPolarHBondContact O-CD1 3.31Å; F42-I46 VanDerWaalsContact O-CG1 3.24Å; F42-I46 WeakPolarHBondContact O-CG1 3.47Å; F42-I46 PolarHBondContact O-N 3.08Å; I43-I46 PolarHBondContact O-N 2.96Å; I46-V48 PolarHBondContact O-N 2.95Å; I46-R49 PolarHBondContact O-N 2.96Å; I46-R49 VanDerWaalsContact O-N 3.13Å; I46-Q50 WeakPolarHBondContact O-CB 3.31Å; I46-Q50 PolarHBondContact O-N 3.37Å; I46-P108 HydrophobicContact CG2-CG 3.78Å; I46-M111 HydrophobicContact CD1-CE 3.65Å; I46-M111 HydrophobicContact CD1-SD 3.48Å; I46-M111 WeakPolarHBondContact CD1-SD 3.31Å; I46-L459 HydrophobicContact CG2-CD1 4.13Å; I46-L463 HydrophobicContact CD1-CD2 3.54Å; I46-L463 HydrophobicContact CG1-CD2 3.92Å; I46-I466 HydrophobicContact CD1-CD1 3.99Å; I46-I466 HydrophobicContact CG1-CD1 3.77Å
47	G	89	Confident	88.6	Confident	5 Å²	5	53.2 Å²	53.2	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-40.7	180	0	0	0	0	0	113.3	I43 G44 R49 Q50 Y51	I43-G47 PolarHBondContact O-N 3.42Å; G44-G47 PolarHBondContact O-N 2.87Å; G47-R49 VanDerWaalsContact C-N 3.32Å; G47-R49 PolarHBondContact O-N 3.27Å; G47-Q50 PolarHBondContact O-N 3.18Å; G47-Y51 WeakPolarHBondContact O-CD2 3.49Å; G47-Y51 PolarHBondContact O-N 2.86Å
48	V	87.7	Confident	88.9	Confident	77 Å²	77	51 Å²	51	47%	0.467	26%	0.262	S	S	.	.	I	π-helix	trans	-59.6	-45.3	173.9	171.4	0	0	0	0	110.3	G44 I46 Q50 V52 G53	G44-V48 WeakPolarHBondContact O-CG2 3.43Å; G44-V48 PolarHBondContact O-N 3.15Å; I46-V48 PolarHBondContact O-N 2.95Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 3.45Å; V48-V52 VanDerWaalsContact O-CB 3.29Å; V48-V52 WeakPolarHBondContact O-CB 3.23Å; V48-V52 PolarHBondContact O-N 3.35Å; V48-G53 PolarHBondContact O-N 3.32Å
49	R	85.5	Confident	89	Confident	58 Å²	58	59.3 Å²	59.3	22%	0.219	29%	0.292	C	S	.	.	I	π-helix	trans	-68.9	-32.2	179.8	-169.9	66.6	-172.3	83.7	-7.2	113.2	L45 I46 G47 K54 P458 L459 F462	L45-R49 PolarHBondContact O-N 3.35Å; I46-R49 PolarHBondContact O-N 2.96Å; I46-R49 VanDerWaalsContact O-N 3.13Å; G47-R49 VanDerWaalsContact C-N 3.32Å; G47-R49 PolarHBondContact O-N 3.27Å; R49-K54 PolarHBondContact NH1-O 3.46Å; R49-K54 PolarHBondContact NH2-O 2.91Å; R49-P458 VanDerWaalsContact NH2-CB 3.26Å; R49-L459 HydrophobicContact CB-CD1 3.88Å; R49-L459 HydrophobicContact CG-CD1 3.79Å; R49-F462 HydrophobicContact CG-CD2 4.18Å; R49-F462 HydrophobicContact CG-CE2 4.16Å
50	Q	85.5	Confident	88.9	Confident	26 Å²	26	60.7 Å²	60.7	12%	0.121	30%	0.299	C	S	.	.	I	π-helix	trans	-81	-37.4	-176.4	-176.6	172.8	-7.2	0	0	113.6	I46 G47 V48 W77	I46-Q50 WeakPolarHBondContact O-CB 3.31Å; I46-Q50 PolarHBondContact O-N 3.37Å; G47-Q50 PolarHBondContact O-N 3.18Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 3.45Å; Q50-W77 HydrophobicContact CG-CZ2 4.17Å
51	Y	83.3	Confident	89	Confident	188 Å²	188	59 Å²	59	74%	0.737	29%	0.294	S	S	*	.	I	π-helix	trans	-106.1	-31.1	-174	-67.1	-73.5	0	0	0	114.5	G47	G47-Y51 WeakPolarHBondContact O-CD2 3.49Å; G47-Y51 PolarHBondContact O-N 2.86Å
52	V	82.9	Confident	89	Confident	114 Å²	114	63.4 Å²	63.4	69%	0.691	31%	0.312	S	S	*	.	I	π-helix	trans	-94	-35.3	-179.7	-175.5	0	0	0	0	110.9	V48	V48-V52 VanDerWaalsContact O-CB 3.29Å; V48-V52 WeakPolarHBondContact O-CB 3.23Å; V48-V52 PolarHBondContact O-N 3.35Å
53	G	82.2	Confident	88.8	Confident	30 Å²	30	68.4 Å²	68.4	31%	0.309	34%	0.336	S	S	.	.	S	Bend	trans	-93.1	168	173.9	0	0	0	0	0	112.9	V48 P55	V48-G53 PolarHBondContact O-N 3.32Å; G53-P55 VanDerWaalsContact O-CD 3.28Å; G53-P55 WeakPolarHBondContact O-CD 3.41Å
54	K	83.4	Confident	88.7	Confident	83 Å²	83	68.5 Å²	68.5	36%	0.361	34%	0.335	S	S	.	.			trans	-72.6	111.4	167.8	-72.5	-167	167.3	-147.3	0	109.9	R49 I56 Q57 E69 E73	R49-K54 PolarHBondContact NH1-O 3.46Å; R49-K54 PolarHBondContact NH2-O 2.91Å; K54-I56 VanDerWaalsContact C-N 3.26Å; K54-I56 PolarHBondContact O-N 3.35Å; K54-Q57 HydrophobicContact CB-CG 4.23Å; K54-Q57 HydrophobicContact CD-CG 4.09Å; K54-E69 IonicContact NZ-OE1 3.63Å; K54-E73 IonicContact NZ-OE1 3.62Å; K54-E73 IonicContact NZ-OE2 2.91Å; K54-E73 PolarHBondContact NZ-OE2 3.18Å
55	P	85.9	Confident	88.9	Confident	21 Å²	21	71.9 Å²	71.9	14%	0.136	35%	0.353	C	S	.	.	S	Bend	trans	-68.2	-28.2	-175.2	27.3	-34.7	0	0	0	112.7	G53 W77	G53-P55 VanDerWaalsContact O-CD 3.28Å; G53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-W77 HydrophobicContact CB-CD2 4.12Å; P55-W77 HydrophobicContact CB-CE3 3.88Å; P55-W77 HydrophobicContact CB-CH2 3.88Å; P55-W77 HydrophobicContact CB-CZ2 4.13Å; P55-W77 HydrophobicContact CB-CZ3 3.76Å; P55-W77 HydrophobicContact CG-CD2 4.06Å; P55-W77 HydrophobicContact CG-CE3 4.21Å; P55-W77 HydrophobicContact CG-CG 4.44Å
56	I	90.8	Very high	89	Confident	3 Å²	3	77.2 Å²	77.2	2%	0.015	37%	0.368	C	S	.	.			trans	-137.6	149.1	-179.8	-169.3	166.2	0	0	0	108.9	K54 E73 C76 W77 T81 C455 L457	K54-I56 VanDerWaalsContact C-N 3.26Å; K54-I56 PolarHBondContact O-N 3.35Å; I56-E73 HydrophobicContact CG2-CB 4.19Å; I56-E73 WeakPolarHBondContact CG2-O 3.48Å; I56-C76 HydrophobicContact CD1-CB 4.11Å; I56-W77 HydrophobicContact CB-CE3 4.18Å; I56-W77 HydrophobicContact CG2-CB 3.98Å; I56-W77 HydrophobicContact CG2-CE3 4.39Å; I56-T81 HydrophobicContact CD1-CG2 3.93Å; I56-C455 HydrophobicContact CD1-CB 3.7Å; I56-C455 HydrophobicContact CG1-CB 3.81Å; I56-L457 HydrophobicContact CB-CD1 3.84Å; I56-L457 HydrophobicContact CD1-CD1 3.6Å; I56-L457 HydrophobicContact CG1-CD1 3.57Å
57	Q	92.2	Very high	89.1	Confident	96 Å²	96	79.4 Å²	79.4	45%	0.449	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.1	169	-67.3	-178.5	-66.4	0	0	108.7	K54 E73 C455 V456	K54-Q57 HydrophobicContact CB-CG 4.23Å; K54-Q57 HydrophobicContact CD-CG 4.09Å; Q57-E73 WeakPolarHBondContact CA-OE1 3.39Å; Q57-C455 CarbonylContact O-C 3.52Å; Q57-C455 WeakPolarHBondContact O-CA 3.31Å; Q57-V456 PolarHBondContact N-O 3.4Å; Q57-V456 VanDerWaalsContact N-O 3.13Å; Q57-V456 PolarHBondContact O-N 3.01Å
58	C	94.8	Very high	89.3	Confident	16 Å²	16	85.5 Å²	85.5	11%	0.108	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.1	-174	-62.4	0	0	0	0	111.9	I60 E73 L453 C455	C58-I60 HydrophobicContact CB-CD1 4.17Å; C58-I60 HydrophobicContact CB-CG1 4.09Å; C58-I60 PolarHBondContact O-N 3.21Å; C58-E73 HydrophobicContact CB-CG 4.33Å; C58-E73 PolarHBondContact N-OE1 3.15Å; C58-L453 HydrophobicContact CB-CB 4.43Å; C58-C455 HydrophobicContact CB-CB 4.1Å; C58-C455 WeakPolarHBondContact CB-SG 3.06Å; C58-C455 WeakPolarHBondContact SG-CB 3.44Å; C58-C455 CovalentContact SG-SG 2.05Å; C58-C455 PolarHBondContact SG-SG 3.16Å
59	W	93.5	Very high	89.5	Confident	206 Å²	206	85.1 Å²	85.1	78%	0.78	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	106.5	168.9	-172.3	-84.6	0	0	0	108.9	Q454	W59-Q454 HydrophobicContact CB-CB 4.27Å; W59-Q454 WeakPolarHBondContact CB-O 3.43Å; W59-Q454 PolarHBondContact N-O 3.13Å
60	I	92.6	Very high	89.8	Confident	29 Å²	29	86 Å²	86	15%	0.149	41%	0.412	C	S	.	.			trans	-110.6	145	-171.1	-69.5	152.6	0	0	0	109.7	C58 F64 E69 A72 E73 L453	C58-I60 HydrophobicContact CB-CD1 4.17Å; C58-I60 HydrophobicContact CB-CG1 4.09Å; C58-I60 PolarHBondContact O-N 3.21Å; I60-F64 HydrophobicContact CG2-CB 3.51Å; I60-F64 HydrophobicContact CG2-CD2 3.33Å; I60-F64 HydrophobicContact CG2-CE2 4.2Å; I60-F64 HydrophobicContact CG2-CG 3.66Å; I60-E69 HydrophobicContact CD1-CB 3.68Å; I60-E69 HydrophobicContact CD1-CG 3.48Å; I60-E69 VanDerWaalsContact CD1-CG 3.48Å; I60-A72 HydrophobicContact CD1-CB 4.38Å; I60-A72 HydrophobicContact CG1-CB 4.49Å; I60-E73 HydrophobicContact CD1-CG 4.23Å; I60-L453 HydrophobicContact CG1-CD1 4.38Å
61	P	92	Very high	90.1	Very high	33 Å²	33	91 Å²	91	21%	0.214	43%	0.431	C	S	.	.			trans	-58.5	144.8	175.5	-23.2	34.1	0	0	0	112.6	E63 F64 Y451	P61-E63 HydrophobicContact CB-CG 4.07Å; P61-E63 WeakPolarHBondContact CB-OE1 3.35Å; P61-E63 WeakPolarHBondContact CB-OE2 3.36Å; P61-E63 PolarHBondContact O-N 2.91Å; P61-E63 VanDerWaalsContact O-N 3.13Å; P61-F64 PolarHBondContact O-N 3.12Å; P61-F64 VanDerWaalsContact O-N 3.08Å; P61-Y451 HydrophobicContact CG-CD1 4.15Å; P61-Y451 HydrophobicContact CG-CE1 4.43Å
62	Q	90.7	Very high	90.6	Very high	197 Å²	197	82.1 Å²	82.1	92%	0.921	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.9	-174.9	-171.6	175.2	-7.2	0	0	113.1	F64	Q62-F64 VanDerWaalsContact C-N 3.27Å; Q62-F64 PolarHBondContact O-N 3.31Å
63	E	90	Very high	91.1	Very high	131 Å²	131	77.2 Å²	77.2	61%	0.612	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.5	175.6	61.4	-97.3	-147.5	0	0	114.8	P61	P61-E63 HydrophobicContact CB-CG 4.07Å; P61-E63 WeakPolarHBondContact CB-OE1 3.35Å; P61-E63 WeakPolarHBondContact CB-OE2 3.36Å; P61-E63 PolarHBondContact O-N 2.91Å; P61-E63 VanDerWaalsContact O-N 3.13Å
64	F	90.7	Very high	91.5	Very high	33 Å²	33	80.4 Å²	80.4	15%	0.145	38%	0.376	C	S	.	.	S	Bend	trans	-78.5	132.3	-179.7	-78.8	20.9	0	0	0	110.2	I60 P61 Q62 W68 L440 Y451	I60-F64 HydrophobicContact CG2-CB 3.51Å; I60-F64 HydrophobicContact CG2-CD2 3.33Å; I60-F64 HydrophobicContact CG2-CE2 4.2Å; I60-F64 HydrophobicContact CG2-CG 3.66Å; P61-F64 PolarHBondContact O-N 3.12Å; P61-F64 VanDerWaalsContact O-N 3.08Å; Q62-F64 VanDerWaalsContact C-N 3.27Å; Q62-F64 PolarHBondContact O-N 3.31Å; F64-W68 HydrophobicContact CB-CB 3.88Å; F64-W68 HydrophobicContact CD2-CB 3.9Å; F64-W68 HydrophobicContact CG-CB 3.96Å; F64-L440 HydrophobicContact CE2-CD2 3.87Å; F64-L440 HydrophobicContact CZ-CD2 4.31Å; F64-Y451 HydrophobicContact CE1-CE2 4.43Å; F64-Y451 HydrophobicContact CZ-CD2 4.17Å; F64-Y451 HydrophobicContact CZ-CE2 4.13Å; F64-Y451 HydrophobicContact CZ-CG 4.41Å
65	T	93.2	Very high	92	Very high	87 Å²	87	80.1 Å²	80.1	53%	0.534	37%	0.373	S	S	.	.			trans	-75.4	164.6	171.3	84.6	0	0	0	0	110.2	G67 W68 E69	T65-G67 PolarHBondContact O-N 3.34Å; T65-G67 VanDerWaalsContact O-N 3.1Å; T65-W68 WeakPolarHBondContact O-CA 3.46Å; T65-W68 WeakPolarHBondContact O-CB 3.43Å; T65-W68 PolarHBondContact O-N 2.96Å; T65-W68 VanDerWaalsContact OG1-CD1 3.25Å; T65-E69 PolarHBondContact O-N 3.29Å
66	R	92.1	Very high	92.3	Very high	188 Å²	188	79.1 Å²	79.1	71%	0.709	37%	0.366	S	S	*	.	H	α-helix	trans	-52.4	-36.2	179.8	-176.2	178.9	167.3	176.3	1.1	113.9	W68 E69 E70	R66-W68 VanDerWaalsContact C-N 3.31Å; R66-W68 PolarHBondContact O-N 3.41Å; R66-E69 WeakPolarHBondContact O-CB 3.43Å; R66-E69 PolarHBondContact O-N 3.21Å; R66-E70 IonicContact CZ-OE1 3.75Å; R66-E70 IonicContact NE-OE1 3.09Å; R66-E70 PolarHBondContact NE-OE1 3.02Å; R66-E70 VanDerWaalsContact NE-OE1 3.09Å; R66-E70 IonicContact NH2-OE1 3.51Å; R66-E70 PolarHBondContact O-N 3.5Å
67	G	92.9	Very high	92.3	Very high	46 Å²	46	80.5 Å²	80.5	47%	0.474	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-32	176.4	0	0	0	0	0	113.1	T65 Y71	T65-G67 PolarHBondContact O-N 3.34Å; T65-G67 VanDerWaalsContact O-N 3.1Å; G67-Y71 WeakPolarHBondContact O-CB 3.25Å; G67-Y71 PolarHBondContact O-N 3.29Å
68	W	92.7	Very high	92.1	Very high	134 Å²	134	80.9 Å²	80.9	51%	0.508	38%	0.38	S	S	.	.	H	α-helix	trans	-75.9	-33.5	174.3	-68.2	74.3	0	0	0	111.8	F64 T65 R66 Y71 A72	F64-W68 HydrophobicContact CB-CB 3.88Å; F64-W68 HydrophobicContact CD2-CB 3.9Å; F64-W68 HydrophobicContact CG-CB 3.96Å; T65-W68 WeakPolarHBondContact O-CA 3.46Å; T65-W68 WeakPolarHBondContact O-CB 3.43Å; T65-W68 PolarHBondContact O-N 2.96Å; T65-W68 VanDerWaalsContact OG1-CD1 3.25Å; R66-W68 VanDerWaalsContact C-N 3.31Å; R66-W68 PolarHBondContact O-N 3.41Å; W68-Y71 PolarHBondContact O-N 3.28Å; W68-A72 VanDerWaalsContact O-CB 3.28Å; W68-A72 WeakPolarHBondContact O-CB 3.07Å; W68-A72 PolarHBondContact O-N 3.24Å
69	E	92.8	Very high	91.8	Very high	69 Å²	69	82.1 Å²	82.1	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-59.5	-53.6	170.3	160.8	177.8	178.7	0	0	110.9	K54 I60 T65 R66 Y71 A72 E73	K54-E69 IonicContact NZ-OE1 3.63Å; I60-E69 HydrophobicContact CD1-CB 3.68Å; I60-E69 HydrophobicContact CD1-CG 3.48Å; I60-E69 VanDerWaalsContact CD1-CG 3.48Å; T65-E69 PolarHBondContact O-N 3.29Å; R66-E69 WeakPolarHBondContact O-CB 3.43Å; R66-E69 PolarHBondContact O-N 3.21Å; E69-Y71 VanDerWaalsContact C-N 3.27Å; E69-Y71 PolarHBondContact O-N 3.35Å; E69-A72 PolarHBondContact O-N 2.9Å; E69-A72 VanDerWaalsContact O-N 3.13Å; E69-E73 HydrophobicContact CG-CG 4.49Å; E69-E73 WeakPolarHBondContact O-CG 3.44Å; E69-E73 PolarHBondContact O-N 3.17Å
70	E	91.8	Very high	91.5	Very high	77 Å²	77	74 Å²	74	36%	0.36	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-36	179.5	-69.7	175.8	-169.1	0	0	111.4	R66 N74	R66-E70 IonicContact CZ-OE1 3.75Å; R66-E70 IonicContact NE-OE1 3.09Å; R66-E70 PolarHBondContact NE-OE1 3.02Å; R66-E70 VanDerWaalsContact NE-OE1 3.09Å; R66-E70 IonicContact NH2-OE1 3.51Å; R66-E70 PolarHBondContact O-N 3.5Å; E70-N74 VanDerWaalsContact O-CB 3.29Å; E70-N74 WeakPolarHBondContact O-CB 3.38Å; E70-N74 VanDerWaalsContact O-CG 3.23Å; E70-N74 PolarHBondContact O-N 3.46Å; E70-N74 PolarHBondContact O-ND2 3.38Å
71	Y	92.6	Very high	91.4	Very high	131 Å²	131	72.6 Å²	72.6	51%	0.514	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-47.1	172.4	175.7	-100.6	0	0	0	112.2	G67 W68 E69 N74 Y75 L440	G67-Y71 WeakPolarHBondContact O-CB 3.25Å; G67-Y71 PolarHBondContact O-N 3.29Å; W68-Y71 PolarHBondContact O-N 3.28Å; E69-Y71 VanDerWaalsContact C-N 3.27Å; E69-Y71 PolarHBondContact O-N 3.35Å; Y71-N74 PolarHBondContact O-N 3.17Å; Y71-Y75 WeakPolarHBondContact O-CB 3.35Å; Y71-Y75 PolarHBondContact O-N 3.02Å; Y71-L440 HydrophobicContact CE1-CD1 4.17Å
72	A	93.5	Very high	91.3	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-44.1	-179.5	0	0	0	0	0	111.7	I60 W68 E69 Y75 C76 L440 L453	I60-A72 HydrophobicContact CD1-CB 4.38Å; I60-A72 HydrophobicContact CG1-CB 4.49Å; W68-A72 VanDerWaalsContact O-CB 3.28Å; W68-A72 WeakPolarHBondContact O-CB 3.07Å; W68-A72 PolarHBondContact O-N 3.24Å; E69-A72 PolarHBondContact O-N 2.9Å; E69-A72 VanDerWaalsContact O-N 3.13Å; A72-Y75 PolarHBondContact O-N 3.38Å; A72-C76 WeakPolarHBondContact O-CB 3.46Å; A72-C76 PolarHBondContact O-N 3.4Å; A72-C76 PolarHBondContact O-SG 3.24Å; A72-L440 HydrophobicContact CB-CD2 3.96Å; A72-L453 HydrophobicContact CB-CD1 3.87Å
73	E	92.7	Very high	91.1	Very high	12 Å²	12	63.7 Å²	63.7	6%	0.056	31%	0.311	C	S	.	.	H	α-helix	trans	-58.9	-48.5	174.7	-71.8	-175.2	154.1	0	0	111	K54 I56 Q57 C58 I60 E69 C76 W77	K54-E73 IonicContact NZ-OE1 3.62Å; K54-E73 IonicContact NZ-OE2 2.91Å; K54-E73 PolarHBondContact NZ-OE2 3.18Å; I56-E73 HydrophobicContact CG2-CB 4.19Å; I56-E73 WeakPolarHBondContact CG2-O 3.48Å; Q57-E73 WeakPolarHBondContact CA-OE1 3.39Å; C58-E73 HydrophobicContact CB-CG 4.33Å; C58-E73 PolarHBondContact N-OE1 3.15Å; I60-E73 HydrophobicContact CD1-CG 4.23Å; E69-E73 HydrophobicContact CG-CG 4.49Å; E69-E73 WeakPolarHBondContact O-CG 3.44Å; E69-E73 PolarHBondContact O-N 3.17Å; E73-C76 PolarHBondContact O-N 3.45Å; E73-W77 WeakPolarHBondContact O-CB 3.35Å; E73-W77 PolarHBondContact O-N 3.21Å
74	N	91.3	Very high	90.8	Very high	97 Å²	97	57.7 Å²	57.7	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-39.1	178.9	-74.7	-41.4	0	0	0	112.6	E70 Y71 W77 V78	E70-N74 VanDerWaalsContact O-CB 3.29Å; E70-N74 WeakPolarHBondContact O-CB 3.38Å; E70-N74 VanDerWaalsContact O-CG 3.23Å; E70-N74 PolarHBondContact O-N 3.46Å; E70-N74 PolarHBondContact O-ND2 3.38Å; Y71-N74 PolarHBondContact O-N 3.17Å; N74-W77 PolarHBondContact O-N 3.45Å; N74-V78 WeakPolarHBondContact O-CG2 3.37Å; N74-V78 PolarHBondContact O-N 3.04Å
75	Y	92.4	Very high	90.4	Very high	77 Å²	77	58.3 Å²	58.3	30%	0.302	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-50.7	174.8	177.9	-89.6	0	0	0	110.4	Y71 A72 W77 V78 A79 L440	Y71-Y75 WeakPolarHBondContact O-CB 3.35Å; Y71-Y75 PolarHBondContact O-N 3.02Å; A72-Y75 PolarHBondContact O-N 3.38Å; Y75-W77 VanDerWaalsContact C-N 3.3Å; Y75-W77 PolarHBondContact O-N 2.9Å; Y75-V78 PolarHBondContact O-N 3.46Å; Y75-V78 VanDerWaalsContact O-N 3.17Å; Y75-A79 HydrophobicContact CD1-CB 4.27Å; Y75-A79 HydrophobicContact CE1-CB 3.96Å; Y75-A79 WeakPolarHBondContact O-CB 3.4Å; Y75-A79 PolarHBondContact O-N 3.25Å; Y75-L440 HydrophobicContact CD1-CD1 3.48Å; Y75-L440 VanDerWaalsContact CD1-CD1 3.48Å; Y75-L440 HydrophobicContact CD2-CD1 4.31Å; Y75-L440 HydrophobicContact CE1-CD1 3.86Å; Y75-L440 HydrophobicContact CG-CD1 3.73Å
76	C	92.1	Very high	89.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-33.2	179.2	-69.8	0	0	0	0	112.9	I56 A72 E73 C438	I56-C76 HydrophobicContact CD1-CB 4.11Å; A72-C76 WeakPolarHBondContact O-CB 3.46Å; A72-C76 PolarHBondContact O-N 3.4Å; A72-C76 PolarHBondContact O-SG 3.24Å; E73-C76 PolarHBondContact O-N 3.45Å; C76-C438 WeakPolarHBondContact CA-SG 3.25Å; C76-C438 HydrophobicContact CB-CB 3.64Å; C76-C438 WeakPolarHBondContact CB-SG 3.5Å; C76-C438 WeakPolarHBondContact SG-CB 3.31Å; C76-C438 CovalentContact SG-SG 2.03Å; C76-C438 PolarHBondContact SG-SG 3.36Å
77	W	91.1	Very high	89.1	Confident	31 Å²	31	57.7 Å²	57.7	12%	0.117	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-45.9	172.2	-179.9	-107.6	0	0	0	111.5	Q50 P55 I56 E73 N74 Y75 Y104 Q105 L457 L459	Q50-W77 HydrophobicContact CG-CZ2 4.17Å; P55-W77 HydrophobicContact CB-CD2 4.12Å; P55-W77 HydrophobicContact CB-CE3 3.88Å; P55-W77 HydrophobicContact CB-CH2 3.88Å; P55-W77 HydrophobicContact CB-CZ2 4.13Å; P55-W77 HydrophobicContact CB-CZ3 3.76Å; P55-W77 HydrophobicContact CG-CD2 4.06Å; P55-W77 HydrophobicContact CG-CE3 4.21Å; P55-W77 HydrophobicContact CG-CG 4.44Å; I56-W77 HydrophobicContact CB-CE3 4.18Å; I56-W77 HydrophobicContact CG2-CB 3.98Å; I56-W77 HydrophobicContact CG2-CE3 4.39Å; E73-W77 WeakPolarHBondContact O-CB 3.35Å; E73-W77 PolarHBondContact O-N 3.21Å; N74-W77 PolarHBondContact O-N 3.45Å; Y75-W77 VanDerWaalsContact C-N 3.3Å; Y75-W77 PolarHBondContact O-N 2.9Å; W77-Y104 HydrophobicContact CD2-CE2 4.33Å; W77-Y104 HydrophobicContact CE3-CD2 4.16Å; W77-Y104 AromaticContact CE3-CE2 3.71Å; W77-Y104 HydrophobicContact CE3-CE2 3.71Å; W77-Y104 AromaticContact CH2-CD2 3.41Å; W77-Y104 HydrophobicContact CH2-CD2 3.41Å; W77-Y104 VanDerWaalsContact CH2-CD2 3.41Å; W77-Y104 AromaticContact CH2-CE2 3.81Å; W77-Y104 HydrophobicContact CH2-CE2 3.81Å; W77-Y104 HydrophobicContact CZ2-CD2 4.16Å; W77-Y104 HydrophobicContact CZ2-CE2 4.39Å; W77-Y104 AromaticContact CZ3-CD2 3.4Å; W77-Y104 HydrophobicContact CZ3-CD2 3.4Å; W77-Y104 VanDerWaalsContact CZ3-CD2 3.4Å; W77-Y104 AromaticContact CZ3-CE2 3.43Å; W77-Y104 HydrophobicContact CZ3-CE2 3.43Å; W77-Y104 VanDerWaalsContact CZ3-CE2 3.43Å; W77-Y104 HydrophobicContact CZ3-CG 4.5Å; W77-Q105 PolarHBondContact O-NE2 3.43Å; W77-L457 HydrophobicContact CE3-CD1 4.41Å; W77-L457 HydrophobicContact CZ3-CD1 4.21Å; W77-L459 HydrophobicContact CH2-CD2 3.75Å
78	V	89.8	Confident	88.4	Confident	104 Å²	104	60.5 Å²	60.5	63%	0.63	30%	0.3	S	S	*	.	H	α-helix	trans	-80.7	-40.3	-174.9	175.3	0	0	0	0	112.7	N74 Y75 N80 Q105	N74-V78 WeakPolarHBondContact O-CG2 3.37Å; N74-V78 PolarHBondContact O-N 3.04Å; Y75-V78 PolarHBondContact O-N 3.46Å; Y75-V78 VanDerWaalsContact O-N 3.17Å; V78-N80 PolarHBondContact O-N 2.95Å; V78-Q105 PolarHBondContact O-NE2 2.94Å
79	A	86.8	Confident	88	Confident	43 Å²	43	65.7 Å²	65.7	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-72.6	-6.4	-177.2	0	0	0	0	0	114	Y75	Y75-A79 HydrophobicContact CD1-CB 4.27Å; Y75-A79 HydrophobicContact CE1-CB 3.96Å; Y75-A79 WeakPolarHBondContact O-CB 3.4Å; Y75-A79 PolarHBondContact O-N 3.25Å
80	N	87.8	Confident	87.6	Confident	34 Å²	34	65.7 Å²	65.7	18%	0.182	32%	0.321	C	S	.	.			trans	69	155.4	-168.2	-48	-75.5	0	0	0	112.8	V78 L100 V102 Y104 Q105	V78-N80 PolarHBondContact O-N 2.95Å; N80-L100 HydrophobicContact CB-CD2 4.28Å; N80-V102 HydrophobicContact CB-CG2 4.45Å; N80-Y104 WeakPolarHBondContact CA-OH 3.47Å; N80-Q105 VanDerWaalsContact OD1-CD 3.29Å; N80-Q105 PolarHBondContact OD1-NE2 3.3Å; N80-Q105 VanDerWaalsContact OD1-NE2 3.12Å; N80-Q105 PolarHBondContact OD1-OE1 3.29Å
81	T	90.4	Very high	87.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	163.1	175.2	65.2	0	0	0	0	110.4	I56 L100 L101 Y104 T436 F437 C438	I56-T81 HydrophobicContact CD1-CG2 3.93Å; T81-L100 WeakPolarHBondContact O-CA 3.34Å; T81-L101 WeakPolarHBondContact O-CB 3.49Å; T81-L101 PolarHBondContact O-N 3.37Å; T81-Y104 PolarHBondContact N-OH 3.31Å; T81-T436 VanDerWaalsContact CB-OG1 3.28Å; T81-T436 WeakPolarHBondContact CB-OG1 3.45Å; T81-T436 WeakPolarHBondContact OG1-CB 3.5Å; T81-T436 PolarHBondContact OG1-OG1 3.24Å; T81-F437 CarbonylContact C-O 3.58Å; T81-F437 WeakPolarHBondContact CA-O 3.39Å; T81-F437 WeakPolarHBondContact CB-O 3.41Å; T81-C438 HydrophobicContact CG2-CB 4.18Å
82	Y	89.2	Confident	86.7	Confident	7 Å²	7	60.8 Å²	60.8	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.8	175.9	61.9	-89.2	0	0	0	112	A84 L90 P91 R96 S99 T436 F437 D439	Y82-A84 HydrophobicContact CD2-CB 4.4Å; Y82-A84 HydrophobicContact CE2-CB 4.31Å; Y82-L90 HydrophobicContact CE2-CD2 4.32Å; Y82-P91 HydrophobicContact CE2-CG 4.46Å; Y82-R96 HydrophobicContact CD1-CB 4.31Å; Y82-R96 HydrophobicContact CD2-CB 4.42Å; Y82-R96 HydrophobicContact CD2-CG 4.22Å; Y82-R96 HydrophobicContact CE1-CB 4.46Å; Y82-R96 HydrophobicContact CE1-CG 4.3Å; Y82-R96 HydrophobicContact CE2-CG 3.93Å; Y82-R96 HydrophobicContact CG-CB 4.3Å; Y82-R96 PolarHBondContact OH-NH1 3.48Å; Y82-S99 VanDerWaalsContact CA-O 3.23Å; Y82-S99 WeakPolarHBondContact CA-O 3.25Å; Y82-S99 WeakPolarHBondContact CB-O 3.24Å; Y82-T436 WeakPolarHBondContact O-CA 3.41Å; Y82-F437 HydrophobicContact CD1-CB 4.47Å; Y82-F437 WeakPolarHBondContact CD1-O 3.41Å; Y82-F437 HydrophobicContact CD2-CB 4.12Å; Y82-F437 HydrophobicContact CE1-CB 3.96Å; Y82-F437 WeakPolarHBondContact CE1-O 3.37Å; Y82-F437 HydrophobicContact CE2-CB 3.56Å; Y82-F437 HydrophobicContact CE2-CG 4.39Å; Y82-F437 VanDerWaalsContact CZ-CB 3.47Å; Y82-F437 PolarHBondContact N-O 3.12Å; Y82-F437 PolarHBondContact O-N 3.39Å; Y82-D439 WeakPolarHBondContact CE1-OD2 3.34Å; Y82-D439 PolarHBondContact OH-OD1 2.89Å; Y82-D439 VanDerWaalsContact OH-OD1 3.14Å; Y82-D439 PolarHBondContact OH-OD2 3.33Å
83	F	86.5	Confident	85.9	Confident	36 Å²	36	66.4 Å²	66.4	16%	0.158	34%	0.341	C	S	.	.			trans	-84	131.8	173.2	175.6	-118	0	0	0	110.7	P85 S99 L101 W426 P433	F83-P85 HydrophobicContact CZ-CG 4.36Å; F83-S99 PolarHBondContact N-O 2.96Å; F83-S99 VanDerWaalsContact N-O 3.11Å; F83-S99 PolarHBondContact O-OG 3.13Å; F83-L101 HydrophobicContact CB-CD1 4.15Å; F83-W426 HydrophobicContact CD2-CZ3 4.26Å; F83-W426 HydrophobicContact CE2-CE3 4.02Å; F83-W426 AromaticContact CE2-CZ3 3.7Å; F83-W426 HydrophobicContact CE2-CZ3 3.7Å; F83-P433 HydrophobicContact CB-CB 4.39Å; F83-P433 HydrophobicContact CB-CG 4.16Å; F83-P433 HydrophobicContact CD2-CB 3.48Å; F83-P433 VanDerWaalsContact CD2-CB 3.48Å; F83-P433 HydrophobicContact CD2-CG 4.17Å; F83-P433 HydrophobicContact CE2-CB 4.07Å; F83-P433 HydrophobicContact CG-CB 4.12Å; F83-P433 HydrophobicContact CG-CG 4.35Å
84	A	84.7	Confident	85.1	Confident	5 Å²	5	70.1 Å²	70.1	4%	0.041	37%	0.366	C	S	.	.			trans	-143.6	137.5	166.4	0	0	0	0	0	109.1	Y82 V86 L90 P91 F437	Y82-A84 HydrophobicContact CD2-CB 4.4Å; Y82-A84 HydrophobicContact CE2-CB 4.31Å; A84-V86 PolarHBondContact O-N 3.45Å; A84-L90 HydrophobicContact CB-CD2 4.04Å; A84-P91 HydrophobicContact CB-CG 4.46Å; A84-F437 HydrophobicContact CB-CD2 3.77Å; A84-F437 HydrophobicContact CB-CE2 3.97Å; A84-F437 WeakPolarHBondContact O-CE2 3Å
85	P	81.1	Confident	84.5	Confident	47 Å²	47	69.4 Å²	69.4	31%	0.305	36%	0.362	S	S	.	.			trans	-64.4	131.7	172.4	-19.2	31.7	0	0	0	110.7	F83 E87 N88	F83-P85 HydrophobicContact CZ-CG 4.36Å; P85-E87 PolarHBondContact O-N 3.11Å; P85-N88 HydrophobicContact CB-CB 4.33Å; P85-N88 PolarHBondContact O-N 3.17Å
86	V	79.3	Confident	83.9	Confident	83 Å²	83	67.5 Å²	67.5	50%	0.503	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.4	-176.9	179.8	0	0	0	0	112.3	A84 N88 F437	A84-V86 PolarHBondContact O-N 3.45Å; V86-N88 VanDerWaalsContact C-N 3.28Å; V86-N88 PolarHBondContact O-N 3.13Å; V86-F437 HydrophobicContact CG2-CZ 4.27Å
87	E	79.3	Confident	83.2	Confident	179 Å²	179	76.8 Å²	76.8	84%	0.836	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.9	-179.9	-66.3	151.6	-162.8	0	0	112.8	P85	P85-E87 PolarHBondContact O-N 3.11Å
88	N	79.5	Confident	82.4	Confident	104 Å²	104	83.6 Å²	83.6	56%	0.556	42%	0.423	S	S	*	.	S	Bend	trans	-97.3	155.7	-176.1	-68.9	-29.9	0	0	0	110.9	P85 V86 L90	P85-N88 HydrophobicContact CB-CB 4.33Å; P85-N88 PolarHBondContact O-N 3.17Å; V86-N88 VanDerWaalsContact C-N 3.28Å; V86-N88 PolarHBondContact O-N 3.13Å; N88-L90 PolarHBondContact O-N 3.26Å
89	R	83.7	Confident	81.7	Confident	244 Å²	244	80.3 Å²	80.3	92%	0.921	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-59.9	141.1	169.2	-70.1	-172.8	179.8	-173.9	0.8	109.5
90	L	84	Confident	81.6	Confident	69 Å²	69	81.8 Å²	81.8	36%	0.361	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-56	135.8	175.5	-70.9	167.6	0	0	0	110.2	Y82 A84 N88 F437 T452	Y82-L90 HydrophobicContact CE2-CD2 4.32Å; A84-L90 HydrophobicContact CB-CD2 4.04Å; N88-L90 PolarHBondContact O-N 3.26Å; L90-F437 HydrophobicContact CD2-CB 4.48Å; L90-F437 HydrophobicContact CD2-CD1 3.95Å; L90-F437 HydrophobicContact CD2-CD2 4.06Å; L90-F437 HydrophobicContact CD2-CE1 4.15Å; L90-F437 HydrophobicContact CD2-CE2 4.26Å; L90-F437 HydrophobicContact CD2-CG 3.89Å; L90-F437 HydrophobicContact CD2-CZ 4.29Å; L90-T452 HydrophobicContact CD1-CG2 3.79Å
91	P	82.9	Confident	81.3	Confident	31 Å²	31	80.9 Å²	80.9	20%	0.201	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-61.3	151.2	178.6	23.7	-31.2	0	0	0	110.8	Y82 A84 D95 R96	Y82-P91 HydrophobicContact CE2-CG 4.46Å; A84-P91 HydrophobicContact CB-CG 4.46Å; P91-D95 HydrophobicContact CB-CB 4.09Å; P91-R96 HydrophobicContact CG-CG 4.02Å; P91-R96 PolarHBondContact O-NE 3.46Å; P91-R96 PolarHBondContact O-NH2 3.12Å
92	P	81.5	Confident	81.1	Confident	74 Å²	74	83.9 Å²	83.9	48%	0.481	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-62.5	152.6	173.9	29.7	-34.7	0	0	0	110.1	P94 D95 R96	P92-P94 VanDerWaalsContact C-N 3.35Å; P92-P94 HydrophobicContact CB-CG 4.4Å; P92-P94 VanDerWaalsContact O-N 3.15Å; P92-D95 WeakPolarHBondContact CD-OD2 3.21Å; P92-D95 HydrophobicContact CG-CB 4.34Å; P92-D95 WeakPolarHBondContact CG-OD2 3.44Å; P92-D95 PolarHBondContact O-N 3.05Å; P92-R96 PolarHBondContact O-N 3.23Å
93	I	77.4	Confident	80.9	Confident	118 Å²	118	85 Å²	85	61%	0.605	42%	0.423	S	S	*	.	H	α-helix	trans	-46.8	-42.6	-174.4	-58.4	167	0	0	0	115.1	D95 R96	I93-D95 VanDerWaalsContact C-N 3.33Å; I93-D95 PolarHBondContact O-N 3.29Å; I93-R96 WeakPolarHBondContact O-CB 3.26Å; I93-R96 PolarHBondContact O-N 3.42Å
94	P	76.2	Confident	80.8	Confident	90 Å²	90	83.2 Å²	83.2	58%	0.584	42%	0.416	S	S	*	.	H	α-helix	trans	-58.4	-43.1	176.9	20.8	-33.8	0	0	0	113.1	P92 R96 R97	P92-P94 VanDerWaalsContact C-N 3.35Å; P92-P94 HydrophobicContact CB-CG 4.4Å; P92-P94 VanDerWaalsContact O-N 3.15Å; P94-R96 VanDerWaalsContact C-N 3.31Å; P94-R96 PolarHBondContact O-N 2.99Å; P94-R97 PolarHBondContact O-N 2.93Å
95	D	78.1	Confident	80.9	Confident	81 Å²	81	85 Å²	85	43%	0.433	42%	0.423	S	S	.	.	H	α-helix	trans	-74.5	-23.4	-175.4	-57.9	-9.5	0	0	0	112	P91 P92 I93 R97 E98	P91-D95 HydrophobicContact CB-CB 4.09Å; P92-D95 WeakPolarHBondContact CD-OD2 3.21Å; P92-D95 HydrophobicContact CG-CB 4.34Å; P92-D95 WeakPolarHBondContact CG-OD2 3.44Å; P92-D95 PolarHBondContact O-N 3.05Å; I93-D95 VanDerWaalsContact C-N 3.33Å; I93-D95 PolarHBondContact O-N 3.29Å; D95-R97 PolarHBondContact O-N 3.34Å; D95-E98 PolarHBondContact O-N 3.45Å
96	R	81.4	Confident	81.3	Confident	37 Å²	37	89 Å²	89	14%	0.14	43%	0.432	C	S	.	.	H	α-helix	trans	-59.3	-29.3	175.6	-65.9	177.3	-168.1	-168.7	-5.4	112.6	Y82 P91 P92 I93 P94 E98 S99 L100 D439	Y82-R96 HydrophobicContact CD1-CB 4.31Å; Y82-R96 HydrophobicContact CD2-CB 4.42Å; Y82-R96 HydrophobicContact CD2-CG 4.22Å; Y82-R96 HydrophobicContact CE1-CB 4.46Å; Y82-R96 HydrophobicContact CE1-CG 4.3Å; Y82-R96 HydrophobicContact CE2-CG 3.93Å; Y82-R96 HydrophobicContact CG-CB 4.3Å; Y82-R96 PolarHBondContact OH-NH1 3.48Å; P91-R96 HydrophobicContact CG-CG 4.02Å; P91-R96 PolarHBondContact O-NE 3.46Å; P91-R96 PolarHBondContact O-NH2 3.12Å; P92-R96 PolarHBondContact O-N 3.23Å; I93-R96 WeakPolarHBondContact O-CB 3.26Å; I93-R96 PolarHBondContact O-N 3.42Å; P94-R96 VanDerWaalsContact C-N 3.31Å; P94-R96 PolarHBondContact O-N 2.99Å; R96-E98 VanDerWaalsContact C-N 3.31Å; R96-E98 PolarHBondContact O-N 2.92Å; R96-S99 PolarHBondContact O-N 3.27Å; R96-S99 PolarHBondContact O-OG 3.48Å; R96-L100 PolarHBondContact O-N 3.02Å; R96-D439 VanDerWaalsContact CD-OD2 3.3Å; R96-D439 WeakPolarHBondContact CD-OD2 3.3Å; R96-D439 IonicContact CZ-OD2 2.67Å; R96-D439 IonicContact NE-OD2 2.64Å; R96-D439 IonicContact NH1-OD1 3.61Å; R96-D439 PolarHBondContact NH1-OD1 3.28Å; R96-D439 IonicContact NH1-OD2 2.97Å; R96-D439 PolarHBondContact NH1-OD2 3.36Å
97	R	75.5	Confident	81.8	Confident	195 Å²	195	85 Å²	85	74%	0.736	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-30.9	-179.2	-66.7	-172.7	178.1	-156.2	-0.5	112.5	P94 D95 S99 L100	P94-R97 PolarHBondContact O-N 2.93Å; D95-R97 PolarHBondContact O-N 3.34Å; R97-S99 VanDerWaalsContact C-N 3.34Å; R97-L100 HydrophobicContact CB-CD1 4.37Å
98	E	75	Confident	82.4	Confident	175 Å²	175	77.5 Å²	77.5	82%	0.818	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-27.1	179.7	-59.6	-169.5	166.8	0	0	112.1	D95 R96	D95-E98 PolarHBondContact O-N 3.45Å; R96-E98 VanDerWaalsContact C-N 3.31Å; R96-E98 PolarHBondContact O-N 2.92Å
99	S	75.3	Confident	83	Confident	34 Å²	34	77.2 Å²	77.2	24%	0.238	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.8	178	59.5	0	0	0	0	114.1	Y82 F83 R96 R97 L101	Y82-S99 VanDerWaalsContact CA-O 3.23Å; Y82-S99 WeakPolarHBondContact CA-O 3.25Å; Y82-S99 WeakPolarHBondContact CB-O 3.24Å; F83-S99 PolarHBondContact N-O 2.96Å; F83-S99 VanDerWaalsContact N-O 3.11Å; F83-S99 PolarHBondContact O-OG 3.13Å; R96-S99 PolarHBondContact O-N 3.27Å; R96-S99 PolarHBondContact O-OG 3.48Å; R97-S99 VanDerWaalsContact C-N 3.34Å; S99-L101 PolarHBondContact O-N 2.97Å
100	L	84.6	Confident	83.5	Confident	74 Å²	74	67 Å²	67	39%	0.387	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	130.5	175.6	-76	170.8	0	0	0	111.7	N80 T81 R96 R97	N80-L100 HydrophobicContact CB-CD2 4.28Å; T81-L100 WeakPolarHBondContact O-CA 3.34Å; R96-L100 PolarHBondContact O-N 3.02Å; R97-L100 HydrophobicContact CB-CD1 4.37Å
101	L	82.5	Confident	83.9	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.084	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	101.8	-179.3	-63	150.3	0	0	0	108.3	T81 F83 S99 Y103 Y104 P433 T436	T81-L101 WeakPolarHBondContact O-CB 3.49Å; T81-L101 PolarHBondContact O-N 3.37Å; F83-L101 HydrophobicContact CB-CD1 4.15Å; S99-L101 PolarHBondContact O-N 2.97Å; L101-Y103 HydrophobicContact CB-CE1 4.46Å; L101-Y103 HydrophobicContact CD2-CD1 4.44Å; L101-Y103 HydrophobicContact CD2-CE1 3.64Å; L101-Y104 HydrophobicContact CB-CD1 4.13Å; L101-Y104 HydrophobicContact CB-CE1 3.73Å; L101-Y104 WeakPolarHBondContact O-CE1 3.36Å; L101-P433 HydrophobicContact CD1-CG 3.53Å; L101-P433 HydrophobicContact CD2-CG 3.66Å; L101-P433 HydrophobicContact CG-CG 4.26Å; L101-T436 HydrophobicContact CD1-CG2 3.34Å
102	V	85.4	Confident	84.4	Confident	63 Å²	63	63.8 Å²	63.8	38%	0.382	32%	0.323	S	S	.	.			trans	-100.7	-24.5	-179.2	-177.5	0	0	0	0	112	N80 Y104 Q105	N80-V102 HydrophobicContact CB-CG2 4.45Å; V102-Y104 PolarHBondContact O-N 3.04Å; V102-Q105 PolarHBondContact O-N 3.21Å
103	Y	84.9	Confident	85	Confident	29 Å²	29	62.4 Å²	62.4	11%	0.114	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-34.4	-165.8	70.3	-97.1	0	0	0	114	L101 Q105 W106 A107 F404 F432 N460 L463	L101-Y103 HydrophobicContact CB-CE1 4.46Å; L101-Y103 HydrophobicContact CD2-CD1 4.44Å; L101-Y103 HydrophobicContact CD2-CE1 3.64Å; Y103-Q105 PolarHBondContact O-N 3.23Å; Y103-W106 PolarHBondContact O-N 3.01Å; Y103-A107 PolarHBondContact O-N 3.12Å; Y103-F404 HydrophobicContact CD2-CE1 4.12Å; Y103-F404 HydrophobicContact CD2-CZ 4.46Å; Y103-F404 HydrophobicContact CG-CE1 4.42Å; Y103-F404 WeakPolarHBondContact O-CZ 3.31Å; Y103-F432 HydrophobicContact CE2-CD1 4.23Å; Y103-F432 HydrophobicContact CE2-CE1 4.13Å; Y103-F432 WeakPolarHBondContact OH-CA 3.3Å; Y103-N460 PolarHBondContact OH-ND2 3.17Å; Y103-N460 PolarHBondContact OH-OD1 3.24Å; Y103-L463 HydrophobicContact CE2-CD1 4.3Å
104	Y	83.9	Confident	85.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-27.8	-173.2	57.6	-103.4	0	0	0	113.2	W77 N80 T81 L101 V102 L457	W77-Y104 HydrophobicContact CD2-CE2 4.33Å; W77-Y104 HydrophobicContact CE3-CD2 4.16Å; W77-Y104 AromaticContact CE3-CE2 3.71Å; W77-Y104 HydrophobicContact CE3-CE2 3.71Å; W77-Y104 AromaticContact CH2-CD2 3.41Å; W77-Y104 HydrophobicContact CH2-CD2 3.41Å; W77-Y104 VanDerWaalsContact CH2-CD2 3.41Å; W77-Y104 AromaticContact CH2-CE2 3.81Å; W77-Y104 HydrophobicContact CH2-CE2 3.81Å; W77-Y104 HydrophobicContact CZ2-CD2 4.16Å; W77-Y104 HydrophobicContact CZ2-CE2 4.39Å; W77-Y104 AromaticContact CZ3-CD2 3.4Å; W77-Y104 HydrophobicContact CZ3-CD2 3.4Å; W77-Y104 VanDerWaalsContact CZ3-CD2 3.4Å; W77-Y104 AromaticContact CZ3-CE2 3.43Å; W77-Y104 HydrophobicContact CZ3-CE2 3.43Å; W77-Y104 VanDerWaalsContact CZ3-CE2 3.43Å; W77-Y104 HydrophobicContact CZ3-CG 4.5Å; N80-Y104 WeakPolarHBondContact CA-OH 3.47Å; T81-Y104 PolarHBondContact N-OH 3.31Å; L101-Y104 HydrophobicContact CB-CD1 4.13Å; L101-Y104 HydrophobicContact CB-CE1 3.73Å; L101-Y104 WeakPolarHBondContact O-CE1 3.36Å; V102-Y104 PolarHBondContact O-N 3.04Å; Y104-L457 HydrophobicContact CD1-CD2 3.6Å; Y104-L457 HydrophobicContact CD2-CD2 4.34Å; Y104-L457 HydrophobicContact CE1-CD2 3.65Å; Y104-L457 HydrophobicContact CE2-CD2 4.41Å; Y104-L457 HydrophobicContact CG-CD2 3.96Å
105	Q	86.8	Confident	86.6	Confident	43 Å²	43	52.7 Å²	52.7	20%	0.201	26%	0.262	C	S	.	.	H	α-helix	trans	-70	-36.3	174.9	-60.3	178	-12.5	0	0	111.6	W77 V78 N80 V102 Y103	W77-Q105 PolarHBondContact O-NE2 3.43Å; V78-Q105 PolarHBondContact O-NE2 2.94Å; N80-Q105 VanDerWaalsContact OD1-CD 3.29Å; N80-Q105 PolarHBondContact OD1-NE2 3.3Å; N80-Q105 VanDerWaalsContact OD1-NE2 3.12Å; N80-Q105 PolarHBondContact OD1-OE1 3.29Å; V102-Q105 PolarHBondContact O-N 3.21Å; Y103-Q105 PolarHBondContact O-N 3.23Å
106	W	90.5	Very high	87.3	Confident	129 Å²	129	54.1 Å²	54.1	49%	0.489	27%	0.27	S	S	.	.	H	α-helix	trans	-90.4	-11.3	-174.4	-70	92.7	0	0	0	113.7	Y103 I109 V110 F404	Y103-W106 PolarHBondContact O-N 3.01Å; W106-I109 HydrophobicContact CE3-CB 4.3Å; W106-I109 HydrophobicContact CE3-CD1 3.66Å; W106-I109 HydrophobicContact CE3-CG2 4.28Å; W106-I109 HydrophobicContact CZ3-CD1 3.76Å; W106-I109 HydrophobicContact CZ3-CG2 4.49Å; W106-I109 PolarHBondContact O-N 2.7Å; W106-V110 HydrophobicContact CB-CG2 4.41Å; W106-V110 PolarHBondContact O-N 3.24Å; W106-F404 HydrophobicContact CB-CE2 4.15Å
107	A	90.4	Very high	88	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-51.5	-45.6	-175.1	0	0	0	0	0	114.4	Y103 I109 V110 M111 F404 L463	Y103-A107 PolarHBondContact O-N 3.12Å; A107-I109 PolarHBondContact O-N 2.91Å; A107-V110 PolarHBondContact O-N 3.31Å; A107-M111 WeakPolarHBondContact O-CG 3.43Å; A107-M111 PolarHBondContact O-N 2.79Å; A107-F404 HydrophobicContact CB-CE1 4.33Å; A107-F404 HydrophobicContact CB-CZ 4.06Å; A107-L463 HydrophobicContact CB-CD1 4.13Å; A107-L463 HydrophobicContact CB-CD2 3.87Å
108	P	91.8	Very high	88.9	Confident	22 Å²	22	46 Å²	46	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-40.2	176.8	-18.3	28.9	0	0	0	113.3	I43 I46 M111 A112	I43-P108 HydrophobicContact CG2-CB 4.49Å; I46-P108 HydrophobicContact CG2-CG 3.78Å; P108-M111 PolarHBondContact O-N 3.12Å; P108-A112 WeakPolarHBondContact O-CB 3.23Å; P108-A112 PolarHBondContact O-N 3.25Å
109	I	91.9	Very high	89.6	Confident	97 Å²	97	41.6 Å²	41.6	50%	0.497	22%	0.22	S	C	.	.	H	α-helix	trans	-68.2	-44	-178.5	-62.6	171.9	0	0	0	109.7	W106 A107 A112 A113	W106-I109 HydrophobicContact CE3-CB 4.3Å; W106-I109 HydrophobicContact CE3-CD1 3.66Å; W106-I109 HydrophobicContact CE3-CG2 4.28Å; W106-I109 HydrophobicContact CZ3-CD1 3.76Å; W106-I109 HydrophobicContact CZ3-CG2 4.49Å; W106-I109 PolarHBondContact O-N 2.7Å; A107-I109 PolarHBondContact O-N 2.91Å; I109-A112 WeakPolarHBondContact O-CB 3.26Å; I109-A112 PolarHBondContact O-N 3.39Å; I109-A113 PolarHBondContact O-N 3.38Å
110	V	92.9	Very high	90.4	Very high	29 Å²	29	43.9 Å²	43.9	18%	0.176	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-49.9	176.1	172.5	0	0	0	0	110	W106 A107 A112 A113 Q114 L400 F404	W106-V110 HydrophobicContact CB-CG2 4.41Å; W106-V110 PolarHBondContact O-N 3.24Å; A107-V110 PolarHBondContact O-N 3.31Å; V110-A112 VanDerWaalsContact C-N 3.25Å; V110-A112 PolarHBondContact O-N 2.93Å; V110-A113 CarbonylContact O-C 3.54Å; V110-A113 WeakPolarHBondContact O-CA 3.18Å; V110-A113 WeakPolarHBondContact O-CB 3.23Å; V110-A113 PolarHBondContact O-N 3.26Å; V110-Q114 HydrophobicContact CG1-CG 4.28Å; V110-Q114 VanDerWaalsContact O-CG 3.29Å; V110-Q114 WeakPolarHBondContact O-CG 3.16Å; V110-Q114 PolarHBondContact O-N 3.5Å; V110-L400 HydrophobicContact CG1-CD2 3.74Å; V110-F404 HydrophobicContact CB-CD2 4.38Å; V110-F404 HydrophobicContact CB-CE2 4.11Å; V110-F404 HydrophobicContact CB-CZ 4.44Å; V110-F404 HydrophobicContact CG1-CD2 4.22Å; V110-F404 HydrophobicContact CG1-CE2 4.41Å; V110-F404 HydrophobicContact CG1-CG 4.43Å; V110-F404 HydrophobicContact CG2-CD2 3.82Å; V110-F404 HydrophobicContact CG2-CE2 3.52Å; V110-F404 HydrophobicContact CG2-CZ 4.27Å
111	M	94	Very high	90.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-36.5	176.5	-72.9	-174.4	-172.8	0	0	112.8	F42 I43 I46 A107 P108 Q114 A115 I466 Y467 L470	F42-M111 HydrophobicContact CB-SD 4.04Å; I43-M111 HydrophobicContact CD1-CB 3.93Å; I43-M111 HydrophobicContact CG1-CB 3.6Å; I46-M111 HydrophobicContact CD1-CE 3.65Å; I46-M111 HydrophobicContact CD1-SD 3.48Å; I46-M111 WeakPolarHBondContact CD1-SD 3.31Å; A107-M111 WeakPolarHBondContact O-CG 3.43Å; A107-M111 PolarHBondContact O-N 2.79Å; P108-M111 PolarHBondContact O-N 3.12Å; M111-Q114 PolarHBondContact O-N 2.97Å; M111-A115 WeakPolarHBondContact O-CB 3.38Å; M111-A115 PolarHBondContact O-N 3.31Å; M111-I466 HydrophobicContact CE-CG2 3.61Å; M111-I466 HydrophobicContact SD-CG2 4.46Å; M111-Y467 HydrophobicContact CE-CD2 4.48Å; M111-Y467 HydrophobicContact CE-CE1 4.17Å; M111-Y467 HydrophobicContact CE-CE2 3.87Å; M111-L470 HydrophobicContact CE-CD1 4.02Å
112	A	92.7	Very high	91.3	Very high	33 Å²	33	40.2 Å²	40.2	27%	0.273	21%	0.211	S	C	.	.	H	α-helix	trans	-64.7	-42.9	174.6	0	0	0	0	0	111.6	I43 P108 I109 V110 A115 L116	I43-A112 HydrophobicContact CD1-CB 3.93Å; P108-A112 WeakPolarHBondContact O-CB 3.23Å; P108-A112 PolarHBondContact O-N 3.25Å; I109-A112 WeakPolarHBondContact O-CB 3.26Å; I109-A112 PolarHBondContact O-N 3.39Å; V110-A112 VanDerWaalsContact C-N 3.25Å; V110-A112 PolarHBondContact O-N 2.93Å; A112-A115 PolarHBondContact O-N 2.92Å; A112-L116 WeakPolarHBondContact O-CG 3.48Å; A112-L116 PolarHBondContact O-N 3.21Å
113	A	93.4	Very high	91.4	Very high	46 Å²	46	40.1 Å²	40.1	38%	0.38	21%	0.208	S	C	.	.	H	α-helix	trans	-62.5	-42.1	173.6	0	0	0	0	0	111.7	I109 V110 A115 L116 L117	I109-A113 PolarHBondContact O-N 3.38Å; V110-A113 CarbonylContact O-C 3.54Å; V110-A113 WeakPolarHBondContact O-CA 3.18Å; V110-A113 WeakPolarHBondContact O-CB 3.23Å; V110-A113 PolarHBondContact O-N 3.26Å; A113-A115 VanDerWaalsContact C-N 3.33Å; A113-A115 PolarHBondContact O-N 2.97Å; A113-L116 PolarHBondContact O-N 3.02Å; A113-L117 VanDerWaalsContact O-CG 3.31Å; A113-L117 WeakPolarHBondContact O-CG 3.27Å; A113-L117 PolarHBondContact O-N 3.43Å
114	Q	94.7	Very high	91.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-43.8	174.3	-60.9	-173.4	-68.8	0	0	111.3	L39 V110 M111 L116 L117 F118 Q397 L400	L39-Q114 HydrophobicContact CD1-CB 4.03Å; V110-Q114 HydrophobicContact CG1-CG 4.28Å; V110-Q114 VanDerWaalsContact O-CG 3.29Å; V110-Q114 WeakPolarHBondContact O-CG 3.16Å; V110-Q114 PolarHBondContact O-N 3.5Å; M111-Q114 PolarHBondContact O-N 2.97Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 3.47Å; Q114-L117 PolarHBondContact O-N 2.94Å; Q114-F118 VanDerWaalsContact O-CD2 3.3Å; Q114-F118 WeakPolarHBondContact O-CD2 3.46Å; Q114-F118 PolarHBondContact O-N 3.32Å; Q114-F118 VanDerWaalsContact O-N 3.11Å; Q114-Q397 VanDerWaalsContact NE2-OE1 3.08Å; Q114-L400 HydrophobicContact CG-CD2 4.09Å
115	A	93.8	Very high	92.1	Very high	2 Å²	2	43 Å²	43	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-39.2	178.4	0	0	0	0	0	112.3	S36 L39 F40 M111 A112 A113 Y119	S36-A115 PolarHBondContact OG-O 3.5Å; S36-A115 VanDerWaalsContact OG-O 3.14Å; L39-A115 HydrophobicContact CB-CB 3.92Å; L39-A115 HydrophobicContact CD1-CB 3.9Å; F40-A115 HydrophobicContact CE2-CB 4.28Å; F40-A115 HydrophobicContact CZ-CB 4.37Å; M111-A115 WeakPolarHBondContact O-CB 3.38Å; M111-A115 PolarHBondContact O-N 3.31Å; A112-A115 PolarHBondContact O-N 2.92Å; A113-A115 VanDerWaalsContact C-N 3.33Å; A113-A115 PolarHBondContact O-N 2.97Å; A115-Y119 PolarHBondContact O-N 2.9Å
116	L	92.3	Very high	92.1	Very high	112 Å²	112	44 Å²	44	59%	0.586	23%	0.226	S	C	*	.	H	α-helix	trans	-65.1	-44	174.2	-72	173.5	0	0	0	111.9	A112 A113 Q114 F118 Y119 L120	A112-L116 WeakPolarHBondContact O-CG 3.48Å; A112-L116 PolarHBondContact O-N 3.21Å; A113-L116 PolarHBondContact O-N 3.02Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 3.47Å; L116-F118 VanDerWaalsContact C-N 3.29Å; L116-F118 PolarHBondContact O-N 3.43Å; L116-Y119 WeakPolarHBondContact O-CA 3.45Å; L116-Y119 WeakPolarHBondContact O-CB 3.48Å; L116-Y119 PolarHBondContact O-N 3.3Å; L116-L120 PolarHBondContact O-N 3Å; L116-L120 VanDerWaalsContact O-N 3.07Å
117	L	94.8	Very high	91.9	Very high	62 Å²	62	43.3 Å²	43.3	33%	0.325	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-35.4	178.9	-72.2	171.7	0	0	0	112.3	A113 Q114 Y119 L120 P121 N393 Q397 L400	A113-L117 VanDerWaalsContact O-CG 3.31Å; A113-L117 WeakPolarHBondContact O-CG 3.27Å; A113-L117 PolarHBondContact O-N 3.43Å; Q114-L117 PolarHBondContact O-N 2.94Å; L117-Y119 VanDerWaalsContact C-N 3.29Å; L117-Y119 PolarHBondContact O-N 2.97Å; L117-L120 HydrophobicContact CD2-CD1 3.82Å; L117-L120 PolarHBondContact O-N 3.41Å; L117-P121 VanDerWaalsContact O-CD 3.3Å; L117-P121 WeakPolarHBondContact O-CD 3.47Å; L117-N393 WeakPolarHBondContact CB-OD1 3.41Å; L117-N393 PolarHBondContact O-ND2 3.3Å; L117-Q397 VanDerWaalsContact CB-NE2 3.25Å; L117-L400 HydrophobicContact CD1-CD1 4.49Å
118	F	94.5	Very high	91.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-25.5	170.9	-83.7	-69.9	0	0	0	114.5	N31 T35 L39 Q114 L116 N393 V394 Q397 H474	N31-F118 HydrophobicContact CB-CD1 4.06Å; T35-F118 HydrophobicContact CG2-CD1 4.36Å; T35-F118 HydrophobicContact CG2-CD2 3.71Å; T35-F118 HydrophobicContact CG2-CE1 4.27Å; T35-F118 HydrophobicContact CG2-CE2 3.58Å; T35-F118 HydrophobicContact CG2-CG 4.11Å; T35-F118 HydrophobicContact CG2-CZ 3.88Å; L39-F118 HydrophobicContact CD1-CD2 4.02Å; L39-F118 HydrophobicContact CD1-CE2 4.35Å; Q114-F118 VanDerWaalsContact O-CD2 3.3Å; Q114-F118 WeakPolarHBondContact O-CD2 3.46Å; Q114-F118 PolarHBondContact O-N 3.32Å; Q114-F118 VanDerWaalsContact O-N 3.11Å; L116-F118 VanDerWaalsContact C-N 3.29Å; L116-F118 PolarHBondContact O-N 3.43Å; F118-N393 WeakPolarHBondContact CA-ND2 3.23Å; F118-N393 WeakPolarHBondContact CD1-ND2 3.23Å; F118-V394 HydrophobicContact CE1-CB 4.24Å; F118-V394 HydrophobicContact CE1-CG2 4.44Å; F118-V394 HydrophobicContact CZ-CB 4.46Å; F118-V394 HydrophobicContact CZ-CG2 4.33Å; F118-Q397 HydrophobicContact CD2-CG 4.43Å; F118-Q397 HydrophobicContact CE2-CB 4.49Å; F118-Q397 HydrophobicContact CE2-CG 3.64Å; F118-Q397 HydrophobicContact CZ-CB 4.45Å; F118-Q397 HydrophobicContact CZ-CG 3.78Å; F118-H474 AromaticContact CE2-CD2 3.86Å; F118-H474 AromaticContact CE2-NE2 3.38Å; F118-H474 WeakPolarHBondContact CE2-NE2 3.25Å; F118-H474 AromaticContact CZ-CD2 3.55Å; F118-H474 AromaticContact CZ-NE2 3.6Å
119	Y	91	Very high	91.5	Very high	81 Å²	81	44 Å²	44	32%	0.318	24%	0.235	S	C	.	.	H	α-helix	trans	-82.7	-28.4	176.6	-177.9	-103.9	0	0	0	113.1	A115 L116 L117 C122 L123 R126	A115-Y119 PolarHBondContact O-N 2.9Å; L116-Y119 WeakPolarHBondContact O-CA 3.45Å; L116-Y119 WeakPolarHBondContact O-CB 3.48Å; L116-Y119 PolarHBondContact O-N 3.3Å; L117-Y119 VanDerWaalsContact C-N 3.29Å; L117-Y119 PolarHBondContact O-N 2.97Å; Y119-C122 VanDerWaalsContact O-CB 3.28Å; Y119-C122 WeakPolarHBondContact O-CB 3.4Å; Y119-C122 PolarHBondContact O-N 3.35Å; Y119-L123 HydrophobicContact CD1-CB 4.36Å; Y119-L123 HydrophobicContact CE1-CB 4.02Å; Y119-L123 HydrophobicContact CE1-CD1 4.48Å; Y119-L123 PolarHBondContact O-N 3.1Å; Y119-L123 VanDerWaalsContact O-N 3.1Å; Y119-R126 PolarHBondContact OH-NH1 3.14Å
120	L	91.9	Very high	91.1	Very high	83 Å²	83	43.2 Å²	43.2	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-55.2	-44.6	-174.1	-73.8	-178	0	0	0	115.1	L116 L117 C122 L123 L124	L116-L120 PolarHBondContact O-N 3Å; L116-L120 VanDerWaalsContact O-N 3.07Å; L117-L120 HydrophobicContact CD2-CD1 3.82Å; L117-L120 PolarHBondContact O-N 3.41Å; L120-C122 VanDerWaalsContact C-N 3.25Å; L120-C122 PolarHBondContact O-N 3.27Å; L120-L123 HydrophobicContact CD2-CD2 4.45Å; L120-L123 WeakPolarHBondContact O-CB 3.34Å; L120-L123 PolarHBondContact O-N 3.3Å; L120-L123 VanDerWaalsContact O-N 3.12Å; L120-L124 PolarHBondContact O-N 2.93Å
121	P	93.9	Very high	90.6	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.032	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-32.7	178	-22.9	33.9	0	0	0	112.9	L117 L124 W125 V386 Y390	L117-P121 VanDerWaalsContact O-CD 3.3Å; L117-P121 WeakPolarHBondContact O-CD 3.47Å; P121-L124 WeakPolarHBondContact O-CB 3.42Å; P121-L124 PolarHBondContact O-N 3.34Å; P121-W125 PolarHBondContact O-N 2.83Å; P121-V386 HydrophobicContact CB-CG1 4.14Å; P121-Y390 HydrophobicContact CB-CD1 3.82Å; P121-Y390 HydrophobicContact CB-CD2 4.11Å; P121-Y390 HydrophobicContact CB-CE1 3.65Å; P121-Y390 HydrophobicContact CB-CE2 3.96Å; P121-Y390 HydrophobicContact CB-CG 4.05Å; P121-Y390 HydrophobicContact CG-CD1 3.77Å; P121-Y390 HydrophobicContact CG-CE1 3.85Å; P121-Y390 HydrophobicContact CG-CG 4.28Å
122	C	91	Very high	90	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.054	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-42.7	173.9	-168.4	0	0	0	0	111.1	Y32 Y119 L120 L124 W125 R126 Y390	Y32-C122 HydrophobicContact CD1-CB 4.09Å; Y32-C122 HydrophobicContact CD2-CB 4.46Å; Y32-C122 HydrophobicContact CG-CB 3.87Å; Y119-C122 VanDerWaalsContact O-CB 3.28Å; Y119-C122 WeakPolarHBondContact O-CB 3.4Å; Y119-C122 PolarHBondContact O-N 3.35Å; L120-C122 VanDerWaalsContact C-N 3.25Å; L120-C122 PolarHBondContact O-N 3.27Å; C122-L124 VanDerWaalsContact C-N 3.33Å; C122-L124 PolarHBondContact O-N 3.42Å; C122-W125 WeakPolarHBondContact O-CB 3.4Å; C122-W125 PolarHBondContact O-N 3.34Å; C122-R126 VanDerWaalsContact O-CG 3.31Å; C122-R126 WeakPolarHBondContact O-CG 3.38Å; C122-R126 PolarHBondContact O-N 3.48Å; C122-R126 VanDerWaalsContact SG-CZ 3.59Å; C122-R126 PolarHBondContact SG-NE 2.96Å; C122-R126 VanDerWaalsContact SG-NE 3.36Å; C122-R126 PolarHBondContact SG-NH2 2.92Å; C122-Y390 WeakPolarHBondContact CB-OH 3.46Å; C122-Y390 PolarHBondContact N-OH 2.87Å
123	L	89	Confident	89.4	Confident	61 Å²	61	47.3 Å²	47.3	32%	0.319	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-43.2	175.7	-178.4	62.7	0	0	0	111.3	Y119 L120 W125 R126 L127	Y119-L123 HydrophobicContact CD1-CB 4.36Å; Y119-L123 HydrophobicContact CE1-CB 4.02Å; Y119-L123 HydrophobicContact CE1-CD1 4.48Å; Y119-L123 PolarHBondContact O-N 3.1Å; Y119-L123 VanDerWaalsContact O-N 3.1Å; L120-L123 HydrophobicContact CD2-CD2 4.45Å; L120-L123 WeakPolarHBondContact O-CB 3.34Å; L120-L123 PolarHBondContact O-N 3.3Å; L120-L123 VanDerWaalsContact O-N 3.12Å; L123-W125 PolarHBondContact O-N 2.89Å; L123-R126 PolarHBondContact O-N 2.66Å; L123-L127 HydrophobicContact CD1-CD1 3.98Å; L123-L127 HydrophobicContact CD1-CG 4.09Å; L123-L127 HydrophobicContact CG-CD1 3.88Å; L123-L127 HydrophobicContact CG-CG 4.36Å; L123-L127 WeakPolarHBondContact O-CB 3.27Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 3.07Å
124	L	89.8	Confident	89.1	Confident	81 Å²	81	45.5 Å²	45.5	42%	0.424	25%	0.248	S	C	.	.	H	α-helix	trans	-58.1	-46	174.6	-92.9	164.5	0	0	0	112.2	L120 P121 C122 R126 G128 F385	L120-L124 PolarHBondContact O-N 2.93Å; P121-L124 WeakPolarHBondContact O-CB 3.42Å; P121-L124 PolarHBondContact O-N 3.34Å; C122-L124 VanDerWaalsContact C-N 3.33Å; C122-L124 PolarHBondContact O-N 3.42Å; L124-R126 PolarHBondContact O-N 2.84Å; L124-G128 PolarHBondContact O-N 3.4Å; L124-F385 HydrophobicContact CD1-CE1 4.28Å
125	W	92.2	Very high	88.7	Confident	8 Å²	8	49.2 Å²	49.2	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-56.3	-50	174.9	172.3	-114.7	0	0	0	111.6	D23 P121 C122 L123 L127 G128 M129 L136 L379 L382 Y383 V386 F552	D23-W125 PolarHBondContact OD2-NE1 3.28Å; P121-W125 PolarHBondContact O-N 2.83Å; C122-W125 WeakPolarHBondContact O-CB 3.4Å; C122-W125 PolarHBondContact O-N 3.34Å; L123-W125 PolarHBondContact O-N 2.89Å; W125-L127 PolarHBondContact O-N 3.34Å; W125-G128 PolarHBondContact O-N 2.96Å; W125-M129 WeakPolarHBondContact O-CB 3.18Å; W125-M129 WeakPolarHBondContact O-CG 3.41Å; W125-M129 PolarHBondContact O-N 2.9Å; W125-L136 HydrophobicContact CH2-CD2 4.02Å; W125-L136 HydrophobicContact CZ2-CD2 3.5Å; W125-L379 HydrophobicContact CH2-CD1 3.58Å; W125-L379 HydrophobicContact CH2-CG 4.19Å; W125-L379 HydrophobicContact CZ3-CD1 3.93Å; W125-L382 HydrophobicContact CE3-CD2 3.85Å; W125-L382 HydrophobicContact CE3-CG 3.98Å; W125-L382 HydrophobicContact CZ3-CD2 4Å; W125-L382 HydrophobicContact CZ3-CG 4.19Å; W125-Y383 HydrophobicContact CD2-CD2 4.31Å; W125-Y383 AromaticContact CE3-CD2 3.95Å; W125-Y383 HydrophobicContact CE3-CD2 3.95Å; W125-Y383 AromaticContact CH2-CD2 3.65Å; W125-Y383 HydrophobicContact CH2-CD2 3.65Å; W125-Y383 HydrophobicContact CH2-CG 4.28Å; W125-Y383 HydrophobicContact CZ2-CD2 4.02Å; W125-Y383 AromaticContact CZ3-CD2 3.64Å; W125-Y383 HydrophobicContact CZ3-CD2 3.64Å; W125-Y383 HydrophobicContact CZ3-CG 4.11Å; W125-V386 HydrophobicContact CB-CG1 4.24Å; W125-V386 HydrophobicContact CB-CG2 3.83Å; W125-V386 HydrophobicContact CE3-CG2 4.4Å; W125-F552 AromaticContact CH2-CE1 3.92Å; W125-F552 HydrophobicContact CH2-CE1 3.92Å; W125-F552 HydrophobicContact CH2-CZ 4.06Å
126	R	87.7	Confident	88.5	Confident	65 Å²	65	49.3 Å²	49.3	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-41.7	-177.4	-69.3	175	-170.2	-176.8	7.5	113.6	L20 Y119 C122 L123 L124 M129	L20-R126 VanDerWaalsContact CD2-NE 3.29Å; L20-R126 VanDerWaalsContact CD2-NH2 3.32Å; Y119-R126 PolarHBondContact OH-NH1 3.14Å; C122-R126 VanDerWaalsContact O-CG 3.31Å; C122-R126 WeakPolarHBondContact O-CG 3.38Å; C122-R126 PolarHBondContact O-N 3.48Å; C122-R126 VanDerWaalsContact SG-CZ 3.59Å; C122-R126 PolarHBondContact SG-NE 2.96Å; C122-R126 VanDerWaalsContact SG-NE 3.36Å; C122-R126 PolarHBondContact SG-NH2 2.92Å; L123-R126 PolarHBondContact O-N 2.66Å; L124-R126 PolarHBondContact O-N 2.84Å; R126-M129 VanDerWaalsContact O-CG 3.27Å; R126-M129 WeakPolarHBondContact O-CG 3.32Å
127	L	87.2	Confident	88.3	Confident	114 Å²	114	47.3 Å²	47.3	60%	0.597	26%	0.255	S	S	*	.	H	α-helix	trans	-71.3	-38.4	177.5	-66.1	175.3	0	0	0	110.9	L123 W125	L123-L127 HydrophobicContact CD1-CD1 3.98Å; L123-L127 HydrophobicContact CD1-CG 4.09Å; L123-L127 HydrophobicContact CG-CD1 3.88Å; L123-L127 HydrophobicContact CG-CG 4.36Å; L123-L127 WeakPolarHBondContact O-CB 3.27Å; L123-L127 WeakPolarHBondContact O-CG 3.46Å; L123-L127 PolarHBondContact O-N 3.07Å; W125-L127 PolarHBondContact O-N 3.34Å
128	G	86.9	Confident	88	Confident	9 Å²	9	50.1 Å²	50.1	9%	0.093	26%	0.261	C	S	.	.	H	α-helix	trans	-74.5	-38.3	-177.8	0	0	0	0	0	113.9	L124 W125 A130 H131 Y378	L124-G128 PolarHBondContact O-N 3.4Å; W125-G128 PolarHBondContact O-N 2.96Å; G128-A130 VanDerWaalsContact C-N 3.26Å; G128-A130 PolarHBondContact O-N 3.25Å; G128-H131 PolarHBondContact O-N 3.47Å; G128-Y378 WeakPolarHBondContact CA-OH 3.01Å; G128-Y378 VanDerWaalsContact O-CE1 3.25Å; G128-Y378 WeakPolarHBondContact O-CE1 3.19Å; G128-Y378 PolarHBondContact O-OH 3.09Å
129	M	86.8	Confident	87.8	Confident	27 Å²	27	50.1 Å²	50.1	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-31.2	-173.9	59.5	-173.3	-84.9	0	0	113.2	W125 R126 H131 S132 L136 L379	W125-M129 WeakPolarHBondContact O-CB 3.18Å; W125-M129 WeakPolarHBondContact O-CG 3.41Å; W125-M129 PolarHBondContact O-N 2.9Å; R126-M129 VanDerWaalsContact O-CG 3.27Å; R126-M129 WeakPolarHBondContact O-CG 3.32Å; M129-H131 PolarHBondContact O-N 3.22Å; M129-H131 VanDerWaalsContact O-N 3.13Å; M129-S132 WeakPolarHBondContact O-CB 3.32Å; M129-S132 PolarHBondContact O-N 3.06Å; M129-S132 PolarHBondContact O-OG 3.24Å; M129-L136 HydrophobicContact CE-CB 4.2Å; M129-L136 HydrophobicContact CE-CD2 4.29Å; M129-L379 HydrophobicContact CB-CD1 4.44Å
130	A	82.3	Confident	87.8	Confident	80 Å²	80	46.4 Å²	46.4	66%	0.661	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.1	175.8	0	0	0	0	0	112.7	G128	G128-A130 VanDerWaalsContact C-N 3.26Å; G128-A130 PolarHBondContact O-N 3.25Å
131	H	83	Confident	87.6	Confident	112 Å²	112	45.5 Å²	45.5	52%	0.519	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.4	179	-65.4	-60.3	0	0	0	114	G128 M129 G133 K373 Y378	G128-H131 PolarHBondContact O-N 3.47Å; M129-H131 PolarHBondContact O-N 3.22Å; M129-H131 VanDerWaalsContact O-N 3.13Å; H131-G133 PolarHBondContact O-N 3.34Å; H131-G133 VanDerWaalsContact O-N 3.11Å; H131-K373 WeakPolarHBondContact O-CE 3.31Å; H131-K373 PolarHBondContact O-NZ 3.18Å; H131-Y378 HydrophobicContact CB-CE1 4.15Å
132	S	80.7	Confident	87.4	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.014	25%	0.246	C	C	.	.	S	Bend	trans	-64.8	-19.2	-174.6	65.7	0	0	0	0	115	M129 F134 Q172 Y378	M129-S132 WeakPolarHBondContact O-CB 3.32Å; M129-S132 PolarHBondContact O-N 3.06Å; M129-S132 PolarHBondContact O-OG 3.24Å; S132-F134 PolarHBondContact O-N 3.45Å; S132-F134 PolarHBondContact OG-N 3.25Å; S132-F134 PolarHBondContact OG-O 2.98Å; S132-Q172 PolarHBondContact O-NE2 3.16Å; S132-Y378 VanDerWaalsContact CA-CD1 3.48Å
133	G	81.5	Confident	87.4	Confident	35 Å²	35	46.2 Å²	46.2	36%	0.361	24%	0.243	S	C	.	.	S	Bend	trans	81.1	-7.4	-172.5	0	0	0	0	0	113.5	H131 R171	H131-G133 PolarHBondContact O-N 3.34Å; H131-G133 VanDerWaalsContact O-N 3.11Å; G133-R171 PolarHBondContact O-NH2 3.31Å
134	F	85.3	Confident	87.4	Confident	7 Å²	7	43.8 Å²	43.8	3%	0.031	23%	0.232	C	C	.	.	S	Bend	trans	-94.2	135.4	162.9	-68.4	-84.1	0	0	0	108.9	S132 L136 I139 C168 I169 Q172 D549 I553	S132-F134 PolarHBondContact O-N 3.45Å; S132-F134 PolarHBondContact OG-N 3.25Å; S132-F134 PolarHBondContact OG-O 2.98Å; F134-L136 PolarHBondContact O-N 2.63Å; F134-I139 HydrophobicContact CB-CD1 4.36Å; F134-I139 HydrophobicContact CD1-CD1 4.09Å; F134-C168 HydrophobicContact CD1-CB 3.56Å; F134-C168 HydrophobicContact CE1-CB 3.36Å; F134-C168 HydrophobicContact CZ-CB 4.26Å; F134-I169 HydrophobicContact CZ-CG1 4.4Å; F134-Q172 VanDerWaalsContact CE2-OE1 3.29Å; F134-D549 HydrophobicContact CD2-CB 4.49Å; F134-D549 HydrophobicContact CE2-CB 3.83Å; F134-I553 HydrophobicContact CB-CD1 4.18Å; F134-I553 HydrophobicContact CD1-CD1 3.72Å; F134-I553 HydrophobicContact CD2-CD1 4.07Å; F134-I553 HydrophobicContact CE1-CD1 4.04Å; F134-I553 HydrophobicContact CE2-CD1 4.33Å; F134-I553 HydrophobicContact CG-CD1 3.74Å; F134-I553 HydrophobicContact CZ-CD1 4.34Å
135	N	87.9	Confident	87.3	Confident	80 Å²	80	44.2 Å²	44.2	43%	0.428	23%	0.232	S	C	.	.			trans	-83.2	78.7	165	-167.6	-31.8	0	0	0	108.1	H137 R138 I139 Y164	N135-H137 PolarHBondContact O-N 2.98Å; N135-R138 HydrophobicContact CB-CB 4.06Å; N135-R138 PolarHBondContact O-N 3.2Å; N135-R138 VanDerWaalsContact O-N 3.11Å; N135-R138 PolarHBondContact OD1-N 3.05Å; N135-R138 VanDerWaalsContact OD1-N 3.09Å; N135-I139 WeakPolarHBondContact O-CG1 3.36Å; N135-I139 PolarHBondContact O-N 3.42Å; N135-I139 VanDerWaalsContact O-N 3.09Å; N135-Y164 VanDerWaalsContact CB-OH 3.31Å; N135-Y164 WeakPolarHBondContact CB-OH 3.43Å
136	L	89	Confident	87.1	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-39	-175.3	-176.4	65.6	0	0	0	111.5	D23 W125 M129 F134 R138 I139 L140 L379 I553 L556	D23-L136 HydrophobicContact CB-CD2 4.24Å; W125-L136 HydrophobicContact CH2-CD2 4.02Å; W125-L136 HydrophobicContact CZ2-CD2 3.5Å; M129-L136 HydrophobicContact CE-CB 4.2Å; M129-L136 HydrophobicContact CE-CD2 4.29Å; F134-L136 PolarHBondContact O-N 2.63Å; L136-R138 PolarHBondContact O-N 3.23Å; L136-I139 PolarHBondContact O-N 3.27Å; L136-L140 HydrophobicContact CD1-CD1 3.76Å; L136-L140 HydrophobicContact CD1-CG 4Å; L136-L140 HydrophobicContact CD2-CD1 4.16Å; L136-L140 HydrophobicContact CG-CD1 3.58Å; L136-L140 HydrophobicContact CG-CG 4.24Å; L136-L140 WeakPolarHBondContact O-CB 3.13Å; L136-L140 WeakPolarHBondContact O-CG 3.5Å; L136-L140 PolarHBondContact O-N 3.43Å; L136-L379 HydrophobicContact CD1-CD2 4.44Å; L136-L379 HydrophobicContact CD2-CD1 4.35Å; L136-I553 HydrophobicContact CD1-CD1 4.42Å; L136-I553 HydrophobicContact CD1-CG1 3.88Å; L136-L556 HydrophobicContact CD1-CD1 4.19Å; L136-L556 HydrophobicContact CD2-CD1 4.18Å
137	H	87.7	Confident	87	Confident	71 Å²	71	45.2 Å²	45.2	33%	0.329	24%	0.243	S	C	.	.	H	α-helix	trans	-56.7	-49.4	176	-177.5	60.8	0	0	0	111.8	N135 I139 L140 Q141	N135-H137 PolarHBondContact O-N 2.98Å; H137-I139 PolarHBondContact O-N 3.15Å; H137-L140 PolarHBondContact O-N 2.98Å; H137-Q141 PolarHBondContact NE2-OE1 3.21Å; H137-Q141 VanDerWaalsContact O-CB 3.23Å; H137-Q141 WeakPolarHBondContact O-CB 3.43Å; H137-Q141 PolarHBondContact O-N 3.31Å
138	R	87.9	Confident	86.9	Confident	120 Å²	120	47.7 Å²	47.7	45%	0.453	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-42	178.5	-169	-168.6	165.7	172.6	-2.9	112	N135 L136 M142	N135-R138 HydrophobicContact CB-CB 4.06Å; N135-R138 PolarHBondContact O-N 3.2Å; N135-R138 VanDerWaalsContact O-N 3.11Å; N135-R138 PolarHBondContact OD1-N 3.05Å; N135-R138 VanDerWaalsContact OD1-N 3.09Å; L136-R138 PolarHBondContact O-N 3.23Å; R138-M142 HydrophobicContact CG-CE 3.95Å; R138-M142 HydrophobicContact CG-SD 4.21Å; R138-M142 WeakPolarHBondContact O-CB 3.49Å; R138-M142 WeakPolarHBondContact O-CE 3.31Å; R138-M142 VanDerWaalsContact O-CG 3.23Å; R138-M142 WeakPolarHBondContact O-CG 3.26Å; R138-M142 PolarHBondContact O-N 3.48Å
139	I	91.3	Very high	86.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-51.3	179.6	-68.2	172.7	0	0	0	110.5	F134 N135 L136 H137 M142 A143 L161 Y164 I553 I557	F134-I139 HydrophobicContact CB-CD1 4.36Å; F134-I139 HydrophobicContact CD1-CD1 4.09Å; N135-I139 WeakPolarHBondContact O-CG1 3.36Å; N135-I139 PolarHBondContact O-N 3.42Å; N135-I139 VanDerWaalsContact O-N 3.09Å; L136-I139 PolarHBondContact O-N 3.27Å; H137-I139 PolarHBondContact O-N 3.15Å; I139-M142 PolarHBondContact O-N 3.38Å; I139-A143 VanDerWaalsContact O-CB 3.31Å; I139-A143 WeakPolarHBondContact O-CB 3.48Å; I139-A143 PolarHBondContact O-N 3.48Å; I139-L161 HydrophobicContact CB-CD1 4.28Å; I139-L161 HydrophobicContact CG1-CD1 4.33Å; I139-L161 HydrophobicContact CG2-CD1 3.87Å; I139-Y164 HydrophobicContact CD1-CD1 4.21Å; I139-Y164 HydrophobicContact CD1-CE1 3.85Å; I139-Y164 HydrophobicContact CG1-CD1 3.82Å; I139-Y164 HydrophobicContact CG1-CE1 3.57Å; I139-I553 HydrophobicContact CD1-CD1 4.2Å; I139-I553 HydrophobicContact CG2-CG2 3.78Å; I139-I557 HydrophobicContact CG2-CD1 4.03Å
140	L	90.6	Very high	86.7	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-71.8	-35.5	-175.6	-66.7	168.5	0	0	0	112.3	F22 D23 L136 H137 A143 A144 L556 I557	F22-L140 HydrophobicContact CB-CB 3.95Å; F22-L140 WeakPolarHBondContact O-CD1 3.39Å; D23-L140 VanDerWaalsContact CA-CD1 3.46Å; D23-L140 HydrophobicContact CB-CD1 3.44Å; D23-L140 VanDerWaalsContact CB-CD1 3.44Å; L136-L140 HydrophobicContact CD1-CD1 3.76Å; L136-L140 HydrophobicContact CD1-CG 4Å; L136-L140 HydrophobicContact CD2-CD1 4.16Å; L136-L140 HydrophobicContact CG-CD1 3.58Å; L136-L140 HydrophobicContact CG-CG 4.24Å; L136-L140 WeakPolarHBondContact O-CB 3.13Å; L136-L140 WeakPolarHBondContact O-CG 3.5Å; L136-L140 PolarHBondContact O-N 3.43Å; H137-L140 PolarHBondContact O-N 2.98Å; L140-A143 PolarHBondContact O-N 3.1Å; L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-A144 PolarHBondContact O-N 2.65Å; L140-L556 HydrophobicContact CD2-CB 4.17Å; L140-I557 HydrophobicContact CD2-CG1 3.88Å
141	Q	88.9	Confident	86.7	Confident	63 Å²	63	56.3 Å²	56.3	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-48.7	174	-177.4	176.1	-10	0	0	111.1	H137 A143 A144 E145	H137-Q141 PolarHBondContact NE2-OE1 3.21Å; H137-Q141 VanDerWaalsContact O-CB 3.23Å; H137-Q141 WeakPolarHBondContact O-CB 3.43Å; H137-Q141 PolarHBondContact O-N 3.31Å; Q141-A143 PolarHBondContact O-N 3.03Å; Q141-A144 PolarHBondContact O-N 3.47Å; Q141-E145 HydrophobicContact CG-CG 4.48Å; Q141-E145 VanDerWaalsContact CG-OE1 3.25Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.5Å; Q141-E145 PolarHBondContact NE2-OE1 3.31Å; Q141-E145 WeakPolarHBondContact O-CB 3.3Å; Q141-E145 WeakPolarHBondContact O-CG 3.34Å; Q141-E145 PolarHBondContact O-N 3.16Å
142	M	89.1	Confident	86.7	Confident	29 Å²	29	58.4 Å²	58.4	14%	0.143	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-35.1	175.8	-70	-175.5	-55.3	0	0	111.8	R138 I139 A146 L161	R138-M142 HydrophobicContact CG-CE 3.95Å; R138-M142 HydrophobicContact CG-SD 4.21Å; R138-M142 WeakPolarHBondContact O-CB 3.49Å; R138-M142 WeakPolarHBondContact O-CE 3.31Å; R138-M142 VanDerWaalsContact O-CG 3.23Å; R138-M142 WeakPolarHBondContact O-CG 3.26Å; R138-M142 PolarHBondContact O-N 3.48Å; I139-M142 PolarHBondContact O-N 3.38Å; M142-A146 WeakPolarHBondContact O-CB 3.43Å; M142-A146 PolarHBondContact O-N 2.87Å; M142-L161 HydrophobicContact CE-CD1 3.71Å
143	A	90.7	Very high	87	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.4	-42.3	176.8	0	0	0	0	0	112.4	I139 L140 Q141 A146 N147 L161 I557 C561 L565	I139-A143 VanDerWaalsContact O-CB 3.31Å; I139-A143 WeakPolarHBondContact O-CB 3.48Å; I139-A143 PolarHBondContact O-N 3.48Å; L140-A143 PolarHBondContact O-N 3.1Å; Q141-A143 PolarHBondContact O-N 3.03Å; A143-A146 PolarHBondContact O-N 3.34Å; A143-N147 PolarHBondContact O-N 3.28Å; A143-N147 VanDerWaalsContact O-N 3.15Å; A143-L161 HydrophobicContact CB-CD2 4.18Å; A143-I557 HydrophobicContact CB-CD1 4.49Å; A143-I557 HydrophobicContact CB-CG1 4.26Å; A143-I557 HydrophobicContact CB-CG2 4.25Å; A143-C561 HydrophobicContact CB-CB 4.1Å; A143-L565 HydrophobicContact CB-CD2 3.64Å; A143-L565 WeakPolarHBondContact O-CD2 3.3Å
144	A	88.4	Confident	87.3	Confident	9 Å²	9	59.3 Å²	59.3	7%	0.074	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-47.2	176.2	0	0	0	0	0	111.4	F22 L140 Q141 A146 N147	F22-A144 HydrophobicContact CD1-CB 3.89Å; F22-A144 HydrophobicContact CD2-CB 3.97Å; F22-A144 HydrophobicContact CE1-CB 3.64Å; F22-A144 HydrophobicContact CE2-CB 3.73Å; F22-A144 HydrophobicContact CG-CB 4.05Å; F22-A144 HydrophobicContact CZ-CB 3.56Å; L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-A144 PolarHBondContact O-N 2.65Å; Q141-A144 PolarHBondContact O-N 3.47Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.68Å; A144-N147 PolarHBondContact O-N 3.47Å; A144-N147 VanDerWaalsContact O-N 3.14Å
145	E	87.9	Confident	87.5	Confident	90 Å²	90	61.4 Å²	61.4	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-41.3	175.6	-70.6	169.8	-171.8	0	0	111.1	Q141 N147 E148 I149	Q141-E145 HydrophobicContact CG-CG 4.48Å; Q141-E145 VanDerWaalsContact CG-OE1 3.25Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.5Å; Q141-E145 PolarHBondContact NE2-OE1 3.31Å; Q141-E145 WeakPolarHBondContact O-CB 3.3Å; Q141-E145 WeakPolarHBondContact O-CG 3.34Å; Q141-E145 PolarHBondContact O-N 3.16Å; E145-N147 PolarHBondContact O-N 3.47Å; E145-E148 PolarHBondContact O-N 3.01Å; E145-E148 VanDerWaalsContact O-N 3.12Å; E145-I149 VanDerWaalsContact O-CD1 3.26Å; E145-I149 WeakPolarHBondContact O-CD1 2.69Å; E145-I149 VanDerWaalsContact O-CG1 3.24Å; E145-I149 WeakPolarHBondContact O-CG1 3.25Å
146	A	88.5	Confident	87.6	Confident	2 Å²	2	65 Å²	65	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-32.5	176.4	0	0	0	0	0	113	M142 A143 A144 E148 T154 T157 L565	M142-A146 WeakPolarHBondContact O-CB 3.43Å; M142-A146 PolarHBondContact O-N 2.87Å; A143-A146 PolarHBondContact O-N 3.34Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.68Å; A146-E148 VanDerWaalsContact C-N 3.25Å; A146-E148 PolarHBondContact O-N 3.33Å; A146-T154 WeakPolarHBondContact O-CG2 3.24Å; A146-T157 HydrophobicContact CB-CG2 3.79Å; A146-L565 HydrophobicContact CB-CD1 3.68Å; A146-L565 HydrophobicContact CB-CD2 4.45Å
147	N	85.6	Confident	87.8	Confident	93 Å²	93	66.5 Å²	66.5	50%	0.497	34%	0.341	S	S	.	.	H	α-helix	trans	-73	-17.6	179.2	-169.9	62.1	0	0	0	113.2	A143 A144 E145 C561	A143-N147 PolarHBondContact O-N 3.28Å; A143-N147 VanDerWaalsContact O-N 3.15Å; A144-N147 PolarHBondContact O-N 3.47Å; A144-N147 VanDerWaalsContact O-N 3.14Å; E145-N147 PolarHBondContact O-N 3.47Å; N147-C561 WeakPolarHBondContact CB-O 3.19Å; N147-C561 PolarHBondContact ND2-O 3.43Å; N147-C561 PolarHBondContact OD1-O 3.42Å
148	E	84.6	Confident	88	Confident	165 Å²	165	63.2 Å²	63.2	77%	0.771	33%	0.326	S	S	*	.	H	α-helix	trans	-92.6	-11.7	179.3	-65.2	-178.2	176.8	0	0	113.4	E145 A146	E145-E148 PolarHBondContact O-N 3.01Å; E145-E148 VanDerWaalsContact O-N 3.12Å; A146-E148 VanDerWaalsContact C-N 3.25Å; A146-E148 PolarHBondContact O-N 3.33Å
149	I	84.6	Confident	88.2	Confident	81 Å²	81	62.9 Å²	62.9	42%	0.415	33%	0.329	S	S	.	.	S	Bend	trans	-95.7	161.7	-172.1	-59.6	160.7	0	0	0	111.7	E145 A153 T154	E145-I149 VanDerWaalsContact O-CD1 3.26Å; E145-I149 WeakPolarHBondContact O-CD1 2.69Å; E145-I149 VanDerWaalsContact O-CG1 3.24Å; E145-I149 WeakPolarHBondContact O-CG1 3.25Å; I149-A153 HydrophobicContact CG2-CB 3.44Å; I149-A153 VanDerWaalsContact CG2-CB 3.44Å; I149-T154 HydrophobicContact CB-CG2 4.26Å; I149-T154 WeakPolarHBondContact O-CG2 3.43Å
150	L	85.3	Confident	88.3	Confident	126 Å²	126	67.5 Å²	67.5	66%	0.66	35%	0.352	S	S	*	.			trans	-57.2	140.2	173.7	-161	73.7	0	0	0	112.5	E152 A153 T154	L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 3.42Å; L150-E152 VanDerWaalsContact O-N 3.09Å; L150-A153 PolarHBondContact O-N 2.93Å; L150-T154 VanDerWaalsContact O-CG2 3.31Å; L150-T154 WeakPolarHBondContact O-CG2 3.48Å; L150-T154 PolarHBondContact O-N 2.9Å
151	P	82.5	Confident	88.4	Confident	91 Å²	91	67.4 Å²	67.4	59%	0.591	35%	0.352	S	S	*	.	H	α-helix	trans	-49.6	-40.9	-171.1	13.9	-32.3	0	0	0	115.6	A153 T154 A155	P151-A153 VanDerWaalsContact C-N 3.33Å; P151-A153 PolarHBondContact O-N 2.8Å; P151-T154 WeakPolarHBondContact CA-OG1 3.45Å; P151-T154 PolarHBondContact O-N 3.06Å; P151-T154 VanDerWaalsContact O-N 3.16Å; P151-T154 PolarHBondContact O-OG1 3.49Å; P151-A155 PolarHBondContact O-N 3.13Å
152	E	82.5	Confident	88.7	Confident	155 Å²	155	64.4 Å²	64.4	72%	0.724	34%	0.338	S	S	*	.	H	α-helix	trans	-64.5	-36.1	-180	-65.2	-177.1	-179.7	0	0	113.4	L150	L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 3.42Å; L150-E152 VanDerWaalsContact O-N 3.09Å
153	A	87.4	Confident	88.9	Confident	40 Å²	40	70.2 Å²	70.2	33%	0.331	36%	0.359	S	S	.	.	H	α-helix	trans	-77.2	-33.5	174.2	0	0	0	0	0	111.1	I149 L150 P151 A155 K156 T157	I149-A153 HydrophobicContact CG2-CB 3.44Å; I149-A153 VanDerWaalsContact CG2-CB 3.44Å; L150-A153 PolarHBondContact O-N 2.93Å; P151-A153 VanDerWaalsContact C-N 3.33Å; P151-A153 PolarHBondContact O-N 2.8Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 2.85Å; A153-K156 PolarHBondContact O-N 3.35Å; A153-T157 PolarHBondContact O-N 2.75Å; A153-T157 PolarHBondContact O-OG1 3.01Å; A153-T157 VanDerWaalsContact O-OG1 3.1Å
154	T	88	Confident	89	Confident	17 Å²	17	72.2 Å²	72.2	10%	0.104	37%	0.367	C	S	.	.	H	α-helix	trans	-58.7	-44.4	174.3	74.4	0	0	0	0	111.8	A146 I149 L150 P151 K156 T157 V158	A146-T154 WeakPolarHBondContact O-CG2 3.24Å; I149-T154 HydrophobicContact CB-CG2 4.26Å; I149-T154 WeakPolarHBondContact O-CG2 3.43Å; L150-T154 VanDerWaalsContact O-CG2 3.31Å; L150-T154 WeakPolarHBondContact O-CG2 3.48Å; L150-T154 PolarHBondContact O-N 2.9Å; P151-T154 WeakPolarHBondContact CA-OG1 3.45Å; P151-T154 PolarHBondContact O-N 3.06Å; P151-T154 VanDerWaalsContact O-N 3.16Å; P151-T154 PolarHBondContact O-OG1 3.49Å; T154-K156 VanDerWaalsContact C-N 3.33Å; T154-K156 PolarHBondContact O-N 3.43Å; T154-T157 CarbonylContact O-C 3.38Å; T154-T157 PolarHBondContact O-N 2.9Å; T154-T157 VanDerWaalsContact O-N 3.08Å; T154-V158 VanDerWaalsContact O-CG2 3.31Å; T154-V158 WeakPolarHBondContact O-CG2 3.41Å; T154-V158 PolarHBondContact O-N 2.78Å
155	A	89.1	Confident	89.2	Confident	50 Å²	50	71.8 Å²	71.8	41%	0.413	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-40.7	-179.9	0	0	0	0	0	112.4	P151 A153 V158 H159	P151-A155 PolarHBondContact O-N 3.13Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 2.85Å; A155-V158 PolarHBondContact O-N 3.04Å; A155-H159 WeakPolarHBondContact O-CB 3.42Å; A155-H159 PolarHBondContact O-N 3.24Å
156	K	90.9	Very high	89.3	Confident	155 Å²	155	69.7 Å²	69.7	67%	0.674	35%	0.353	S	S	*	.	H	α-helix	trans	-64.3	-43.6	174.5	-68.4	178.4	-177.7	172.7	0	111.4	A153 T154 H159 I160	A153-K156 PolarHBondContact O-N 3.35Å; T154-K156 VanDerWaalsContact C-N 3.33Å; T154-K156 PolarHBondContact O-N 3.43Å; K156-H159 PolarHBondContact O-N 3.26Å; K156-I160 WeakPolarHBondContact O-CG1 3.3Å; K156-I160 PolarHBondContact O-N 3.45Å
157	T	91.5	Very high	89.5	Confident	36 Å²	36	71.7 Å²	71.7	22%	0.221	37%	0.367	C	S	.	.	H	α-helix	trans	-65.8	-40.6	178.3	-55	0	0	0	0	111.8	A146 A153 T154 H159 I160 L161	A146-T157 HydrophobicContact CB-CG2 3.79Å; A153-T157 PolarHBondContact O-N 2.75Å; A153-T157 PolarHBondContact O-OG1 3.01Å; A153-T157 VanDerWaalsContact O-OG1 3.1Å; T154-T157 CarbonylContact O-C 3.38Å; T154-T157 PolarHBondContact O-N 2.9Å; T154-T157 VanDerWaalsContact O-N 3.08Å; T157-H159 VanDerWaalsContact C-N 3.33Å; T157-H159 PolarHBondContact O-N 2.97Å; T157-I160 PolarHBondContact O-N 3.31Å; T157-L161 WeakPolarHBondContact O-CB 3.43Å; T157-L161 PolarHBondContact O-N 2.9Å
158	V	92.8	Very high	89.6	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-42.7	173.3	171.7	0	0	0	0	110.9	T154 A155 I160 L161 S162 L565 E568 L569	T154-V158 VanDerWaalsContact O-CG2 3.31Å; T154-V158 WeakPolarHBondContact O-CG2 3.41Å; T154-V158 PolarHBondContact O-N 2.78Å; A155-V158 PolarHBondContact O-N 3.04Å; V158-I160 PolarHBondContact O-N 3Å; V158-L161 WeakPolarHBondContact O-CB 3.18Å; V158-L161 PolarHBondContact O-N 3.17Å; V158-S162 WeakPolarHBondContact O-CB 3.1Å; V158-S162 PolarHBondContact O-N 3.29Å; V158-L565 HydrophobicContact CG2-CD1 3.32Å; V158-L565 HydrophobicContact CG2-CG 4.2Å; V158-E568 HydrophobicContact CG1-CB 3.95Å; V158-E568 HydrophobicContact CG2-CB 4.49Å; V158-L569 HydrophobicContact CG1-CB 4.19Å
159	H	92.8	Very high	89.8	Confident	112 Å²	112	59.8 Å²	59.8	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-42.4	176.6	-173	-86.3	0	0	0	112	A155 K156 T157 L161 S162 Y163	A155-H159 WeakPolarHBondContact O-CB 3.42Å; A155-H159 PolarHBondContact O-N 3.24Å; K156-H159 PolarHBondContact O-N 3.26Å; T157-H159 VanDerWaalsContact C-N 3.33Å; T157-H159 PolarHBondContact O-N 2.97Å; H159-L161 VanDerWaalsContact C-N 3.35Å; H159-S162 PolarHBondContact O-N 3.43Å; H159-Y163 WeakPolarHBondContact O-CB 3.41Å; H159-Y163 PolarHBondContact O-N 2.98Å
160	I	92.9	Very high	89.9	Confident	97 Å²	97	61.3 Å²	61.3	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-43.1	174.1	-66.7	165.2	0	0	0	110.7	K156 T157 V158 Y163 Y164	K156-I160 WeakPolarHBondContact O-CG1 3.3Å; K156-I160 PolarHBondContact O-N 3.45Å; T157-I160 PolarHBondContact O-N 3.31Å; V158-I160 PolarHBondContact O-N 3Å; I160-Y163 PolarHBondContact O-N 2.81Å; I160-Y164 WeakPolarHBondContact O-CB 3.29Å; I160-Y164 PolarHBondContact O-N 3.42Å
161	L	93.1	Very high	89.8	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-44.1	177.4	-174.5	58.2	0	0	0	111.7	I139 M142 A143 T157 V158 H159 Y164 M165 I557 L569	I139-L161 HydrophobicContact CB-CD1 4.28Å; I139-L161 HydrophobicContact CG1-CD1 4.33Å; I139-L161 HydrophobicContact CG2-CD1 3.87Å; M142-L161 HydrophobicContact CE-CD1 3.71Å; A143-L161 HydrophobicContact CB-CD2 4.18Å; T157-L161 WeakPolarHBondContact O-CB 3.43Å; T157-L161 PolarHBondContact O-N 2.9Å; V158-L161 WeakPolarHBondContact O-CB 3.18Å; V158-L161 PolarHBondContact O-N 3.17Å; H159-L161 VanDerWaalsContact C-N 3.35Å; L161-Y164 PolarHBondContact O-N 2.88Å; L161-M165 VanDerWaalsContact O-CB 3.3Å; L161-M165 WeakPolarHBondContact O-CB 3.48Å; L161-M165 PolarHBondContact O-N 2.88Å; L161-I557 HydrophobicContact CD2-CD1 4.46Å; L161-L569 HydrophobicContact CB-CD1 4.29Å; L161-L569 HydrophobicContact CD2-CD1 4.25Å; L161-L569 HydrophobicContact CD2-CD2 3.96Å; L161-L569 HydrophobicContact CG-CD1 3.99Å; L161-L569 HydrophobicContact CG-CD2 4.34Å
162	S	94.1	Very high	89.8	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-45.7	175.1	-178.4	0	0	0	0	111.5	V158 H159 M165 K166	V158-S162 WeakPolarHBondContact O-CB 3.1Å; V158-S162 PolarHBondContact O-N 3.29Å; H159-S162 PolarHBondContact O-N 3.43Å; S162-M165 PolarHBondContact O-N 3.17Å; S162-K166 VanDerWaalsContact O-CB 3.24Å; S162-K166 WeakPolarHBondContact O-CB 3.48Å; S162-K166 PolarHBondContact O-N 3.29Å
163	Y	93.5	Very high	89.7	Confident	150 Å²	150	55.8 Å²	55.8	59%	0.588	27%	0.268	S	S	*	.	H	α-helix	trans	-62.7	-43.1	175.7	-178.2	-97.5	0	0	0	112.4	H159 I160 S167	H159-Y163 WeakPolarHBondContact O-CB 3.41Å; H159-Y163 PolarHBondContact O-N 2.98Å; I160-Y163 PolarHBondContact O-N 2.81Å; Y163-S167 WeakPolarHBondContact O-CB 3.42Å; Y163-S167 PolarHBondContact O-N 2.95Å; Y163-S167 PolarHBondContact O-OG 3.41Å
164	Y	92.7	Very high	89.3	Confident	42 Å²	42	58.5 Å²	58.5	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-45.9	176.3	179.1	-102.4	0	0	0	111.6	N135 I139 I160 L161 S167 C168	N135-Y164 VanDerWaalsContact CB-OH 3.31Å; N135-Y164 WeakPolarHBondContact CB-OH 3.43Å; I139-Y164 HydrophobicContact CD1-CD1 4.21Å; I139-Y164 HydrophobicContact CD1-CE1 3.85Å; I139-Y164 HydrophobicContact CG1-CD1 3.82Å; I139-Y164 HydrophobicContact CG1-CE1 3.57Å; I160-Y164 WeakPolarHBondContact O-CB 3.29Å; I160-Y164 PolarHBondContact O-N 3.42Å; L161-Y164 PolarHBondContact O-N 2.88Å; Y164-S167 WeakPolarHBondContact O-CB 3.26Å; Y164-S167 PolarHBondContact O-N 3.46Å; Y164-C168 PolarHBondContact O-N 3.13Å; Y164-C168 PolarHBondContact O-SG 3.38Å
165	M	92.3	Very high	88.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-43.6	179.6	-170.7	164.2	178	0	0	111.5	L161 S162 S167 C168 I169 S550 I553 I554 L569 L573	L161-M165 VanDerWaalsContact O-CB 3.3Å; L161-M165 WeakPolarHBondContact O-CB 3.48Å; L161-M165 PolarHBondContact O-N 2.88Å; S162-M165 PolarHBondContact O-N 3.17Å; M165-S167 VanDerWaalsContact C-N 3.33Å; M165-S167 PolarHBondContact O-N 3.23Å; M165-C168 WeakPolarHBondContact O-CB 3.45Å; M165-C168 PolarHBondContact O-N 3.25Å; M165-I169 HydrophobicContact CG-CD1 4.08Å; M165-I169 VanDerWaalsContact O-CG1 3.25Å; M165-I169 WeakPolarHBondContact O-CG1 3.39Å; M165-I169 PolarHBondContact O-N 3.47Å; M165-S550 VanDerWaalsContact CE-CB 3.44Å; M165-S550 WeakPolarHBondContact CE-O 3.44Å; M165-I553 HydrophobicContact CE-CB 4.18Å; M165-I553 HydrophobicContact CE-CG2 4.2Å; M165-I554 HydrophobicContact CE-CD1 4.21Å; M165-I554 HydrophobicContact CE-CG1 3.99Å; M165-L569 HydrophobicContact SD-CD2 4.23Å; M165-L573 HydrophobicContact CB-CD2 4.48Å; M165-L573 HydrophobicContact CE-CD1 4.21Å; M165-L573 HydrophobicContact CG-CD1 4.45Å; M165-L573 HydrophobicContact SD-CD1 3.81Å
166	K	91.7	Very high	87.8	Confident	46 Å²	46	66.9 Å²	66.9	20%	0.2	30%	0.299	C	S	.	.	H	α-helix	trans	-54.7	-47.4	171.1	176.8	-175.9	179.6	179.2	0	111.8	S162 C168 I169 Q170 N576	S162-K166 VanDerWaalsContact O-CB 3.24Å; S162-K166 WeakPolarHBondContact O-CB 3.48Å; S162-K166 PolarHBondContact O-N 3.29Å; K166-C168 VanDerWaalsContact C-N 3.31Å; K166-C168 PolarHBondContact O-N 3.17Å; K166-I169 PolarHBondContact O-N 3.31Å; K166-Q170 WeakPolarHBondContact O-CB 3.44Å; K166-Q170 PolarHBondContact O-N 2.8Å; K166-N576 HydrophobicContact CD-CB 4.36Å; K166-N576 PolarHBondContact NZ-OD1 3.19Å
167	S	90.7	Very high	86.8	Confident	45 Å²	45	67 Å²	67	32%	0.315	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-40.5	178.3	-58.7	0	0	0	0	111.7	Y163 Y164 M165 R171	Y163-S167 WeakPolarHBondContact O-CB 3.42Å; Y163-S167 PolarHBondContact O-N 2.95Å; Y163-S167 PolarHBondContact O-OG 3.41Å; Y164-S167 WeakPolarHBondContact O-CB 3.26Å; Y164-S167 PolarHBondContact O-N 3.46Å; M165-S167 VanDerWaalsContact C-N 3.33Å; M165-S167 PolarHBondContact O-N 3.23Å; S167-R171 WeakPolarHBondContact O-CB 3.4Å; S167-R171 PolarHBondContact O-N 3.12Å
168	C	89	Confident	85.8	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.02	31%	0.311	C	S	.	.	H	α-helix	trans	-65.5	-45.4	175.9	-66.6	0	0	0	0	112	F134 Y164 M165 K166 R171 Q172	F134-C168 HydrophobicContact CD1-CB 3.56Å; F134-C168 HydrophobicContact CE1-CB 3.36Å; F134-C168 HydrophobicContact CZ-CB 4.26Å; Y164-C168 PolarHBondContact O-N 3.13Å; Y164-C168 PolarHBondContact O-SG 3.38Å; M165-C168 WeakPolarHBondContact O-CB 3.45Å; M165-C168 PolarHBondContact O-N 3.25Å; K166-C168 VanDerWaalsContact C-N 3.31Å; K166-C168 PolarHBondContact O-N 3.17Å; C168-R171 PolarHBondContact O-N 2.78Å; C168-Q172 WeakPolarHBondContact O-CG 3.44Å; C168-Q172 PolarHBondContact O-N 3.25Å
169	I	88	Confident	84.3	Confident	5 Å²	5	72.7 Å²	72.7	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-47.8	176.3	-69.9	165.3	0	0	0	110.5	F134 M165 K166 R171 Q172 R173 Y545 L546 S550	F134-I169 HydrophobicContact CZ-CG1 4.4Å; M165-I169 HydrophobicContact CG-CD1 4.08Å; M165-I169 VanDerWaalsContact O-CG1 3.25Å; M165-I169 WeakPolarHBondContact O-CG1 3.39Å; M165-I169 PolarHBondContact O-N 3.47Å; K166-I169 PolarHBondContact O-N 3.31Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 3.05Å; I169-Q172 PolarHBondContact O-N 3.34Å; I169-R173 WeakPolarHBondContact O-CG 3.37Å; I169-R173 PolarHBondContact O-N 2.97Å; I169-Y545 VanDerWaalsContact CG2-O 3.26Å; I169-Y545 WeakPolarHBondContact CG2-O 3.47Å; I169-L546 HydrophobicContact CD1-CD1 4.45Å; I169-S550 WeakPolarHBondContact CD1-OG 3.34Å; I169-S550 WeakPolarHBondContact CG1-OG 3.34Å
170	Q	86.5	Confident	82.9	Confident	113 Å²	113	72.9 Å²	72.9	53%	0.528	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-43	179.3	-177.5	172.6	-6.9	0	0	111.3	K166 Q172 R173 L174	K166-Q170 WeakPolarHBondContact O-CB 3.44Å; K166-Q170 PolarHBondContact O-N 2.8Å; Q170-Q172 PolarHBondContact O-N 3.36Å; Q170-R173 PolarHBondContact O-N 3.2Å; Q170-L174 HydrophobicContact CG-CD1 4.3Å; Q170-L174 WeakPolarHBondContact O-CG 3.31Å; Q170-L174 PolarHBondContact O-N 2.85Å
171	R	84.6	Confident	81.2	Confident	112 Å²	112	74.5 Å²	74.5	42%	0.423	33%	0.331	S	S	.	.	H	α-helix	trans	-59.6	-45.4	175.3	-179.2	173.3	61	-170.7	-2.6	111.8	G133 S167 C168 I169 R173 L174 Y175	G133-R171 PolarHBondContact O-NH2 3.31Å; S167-R171 WeakPolarHBondContact O-CB 3.4Å; S167-R171 PolarHBondContact O-N 3.12Å; C168-R171 PolarHBondContact O-N 2.78Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 3.05Å; R171-R173 VanDerWaalsContact C-N 3.32Å; R171-R173 PolarHBondContact O-N 3.28Å; R171-L174 PolarHBondContact O-N 3.48Å; R171-Y175 HydrophobicContact CG-CD2 3.95Å; R171-Y175 HydrophobicContact CG-CE2 3.74Å; R171-Y175 VanDerWaalsContact O-CD2 3.25Å; R171-Y175 WeakPolarHBondContact O-CD2 3.35Å; R171-Y175 PolarHBondContact O-N 3.37Å; R171-Y175 VanDerWaalsContact O-N 3.1Å
172	Q	82	Confident	79.4	Confident	42 Å²	42	81.5 Å²	81.5	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-39.9	177.5	-74.8	-173.2	-28.1	0	0	112.4	S132 F134 C168 I169 Q170 Y175 K176	S132-Q172 PolarHBondContact O-NE2 3.16Å; F134-Q172 VanDerWaalsContact CE2-OE1 3.29Å; C168-Q172 WeakPolarHBondContact O-CG 3.44Å; C168-Q172 PolarHBondContact O-N 3.25Å; I169-Q172 PolarHBondContact O-N 3.34Å; Q170-Q172 PolarHBondContact O-N 3.36Å; Q172-Y175 PolarHBondContact O-N 2.92Å; Q172-K176 PolarHBondContact O-N 2.97Å; Q172-K176 VanDerWaalsContact O-N 3.15Å
173	R	79.2	Confident	77.5	Confident	101 Å²	101	85.8 Å²	85.8	38%	0.381	38%	0.384	S	S	.	.	H	α-helix	trans	-67.7	-38.7	176.6	-66.9	-166.1	-156.7	146.7	23.5	113.2	I169 Q170 R171 Y175 K176 Y177 Y544 Y545	I169-R173 WeakPolarHBondContact O-CG 3.37Å; I169-R173 PolarHBondContact O-N 2.97Å; Q170-R173 PolarHBondContact O-N 3.2Å; R171-R173 VanDerWaalsContact C-N 3.32Å; R171-R173 PolarHBondContact O-N 3.28Å; R173-Y175 VanDerWaalsContact C-N 3.34Å; R173-K176 WeakPolarHBondContact O-CB 3.49Å; R173-K176 PolarHBondContact O-N 3.42Å; R173-Y177 PolarHBondContact O-N 2.95Å; R173-Y544 PolarHBondContact NE-O 3.25Å; R173-Y544 PolarHBondContact NH2-O 2.95Å; R173-Y545 VanDerWaalsContact NH2-C 3.27Å; R173-Y545 VanDerWaalsContact NH2-CD2 3.31Å; R173-Y545 PolarHBondContact NH2-O 2.62Å
174	L	79.5	Confident	75.7	Confident	97 Å²	97	82.8 Å²	82.8	51%	0.508	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-45.9	175.1	-74.2	168	0	0	0	110.6	Q170 R171 K176 Y177 T178	Q170-L174 HydrophobicContact CG-CD1 4.3Å; Q170-L174 WeakPolarHBondContact O-CG 3.31Å; Q170-L174 PolarHBondContact O-N 2.85Å; R171-L174 PolarHBondContact O-N 3.48Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 3.45Å; L174-Y177 PolarHBondContact O-N 3.49Å; L174-Y177 VanDerWaalsContact O-N 3.12Å; L174-T178 PolarHBondContact O-N 3.44Å; L174-T178 PolarHBondContact O-OG1 3.44Å
175	Y	74	Confident	73.8	Confident	151 Å²	151	86.6 Å²	86.6	59%	0.592	40%	0.396	S	S	*	.	H	α-helix	trans	-57.5	-39.8	174.5	-85.7	-70	0	0	0	113.1	R171 Q172 R173 N179	R171-Y175 HydrophobicContact CG-CD2 3.95Å; R171-Y175 HydrophobicContact CG-CE2 3.74Å; R171-Y175 VanDerWaalsContact O-CD2 3.25Å; R171-Y175 WeakPolarHBondContact O-CD2 3.35Å; R171-Y175 PolarHBondContact O-N 3.37Å; R171-Y175 VanDerWaalsContact O-N 3.1Å; Q172-Y175 PolarHBondContact O-N 2.92Å; R173-Y175 VanDerWaalsContact C-N 3.34Å; Y175-N179 PolarHBondContact O-N 3.23Å
176	K	71.7	Confident	71.8	Confident	93 Å²	93	91.5 Å²	91.5	40%	0.404	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-43.4	175.8	-172.8	177.1	-176.4	-178	0	112.1	Q172 R173 L174 Q180 Q374	Q172-K176 PolarHBondContact O-N 2.97Å; Q172-K176 VanDerWaalsContact O-N 3.15Å; R173-K176 WeakPolarHBondContact O-CB 3.49Å; R173-K176 PolarHBondContact O-N 3.42Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 3.45Å; K176-Q180 PolarHBondContact O-N 3.12Å; K176-Q374 WeakPolarHBondContact CD-O 3.31Å; K176-Q374 WeakPolarHBondContact CG-O 3.29Å
177	Y	70.5	Confident	69.7	Low	158 Å²	158	95 Å²	95	62%	0.62	44%	0.443	S	S	*	.	H	α-helix	trans	-68.3	-45.7	180	-173.5	-93	0	0	0	112.3	R173 L174 N179 Q180 Y181	R173-Y177 PolarHBondContact O-N 2.95Å; L174-Y177 PolarHBondContact O-N 3.49Å; L174-Y177 VanDerWaalsContact O-N 3.12Å; Y177-N179 VanDerWaalsContact C-N 3.34Å; Y177-N179 PolarHBondContact O-N 3.4Å; Y177-Q180 PolarHBondContact O-N 3.02Å; Y177-Y181 PolarHBondContact O-N 3.48Å; Y177-Y181 VanDerWaalsContact O-N 3.12Å
178	T	70.5	Confident	67.5	Low	86 Å²	86	97.4 Å²	97.4	53%	0.528	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-39.6	-178.6	-46.2	0	0	0	0	111.9	L174 Y181 K182	L174-T178 PolarHBondContact O-N 3.44Å; L174-T178 PolarHBondContact O-OG1 3.44Å; T178-Y181 PolarHBondContact O-N 3.42Å; T178-K182 PolarHBondContact O-N 3.03Å
179	N	62	Low	65.6	Low	70 Å²	70	103.4 Å²	103.4	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-67.1	-43.9	176.9	-73.3	0.6	0	0	0	111.6	Y175 Y177 Y181 K182 D183	Y175-N179 PolarHBondContact O-N 3.23Å; Y177-N179 VanDerWaalsContact C-N 3.34Å; Y177-N179 PolarHBondContact O-N 3.4Å; N179-Y181 PolarHBondContact O-N 3.04Å; N179-K182 PolarHBondContact O-N 2.96Å; N179-K182 VanDerWaalsContact O-N 3.11Å; N179-D183 PolarHBondContact O-N 2.91Å; N179-D183 VanDerWaalsContact O-N 3.13Å
180	Q	63.4	Low	63.5	Low	117 Å²	117	110.5 Å²	110.5	55%	0.547	51%	0.511	S	S	.	.	H	α-helix	trans	-60.2	-34.2	178.5	-175	177.4	-5.3	0	0	112.5	K176 Y177 I184	K176-Q180 PolarHBondContact O-N 3.12Å; Y177-Q180 PolarHBondContact O-N 3.02Å; Q180-I184 WeakPolarHBondContact O-CG1 3.26Å
181	Y	57.4	Low	61.3	Low	131 Å²	131	111.3 Å²	111.3	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-73.9	-35.5	176.8	-161.1	-91.2	0	0	0	112.5	Y177 T178 N179 D183 I184 E185	Y177-Y181 PolarHBondContact O-N 3.48Å; Y177-Y181 VanDerWaalsContact O-N 3.12Å; T178-Y181 PolarHBondContact O-N 3.42Å; N179-Y181 PolarHBondContact O-N 3.04Å; Y181-D183 VanDerWaalsContact C-N 3.3Å; Y181-D183 PolarHBondContact O-N 3.49Å; Y181-I184 PolarHBondContact O-N 2.91Å; Y181-E185 PolarHBondContact O-N 3.35Å; Y181-E185 VanDerWaalsContact O-N 3.13Å
182	K	54.3	Low	58.9	Low	148 Å²	148	112.2 Å²	112.2	64%	0.643	53%	0.532	S	S	*	.	H	α-helix	trans	-65.8	-34.5	177.9	-161.3	176.1	-176.4	-178.9	0	112.4	T178 N179 I184 E185 L186	T178-K182 PolarHBondContact O-N 3.03Å; N179-K182 PolarHBondContact O-N 2.96Å; N179-K182 VanDerWaalsContact O-N 3.11Å; K182-I184 VanDerWaalsContact C-N 3.34Å; K182-E185 PolarHBondContact O-N 3.17Å; K182-L186 PolarHBondContact O-N 2.85Å
183	D	53.3	Low	56.5	Low	92 Å²	92	117.7 Å²	117.7	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-66.3	-37.7	175.4	-61	-29.7	0	0	0	111.3	N179 Y181 L186 D187	N179-D183 PolarHBondContact O-N 2.91Å; N179-D183 VanDerWaalsContact O-N 3.13Å; Y181-D183 VanDerWaalsContact C-N 3.3Å; Y181-D183 PolarHBondContact O-N 3.49Å; D183-L186 PolarHBondContact O-N 3.17Å; D183-D187 PolarHBondContact O-N 3.46Å; D183-D187 VanDerWaalsContact O-N 3.12Å
184	I	55.6	Low	54	Low	86 Å²	86	118.4 Å²	118.4	44%	0.441	57%	0.574	S	S	.	*	H	α-helix	trans	-67.5	-36.5	176.2	-64.3	166.9	0	0	0	111.4	Q180 Y181 K182 L186 N188	Q180-I184 WeakPolarHBondContact O-CG1 3.26Å; Y181-I184 PolarHBondContact O-N 2.91Å; K182-I184 VanDerWaalsContact C-N 3.34Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-N188 PolarHBondContact O-N 3.49Å; I184-N188 PolarHBondContact O-ND2 3.31Å
185	E	53.6	Low	51.6	Low	123 Å²	123	121.2 Å²	121.2	58%	0.575	59%	0.587	S	S	*	*	H	α-helix	trans	-70.1	-33.2	179	-144.4	165.6	-149.6	0	0	111.8	Y181 K182 Q189	Y181-E185 PolarHBondContact O-N 3.35Å; Y181-E185 VanDerWaalsContact O-N 3.13Å; K182-E185 PolarHBondContact O-N 3.17Å; E185-Q189 PolarHBondContact O-N 3.01Å
186	L	49.5	Very low	49.4	Very low	102 Å²	102	122 Å²	122	53%	0.534	60%	0.596	S	S	.	*	H	α-helix	trans	-75.1	-38	177.6	-158.8	77.1	0	0	0	112.8	K182 D183 I184 N188 Q189 F190	K182-L186 PolarHBondContact O-N 2.85Å; D183-L186 PolarHBondContact O-N 3.17Å; I184-L186 VanDerWaalsContact C-N 3.34Å; L186-N188 VanDerWaalsContact C-N 3.34Å; L186-Q189 PolarHBondContact O-N 3.42Å; L186-F190 PolarHBondContact O-N 2.94Å
187	D	47.8	Very low	47.1	Very low	120 Å²	120	126.4 Å²	126.4	64%	0.642	62%	0.618	S	S	*	*	H	α-helix	trans	-63.2	-41	174.8	-103.7	-0.9	0	0	0	111.3	D183 Q189 F190	D183-D187 PolarHBondContact O-N 3.46Å; D183-D187 VanDerWaalsContact O-N 3.12Å; D187-Q189 PolarHBondContact O-N 3.17Å; D187-F190 PolarHBondContact O-N 3.16Å
188	N	45.8	Very low	44.9	Very low	95 Å²	95	122.3 Å²	122.3	51%	0.508	62%	0.624	S	S	.	*	H	α-helix	trans	-67.5	-16.2	177.2	-70.6	-44.8	0	0	0	113.5	I184 L186 N192	I184-N188 PolarHBondContact O-N 3.49Å; I184-N188 PolarHBondContact O-ND2 3.31Å; L186-N188 VanDerWaalsContact C-N 3.34Å; N188-N192 PolarHBondContact O-ND2 3.46Å; N188-N192 VanDerWaalsContact O-ND2 3.11Å
189	Q	49.3	Very low	42.8	Very low	130 Å²	130	126.3 Å²	126.3	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-86.5	-28.8	177.5	-156.6	170.1	5	0	0	112	E185 L186 D187	E185-Q189 PolarHBondContact O-N 3.01Å; L186-Q189 PolarHBondContact O-N 3.42Å; D187-Q189 PolarHBondContact O-N 3.17Å
190	F	42.2	Very low	41	Very low	153 Å²	153	132.4 Å²	132.4	67%	0.671	66%	0.663	S	S	*	*	H	α-helix	trans	-75.3	-24.6	176.4	-98.1	-83.6	0	0	0	113.8	L186 D187 N192	L186-F190 PolarHBondContact O-N 2.94Å; D187-F190 PolarHBondContact O-N 3.16Å; F190-N192 PolarHBondContact O-N 3.03Å
191	D	40.8	Very low	38.9	Very low	130 Å²	130	135.4 Å²	135.4	70%	0.695	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-8.9	176.3	-76.4	-22.2	0	0	0	113.9
192	N	35.1	Very low	37.4	Very low	131 Å²	131	136 Å²	136	70%	0.701	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	3.3	-175.4	-70.2	-43	0	0	0	115	N188 F190 T194	N188-N192 PolarHBondContact O-ND2 3.46Å; N188-N192 VanDerWaalsContact O-ND2 3.11Å; F190-N192 PolarHBondContact O-N 3.03Å; N192-T194 VanDerWaalsContact C-N 3.25Å; N192-T194 PolarHBondContact O-N 3.03Å; N192-T194 VanDerWaalsContact O-N 3.15Å
193	E	30.1	Very low	35.8	Very low	157 Å²	157	137.3 Å²	137.3	73%	0.734	69%	0.694	S	S	*	*			trans	-89.5	59.7	172.8	-72.6	-169	173.6	0	0	111.8
194	T	26.9	Very low	34.3	Very low	117 Å²	117	137.7 Å²	137.7	72%	0.718	70%	0.7	S	S	*	*			trans	-135.1	131.7	148.9	26.6	0	0	0	0	107.4	N192	N192-T194 VanDerWaalsContact C-N 3.25Å; N192-T194 PolarHBondContact O-N 3.03Å; N192-T194 VanDerWaalsContact O-N 3.15Å
195	I	30.7	Very low	32.7	Very low	155 Å²	155	139.2 Å²	139.2	80%	0.795	72%	0.717	S	S	*	*	S	Bend	trans	101.6	92.2	173.7	-52.9	168.9	0	0	0	114.4
196	H	27.8	Very low	31.2	Very low	168 Å²	168	140.8 Å²	140.8	78%	0.778	73%	0.728	S	S	*	*			trans	68.1	110.5	141.8	-70	-84.7	0	0	0	121.9
197	E	23.7	Very low	30	Very low	186 Å²	186	143.3 Å²	143.3	87%	0.869	74%	0.741	S	S	*	*			trans	6.5	122.6	140.3	-64.5	176.4	155	0	0	118.6
198	G	23.8	Very low	28.9	Very low	72 Å²	72	145.3 Å²	145.3	74%	0.742	75%	0.751	S	S	*	*			trans	92	91.8	147.3	0	0	0	0	0	116.4
199	E	25.6	Very low	27.7	Very low	169 Å²	169	148 Å²	148	79%	0.79	77%	0.766	S	S	*	*				161.6	121.7	121.8	-87.6	-177.9	170.1	0	0	110.5	F201	E199-F201 PolarHBondContact O-N 2.97Å; E199-F201 VanDerWaalsContact O-N 3.08Å
200	Q	23.8	Very low	26.6	Very low	199 Å²	199	149.3 Å²	149.3	93%	0.93	78%	0.777	S	S	*	*			trans	-69.6	97.1	-179.4	-75.2	170.9	-40.7	0	0	111	L202	Q200-L202 PolarHBondContact O-N 3.01Å; Q200-L202 VanDerWaalsContact O-N 3.1Å
201	F	20.9	Very low	25.7	Very low	179 Å²	179	150.6 Å²	150.6	79%	0.785	78%	0.782	S	S	*	*			trans	-80.4	83.6	167	-86.2	-88.8	0	0	0	110.9	E199 H203	E199-F201 PolarHBondContact O-N 2.97Å; E199-F201 VanDerWaalsContact O-N 3.08Å; F201-H203 PolarHBondContact O-N 3.29Å
202	L	24	Very low	24.9	Very low	144 Å²	144	151 Å²	151	75%	0.754	78%	0.784	S	S	*	*			trans	-80.9	105	162.6	-177.4	71.1	0	0	0	108.1	Q200 T204	Q200-L202 PolarHBondContact O-N 3.01Å; Q200-L202 VanDerWaalsContact O-N 3.1Å; L202-T204 HydrophobicContact CD2-CG2 4.21Å; L202-T204 HydrophobicContact CG-CG2 4.3Å; L202-T204 PolarHBondContact O-N 3.48Å
203	H	21.4	Very low	24.4	Very low	175 Å²	175	153.9 Å²	153.9	81%	0.81	79%	0.794	S	S	*	*			trans	-63.7	92.3	172.4	-100.5	-82	0	0	0	110.6	F201	F201-H203 PolarHBondContact O-N 3.29Å
204	T	22.3	Very low	24.1	Very low	101 Å²	101	152.7 Å²	152.7	62%	0.62	80%	0.797	S	S	*	*			trans	-100.4	110.3	163.1	41.2	0	0	0	0	108.6	L202 I206	L202-T204 HydrophobicContact CD2-CG2 4.21Å; L202-T204 HydrophobicContact CG-CG2 4.3Å; L202-T204 PolarHBondContact O-N 3.48Å; T204-I206 PolarHBondContact O-N 2.96Å; T204-I206 VanDerWaalsContact O-N 3.09Å
205	C	21.4	Very low	23.8	Very low	118 Å²	118	154.8 Å²	154.8	80%	0.797	80%	0.801	S	S	*	*			trans	-64.8	109.7	172.9	-63.8	0	0	0	0	109.2	L207	C205-L207 PolarHBondContact O-N 3.29Å
206	I	22.4	Very low	23.5	Very low	156 Å²	156	155.5 Å²	155.5	80%	0.8	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-73.2	117.1	173.1	-62.3	174.8	0	0	0	107.5	T204	T204-I206 PolarHBondContact O-N 2.96Å; T204-I206 VanDerWaalsContact O-N 3.09Å
207	L	23.8	Very low	23.3	Very low	154 Å²	154	152.5 Å²	152.5	81%	0.806	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.7	122.3	169.9	-88	109.2	0	0	0	109.3	C205 N209	C205-L207 PolarHBondContact O-N 3.29Å; L207-N209 PolarHBondContact O-N 3.37Å
208	D	24.3	Very low	23.3	Very low	162 Å²	162	150.9 Å²	150.9	87%	0.866	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73	122.8	171.8	-113.1	-24	0	0	0	110.6	N210	D208-N210 PolarHBondContact O-N 2.83Å
209	N	22.2	Very low	23.3	Very low	151 Å²	151	154.8 Å²	154.8	81%	0.807	80%	0.8	S	S	*	*			trans	-78.8	110.7	179.5	-80.7	-41.3	0	0	0	110.4	L207	L207-N209 PolarHBondContact O-N 3.37Å
210	N	25.2	Very low	23.3	Very low	159 Å²	159	152.5 Å²	152.5	85%	0.85	80%	0.798	S	S	*	*			trans	-131	102	156.7	-89.5	-37	0	0	0	111	D208	D208-N210 PolarHBondContact O-N 2.83Å
211	K	23.8	Very low	23.1	Very low	179 Å²	179	153.5 Å²	153.5	78%	0.778	80%	0.795	S	S	*	*			trans	13.2	127.6	152.1	-70.8	-177.7	179.3	178.4	0	119.9
212	D	23.3	Very low	23.2	Very low	138 Å²	138	150 Å²	150	74%	0.738	79%	0.788	S	S	*	*			trans	66.5	89.1	136	-52	-25.7	0	0	0	117.7
213	Q	25.3	Very low	23.2	Very low	192 Å²	192	147.9 Å²	147.9	90%	0.897	79%	0.785	S	S	*	*				-172.2	115.2	121.5	-97.5	161.5	36.7	0	0	111.8	M215	Q213-M215 PolarHBondContact O-N 2.86Å
214	T	23.4	Very low	23.3	Very low	133 Å²	133	146 Å²	146	82%	0.816	78%	0.781	S	S	*	*			trans	-8.1	105.3	163.5	50.4	0	0	0	0	118.9
215	M	21.9	Very low	23.4	Very low	160 Å²	160	148.9 Å²	148.9	79%	0.788	79%	0.787	S	S	*	*				28.8	93.2	129.6	-71.8	-98.4	-178.8	0	0	117.9	Q213 T217	Q213-M215 PolarHBondContact O-N 2.86Å; M215-T217 HydrophobicContact SD-CG2 3.78Å
216	N	23.2	Very low	23.5	Very low	171 Å²	171	149.3 Å²	149.3	91%	0.914	79%	0.786	S	S	*	*			trans	-122.2	86.8	144.3	-92.1	-22.8	0	0	0	108.5	N218	N216-N218 PolarHBondContact O-N 3.31Å
217	T	23.7	Very low	23.6	Very low	105 Å²	105	146.5 Å²	146.5	64%	0.644	78%	0.779	S	S	*	*			trans	-72.9	103.1	172.1	49.4	0	0	0	0	109.2	M215	M215-T217 HydrophobicContact SD-CG2 3.78Å
218	N	24.3	Very low	23.6	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	78%	0.776	S	S	*	*			trans	-168	80.9	159.5	-87.4	-27.1	0	0	0	109.6	N216	N216-N218 PolarHBondContact O-N 3.31Å
219	L	23.9	Very low	23.7	Very low	153 Å²	153	144.6 Å²	144.6	80%	0.801	78%	0.776	S	S	*	*			trans	-132.6	75.6	162.1	-145.2	83.4	0	0	0	109.2
220	V	24.1	Very low	23.8	Very low	122 Å²	122	146 Å²	146	74%	0.739	78%	0.778	S	S	*	*			trans	-82.2	118.4	167.4	173.7	0	0	0	0	107.1	T222	V220-T222 PolarHBondContact O-N 2.94Å
221	Y	21.5	Very low	23.7	Very low	220 Å²	220	146.5 Å²	146.5	86%	0.863	78%	0.779	S	S	*	*			trans	-62.4	102.6	174.9	-78.6	-94.5	0	0	0	110.7
222	T	22.3	Very low	23.8	Very low	105 Å²	105	145.3 Å²	145.3	64%	0.644	78%	0.78	S	S	*	*			trans	-91.6	107.3	160.5	57.5	0	0	0	0	108.2	V220 N224	V220-T222 PolarHBondContact O-N 2.94Å; T222-N224 PolarHBondContact O-N 3.39Å
223	S	24.2	Very low	23.7	Very low	99 Å²	99	148.8 Å²	148.8	69%	0.692	79%	0.788	S	S	*	*			trans	-60.9	99.7	164.5	159	0	0	0	0	108.1	H225	S223-H225 PolarHBondContact O-N 3.35Å
224	N	23.6	Very low	23.7	Very low	135 Å²	135	143 Å²	143	72%	0.722	78%	0.78	S	S	*	*			trans	-67.8	74.6	172.6	-71.1	-15.4	0	0	0	110.1	T222 V226	T222-N224 PolarHBondContact O-N 3.39Å; N224-V226 PolarHBondContact O-N 2.8Å
225	H	24.5	Very low	23.7	Very low	162 Å²	162	145.5 Å²	145.5	75%	0.75	78%	0.783	S	S	*	*			trans	-81.2	94	157.7	-102.2	-75.3	0	0	0	107.1	S223 C227	S223-H225 PolarHBondContact O-N 3.35Å; H225-C227 PolarHBondContact O-N 3.29Å
226	V	23.6	Very low	23.8	Very low	128 Å²	128	144.7 Å²	144.7	78%	0.776	78%	0.781	S	S	*	*			trans	-66.2	99.2	167.6	178.7	0	0	0	0	107	N224	N224-V226 PolarHBondContact O-N 2.8Å
227	C	22.7	Very low	23.8	Very low	97 Å²	97	141.8 Å²	141.8	66%	0.655	77%	0.774	S	S	*	*			trans	-61.2	129.9	163.9	-72.6	0	0	0	0	107.9	H225 N229	H225-C227 PolarHBondContact O-N 3.29Å; C227-N229 PolarHBondContact O-N 2.95Å
228	P	25.3	Very low	23.6	Very low	113 Å²	113	146 Å²	146	73%	0.734	78%	0.784	S	S	*	*			trans	-64.7	122.3	176.2	25.8	-30.6	0	0	0	108.9	E230	P228-E230 PolarHBondContact O-N 3.14Å
229	N	25.6	Very low	23.4	Very low	162 Å²	162	147 Å²	147	87%	0.866	78%	0.784	S	S	*	*			trans	-61.6	97.6	175.2	-70.1	-24.2	0	0	0	109.7	C227	C227-N229 PolarHBondContact O-N 2.95Å
230	E	25.6	Very low	23.3	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	79%	0.785	S	S	*	*			trans	-84.3	119	147.3	-88	-178.9	167.5	0	0	107.6	P228 I232	P228-E230 PolarHBondContact O-N 3.14Å; E230-I232 PolarHBondContact O-N 3.21Å
231	L	22.4	Very low	23.2	Very low	168 Å²	168	148.8 Å²	148.8	88%	0.88	79%	0.786	S	S	*	*			trans	-63.3	88.2	-170.1	-168.4	80.1	0	0	0	111.1
232	I	25.6	Very low	23.2	Very low	154 Å²	154	143.3 Å²	143.3	79%	0.79	78%	0.78	S	S	*	*			trans	-121.5	106.5	165.4	-56.6	178.7	0	0	0	107.1	E230 G234	E230-I232 PolarHBondContact O-N 3.21Å; I232-G234 PolarHBondContact O-N 2.91Å
233	K	21.5	Very low	23.2	Very low	212 Å²	212	147.9 Å²	147.9	92%	0.922	79%	0.791	S	S	*	*			trans	-58.1	100.1	173.3	-76.3	179.3	173.6	-179.8	0	109.1
234	G	26.1	Very low	23.1	Very low	70 Å²	70	149.8 Å²	149.8	72%	0.722	80%	0.799	S	S	*	*			trans	-131.3	102.6	167.6	0	0	0	0	0	108.3	I232	I232-G234 PolarHBondContact O-N 2.91Å
235	E	21.9	Very low	23.1	Very low	186 Å²	186	152.8 Å²	152.8	87%	0.869	81%	0.806	S	S	*	*			trans	-69.2	149.5	174.3	-69.6	175	156.8	0	0	110.5
236	N	24.3	Very low	23.1	Very low	143 Å²	143	151.6 Å²	151.6	77%	0.765	81%	0.805	S	S	*	*			trans	101.3	72	173.6	-52.5	-24.6	0	0	0	116.7
237	S	23.2	Very low	23.2	Very low	109 Å²	109	152.6 Å²	152.6	76%	0.762	81%	0.806	S	S	*	*			trans	-78.4	115.1	160.4	55.3	0	0	0	0	111.1
238	F	19.5	Very low	23.2	Very low	194 Å²	194	157.4 Å²	157.4	85%	0.851	82%	0.816	S	S	*	*			trans	-94.8	128.1	173.8	-93.7	-93.8	0	0	0	111.5
239	H	20.8	Very low	23	Very low	174 Å²	174	158.3 Å²	158.3	81%	0.806	82%	0.819	S	S	*	*			trans	-86.1	127.5	177.1	-86.3	-91.8	0	0	0	111.7
240	I	20.6	Very low	22.8	Very low	160 Å²	160	160 Å²	160	82%	0.821	82%	0.824	S	S	*	*			trans	-98.2	112.9	173.2	-62.3	172.5	0	0	0	108.2
241	I	22.2	Very low	22.6	Very low	151 Å²	151	156.2 Å²	156.2	77%	0.774	82%	0.818	S	S	*	*			trans	-99	105.2	174	-60.4	173	0	0	0	108.1
242	S	22.1	Very low	22.6	Very low	105 Å²	105	157 Å²	157	73%	0.734	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-91.2	120.6	172.8	53.7	0	0	0	0	110.6
243	K	21.4	Very low	22.5	Very low	202 Å²	202	155.9 Å²	155.9	88%	0.878	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-93.5	133.6	170.1	-80.6	-177.4	175.5	179.4	0	110.8
244	T	22.2	Very low	22.4	Very low	138 Å²	138	155.4 Å²	155.4	85%	0.847	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82	138.7	177.8	44.8	0	0	0	0	111.7
245	F	24.6	Very low	22.3	Very low	199 Å²	199	159.3 Å²	159.3	87%	0.873	82%	0.821	S	S	*	*			trans	-143.3	143.4	164.5	-152.5	-96.5	0	0	0	110.4
246	N	25.4	Very low	22.4	Very low	136 Å²	136	155.6 Å²	155.6	73%	0.727	82%	0.815	S	S	*	*			trans	-50.6	128.7	-157.6	-69.4	-14	0	0	0	117.7
247	D	24.9	Very low	22.4	Very low	149 Å²	149	155.4 Å²	155.4	80%	0.797	82%	0.815	S	S	*	*	S	Bend	trans	27.4	120.5	141.7	-61	-29.7	0	0	0	120.4
248	K	21.6	Very low	22.4	Very low	198 Å²	198	159.7 Å²	159.7	86%	0.861	82%	0.823	S	S	*	*			trans	84.4	94.7	171.1	-58.9	176.6	177.9	174.6	0	115
249	T	22.4	Very low	22.5	Very low	132 Å²	132	159 Å²	159	81%	0.81	82%	0.822	S	S	*	*				174.2	142.4	100.7	35.8	0	0	0	0	111.5	S251	T249-S251 PolarHBondContact O-N 2.94Å
250	M	21.8	Very low	22.6	Very low	197 Å²	197	159.5 Å²	159.5	97%	0.97	83%	0.827	S	S	*	*			trans	-56.1	116.1	172.2	-166.4	161.1	72.6	0	0	110.4
251	S	20.9	Very low	22.6	Very low	103 Å²	103	157.6 Å²	157.6	72%	0.72	82%	0.822	S	S	*	*			trans	-142.8	129.3	168.5	62.6	0	0	0	0	112.6	T249 V253	T249-S251 PolarHBondContact O-N 2.94Å; S251-V253 PolarHBondContact O-N 3.03Å
252	M	21.4	Very low	22.5	Very low	186 Å²	186	155.8 Å²	155.8	92%	0.916	82%	0.822	S	S	*	*			trans	-57.2	129.1	174.1	-71.9	-151.5	-69.5	0	0	110.8	K254	M252-K254 PolarHBondContact O-N 3.23Å
253	V	24.4	Very low	22.4	Very low	129 Å²	129	158.2 Å²	158.2	78%	0.782	83%	0.827	S	S	*	*			trans	-65.1	103.3	175.2	177.8	0	0	0	0	109.1	S251 L255	S251-V253 PolarHBondContact O-N 3.03Å; V253-L255 HydrophobicContact CG1-CD1 3.7Å
254	K	19.4	Very low	22.5	Very low	202 Å²	202	157 Å²	157	88%	0.878	82%	0.824	S	S	*	*			trans	-90.9	102.9	168.7	-163.2	174.7	-174.7	177.6	0	107.6	M252	M252-K254 PolarHBondContact O-N 3.23Å
255	L	23.9	Very low	22.4	Very low	153 Å²	153	157.6 Å²	157.6	80%	0.801	83%	0.828	S	S	*	*			trans	-76.3	120.8	175.3	-124.9	79.4	0	0	0	109.2	V253	V253-L255 HydrophobicContact CG1-CD1 3.7Å
256	S	22.8	Very low	22.3	Very low	107 Å²	107	155.6 Å²	155.6	75%	0.748	82%	0.824	S	S	*	*			trans	-95	109.5	177	54.3	0	0	0	0	112
257	N	25.8	Very low	22.1	Very low	140 Å²	140	158 Å²	158	75%	0.749	83%	0.831	S	S	*	*			trans	53.5	99.9	132.8	-60	-1.8	0	0	0	120
258	E	22.3	Very low	22.2	Very low	199 Å²	199	156.3 Å²	156.3	93%	0.93	83%	0.829	S	S	*	*			trans	-72.7	109.3	145.2	-68.5	171.4	163.4	0	0	108.3
259	Q	22.5	Very low	22.2	Very low	179 Å²	179	152.5 Å²	152.5	84%	0.836	83%	0.827	S	S	*	*			trans	-88.1	109.2	171.3	-81.5	-176	-37.9	0	0	109.3
260	M	21.9	Very low	22.3	Very low	184 Å²	184	154.8 Å²	154.8	91%	0.906	83%	0.83	S	S	*	*			trans	-90.3	124.3	163.3	-154	171.3	-177.8	0	0	107.7	C262	M260-C262 PolarHBondContact O-N 3.11Å
261	V	20.8	Very low	22.3	Very low	121 Å²	121	150 Å²	150	73%	0.733	82%	0.817	S	S	*	*			trans	-73.9	110	-171.5	177.6	0	0	0	0	109.8
262	C	20.4	Very low	22.6	Very low	113 Å²	113	150.9 Å²	150.9	76%	0.764	82%	0.823	S	S	*	*			trans	-113	111.9	162	-65.5	0	0	0	0	107.7	M260 E264	M260-C262 PolarHBondContact O-N 3.11Å; C262-E264 PolarHBondContact O-N 3.41Å
263	N	20.6	Very low	22.7	Very low	156 Å²	156	149.8 Å²	149.8	83%	0.834	82%	0.821	S	S	*	*			trans	-72.8	102.5	175.1	-72.2	-16.4	0	0	0	108.8
264	E	23	Very low	22.8	Very low	176 Å²	176	149.5 Å²	149.5	82%	0.822	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-99.9	120.4	162.4	-79.8	-176.7	162.2	0	0	108.9	C262 I266	C262-E264 PolarHBondContact O-N 3.41Å; E264-I266 PolarHBondContact O-N 3.27Å
265	T	19.9	Very low	23	Very low	150 Å²	150	145.1 Å²	145.1	92%	0.92	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-67.8	120	170.5	31.3	0	0	0	0	110
266	I	22.7	Very low	23	Very low	157 Å²	157	143 Å²	143	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-94.3	121.4	179.3	-63.8	168.6	0	0	0	108.3	E264	E264-I266 PolarHBondContact O-N 3.27Å
267	E	21	Very low	23.3	Very low	186 Å²	186	146.3 Å²	146.3	87%	0.869	82%	0.821	S	S	*	*			trans	-114.9	151	156.5	-90.5	-164.9	163.5	0	0	109.9
268	P	27	Very low	23.2	Very low	115 Å²	115	146.4 Å²	146.4	75%	0.747	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-97.2	144.8	-141.7	14.8	1.6	0	0	0	114.5
269	S	22.1	Very low	23.5	Very low	117 Å²	117	145.4 Å²	145.4	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-52.8	135	169.7	51.2	0	0	0	0	114.5
270	M	23.1	Very low	23.8	Very low	180 Å²	180	148.4 Å²	148.4	89%	0.887	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-89.2	140.3	154	-78.4	-140.1	77.6	0	0	111.3
271	S	23.4	Very low	24.2	Very low	98 Å²	98	149.4 Å²	149.4	69%	0.685	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-77.3	143.7	-172.9	42.6	0	0	0	0	113.7
272	S	26	Very low	24.7	Very low	121 Å²	121	147.6 Å²	147.6	85%	0.846	83%	0.83	S	S	*	*			trans	-149.1	127.5	143.5	52.8	0	0	0	0	110.2
273	N	23.8	Very low	25.1	Very low	163 Å²	163	154.2 Å²	154.2	87%	0.872	84%	0.839	S	S	*	*			trans	-76.7	135.3	-173.5	-68.6	-36.3	0	0	0	110.9
274	S	27	Very low	25.6	Very low	123 Å²	123	150.3 Å²	150.3	86%	0.86	84%	0.836	S	S	*	*			trans	-144.9	126.2	145.3	55.5	0	0	0	0	109.8
275	S	22.8	Very low	26.1	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	84%	0.841	S	S	*	*			trans	-80.7	136.4	-175.1	45.6	0	0	0	0	111.9
276	S	24.9	Very low	26.8	Very low	108 Å²	108	156.2 Å²	156.2	76%	0.755	84%	0.839	S	S	*	*				157.7	139	111.3	-86.5	0	0	0	0	113.6
277	E	28.5	Very low	27.7	Very low	176 Å²	176	154.7 Å²	154.7	82%	0.822	84%	0.839	S	S	*	*			trans	80.9	79.3	153.6	-69.7	-178.3	159.8	0	0	121.5
278	N	24.7	Very low	28.5	Very low	143 Å²	143	150.2 Å²	150.2	77%	0.765	83%	0.834	S	S	*	*				38.7	97.2	111.9	-63.7	-38.6	0	0	0	119.6
279	L	28.5	Very low	29.2	Very low	178 Å²	178	150.6 Å²	150.6	93%	0.932	84%	0.837	S	S	*	*			trans	-132.5	107.4	137.2	-138	89.3	0	0	0	109.9	K281	L279-K281 PolarHBondContact O-N 2.76Å
280	R	27.4	Very low	30.1	Very low	241 Å²	241	150.7 Å²	150.7	91%	0.909	84%	0.835	S	S	*	*			trans	-64.9	117.8	-177.6	-72.2	174.3	170.7	179.4	-2.9	111.3
281	K	30.1	Very low	30.8	Very low	206 Å²	206	147.8 Å²	147.8	90%	0.896	83%	0.829	S	S	*	*			trans	-113.4	116.9	154.8	-86.6	-178.1	175.5	176.1	0	108.9	L279	L279-K281 PolarHBondContact O-N 2.76Å
282	G	30.9	Very low	31.4	Very low	82 Å²	82	148.9 Å²	148.9	85%	0.845	83%	0.834	S	S	*	*			trans	-62.9	143.3	-175.3	0	0	0	0	0	113.8
283	R	30.6	Very low	31.9	Very low	252 Å²	252	149.2 Å²	149.2	95%	0.951	83%	0.833	S	S	*	*			trans	-75.6	113.7	176.9	-71	172.8	176.5	159.8	-2.4	110.3
284	G	30.9	Very low	32.3	Very low	75 Å²	75	147.2 Å²	147.2	77%	0.773	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-92	125.6	164.6	0	0	0	0	0	110.7
285	R	33.6	Very low	32.2	Very low	247 Å²	247	151.4 Å²	151.4	93%	0.932	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-67.9	136.1	179.7	-72.5	176.3	172.6	174.5	-3.2	111.1
286	K	34	Very low	32.5	Very low	203 Å²	203	154.5 Å²	154.5	88%	0.883	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-70.8	134.6	176.7	-72.6	-179	176.9	-179.5	0	111
287	P	42	Very low	32.6	Very low	124 Å²	124	158.9 Å²	158.9	81%	0.805	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-77.3	153.7	174.1	-6.8	23.1	0	0	0	112.7
288	A	37.6	Very low	32.3	Very low	93 Å²	93	158.1 Å²	158.1	77%	0.769	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-69.2	147.4	-178.4	0	0	0	0	0	113.1
289	P	42	Very low	32.3	Very low	122 Å²	122	157.9 Å²	157.9	79%	0.792	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-72.9	145.6	-174.4	27.5	-33	0	0	0	113.4
290	P	40.6	Very low	32	Very low	120 Å²	120	154.9 Å²	154.9	78%	0.779	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-78	152.1	-178.2	30.2	-33.7	0	0	0	113.5
291	P	37.4	Very low	31.9	Very low	118 Å²	118	151.5 Å²	151.5	77%	0.766	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-76.7	156.2	-175.5	29.8	-33.6	0	0	0	114
292	P	36.7	Very low	31.5	Very low	121 Å²	121	149.9 Å²	149.9	79%	0.786	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-77.1	152.8	-166.9	29.3	-34.3	0	0	0	114.7
293	P	36.6	Very low	31.1	Very low	128 Å²	128	149.9 Å²	149.9	83%	0.831	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-83.1	140.6	-169.9	31.4	-31.6	0	0	0	113.8
294	S	31.8	Very low	30.8	Very low	121 Å²	121	145.2 Å²	145.2	85%	0.846	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-81.7	134.1	-179.2	47.2	0	0	0	0	112.7
295	K	24.9	Very low	30.6	Very low	211 Å²	211	149.7 Å²	149.7	92%	0.917	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.7	124.4	176.7	-66.9	175.3	177.9	177.7	0	110.2
296	L	29.9	Very low	30	Very low	176 Å²	176	144.6 Å²	144.6	92%	0.921	81%	0.811	S	S	*	*			trans	-114.3	126.7	168.2	-149.7	76.6	0	0	0	110.2
297	K	25.7	Very low	29.5	Very low	200 Å²	200	143.3 Å²	143.3	87%	0.87	81%	0.808	S	S	*	*			trans	-80.6	147.1	-173.4	-90.4	175.8	171.1	178.5	0	112.4
298	N	22.1	Very low	28.7	Very low	159 Å²	159	146.8 Å²	146.8	85%	0.85	81%	0.813	S	S	*	*			trans	-54.3	139.5	169.2	-55.5	-18.2	0	0	0	113.5
299	T	25.3	Very low	27.9	Very low	139 Å²	139	152.1 Å²	152.1	85%	0.853	82%	0.819	S	S	*	*			trans	-143.1	117	153.4	28	0	0	0	0	110.1
300	S	21.6	Very low	26.8	Very low	115 Å²	115	151.2 Å²	151.2	80%	0.804	82%	0.816	S	S	*	*			trans	-72.2	132.2	166.4	48.8	0	0	0	0	110.9
301	I	26.2	Very low	25.8	Very low	170 Å²	170	154.2 Å²	154.2	87%	0.872	82%	0.82	S	S	*	*			trans	-140	135.9	156.4	-62.3	-174.4	0	0	0	110
302	H	22.1	Very low	25.4	Very low	171 Å²	171	157.2 Å²	157.2	79%	0.792	83%	0.828	S	S	*	*			trans	-75.3	154.4	-170.5	-126.9	-88.6	0	0	0	113.8
303	S	21.9	Very low	24.5	Very low	82 Å²	82	159.5 Å²	159.5	57%	0.573	83%	0.828	S	S	*	*			trans	-12.5	148.9	154.4	59.9	0	0	0	0	119.3
304	I	25	Very low	23.9	Very low	154 Å²	154	162 Å²	162	79%	0.79	83%	0.829	S	S	*	*				-178.6	126.9	123.8	-90.9	152.3	0	0	0	112.1
305	H	25.7	Very low	23.4	Very low	169 Å²	169	164.7 Å²	164.7	78%	0.782	83%	0.828	S	S	*	*			trans	62.8	126.3	146.3	-88	-88.5	0	0	0	126.5
306	D	20.4	Very low	23.4	Very low	140 Å²	140	161.4 Å²	161.4	75%	0.749	82%	0.82	S	S	*	*			trans	-54.9	140.3	151.8	-61.2	-63.4	0	0	0	114.5
307	H	23.4	Very low	22.9	Very low	177 Å²	177	160.7 Å²	160.7	82%	0.819	82%	0.816	S	S	*	*				161.5	120.2	122.2	-103.7	-78	0	0	0	110.5
308	Q	26.4	Very low	22.8	Very low	196 Å²	196	160.1 Å²	160.1	92%	0.916	81%	0.813	S	S	*	*				162.2	115.7	125.2	-90.1	176.8	-15	0	0	110.7
309	K	19.3	Very low	22.7	Very low	205 Å²	205	158.1 Å²	158.1	89%	0.891	81%	0.812	S	S	*	*			trans	-122.6	106.1	178.6	174.8	-172.7	-175.9	-178.4	0	106.4
310	S	19.5	Very low	22.7	Very low	104 Å²	104	157.2 Å²	157.2	73%	0.727	81%	0.812	S	S	*	*			trans	172.4	130.7	149.5	54.1	0	0	0	0	111.8
311	Q	20.8	Very low	22.7	Very low	183 Å²	183	160.7 Å²	160.7	86%	0.855	82%	0.815	S	S	*	*			trans	81.5	100.7	158.3	-58.1	174	9.7	0	0	118.1
312	L	27.2	Very low	22.6	Very low	180 Å²	180	160.1 Å²	160.1	94%	0.942	81%	0.814	S	S	*	*				-153.8	132	113.6	-134	92.3	0	0	0	109.9
313	E	19.7	Very low	22.7	Very low	169 Å²	169	159.9 Å²	159.9	79%	0.79	82%	0.817	S	S	*	*			trans	-71.5	156.8	-175.2	-76.8	159.5	144.1	0	0	114.1
314	E	22.2	Very low	22.8	Very low	180 Å²	180	163.3 Å²	163.3	84%	0.841	83%	0.828	S	S	*	*			trans	24.8	112.9	141.2	-67	179.5	142.8	0	0	118.7
315	Q	23.1	Very low	22.7	Very low	178 Å²	178	163.5 Å²	163.5	83%	0.832	83%	0.831	S	S	*	*			trans	-143.8	118.2	134.2	-101.6	-179.3	13.2	0	0	111.3
316	N	23.2	Very low	22.6	Very low	142 Å²	142	164.7 Å²	164.7	76%	0.759	83%	0.834	S	S	*	*			trans	86.8	87.1	140	-59	-30	0	0	0	120.1
317	I	20.8	Very low	22.8	Very low	161 Å²	161	166.5 Å²	166.5	83%	0.826	84%	0.838	S	S	*	*			trans	-48	123.1	143	-62	158.7	0	0	0	111.1
318	K	22.2	Very low	22.9	Very low	188 Å²	188	165.6 Å²	165.6	82%	0.817	83%	0.834	S	S	*	*				171.2	132	123.7	-93.2	174.2	-173.2	178.2	0	111.4
319	S	21.7	Very low	22.9	Very low	118 Å²	118	161 Å²	161	83%	0.825	82%	0.824	S	S	*	*			trans	109.4	135.3	163.5	76.8	0	0	0	0	115.9
320	S	24.8	Very low	23.1	Very low	120 Å²	120	161.6 Å²	161.6	84%	0.839	82%	0.821	S	S	*	*			trans	92	58.5	175.4	69.9	0	0	0	0	119
321	E	22	Very low	23.3	Very low	187 Å²	187	166.2 Å²	166.2	87%	0.874	83%	0.828	S	S	*	*			trans	-84.4	117.5	138.8	-74.6	-179.4	155.7	0	0	108.4
322	N	22.5	Very low	23.4	Very low	159 Å²	159	164.4 Å²	164.4	85%	0.85	82%	0.822	S	S	*	*			trans	165.1	72	148.3	-91.5	-23.8	0	0	0	111.7
323	I	25.8	Very low	23.3	Very low	166 Å²	166	160.8 Å²	160.8	85%	0.851	81%	0.812	S	S	*	*			trans	-144.4	83.8	154.4	-54.8	-180	0	0	0	108
324	N	22.4	Very low	23.4	Very low	153 Å²	153	159.2 Å²	159.2	82%	0.818	81%	0.808	S	S	*	*			trans	-144.8	99.1	161.3	-84.5	-34.1	0	0	0	106.2
325	N	23.4	Very low	23.4	Very low	159 Å²	159	156.1 Å²	156.1	85%	0.85	81%	0.805	S	S	*	*			trans	160.2	83.8	152.6	-79.7	-19.5	0	0	0	109.7
326	F	24.5	Very low	23.3	Very low	194 Å²	194	156.2 Å²	156.2	85%	0.851	80%	0.803	S	S	*	*			trans	-136	97.2	155.8	-164.2	-102.4	0	0	0	108.4
327	Q	24.2	Very low	23.4	Very low	177 Å²	177	155.5 Å²	155.5	83%	0.827	80%	0.803	S	S	*	*			trans	-96.3	96.9	-172.8	-152.7	175.7	-61.4	0	0	108.7	S329	Q327-S329 PolarHBondContact O-N 3.31Å
328	E	25.9	Very low	23.6	Very low	158 Å²	158	153.4 Å²	153.4	74%	0.738	80%	0.797	S	S	*	*			trans	-72.3	112.7	-177.5	-161.7	173.7	-164.2	0	0	111.3	R330	E328-R330 PolarHBondContact O-N 3.04Å
329	S	25.3	Very low	23.8	Very low	100 Å²	100	150.3 Å²	150.3	70%	0.699	79%	0.794	S	S	*	*			trans	-89.6	95.7	-172.6	-62.7	0	0	0	0	111.6	Q327 K331	Q327-S329 PolarHBondContact O-N 3.31Å; S329-K331 PolarHBondContact O-N 3.46Å
330	R	24.5	Very low	24.1	Very low	218 Å²	218	152.7 Å²	152.7	82%	0.823	79%	0.793	S	S	*	*			trans	-77	94.2	165.7	-67.2	-174.8	-152.4	178	5	110	E328 I332	E328-R330 PolarHBondContact O-N 3.04Å; R330-I332 PolarHBondContact O-N 3.07Å
331	K	23.8	Very low	24.3	Very low	200 Å²	200	154.4 Å²	154.4	87%	0.87	79%	0.792	S	S	*	*			trans	-75.1	103.5	169.2	-78.1	-179.4	176.6	177.9	0	109.5	S329	S329-K331 PolarHBondContact O-N 3.46Å
332	I	23.1	Very low	24.7	Very low	145 Å²	145	149.1 Å²	149.1	74%	0.744	79%	0.788	S	S	*	*			trans	-88.3	104.6	159	-63.5	171	0	0	0	105.3	R330 I334	R330-I332 PolarHBondContact O-N 3.07Å; I332-I334 VanDerWaalsContact C-N 3.34Å; I332-I334 HydrophobicContact CG2-CG1 4.04Å; I332-I334 PolarHBondContact O-N 3.46Å
333	S	23.7	Very low	25.1	Very low	105 Å²	105	150.9 Å²	150.9	73%	0.734	79%	0.791	S	S	*	*			trans	-69.7	89.1	175	43.2	0	0	0	0	109.9	C335	S333-C335 PolarHBondContact O-N 3.32Å
334	I	22.2	Very low	25.3	Very low	136 Å²	136	148.9 Å²	148.9	70%	0.697	78%	0.782	S	S	*	*			trans	-86	91.9	160.4	-57.9	174.1	0	0	0	105.3	I332 K336	I332-I334 VanDerWaalsContact C-N 3.34Å; I332-I334 HydrophobicContact CG2-CG1 4.04Å; I332-I334 PolarHBondContact O-N 3.46Å; I334-K336 VanDerWaalsContact C-N 3.25Å; I334-K336 PolarHBondContact O-N 3.04Å
335	C	22.2	Very low	26	Very low	115 Å²	115	148.6 Å²	148.6	78%	0.777	78%	0.78	S	S	*	*			trans	-66.6	88.7	170.4	-68.7	0	0	0	0	108.8	S333	S333-C335 PolarHBondContact O-N 3.32Å
336	K	21.4	Very low	26.6	Very low	180 Å²	180	149.1 Å²	149.1	78%	0.783	78%	0.777	S	S	*	*			trans	-85.8	101.7	158.8	-102.8	-178.3	172.5	-177.7	0	106.5	I334 V338	I334-K336 VanDerWaalsContact C-N 3.25Å; I334-K336 PolarHBondContact O-N 3.04Å; K336-V338 PolarHBondContact O-N 2.86Å
337	V	24.7	Very low	27.1	Very low	127 Å²	127	144 Å²	144	77%	0.77	76%	0.762	S	S	*	*			trans	-66.8	102.6	167.7	-178.7	0	0	0	0	106.6	T339	V337-T339 HydrophobicContact CG1-CG2 4.05Å
338	V	25	Very low	27.8	Very low	116 Å²	116	140.8 Å²	140.8	70%	0.703	75%	0.749	S	S	*	*			trans	-91.9	104.4	169.6	177	0	0	0	0	105.4	K336 E340	K336-V338 PolarHBondContact O-N 2.86Å; V338-E340 PolarHBondContact O-N 3.28Å
339	T	25.6	Very low	28.2	Very low	124 Å²	124	141.8 Å²	141.8	76%	0.761	75%	0.751	S	S	*	*			trans	-79.1	102.1	174.6	48.6	0	0	0	0	108.8	V337	V337-T339 HydrophobicContact CG1-CG2 4.05Å
340	E	29.2	Very low	28.6	Very low	168 Å²	168	143.7 Å²	143.7	79%	0.785	75%	0.753	S	S	*	*			trans	-89.5	114.3	158.5	-80.2	-178.4	168.8	0	0	108.4	V338	V338-E340 PolarHBondContact O-N 3.28Å
341	N	29.2	Very low	29.2	Very low	155 Å²	155	140 Å²	140	83%	0.829	75%	0.749	S	S	*	*	S	Bend	trans	53.6	88.1	148.2	-54.3	-18.3	0	0	0	118
342	G	29	Very low	29.6	Very low	76 Å²	76	139 Å²	139	78%	0.784	75%	0.748	S	S	*	*	S	Bend		61.8	82.1	123.2	0	0	0	0	0	118.9
343	E	31.2	Very low	30.1	Very low	196 Å²	196	141.7 Å²	141.7	92%	0.916	75%	0.754	S	S	*	*			trans	-170.7	19.5	139.1	-109.4	172.8	-166	0	0	115.1
344	L	30.8	Very low	30.4	Very low	125 Å²	125	146 Å²	146	65%	0.654	76%	0.759	S	S	*	*			trans	-107.2	16.1	-174.3	-158	67.1	0	0	0	115.8	Q346	L344-Q346 VanDerWaalsContact C-N 3.33Å; L344-Q346 PolarHBondContact O-N 3.28Å
345	N	36.2	Very low	31	Very low	147 Å²	147	147.2 Å²	147.2	79%	0.786	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-3.1	-178.9	-79.9	-13	0	0	0	114.7
346	Q	37.4	Very low	31.5	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-26.9	-179.9	-145.9	143.2	-3.5	0	0	113	L344 I348	L344-Q346 VanDerWaalsContact C-N 3.33Å; L344-Q346 PolarHBondContact O-N 3.28Å; Q346-I348 PolarHBondContact O-N 2.92Å
347	T	35	Very low	32.1	Very low	85 Å²	85	152 Å²	152	52%	0.521	78%	0.778	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-29.9	-178.8	-27.6	0	0	0	0	112.5	K349 N350	T347-K349 VanDerWaalsContact C-N 3.32Å; T347-K349 PolarHBondContact O-N 3.34Å; T347-N350 PolarHBondContact O-N 3.42Å
348	I	38.8	Very low	32.7	Very low	111 Å²	111	154.2 Å²	154.2	57%	0.569	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-70	-26.7	-177.7	-62.5	177	0	0	0	112.3	Q346 N350	Q346-I348 PolarHBondContact O-N 2.92Å; I348-N350 VanDerWaalsContact C-N 3.31Å; I348-N350 PolarHBondContact O-N 3.43Å
349	K	32.9	Very low	33.2	Very low	179 Å²	179	154.6 Å²	154.6	78%	0.778	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-72.6	-20.9	-179.6	-84.6	-175.1	176.4	177.7	0	114.2	T347	T347-K349 VanDerWaalsContact C-N 3.32Å; T347-K349 PolarHBondContact O-N 3.34Å
350	N	35.1	Very low	34.2	Very low	139 Å²	139	155.9 Å²	155.9	74%	0.743	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-91.5	-10.9	-175.7	-70.6	-11.4	0	0	0	114.2	T347 I348	T347-N350 PolarHBondContact O-N 3.42Å; I348-N350 VanDerWaalsContact C-N 3.31Å; I348-N350 PolarHBondContact O-N 3.43Å
351	L	37.2	Very low	34.8	Very low	141 Å²	141	156.7 Å²	156.7	74%	0.738	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-81.3	-13.9	-178.8	-88.9	156.6	0	0	0	114.4	K353	L351-K353 PolarHBondContact O-N 2.91Å
352	H	32.3	Very low	35.3	Very low	180 Å²	180	154.1 Å²	154.1	83%	0.833	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-87.9	9.6	-172.6	-104.1	-69.6	0	0	0	116.6
353	K	32.8	Very low	35.9	Very low	200 Å²	200	157.2 Å²	157.2	87%	0.87	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-119	12.6	-169.8	-131.8	179.9	-175	-179.3	0	117.6	L351	L351-K353 PolarHBondContact O-N 2.91Å
354	K	29.1	Very low	36.3	Very low	196 Å²	196	156 Å²	156	85%	0.852	76%	0.756	S	S	*	*			trans	-133.9	28.9	-173.8	-138.5	-176.6	-179.9	-177.4	0	118.5
355	D	35.1	Very low	36.7	Very low	161 Å²	161	158.5 Å²	158.5	86%	0.861	76%	0.762	S	S	*	*			trans	-121.7	77.8	172.6	-70.5	-35.7	0	0	0	112.7
356	Q	33.5	Very low	36.8	Very low	191 Å²	191	154.9 Å²	154.9	89%	0.893	75%	0.747	S	S	*	*			trans	-144.1	78.6	166.3	-100.9	-174.7	-0.7	0	0	110.2
357	K	34.4	Very low	37	Very low	205 Å²	205	152 Å²	152	89%	0.891	73%	0.733	S	S	*	*			trans	167.1	89.6	149.3	-96	167.5	178.5	-178.9	0	109.9
358	L	35.9	Very low	37.6	Very low	173 Å²	173	155.9 Å²	155.9	91%	0.906	75%	0.75	S	S	*	*			trans	-134.9	140.1	162.4	-162.2	69.4	0	0	0	109.6
359	N	36.6	Very low	37.9	Very low	124 Å²	124	157.1 Å²	157.1	66%	0.663	76%	0.757	S	S	*	*			trans	-79.1	136	-146.6	-66.5	-38.4	0	0	0	116.1	F361 T362	N359-F361 PolarHBondContact O-N 2.95Å; N359-T362 PolarHBondContact O-N 2.95Å
360	L	45.6	Very low	38.4	Very low	151 Å²	151	155.9 Å²	155.9	79%	0.791	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-22	177.8	-172.7	67.6	0	0	0	115.2	T362 Y363	L360-T362 PolarHBondContact O-N 3.28Å; L360-Y363 WeakPolarHBondContact O-CB 3.48Å; L360-Y363 PolarHBondContact O-N 3.29Å
361	F	42.1	Very low	38.9	Very low	185 Å²	185	152.1 Å²	152.1	81%	0.811	73%	0.732	S	S	*	*	H	α-helix	trans	-72.3	-26.8	-175.8	-123.1	-92.7	0	0	0	113.8	N359 Y363	N359-F361 PolarHBondContact O-N 2.95Å; F361-Y363 VanDerWaalsContact C-N 3.33Å
362	T	40.1	Very low	39.6	Very low	101 Å²	101	146.9 Å²	146.9	62%	0.62	71%	0.712	S	S	*	*	H	α-helix	trans	-74.9	-26.1	177.1	-48.5	0	0	0	0	111.8	N359 L360 F364 C366	N359-T362 PolarHBondContact O-N 2.95Å; L360-T362 PolarHBondContact O-N 3.28Å; T362-F364 PolarHBondContact O-N 3.49Å; T362-C366 PolarHBondContact O-N 2.89Å
363	Y	42.6	Very low	40.6	Very low	141 Å²	141	144.2 Å²	144.2	55%	0.553	70%	0.698	S	S	*	*	H	α-helix	trans	-65.3	-38.5	178.5	-163	-98.6	0	0	0	112	L360 F361 H367	L360-Y363 WeakPolarHBondContact O-CB 3.48Å; L360-Y363 PolarHBondContact O-N 3.29Å; F361-Y363 VanDerWaalsContact C-N 3.33Å; Y363-H367 PolarHBondContact O-N 3.29Å
364	F	39.4	Very low	41.5	Very low	172 Å²	172	139.1 Å²	139.1	75%	0.754	68%	0.677	S	S	*	*	H	α-helix	trans	-74.6	-33	-175.5	-128.4	-87.7	0	0	0	113.6	T362	T362-F364 PolarHBondContact O-N 3.49Å
365	K	38.2	Very low	43	Very low	176 Å²	176	136 Å²	136	77%	0.765	67%	0.665	S	S	*	*	H	α-helix	trans	-77.5	-25.5	178.2	-157.3	174.1	-177.5	178	0	112.7
366	C	39.6	Very low	44.6	Very low	71 Å²	71	129 Å²	129	48%	0.48	63%	0.631	S	S	.	*	H	α-helix	trans	-77.5	-31.6	172.2	-94.2	0	0	0	0	113	T362 L368 L369 W370	T362-C366 PolarHBondContact O-N 2.89Å; C366-L368 PolarHBondContact O-N 2.7Å; C366-L369 CarbonylContact O-C 3.58Å; C366-L369 PolarHBondContact O-N 3Å; C366-L369 VanDerWaalsContact O-N 3.17Å; C366-W370 HydrophobicContact CB-CE3 3.99Å; C366-W370 HydrophobicContact CB-CZ3 4.02Å; C366-W370 PolarHBondContact O-N 3.03Å; C366-W370 VanDerWaalsContact O-N 3.13Å
367	H	40.2	Very low	47.1	Very low	109 Å²	109	122.1 Å²	122.1	51%	0.505	60%	0.601	S	S	.	*	H	α-helix	trans	-69.5	-29.8	-172.7	-146.1	-60.9	0	0	0	114.4	Y363 L369 W370	Y363-H367 PolarHBondContact O-N 3.29Å; H367-L369 VanDerWaalsContact C-N 3.31Å; H367-W370 WeakPolarHBondContact O-CB 3.47Å; H367-W370 PolarHBondContact O-N 3.4Å
368	L	48.6	Very low	49.7	Very low	168 Å²	168	114.5 Å²	114.5	88%	0.88	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-16.7	176	-146.2	77.9	0	0	0	113	C366	C366-L368 PolarHBondContact O-N 2.7Å
369	L	45	Very low	52.3	Low	136 Å²	136	106.2 Å²	106.2	71%	0.712	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	2.2	168.3	-81.9	96.8	0	0	0	113.1	C366 H367 C371 G372	C366-L369 CarbonylContact O-C 3.58Å; C366-L369 PolarHBondContact O-N 3Å; C366-L369 VanDerWaalsContact O-N 3.17Å; H367-L369 VanDerWaalsContact C-N 3.31Å; L369-C371 PolarHBondContact O-N 3.04Å; L369-G372 PolarHBondContact O-N 3.4Å
370	W	41.9	Very low	55	Low	153 Å²	153	100.5 Å²	100.5	58%	0.58	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	25.7	-171.7	-143.9	-55.2	0	0	0	115.2	C366 H367	C366-W370 HydrophobicContact CB-CE3 3.99Å; C366-W370 HydrophobicContact CB-CZ3 4.02Å; C366-W370 PolarHBondContact O-N 3.03Å; C366-W370 VanDerWaalsContact O-N 3.13Å; H367-W370 WeakPolarHBondContact O-CB 3.47Å; H367-W370 PolarHBondContact O-N 3.4Å
371	C	45.8	Very low	57.2	Low	60 Å²	60	95.6 Å²	95.6	41%	0.405	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	39.5	154.6	-98.5	0	0	0	0	110.7	L369 T381	L369-C371 PolarHBondContact O-N 3.04Å; C371-T381 HydrophobicContact CB-CG2 3.42Å; C371-T381 VanDerWaalsContact CB-CG2 3.42Å; C371-T381 WeakPolarHBondContact SG-CG2 3.49Å; C371-T381 PolarHBondContact SG-OG1 3.3Å
372	G	51.8	Low	59.6	Low	31 Å²	31	87.8 Å²	87.8	32%	0.32	44%	0.436	S	S	.	.			trans	-55.4	148.9	-176.7	0	0	0	0	0	113.5	L369 Q374 H375	L369-G372 PolarHBondContact O-N 3.4Å; G372-Q374 PolarHBondContact O-N 2.99Å; G372-H375 PolarHBondContact O-N 3.11Å
373	K	53.4	Low	62.2	Low	124 Å²	124	83.1 Å²	83.1	54%	0.539	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-39.7	-22.4	173.2	-71.8	167	168.5	162.1	0	115.5	H131 H375 G376	H131-K373 WeakPolarHBondContact O-CE 3.31Å; H131-K373 PolarHBondContact O-NZ 3.18Å; K373-H375 PolarHBondContact O-N 3.43Å; K373-G376 PolarHBondContact O-N 3.29Å; K373-G376 VanDerWaalsContact O-N 3.17Å
374	Q	52.6	Low	64.7	Low	94 Å²	94	77.2 Å²	77.2	44%	0.439	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-59.6	-28.1	-176.3	-156.1	164	7	0	0	113.7	K176 G372	K176-Q374 WeakPolarHBondContact CD-O 3.31Å; K176-Q374 WeakPolarHBondContact CG-O 3.29Å; G372-Q374 PolarHBondContact O-N 2.99Å
375	H	59.4	Low	67.4	Low	129 Å²	129	73.8 Å²	73.8	60%	0.597	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-98	-7.5	177.1	-71.3	-74.7	0	0	0	115.2	G372 K373 N377	G372-H375 PolarHBondContact O-N 3.11Å; K373-H375 PolarHBondContact O-N 3.43Å; H375-N377 VanDerWaalsContact C-N 3.29Å; H375-N377 PolarHBondContact O-OD1 3.5Å
376	G	70.7	Confident	70.1	Confident	14 Å²	14	65.6 Å²	65.6	14%	0.144	33%	0.334	C	S	.	.	S	Bend	trans	68	27.5	-175.4	0	0	0	0	0	114.1	K373 D549	K373-G376 PolarHBondContact O-N 3.29Å; K373-G376 VanDerWaalsContact O-N 3.17Å; G376-D549 VanDerWaalsContact C-OD2 3.24Å; G376-D549 WeakPolarHBondContact O-CB 3.42Å; G376-D549 PolarHBondContact O-N 2.87Å; G376-D549 VanDerWaalsContact O-OD2 3.09Å
377	N	84.5	Confident	72.8	Confident	48 Å²	48	62.5 Å²	62.5	26%	0.257	31%	0.312	S	S	.	.			trans	-121.5	13.9	-178.1	-57.4	-21.2	0	0	0	112.1	H375 T381 L548 D549	H375-N377 VanDerWaalsContact C-N 3.29Å; H375-N377 PolarHBondContact O-OD1 3.5Å; N377-T381 PolarHBondContact O-N 3.39Å; N377-T381 PolarHBondContact O-OG1 2.86Å; N377-L548 HydrophobicContact CB-CD1 4.45Å; N377-L548 WeakPolarHBondContact OD1-CB 3.46Å; N377-L548 WeakPolarHBondContact OD1-CD1 3.49Å; N377-D549 WeakPolarHBondContact CA-OD1 3.47Å
378	Y	89.5	Confident	75.5	Confident	44 Å²	44	62.3 Å²	62.3	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-66.7	-44.2	-171.6	168.4	-90.5	0	0	0	110.9	G128 H131 S132 T381 L382 D549	G128-Y378 WeakPolarHBondContact CA-OH 3.01Å; G128-Y378 VanDerWaalsContact O-CE1 3.25Å; G128-Y378 WeakPolarHBondContact O-CE1 3.19Å; G128-Y378 PolarHBondContact O-OH 3.09Å; H131-Y378 HydrophobicContact CB-CE1 4.15Å; S132-Y378 VanDerWaalsContact CA-CD1 3.48Å; Y378-T381 PolarHBondContact O-N 2.98Å; Y378-L382 HydrophobicContact CE1-CD2 4.19Å; Y378-L382 VanDerWaalsContact O-CB 3.31Å; Y378-L382 WeakPolarHBondContact O-CB 3.05Å; Y378-L382 PolarHBondContact O-N 3.19Å; Y378-D549 PolarHBondContact N-OD1 3.46Å; Y378-D549 PolarHBondContact N-OD2 2.96Å; Y378-D549 VanDerWaalsContact N-OD2 3.14Å
379	L	91.1	Very high	77.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-43.7	-177.6	-172.3	67.4	0	0	0	110.3	W125 M129 L136 L382 Y383 D549 F552 I553	W125-L379 HydrophobicContact CH2-CD1 3.58Å; W125-L379 HydrophobicContact CH2-CG 4.19Å; W125-L379 HydrophobicContact CZ3-CD1 3.93Å; M129-L379 HydrophobicContact CB-CD1 4.44Å; L136-L379 HydrophobicContact CD1-CD2 4.44Å; L136-L379 HydrophobicContact CD2-CD1 4.35Å; L379-L382 PolarHBondContact O-N 3.3Å; L379-Y383 WeakPolarHBondContact O-CB 3.36Å; L379-Y383 PolarHBondContact O-N 3.4Å; L379-D549 HydrophobicContact CB-CB 4.14Å; L379-D549 WeakPolarHBondContact CB-OD1 3.5Å; L379-D549 PolarHBondContact N-OD1 2.9Å; L379-D549 PolarHBondContact N-OD2 2.82Å; L379-F552 HydrophobicContact CD2-CD1 3.66Å; L379-F552 HydrophobicContact CD2-CE1 3.82Å; L379-F552 HydrophobicContact CG-CD1 3.84Å; L379-F552 HydrophobicContact CG-CE1 3.77Å; L379-I553 HydrophobicContact CD2-CD1 4.09Å; L379-I553 HydrophobicContact CD2-CG1 3.84Å
380	V	92.5	Very high	80.3	Confident	3 Å²	3	49 Å²	49	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-49.7	176.9	-179.7	0	0	0	0	111.5	L382 Y383 M384 L492 L548 D549 F552	V380-L382 VanDerWaalsContact C-N 3.33Å; V380-L382 PolarHBondContact O-N 3.41Å; V380-Y383 PolarHBondContact O-N 3.01Å; V380-M384 HydrophobicContact CG1-CG 4.3Å; V380-M384 WeakPolarHBondContact O-CG 3.15Å; V380-M384 PolarHBondContact O-N 3.27Å; V380-L492 HydrophobicContact CG1-CD1 3.81Å; V380-L492 HydrophobicContact CG1-CD2 4.43Å; V380-L548 VanDerWaalsContact CG2-C 3.49Å; V380-L548 HydrophobicContact CG2-CB 3.94Å; V380-L548 VanDerWaalsContact CG2-O 3.32Å; V380-L548 WeakPolarHBondContact CG2-O 3.38Å; V380-D549 WeakPolarHBondContact CG2-OD1 3.27Å; V380-D549 PolarHBondContact N-OD1 3.03Å; V380-F552 HydrophobicContact CG2-CB 3.48Å; V380-F552 VanDerWaalsContact CG2-CB 3.48Å; V380-F552 HydrophobicContact CG2-CG 4Å
381	T	92.2	Very high	82.9	Confident	48 Å²	48	42.8 Å²	42.8	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-43.8	-179.7	-56.5	0	0	0	0	111.1	C371 N377 Y378 Y383 M384 F385	C371-T381 HydrophobicContact CB-CG2 3.42Å; C371-T381 VanDerWaalsContact CB-CG2 3.42Å; C371-T381 WeakPolarHBondContact SG-CG2 3.49Å; C371-T381 PolarHBondContact SG-OG1 3.3Å; N377-T381 PolarHBondContact O-N 3.39Å; N377-T381 PolarHBondContact O-OG1 2.86Å; Y378-T381 PolarHBondContact O-N 2.98Å; T381-Y383 VanDerWaalsContact C-N 3.31Å; T381-Y383 PolarHBondContact O-N 3.4Å; T381-M384 PolarHBondContact O-N 3.02Å; T381-F385 WeakPolarHBondContact O-CB 3.44Å; T381-F385 PolarHBondContact O-N 3.3Å
382	L	92.8	Very high	85.3	Confident	22 Å²	22	43 Å²	43	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-57.4	-46.7	176.8	178.3	69.2	0	0	0	111.1	W125 Y378 L379 V380 F385 V386	W125-L382 HydrophobicContact CE3-CD2 3.85Å; W125-L382 HydrophobicContact CE3-CG 3.98Å; W125-L382 HydrophobicContact CZ3-CD2 4Å; W125-L382 HydrophobicContact CZ3-CG 4.19Å; Y378-L382 HydrophobicContact CE1-CD2 4.19Å; Y378-L382 VanDerWaalsContact O-CB 3.31Å; Y378-L382 WeakPolarHBondContact O-CB 3.05Å; Y378-L382 PolarHBondContact O-N 3.19Å; L379-L382 PolarHBondContact O-N 3.3Å; V380-L382 VanDerWaalsContact C-N 3.33Å; V380-L382 PolarHBondContact O-N 3.41Å; L382-F385 WeakPolarHBondContact O-CB 3.31Å; L382-F385 PolarHBondContact O-N 2.98Å; L382-V386 VanDerWaalsContact O-CG2 3.26Å; L382-V386 WeakPolarHBondContact O-CG2 3.3Å; L382-V386 PolarHBondContact O-N 2.92Å
383	Y	94	Very high	87.5	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-44	179.6	-170.2	-102.2	0	0	0	112.2	D25 D28 W125 L379 V380 T381 F385 V386 K387 W488 F552	D25-Y383 PolarHBondContact OD2-OH 3.26Å; D28-Y383 PolarHBondContact OD2-OH 3.44Å; D28-Y383 VanDerWaalsContact OD2-OH 3.07Å; W125-Y383 HydrophobicContact CD2-CD2 4.31Å; W125-Y383 AromaticContact CE3-CD2 3.95Å; W125-Y383 HydrophobicContact CE3-CD2 3.95Å; W125-Y383 AromaticContact CH2-CD2 3.65Å; W125-Y383 HydrophobicContact CH2-CD2 3.65Å; W125-Y383 HydrophobicContact CH2-CG 4.28Å; W125-Y383 HydrophobicContact CZ2-CD2 4.02Å; W125-Y383 AromaticContact CZ3-CD2 3.64Å; W125-Y383 HydrophobicContact CZ3-CD2 3.64Å; W125-Y383 HydrophobicContact CZ3-CG 4.11Å; L379-Y383 WeakPolarHBondContact O-CB 3.36Å; L379-Y383 PolarHBondContact O-N 3.4Å; V380-Y383 PolarHBondContact O-N 3.01Å; T381-Y383 VanDerWaalsContact C-N 3.31Å; T381-Y383 PolarHBondContact O-N 3.4Å; Y383-F385 VanDerWaalsContact C-N 3.3Å; Y383-F385 PolarHBondContact O-N 3.23Å; Y383-V386 WeakPolarHBondContact O-CB 3.37Å; Y383-V386 PolarHBondContact O-N 3.26Å; Y383-K387 HydrophobicContact CD1-CG 4.2Å; Y383-K387 HydrophobicContact CE1-CD 4.31Å; Y383-K387 HydrophobicContact CE1-CG 3.94Å; Y383-K387 WeakPolarHBondContact O-CG 3.36Å; Y383-K387 PolarHBondContact O-N 3.48Å; Y383-K387 WeakPolarHBondContact OH-CE 3.43Å; Y383-K387 PolarHBondContact OH-NZ 3.48Å; Y383-K387 VanDerWaalsContact OH-NZ 3.15Å; Y383-W488 HydrophobicContact CD1-CD2 4.43Å; Y383-W488 AromaticContact CE1-CD2 3.75Å; Y383-W488 HydrophobicContact CE1-CD2 3.75Å; Y383-W488 AromaticContact CE1-CE2 3.42Å; Y383-W488 VanDerWaalsContact CE1-CE2 3.42Å; Y383-W488 HydrophobicContact CE1-CE3 4.29Å; Y383-W488 HydrophobicContact CE1-CG 4.15Å; Y383-W488 HydrophobicContact CE1-CH2 4.23Å; Y383-W488 AromaticContact CE1-CZ2 3.69Å; Y383-W488 HydrophobicContact CE1-CZ2 3.69Å; Y383-W488 AromaticContact CE1-NE1 3.67Å; Y383-W488 AromaticContact CZ-CE2 3.99Å; Y383-W488 AromaticContact CZ-CZ2 3.96Å; Y383-F552 HydrophobicContact CD1-CD2 4.42Å; Y383-F552 AromaticContact CD1-CE2 3.36Å; Y383-F552 HydrophobicContact CD1-CE2 3.36Å; Y383-F552 AromaticContact CD1-CZ 3.7Å; Y383-F552 HydrophobicContact CD1-CZ 3.7Å; Y383-F552 HydrophobicContact CD2-CE2 4.16Å; Y383-F552 AromaticContact CD2-CZ 3.6Å; Y383-F552 HydrophobicContact CD2-CZ 3.6Å; Y383-F552 AromaticContact CE1-CE2 3.74Å; Y383-F552 HydrophobicContact CE1-CE2 3.74Å; Y383-F552 HydrophobicContact CE1-CZ 4.16Å; Y383-F552 HydrophobicContact CE2-CE2 4.46Å; Y383-F552 HydrophobicContact CE2-CZ 4.08Å; Y383-F552 HydrophobicContact CG-CE1 4.42Å; Y383-F552 AromaticContact CG-CE2 3.58Å; Y383-F552 HydrophobicContact CG-CE2 3.58Å; Y383-F552 AromaticContact CG-CZ 3.37Å; Y383-F552 HydrophobicContact CG-CZ 3.37Å
384	M	95.2	Very high	89.5	Confident	17 Å²	17	36.6 Å²	36.6	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-38.2	175.8	-69.6	-51.8	-56.5	0	0	112.1	V380 T381 K387 F388 F485 W488 I489 L492 F493	V380-M384 HydrophobicContact CG1-CG 4.3Å; V380-M384 WeakPolarHBondContact O-CG 3.15Å; V380-M384 PolarHBondContact O-N 3.27Å; T381-M384 PolarHBondContact O-N 3.02Å; M384-K387 PolarHBondContact O-N 3.47Å; M384-F388 WeakPolarHBondContact O-CB 3.49Å; M384-F388 PolarHBondContact O-N 3.07Å; M384-F485 HydrophobicContact CE-CD2 3.86Å; M384-F485 HydrophobicContact CE-CE2 3.58Å; M384-F485 HydrophobicContact CE-CZ 4.4Å; M384-W488 HydrophobicContact CE-CB 4.22Å; M384-W488 HydrophobicContact SD-CB 3.85Å; M384-I489 HydrophobicContact CE-CD1 4.43Å; M384-I489 HydrophobicContact CE-CG1 3.5Å; M384-I489 VanDerWaalsContact CE-CG1 3.5Å; M384-L492 HydrophobicContact CG-CD1 4.27Å; M384-L492 HydrophobicContact SD-CD1 3.7Å; M384-F493 HydrophobicContact CE-CE2 4.26Å; M384-F493 HydrophobicContact CG-CE2 4.12Å; M384-F493 HydrophobicContact CG-CZ 4.3Å; M384-F493 HydrophobicContact SD-CE2 4.44Å
385	F	95.6	Very high	91.6	Very high	101 Å²	101	35.7 Å²	35.7	44%	0.443	18%	0.184	S	C	.	.	H	α-helix	trans	-65.4	-39.4	174.4	178.2	-101.6	0	0	0	112.2	L124 T381 L382 Y383 F388 S389	L124-F385 HydrophobicContact CD1-CE1 4.28Å; T381-F385 WeakPolarHBondContact O-CB 3.44Å; T381-F385 PolarHBondContact O-N 3.3Å; L382-F385 WeakPolarHBondContact O-CB 3.31Å; L382-F385 PolarHBondContact O-N 2.98Å; Y383-F385 VanDerWaalsContact C-N 3.3Å; Y383-F385 PolarHBondContact O-N 3.23Å; F385-F388 PolarHBondContact O-N 3.34Å; F385-S389 WeakPolarHBondContact O-CB 3.31Å; F385-S389 PolarHBondContact O-N 2.74Å; F385-S389 PolarHBondContact O-OG 3.24Å
386	V	95.6	Very high	93.2	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-45.3	174.7	169	0	0	0	0	110.8	P121 W125 L382 Y383 F388 S389 Y390	P121-V386 HydrophobicContact CB-CG1 4.14Å; W125-V386 HydrophobicContact CB-CG1 4.24Å; W125-V386 HydrophobicContact CB-CG2 3.83Å; W125-V386 HydrophobicContact CE3-CG2 4.4Å; L382-V386 VanDerWaalsContact O-CG2 3.26Å; L382-V386 WeakPolarHBondContact O-CG2 3.3Å; L382-V386 PolarHBondContact O-N 2.92Å; Y383-V386 WeakPolarHBondContact O-CB 3.37Å; Y383-V386 PolarHBondContact O-N 3.26Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.31Å; V386-S389 CarbonylContact O-C 3.55Å; V386-S389 WeakPolarHBondContact O-CA 3.37Å; V386-S389 WeakPolarHBondContact O-CB 3.46Å; V386-S389 PolarHBondContact O-N 3.04Å; V386-S389 VanDerWaalsContact O-N 3.08Å; V386-Y390 HydrophobicContact CG1-CD2 3.93Å; V386-Y390 HydrophobicContact CG1-CE2 3.59Å; V386-Y390 WeakPolarHBondContact O-CD2 3.48Å; V386-Y390 PolarHBondContact O-N 2.8Å
387	K	96.6	Very high	94.4	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-44.4	175.5	-69.1	-71.8	-173.5	177.7	0	112.3	D25 D28 Y383 M384 S389 Y390 L391 S484 F485	D25-K387 IonicContact OD2-NZ 2.99Å; D25-K387 PolarHBondContact OD2-NZ 2.89Å; D28-K387 WeakPolarHBondContact OD1-CD 3.47Å; D28-K387 VanDerWaalsContact OD1-CE 3.23Å; D28-K387 WeakPolarHBondContact OD1-CE 3.4Å; D28-K387 IonicContact OD1-NZ 2.85Å; D28-K387 PolarHBondContact OD1-NZ 2.85Å; D28-K387 WeakPolarHBondContact OD2-CE 3.44Å; D28-K387 IonicContact OD2-NZ 2.83Å; D28-K387 PolarHBondContact OD2-NZ 3.08Å; Y383-K387 HydrophobicContact CD1-CG 4.2Å; Y383-K387 HydrophobicContact CE1-CD 4.31Å; Y383-K387 HydrophobicContact CE1-CG 3.94Å; Y383-K387 WeakPolarHBondContact O-CG 3.36Å; Y383-K387 PolarHBondContact O-N 3.48Å; Y383-K387 WeakPolarHBondContact OH-CE 3.43Å; Y383-K387 PolarHBondContact OH-NZ 3.48Å; Y383-K387 VanDerWaalsContact OH-NZ 3.15Å; M384-K387 PolarHBondContact O-N 3.47Å; K387-S389 VanDerWaalsContact C-N 3.3Å; K387-S389 PolarHBondContact O-N 3.13Å; K387-Y390 PolarHBondContact O-N 2.87Å; K387-L391 PolarHBondContact O-N 3.11Å; K387-L391 VanDerWaalsContact O-N 3.16Å; K387-S484 PolarHBondContact NZ-OG 3.13Å; K387-S484 VanDerWaalsContact NZ-OG 3.08Å; K387-F485 HydrophobicContact CB-CD2 3.67Å; K387-F485 HydrophobicContact CB-CE2 4.29Å
388	F	96.5	Very high	94.8	Very high	105 Å²	105	29.6 Å²	29.6	46%	0.461	16%	0.161	S	C	.	.	H	α-helix	trans	-60.9	-41.7	173	174.8	-100.3	0	0	0	111.5	M384 F385 V386 Y390 L391 S392 F485	M384-F388 WeakPolarHBondContact O-CB 3.49Å; M384-F388 PolarHBondContact O-N 3.07Å; F385-F388 PolarHBondContact O-N 3.34Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.31Å; F388-Y390 VanDerWaalsContact C-N 3.34Å; F388-Y390 PolarHBondContact O-N 2.98Å; F388-L391 PolarHBondContact O-N 2.93Å; F388-S392 WeakPolarHBondContact O-CB 2.94Å; F388-S392 PolarHBondContact O-N 3.45Å; F388-F485 HydrophobicContact CB-CE2 3.99Å; F388-F485 HydrophobicContact CB-CZ 4.21Å; F388-F485 HydrophobicContact CD2-CZ 4.36Å
389	S	96.7	Very high	94.9	Very high	21 Å²	21	33.9 Å²	33.9	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-37	177.9	-60.4	0	0	0	0	112.2	F385 V386 K387 N393	F385-S389 WeakPolarHBondContact O-CB 3.31Å; F385-S389 PolarHBondContact O-N 2.74Å; F385-S389 PolarHBondContact O-OG 3.24Å; V386-S389 CarbonylContact O-C 3.55Å; V386-S389 WeakPolarHBondContact O-CA 3.37Å; V386-S389 WeakPolarHBondContact O-CB 3.46Å; V386-S389 PolarHBondContact O-N 3.04Å; V386-S389 VanDerWaalsContact O-N 3.08Å; K387-S389 VanDerWaalsContact C-N 3.3Å; K387-S389 PolarHBondContact O-N 3.13Å; S389-N393 WeakPolarHBondContact O-CB 3.49Å; S389-N393 PolarHBondContact O-N 2.97Å
390	Y	97.2	Very high	95	Very high	5 Å²	5	36.6 Å²	36.6	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-44	172.1	-79.5	-57.9	0	0	0	112.4	D28 N31 Y32 P121 C122 V386 K387 F388 N393 V394	D28-Y390 HydrophobicContact CB-CE2 4Å; N31-Y390 HydrophobicContact CB-CD1 3.41Å; N31-Y390 VanDerWaalsContact CB-CD1 3.41Å; N31-Y390 HydrophobicContact CB-CE1 3.39Å; N31-Y390 HydrophobicContact CB-CG 4.31Å; Y32-Y390 WeakPolarHBondContact CD1-OH 3.36Å; P121-Y390 HydrophobicContact CB-CD1 3.82Å; P121-Y390 HydrophobicContact CB-CD2 4.11Å; P121-Y390 HydrophobicContact CB-CE1 3.65Å; P121-Y390 HydrophobicContact CB-CE2 3.96Å; P121-Y390 HydrophobicContact CB-CG 4.05Å; P121-Y390 HydrophobicContact CG-CD1 3.77Å; P121-Y390 HydrophobicContact CG-CE1 3.85Å; P121-Y390 HydrophobicContact CG-CG 4.28Å; C122-Y390 WeakPolarHBondContact CB-OH 3.46Å; C122-Y390 PolarHBondContact N-OH 2.87Å; V386-Y390 HydrophobicContact CG1-CD2 3.93Å; V386-Y390 HydrophobicContact CG1-CE2 3.59Å; V386-Y390 WeakPolarHBondContact O-CD2 3.48Å; V386-Y390 PolarHBondContact O-N 2.8Å; K387-Y390 PolarHBondContact O-N 2.87Å; F388-Y390 VanDerWaalsContact C-N 3.34Å; F388-Y390 PolarHBondContact O-N 2.98Å; Y390-N393 PolarHBondContact O-N 3.17Å; Y390-V394 WeakPolarHBondContact O-CG1 3.18Å; Y390-V394 PolarHBondContact O-N 3.07Å
391	L	96.9	Very high	94.9	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-46.4	176.8	-177.4	62.9	0	0	0	111.6	K387 F388 N393 V394 I395 N481 L482 F485	K387-L391 PolarHBondContact O-N 3.11Å; K387-L391 VanDerWaalsContact O-N 3.16Å; F388-L391 PolarHBondContact O-N 2.93Å; L391-N393 VanDerWaalsContact C-N 3.32Å; L391-N393 PolarHBondContact O-N 3.27Å; L391-V394 VanDerWaalsContact O-CG1 3.29Å; L391-V394 WeakPolarHBondContact O-CG1 3.37Å; L391-V394 PolarHBondContact O-N 3.39Å; L391-I395 HydrophobicContact CD1-CD1 4.08Å; L391-I395 HydrophobicContact CG-CD1 4.01Å; L391-I395 WeakPolarHBondContact O-CD1 3.27Å; L391-I395 VanDerWaalsContact O-CG1 3.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.5Å; L391-I395 PolarHBondContact O-N 3.47Å; L391-I395 VanDerWaalsContact O-N 3.13Å; L391-N481 HydrophobicContact CD1-CB 4.3Å; L391-L482 HydrophobicContact CD1-CB 4.21Å; L391-L482 HydrophobicContact CD2-CD1 4.11Å; L391-F485 HydrophobicContact CD2-CD1 4.36Å
392	S	96.8	Very high	94.7	Very high	63 Å²	63	35.7 Å²	35.7	44%	0.441	18%	0.184	S	C	.	.	H	α-helix	trans	-63.3	-39.3	176.2	-173.3	0	0	0	0	111.7	F388 G396	F388-S392 WeakPolarHBondContact O-CB 2.94Å; F388-S392 PolarHBondContact O-N 3.45Å; S392-G396 PolarHBondContact O-N 3.34Å
393	N	96.8	Very high	94.4	Very high	22 Å²	22	44.4 Å²	44.4	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-53.5	178	177.3	47.3	0	0	0	110.5	L117 F118 S389 Y390 L391 I395 G396 Q397	L117-N393 WeakPolarHBondContact CB-OD1 3.41Å; L117-N393 PolarHBondContact O-ND2 3.3Å; F118-N393 WeakPolarHBondContact CA-ND2 3.23Å; F118-N393 WeakPolarHBondContact CD1-ND2 3.23Å; S389-N393 WeakPolarHBondContact O-CB 3.49Å; S389-N393 PolarHBondContact O-N 2.97Å; Y390-N393 PolarHBondContact O-N 3.17Å; L391-N393 VanDerWaalsContact C-N 3.32Å; L391-N393 PolarHBondContact O-N 3.27Å; N393-I395 VanDerWaalsContact C-N 3.31Å; N393-I395 PolarHBondContact O-N 3.01Å; N393-G396 CarbonylContact O-C 3.47Å; N393-G396 WeakPolarHBondContact O-CA 3.18Å; N393-G396 PolarHBondContact O-N 3.37Å; N393-Q397 VanDerWaalsContact O-CG 3.31Å; N393-Q397 WeakPolarHBondContact O-CG 3.48Å; N393-Q397 PolarHBondContact O-N 2.77Å; N393-Q397 PolarHBondContact OD1-NE2 2.65Å
394	V	97.1	Very high	94.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-36.5	-177.6	67	0	0	0	0	112.7	F118 Y390 L391 Q397 I398 H474 I477 A478	F118-V394 HydrophobicContact CE1-CB 4.24Å; F118-V394 HydrophobicContact CE1-CG2 4.44Å; F118-V394 HydrophobicContact CZ-CB 4.46Å; F118-V394 HydrophobicContact CZ-CG2 4.33Å; Y390-V394 WeakPolarHBondContact O-CG1 3.18Å; Y390-V394 PolarHBondContact O-N 3.07Å; L391-V394 VanDerWaalsContact O-CG1 3.29Å; L391-V394 WeakPolarHBondContact O-CG1 3.37Å; L391-V394 PolarHBondContact O-N 3.39Å; V394-Q397 PolarHBondContact O-N 3.44Å; V394-I398 WeakPolarHBondContact O-CG1 3.32Å; V394-I398 PolarHBondContact O-N 3.25Å; V394-H474 HydrophobicContact CG2-CB 4.23Å; V394-H474 VanDerWaalsContact CG2-O 3.25Å; V394-H474 WeakPolarHBondContact CG2-O 3.37Å; V394-I477 HydrophobicContact CB-CG2 4.36Å; V394-I477 HydrophobicContact CG2-CB 4.19Å; V394-I477 HydrophobicContact CG2-CG2 3.92Å; V394-A478 HydrophobicContact CG1-CB 3.78Å; V394-A478 HydrophobicContact CG2-CB 4.03Å
395	I	94.9	Very high	93.5	Very high	74 Å²	74	45.8 Å²	45.8	38%	0.379	22%	0.223	S	C	.	.	H	α-helix	trans	-63.3	-47.4	172.1	-67.1	167.8	0	0	0	110.1	L391 N393 Q397 I398 Y399	L391-I395 HydrophobicContact CD1-CD1 4.08Å; L391-I395 HydrophobicContact CG-CD1 4.01Å; L391-I395 WeakPolarHBondContact O-CD1 3.27Å; L391-I395 VanDerWaalsContact O-CG1 3.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.5Å; L391-I395 PolarHBondContact O-N 3.47Å; L391-I395 VanDerWaalsContact O-N 3.13Å; N393-I395 VanDerWaalsContact C-N 3.31Å; N393-I395 PolarHBondContact O-N 3.01Å; I395-Q397 VanDerWaalsContact C-N 3.27Å; I395-Q397 PolarHBondContact O-N 2.9Å; I395-I398 PolarHBondContact O-N 3.46Å; I395-I398 VanDerWaalsContact O-N 3.16Å; I395-Y399 HydrophobicContact CG2-CD2 3.9Å; I395-Y399 HydrophobicContact CG2-CE2 3.65Å; I395-Y399 VanDerWaalsContact O-CD2 3.26Å; I395-Y399 WeakPolarHBondContact O-CD2 3.3Å; I395-Y399 PolarHBondContact O-N 2.59Å
396	G	95	Very high	92.7	Very high	36 Å²	36	43.7 Å²	43.7	37%	0.371	23%	0.23	S	C	.	.	H	α-helix	trans	-58	-36.6	175.2	0	0	0	0	0	113	S392 N393 Y399 L400	S392-G396 PolarHBondContact O-N 3.34Å; N393-G396 CarbonylContact O-C 3.47Å; N393-G396 WeakPolarHBondContact O-CA 3.18Å; N393-G396 PolarHBondContact O-N 3.37Å; G396-Y399 PolarHBondContact O-N 2.9Å; G396-L400 VanDerWaalsContact O-CB 3.29Å; G396-L400 WeakPolarHBondContact O-CB 3.34Å; G396-L400 PolarHBondContact O-N 2.93Å
397	Q	95	Very high	91.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-39.1	176	-66.3	-55.2	-25.9	0	0	112.6	Q114 L117 F118 N393 V394 I395 Y399 L400 M401	Q114-Q397 VanDerWaalsContact NE2-OE1 3.08Å; L117-Q397 VanDerWaalsContact CB-NE2 3.25Å; F118-Q397 HydrophobicContact CD2-CG 4.43Å; F118-Q397 HydrophobicContact CE2-CB 4.49Å; F118-Q397 HydrophobicContact CE2-CG 3.64Å; F118-Q397 HydrophobicContact CZ-CB 4.45Å; F118-Q397 HydrophobicContact CZ-CG 3.78Å; N393-Q397 VanDerWaalsContact O-CG 3.31Å; N393-Q397 WeakPolarHBondContact O-CG 3.48Å; N393-Q397 PolarHBondContact O-N 2.77Å; N393-Q397 PolarHBondContact OD1-NE2 2.65Å; V394-Q397 PolarHBondContact O-N 3.44Å; I395-Q397 VanDerWaalsContact C-N 3.27Å; I395-Q397 PolarHBondContact O-N 2.9Å; Q397-Y399 VanDerWaalsContact C-N 3.34Å; Q397-L400 PolarHBondContact O-N 3.23Å; Q397-M401 WeakPolarHBondContact O-CB 3.47Å; Q397-M401 PolarHBondContact O-N 2.98Å
398	I	93.4	Very high	90.8	Very high	26 Å²	26	52.6 Å²	52.6	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-43.9	176.1	-65.9	168.1	0	0	0	110.1	V394 I395 M401 Q402 H474 V475	V394-I398 WeakPolarHBondContact O-CG1 3.32Å; V394-I398 PolarHBondContact O-N 3.25Å; I395-I398 PolarHBondContact O-N 3.46Å; I395-I398 VanDerWaalsContact O-N 3.16Å; I398-M401 PolarHBondContact O-N 3.33Å; I398-Q402 PolarHBondContact O-N 3.29Å; I398-H474 HydrophobicContact CD1-CB 4.29Å; I398-H474 HydrophobicContact CG1-CB 3.83Å; I398-V475 HydrophobicContact CD1-CG2 4.24Å
399	Y	91.9	Very high	90	Very high	133 Å²	133	56 Å²	56	52%	0.522	28%	0.28	S	S	.	.	H	α-helix	trans	-67.4	-39.8	175.5	-76.8	-70.8	0	0	0	113.1	I395 G396 Q397 M401 Q402 Y403 T410	I395-Y399 HydrophobicContact CG2-CD2 3.9Å; I395-Y399 HydrophobicContact CG2-CE2 3.65Å; I395-Y399 VanDerWaalsContact O-CD2 3.26Å; I395-Y399 WeakPolarHBondContact O-CD2 3.3Å; I395-Y399 PolarHBondContact O-N 2.59Å; G396-Y399 PolarHBondContact O-N 2.9Å; Q397-Y399 VanDerWaalsContact C-N 3.34Å; Y399-M401 VanDerWaalsContact C-N 3.26Å; Y399-M401 PolarHBondContact O-N 3.2Å; Y399-Q402 WeakPolarHBondContact O-CB 3.27Å; Y399-Q402 PolarHBondContact O-N 3.38Å; Y399-Y403 WeakPolarHBondContact O-CB 3.42Å; Y399-Y403 PolarHBondContact O-N 2.82Å; Y399-T410 HydrophobicContact CD1-CG2 4.03Å; Y399-T410 HydrophobicContact CE1-CG2 3.55Å
400	L	92	Very high	89.2	Confident	57 Å²	57	57.4 Å²	57.4	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-59.8	-42.3	175.7	-176	154.7	0	0	0	110.4	V110 Q114 L117 G396 Q397 Y403 F404	V110-L400 HydrophobicContact CG1-CD2 3.74Å; Q114-L400 HydrophobicContact CG-CD2 4.09Å; L117-L400 HydrophobicContact CD1-CD1 4.49Å; G396-L400 VanDerWaalsContact O-CB 3.29Å; G396-L400 WeakPolarHBondContact O-CB 3.34Å; G396-L400 PolarHBondContact O-N 2.93Å; Q397-L400 PolarHBondContact O-N 3.23Å; L400-Y403 PolarHBondContact O-N 3.48Å; L400-F404 VanDerWaalsContact O-CB 3.29Å; L400-F404 WeakPolarHBondContact O-CB 3.26Å; L400-F404 PolarHBondContact O-N 2.9Å
401	M	89.8	Confident	88.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-39.4	178.1	-165.9	160.1	61.5	0	0	112.4	Q397 I398 Y399 F404 I405 Y412 Y467 L470 W471	Q397-M401 WeakPolarHBondContact O-CB 3.47Å; Q397-M401 PolarHBondContact O-N 2.98Å; I398-M401 PolarHBondContact O-N 3.33Å; Y399-M401 VanDerWaalsContact C-N 3.26Å; Y399-M401 PolarHBondContact O-N 3.2Å; M401-F404 PolarHBondContact O-N 2.94Å; M401-I405 HydrophobicContact CG-CD1 3.95Å; M401-I405 WeakPolarHBondContact O-CG1 3.08Å; M401-I405 PolarHBondContact O-N 3.21Å; M401-I405 VanDerWaalsContact O-N 3.08Å; M401-Y412 HydrophobicContact CB-CE1 4.42Å; M401-Y412 HydrophobicContact CE-CE1 3.92Å; M401-Y412 VanDerWaalsContact CE-OH 3.23Å; M401-Y412 WeakPolarHBondContact CE-OH 3.41Å; M401-Y412 HydrophobicContact CG-CE1 3.83Å; M401-Y412 WeakPolarHBondContact CG-OH 3.23Å; M401-Y412 HydrophobicContact SD-CE1 4.45Å; M401-Y412 PolarHBondContact SD-OH 3.44Å; M401-Y467 HydrophobicContact CG-CD1 3.7Å; M401-Y467 HydrophobicContact CG-CE1 3.99Å; M401-Y467 HydrophobicContact SD-CD1 3.65Å; M401-Y467 HydrophobicContact SD-CE1 4.17Å; M401-L470 HydrophobicContact SD-CB 4.27Å; M401-W471 VanDerWaalsContact CE-CA 3.46Å; M401-W471 HydrophobicContact CE-CB 3.69Å; M401-W471 HydrophobicContact CE-CG 4.06Å
402	Q	88.3	Confident	87.7	Confident	33 Å²	33	61.7 Å²	61.7	15%	0.154	31%	0.311	C	S	.	.	H	α-helix	trans	-56.9	-49.6	171	179.6	-169	2	0	0	111.2	I398 Y399 G406 T407 K408	I398-Q402 PolarHBondContact O-N 3.29Å; Y399-Q402 WeakPolarHBondContact O-CB 3.27Å; Y399-Q402 PolarHBondContact O-N 3.38Å; Q402-G406 PolarHBondContact O-N 2.89Å; Q402-G406 VanDerWaalsContact O-N 3.11Å; Q402-T407 VanDerWaalsContact CG-O 3.25Å; Q402-T407 WeakPolarHBondContact CG-O 3.29Å; Q402-T407 PolarHBondContact NE2-O 3.04Å; Q402-T407 PolarHBondContact O-N 3.39Å; Q402-T407 PolarHBondContact O-OG1 3.43Å; Q402-K408 PolarHBondContact NE2-O 2.65Å
403	Y	87.5	Confident	87	Confident	205 Å²	205	58.7 Å²	58.7	80%	0.804	29%	0.29	S	S	*	.	H	α-helix	trans	-63.1	-44.4	179.7	-179.8	-98	0	0	0	111.7	Y399 L400 I405 G406	Y399-Y403 WeakPolarHBondContact O-CB 3.42Å; Y399-Y403 PolarHBondContact O-N 2.82Å; L400-Y403 PolarHBondContact O-N 3.48Å; Y403-I405 PolarHBondContact O-N 3.01Å; Y403-G406 PolarHBondContact O-N 3.48Å; Y403-G406 VanDerWaalsContact O-N 3.13Å
404	F	87.4	Confident	86.3	Confident	33 Å²	33	59.1 Å²	59.1	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-39.3	-178.3	-178.6	-101.6	0	0	0	113.4	Y103 W106 A107 V110 L400 M401 G406 Y467	Y103-F404 HydrophobicContact CD2-CE1 4.12Å; Y103-F404 HydrophobicContact CD2-CZ 4.46Å; Y103-F404 HydrophobicContact CG-CE1 4.42Å; Y103-F404 WeakPolarHBondContact O-CZ 3.31Å; W106-F404 HydrophobicContact CB-CE2 4.15Å; A107-F404 HydrophobicContact CB-CE1 4.33Å; A107-F404 HydrophobicContact CB-CZ 4.06Å; V110-F404 HydrophobicContact CB-CD2 4.38Å; V110-F404 HydrophobicContact CB-CE2 4.11Å; V110-F404 HydrophobicContact CB-CZ 4.44Å; V110-F404 HydrophobicContact CG1-CD2 4.22Å; V110-F404 HydrophobicContact CG1-CE2 4.41Å; V110-F404 HydrophobicContact CG1-CG 4.43Å; V110-F404 HydrophobicContact CG2-CD2 3.82Å; V110-F404 HydrophobicContact CG2-CE2 3.52Å; V110-F404 HydrophobicContact CG2-CZ 4.27Å; L400-F404 VanDerWaalsContact O-CB 3.29Å; L400-F404 WeakPolarHBondContact O-CB 3.26Å; L400-F404 PolarHBondContact O-N 2.9Å; M401-F404 PolarHBondContact O-N 2.94Å; F404-G406 VanDerWaalsContact C-N 3.28Å; F404-Y467 HydrophobicContact CD1-CE1 4.24Å; F404-Y467 HydrophobicContact CD1-CE2 4.49Å; F404-Y467 AromaticContact CD1-CZ 3.82Å; F404-Y467 WeakPolarHBondContact CD1-OH 3.41Å; F404-Y467 HydrophobicContact CE1-CE1 4.49Å; F404-Y467 HydrophobicContact CE1-CE2 4.07Å; F404-Y467 AromaticContact CE1-CZ 3.63Å; F404-Y467 WeakPolarHBondContact CE1-OH 3.18Å
405	I	83.3	Confident	85.6	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-79.5	-16.3	177.5	-58.7	167.4	0	0	0	110.9	M401 Y403 T407 Y412 F432 Y467	M401-I405 HydrophobicContact CG-CD1 3.95Å; M401-I405 WeakPolarHBondContact O-CG1 3.08Å; M401-I405 PolarHBondContact O-N 3.21Å; M401-I405 VanDerWaalsContact O-N 3.08Å; Y403-I405 PolarHBondContact O-N 3.01Å; I405-T407 HydrophobicContact CB-CG2 4.25Å; I405-T407 HydrophobicContact CG2-CG2 3.68Å; I405-Y412 HydrophobicContact CD1-CD1 4.4Å; I405-Y412 HydrophobicContact CD1-CD2 4.03Å; I405-Y412 HydrophobicContact CD1-CE1 3.77Å; I405-Y412 HydrophobicContact CD1-CE2 3.4Å; I405-Y412 VanDerWaalsContact CD1-CE2 3.4Å; I405-Y412 WeakPolarHBondContact CD1-OH 2.96Å; I405-F432 HydrophobicContact CD1-CE2 4.36Å; I405-F432 HydrophobicContact CD1-CZ 3.91Å; I405-F432 HydrophobicContact CG1-CZ 3.97Å; I405-F432 HydrophobicContact CG2-CE2 3.73Å; I405-F432 HydrophobicContact CG2-CZ 3.87Å; I405-Y467 HydrophobicContact CD1-CD1 3.97Å; I405-Y467 HydrophobicContact CD1-CG 4.06Å
406	G	78.3	Confident	84.8	Confident	57 Å²	57	61.4 Å²	61.4	59%	0.588	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	27.6	-178.8	0	0	0	0	0	113.5	Q402 Y403 F404	Q402-G406 PolarHBondContact O-N 2.89Å; Q402-G406 VanDerWaalsContact O-N 3.11Å; Y403-G406 PolarHBondContact O-N 3.48Å; Y403-G406 VanDerWaalsContact O-N 3.13Å; F404-G406 VanDerWaalsContact C-N 3.28Å
407	T	77.2	Confident	84.2	Confident	13 Å²	13	62.5 Å²	62.5	8%	0.08	30%	0.303	C	S	.	.			trans	-88	140.8	-179.8	55.8	0	0	0	0	111.2	Q402 I405 Y409 Y412	Q402-T407 VanDerWaalsContact CG-O 3.25Å; Q402-T407 WeakPolarHBondContact CG-O 3.29Å; Q402-T407 PolarHBondContact NE2-O 3.04Å; Q402-T407 PolarHBondContact O-N 3.39Å; Q402-T407 PolarHBondContact O-OG1 3.43Å; I405-T407 HydrophobicContact CB-CG2 4.25Å; I405-T407 HydrophobicContact CG2-CG2 3.68Å; T407-Y409 PolarHBondContact O-N 3.16Å; T407-Y409 PolarHBondContact OG1-O 3.38Å; T407-Y412 HydrophobicContact CG2-CG 4.31Å
408	K	75.6	Confident	83.6	Confident	184 Å²	184	66 Å²	66	80%	0.8	32%	0.321	S	S	*	.	S	Bend	trans	-73.1	-15.3	178.3	-67.6	-176.2	-179.7	177.7	0	113.7	Q402	Q402-K408 PolarHBondContact NE2-O 2.65Å
409	Y	79.6	Confident	82.9	Confident	175 Å²	175	66 Å²	66	69%	0.686	32%	0.322	S	S	*	.			trans	-121.1	136.7	-172.7	-49.4	-74.4	0	0	0	111	T407 L411 Y412	T407-Y409 PolarHBondContact O-N 3.16Å; T407-Y409 PolarHBondContact OG1-O 3.38Å; Y409-L411 PolarHBondContact O-N 3.43Å; Y409-Y412 PolarHBondContact O-N 3.09Å
410	T	78.8	Confident	82.2	Confident	51 Å²	51	63.1 Å²	63.1	31%	0.313	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.2	175.7	50.1	0	0	0	0	112.6	Y399 Y412 W471	Y399-T410 HydrophobicContact CD1-CG2 4.03Å; Y399-T410 HydrophobicContact CE1-CG2 3.55Å; T410-Y412 PolarHBondContact O-N 2.81Å; T410-Y412 VanDerWaalsContact O-N 3.16Å; T410-W471 PolarHBondContact O-NE1 3.19Å
411	L	83.4	Confident	81.8	Confident	111 Å²	111	66.8 Å²	66.8	58%	0.581	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	27.4	-180	-61.8	173.4	0	0	0	113	Y409 G413 A414 Q415 W471	Y409-L411 PolarHBondContact O-N 3.43Å; L411-G413 VanDerWaalsContact C-N 3.27Å; L411-G413 PolarHBondContact O-N 2.97Å; L411-A414 PolarHBondContact O-N 3.08Å; L411-Q415 PolarHBondContact O-N 2.9Å; L411-W471 HydrophobicContact CB-CZ2 4.45Å; L411-W471 HydrophobicContact CD2-CH2 4.08Å; L411-W471 HydrophobicContact CD2-CZ2 3.7Å
412	Y	79.9	Confident	81.5	Confident	7 Å²	7	73.8 Å²	73.8	3%	0.027	36%	0.364	C	S	.	.	H	α-helix	trans	-57.9	-39.2	-176.8	87.2	-94.4	0	0	0	112	M401 I405 T407 Y409 T410 A414 Q415 V416 Y467 W471	M401-Y412 HydrophobicContact CB-CE1 4.42Å; M401-Y412 HydrophobicContact CE-CE1 3.92Å; M401-Y412 VanDerWaalsContact CE-OH 3.23Å; M401-Y412 WeakPolarHBondContact CE-OH 3.41Å; M401-Y412 HydrophobicContact CG-CE1 3.83Å; M401-Y412 WeakPolarHBondContact CG-OH 3.23Å; M401-Y412 HydrophobicContact SD-CE1 4.45Å; M401-Y412 PolarHBondContact SD-OH 3.44Å; I405-Y412 HydrophobicContact CD1-CD1 4.4Å; I405-Y412 HydrophobicContact CD1-CD2 4.03Å; I405-Y412 HydrophobicContact CD1-CE1 3.77Å; I405-Y412 HydrophobicContact CD1-CE2 3.4Å; I405-Y412 VanDerWaalsContact CD1-CE2 3.4Å; I405-Y412 WeakPolarHBondContact CD1-OH 2.96Å; T407-Y412 HydrophobicContact CG2-CG 4.31Å; Y409-Y412 PolarHBondContact O-N 3.09Å; T410-Y412 PolarHBondContact O-N 2.81Å; T410-Y412 VanDerWaalsContact O-N 3.16Å; Y412-A414 VanDerWaalsContact C-N 3.33Å; Y412-A414 PolarHBondContact O-N 3.48Å; Y412-Q415 PolarHBondContact O-N 3.42Å; Y412-V416 HydrophobicContact CD2-CG2 4.28Å; Y412-V416 VanDerWaalsContact O-CG2 3.29Å; Y412-V416 WeakPolarHBondContact O-CG2 3.45Å; Y412-V416 PolarHBondContact O-N 2.82Å; Y412-Y467 PolarHBondContact OH-O 3Å; Y412-W471 AromaticContact CD1-CD1 3.81Å; Y412-W471 HydrophobicContact CE1-CB 4.45Å; Y412-W471 AromaticContact CE1-CD1 3.36Å; Y412-W471 HydrophobicContact CE1-CG 4.17Å; Y412-W471 AromaticContact CZ-CD1 3.82Å
413	G	81	Confident	81	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-64	-37.5	-176.2	0	0	0	0	0	113	L411 L417	L411-G413 VanDerWaalsContact C-N 3.27Å; L411-G413 PolarHBondContact O-N 2.97Å; G413-L417 WeakPolarHBondContact O-CB 3.35Å; G413-L417 PolarHBondContact O-N 3.07Å; G413-L417 VanDerWaalsContact O-N 3.11Å
414	A	83.4	Confident	80.3	Confident	30 Å²	30	70.6 Å²	70.6	25%	0.248	37%	0.372	C	S	.	.	H	α-helix	trans	-68.8	-42.9	174.1	0	0	0	0	0	111.8	L411 Y412 L417 I418 W471	L411-A414 PolarHBondContact O-N 3.08Å; Y412-A414 VanDerWaalsContact C-N 3.33Å; Y412-A414 PolarHBondContact O-N 3.48Å; A414-L417 PolarHBondContact O-N 3.4Å; A414-I418 WeakPolarHBondContact O-CD1 3.36Å; A414-I418 VanDerWaalsContact O-CG1 3.25Å; A414-I418 WeakPolarHBondContact O-CG1 3.46Å; A414-I418 PolarHBondContact O-N 3.15Å; A414-W471 HydrophobicContact CB-CH2 3.89Å; A414-W471 HydrophobicContact CB-CZ3 4.04Å
415	Q	81.8	Confident	79.3	Confident	99 Å²	99	74.4 Å²	74.4	46%	0.463	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-50.3	178.5	-178.4	59.8	33.8	0	0	111.5	L411 Y412 L417 I418 D419	L411-Q415 PolarHBondContact O-N 2.9Å; Y412-Q415 PolarHBondContact O-N 3.42Å; Q415-L417 VanDerWaalsContact C-N 3.25Å; Q415-L417 PolarHBondContact O-N 2.95Å; Q415-I418 PolarHBondContact O-N 3.32Å; Q415-I418 VanDerWaalsContact O-N 3.1Å; Q415-D419 VanDerWaalsContact NE2-CG 3.3Å; Q415-D419 PolarHBondContact NE2-OD1 3.1Å; Q415-D419 PolarHBondContact NE2-OD2 2.77Å; Q415-D419 VanDerWaalsContact O-CG 3.22Å; Q415-D419 PolarHBondContact O-N 3.18Å
416	V	77.8	Confident	78.6	Confident	24 Å²	24	74.8 Å²	74.8	15%	0.145	39%	0.391	C	S	.	.	H	α-helix	trans	-61.7	-36.3	178.9	177.7	0	0	0	0	110.9	Y412 L420 I468	Y412-V416 HydrophobicContact CD2-CG2 4.28Å; Y412-V416 VanDerWaalsContact O-CG2 3.29Å; Y412-V416 WeakPolarHBondContact O-CG2 3.45Å; Y412-V416 PolarHBondContact O-N 2.82Å; V416-L420 VanDerWaalsContact O-CB 3.28Å; V416-L420 WeakPolarHBondContact O-CB 3.37Å; V416-L420 PolarHBondContact O-N 2.84Å; V416-I468 HydrophobicContact CB-CD1 4.41Å; V416-I468 HydrophobicContact CB-CG1 4.29Å; V416-I468 HydrophobicContact CG1-CD1 3.51Å; V416-I468 HydrophobicContact CG1-CG1 3.82Å
417	L	81.8	Confident	77.9	Confident	58 Å²	58	75.6 Å²	75.6	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-65.9	-43.5	174.6	-176.8	65.6	0	0	0	112	G413 A414 Q415 D419 L420 I421 I468 F472	G413-L417 WeakPolarHBondContact O-CB 3.35Å; G413-L417 PolarHBondContact O-N 3.07Å; G413-L417 VanDerWaalsContact O-N 3.11Å; A414-L417 PolarHBondContact O-N 3.4Å; Q415-L417 VanDerWaalsContact C-N 3.25Å; Q415-L417 PolarHBondContact O-N 2.95Å; L417-D419 VanDerWaalsContact C-N 3.33Å; L417-L420 PolarHBondContact O-N 3.49Å; L417-I421 HydrophobicContact CD1-CD1 4.36Å; L417-I421 HydrophobicContact CG-CD1 3.99Å; L417-I421 VanDerWaalsContact O-CG1 3.29Å; L417-I421 WeakPolarHBondContact O-CG1 3.26Å; L417-I421 PolarHBondContact O-N 3.48Å; L417-I468 HydrophobicContact CB-CG2 4.46Å; L417-I468 HydrophobicContact CD1-CG2 4.49Å; L417-F472 HydrophobicContact CB-CE2 4.18Å; L417-F472 HydrophobicContact CB-CZ 4.17Å; L417-F472 HydrophobicContact CD2-CE1 4.35Å; L417-F472 HydrophobicContact CD2-CE2 3.63Å; L417-F472 HydrophobicContact CD2-CZ 3.37Å; L417-F472 HydrophobicContact CG-CE2 4.42Å; L417-F472 HydrophobicContact CG-CZ 4.38Å
418	I	83.1	Confident	77.2	Confident	75 Å²	75	83 Å²	83	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-43.8	177.3	-70.6	163.5	0	0	0	110.5	A414 Q415 L420 I421 K422	A414-I418 WeakPolarHBondContact O-CD1 3.36Å; A414-I418 VanDerWaalsContact O-CG1 3.25Å; A414-I418 WeakPolarHBondContact O-CG1 3.46Å; A414-I418 PolarHBondContact O-N 3.15Å; Q415-I418 PolarHBondContact O-N 3.32Å; Q415-I418 VanDerWaalsContact O-N 3.1Å; I418-L420 VanDerWaalsContact C-N 3.32Å; I418-L420 PolarHBondContact O-N 2.97Å; I418-I421 PolarHBondContact O-N 3.26Å; I418-K422 HydrophobicContact CG2-CD 4Å; I418-K422 WeakPolarHBondContact O-CB 3.24Å; I418-K422 WeakPolarHBondContact O-CG 3.13Å; I418-K422 PolarHBondContact O-N 2.93Å
419	D	78.5	Confident	76.8	Confident	27 Å²	27	76.9 Å²	76.9	14%	0.144	39%	0.392	C	S	.	.	H	α-helix	trans	-64.3	-40.5	179.1	-64.5	-20.8	0	0	0	110.6	Q415 L417 K422 G423 Q424	Q415-D419 VanDerWaalsContact NE2-CG 3.3Å; Q415-D419 PolarHBondContact NE2-OD1 3.1Å; Q415-D419 PolarHBondContact NE2-OD2 2.77Å; Q415-D419 VanDerWaalsContact O-CG 3.22Å; Q415-D419 PolarHBondContact O-N 3.18Å; L417-D419 VanDerWaalsContact C-N 3.33Å; D419-K422 CarbonylContact O-C 3.59Å; D419-K422 PolarHBondContact O-N 3.44Å; D419-G423 PolarHBondContact O-N 3.35Å; D419-Q424 HydrophobicContact CB-CB 4.25Å; D419-Q424 PolarHBondContact O-N 2.96Å
420	L	78.3	Confident	76.3	Confident	73 Å²	73	69.5 Å²	69.5	38%	0.382	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-41	174.7	-173.5	69.7	0	0	0	112.7	V416 L417 I418 K422 G423 K465	V416-L420 VanDerWaalsContact O-CB 3.28Å; V416-L420 WeakPolarHBondContact O-CB 3.37Å; V416-L420 PolarHBondContact O-N 2.84Å; L417-L420 PolarHBondContact O-N 3.49Å; I418-L420 VanDerWaalsContact C-N 3.32Å; I418-L420 PolarHBondContact O-N 2.97Å; L420-K422 VanDerWaalsContact C-N 3.31Å; L420-G423 PolarHBondContact O-N 3.49Å; L420-K465 VanDerWaalsContact CD1-NZ 3.29Å
421	I	83	Confident	76	Confident	134 Å²	134	70 Å²	70	69%	0.687	37%	0.369	S	S	*	.	H	α-helix	trans	-66.6	-35.3	176.4	-68.6	165.3	0	0	0	110.9	L417 I418 G423	L417-I421 HydrophobicContact CD1-CD1 4.36Å; L417-I421 HydrophobicContact CG-CD1 3.99Å; L417-I421 VanDerWaalsContact O-CG1 3.29Å; L417-I421 WeakPolarHBondContact O-CG1 3.26Å; L417-I421 PolarHBondContact O-N 3.48Å; I418-I421 PolarHBondContact O-N 3.26Å; I421-G423 PolarHBondContact O-N 3.09Å
422	K	84.4	Confident	75.9	Confident	146 Å²	146	65 Å²	65	64%	0.635	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.2	175.3	-70.8	174.8	-179.5	174.7	0	113.5	I418 D419 L420 Q424	I418-K422 HydrophobicContact CG2-CD 4Å; I418-K422 WeakPolarHBondContact O-CB 3.24Å; I418-K422 WeakPolarHBondContact O-CG 3.13Å; I418-K422 PolarHBondContact O-N 2.93Å; D419-K422 CarbonylContact O-C 3.59Å; D419-K422 PolarHBondContact O-N 3.44Å; L420-K422 VanDerWaalsContact C-N 3.31Å; K422-Q424 VanDerWaalsContact C-N 3.25Å; K422-Q424 HydrophobicContact CB-CG 4.34Å; K422-Q424 PolarHBondContact O-N 3.48Å
423	G	77.5	Confident	76.2	Confident	57 Å²	57	64.6 Å²	64.6	59%	0.588	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	19.2	-175.2	0	0	0	0	0	113.8	D419 L420 I421 E425	D419-G423 PolarHBondContact O-N 3.35Å; L420-G423 PolarHBondContact O-N 3.49Å; I421-G423 PolarHBondContact O-N 3.09Å; G423-E425 PolarHBondContact O-N 3.03Å
424	Q	71.6	Confident	76.5	Confident	114 Å²	114	68.1 Å²	68.1	53%	0.533	35%	0.354	S	S	.	.			trans	-77.4	120.6	171.6	-67.8	-161.6	-22.6	0	0	109.3	D419 K422	D419-Q424 HydrophobicContact CB-CB 4.25Å; D419-Q424 PolarHBondContact O-N 2.96Å; K422-Q424 VanDerWaalsContact C-N 3.25Å; K422-Q424 HydrophobicContact CB-CG 4.34Å; K422-Q424 PolarHBondContact O-N 3.48Å
425	E	67.8	Low	76.8	Confident	113 Å²	113	67.9 Å²	67.9	53%	0.528	35%	0.349	S	S	.	.			trans	-84.5	166.3	-175.4	-62.1	-167.1	173.5	0	0	113.3	G423 H427 H428	G423-E425 PolarHBondContact O-N 3.03Å; E425-H427 PolarHBondContact O-N 3.31Å; E425-H427 IonicContact OE2-CD2 3.31Å; E425-H427 PolarHBondContact OE2-CD2 2.89Å; E425-H427 VanDerWaalsContact OE2-CD2 3.31Å; E425-H427 IonicContact OE2-NE2 3.52Å; E425-H428 PolarHBondContact O-N 3.47Å
426	W	68.1	Low	77.2	Confident	23 Å²	23	63.1 Å²	63.1	9%	0.087	33%	0.327	C	S	.	.	H	α-helix	trans	-54.1	-17.9	177.9	56.7	-84.3	0	0	0	114.7	F83 H428 S429 G430 P433 R434 V435	F83-W426 HydrophobicContact CD2-CZ3 4.26Å; F83-W426 HydrophobicContact CE2-CE3 4.02Å; F83-W426 AromaticContact CE2-CZ3 3.7Å; F83-W426 HydrophobicContact CE2-CZ3 3.7Å; W426-H428 VanDerWaalsContact C-N 3.28Å; W426-H428 PolarHBondContact O-N 2.94Å; W426-S429 PolarHBondContact O-N 3.26Å; W426-G430 PolarHBondContact O-N 3.49Å; W426-G430 VanDerWaalsContact O-N 3.07Å; W426-P433 HydrophobicContact CE3-CB 3.69Å; W426-P433 HydrophobicContact CZ3-CB 3.8Å; W426-R434 HydrophobicContact CD2-CB 4.49Å; W426-R434 HydrophobicContact CD2-CG 4.48Å; W426-R434 HydrophobicContact CG-CG 4.48Å; W426-R434 HydrophobicContact CZ2-CB 3.94Å; W426-V435 HydrophobicContact CH2-CB 3.71Å; W426-V435 HydrophobicContact CH2-CG2 3.84Å; W426-V435 HydrophobicContact CZ2-CB 4.44Å; W426-V435 HydrophobicContact CZ2-CG2 4.09Å
427	H	63.4	Low	77.9	Confident	73 Å²	73	62.9 Å²	62.9	34%	0.338	32%	0.324	S	S	.	.	H	α-helix	trans	-57.5	-34.9	-179.3	-69.3	-71.9	0	0	0	113.9	E425	E425-H427 PolarHBondContact O-N 3.31Å; E425-H427 IonicContact OE2-CD2 3.31Å; E425-H427 PolarHBondContact OE2-CD2 2.89Å; E425-H427 VanDerWaalsContact OE2-CD2 3.31Å; E425-H427 IonicContact OE2-NE2 3.52Å
428	H	61.5	Low	78.4	Confident	170 Å²	170	60.2 Å²	60.2	79%	0.787	31%	0.31	S	S	*	.	H	α-helix	trans	-89	-35.1	-178.1	-67.5	-63.4	0	0	0	113.4	E425 W426	E425-H428 PolarHBondContact O-N 3.47Å; W426-H428 VanDerWaalsContact C-N 3.28Å; W426-H428 PolarHBondContact O-N 2.94Å
429	S	68.7	Low	78.8	Confident	54 Å²	54	58.4 Å²	58.4	38%	0.378	30%	0.301	S	S	.	.	H	α-helix	trans	-82.5	-25.4	-174.9	67.5	0	0	0	0	112.5	W426 H431	W426-S429 PolarHBondContact O-N 3.26Å; S429-H431 PolarHBondContact O-N 3.3Å; S429-H431 VanDerWaalsContact O-N 3.11Å; S429-H431 PolarHBondContact OG-N 3.03Å
430	G	69.1	Low	79.3	Confident	21 Å²	21	57.3 Å²	57.3	22%	0.216	30%	0.295	C	S	.	.			trans	66.6	2.4	-170.7	0	0	0	0	0	113.2	W426	W426-G430 PolarHBondContact O-N 3.49Å; W426-G430 VanDerWaalsContact O-N 3.07Å
431	H	72.2	Confident	79.8	Confident	62 Å²	62	59.3 Å²	59.3	29%	0.287	30%	0.303	S	S	.	.	S	Bend	trans	-89.5	130.2	177.3	-62.1	-51.6	0	0	0	109.4	S429	S429-H431 PolarHBondContact O-N 3.3Å; S429-H431 VanDerWaalsContact O-N 3.11Å; S429-H431 PolarHBondContact OG-N 3.03Å
432	F	81.6	Confident	80	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.018	28%	0.276	C	S	.	.	S	Bend	trans	55.4	53.8	-176.5	-55.3	-86.8	0	0	0	114.9	Y103 I405 R434 N460 L463 E464 Y467	Y103-F432 HydrophobicContact CE2-CD1 4.23Å; Y103-F432 HydrophobicContact CE2-CE1 4.13Å; Y103-F432 WeakPolarHBondContact OH-CA 3.3Å; I405-F432 HydrophobicContact CD1-CE2 4.36Å; I405-F432 HydrophobicContact CD1-CZ 3.91Å; I405-F432 HydrophobicContact CG1-CZ 3.97Å; I405-F432 HydrophobicContact CG2-CE2 3.73Å; I405-F432 HydrophobicContact CG2-CZ 3.87Å; F432-R434 PolarHBondContact O-N 3.09Å; F432-N460 WeakPolarHBondContact CA-ND2 3.22Å; F432-N460 VanDerWaalsContact CD1-OD1 3.22Å; F432-N460 WeakPolarHBondContact CD1-OD1 3.34Å; F432-N460 PolarHBondContact O-ND2 3.14Å; F432-L463 HydrophobicContact CD1-CB 4.24Å; F432-L463 HydrophobicContact CE1-CB 4.08Å; F432-E464 HydrophobicContact CB-CB 4.06Å; F432-E464 HydrophobicContact CB-CG 4.17Å; F432-E464 HydrophobicContact CD1-CB 4.15Å; F432-E464 HydrophobicContact CD2-CB 4.42Å; F432-E464 HydrophobicContact CD2-CG 4.24Å; F432-E464 HydrophobicContact CG-CB 3.96Å; F432-E464 HydrophobicContact CG-CG 4.17Å; F432-Y467 AromaticContact CE1-CD2 3.88Å; F432-Y467 HydrophobicContact CE1-CD2 3.88Å; F432-Y467 AromaticContact CZ-CD2 3.99Å; F432-Y467 HydrophobicContact CZ-CD2 3.99Å; F432-Y467 HydrophobicContact CZ-CG 4.24Å
433	P	86	Confident	80	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.			trans	-65.6	131.1	179.9	29.3	-35.4	0	0	0	112.7	F83 L101 W426 T436 N460	F83-P433 HydrophobicContact CB-CB 4.39Å; F83-P433 HydrophobicContact CB-CG 4.16Å; F83-P433 HydrophobicContact CD2-CB 3.48Å; F83-P433 VanDerWaalsContact CD2-CB 3.48Å; F83-P433 HydrophobicContact CD2-CG 4.17Å; F83-P433 HydrophobicContact CE2-CB 4.07Å; F83-P433 HydrophobicContact CG-CB 4.12Å; F83-P433 HydrophobicContact CG-CG 4.35Å; L101-P433 HydrophobicContact CD1-CG 3.53Å; L101-P433 HydrophobicContact CD2-CG 3.66Å; L101-P433 HydrophobicContact CG-CG 4.26Å; W426-P433 HydrophobicContact CE3-CB 3.69Å; W426-P433 HydrophobicContact CZ3-CB 3.8Å; P433-T436 HydrophobicContact CB-CG2 4.29Å; P433-T436 HydrophobicContact CG-CG2 4.07Å; P433-N460 WeakPolarHBondContact CD-ND2 3.48Å; P433-N460 PolarHBondContact O-ND2 3.43Å
434	R	86.9	Confident	80.4	Confident	73 Å²	73	57.4 Å²	57.4	28%	0.275	28%	0.276	S	S	.	.	S	Bend	trans	-88	-21.6	-179	-60.5	179.1	-171.4	159.6	5.9	112.5	W426 F432 V456 L457 E464	W426-R434 HydrophobicContact CD2-CB 4.49Å; W426-R434 HydrophobicContact CD2-CG 4.48Å; W426-R434 HydrophobicContact CG-CG 4.48Å; W426-R434 HydrophobicContact CZ2-CB 3.94Å; F432-R434 PolarHBondContact O-N 3.09Å; R434-V456 CarbonylContact O-C 3.55Å; R434-V456 WeakPolarHBondContact O-CA 3.49Å; R434-L457 PolarHBondContact O-N 3.25Å; R434-E464 IonicContact CZ-OE2 3.81Å; R434-E464 IonicContact NE-OE2 3.85Å; R434-E464 IonicContact NH2-OE1 3.63Å; R434-E464 IonicContact NH2-OE2 3.99Å; R434-E464 PolarHBondContact NH2-OE2 3.12Å
435	V	89	Confident	81.1	Confident	25 Å²	25	60.9 Å²	60.9	15%	0.152	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.2	172.6	-173.8	0	0	0	0	108	W426 Q454 C455	W426-V435 HydrophobicContact CH2-CB 3.71Å; W426-V435 HydrophobicContact CH2-CG2 3.84Å; W426-V435 HydrophobicContact CZ2-CB 4.44Å; W426-V435 HydrophobicContact CZ2-CG2 4.09Å; V435-Q454 HydrophobicContact CG1-CG 3.55Å; V435-C455 WeakPolarHBondContact CA-O 3.35Å
436	T	91.1	Very high	82.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	163.6	-176.8	60	0	0	0	0	109.2	T81 Y82 L101 P433 C455	T81-T436 VanDerWaalsContact CB-OG1 3.28Å; T81-T436 WeakPolarHBondContact CB-OG1 3.45Å; T81-T436 WeakPolarHBondContact OG1-CB 3.5Å; T81-T436 PolarHBondContact OG1-OG1 3.24Å; Y82-T436 WeakPolarHBondContact O-CA 3.41Å; L101-T436 HydrophobicContact CD1-CG2 3.34Å; P433-T436 HydrophobicContact CB-CG2 4.29Å; P433-T436 HydrophobicContact CG-CG2 4.07Å; T436-C455 PolarHBondContact N-O 3.49Å; T436-C455 PolarHBondContact O-N 3.43Å; T436-C455 VanDerWaalsContact O-O 3.11Å; T436-C455 PolarHBondContact OG1-O 3.46Å
437	F	91.6	Very high	83.1	Confident	18 Å²	18	65.8 Å²	65.8	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.9	179	-65.9	-88.1	0	0	0	110.5	T81 Y82 A84 V86 L90 T452 L453 Q454	T81-F437 CarbonylContact C-O 3.58Å; T81-F437 WeakPolarHBondContact CA-O 3.39Å; T81-F437 WeakPolarHBondContact CB-O 3.41Å; Y82-F437 HydrophobicContact CD1-CB 4.47Å; Y82-F437 WeakPolarHBondContact CD1-O 3.41Å; Y82-F437 HydrophobicContact CD2-CB 4.12Å; Y82-F437 HydrophobicContact CE1-CB 3.96Å; Y82-F437 WeakPolarHBondContact CE1-O 3.37Å; Y82-F437 HydrophobicContact CE2-CB 3.56Å; Y82-F437 HydrophobicContact CE2-CG 4.39Å; Y82-F437 VanDerWaalsContact CZ-CB 3.47Å; Y82-F437 PolarHBondContact N-O 3.12Å; Y82-F437 PolarHBondContact O-N 3.39Å; A84-F437 HydrophobicContact CB-CD2 3.77Å; A84-F437 HydrophobicContact CB-CE2 3.97Å; A84-F437 WeakPolarHBondContact O-CE2 3Å; V86-F437 HydrophobicContact CG2-CZ 4.27Å; L90-F437 HydrophobicContact CD2-CB 4.48Å; L90-F437 HydrophobicContact CD2-CD1 3.95Å; L90-F437 HydrophobicContact CD2-CD2 4.06Å; L90-F437 HydrophobicContact CD2-CE1 4.15Å; L90-F437 HydrophobicContact CD2-CE2 4.26Å; L90-F437 HydrophobicContact CD2-CG 3.89Å; L90-F437 HydrophobicContact CD2-CZ 4.29Å; F437-T452 HydrophobicContact CB-CG2 4.31Å; F437-T452 HydrophobicContact CD1-CG2 4.11Å; F437-L453 WeakPolarHBondContact CA-O 3.45Å; F437-Q454 HydrophobicContact CD1-CB 4.19Å; F437-Q454 HydrophobicContact CE1-CB 3.88Å; F437-Q454 HydrophobicContact CE1-CG 3.96Å; F437-Q454 HydrophobicContact CZ-CG 4.3Å
438	C	92.5	Very high	84.3	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.014	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.5	-179.9	170.7	0	0	0	0	108.9	C76 T81 T452 L453	C76-C438 WeakPolarHBondContact CA-SG 3.25Å; C76-C438 HydrophobicContact CB-CB 3.64Å; C76-C438 WeakPolarHBondContact CB-SG 3.5Å; C76-C438 WeakPolarHBondContact SG-CB 3.31Å; C76-C438 CovalentContact SG-SG 2.03Å; C76-C438 PolarHBondContact SG-SG 3.36Å; T81-C438 HydrophobicContact CG2-CB 4.18Å; C438-T452 CarbonylContact O-C 3.58Å; C438-T452 WeakPolarHBondContact O-CA 3.28Å; C438-L453 PolarHBondContact N-O 3.02Å; C438-L453 PolarHBondContact O-N 3.4Å
439	D	91.1	Very high	85.5	Confident	37 Å²	37	62 Å²	62	20%	0.198	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.8	176.2	-61	-40.4	0	0	0	109.6	Y82 R96 V450 T452	Y82-D439 WeakPolarHBondContact CE1-OD2 3.34Å; Y82-D439 PolarHBondContact OH-OD1 2.89Å; Y82-D439 VanDerWaalsContact OH-OD1 3.14Å; Y82-D439 PolarHBondContact OH-OD2 3.33Å; R96-D439 VanDerWaalsContact CD-OD2 3.3Å; R96-D439 WeakPolarHBondContact CD-OD2 3.3Å; R96-D439 IonicContact CZ-OD2 2.67Å; R96-D439 IonicContact NE-OD2 2.64Å; R96-D439 IonicContact NH1-OD1 3.61Å; R96-D439 PolarHBondContact NH1-OD1 3.28Å; R96-D439 IonicContact NH1-OD2 2.97Å; R96-D439 PolarHBondContact NH1-OD2 3.36Å; D439-V450 HydrophobicContact CB-CG1 4.02Å; D439-T452 WeakPolarHBondContact OD1-CB 3.4Å; D439-T452 WeakPolarHBondContact OD1-CG2 3.47Å; D439-T452 PolarHBondContact OD1-OG1 2.9Å
440	L	90.9	Very high	86.5	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113	176.6	177.8	68.6	0	0	0	109.9	F64 Y71 A72 Y75 A442 V450 Y451 L453	F64-L440 HydrophobicContact CE2-CD2 3.87Å; F64-L440 HydrophobicContact CZ-CD2 4.31Å; Y71-L440 HydrophobicContact CE1-CD1 4.17Å; A72-L440 HydrophobicContact CB-CD2 3.96Å; Y75-L440 HydrophobicContact CD1-CD1 3.48Å; Y75-L440 VanDerWaalsContact CD1-CD1 3.48Å; Y75-L440 HydrophobicContact CD2-CD1 4.31Å; Y75-L440 HydrophobicContact CE1-CD1 3.86Å; Y75-L440 HydrophobicContact CG-CD1 3.73Å; L440-A442 PolarHBondContact O-N 2.85Å; L440-V450 WeakPolarHBondContact O-CA 3.26Å; L440-Y451 PolarHBondContact N-O 2.93Å; L440-Y451 PolarHBondContact O-N 3.08Å; L440-L453 HydrophobicContact CB-CD1 4.2Å; L440-L453 HydrophobicContact CD2-CD1 4.24Å
441	E	88.3	Confident	87.5	Confident	115 Å²	115	64.7 Å²	64.7	54%	0.537	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	93.9	174.3	-60.7	-169.7	176.3	0	0	111.1	V450	E441-V450 HydrophobicContact CG-CG2 4.26Å
442	A	86.4	Confident	88.4	Confident	15 Å²	15	64.4 Å²	64.4	12%	0.124	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	112.4	175.3	0	0	0	0	0	110.5	L440 K444 H449 Y451	L440-A442 PolarHBondContact O-N 2.85Å; A442-K444 PolarHBondContact O-N 2.83Å; A442-H449 PolarHBondContact N-O 3.26Å; A442-H449 PolarHBondContact O-N 3.04Å; A442-Y451 HydrophobicContact CB-CD2 4.07Å; A442-Y451 HydrophobicContact CB-CE2 3.89Å
443	K	85.2	Confident	88.9	Confident	170 Å²	170	64.4 Å²	64.4	74%	0.739	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.8	174.3	-65.2	-164.6	176.4	-166.3	0	110.4
444	K	84.7	Confident	89.3	Confident	112 Å²	112	68.2 Å²	68.2	49%	0.487	36%	0.355	S	S	.	.			trans	-114.9	157.1	167	-65.5	-177.3	-179.4	172.7	0	108.6	A442 G446	A442-K444 PolarHBondContact O-N 2.83Å; K444-G446 PolarHBondContact O-N 3.22Å
445	L	86.5	Confident	89.6	Confident	187 Å²	187	64.7 Å²	64.7	98%	0.979	34%	0.342	S	S	*	.	S	Bend	trans	-56.5	128	175.4	-74.7	158	0	0	0	109.6	K447	L445-K447 PolarHBondContact O-N 3.23Å
446	G	89.1	Confident	89.8	Confident	92 Å²	92	66.6 Å²	66.6	95%	0.948	35%	0.353	S	S	*	.	S	Bend	trans	94.8	-56.8	178.2	0	0	0	0	0	115.1	K444	K444-G446 PolarHBondContact O-N 3.22Å
447	K	89.1	Confident	89.7	Confident	148 Å²	148	66.6 Å²	66.6	64%	0.643	35%	0.353	S	S	*	.	S	Bend	trans	-135.5	134	-177.1	-170.6	176.3	179.9	178.9	0	112.2	L445 H449	L445-K447 PolarHBondContact O-N 3.23Å; K447-H449 PolarHBondContact O-CD2 2.97Å
448	N	88.4	Confident	89.5	Confident	87 Å²	87	67.2 Å²	67.2	47%	0.465	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130	170.4	-62.4	-13.5	0	0	0	109.4
449	H	87.9	Confident	89.3	Confident	76 Å²	76	67.1 Å²	67.1	35%	0.352	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.4	174.9	-69.5	-90.5	0	0	0	109.2	A442 K447 Y451	A442-H449 PolarHBondContact N-O 3.26Å; A442-H449 PolarHBondContact O-N 3.04Å; K447-H449 PolarHBondContact O-CD2 2.97Å; H449-Y451 HydrophobicContact CB-CD2 4.34Å; H449-Y451 HydrophobicContact CB-CE2 3.74Å
450	V	88.7	Confident	89.1	Confident	85 Å²	85	65.3 Å²	65.3	52%	0.515	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117	173.4	-173.7	0	0	0	0	107.8	D439 L440 E441	D439-V450 HydrophobicContact CB-CG1 4.02Å; L440-V450 WeakPolarHBondContact O-CA 3.26Å; E441-V450 HydrophobicContact CG-CG2 4.26Å
451	Y	90.3	Very high	88.9	Confident	46 Å²	46	69.8 Å²	69.8	18%	0.18	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.6	173.9	-65.2	-87.8	0	0	0	108.6	P61 F64 L440 A442 H449	P61-Y451 HydrophobicContact CG-CD1 4.15Å; P61-Y451 HydrophobicContact CG-CE1 4.43Å; F64-Y451 HydrophobicContact CE1-CE2 4.43Å; F64-Y451 HydrophobicContact CZ-CD2 4.17Å; F64-Y451 HydrophobicContact CZ-CE2 4.13Å; F64-Y451 HydrophobicContact CZ-CG 4.41Å; L440-Y451 PolarHBondContact N-O 2.93Å; L440-Y451 PolarHBondContact O-N 3.08Å; A442-Y451 HydrophobicContact CB-CD2 4.07Å; A442-Y451 HydrophobicContact CB-CE2 3.89Å; H449-Y451 HydrophobicContact CB-CD2 4.34Å; H449-Y451 HydrophobicContact CB-CE2 3.74Å
452	T	91.5	Very high	89	Confident	57 Å²	57	68.2 Å²	68.2	35%	0.35	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.8	170.7	-59.1	0	0	0	0	109	L90 F437 C438 D439	L90-T452 HydrophobicContact CD1-CG2 3.79Å; F437-T452 HydrophobicContact CB-CG2 4.31Å; F437-T452 HydrophobicContact CD1-CG2 4.11Å; C438-T452 CarbonylContact O-C 3.58Å; C438-T452 WeakPolarHBondContact O-CA 3.28Å; D439-T452 WeakPolarHBondContact OD1-CB 3.4Å; D439-T452 WeakPolarHBondContact OD1-CG2 3.47Å; D439-T452 PolarHBondContact OD1-OG1 2.9Å
453	L	92.6	Very high	89.1	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.6	-179.4	-53.6	178.2	0	0	0	109.9	C58 I60 A72 F437 C438 L440	C58-L453 HydrophobicContact CB-CB 4.43Å; I60-L453 HydrophobicContact CG1-CD1 4.38Å; A72-L453 HydrophobicContact CB-CD1 3.87Å; F437-L453 WeakPolarHBondContact CA-O 3.45Å; C438-L453 PolarHBondContact N-O 3.02Å; C438-L453 PolarHBondContact O-N 3.4Å; L440-L453 HydrophobicContact CB-CD1 4.2Å; L440-L453 HydrophobicContact CD2-CD1 4.24Å
454	Q	93.4	Very high	89.3	Confident	79 Å²	79	60 Å²	60	37%	0.369	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.2	171.5	-178.8	177.3	-18.3	0	0	108.8	W59 V435 F437	W59-Q454 HydrophobicContact CB-CB 4.27Å; W59-Q454 WeakPolarHBondContact CB-O 3.43Å; W59-Q454 PolarHBondContact N-O 3.13Å; V435-Q454 HydrophobicContact CG1-CG 3.55Å; F437-Q454 HydrophobicContact CD1-CB 4.19Å; F437-Q454 HydrophobicContact CE1-CB 3.88Å; F437-Q454 HydrophobicContact CE1-CG 3.96Å; F437-Q454 HydrophobicContact CZ-CG 4.3Å
455	C	94.1	Very high	89.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.1	-175.4	-57.5	0	0	0	0	112	I56 Q57 C58 V435 T436	I56-C455 HydrophobicContact CD1-CB 3.7Å; I56-C455 HydrophobicContact CG1-CB 3.81Å; Q57-C455 CarbonylContact O-C 3.52Å; Q57-C455 WeakPolarHBondContact O-CA 3.31Å; C58-C455 HydrophobicContact CB-CB 4.1Å; C58-C455 WeakPolarHBondContact CB-SG 3.06Å; C58-C455 WeakPolarHBondContact SG-CB 3.44Å; C58-C455 CovalentContact SG-SG 2.05Å; C58-C455 PolarHBondContact SG-SG 3.16Å; V435-C455 WeakPolarHBondContact CA-O 3.35Å; T436-C455 PolarHBondContact N-O 3.49Å; T436-C455 PolarHBondContact O-N 3.43Å; T436-C455 VanDerWaalsContact O-O 3.11Å; T436-C455 PolarHBondContact OG1-O 3.46Å
456	V	92	Very high	89.7	Confident	65 Å²	65	50.1 Å²	50.1	39%	0.394	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.8	172.1	-175.2	0	0	0	0	108.8	Q57 R434 P458	Q57-V456 PolarHBondContact N-O 3.4Å; Q57-V456 VanDerWaalsContact N-O 3.13Å; Q57-V456 PolarHBondContact O-N 3.01Å; R434-V456 CarbonylContact O-C 3.55Å; R434-V456 WeakPolarHBondContact O-CA 3.49Å; V456-P458 HydrophobicContact CG1-CG 4.33Å; V456-P458 WeakPolarHBondContact O-CD 3.39Å
457	L	89.7	Confident	89.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.			trans	-120.4	77.6	-175.7	-139	70.8	0	0	0	110.9	I56 W77 Y104 R434 L459 N460	I56-L457 HydrophobicContact CB-CD1 3.84Å; I56-L457 HydrophobicContact CD1-CD1 3.6Å; I56-L457 HydrophobicContact CG1-CD1 3.57Å; W77-L457 HydrophobicContact CE3-CD1 4.41Å; W77-L457 HydrophobicContact CZ3-CD1 4.21Å; Y104-L457 HydrophobicContact CD1-CD2 3.6Å; Y104-L457 HydrophobicContact CD2-CD2 4.34Å; Y104-L457 HydrophobicContact CE1-CD2 3.65Å; Y104-L457 HydrophobicContact CE2-CD2 4.41Å; Y104-L457 HydrophobicContact CG-CD2 3.96Å; R434-L457 PolarHBondContact O-N 3.25Å; L457-L459 PolarHBondContact O-N 3.33Å; L457-L459 VanDerWaalsContact O-N 3.14Å; L457-N460 WeakPolarHBondContact O-CB 3.49Å; L457-N460 PolarHBondContact O-N 2.97Å; L457-N460 VanDerWaalsContact O-N 3.1Å
458	P	88	Confident	89.8	Confident	30 Å²	30	39.3 Å²	39.3	20%	0.195	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-24.1	-176	-22.7	34	0	0	0	113.7	R49 V456 N460 M461 F462	R49-P458 VanDerWaalsContact NH2-CB 3.26Å; V456-P458 HydrophobicContact CG1-CG 4.33Å; V456-P458 WeakPolarHBondContact O-CD 3.39Å; P458-N460 PolarHBondContact O-N 2.73Å; P458-M461 WeakPolarHBondContact O-CB 3.48Å; P458-M461 PolarHBondContact O-N 2.84Å; P458-F462 WeakPolarHBondContact O-CD2 3.29Å
459	L	88.1	Confident	90.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-35.2	176.2	-169.5	68.5	0	0	0	111.8	I46 R49 W77 L457 M461 F462 L463	I46-L459 HydrophobicContact CG2-CD1 4.13Å; R49-L459 HydrophobicContact CB-CD1 3.88Å; R49-L459 HydrophobicContact CG-CD1 3.79Å; W77-L459 HydrophobicContact CH2-CD2 3.75Å; L457-L459 PolarHBondContact O-N 3.33Å; L457-L459 VanDerWaalsContact O-N 3.14Å; L459-M461 VanDerWaalsContact C-N 3.26Å; L459-M461 PolarHBondContact O-N 2.78Å; L459-F462 PolarHBondContact O-N 3.15Å; L459-F462 VanDerWaalsContact O-N 3.1Å; L459-L463 HydrophobicContact CD2-CD1 4.34Å; L459-L463 HydrophobicContact CG-CD1 4.24Å; L459-L463 HydrophobicContact CG-CG 4.34Å; L459-L463 PolarHBondContact O-N 3.4Å
460	N	87.1	Confident	90.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-30.6	-175.7	-137.4	11.1	0	0	0	112.6	Y103 F432 P433 L457 P458 F462 L463 E464	Y103-N460 PolarHBondContact OH-ND2 3.17Å; Y103-N460 PolarHBondContact OH-OD1 3.24Å; F432-N460 WeakPolarHBondContact CA-ND2 3.22Å; F432-N460 VanDerWaalsContact CD1-OD1 3.22Å; F432-N460 WeakPolarHBondContact CD1-OD1 3.34Å; F432-N460 PolarHBondContact O-ND2 3.14Å; P433-N460 WeakPolarHBondContact CD-ND2 3.48Å; P433-N460 PolarHBondContact O-ND2 3.43Å; L457-N460 WeakPolarHBondContact O-CB 3.49Å; L457-N460 PolarHBondContact O-N 2.97Å; L457-N460 VanDerWaalsContact O-N 3.1Å; P458-N460 PolarHBondContact O-N 2.73Å; N460-F462 VanDerWaalsContact C-N 3.29Å; N460-F462 PolarHBondContact O-N 3.37Å; N460-L463 PolarHBondContact O-N 3.12Å; N460-E464 VanDerWaalsContact O-CB 3.3Å; N460-E464 WeakPolarHBondContact O-CB 3.41Å; N460-E464 PolarHBondContact O-N 2.75Å
461	M	86.7	Confident	90.6	Very high	97 Å²	97	32.7 Å²	32.7	48%	0.478	16%	0.159	S	C	.	.	H	α-helix	trans	-59.7	-40.7	173.1	-178.3	-176.4	-164.7	0	0	111.6	P458 L459	P458-M461 WeakPolarHBondContact O-CB 3.48Å; P458-M461 PolarHBondContact O-N 2.84Å; L459-M461 VanDerWaalsContact C-N 3.26Å; L459-M461 PolarHBondContact O-N 2.78Å
462	F	88.7	Confident	90.9	Very high	83 Å²	83	34.4 Å²	34.4	36%	0.364	17%	0.168	S	C	.	.	H	α-helix	trans	-73.7	-45.4	177.1	-66	-77.3	0	0	0	111.2	L45 R49 P458 L459 N460 E464 K465 I466	L45-F462 HydrophobicContact CD2-CB 4.44Å; L45-F462 HydrophobicContact CD2-CD1 4.23Å; R49-F462 HydrophobicContact CG-CD2 4.18Å; R49-F462 HydrophobicContact CG-CE2 4.16Å; P458-F462 WeakPolarHBondContact O-CD2 3.29Å; L459-F462 PolarHBondContact O-N 3.15Å; L459-F462 VanDerWaalsContact O-N 3.1Å; N460-F462 VanDerWaalsContact C-N 3.29Å; N460-F462 PolarHBondContact O-N 3.37Å; F462-E464 VanDerWaalsContact C-N 3.31Å; F462-E464 PolarHBondContact O-N 3.4Å; F462-K465 PolarHBondContact O-N 3.28Å; F462-I466 HydrophobicContact CB-CD1 4.48Å; F462-I466 VanDerWaalsContact O-CG1 3.25Å; F462-I466 WeakPolarHBondContact O-CG1 3.3Å; F462-I466 PolarHBondContact O-N 2.82Å
463	L	89.8	Confident	91.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58	-43.6	178.4	-69.1	179.1	0	0	0	111.6	I46 Y103 A107 F432 L459 N460 K465 I466 Y467	I46-L463 HydrophobicContact CD1-CD2 3.54Å; I46-L463 HydrophobicContact CG1-CD2 3.92Å; Y103-L463 HydrophobicContact CE2-CD1 4.3Å; A107-L463 HydrophobicContact CB-CD1 4.13Å; A107-L463 HydrophobicContact CB-CD2 3.87Å; F432-L463 HydrophobicContact CD1-CB 4.24Å; F432-L463 HydrophobicContact CE1-CB 4.08Å; L459-L463 HydrophobicContact CD2-CD1 4.34Å; L459-L463 HydrophobicContact CG-CD1 4.24Å; L459-L463 HydrophobicContact CG-CG 4.34Å; L459-L463 PolarHBondContact O-N 3.4Å; N460-L463 PolarHBondContact O-N 3.12Å; L463-K465 VanDerWaalsContact C-N 3.31Å; L463-K465 PolarHBondContact O-N 2.92Å; L463-I466 PolarHBondContact O-N 3.33Å; L463-Y467 HydrophobicContact CB-CD2 4.16Å; L463-Y467 HydrophobicContact CB-CE2 4.36Å; L463-Y467 HydrophobicContact CD2-CE2 4.08Å; L463-Y467 WeakPolarHBondContact O-CB 3.31Å; L463-Y467 VanDerWaalsContact O-CD2 3.25Å; L463-Y467 WeakPolarHBondContact O-CD2 3.47Å; L463-Y467 PolarHBondContact O-N 3.42Å
464	E	88	Confident	91.2	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-50.2	-52	175.5	-170.4	-159.7	134.1	0	0	110.7	F432 R434 N460 F462 I468	F432-E464 HydrophobicContact CB-CB 4.06Å; F432-E464 HydrophobicContact CB-CG 4.17Å; F432-E464 HydrophobicContact CD1-CB 4.15Å; F432-E464 HydrophobicContact CD2-CB 4.42Å; F432-E464 HydrophobicContact CD2-CG 4.24Å; F432-E464 HydrophobicContact CG-CB 3.96Å; F432-E464 HydrophobicContact CG-CG 4.17Å; R434-E464 IonicContact CZ-OE2 3.81Å; R434-E464 IonicContact NE-OE2 3.85Å; R434-E464 IonicContact NH2-OE1 3.63Å; R434-E464 IonicContact NH2-OE2 3.99Å; R434-E464 PolarHBondContact NH2-OE2 3.12Å; N460-E464 VanDerWaalsContact O-CB 3.3Å; N460-E464 WeakPolarHBondContact O-CB 3.41Å; N460-E464 PolarHBondContact O-N 2.75Å; F462-E464 VanDerWaalsContact C-N 3.31Å; F462-E464 PolarHBondContact O-N 3.4Å; E464-I468 HydrophobicContact CG-CD1 4.14Å; E464-I468 VanDerWaalsContact O-CD1 3.31Å; E464-I468 WeakPolarHBondContact O-CD1 3.36Å; E464-I468 WeakPolarHBondContact O-CG1 3.38Å; E464-I468 PolarHBondContact O-N 2.93Å
465	K	88.5	Confident	91.3	Very high	81 Å²	81	33.4 Å²	33.4	35%	0.352	16%	0.16	S	C	.	.	H	α-helix	trans	-70.3	-40.9	-178.4	-55.3	-45.9	178.2	-164	0	112.8	L420 F462 L463 I468 F469	L420-K465 VanDerWaalsContact CD1-NZ 3.29Å; F462-K465 PolarHBondContact O-N 3.28Å; L463-K465 VanDerWaalsContact C-N 3.31Å; L463-K465 PolarHBondContact O-N 2.92Å; K465-I468 HydrophobicContact CD-CD1 4.47Å; K465-I468 PolarHBondContact O-N 2.92Å; K465-F469 WeakPolarHBondContact O-CB 3.49Å; K465-F469 PolarHBondContact O-N 3.49Å
466	I	92.4	Very high	91.4	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.046	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-47.3	177.8	-65.3	165.7	0	0	0	110.2	F42 L45 I46 M111 F462 L463 F469 L470	F42-I466 HydrophobicContact CB-CG2 3.98Å; F42-I466 HydrophobicContact CD1-CB 4.47Å; F42-I466 HydrophobicContact CD1-CD1 4.16Å; F42-I466 HydrophobicContact CD1-CG1 3.83Å; F42-I466 HydrophobicContact CD1-CG2 3.9Å; F42-I466 HydrophobicContact CD2-CG2 3.78Å; F42-I466 HydrophobicContact CE1-CG1 4.13Å; F42-I466 HydrophobicContact CE1-CG2 4.33Å; F42-I466 HydrophobicContact CE2-CG2 4.2Å; F42-I466 HydrophobicContact CG-CG1 4.38Å; F42-I466 HydrophobicContact CG-CG2 3.62Å; F42-I466 HydrophobicContact CZ-CG2 4.47Å; L45-I466 HydrophobicContact CD2-CD1 3.78Å; I46-I466 HydrophobicContact CD1-CD1 3.99Å; I46-I466 HydrophobicContact CG1-CD1 3.77Å; M111-I466 HydrophobicContact CE-CG2 3.61Å; M111-I466 HydrophobicContact SD-CG2 4.46Å; F462-I466 HydrophobicContact CB-CD1 4.48Å; F462-I466 VanDerWaalsContact O-CG1 3.25Å; F462-I466 WeakPolarHBondContact O-CG1 3.3Å; F462-I466 PolarHBondContact O-N 2.82Å; L463-I466 PolarHBondContact O-N 3.33Å; I466-F469 PolarHBondContact O-N 3.1Å; I466-L470 HydrophobicContact CG2-CD1 3.75Å; I466-L470 HydrophobicContact CG2-CG 4.14Å; I466-L470 WeakPolarHBondContact O-CB 3.4Å; I466-L470 VanDerWaalsContact O-CG 3.29Å; I466-L470 WeakPolarHBondContact O-CG 3.12Å; I466-L470 PolarHBondContact O-N 3.36Å
467	Y	91.1	Very high	91.7	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-35.7	-178.8	-84	-69.3	0	0	0	113	M111 M401 F404 I405 Y412 F432 L463 W471	M111-Y467 HydrophobicContact CE-CD2 4.48Å; M111-Y467 HydrophobicContact CE-CE1 4.17Å; M111-Y467 HydrophobicContact CE-CE2 3.87Å; M401-Y467 HydrophobicContact CG-CD1 3.7Å; M401-Y467 HydrophobicContact CG-CE1 3.99Å; M401-Y467 HydrophobicContact SD-CD1 3.65Å; M401-Y467 HydrophobicContact SD-CE1 4.17Å; F404-Y467 HydrophobicContact CD1-CE1 4.24Å; F404-Y467 HydrophobicContact CD1-CE2 4.49Å; F404-Y467 AromaticContact CD1-CZ 3.82Å; F404-Y467 WeakPolarHBondContact CD1-OH 3.41Å; F404-Y467 HydrophobicContact CE1-CE1 4.49Å; F404-Y467 HydrophobicContact CE1-CE2 4.07Å; F404-Y467 AromaticContact CE1-CZ 3.63Å; F404-Y467 WeakPolarHBondContact CE1-OH 3.18Å; I405-Y467 HydrophobicContact CD1-CD1 3.97Å; I405-Y467 HydrophobicContact CD1-CG 4.06Å; Y412-Y467 PolarHBondContact OH-O 3Å; F432-Y467 AromaticContact CE1-CD2 3.88Å; F432-Y467 HydrophobicContact CE1-CD2 3.88Å; F432-Y467 AromaticContact CZ-CD2 3.99Å; F432-Y467 HydrophobicContact CZ-CD2 3.99Å; F432-Y467 HydrophobicContact CZ-CG 4.24Å; L463-Y467 HydrophobicContact CB-CD2 4.16Å; L463-Y467 HydrophobicContact CB-CE2 4.36Å; L463-Y467 HydrophobicContact CD2-CE2 4.08Å; L463-Y467 WeakPolarHBondContact O-CB 3.31Å; L463-Y467 VanDerWaalsContact O-CD2 3.25Å; L463-Y467 WeakPolarHBondContact O-CD2 3.47Å; L463-Y467 PolarHBondContact O-N 3.42Å; Y467-W471 WeakPolarHBondContact O-CB 3.2Å; Y467-W471 PolarHBondContact O-N 3.01Å
468	I	89.9	Confident	92	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-50.9	171.3	-67.6	162.5	0	0	0	109.5	V416 L417 E464 K465 L470 W471 F472	V416-I468 HydrophobicContact CB-CD1 4.41Å; V416-I468 HydrophobicContact CB-CG1 4.29Å; V416-I468 HydrophobicContact CG1-CD1 3.51Å; V416-I468 HydrophobicContact CG1-CG1 3.82Å; L417-I468 HydrophobicContact CB-CG2 4.46Å; L417-I468 HydrophobicContact CD1-CG2 4.49Å; E464-I468 HydrophobicContact CG-CD1 4.14Å; E464-I468 VanDerWaalsContact O-CD1 3.31Å; E464-I468 WeakPolarHBondContact O-CD1 3.36Å; E464-I468 WeakPolarHBondContact O-CG1 3.38Å; E464-I468 PolarHBondContact O-N 2.93Å; K465-I468 HydrophobicContact CD-CD1 4.47Å; K465-I468 PolarHBondContact O-N 2.92Å; I468-L470 PolarHBondContact O-N 3.12Å; I468-W471 WeakPolarHBondContact O-CB 3.37Å; I468-W471 PolarHBondContact O-N 3.31Å; I468-F472 HydrophobicContact CG2-CD2 4.12Å; I468-F472 HydrophobicContact CG2-CE2 3.78Å; I468-F472 WeakPolarHBondContact O-CD2 3.25Å; I468-F472 PolarHBondContact O-N 3.44Å
469	F	93.4	Very high	92.4	Very high	93 Å²	93	39.8 Å²	39.8	41%	0.408	19%	0.187	S	C	.	.	H	α-helix	trans	-60.1	-47.2	179.7	173.5	-95.4	0	0	0	112.1	L38 F42 K465 I466 W471 F472 W473	L38-F469 HydrophobicContact CD1-CE1 4Å; L38-F469 HydrophobicContact CD2-CE1 3.86Å; L38-F469 HydrophobicContact CG-CE1 4.39Å; F42-F469 AromaticContact CE2-CD1 3.63Å; F42-F469 HydrophobicContact CE2-CD1 3.63Å; F42-F469 AromaticContact CE2-CE1 3.76Å; F42-F469 HydrophobicContact CE2-CE1 3.76Å; F42-F469 AromaticContact CZ-CD1 3.41Å; F42-F469 HydrophobicContact CZ-CD1 3.41Å; F42-F469 VanDerWaalsContact CZ-CD1 3.41Å; F42-F469 AromaticContact CZ-CE1 3.59Å; F42-F469 HydrophobicContact CZ-CE1 3.59Å; F42-F469 HydrophobicContact CZ-CG 4.39Å; K465-F469 WeakPolarHBondContact O-CB 3.49Å; K465-F469 PolarHBondContact O-N 3.49Å; I466-F469 PolarHBondContact O-N 3.1Å; F469-W471 VanDerWaalsContact C-N 3.27Å; F469-W471 PolarHBondContact O-N 3.05Å; F469-F472 PolarHBondContact O-N 2.8Å; F469-W473 HydrophobicContact CZ-CE3 4.38Å; F469-W473 WeakPolarHBondContact O-CB 3.31Å; F469-W473 PolarHBondContact O-N 3.39Å
470	L	94.3	Very high	92.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-38.9	177.2	-76.6	177.7	0	0	0	111.2	L38 L39 F42 M111 M401 I466 I468 F472 W473 H474	L38-L470 HydrophobicContact CD2-CD2 4.35Å; L39-L470 HydrophobicContact CD2-CD1 3.91Å; L39-L470 HydrophobicContact CD2-CD2 3.82Å; F42-L470 HydrophobicContact CD2-CD1 4.26Å; F42-L470 HydrophobicContact CD2-CD2 3.88Å; F42-L470 HydrophobicContact CD2-CG 4.13Å; F42-L470 HydrophobicContact CE2-CD2 3.69Å; F42-L470 HydrophobicContact CE2-CG 3.99Å; M111-L470 HydrophobicContact CE-CD1 4.02Å; M401-L470 HydrophobicContact SD-CB 4.27Å; I466-L470 HydrophobicContact CG2-CD1 3.75Å; I466-L470 HydrophobicContact CG2-CG 4.14Å; I466-L470 WeakPolarHBondContact O-CB 3.4Å; I466-L470 VanDerWaalsContact O-CG 3.29Å; I466-L470 WeakPolarHBondContact O-CG 3.12Å; I466-L470 PolarHBondContact O-N 3.36Å; I468-L470 PolarHBondContact O-N 3.12Å; L470-F472 PolarHBondContact O-N 3.23Å; L470-W473 WeakPolarHBondContact O-CB 3.46Å; L470-W473 PolarHBondContact O-N 3.3Å; L470-H474 PolarHBondContact O-N 3.46Å; L470-H474 PolarHBondContact O-ND1 3.26Å
471	W	93.9	Very high	93.4	Very high	16 Å²	16	42.3 Å²	42.3	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-51.1	176.7	-172.3	90.4	0	0	0	112.5	M401 T410 L411 Y412 A414 Y467 I468 F469 W473 H474 V475	M401-W471 VanDerWaalsContact CE-CA 3.46Å; M401-W471 HydrophobicContact CE-CB 3.69Å; M401-W471 HydrophobicContact CE-CG 4.06Å; T410-W471 PolarHBondContact O-NE1 3.19Å; L411-W471 HydrophobicContact CB-CZ2 4.45Å; L411-W471 HydrophobicContact CD2-CH2 4.08Å; L411-W471 HydrophobicContact CD2-CZ2 3.7Å; Y412-W471 AromaticContact CD1-CD1 3.81Å; Y412-W471 HydrophobicContact CE1-CB 4.45Å; Y412-W471 AromaticContact CE1-CD1 3.36Å; Y412-W471 HydrophobicContact CE1-CG 4.17Å; Y412-W471 AromaticContact CZ-CD1 3.82Å; A414-W471 HydrophobicContact CB-CH2 3.89Å; A414-W471 HydrophobicContact CB-CZ3 4.04Å; Y467-W471 WeakPolarHBondContact O-CB 3.2Å; Y467-W471 PolarHBondContact O-N 3.01Å; I468-W471 WeakPolarHBondContact O-CB 3.37Å; I468-W471 PolarHBondContact O-N 3.31Å; F469-W471 VanDerWaalsContact C-N 3.27Å; F469-W471 PolarHBondContact O-N 3.05Å; W471-W473 VanDerWaalsContact C-N 3.3Å; W471-W473 PolarHBondContact O-N 3.38Å; W471-H474 PolarHBondContact O-N 3.29Å; W471-V475 HydrophobicContact CD2-CG2 4.18Å; W471-V475 HydrophobicContact CE3-CG2 4.25Å; W471-V475 HydrophobicContact CH2-CG2 4Å; W471-V475 HydrophobicContact CZ2-CG2 3.92Å; W471-V475 HydrophobicContact CZ3-CG2 4.16Å; W471-V475 WeakPolarHBondContact O-CG2 3.43Å; W471-V475 PolarHBondContact O-N 3.46Å
472	F	94.9	Very high	93.9	Very high	81 Å²	81	41.2 Å²	41.2	36%	0.355	20%	0.195	S	C	.	.	H	α-helix	trans	-62.2	-39.4	176.5	-71.8	-74.4	0	0	0	112.2	L417 I468 F469 L470 V475 L476	L417-F472 HydrophobicContact CB-CE2 4.18Å; L417-F472 HydrophobicContact CB-CZ 4.17Å; L417-F472 HydrophobicContact CD2-CE1 4.35Å; L417-F472 HydrophobicContact CD2-CE2 3.63Å; L417-F472 HydrophobicContact CD2-CZ 3.37Å; L417-F472 HydrophobicContact CG-CE2 4.42Å; L417-F472 HydrophobicContact CG-CZ 4.38Å; I468-F472 HydrophobicContact CG2-CD2 4.12Å; I468-F472 HydrophobicContact CG2-CE2 3.78Å; I468-F472 WeakPolarHBondContact O-CD2 3.25Å; I468-F472 PolarHBondContact O-N 3.44Å; F469-F472 PolarHBondContact O-N 2.8Å; L470-F472 PolarHBondContact O-N 3.23Å; F472-V475 PolarHBondContact O-N 3.29Å; F472-L476 WeakPolarHBondContact O-CB 3.38Å; F472-L476 PolarHBondContact O-N 2.82Å
473	W	96.2	Very high	94.3	Very high	61 Å²	61	40.7 Å²	40.7	23%	0.231	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-45.9	176.6	-174.9	-100.2	0	0	0	112.4	L30 T35 L38 F469 L470 W471 L476 I477	L30-W473 HydrophobicContact CD1-CH2 4.21Å; L30-W473 HydrophobicContact CD1-CZ2 4.05Å; T35-W473 PolarHBondContact OG1-NE1 3.43Å; L38-W473 HydrophobicContact CD2-CD2 3.77Å; L38-W473 HydrophobicContact CD2-CG 3.85Å; L38-W473 HydrophobicContact CD2-CZ2 4.21Å; F469-W473 HydrophobicContact CZ-CE3 4.38Å; F469-W473 WeakPolarHBondContact O-CB 3.31Å; F469-W473 PolarHBondContact O-N 3.39Å; L470-W473 WeakPolarHBondContact O-CB 3.46Å; L470-W473 PolarHBondContact O-N 3.3Å; W471-W473 VanDerWaalsContact C-N 3.3Å; W471-W473 PolarHBondContact O-N 3.38Å; W473-L476 PolarHBondContact O-N 3.37Å; W473-I477 HydrophobicContact CD2-CD1 4.38Å; W473-I477 HydrophobicContact CG-CD1 4.32Å; W473-I477 HydrophobicContact CZ2-CD1 4.18Å; W473-I477 WeakPolarHBondContact O-CG1 3.44Å; W473-I477 PolarHBondContact O-N 3.32Å
474	H	95.8	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-39.8	177.8	-73.1	87.8	0	0	0	112	F118 V394 I398 L470 W471 I477 A478	F118-H474 AromaticContact CE2-CD2 3.86Å; F118-H474 AromaticContact CE2-NE2 3.38Å; F118-H474 WeakPolarHBondContact CE2-NE2 3.25Å; F118-H474 AromaticContact CZ-CD2 3.55Å; F118-H474 AromaticContact CZ-NE2 3.6Å; V394-H474 HydrophobicContact CG2-CB 4.23Å; V394-H474 VanDerWaalsContact CG2-O 3.25Å; V394-H474 WeakPolarHBondContact CG2-O 3.37Å; I398-H474 HydrophobicContact CD1-CB 4.29Å; I398-H474 HydrophobicContact CG1-CB 3.83Å; L470-H474 PolarHBondContact O-N 3.46Å; L470-H474 PolarHBondContact O-ND1 3.26Å; W471-H474 PolarHBondContact O-N 3.29Å; H474-I477 PolarHBondContact O-N 3.01Å; H474-A478 WeakPolarHBondContact O-CB 3.42Å; H474-A478 PolarHBondContact O-N 3.04Å
475	V	95.3	Very high	95	Very high	58 Å²	58	42.5 Å²	42.5	35%	0.352	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-44.6	175.3	171.6	0	0	0	0	111	I398 W471 F472 I477 A478 F479	I398-V475 HydrophobicContact CD1-CG2 4.24Å; W471-V475 HydrophobicContact CD2-CG2 4.18Å; W471-V475 HydrophobicContact CE3-CG2 4.25Å; W471-V475 HydrophobicContact CH2-CG2 4Å; W471-V475 HydrophobicContact CZ2-CG2 3.92Å; W471-V475 HydrophobicContact CZ3-CG2 4.16Å; W471-V475 WeakPolarHBondContact O-CG2 3.43Å; W471-V475 PolarHBondContact O-N 3.46Å; F472-V475 PolarHBondContact O-N 3.29Å; V475-I477 PolarHBondContact O-N 2.74Å; V475-A478 PolarHBondContact O-N 3.31Å; V475-F479 PolarHBondContact O-N 2.83Å
476	L	96.1	Very high	95.4	Very high	86 Å²	86	43.2 Å²	43.2	45%	0.45	21%	0.212	S	C	.	.	H	α-helix	trans	-59.8	-45.8	175.9	178.5	66.2	0	0	0	111.5	F472 W473 F479 I480	F472-L476 WeakPolarHBondContact O-CB 3.38Å; F472-L476 PolarHBondContact O-N 2.82Å; W473-L476 PolarHBondContact O-N 3.37Å; L476-F479 WeakPolarHBondContact O-CB 3.46Å; L476-F479 PolarHBondContact O-N 3.2Å; L476-I480 HydrophobicContact CD1-CD1 4.18Å; L476-I480 HydrophobicContact CG-CD1 4.03Å; L476-I480 WeakPolarHBondContact O-CG1 3.47Å; L476-I480 PolarHBondContact O-N 3.16Å
477	I	97.2	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-40.9	177.8	-71.5	177.5	0	0	0	111.5	L30 N31 T35 V394 W473 H474 V475 F479 I480 N481	L30-I477 HydrophobicContact CD2-CG1 3.83Å; L30-I477 HydrophobicContact CG-CD1 4.24Å; L30-I477 HydrophobicContact CG-CG1 4.05Å; N31-I477 VanDerWaalsContact OD1-CG2 3.31Å; N31-I477 WeakPolarHBondContact OD1-CG2 2.9Å; T35-I477 HydrophobicContact CG2-CD1 4.26Å; T35-I477 WeakPolarHBondContact OG1-CD1 3.23Å; V394-I477 HydrophobicContact CB-CG2 4.36Å; V394-I477 HydrophobicContact CG2-CB 4.19Å; V394-I477 HydrophobicContact CG2-CG2 3.92Å; W473-I477 HydrophobicContact CD2-CD1 4.38Å; W473-I477 HydrophobicContact CG-CD1 4.32Å; W473-I477 HydrophobicContact CZ2-CD1 4.18Å; W473-I477 WeakPolarHBondContact O-CG1 3.44Å; W473-I477 PolarHBondContact O-N 3.32Å; H474-I477 PolarHBondContact O-N 3.01Å; V475-I477 PolarHBondContact O-N 2.74Å; I477-F479 VanDerWaalsContact C-N 3.26Å; I477-F479 PolarHBondContact O-N 3.21Å; I477-I480 PolarHBondContact O-N 3.33Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.32Å; I477-N481 VanDerWaalsContact O-CB 3.3Å; I477-N481 WeakPolarHBondContact O-CB 3.29Å; I477-N481 VanDerWaalsContact O-CG 3.26Å; I477-N481 PolarHBondContact O-N 3.32Å
478	A	96.7	Very high	95.8	Very high	17 Å²	17	46.6 Å²	46.6	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-43	176.2	0	0	0	0	0	111.3	V394 H474 V475 L482	V394-A478 HydrophobicContact CG1-CB 3.78Å; V394-A478 HydrophobicContact CG2-CB 4.03Å; H474-A478 WeakPolarHBondContact O-CB 3.42Å; H474-A478 PolarHBondContact O-N 3.04Å; V475-A478 PolarHBondContact O-N 3.31Å; A478-L482 VanDerWaalsContact O-CB 3.3Å; A478-L482 WeakPolarHBondContact O-CB 3.3Å; A478-L482 PolarHBondContact O-N 2.72Å
479	F	97.1	Very high	96	Very high	127 Å²	127	49.1 Å²	49.1	56%	0.557	24%	0.242	S	C	*	.	H	α-helix	trans	-63.9	-47.4	175.8	-177.4	-107.9	0	0	0	112.7	V475 L476 I477 N481 L482 I483	V475-F479 PolarHBondContact O-N 2.83Å; L476-F479 WeakPolarHBondContact O-CB 3.46Å; L476-F479 PolarHBondContact O-N 3.2Å; I477-F479 VanDerWaalsContact C-N 3.26Å; I477-F479 PolarHBondContact O-N 3.21Å; F479-N481 PolarHBondContact O-N 3.33Å; F479-L482 PolarHBondContact O-N 3.05Å; F479-I483 HydrophobicContact CD1-CD1 3.86Å; F479-I483 HydrophobicContact CE1-CD1 3.35Å; F479-I483 HydrophobicContact CE2-CD1 4.1Å; F479-I483 HydrophobicContact CG-CD1 4.44Å; F479-I483 HydrophobicContact CZ-CD1 3.49Å; F479-I483 VanDerWaalsContact CZ-CD1 3.49Å; F479-I483 HydrophobicContact CZ-CG1 4.41Å; F479-I483 WeakPolarHBondContact O-CG1 3.28Å; F479-I483 PolarHBondContact O-N 3.34Å
480	I	97.7	Very high	96.1	Very high	47 Å²	47	50.5 Å²	50.5	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-42.3	178.2	-68	168.1	0	0	0	111.2	A27 L30 L476 I477 I483 S484	A27-I480 HydrophobicContact CB-CG2 3.94Å; L30-I480 HydrophobicContact CD2-CB 4.45Å; L30-I480 HydrophobicContact CD2-CD1 3.56Å; L30-I480 HydrophobicContact CD2-CG2 4.21Å; L476-I480 HydrophobicContact CD1-CD1 4.18Å; L476-I480 HydrophobicContact CG-CD1 4.03Å; L476-I480 WeakPolarHBondContact O-CG1 3.47Å; L476-I480 PolarHBondContact O-N 3.16Å; I477-I480 PolarHBondContact O-N 3.33Å; I480-I483 PolarHBondContact O-N 3.24Å; I480-S484 WeakPolarHBondContact O-CB 3.36Å; I480-S484 PolarHBondContact O-N 3.26Å
481	N	97.3	Very high	96	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.032	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-42.1	176.7	-76.2	-14	0	0	0	111.8	N31 L391 I477 F479 S484 F485	N31-N481 PolarHBondContact ND2-ND2 3.31Å; N31-N481 PolarHBondContact ND2-OD1 3.22Å; N31-N481 PolarHBondContact OD1-ND2 2.87Å; L391-N481 HydrophobicContact CD1-CB 4.3Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.32Å; I477-N481 VanDerWaalsContact O-CB 3.3Å; I477-N481 WeakPolarHBondContact O-CB 3.29Å; I477-N481 VanDerWaalsContact O-CG 3.26Å; I477-N481 PolarHBondContact O-N 3.32Å; F479-N481 PolarHBondContact O-N 3.33Å; N481-S484 PolarHBondContact O-N 2.97Å; N481-F485 VanDerWaalsContact O-CB 3.3Å; N481-F485 WeakPolarHBondContact O-CB 3.17Å; N481-F485 PolarHBondContact O-N 3.2Å
482	L	97.6	Very high	95.9	Very high	73 Å²	73	52.9 Å²	52.9	38%	0.382	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-47.1	176.9	-179.4	63.4	0	0	0	111	L391 A478 F479 F485 I486	L391-L482 HydrophobicContact CD1-CB 4.21Å; L391-L482 HydrophobicContact CD2-CD1 4.11Å; A478-L482 VanDerWaalsContact O-CB 3.3Å; A478-L482 WeakPolarHBondContact O-CB 3.3Å; A478-L482 PolarHBondContact O-N 2.72Å; F479-L482 PolarHBondContact O-N 3.05Å; L482-F485 PolarHBondContact O-N 3.08Å; L482-I486 HydrophobicContact CD1-CD1 3.95Å; L482-I486 HydrophobicContact CD1-CG1 4.37Å; L482-I486 HydrophobicContact CG-CD1 3.92Å; L482-I486 VanDerWaalsContact O-CG1 3.29Å; L482-I486 WeakPolarHBondContact O-CG1 3.31Å; L482-I486 PolarHBondContact O-N 3.42Å
483	I	97.5	Very high	95.7	Very high	73 Å²	73	54.5 Å²	54.5	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-48.8	175.6	-68.8	171.2	0	0	0	110.6	F479 I480 F485 I486 L487	F479-I483 HydrophobicContact CD1-CD1 3.86Å; F479-I483 HydrophobicContact CE1-CD1 3.35Å; F479-I483 HydrophobicContact CE2-CD1 4.1Å; F479-I483 HydrophobicContact CG-CD1 4.44Å; F479-I483 HydrophobicContact CZ-CD1 3.49Å; F479-I483 VanDerWaalsContact CZ-CD1 3.49Å; F479-I483 HydrophobicContact CZ-CG1 4.41Å; F479-I483 WeakPolarHBondContact O-CG1 3.28Å; F479-I483 PolarHBondContact O-N 3.34Å; I480-I483 PolarHBondContact O-N 3.24Å; I483-F485 VanDerWaalsContact C-N 3.3Å; I483-F485 PolarHBondContact O-N 3.35Å; I483-I486 PolarHBondContact O-N 3Å; I483-L487 HydrophobicContact CG2-CD1 3.73Å; I483-L487 HydrophobicContact CG2-CG 4.13Å; I483-L487 WeakPolarHBondContact O-CB 3.29Å; I483-L487 VanDerWaalsContact O-CG 3.26Å; I483-L487 WeakPolarHBondContact O-CG 3.46Å; I483-L487 PolarHBondContact O-N 3.33Å
484	S	96	Very high	95.5	Very high	12 Å²	12	56.6 Å²	56.6	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-56.2	-46.6	178.7	-176.7	0	0	0	0	111.2	K387 I480 N481 L487 W488	K387-S484 PolarHBondContact NZ-OG 3.13Å; K387-S484 VanDerWaalsContact NZ-OG 3.08Å; I480-S484 WeakPolarHBondContact O-CB 3.36Å; I480-S484 PolarHBondContact O-N 3.26Å; N481-S484 PolarHBondContact O-N 2.97Å; S484-L487 PolarHBondContact O-N 3.15Å; S484-W488 PolarHBondContact O-N 2.64Å
485	F	96.9	Very high	95.2	Very high	39 Å²	39	59.3 Å²	59.3	17%	0.171	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-47.5	179.1	-175.8	-117.6	0	0	0	112.4	M384 K387 F388 L391 N481 L482 I483 L487 W488 I489	M384-F485 HydrophobicContact CE-CD2 3.86Å; M384-F485 HydrophobicContact CE-CE2 3.58Å; M384-F485 HydrophobicContact CE-CZ 4.4Å; K387-F485 HydrophobicContact CB-CD2 3.67Å; K387-F485 HydrophobicContact CB-CE2 4.29Å; F388-F485 HydrophobicContact CB-CE2 3.99Å; F388-F485 HydrophobicContact CB-CZ 4.21Å; F388-F485 HydrophobicContact CD2-CZ 4.36Å; L391-F485 HydrophobicContact CD2-CD1 4.36Å; N481-F485 VanDerWaalsContact O-CB 3.3Å; N481-F485 WeakPolarHBondContact O-CB 3.17Å; N481-F485 PolarHBondContact O-N 3.2Å; L482-F485 PolarHBondContact O-N 3.08Å; I483-F485 VanDerWaalsContact C-N 3.3Å; I483-F485 PolarHBondContact O-N 3.35Å; F485-L487 VanDerWaalsContact C-N 3.35Å; F485-L487 PolarHBondContact O-N 2.69Å; F485-W488 PolarHBondContact O-N 2.8Å; F485-I489 HydrophobicContact CD1-CD1 3.82Å; F485-I489 HydrophobicContact CE1-CD1 3.45Å; F485-I489 VanDerWaalsContact CE1-CD1 3.45Å; F485-I489 HydrophobicContact CE1-CG1 4.5Å; F485-I489 HydrophobicContact CE2-CD1 4.27Å; F485-I489 HydrophobicContact CG-CD1 4.38Å; F485-I489 HydrophobicContact CZ-CD1 3.71Å; F485-I489 HydrophobicContact CZ-CG1 4.44Å; F485-I489 WeakPolarHBondContact O-CG1 3.44Å; F485-I489 PolarHBondContact O-N 2.99Å
486	I	96.9	Very high	94.9	Very high	95 Å²	95	63.6 Å²	63.6	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-42.9	177.8	-68	168.1	0	0	0	111	L482 I483 W488 I489 Y490	L482-I486 HydrophobicContact CD1-CD1 3.95Å; L482-I486 HydrophobicContact CD1-CG1 4.37Å; L482-I486 HydrophobicContact CG-CD1 3.92Å; L482-I486 VanDerWaalsContact O-CG1 3.29Å; L482-I486 WeakPolarHBondContact O-CG1 3.31Å; L482-I486 PolarHBondContact O-N 3.42Å; I483-I486 PolarHBondContact O-N 3Å; I486-W488 VanDerWaalsContact C-N 3.33Å; I486-W488 PolarHBondContact O-N 2.8Å; I486-I489 PolarHBondContact O-N 3.08Å; I486-Y490 WeakPolarHBondContact O-CB 3.43Å; I486-Y490 PolarHBondContact O-N 3.44Å
487	L	95.2	Very high	94.6	Very high	81 Å²	81	60.3 Å²	60.3	42%	0.424	28%	0.281	S	S	.	.	H	α-helix	trans	-62.4	-39.6	177.6	-71.4	177	0	0	0	111.8	I483 S484 F485 Y490 R491	I483-L487 HydrophobicContact CG2-CD1 3.73Å; I483-L487 HydrophobicContact CG2-CG 4.13Å; I483-L487 WeakPolarHBondContact O-CB 3.29Å; I483-L487 VanDerWaalsContact O-CG 3.26Å; I483-L487 WeakPolarHBondContact O-CG 3.46Å; I483-L487 PolarHBondContact O-N 3.33Å; S484-L487 PolarHBondContact O-N 3.15Å; F485-L487 VanDerWaalsContact C-N 3.35Å; F485-L487 PolarHBondContact O-N 2.69Å; L487-Y490 PolarHBondContact O-N 3.07Å; L487-R491 WeakPolarHBondContact O-CB 3.19Å; L487-R491 VanDerWaalsContact O-CG 3.31Å; L487-R491 WeakPolarHBondContact O-CG 3.39Å; L487-R491 PolarHBondContact O-N 2.95Å
488	W	95.2	Very high	94.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.8	-41.1	174.4	-84.2	107.5	0	0	0	113.3	D25 Y383 M384 S484 F485 I486 Y490 R491 L492 F552 L556	D25-W488 PolarHBondContact OD2-NE1 3.13Å; Y383-W488 HydrophobicContact CD1-CD2 4.43Å; Y383-W488 AromaticContact CE1-CD2 3.75Å; Y383-W488 HydrophobicContact CE1-CD2 3.75Å; Y383-W488 AromaticContact CE1-CE2 3.42Å; Y383-W488 VanDerWaalsContact CE1-CE2 3.42Å; Y383-W488 HydrophobicContact CE1-CE3 4.29Å; Y383-W488 HydrophobicContact CE1-CG 4.15Å; Y383-W488 HydrophobicContact CE1-CH2 4.23Å; Y383-W488 AromaticContact CE1-CZ2 3.69Å; Y383-W488 HydrophobicContact CE1-CZ2 3.69Å; Y383-W488 AromaticContact CE1-NE1 3.67Å; Y383-W488 AromaticContact CZ-CE2 3.99Å; Y383-W488 AromaticContact CZ-CZ2 3.96Å; M384-W488 HydrophobicContact CE-CB 4.22Å; M384-W488 HydrophobicContact SD-CB 3.85Å; S484-W488 PolarHBondContact O-N 2.64Å; F485-W488 PolarHBondContact O-N 2.8Å; I486-W488 VanDerWaalsContact C-N 3.33Å; I486-W488 PolarHBondContact O-N 2.8Å; W488-Y490 VanDerWaalsContact C-N 3.29Å; W488-Y490 PolarHBondContact O-N 3.43Å; W488-R491 VanDerWaalsContact CD2-NH2 3.29Å; W488-R491 PolarHBondContact O-N 3.04Å; W488-L492 HydrophobicContact CD2-CD1 4.48Å; W488-L492 HydrophobicContact CE3-CD1 3.55Å; W488-L492 HydrophobicContact CE3-CD2 4.44Å; W488-L492 HydrophobicContact CE3-CG 3.87Å; W488-L492 HydrophobicContact CZ3-CD1 4.17Å; W488-L492 HydrophobicContact CZ3-CD2 4.41Å; W488-L492 HydrophobicContact CZ3-CG 4.33Å; W488-L492 WeakPolarHBondContact O-CB 3.48Å; W488-L492 PolarHBondContact O-N 3.36Å; W488-F552 HydrophobicContact CE3-CD2 4.33Å; W488-F552 HydrophobicContact CE3-CE2 4.32Å; W488-F552 AromaticContact CH2-CD2 3.98Å; W488-F552 HydrophobicContact CH2-CD2 3.98Å; W488-F552 AromaticContact CH2-CE2 3.65Å; W488-F552 HydrophobicContact CH2-CE2 3.65Å; W488-F552 HydrophobicContact CZ2-CE2 4.38Å; W488-F552 AromaticContact CZ3-CD2 3.56Å; W488-F552 HydrophobicContact CZ3-CD2 3.56Å; W488-F552 AromaticContact CZ3-CE2 3.63Å; W488-F552 HydrophobicContact CZ3-CE2 3.63Å; W488-L556 HydrophobicContact CH2-CD2 4.15Å; W488-L556 HydrophobicContact CZ2-CD2 4.31Å
489	I	94.7	Very high	94.1	Very high	66 Å²	66	61.6 Å²	61.6	34%	0.338	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-48.5	173.5	-71.7	173.7	0	0	0	109.8	M384 F485 I486 F493	M384-I489 HydrophobicContact CE-CD1 4.43Å; M384-I489 HydrophobicContact CE-CG1 3.5Å; M384-I489 VanDerWaalsContact CE-CG1 3.5Å; F485-I489 HydrophobicContact CD1-CD1 3.82Å; F485-I489 HydrophobicContact CE1-CD1 3.45Å; F485-I489 VanDerWaalsContact CE1-CD1 3.45Å; F485-I489 HydrophobicContact CE1-CG1 4.5Å; F485-I489 HydrophobicContact CE2-CD1 4.27Å; F485-I489 HydrophobicContact CG-CD1 4.38Å; F485-I489 HydrophobicContact CZ-CD1 3.71Å; F485-I489 HydrophobicContact CZ-CG1 4.44Å; F485-I489 WeakPolarHBondContact O-CG1 3.44Å; F485-I489 PolarHBondContact O-N 2.99Å; I486-I489 PolarHBondContact O-N 3.08Å; I489-F493 HydrophobicContact CB-CD2 4.4Å; I489-F493 HydrophobicContact CG1-CD2 4.49Å; I489-F493 HydrophobicContact CG2-CD2 4.17Å; I489-F493 WeakPolarHBondContact O-CB 3.42Å; I489-F493 PolarHBondContact O-N 3.35Å
490	Y	94.9	Very high	93.7	Very high	122 Å²	122	62.1 Å²	62.1	48%	0.478	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-41.3	179.4	176.9	-101.8	0	0	0	112.8	I486 L487 W488 Y494 S497	I486-Y490 WeakPolarHBondContact O-CB 3.43Å; I486-Y490 PolarHBondContact O-N 3.44Å; L487-Y490 PolarHBondContact O-N 3.07Å; W488-Y490 VanDerWaalsContact C-N 3.29Å; W488-Y490 PolarHBondContact O-N 3.43Å; Y490-Y494 HydrophobicContact CD2-CD1 4.12Å; Y490-Y494 HydrophobicContact CD2-CG 4.31Å; Y490-Y494 AromaticContact CE2-CD1 3.48Å; Y490-Y494 HydrophobicContact CE2-CD1 3.48Å; Y490-Y494 VanDerWaalsContact CE2-CD1 3.48Å; Y490-Y494 HydrophobicContact CE2-CE1 4.01Å; Y490-Y494 HydrophobicContact CE2-CG 4.11Å; Y490-Y494 VanDerWaalsContact O-CB 3.23Å; Y490-Y494 WeakPolarHBondContact O-CB 3.2Å; Y490-S497 WeakPolarHBondContact CE1-OG 3.29Å; Y490-S497 WeakPolarHBondContact O-CB 3.4Å
491	R	93.2	Very high	93.4	Very high	63 Å²	63	61.5 Å²	61.5	24%	0.238	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-42.8	178.7	-75.8	-169.8	-64.5	-126.4	6.8	112.9	L487 W488 K498 Y555	L487-R491 WeakPolarHBondContact O-CB 3.19Å; L487-R491 VanDerWaalsContact O-CG 3.31Å; L487-R491 WeakPolarHBondContact O-CG 3.39Å; L487-R491 PolarHBondContact O-N 2.95Å; W488-R491 VanDerWaalsContact CD2-NH2 3.29Å; W488-R491 PolarHBondContact O-N 3.04Å; R491-K498 WeakPolarHBondContact O-CG 3.41Å; R491-Y555 PolarHBondContact O-OH 3.4Å
492	L	91.6	Very high	93.2	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-90.4	-41.3	-170.5	-67.9	166.8	0	0	0	113.7	V380 M384 W488 K498 F552 Y555	V380-L492 HydrophobicContact CG1-CD1 3.81Å; V380-L492 HydrophobicContact CG1-CD2 4.43Å; M384-L492 HydrophobicContact CG-CD1 4.27Å; M384-L492 HydrophobicContact SD-CD1 3.7Å; W488-L492 HydrophobicContact CD2-CD1 4.48Å; W488-L492 HydrophobicContact CE3-CD1 3.55Å; W488-L492 HydrophobicContact CE3-CD2 4.44Å; W488-L492 HydrophobicContact CE3-CG 3.87Å; W488-L492 HydrophobicContact CZ3-CD1 4.17Å; W488-L492 HydrophobicContact CZ3-CD2 4.41Å; W488-L492 HydrophobicContact CZ3-CG 4.33Å; W488-L492 WeakPolarHBondContact O-CB 3.48Å; W488-L492 PolarHBondContact O-N 3.36Å; L492-K498 VanDerWaalsContact O-CD 3.27Å; L492-K498 WeakPolarHBondContact O-CD 3.43Å; L492-K498 WeakPolarHBondContact O-CE 3.48Å; L492-F552 HydrophobicContact CD1-CD2 4.32Å; L492-F552 HydrophobicContact CD2-CB 4.04Å; L492-F552 HydrophobicContact CD2-CD2 4.21Å; L492-Y555 HydrophobicContact CD2-CD2 3.96Å; L492-Y555 HydrophobicContact CD2-CE2 4.23Å
493	F	90.2	Very high	92.8	Very high	116 Å²	116	58.6 Å²	58.6	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-94.4	-27.1	-172.7	-63.6	-70.3	0	0	0	113.3	M384 I489 Q495	M384-F493 HydrophobicContact CE-CE2 4.26Å; M384-F493 HydrophobicContact CG-CE2 4.12Å; M384-F493 HydrophobicContact CG-CZ 4.3Å; M384-F493 HydrophobicContact SD-CE2 4.44Å; I489-F493 HydrophobicContact CB-CD2 4.4Å; I489-F493 HydrophobicContact CG1-CD2 4.49Å; I489-F493 HydrophobicContact CG2-CD2 4.17Å; I489-F493 WeakPolarHBondContact O-CB 3.42Å; I489-F493 PolarHBondContact O-N 3.35Å; F493-Q495 PolarHBondContact O-N 3.11Å
494	Y	91.7	Very high	92.3	Very high	105 Å²	105	58.6 Å²	58.6	41%	0.412	27%	0.269	S	S	.	.			trans	-79.9	106.5	-178.8	-164	-122.6	0	0	0	111.7	Y490 K496 S497 K498	Y490-Y494 HydrophobicContact CD2-CD1 4.12Å; Y490-Y494 HydrophobicContact CD2-CG 4.31Å; Y490-Y494 AromaticContact CE2-CD1 3.48Å; Y490-Y494 HydrophobicContact CE2-CD1 3.48Å; Y490-Y494 VanDerWaalsContact CE2-CD1 3.48Å; Y490-Y494 HydrophobicContact CE2-CE1 4.01Å; Y490-Y494 HydrophobicContact CE2-CG 4.11Å; Y490-Y494 VanDerWaalsContact O-CB 3.23Å; Y490-Y494 WeakPolarHBondContact O-CB 3.2Å; Y494-K496 VanDerWaalsContact C-N 3.27Å; Y494-K496 HydrophobicContact CD1-CB 4.01Å; Y494-K496 HydrophobicContact CE1-CB 3.65Å; Y494-K496 HydrophobicContact CE1-CD 4.13Å; Y494-K496 HydrophobicContact CE1-CG 4.16Å; Y494-K496 PolarHBondContact O-N 2.95Å; Y494-K496 VanDerWaalsContact O-N 3.16Å; Y494-S497 WeakPolarHBondContact O-CA 3.04Å; Y494-S497 VanDerWaalsContact O-CB 3.26Å; Y494-S497 WeakPolarHBondContact O-CB 3.15Å; Y494-S497 PolarHBondContact O-N 3.04Å; Y494-K498 PolarHBondContact O-N 3.36Å
495	Q	89.2	Confident	92	Very high	57 Å²	57	58.5 Å²	58.5	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-54.1	-40.3	-174.4	-163.6	68.2	16.6	0	0	113.4	F493 S497 K498 I499 N539 D543	F493-Q495 PolarHBondContact O-N 3.11Å; Q495-S497 VanDerWaalsContact C-N 3.26Å; Q495-S497 PolarHBondContact O-N 3.32Å; Q495-K498 PolarHBondContact O-N 3.3Å; Q495-I499 HydrophobicContact CG-CD1 3.88Å; Q495-I499 HydrophobicContact CG-CG1 4.37Å; Q495-I499 WeakPolarHBondContact O-CG1 3.23Å; Q495-I499 PolarHBondContact O-N 3.24Å; Q495-N539 PolarHBondContact NE2-OD1 3.08Å; Q495-D543 PolarHBondContact NE2-OD1 3.46Å; Q495-D543 VanDerWaalsContact NE2-OD1 3.16Å; Q495-D543 PolarHBondContact NE2-OD2 3.45Å
496	K	89.3	Confident	91.6	Very high	148 Å²	148	56.7 Å²	56.7	64%	0.643	26%	0.259	S	S	*	.	H	α-helix	trans	-63.5	-34.1	179	-59.8	-174.1	-173.5	169.1	0	111.9	Y494 K500	Y494-K496 VanDerWaalsContact C-N 3.27Å; Y494-K496 HydrophobicContact CD1-CB 4.01Å; Y494-K496 HydrophobicContact CE1-CB 3.65Å; Y494-K496 HydrophobicContact CE1-CD 4.13Å; Y494-K496 HydrophobicContact CE1-CG 4.16Å; Y494-K496 PolarHBondContact O-N 2.95Å; Y494-K496 VanDerWaalsContact O-N 3.16Å; K496-K500 WeakPolarHBondContact O-CB 3.22Å; K496-K500 PolarHBondContact O-N 3.19Å
497	S	90.4	Very high	91.1	Very high	16 Å²	16	56.6 Å²	56.6	11%	0.112	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-50	176.4	-168.4	0	0	0	0	110.6	Y490 Y494 Q495 I499 K500 F501	Y490-S497 WeakPolarHBondContact CE1-OG 3.29Å; Y490-S497 WeakPolarHBondContact O-CB 3.4Å; Y494-S497 WeakPolarHBondContact O-CA 3.04Å; Y494-S497 VanDerWaalsContact O-CB 3.26Å; Y494-S497 WeakPolarHBondContact O-CB 3.15Å; Y494-S497 PolarHBondContact O-N 3.04Å; Q495-S497 VanDerWaalsContact C-N 3.26Å; Q495-S497 PolarHBondContact O-N 3.32Å; S497-I499 PolarHBondContact O-N 2.93Å; S497-K500 PolarHBondContact O-N 3.48Å; S497-F501 VanDerWaalsContact O-CB 3.3Å; S497-F501 WeakPolarHBondContact O-CB 3.29Å; S497-F501 PolarHBondContact O-N 3.38Å
498	K	92.2	Very high	90.5	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.048	26%	0.263	C	S	.	.	H	α-helix	trans	-56.3	-49.8	176.2	-64.7	-170.2	-76.6	173.3	0	112.6	R491 L492 Y494 Q495 F501 I502 I542 D543 L548 L551	R491-K498 WeakPolarHBondContact O-CG 3.41Å; L492-K498 VanDerWaalsContact O-CD 3.27Å; L492-K498 WeakPolarHBondContact O-CD 3.43Å; L492-K498 WeakPolarHBondContact O-CE 3.48Å; Y494-K498 PolarHBondContact O-N 3.36Å; Q495-K498 PolarHBondContact O-N 3.3Å; K498-F501 PolarHBondContact O-N 3.38Å; K498-I502 PolarHBondContact O-N 3.16Å; K498-I502 VanDerWaalsContact O-N 3.12Å; K498-I542 HydrophobicContact CB-CD1 4.38Å; K498-I542 HydrophobicContact CD-CG2 4.39Å; K498-D543 IonicContact NZ-OD1 3.91Å; K498-L548 HydrophobicContact CD-CD2 4.39Å; K498-L551 HydrophobicContact CB-CD2 4.14Å; K498-L551 HydrophobicContact CD-CD2 3.37Å; K498-L551 HydrophobicContact CG-CD2 3.7Å
499	I	90.8	Very high	90	Very high	33 Å²	33	61.1 Å²	61.1	17%	0.169	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-47.2	179.4	-65.1	169.6	0	0	0	110.1	Q495 S497 F501 I502 T503 I538 I542	Q495-I499 HydrophobicContact CG-CD1 3.88Å; Q495-I499 HydrophobicContact CG-CG1 4.37Å; Q495-I499 WeakPolarHBondContact O-CG1 3.23Å; Q495-I499 PolarHBondContact O-N 3.24Å; S497-I499 PolarHBondContact O-N 2.93Å; I499-F501 VanDerWaalsContact C-N 3.32Å; I499-F501 PolarHBondContact O-N 3.45Å; I499-I502 PolarHBondContact O-N 3.42Å; I499-T503 WeakPolarHBondContact O-CB 3.44Å; I499-T503 PolarHBondContact O-N 2.96Å; I499-T503 PolarHBondContact O-OG1 3.35Å; I499-I538 HydrophobicContact CG2-CG2 4.36Å; I499-I542 HydrophobicContact CG1-CD1 4.08Å
500	K	90.1	Very high	89.3	Confident	138 Å²	138	64.2 Å²	64.2	60%	0.6	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-43.2	179.3	-177.4	177	178.3	179.8	0	111.4	K496 S497 T503 N504	K496-K500 WeakPolarHBondContact O-CB 3.22Å; K496-K500 PolarHBondContact O-N 3.19Å; S497-K500 PolarHBondContact O-N 3.48Å; K500-T503 PolarHBondContact O-N 3.29Å; K500-N504 WeakPolarHBondContact O-CB 3.43Å; K500-N504 PolarHBondContact O-N 2.69Å; K500-N504 PolarHBondContact O-OD1 3.18Å
501	F	91.4	Very high	88.5	Confident	35 Å²	35	61.1 Å²	61.1	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-56.6	178.3	177	-105.1	0	0	0	111.9	S497 K498 I499 T503 N504 Y505 L551 I554 Y555 T558	S497-F501 VanDerWaalsContact O-CB 3.3Å; S497-F501 WeakPolarHBondContact O-CB 3.29Å; S497-F501 PolarHBondContact O-N 3.38Å; K498-F501 PolarHBondContact O-N 3.38Å; I499-F501 VanDerWaalsContact C-N 3.32Å; I499-F501 PolarHBondContact O-N 3.45Å; F501-T503 VanDerWaalsContact C-N 3.35Å; F501-T503 PolarHBondContact O-N 3.28Å; F501-N504 PolarHBondContact O-N 2.86Å; F501-Y505 HydrophobicContact CD2-CE1 4.14Å; F501-Y505 HydrophobicContact CE1-CE2 4.07Å; F501-Y505 AromaticContact CE2-CE1 3.69Å; F501-Y505 HydrophobicContact CE2-CE1 3.69Å; F501-Y505 HydrophobicContact CE2-CE2 4.09Å; F501-Y505 AromaticContact CE2-CZ 3.37Å; F501-Y505 WeakPolarHBondContact CE2-OH 3.46Å; F501-Y505 HydrophobicContact CZ-CD2 4.44Å; F501-Y505 HydrophobicContact CZ-CE1 4.06Å; F501-Y505 AromaticContact CZ-CE2 3.58Å; F501-Y505 HydrophobicContact CZ-CE2 3.58Å; F501-Y505 AromaticContact CZ-CZ 3.34Å; F501-Y505 WeakPolarHBondContact CZ-OH 3.33Å; F501-Y505 PolarHBondContact O-N 2.74Å; F501-L551 HydrophobicContact CD1-CD1 4.45Å; F501-I554 HydrophobicContact CE1-CG2 3.99Å; F501-I554 HydrophobicContact CZ-CG2 4.3Å; F501-Y555 HydrophobicContact CB-CE1 4.35Å; F501-Y555 HydrophobicContact CD1-CD1 4.32Å; F501-Y555 AromaticContact CD1-CE1 3.49Å; F501-Y555 HydrophobicContact CD1-CE1 3.49Å; F501-Y555 VanDerWaalsContact CD1-CE1 3.49Å; F501-Y555 AromaticContact CD1-CZ 3.63Å; F501-Y555 HydrophobicContact CD2-CD1 4.43Å; F501-Y555 AromaticContact CD2-CE1 3.63Å; F501-Y555 HydrophobicContact CD2-CE1 3.63Å; F501-Y555 AromaticContact CE1-CD1 3.87Å; F501-Y555 HydrophobicContact CE1-CD1 3.87Å; F501-Y555 AromaticContact CE1-CE1 3.5Å; F501-Y555 HydrophobicContact CE1-CE1 3.5Å; F501-Y555 VanDerWaalsContact CE1-CE1 3.5Å; F501-Y555 AromaticContact CE1-CZ 3.94Å; F501-Y555 AromaticContact CE2-CD1 3.97Å; F501-Y555 HydrophobicContact CE2-CD1 3.97Å; F501-Y555 AromaticContact CE2-CE1 3.62Å; F501-Y555 HydrophobicContact CE2-CE1 3.62Å; F501-Y555 AromaticContact CG-CE1 3.55Å; F501-Y555 HydrophobicContact CG-CE1 3.55Å; F501-Y555 AromaticContact CG-CZ 3.88Å; F501-Y555 AromaticContact CZ-CD1 3.67Å; F501-Y555 HydrophobicContact CZ-CD1 3.67Å; F501-Y555 AromaticContact CZ-CE1 3.55Å; F501-Y555 HydrophobicContact CZ-CE1 3.55Å; F501-T558 HydrophobicContact CE2-CG2 4.4Å
502	I	91.7	Very high	87.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-38.7	179.3	-61.8	-62.4	0	0	0	111.6	K498 I499 N504 Y505 L506 I538 F541 I542 L546 L551 T570	K498-I502 PolarHBondContact O-N 3.16Å; K498-I502 VanDerWaalsContact O-N 3.12Å; I499-I502 PolarHBondContact O-N 3.42Å; I502-N504 VanDerWaalsContact C-N 3.31Å; I502-N504 PolarHBondContact O-N 3.05Å; I502-Y505 PolarHBondContact O-N 3.35Å; I502-L506 HydrophobicContact CG2-CD1 3.79Å; I502-L506 HydrophobicContact CG2-CG 4.23Å; I502-L506 WeakPolarHBondContact O-CG 3.34Å; I502-L506 PolarHBondContact O-N 2.97Å; I502-I538 HydrophobicContact CB-CG2 4.42Å; I502-I538 HydrophobicContact CG2-CG2 4.12Å; I502-F541 HydrophobicContact CG2-CD1 4.18Å; I502-F541 HydrophobicContact CG2-CE1 4.09Å; I502-I542 HydrophobicContact CB-CD1 4.17Å; I502-I542 HydrophobicContact CG1-CD1 3.93Å; I502-I542 HydrophobicContact CG1-CG1 4.04Å; I502-L546 HydrophobicContact CD1-CD2 4.46Å; I502-L551 HydrophobicContact CD1-CD1 3.84Å; I502-L551 HydrophobicContact CG1-CD1 4.17Å; I502-T570 HydrophobicContact CD1-CG2 3.87Å; I502-T570 HydrophobicContact CG2-CG2 4.36Å
503	T	89.4	Confident	86.8	Confident	18 Å²	18	63.6 Å²	63.6	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-41.4	177.6	-58.8	0	0	0	0	111.3	I499 K500 F501 Y505 L506 K507 I538	I499-T503 WeakPolarHBondContact O-CB 3.44Å; I499-T503 PolarHBondContact O-N 2.96Å; I499-T503 PolarHBondContact O-OG1 3.35Å; K500-T503 PolarHBondContact O-N 3.29Å; F501-T503 VanDerWaalsContact C-N 3.35Å; F501-T503 PolarHBondContact O-N 3.28Å; T503-Y505 VanDerWaalsContact C-N 3.34Å; T503-L506 PolarHBondContact O-N 2.99Å; T503-K507 HydrophobicContact CG2-CD 3.87Å; T503-K507 VanDerWaalsContact CG2-CE 3.44Å; T503-K507 HydrophobicContact CG2-CG 4.24Å; T503-K507 VanDerWaalsContact O-CB 3.31Å; T503-K507 WeakPolarHBondContact O-CB 3.35Å; T503-K507 VanDerWaalsContact O-CG 3.23Å; T503-K507 WeakPolarHBondContact O-CG 3.3Å; T503-K507 PolarHBondContact O-N 3.4Å; T503-I538 HydrophobicContact CG2-CD1 4.39Å; T503-I538 WeakPolarHBondContact OG1-CD1 3.2Å
504	N	88.2	Confident	85.5	Confident	72 Å²	72	61.4 Å²	61.4	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-42.4	177.9	-74.6	-1	0	0	0	111.2	K500 F501 I502 K507 I508	K500-N504 WeakPolarHBondContact O-CB 3.43Å; K500-N504 PolarHBondContact O-N 2.69Å; K500-N504 PolarHBondContact O-OD1 3.18Å; F501-N504 PolarHBondContact O-N 2.86Å; I502-N504 VanDerWaalsContact C-N 3.31Å; I502-N504 PolarHBondContact O-N 3.05Å; N504-K507 PolarHBondContact O-N 3.13Å; N504-I508 WeakPolarHBondContact O-CD1 3.01Å; N504-I508 VanDerWaalsContact O-CG1 3.24Å; N504-I508 WeakPolarHBondContact O-CG1 3.14Å; N504-I508 PolarHBondContact O-N 3.36Å; N504-I508 VanDerWaalsContact O-N 3.07Å
505	Y	89.2	Confident	84	Confident	10 Å²	10	61.8 Å²	61.8	4%	0.039	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-44.9	179.7	-76.2	20.7	0	0	0	111.7	F501 I502 T503 K507 I508 L509 T558 L563 A566 T570	F501-Y505 HydrophobicContact CD2-CE1 4.14Å; F501-Y505 HydrophobicContact CE1-CE2 4.07Å; F501-Y505 AromaticContact CE2-CE1 3.69Å; F501-Y505 HydrophobicContact CE2-CE1 3.69Å; F501-Y505 HydrophobicContact CE2-CE2 4.09Å; F501-Y505 AromaticContact CE2-CZ 3.37Å; F501-Y505 WeakPolarHBondContact CE2-OH 3.46Å; F501-Y505 HydrophobicContact CZ-CD2 4.44Å; F501-Y505 HydrophobicContact CZ-CE1 4.06Å; F501-Y505 AromaticContact CZ-CE2 3.58Å; F501-Y505 HydrophobicContact CZ-CE2 3.58Å; F501-Y505 AromaticContact CZ-CZ 3.34Å; F501-Y505 WeakPolarHBondContact CZ-OH 3.33Å; F501-Y505 PolarHBondContact O-N 2.74Å; I502-Y505 PolarHBondContact O-N 3.35Å; T503-Y505 VanDerWaalsContact C-N 3.34Å; Y505-K507 PolarHBondContact O-N 3.46Å; Y505-I508 PolarHBondContact O-N 2.92Å; Y505-L509 PolarHBondContact O-N 3.03Å; Y505-T558 WeakPolarHBondContact OH-CG2 3.44Å; Y505-T558 PolarHBondContact OH-OG1 3.24Å; Y505-L563 HydrophobicContact CD1-CD1 4.28Å; Y505-L563 HydrophobicContact CE1-CD1 3.29Å; Y505-L563 HydrophobicContact CE2-CD1 4.37Å; Y505-L563 WeakPolarHBondContact OH-CD1 3.36Å; Y505-A566 HydrophobicContact CE2-CB 3.96Å; Y505-T570 HydrophobicContact CD2-CG2 4.47Å
506	L	87.8	Confident	82.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-70.2	-31.1	179.7	-64.2	175.6	0	0	0	112.9	I502 T503 N510 L511 I512 W574	I502-L506 HydrophobicContact CG2-CD1 3.79Å; I502-L506 HydrophobicContact CG2-CG 4.23Å; I502-L506 WeakPolarHBondContact O-CG 3.34Å; I502-L506 PolarHBondContact O-N 2.97Å; T503-L506 PolarHBondContact O-N 2.99Å; L506-N510 PolarHBondContact O-N 3.16Å; L506-L511 HydrophobicContact CD2-CB 4.44Å; L506-L511 HydrophobicContact CD2-CD1 3.75Å; L506-L511 PolarHBondContact O-N 2.94Å; L506-I512 HydrophobicContact CB-CD1 3.54Å; L506-I512 HydrophobicContact CB-CG1 3.94Å; L506-I512 HydrophobicContact CD1-CD1 3.74Å; L506-I512 HydrophobicContact CD1-CG1 4.49Å; L506-I512 HydrophobicContact CG-CD1 4.3Å; L506-W574 HydrophobicContact CD1-CD2 3.76Å; L506-W574 HydrophobicContact CD1-CE3 3.66Å; L506-W574 HydrophobicContact CD1-CG 4.22Å; L506-W574 HydrophobicContact CD1-CH2 4.48Å; L506-W574 HydrophobicContact CD1-CZ3 4.03Å; L506-W574 HydrophobicContact CD2-CB 3.75Å; L506-W574 HydrophobicContact CD2-CD2 4.21Å; L506-W574 HydrophobicContact CD2-CG 3.77Å
507	K	86.3	Confident	80.7	Confident	94 Å²	94	64.7 Å²	64.7	41%	0.409	34%	0.343	S	S	.	.	H	α-helix	trans	-69	-43.6	174.7	-80.1	177.4	177.3	179.1	0	112.3	T503 N504 Y505 L509 N510	T503-K507 HydrophobicContact CG2-CD 3.87Å; T503-K507 VanDerWaalsContact CG2-CE 3.44Å; T503-K507 HydrophobicContact CG2-CG 4.24Å; T503-K507 VanDerWaalsContact O-CB 3.31Å; T503-K507 WeakPolarHBondContact O-CB 3.35Å; T503-K507 VanDerWaalsContact O-CG 3.23Å; T503-K507 WeakPolarHBondContact O-CG 3.3Å; T503-K507 PolarHBondContact O-N 3.4Å; N504-K507 PolarHBondContact O-N 3.13Å; Y505-K507 PolarHBondContact O-N 3.46Å; K507-L509 PolarHBondContact O-N 2.85Å; K507-N510 PolarHBondContact O-N 3.42Å
508	I	83.8	Confident	79	Confident	116 Å²	116	71 Å²	71	60%	0.595	38%	0.375	S	S	*	.	H	α-helix	trans	-60.1	-36.7	179.2	-70.4	164.1	0	0	0	110.5	N504 Y505 N510	N504-I508 WeakPolarHBondContact O-CD1 3.01Å; N504-I508 VanDerWaalsContact O-CG1 3.24Å; N504-I508 WeakPolarHBondContact O-CG1 3.14Å; N504-I508 PolarHBondContact O-N 3.36Å; N504-I508 VanDerWaalsContact O-N 3.07Å; Y505-I508 PolarHBondContact O-N 2.92Å; I508-N510 VanDerWaalsContact C-N 3.3Å; I508-N510 PolarHBondContact O-N 3.11Å
509	L	83.7	Confident	77.2	Confident	60 Å²	60	75 Å²	75	31%	0.314	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.1	178.4	-63.8	172.2	0	0	0	113.9	Y505 K507 L511 S567 A571	Y505-L509 PolarHBondContact O-N 3.03Å; K507-L509 PolarHBondContact O-N 2.85Å; L509-L511 HydrophobicContact CB-CD1 4.46Å; L509-L511 HydrophobicContact CB-CG 4.35Å; L509-L511 PolarHBondContact O-N 3.4Å; L509-S567 VanDerWaalsContact CD1-O 3.29Å; L509-S567 WeakPolarHBondContact CD1-O 3.38Å; L509-A571 HydrophobicContact CD1-CB 3.48Å; L509-A571 VanDerWaalsContact CD1-CB 3.48Å
510	N	80	Confident	75.5	Confident	131 Å²	131	79.3 Å²	79.3	70%	0.701	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	23.8	178.8	-65.8	-45.1	0	0	0	115.5	L506 K507 I508 I512	L506-N510 PolarHBondContact O-N 3.16Å; K507-N510 PolarHBondContact O-N 3.42Å; I508-N510 VanDerWaalsContact C-N 3.3Å; I508-N510 PolarHBondContact O-N 3.11Å; N510-I512 VanDerWaalsContact C-N 3.25Å; N510-I512 PolarHBondContact O-N 2.93Å
511	L	78.1	Confident	73.7	Confident	57 Å²	57	81 Å²	81	30%	0.298	44%	0.438	S	S	.	.	S	Bend	trans	-76.8	-16.4	176.2	-67	175	0	0	0	112.5	L506 L509 A571	L506-L511 HydrophobicContact CD2-CB 4.44Å; L506-L511 HydrophobicContact CD2-CD1 3.75Å; L506-L511 PolarHBondContact O-N 2.94Å; L509-L511 HydrophobicContact CB-CD1 4.46Å; L509-L511 HydrophobicContact CB-CG 4.35Å; L509-L511 PolarHBondContact O-N 3.4Å; L511-A571 HydrophobicContact CD1-CB 3.47Å; L511-A571 VanDerWaalsContact CD1-CB 3.47Å
512	I	76.8	Confident	72	Confident	12 Å²	12	86.3 Å²	86.3	6%	0.062	47%	0.469	C	S	.	.	S	Bend	trans	-120.7	136.5	176.4	-62	176.8	0	0	0	107.6	L506 N510 S514 I534 I538	L506-I512 HydrophobicContact CB-CD1 3.54Å; L506-I512 HydrophobicContact CB-CG1 3.94Å; L506-I512 HydrophobicContact CD1-CD1 3.74Å; L506-I512 HydrophobicContact CD1-CG1 4.49Å; L506-I512 HydrophobicContact CG-CD1 4.3Å; N510-I512 VanDerWaalsContact C-N 3.25Å; N510-I512 PolarHBondContact O-N 2.93Å; I512-S514 PolarHBondContact O-N 3.37Å; I512-I534 HydrophobicContact CD1-CG2 4.31Å; I512-I534 HydrophobicContact CG2-CD1 4.21Å; I512-I534 HydrophobicContact CG2-CG2 3.87Å; I512-I538 HydrophobicContact CD1-CD1 3.71Å; I512-I538 HydrophobicContact CD1-CG1 4.28Å
513	P	72.4	Confident	70.5	Confident	106 Å²	106	90.9 Å²	90.9	69%	0.688	49%	0.493	S	S	*	.			trans	-56.9	117.6	177.8	23.1	-33.6	0	0	0	110.3	I534	P513-I534 HydrophobicContact CG-CD1 4.12Å
514	S	62.7	Low	69.4	Low	70 Å²	70	94.3 Å²	94.3	49%	0.49	51%	0.514	S	S	.	.			trans	-66.9	137.3	169.8	-168.9	0	0	0	0	108.6	I512 N516	I512-S514 PolarHBondContact O-N 3.37Å; S514-N516 PolarHBondContact O-N 3.07Å
515	N	60.7	Low	68.5	Low	112 Å²	112	97.1 Å²	97.1	60%	0.599	53%	0.525	S	S	*	.			trans	-70.4	78.6	175.7	-166.5	21.1	0	0	0	108.1	N517	N515-N517 PolarHBondContact O-N 3.5Å; N515-N517 VanDerWaalsContact O-N 3.12Å; N515-N517 PolarHBondContact O-OD1 3.11Å
516	N	55	Low	67.5	Low	123 Å²	123	98.6 Å²	98.6	66%	0.658	54%	0.536	S	S	*	.			trans	-66.1	113.6	174.3	-81.4	-7.4	0	0	0	107.5	S514 N518	S514-N516 PolarHBondContact O-N 3.07Å; N516-N518 PolarHBondContact O-N 2.9Å
517	N	54.4	Low	66.7	Low	143 Å²	143	100.8 Å²	100.8	77%	0.765	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	12.5	-173.7	-69.1	-23.5	0	0	0	115.4	N515	N515-N517 PolarHBondContact O-N 3.5Å; N515-N517 VanDerWaalsContact O-N 3.12Å; N515-N517 PolarHBondContact O-OD1 3.11Å
518	N	53.9	Low	66.2	Low	148 Å²	148	100.3 Å²	100.3	79%	0.791	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	6.6	-172.3	-68.3	7.9	0	0	0	114.3	N516	N516-N518 PolarHBondContact O-N 2.9Å
519	T	55.8	Low	66.1	Low	96 Å²	96	99.2 Å²	99.2	59%	0.589	54%	0.543	S	S	*	.	S	Bend	trans	-102	83.1	172.5	46.2	0	0	0	0	110.9	H521	T519-H521 PolarHBondContact O-N 2.82Å
520	T	54.2	Low	65.9	Low	123 Å²	123	102.5 Å²	102.5	76%	0.755	55%	0.554	S	S	*	*			trans	8.3	98.4	145.2	27.5	0	0	0	0	115.9	N522	T520-N522 VanDerWaalsContact C-N 3.27Å; T520-N522 PolarHBondContact O-N 3.29Å
521	H	52.5	Low	65.9	Low	173 Å²	173	100.5 Å²	100.5	80%	0.801	54%	0.541	S	S	*	.	S	Bend	trans	23.4	-8.2	152.4	-90.7	-72.6	0	0	0	125.3	T519	T519-H521 PolarHBondContact O-N 2.82Å
522	N	56.3	Low	66.2	Low	147 Å²	147	102.3 Å²	102.3	79%	0.786	55%	0.55	S	S	*	.	S	Bend	trans	-102.9	0.7	-170.7	-69	-4.4	0	0	0	115.1	T520	T520-N522 VanDerWaalsContact C-N 3.27Å; T520-N522 PolarHBondContact O-N 3.29Å
523	N	59.7	Low	66.6	Low	96 Å²	96	108.6 Å²	108.6	51%	0.513	58%	0.576	S	S	.	*			trans	-123.6	28.7	-171.9	-82.7	-27.5	0	0	0	114.2	H525 S526 N527	N523-H525 VanDerWaalsContact C-N 3.27Å; N523-H525 PolarHBondContact O-N 3.26Å; N523-S526 VanDerWaalsContact CB-OG 3.32Å; N523-S526 WeakPolarHBondContact CB-OG 3.38Å; N523-S526 PolarHBondContact O-N 3.42Å; N523-S526 PolarHBondContact O-OG 2.84Å; N523-S526 VanDerWaalsContact O-OG 3.12Å; N523-N527 WeakPolarHBondContact O-CB 3.28Å; N523-N527 PolarHBondContact O-N 3.35Å
524	T	65.9	Low	67.2	Low	91 Å²	91	106.1 Å²	106.1	56%	0.558	56%	0.557	S	S	*	*	H	α-helix	trans	-54.3	-42.7	-179.2	55.7	0	0	0	0	112.3	N528	T524-N528 WeakPolarHBondContact O-CB 3.47Å; T524-N528 PolarHBondContact O-N 2.92Å; T524-N528 PolarHBondContact O-ND2 3.28Å; T524-N528 PolarHBondContact O-OD1 3.45Å
525	H	68.6	Low	68.4	Low	131 Å²	131	107.1 Å²	107.1	61%	0.606	55%	0.553	S	S	*	*	H	α-helix	trans	-70	-42.3	-178.8	-159.5	53.6	0	0	0	112.9	N523 N528 Q529	N523-H525 VanDerWaalsContact C-N 3.27Å; N523-H525 PolarHBondContact O-N 3.26Å; H525-N528 PolarHBondContact O-N 3.43Å; H525-Q529 PolarHBondContact NE2-NE2 3.02Å; H525-Q529 WeakPolarHBondContact O-CG 3.07Å; H525-Q529 PolarHBondContact O-N 3.24Å
526	S	68.9	Low	69.7	Low	40 Å²	40	106.1 Å²	106.1	28%	0.28	55%	0.547	S	S	.	.	H	α-helix	trans	-71	-34.8	179.4	64.7	0	0	0	0	112.1	N523 Q529 K530	N523-S526 VanDerWaalsContact CB-OG 3.32Å; N523-S526 WeakPolarHBondContact CB-OG 3.38Å; N523-S526 PolarHBondContact O-N 3.42Å; N523-S526 PolarHBondContact O-OG 2.84Å; N523-S526 VanDerWaalsContact O-OG 3.12Å; S526-Q529 PolarHBondContact O-N 3.03Å; S526-K530 WeakPolarHBondContact O-CG 3.36Å; S526-K530 PolarHBondContact O-N 3.14Å
527	N	70.6	Confident	71.3	Confident	48 Å²	48	103 Å²	103	26%	0.257	53%	0.528	S	S	.	.	H	α-helix	trans	-67.1	-43.6	172.8	-72.4	-13.2	0	0	0	111.6	N523 Q529 K530 E531	N523-N527 WeakPolarHBondContact O-CB 3.28Å; N523-N527 PolarHBondContact O-N 3.35Å; N527-Q529 VanDerWaalsContact C-N 3.34Å; N527-Q529 PolarHBondContact O-N 2.9Å; N527-K530 PolarHBondContact O-N 3.11Å; N527-E531 PolarHBondContact O-N 2.93Å
528	N	76.6	Confident	73	Confident	84 Å²	84	96.2 Å²	96.2	45%	0.449	49%	0.491	S	S	.	.	H	α-helix	trans	-60.3	-43.1	175.1	-73.1	-8.3	0	0	0	111.7	T524 H525 K530 E531 I532	T524-N528 WeakPolarHBondContact O-CB 3.47Å; T524-N528 PolarHBondContact O-N 2.92Å; T524-N528 PolarHBondContact O-ND2 3.28Å; T524-N528 PolarHBondContact O-OD1 3.45Å; H525-N528 PolarHBondContact O-N 3.43Å; N528-K530 PolarHBondContact O-N 3.42Å; N528-E531 PolarHBondContact O-N 3.19Å; N528-I532 WeakPolarHBondContact O-CD1 3.48Å; N528-I532 VanDerWaalsContact O-CG1 3.25Å; N528-I532 WeakPolarHBondContact O-CG1 3.21Å; N528-I532 PolarHBondContact O-N 2.61Å
529	Q	81.5	Confident	74.8	Confident	93 Å²	93	91.2 Å²	91.2	44%	0.435	47%	0.465	S	S	.	.	H	α-helix	trans	-63.4	-40.6	176	-74.7	-177.5	1.3	0	0	112.5	H525 S526 N527 I532 K533	H525-Q529 PolarHBondContact NE2-NE2 3.02Å; H525-Q529 WeakPolarHBondContact O-CG 3.07Å; H525-Q529 PolarHBondContact O-N 3.24Å; S526-Q529 PolarHBondContact O-N 3.03Å; N527-Q529 VanDerWaalsContact C-N 3.34Å; N527-Q529 PolarHBondContact O-N 2.9Å; Q529-I532 PolarHBondContact O-N 2.98Å; Q529-K533 WeakPolarHBondContact O-CG 3.44Å; Q529-K533 PolarHBondContact O-N 3.2Å
530	K	78.6	Confident	76.4	Confident	129 Å²	129	90.8 Å²	90.8	56%	0.561	46%	0.456	S	S	*	.	H	α-helix	trans	-61.7	-45.4	174.2	-74.8	173.1	-177.1	175.6	0	111.2	S526 N527 N528 I532 K533 I534	S526-K530 WeakPolarHBondContact O-CG 3.36Å; S526-K530 PolarHBondContact O-N 3.14Å; N527-K530 PolarHBondContact O-N 3.11Å; N528-K530 PolarHBondContact O-N 3.42Å; K530-I532 PolarHBondContact O-N 2.94Å; K530-K533 PolarHBondContact O-N 3.26Å; K530-I534 VanDerWaalsContact O-CG1 3.31Å; K530-I534 WeakPolarHBondContact O-CG1 3.47Å; K530-I534 PolarHBondContact O-N 3.3Å
531	E	80.6	Confident	78.2	Confident	88 Å²	88	85 Å²	85	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-62.9	-42.5	179.2	-167.5	-174.1	164.6	0	0	112.1	N527 N528 I534 K535	N527-E531 PolarHBondContact O-N 2.93Å; N528-E531 PolarHBondContact O-N 3.19Å; E531-I534 PolarHBondContact O-N 3.4Å; E531-K535 HydrophobicContact CG-CD 4.45Å; E531-K535 WeakPolarHBondContact O-CG 3.28Å; E531-K535 PolarHBondContact O-N 2.99Å; E531-K535 WeakPolarHBondContact OE1-CE 3.48Å; E531-K535 IonicContact OE1-NZ 2.65Å; E531-K535 PolarHBondContact OE1-NZ 3.31Å
532	I	84.2	Confident	80	Confident	95 Å²	95	76.8 Å²	76.8	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-61.9	-44.7	176	-67.6	164.2	0	0	0	110.6	N528 Q529 K530 I534 K535 N536	N528-I532 WeakPolarHBondContact O-CD1 3.48Å; N528-I532 VanDerWaalsContact O-CG1 3.25Å; N528-I532 WeakPolarHBondContact O-CG1 3.21Å; N528-I532 PolarHBondContact O-N 2.61Å; Q529-I532 PolarHBondContact O-N 2.98Å; K530-I532 PolarHBondContact O-N 2.94Å; I532-I534 VanDerWaalsContact C-N 3.34Å; I532-I534 PolarHBondContact O-N 3.19Å; I532-K535 PolarHBondContact O-N 3.2Å; I532-N536 WeakPolarHBondContact O-CB 3.35Å; I532-N536 VanDerWaalsContact O-CG 3.25Å; I532-N536 PolarHBondContact O-N 3.22Å
533	K	84.9	Confident	81.5	Confident	144 Å²	144	73 Å²	73	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-60.1	-42.7	176.4	-75.2	179.4	-177.9	-178.2	0	112	Q529 K530 N536 K537	Q529-K533 WeakPolarHBondContact O-CG 3.44Å; Q529-K533 PolarHBondContact O-N 3.2Å; K530-K533 PolarHBondContact O-N 3.26Å; K533-N536 PolarHBondContact O-N 2.87Å; K533-K537 PolarHBondContact O-N 3.38Å
534	I	86	Confident	82.7	Confident	54 Å²	54	76.8 Å²	76.8	28%	0.277	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-48.3	177	-67.4	168.1	0	0	0	110.5	I512 P513 K530 E531 I532 N536 K537 I538	I512-I534 HydrophobicContact CD1-CG2 4.31Å; I512-I534 HydrophobicContact CG2-CD1 4.21Å; I512-I534 HydrophobicContact CG2-CG2 3.87Å; P513-I534 HydrophobicContact CG-CD1 4.12Å; K530-I534 VanDerWaalsContact O-CG1 3.31Å; K530-I534 WeakPolarHBondContact O-CG1 3.47Å; K530-I534 PolarHBondContact O-N 3.3Å; E531-I534 PolarHBondContact O-N 3.4Å; I532-I534 VanDerWaalsContact C-N 3.34Å; I532-I534 PolarHBondContact O-N 3.19Å; I534-N536 VanDerWaalsContact C-N 3.28Å; I534-N536 PolarHBondContact O-N 3.48Å; I534-K537 WeakPolarHBondContact O-CB 3.15Å; I534-K537 PolarHBondContact O-N 3.48Å; I534-K537 VanDerWaalsContact O-N 3.1Å; I534-I538 HydrophobicContact CG2-CD1 3.89Å; I534-I538 HydrophobicContact CG2-CG1 4.41Å; I534-I538 WeakPolarHBondContact O-CG1 3.25Å; I534-I538 PolarHBondContact O-N 2.91Å
535	K	87.5	Confident	83.8	Confident	92 Å²	92	72.8 Å²	72.8	40%	0.4	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-41.8	177.1	-76.1	176.3	-177.6	165	0	111.8	E531 I532 I538 N539	E531-K535 HydrophobicContact CG-CD 4.45Å; E531-K535 WeakPolarHBondContact O-CG 3.28Å; E531-K535 PolarHBondContact O-N 2.99Å; E531-K535 WeakPolarHBondContact OE1-CE 3.48Å; E531-K535 IonicContact OE1-NZ 2.65Å; E531-K535 PolarHBondContact OE1-NZ 3.31Å; I532-K535 PolarHBondContact O-N 3.2Å; K535-I538 PolarHBondContact O-N 3.22Å; K535-N539 WeakPolarHBondContact O-CB 3.39Å; K535-N539 PolarHBondContact O-N 3.29Å
536	N	88.3	Confident	84.8	Confident	91 Å²	91	66.8 Å²	66.8	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-39.9	176.5	-69.7	-11.4	0	0	0	112	I532 K533 I534 N539 Q540	I532-N536 WeakPolarHBondContact O-CB 3.35Å; I532-N536 VanDerWaalsContact O-CG 3.25Å; I532-N536 PolarHBondContact O-N 3.22Å; K533-N536 PolarHBondContact O-N 2.87Å; I534-N536 VanDerWaalsContact C-N 3.28Å; I534-N536 PolarHBondContact O-N 3.48Å; N536-N539 WeakPolarHBondContact O-CB 3.34Å; N536-N539 PolarHBondContact O-N 3.3Å; N536-Q540 WeakPolarHBondContact O-CG 3.34Å; N536-Q540 PolarHBondContact O-N 3.35Å
537	K	88.2	Confident	85.7	Confident	58 Å²	58	66 Å²	66	25%	0.252	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-42.6	174.9	-168.4	-175.1	-177.6	-174.1	0	111.7	K533 I534 Q540 F541 W574 Y577 E578	K533-K537 PolarHBondContact O-N 3.38Å; I534-K537 WeakPolarHBondContact O-CB 3.15Å; I534-K537 PolarHBondContact O-N 3.48Å; I534-K537 VanDerWaalsContact O-N 3.1Å; K537-Q540 PolarHBondContact O-N 3.38Å; K537-F541 PolarHBondContact O-N 3Å; K537-W574 HydrophobicContact CD-CH2 4Å; K537-W574 HydrophobicContact CD-CZ2 4.04Å; K537-W574 HydrophobicContact CG-CH2 3.94Å; K537-W574 HydrophobicContact CG-CZ2 4.49Å; K537-Y577 HydrophobicContact CG-CE1 4.29Å; K537-E578 IonicContact NZ-OE1 2.66Å; K537-E578 PolarHBondContact NZ-OE1 3.19Å
538	I	90.3	Very high	86.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-42	175	-64.1	169.8	0	0	0	110.5	I499 I502 T503 I512 I534 K535 Q540 F541 I542 W574	I499-I538 HydrophobicContact CG2-CG2 4.36Å; I502-I538 HydrophobicContact CB-CG2 4.42Å; I502-I538 HydrophobicContact CG2-CG2 4.12Å; T503-I538 HydrophobicContact CG2-CD1 4.39Å; T503-I538 WeakPolarHBondContact OG1-CD1 3.2Å; I512-I538 HydrophobicContact CD1-CD1 3.71Å; I512-I538 HydrophobicContact CD1-CG1 4.28Å; I534-I538 HydrophobicContact CG2-CD1 3.89Å; I534-I538 HydrophobicContact CG2-CG1 4.41Å; I534-I538 WeakPolarHBondContact O-CG1 3.25Å; I534-I538 PolarHBondContact O-N 2.91Å; K535-I538 PolarHBondContact O-N 3.22Å; I538-Q540 VanDerWaalsContact C-N 3.28Å; I538-Q540 PolarHBondContact O-N 3.33Å; I538-F541 WeakPolarHBondContact O-CB 3.43Å; I538-F541 PolarHBondContact O-N 3.3Å; I538-F541 VanDerWaalsContact O-N 3.14Å; I538-I542 HydrophobicContact CG2-CD1 3.81Å; I538-I542 HydrophobicContact CG2-CG1 4.33Å; I538-I542 WeakPolarHBondContact O-CG1 3.4Å; I538-I542 PolarHBondContact O-N 3.41Å; I538-W574 HydrophobicContact CG1-CH2 4.02Å; I538-W574 HydrophobicContact CG1-CZ3 4.18Å
539	N	90.9	Very high	87.3	Confident	43 Å²	43	61.5 Å²	61.5	23%	0.23	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-42.6	176.8	-158.9	66.7	0	0	0	111.3	Q495 K535 N536 F541 I542 D543	Q495-N539 PolarHBondContact NE2-OD1 3.08Å; K535-N539 WeakPolarHBondContact O-CB 3.39Å; K535-N539 PolarHBondContact O-N 3.29Å; N536-N539 WeakPolarHBondContact O-CB 3.34Å; N536-N539 PolarHBondContact O-N 3.3Å; N539-F541 VanDerWaalsContact C-N 3.34Å; N539-F541 PolarHBondContact O-N 2.98Å; N539-I542 PolarHBondContact O-N 3.12Å; N539-D543 PolarHBondContact ND2-OD2 2.96Å; N539-D543 WeakPolarHBondContact O-CB 3.43Å; N539-D543 PolarHBondContact O-N 2.79Å; N539-D543 PolarHBondContact OD1-OD2 2.93Å
540	Q	90.1	Very high	87.8	Confident	87 Å²	87	57.1 Å²	57.1	41%	0.407	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-39.3	174.8	-72.3	173.3	3	0	0	112.4	N536 K537 I538 Y544 Y545 Y577	N536-Q540 WeakPolarHBondContact O-CG 3.34Å; N536-Q540 PolarHBondContact O-N 3.35Å; K537-Q540 PolarHBondContact O-N 3.38Å; I538-Q540 VanDerWaalsContact C-N 3.28Å; I538-Q540 PolarHBondContact O-N 3.33Å; Q540-Y544 HydrophobicContact CB-CD2 4.16Å; Q540-Y544 HydrophobicContact CG-CD2 4.22Å; Q540-Y544 HydrophobicContact CG-CE2 4.32Å; Q540-Y544 WeakPolarHBondContact O-CA 3.22Å; Q540-Y544 VanDerWaalsContact O-CB 3.31Å; Q540-Y544 WeakPolarHBondContact O-CB 3.25Å; Q540-Y544 PolarHBondContact O-N 3.49Å; Q540-Y545 PolarHBondContact O-N 2.92Å; Q540-Y577 WeakPolarHBondContact CB-OH 3.43Å
541	F	91.6	Very high	88.5	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-61.3	-46.5	173.2	171.5	-109.1	0	0	0	111.8	I502 K537 I538 N539 Y545 L546 L573 W574 Y577	I502-F541 HydrophobicContact CG2-CD1 4.18Å; I502-F541 HydrophobicContact CG2-CE1 4.09Å; K537-F541 PolarHBondContact O-N 3Å; I538-F541 WeakPolarHBondContact O-CB 3.43Å; I538-F541 PolarHBondContact O-N 3.3Å; I538-F541 VanDerWaalsContact O-N 3.14Å; N539-F541 VanDerWaalsContact C-N 3.34Å; N539-F541 PolarHBondContact O-N 2.98Å; F541-Y545 AromaticContact CD2-CD1 3.59Å; F541-Y545 HydrophobicContact CD2-CD1 3.59Å; F541-Y545 HydrophobicContact CD2-CE1 4.44Å; F541-Y545 HydrophobicContact CD2-CG 4Å; F541-Y545 AromaticContact CE2-CD1 3.28Å; F541-Y545 HydrophobicContact CE2-CD1 3.28Å; F541-Y545 AromaticContact CE2-CE1 3.78Å; F541-Y545 HydrophobicContact CE2-CE1 3.78Å; F541-Y545 HydrophobicContact CE2-CG 4.15Å; F541-Y545 HydrophobicContact CZ-CD1 4.27Å; F541-Y545 CarbonylContact O-C 3.5Å; F541-Y545 VanDerWaalsContact O-CA 3.31Å; F541-Y545 WeakPolarHBondContact O-CA 3.21Å; F541-Y545 VanDerWaalsContact O-CB 3.23Å; F541-Y545 WeakPolarHBondContact O-CB 3.5Å; F541-Y545 PolarHBondContact O-N 3.48Å; F541-L546 HydrophobicContact CE1-CD2 4.21Å; F541-L546 HydrophobicContact CZ-CD1 4.07Å; F541-L546 HydrophobicContact CZ-CD2 4.5Å; F541-L546 PolarHBondContact O-N 3.03Å; F541-L573 HydrophobicContact CZ-CB 4.25Å; F541-W574 HydrophobicContact CB-CE3 3.92Å; F541-W574 HydrophobicContact CB-CZ3 3.48Å; F541-W574 VanDerWaalsContact CB-CZ3 3.48Å; F541-W574 AromaticContact CD1-CE3 3.66Å; F541-W574 HydrophobicContact CD1-CE3 3.66Å; F541-W574 AromaticContact CD1-CZ3 3.91Å; F541-W574 HydrophobicContact CD1-CZ3 3.91Å; F541-W574 AromaticContact CD2-CE3 3.81Å; F541-W574 HydrophobicContact CD2-CE3 3.81Å; F541-W574 HydrophobicContact CD2-CZ3 4.26Å; F541-W574 HydrophobicContact CE1-CE3 4.05Å; F541-W574 HydrophobicContact CE2-CB 4.44Å; F541-W574 HydrophobicContact CE2-CE3 4.16Å; F541-W574 AromaticContact CG-CE3 3.51Å; F541-W574 HydrophobicContact CG-CE3 3.51Å; F541-W574 AromaticContact CG-CZ3 3.63Å; F541-W574 HydrophobicContact CG-CZ3 3.63Å; F541-W574 HydrophobicContact CZ-CB 4.32Å; F541-W574 HydrophobicContact CZ-CE3 4.28Å; F541-Y577 HydrophobicContact CB-CD1 3.94Å; F541-Y577 HydrophobicContact CB-CE1 3.81Å; F541-Y577 HydrophobicContact CB-CG 4.45Å; F541-Y577 AromaticContact CD2-CD1 3.65Å; F541-Y577 HydrophobicContact CD2-CD1 3.65Å; F541-Y577 HydrophobicContact CD2-CD2 4.23Å; F541-Y577 HydrophobicContact CD2-CE1 4.38Å; F541-Y577 AromaticContact CD2-CG 3.56Å; F541-Y577 HydrophobicContact CD2-CG 3.56Å; F541-Y577 HydrophobicContact CE2-CG 4.31Å; F541-Y577 HydrophobicContact CG-CD1 4.19Å; F541-Y577 HydrophobicContact CG-CG 4.46Å
542	I	90.9	Very high	89.1	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.225	C	C	.	.	I	π-helix	trans	-65.7	-53.9	-179.5	-66.8	168.6	0	0	0	110.8	K498 I499 I502 I538 N539 G547 L551	K498-I542 HydrophobicContact CB-CD1 4.38Å; K498-I542 HydrophobicContact CD-CG2 4.39Å; I499-I542 HydrophobicContact CG1-CD1 4.08Å; I502-I542 HydrophobicContact CB-CD1 4.17Å; I502-I542 HydrophobicContact CG1-CD1 3.93Å; I502-I542 HydrophobicContact CG1-CG1 4.04Å; I538-I542 HydrophobicContact CG2-CD1 3.81Å; I538-I542 HydrophobicContact CG2-CG1 4.33Å; I538-I542 WeakPolarHBondContact O-CG1 3.4Å; I538-I542 PolarHBondContact O-N 3.41Å; N539-I542 PolarHBondContact O-N 3.12Å; I542-G547 PolarHBondContact O-N 3.2Å; I542-L551 HydrophobicContact CG2-CD2 4.16Å
543	D	87.3	Confident	89.6	Confident	68 Å²	68	42.2 Å²	42.2	36%	0.364	20%	0.201	S	C	.	.	I	π-helix	trans	-79.6	-37.9	-168.4	-62.5	-24.2	0	0	0	112.3	Q495 K498 N539	Q495-D543 PolarHBondContact NE2-OD1 3.46Å; Q495-D543 VanDerWaalsContact NE2-OD1 3.16Å; Q495-D543 PolarHBondContact NE2-OD2 3.45Å; K498-D543 IonicContact NZ-OD1 3.91Å; N539-D543 PolarHBondContact ND2-OD2 2.96Å; N539-D543 WeakPolarHBondContact O-CB 3.43Å; N539-D543 PolarHBondContact O-N 2.79Å; N539-D543 PolarHBondContact OD1-OD2 2.93Å
544	Y	84.8	Confident	90	Very high	175 Å²	175	35.4 Å²	35.4	69%	0.686	17%	0.172	S	C	*	.	I	π-helix	trans	-99.9	-37.3	-178.2	-61.7	-76.8	0	0	0	113.7	R173 Q540	R173-Y544 PolarHBondContact NE-O 3.25Å; R173-Y544 PolarHBondContact NH2-O 2.95Å; Q540-Y544 HydrophobicContact CB-CD2 4.16Å; Q540-Y544 HydrophobicContact CG-CD2 4.22Å; Q540-Y544 HydrophobicContact CG-CE2 4.32Å; Q540-Y544 WeakPolarHBondContact O-CA 3.22Å; Q540-Y544 VanDerWaalsContact O-CB 3.31Å; Q540-Y544 WeakPolarHBondContact O-CB 3.25Å; Q540-Y544 PolarHBondContact O-N 3.49Å
545	Y	89	Confident	90.4	Very high	8 Å²	8	33.2 Å²	33.2	3%	0.031	16%	0.16	C	C	.	.	I	π-helix	trans	-85.4	-58.7	-177.6	-174.9	-94.7	0	0	0	112.2	I169 R173 Q540 F541 L573 N576 Y577 L580	I169-Y545 VanDerWaalsContact CG2-O 3.26Å; I169-Y545 WeakPolarHBondContact CG2-O 3.47Å; R173-Y545 VanDerWaalsContact NH2-C 3.27Å; R173-Y545 VanDerWaalsContact NH2-CD2 3.31Å; R173-Y545 PolarHBondContact NH2-O 2.62Å; Q540-Y545 PolarHBondContact O-N 2.92Å; F541-Y545 AromaticContact CD2-CD1 3.59Å; F541-Y545 HydrophobicContact CD2-CD1 3.59Å; F541-Y545 HydrophobicContact CD2-CE1 4.44Å; F541-Y545 HydrophobicContact CD2-CG 4Å; F541-Y545 AromaticContact CE2-CD1 3.28Å; F541-Y545 HydrophobicContact CE2-CD1 3.28Å; F541-Y545 AromaticContact CE2-CE1 3.78Å; F541-Y545 HydrophobicContact CE2-CE1 3.78Å; F541-Y545 HydrophobicContact CE2-CG 4.15Å; F541-Y545 HydrophobicContact CZ-CD1 4.27Å; F541-Y545 CarbonylContact O-C 3.5Å; F541-Y545 VanDerWaalsContact O-CA 3.31Å; F541-Y545 WeakPolarHBondContact O-CA 3.21Å; F541-Y545 VanDerWaalsContact O-CB 3.23Å; F541-Y545 WeakPolarHBondContact O-CB 3.5Å; F541-Y545 PolarHBondContact O-N 3.48Å; Y545-L573 HydrophobicContact CE1-CB 4.35Å; Y545-L573 HydrophobicContact CE1-CD2 4.47Å; Y545-L573 WeakPolarHBondContact CE1-O 3.34Å; Y545-N576 WeakPolarHBondContact OH-CB 3.33Å; Y545-Y577 AromaticContact CD2-CD2 3.77Å; Y545-Y577 HydrophobicContact CD2-CD2 3.77Å; Y545-Y577 HydrophobicContact CD2-CG 4.36Å; Y545-Y577 AromaticContact CG-CD2 3.74Å; Y545-Y577 HydrophobicContact CG-CD2 3.74Å; Y545-Y577 HydrophobicContact CG-CG 4.15Å; Y545-L580 HydrophobicContact CD2-CD1 4.25Å; Y545-L580 HydrophobicContact CE2-CD1 3.67Å
546	L	90.1	Very high	90.6	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.141	C	C	.	.	I	π-helix	trans	-74.8	-51	-174	-144.1	60.1	0	0	0	110.8	I169 I502 F541 S550 L551 I554 L573	I169-L546 HydrophobicContact CD1-CD1 4.45Å; I502-L546 HydrophobicContact CD1-CD2 4.46Å; F541-L546 HydrophobicContact CE1-CD2 4.21Å; F541-L546 HydrophobicContact CZ-CD1 4.07Å; F541-L546 HydrophobicContact CZ-CD2 4.5Å; F541-L546 PolarHBondContact O-N 3.03Å; L546-S550 WeakPolarHBondContact O-CB 3.23Å; L546-S550 PolarHBondContact O-OG 2.9Å; L546-L551 HydrophobicContact CD2-CB 4.11Å; L546-L551 HydrophobicContact CD2-CD1 3.96Å; L546-I554 HydrophobicContact CD1-CD1 4.05Å; L546-I554 HydrophobicContact CD2-CD1 3.6Å; L546-I554 HydrophobicContact CG-CD1 4.19Å; L546-L573 HydrophobicContact CD1-CD1 3.92Å
547	G	88.3	Confident	90.9	Very high	23 Å²	23	24.5 Å²	24.5	24%	0.237	12%	0.118	C	C	.	.	H	α-helix	trans	74.3	168.7	-168.8	0	0	0	0	0	111.9	I542 L551	I542-G547 PolarHBondContact O-N 3.2Å; G547-L551 WeakPolarHBondContact O-CB 3.5Å; G547-L551 PolarHBondContact O-N 2.8Å
548	L	89.4	Confident	91.1	Very high	37 Å²	37	23.2 Å²	23.2	19%	0.194	12%	0.115	C	C	.	.	H	α-helix	trans	-70.3	-41.2	-174.7	-65.5	178	0	0	0	112.5	N377 V380 K498 S550 L551 F552	N377-L548 HydrophobicContact CB-CD1 4.45Å; N377-L548 WeakPolarHBondContact OD1-CB 3.46Å; N377-L548 WeakPolarHBondContact OD1-CD1 3.49Å; V380-L548 VanDerWaalsContact CG2-C 3.49Å; V380-L548 HydrophobicContact CG2-CB 3.94Å; V380-L548 VanDerWaalsContact CG2-O 3.32Å; V380-L548 WeakPolarHBondContact CG2-O 3.38Å; K498-L548 HydrophobicContact CD-CD2 4.39Å; L548-S550 PolarHBondContact O-N 3.34Å; L548-L551 PolarHBondContact O-N 3.27Å; L548-F552 WeakPolarHBondContact O-CB 3.48Å; L548-F552 PolarHBondContact O-N 3.33Å
549	D	91.2	Very high	91	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-45.4	-179	-75.3	-10.1	0	0	0	111.9	F134 G376 N377 Y378 L379 V380 F552 I553	F134-D549 HydrophobicContact CD2-CB 4.49Å; F134-D549 HydrophobicContact CE2-CB 3.83Å; G376-D549 VanDerWaalsContact C-OD2 3.24Å; G376-D549 WeakPolarHBondContact O-CB 3.42Å; G376-D549 PolarHBondContact O-N 2.87Å; G376-D549 VanDerWaalsContact O-OD2 3.09Å; N377-D549 WeakPolarHBondContact CA-OD1 3.47Å; Y378-D549 PolarHBondContact N-OD1 3.46Å; Y378-D549 PolarHBondContact N-OD2 2.96Å; Y378-D549 VanDerWaalsContact N-OD2 3.14Å; L379-D549 HydrophobicContact CB-CB 4.14Å; L379-D549 WeakPolarHBondContact CB-OD1 3.5Å; L379-D549 PolarHBondContact N-OD1 2.9Å; L379-D549 PolarHBondContact N-OD2 2.82Å; V380-D549 WeakPolarHBondContact CG2-OD1 3.27Å; V380-D549 PolarHBondContact N-OD1 3.03Å; D549-F552 WeakPolarHBondContact O-CB 3.24Å; D549-F552 PolarHBondContact O-N 2.85Å; D549-I553 WeakPolarHBondContact O-CG1 3.5Å; D549-I553 PolarHBondContact O-N 3.41Å
550	S	91.5	Very high	90.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-40	177.4	-53	0	0	0	0	112.3	M165 I169 L546 L548 F552 I553 I554	M165-S550 VanDerWaalsContact CE-CB 3.44Å; M165-S550 WeakPolarHBondContact CE-O 3.44Å; I169-S550 WeakPolarHBondContact CD1-OG 3.34Å; I169-S550 WeakPolarHBondContact CG1-OG 3.34Å; L546-S550 WeakPolarHBondContact O-CB 3.23Å; L546-S550 PolarHBondContact O-OG 2.9Å; L548-S550 PolarHBondContact O-N 3.34Å; S550-F552 VanDerWaalsContact C-N 3.32Å; S550-I553 WeakPolarHBondContact O-CB 3.35Å; S550-I553 PolarHBondContact O-N 3.3Å; S550-I554 WeakPolarHBondContact O-CG1 3.28Å; S550-I554 PolarHBondContact O-N 3.49Å; S550-I554 VanDerWaalsContact O-N 3.09Å
551	L	92.6	Very high	90.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-41	174.9	179.9	65.8	0	0	0	111.3	K498 F501 I502 I542 L546 G547 L548 I553 I554 Y555	K498-L551 HydrophobicContact CB-CD2 4.14Å; K498-L551 HydrophobicContact CD-CD2 3.37Å; K498-L551 HydrophobicContact CG-CD2 3.7Å; F501-L551 HydrophobicContact CD1-CD1 4.45Å; I502-L551 HydrophobicContact CD1-CD1 3.84Å; I502-L551 HydrophobicContact CG1-CD1 4.17Å; I542-L551 HydrophobicContact CG2-CD2 4.16Å; L546-L551 HydrophobicContact CD2-CB 4.11Å; L546-L551 HydrophobicContact CD2-CD1 3.96Å; G547-L551 WeakPolarHBondContact O-CB 3.5Å; G547-L551 PolarHBondContact O-N 2.8Å; L548-L551 PolarHBondContact O-N 3.27Å; L551-I553 VanDerWaalsContact C-N 3.34Å; L551-I553 PolarHBondContact O-N 2.86Å; L551-I554 PolarHBondContact O-N 3.47Å; L551-Y555 HydrophobicContact CD1-CD2 4.47Å; L551-Y555 HydrophobicContact CD1-CE2 3.97Å; L551-Y555 HydrophobicContact CD2-CE2 3.94Å; L551-Y555 HydrophobicContact CG-CD2 4.02Å; L551-Y555 HydrophobicContact CG-CE2 3.61Å; L551-Y555 VanDerWaalsContact O-CD2 3.26Å; L551-Y555 WeakPolarHBondContact O-CD2 3.3Å; L551-Y555 PolarHBondContact O-N 2.92Å
552	F	93.9	Very high	90.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-41.1	174	167.4	-101.6	0	0	0	112.4	W125 L379 V380 Y383 W488 L492 L548 D549 S550 I554 Y555 L556	W125-F552 AromaticContact CH2-CE1 3.92Å; W125-F552 HydrophobicContact CH2-CE1 3.92Å; W125-F552 HydrophobicContact CH2-CZ 4.06Å; L379-F552 HydrophobicContact CD2-CD1 3.66Å; L379-F552 HydrophobicContact CD2-CE1 3.82Å; L379-F552 HydrophobicContact CG-CD1 3.84Å; L379-F552 HydrophobicContact CG-CE1 3.77Å; V380-F552 HydrophobicContact CG2-CB 3.48Å; V380-F552 VanDerWaalsContact CG2-CB 3.48Å; V380-F552 HydrophobicContact CG2-CG 4Å; Y383-F552 HydrophobicContact CD1-CD2 4.42Å; Y383-F552 AromaticContact CD1-CE2 3.36Å; Y383-F552 HydrophobicContact CD1-CE2 3.36Å; Y383-F552 AromaticContact CD1-CZ 3.7Å; Y383-F552 HydrophobicContact CD1-CZ 3.7Å; Y383-F552 HydrophobicContact CD2-CE2 4.16Å; Y383-F552 AromaticContact CD2-CZ 3.6Å; Y383-F552 HydrophobicContact CD2-CZ 3.6Å; Y383-F552 AromaticContact CE1-CE2 3.74Å; Y383-F552 HydrophobicContact CE1-CE2 3.74Å; Y383-F552 HydrophobicContact CE1-CZ 4.16Å; Y383-F552 HydrophobicContact CE2-CE2 4.46Å; Y383-F552 HydrophobicContact CE2-CZ 4.08Å; Y383-F552 HydrophobicContact CG-CE1 4.42Å; Y383-F552 AromaticContact CG-CE2 3.58Å; Y383-F552 HydrophobicContact CG-CE2 3.58Å; Y383-F552 AromaticContact CG-CZ 3.37Å; Y383-F552 HydrophobicContact CG-CZ 3.37Å; W488-F552 HydrophobicContact CE3-CD2 4.33Å; W488-F552 HydrophobicContact CE3-CE2 4.32Å; W488-F552 AromaticContact CH2-CD2 3.98Å; W488-F552 HydrophobicContact CH2-CD2 3.98Å; W488-F552 AromaticContact CH2-CE2 3.65Å; W488-F552 HydrophobicContact CH2-CE2 3.65Å; W488-F552 HydrophobicContact CZ2-CE2 4.38Å; W488-F552 AromaticContact CZ3-CD2 3.56Å; W488-F552 HydrophobicContact CZ3-CD2 3.56Å; W488-F552 AromaticContact CZ3-CE2 3.63Å; W488-F552 HydrophobicContact CZ3-CE2 3.63Å; L492-F552 HydrophobicContact CD1-CD2 4.32Å; L492-F552 HydrophobicContact CD2-CB 4.04Å; L492-F552 HydrophobicContact CD2-CD2 4.21Å; L548-F552 WeakPolarHBondContact O-CB 3.48Å; L548-F552 PolarHBondContact O-N 3.33Å; D549-F552 WeakPolarHBondContact O-CB 3.24Å; D549-F552 PolarHBondContact O-N 2.85Å; S550-F552 VanDerWaalsContact C-N 3.32Å; F552-I554 VanDerWaalsContact C-N 3.31Å; F552-I554 PolarHBondContact O-N 2.97Å; F552-Y555 WeakPolarHBondContact O-CB 3.31Å; F552-Y555 PolarHBondContact O-N 3.1Å; F552-Y555 VanDerWaalsContact O-N 3.11Å; F552-L556 HydrophobicContact CD1-CD1 4.12Å; F552-L556 HydrophobicContact CE1-CD1 3.33Å; F552-L556 HydrophobicContact CE1-CG 3.98Å; F552-L556 HydrophobicContact CE2-CD1 4.22Å; F552-L556 HydrophobicContact CE2-CD2 4.23Å; F552-L556 HydrophobicContact CE2-CG 4Å; F552-L556 HydrophobicContact CZ-CD1 3.4Å; F552-L556 VanDerWaalsContact CZ-CD1 3.4Å; F552-L556 HydrophobicContact CZ-CD2 3.98Å; F552-L556 HydrophobicContact CZ-CG 3.67Å; F552-L556 PolarHBondContact O-N 3.11Å
553	I	93.6	Very high	90.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.2	-42.8	173.4	-68.6	168.4	0	0	0	110.8	F134 L136 I139 M165 L379 D549 S550 L551 Y555 L556 I557	F134-I553 HydrophobicContact CB-CD1 4.18Å; F134-I553 HydrophobicContact CD1-CD1 3.72Å; F134-I553 HydrophobicContact CD2-CD1 4.07Å; F134-I553 HydrophobicContact CE1-CD1 4.04Å; F134-I553 HydrophobicContact CE2-CD1 4.33Å; F134-I553 HydrophobicContact CG-CD1 3.74Å; F134-I553 HydrophobicContact CZ-CD1 4.34Å; L136-I553 HydrophobicContact CD1-CD1 4.42Å; L136-I553 HydrophobicContact CD1-CG1 3.88Å; I139-I553 HydrophobicContact CD1-CD1 4.2Å; I139-I553 HydrophobicContact CG2-CG2 3.78Å; M165-I553 HydrophobicContact CE-CB 4.18Å; M165-I553 HydrophobicContact CE-CG2 4.2Å; L379-I553 HydrophobicContact CD2-CD1 4.09Å; L379-I553 HydrophobicContact CD2-CG1 3.84Å; D549-I553 WeakPolarHBondContact O-CG1 3.5Å; D549-I553 PolarHBondContact O-N 3.41Å; S550-I553 WeakPolarHBondContact O-CB 3.35Å; S550-I553 PolarHBondContact O-N 3.3Å; L551-I553 VanDerWaalsContact C-N 3.34Å; L551-I553 PolarHBondContact O-N 2.86Å; I553-Y555 VanDerWaalsContact C-N 3.3Å; I553-Y555 PolarHBondContact O-N 2.95Å; I553-L556 PolarHBondContact O-N 3.2Å; I553-I557 HydrophobicContact CG2-CD1 3.85Å; I553-I557 HydrophobicContact CG2-CG1 4.39Å; I553-I557 VanDerWaalsContact O-CG1 3.31Å; I553-I557 WeakPolarHBondContact O-CG1 3.29Å; I553-I557 PolarHBondContact O-N 3.25Å
554	I	94.7	Very high	90.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-37.8	176.2	-65.6	167.2	0	0	0	111.1	M165 F501 L546 S550 L551 F552 I557 T558 A566 L573	M165-I554 HydrophobicContact CE-CD1 4.21Å; M165-I554 HydrophobicContact CE-CG1 3.99Å; F501-I554 HydrophobicContact CE1-CG2 3.99Å; F501-I554 HydrophobicContact CZ-CG2 4.3Å; L546-I554 HydrophobicContact CD1-CD1 4.05Å; L546-I554 HydrophobicContact CD2-CD1 3.6Å; L546-I554 HydrophobicContact CG-CD1 4.19Å; S550-I554 WeakPolarHBondContact O-CG1 3.28Å; S550-I554 PolarHBondContact O-N 3.49Å; S550-I554 VanDerWaalsContact O-N 3.09Å; L551-I554 PolarHBondContact O-N 3.47Å; F552-I554 VanDerWaalsContact C-N 3.31Å; F552-I554 PolarHBondContact O-N 2.97Å; I554-I557 PolarHBondContact O-N 3.06Å; I554-T558 WeakPolarHBondContact O-CB 3.46Å; I554-T558 PolarHBondContact O-N 2.97Å; I554-T558 PolarHBondContact O-OG1 3.29Å; I554-A566 HydrophobicContact CG2-CB 4.48Å; I554-L573 HydrophobicContact CD1-CD1 4.16Å
555	Y	93.9	Very high	91	Very high	8 Å²	8	22.2 Å²	22.2	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-43.3	172.8	-77.3	-58.5	0	0	0	112.2	R491 L492 F501 L551 F552 I553 T558 S559	R491-Y555 PolarHBondContact O-OH 3.4Å; L492-Y555 HydrophobicContact CD2-CD2 3.96Å; L492-Y555 HydrophobicContact CD2-CE2 4.23Å; F501-Y555 HydrophobicContact CB-CE1 4.35Å; F501-Y555 HydrophobicContact CD1-CD1 4.32Å; F501-Y555 AromaticContact CD1-CE1 3.49Å; F501-Y555 HydrophobicContact CD1-CE1 3.49Å; F501-Y555 VanDerWaalsContact CD1-CE1 3.49Å; F501-Y555 AromaticContact CD1-CZ 3.63Å; F501-Y555 HydrophobicContact CD2-CD1 4.43Å; F501-Y555 AromaticContact CD2-CE1 3.63Å; F501-Y555 HydrophobicContact CD2-CE1 3.63Å; F501-Y555 AromaticContact CE1-CD1 3.87Å; F501-Y555 HydrophobicContact CE1-CD1 3.87Å; F501-Y555 AromaticContact CE1-CE1 3.5Å; F501-Y555 HydrophobicContact CE1-CE1 3.5Å; F501-Y555 VanDerWaalsContact CE1-CE1 3.5Å; F501-Y555 AromaticContact CE1-CZ 3.94Å; F501-Y555 AromaticContact CE2-CD1 3.97Å; F501-Y555 HydrophobicContact CE2-CD1 3.97Å; F501-Y555 AromaticContact CE2-CE1 3.62Å; F501-Y555 HydrophobicContact CE2-CE1 3.62Å; F501-Y555 AromaticContact CG-CE1 3.55Å; F501-Y555 HydrophobicContact CG-CE1 3.55Å; F501-Y555 AromaticContact CG-CZ 3.88Å; F501-Y555 AromaticContact CZ-CD1 3.67Å; F501-Y555 HydrophobicContact CZ-CD1 3.67Å; F501-Y555 AromaticContact CZ-CE1 3.55Å; F501-Y555 HydrophobicContact CZ-CE1 3.55Å; L551-Y555 HydrophobicContact CD1-CD2 4.47Å; L551-Y555 HydrophobicContact CD1-CE2 3.97Å; L551-Y555 HydrophobicContact CD2-CE2 3.94Å; L551-Y555 HydrophobicContact CG-CD2 4.02Å; L551-Y555 HydrophobicContact CG-CE2 3.61Å; L551-Y555 VanDerWaalsContact O-CD2 3.26Å; L551-Y555 WeakPolarHBondContact O-CD2 3.3Å; L551-Y555 PolarHBondContact O-N 2.92Å; F552-Y555 WeakPolarHBondContact O-CB 3.31Å; F552-Y555 PolarHBondContact O-N 3.1Å; F552-Y555 VanDerWaalsContact O-N 3.11Å; I553-Y555 VanDerWaalsContact C-N 3.3Å; I553-Y555 PolarHBondContact O-N 2.95Å; Y555-T558 WeakPolarHBondContact O-CB 3.25Å; Y555-T558 PolarHBondContact O-N 2.89Å; Y555-S559 PolarHBondContact O-N 3.31Å; Y555-S559 PolarHBondContact O-OG 3.35Å
556	L	92.5	Very high	91.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-46.2	175.4	-74.8	178.1	0	0	0	112.1	L136 L140 W488 F552 I553 T558 S559 N560	L136-L556 HydrophobicContact CD1-CD1 4.19Å; L136-L556 HydrophobicContact CD2-CD1 4.18Å; L140-L556 HydrophobicContact CD2-CB 4.17Å; W488-L556 HydrophobicContact CH2-CD2 4.15Å; W488-L556 HydrophobicContact CZ2-CD2 4.31Å; F552-L556 HydrophobicContact CD1-CD1 4.12Å; F552-L556 HydrophobicContact CE1-CD1 3.33Å; F552-L556 HydrophobicContact CE1-CG 3.98Å; F552-L556 HydrophobicContact CE2-CD1 4.22Å; F552-L556 HydrophobicContact CE2-CD2 4.23Å; F552-L556 HydrophobicContact CE2-CG 4Å; F552-L556 HydrophobicContact CZ-CD1 3.4Å; F552-L556 VanDerWaalsContact CZ-CD1 3.4Å; F552-L556 HydrophobicContact CZ-CD2 3.98Å; F552-L556 HydrophobicContact CZ-CG 3.67Å; F552-L556 PolarHBondContact O-N 3.11Å; I553-L556 PolarHBondContact O-N 3.2Å; L556-T558 VanDerWaalsContact C-N 3.27Å; L556-T558 PolarHBondContact O-N 3.11Å; L556-S559 PolarHBondContact O-N 3.47Å; L556-N560 WeakPolarHBondContact O-CB 3.4Å; L556-N560 PolarHBondContact O-N 3.11Å
557	I	93.1	Very high	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-41.6	176.2	-66.4	169.1	0	0	0	110.1	I139 L140 A143 L161 I553 I554 S559 C561 G562 L565 A566 L569	I139-I557 HydrophobicContact CG2-CD1 4.03Å; L140-I557 HydrophobicContact CD2-CG1 3.88Å; A143-I557 HydrophobicContact CB-CD1 4.49Å; A143-I557 HydrophobicContact CB-CG1 4.26Å; A143-I557 HydrophobicContact CB-CG2 4.25Å; L161-I557 HydrophobicContact CD2-CD1 4.46Å; I553-I557 HydrophobicContact CG2-CD1 3.85Å; I553-I557 HydrophobicContact CG2-CG1 4.39Å; I553-I557 VanDerWaalsContact O-CG1 3.31Å; I553-I557 WeakPolarHBondContact O-CG1 3.29Å; I553-I557 PolarHBondContact O-N 3.25Å; I554-I557 PolarHBondContact O-N 3.06Å; I557-S559 PolarHBondContact O-N 3.49Å; I557-C561 HydrophobicContact CG2-CB 3.97Å; I557-C561 CarbonylContact O-C 3.5Å; I557-C561 WeakPolarHBondContact O-CA 3.17Å; I557-C561 WeakPolarHBondContact O-CB 3.39Å; I557-C561 PolarHBondContact O-N 2.84Å; I557-G562 PolarHBondContact O-N 3.32Å; I557-L565 HydrophobicContact CG2-CD2 4Å; I557-A566 HydrophobicContact CG2-CB 4.03Å; I557-L569 HydrophobicContact CD1-CD2 3.55Å
558	T	92.6	Very high	91.5	Very high	32 Å²	32	23.7 Å²	23.7	20%	0.196	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-45.9	177	-60.9	0	0	0	0	111.6	F501 Y505 I554 Y555 L556 L563 A566	F501-T558 HydrophobicContact CE2-CG2 4.4Å; Y505-T558 WeakPolarHBondContact OH-CG2 3.44Å; Y505-T558 PolarHBondContact OH-OG1 3.24Å; I554-T558 WeakPolarHBondContact O-CB 3.46Å; I554-T558 PolarHBondContact O-N 2.97Å; I554-T558 PolarHBondContact O-OG1 3.29Å; Y555-T558 WeakPolarHBondContact O-CB 3.25Å; Y555-T558 PolarHBondContact O-N 2.89Å; L556-T558 VanDerWaalsContact C-N 3.27Å; L556-T558 PolarHBondContact O-N 3.11Å; T558-L563 HydrophobicContact CG2-CD1 4.45Å; T558-A566 WeakPolarHBondContact OG1-CB 2.93Å
559	S	88.5	Confident	91.7	Very high	61 Å²	61	21.9 Å²	21.9	43%	0.427	13%	0.126	S	C	.	.	H	α-helix	trans	-70.4	-37.2	-177.7	-64.2	0	0	0	0	113	Y555 L556 I557	Y555-S559 PolarHBondContact O-N 3.31Å; Y555-S559 PolarHBondContact O-OG 3.35Å; L556-S559 PolarHBondContact O-N 3.47Å; I557-S559 PolarHBondContact O-N 3.49Å
560	N	88.2	Confident	91.9	Very high	43 Å²	43	21.9 Å²	21.9	23%	0.23	13%	0.126	C	C	.	.	H	α-helix	trans	-110.1	-31.5	-167	-68.2	-34.1	0	0	0	114.7	F22 D24 L556	F22-N560 HydrophobicContact CB-CB 4.39Å; F22-N560 HydrophobicContact CD1-CB 4.36Å; F22-N560 PolarHBondContact O-ND2 3.42Å; D24-N560 PolarHBondContact O-ND2 3.37Å; D24-N560 VanDerWaalsContact O-ND2 3.12Å; D24-N560 PolarHBondContact O-OD1 2.99Å; L556-N560 WeakPolarHBondContact O-CB 3.4Å; L556-N560 PolarHBondContact O-N 3.11Å
561	C	88.7	Confident	91.9	Very high	5 Å²	5	22 Å²	22	3%	0.034	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-21	-177.4	-53.8	0	0	0	0	112.8	A143 N147 I557 L565	A143-C561 HydrophobicContact CB-CB 4.1Å; N147-C561 WeakPolarHBondContact CB-O 3.19Å; N147-C561 PolarHBondContact ND2-O 3.43Å; N147-C561 PolarHBondContact OD1-O 3.42Å; I557-C561 HydrophobicContact CG2-CB 3.97Å; I557-C561 CarbonylContact O-C 3.5Å; I557-C561 WeakPolarHBondContact O-CA 3.17Å; I557-C561 WeakPolarHBondContact O-CB 3.39Å; I557-C561 PolarHBondContact O-N 2.84Å; C561-L565 HydrophobicContact CB-CD2 4.02Å
562	G	88.6	Confident	91.9	Very high	23 Å²	23	23.2 Å²	23.2	24%	0.237	13%	0.134	C	C	.	.			trans	123.3	155.8	172.9	0	0	0	0	0	114.8	I557 A566	I557-G562 PolarHBondContact O-N 3.32Å; G562-A566 PolarHBondContact O-N 3.19Å
563	L	90.9	Very high	91.9	Very high	101 Å²	101	23.2 Å²	23.2	53%	0.529	13%	0.134	S	C	.	.	H	α-helix	trans	-66.1	-41.4	-176.5	175.8	59.4	0	0	0	113	Y505 T558 S567	Y505-L563 HydrophobicContact CD1-CD1 4.28Å; Y505-L563 HydrophobicContact CE1-CD1 3.29Å; Y505-L563 HydrophobicContact CE2-CD1 4.37Å; Y505-L563 WeakPolarHBondContact OH-CD1 3.36Å; T558-L563 HydrophobicContact CG2-CD1 4.45Å; L563-S567 WeakPolarHBondContact O-CB 3.47Å; L563-S567 PolarHBondContact O-N 3.29Å
564	L	89.9	Confident	92	Very high	114 Å²	114	23.4 Å²	23.4	60%	0.597	13%	0.134	S	C	*	.	H	α-helix	trans	-64	-53.6	-175.5	-178.7	62.6	0	0	0	111.3	A566 S567 E568	L564-A566 VanDerWaalsContact C-N 3.31Å; L564-A566 PolarHBondContact O-N 3.49Å; L564-S567 WeakPolarHBondContact O-CA 3.45Å; L564-S567 WeakPolarHBondContact O-CB 3.21Å; L564-S567 PolarHBondContact O-N 3.46Å; L564-S567 PolarHBondContact O-OG 2.77Å; L564-E568 PolarHBondContact O-N 3.11Å
565	L	90.1	Very high	91.8	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-56.9	-43.9	178.5	-171.7	83.9	0	0	0	112.2	A143 A146 V158 I557 C561 S567 E568 L569	A143-L565 HydrophobicContact CB-CD2 3.64Å; A143-L565 WeakPolarHBondContact O-CD2 3.3Å; A146-L565 HydrophobicContact CB-CD1 3.68Å; A146-L565 HydrophobicContact CB-CD2 4.45Å; V158-L565 HydrophobicContact CG2-CD1 3.32Å; V158-L565 HydrophobicContact CG2-CG 4.2Å; I557-L565 HydrophobicContact CG2-CD2 4Å; C561-L565 HydrophobicContact CB-CD2 4.02Å; L565-S567 VanDerWaalsContact C-N 3.28Å; L565-S567 PolarHBondContact O-N 3.21Å; L565-E568 PolarHBondContact O-N 3.22Å; L565-L569 WeakPolarHBondContact O-CB 3.45Å; L565-L569 PolarHBondContact O-N 3.04Å
566	A	93.2	Very high	91.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-34.7	177.3	0	0	0	0	0	112.2	Y505 I554 I557 T558 G562 L564 T570	Y505-A566 HydrophobicContact CE2-CB 3.96Å; I554-A566 HydrophobicContact CG2-CB 4.48Å; I557-A566 HydrophobicContact CG2-CB 4.03Å; T558-A566 WeakPolarHBondContact OG1-CB 2.93Å; G562-A566 PolarHBondContact O-N 3.19Å; L564-A566 VanDerWaalsContact C-N 3.31Å; L564-A566 PolarHBondContact O-N 3.49Å; A566-T570 WeakPolarHBondContact O-CB 3.38Å; A566-T570 PolarHBondContact O-N 3.03Å; A566-T570 PolarHBondContact O-OG1 3.18Å
567	S	92.2	Very high	91.5	Very high	8 Å²	8	30.8 Å²	30.8	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-68.8	-43.4	177.2	78.1	0	0	0	0	112.2	L509 L563 L564 L565 T570 A571	L509-S567 VanDerWaalsContact CD1-O 3.29Å; L509-S567 WeakPolarHBondContact CD1-O 3.38Å; L563-S567 WeakPolarHBondContact O-CB 3.47Å; L563-S567 PolarHBondContact O-N 3.29Å; L564-S567 WeakPolarHBondContact O-CA 3.45Å; L564-S567 WeakPolarHBondContact O-CB 3.21Å; L564-S567 PolarHBondContact O-N 3.46Å; L564-S567 PolarHBondContact O-OG 2.77Å; L565-S567 VanDerWaalsContact C-N 3.28Å; L565-S567 PolarHBondContact O-N 3.21Å; S567-T570 PolarHBondContact O-N 3.5Å; S567-A571 WeakPolarHBondContact O-CB 3.35Å; S567-A571 PolarHBondContact O-N 2.98Å
568	E	92.2	Very high	91.3	Very high	57 Å²	57	33.4 Å²	33.4	27%	0.266	18%	0.18	S	C	.	.	H	α-helix	trans	-65.6	-43.9	177	-66.3	-178.2	171.5	0	0	111.6	V158 L564 L565 T570 A571 D572	V158-E568 HydrophobicContact CG1-CB 3.95Å; V158-E568 HydrophobicContact CG2-CB 4.49Å; L564-E568 PolarHBondContact O-N 3.11Å; L565-E568 PolarHBondContact O-N 3.22Å; E568-T570 VanDerWaalsContact C-N 3.3Å; E568-T570 PolarHBondContact O-N 2.89Å; E568-A571 WeakPolarHBondContact O-CB 3.34Å; E568-A571 PolarHBondContact O-N 3.5Å; E568-D572 PolarHBondContact O-N 3.38Å
569	L	93.8	Very high	91.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-44.4	173.8	177.4	62.9	0	0	0	111.4	V158 L161 M165 I557 L565 A571 D572 L573	V158-L569 HydrophobicContact CG1-CB 4.19Å; L161-L569 HydrophobicContact CB-CD1 4.29Å; L161-L569 HydrophobicContact CD2-CD1 4.25Å; L161-L569 HydrophobicContact CD2-CD2 3.96Å; L161-L569 HydrophobicContact CG-CD1 3.99Å; L161-L569 HydrophobicContact CG-CD2 4.34Å; M165-L569 HydrophobicContact SD-CD2 4.23Å; I557-L569 HydrophobicContact CD1-CD2 3.55Å; L565-L569 WeakPolarHBondContact O-CB 3.45Å; L565-L569 PolarHBondContact O-N 3.04Å; L569-A571 VanDerWaalsContact C-N 3.33Å; L569-A571 PolarHBondContact O-N 3.45Å; L569-D572 PolarHBondContact O-N 3.21Å; L569-L573 HydrophobicContact CD1-CD1 4.24Å; L569-L573 HydrophobicContact CD1-CG 4.43Å; L569-L573 HydrophobicContact CG-CD1 4.13Å; L569-L573 WeakPolarHBondContact O-CB 3.21Å; L569-L573 VanDerWaalsContact O-CG 3.27Å; L569-L573 WeakPolarHBondContact O-CG 3.43Å; L569-L573 PolarHBondContact O-N 3.35Å
570	T	94.4	Very high	91.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-39.7	177.9	-58.6	0	0	0	0	111.4	I502 Y505 A566 S567 E568 L573 W574	I502-T570 HydrophobicContact CD1-CG2 3.87Å; I502-T570 HydrophobicContact CG2-CG2 4.36Å; Y505-T570 HydrophobicContact CD2-CG2 4.47Å; A566-T570 WeakPolarHBondContact O-CB 3.38Å; A566-T570 PolarHBondContact O-N 3.03Å; A566-T570 PolarHBondContact O-OG1 3.18Å; S567-T570 PolarHBondContact O-N 3.5Å; E568-T570 VanDerWaalsContact C-N 3.3Å; E568-T570 PolarHBondContact O-N 2.89Å; T570-L573 PolarHBondContact O-N 3.21Å; T570-W574 WeakPolarHBondContact O-CB 3.37Å; T570-W574 PolarHBondContact O-N 3.42Å
571	A	93.3	Very high	91.1	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-45.4	176.1	0	0	0	0	0	112.6	L509 L511 S567 E568 L569 L573 W574 K575	L509-A571 HydrophobicContact CD1-CB 3.48Å; L509-A571 VanDerWaalsContact CD1-CB 3.48Å; L511-A571 HydrophobicContact CD1-CB 3.47Å; L511-A571 VanDerWaalsContact CD1-CB 3.47Å; S567-A571 WeakPolarHBondContact O-CB 3.35Å; S567-A571 PolarHBondContact O-N 2.98Å; E568-A571 WeakPolarHBondContact O-CB 3.34Å; E568-A571 PolarHBondContact O-N 3.5Å; L569-A571 VanDerWaalsContact C-N 3.33Å; L569-A571 PolarHBondContact O-N 3.45Å; A571-L573 VanDerWaalsContact C-N 3.34Å; A571-L573 PolarHBondContact O-N 2.94Å; A571-W574 WeakPolarHBondContact O-CB 3.5Å; A571-W574 PolarHBondContact O-N 2.73Å; A571-K575 WeakPolarHBondContact O-CG 3.28Å; A571-K575 PolarHBondContact O-N 3.47Å
572	D	92.5	Very high	91.1	Very high	24 Å²	24	42.3 Å²	42.3	13%	0.128	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-35.2	178.4	-80.6	-4.5	0	0	0	112.2	E568 L569 W574 K575 N576	E568-D572 PolarHBondContact O-N 3.38Å; L569-D572 PolarHBondContact O-N 3.21Å; D572-W574 VanDerWaalsContact C-N 3.32Å; D572-K575 IonicContact OD1-NZ 3.88Å; D572-K575 PolarHBondContact OD1-NZ 2.86Å; D572-N576 PolarHBondContact O-N 3.41Å; D572-N576 VanDerWaalsContact O-N 3.13Å; D572-N576 PolarHBondContact O-ND2 3.12Å
573	L	94	Very high	91	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-36.9	171.3	-71.2	171.7	0	0	0	111.8	M165 F541 Y545 L546 I554 L569 T570 A571 N576 Y577	M165-L573 HydrophobicContact CB-CD2 4.48Å; M165-L573 HydrophobicContact CE-CD1 4.21Å; M165-L573 HydrophobicContact CG-CD1 4.45Å; M165-L573 HydrophobicContact SD-CD1 3.81Å; F541-L573 HydrophobicContact CZ-CB 4.25Å; Y545-L573 HydrophobicContact CE1-CB 4.35Å; Y545-L573 HydrophobicContact CE1-CD2 4.47Å; Y545-L573 WeakPolarHBondContact CE1-O 3.34Å; L546-L573 HydrophobicContact CD1-CD1 3.92Å; I554-L573 HydrophobicContact CD1-CD1 4.16Å; L569-L573 HydrophobicContact CD1-CD1 4.24Å; L569-L573 HydrophobicContact CD1-CG 4.43Å; L569-L573 HydrophobicContact CG-CD1 4.13Å; L569-L573 WeakPolarHBondContact O-CB 3.21Å; L569-L573 VanDerWaalsContact O-CG 3.27Å; L569-L573 WeakPolarHBondContact O-CG 3.43Å; L569-L573 PolarHBondContact O-N 3.35Å; T570-L573 PolarHBondContact O-N 3.21Å; A571-L573 VanDerWaalsContact C-N 3.34Å; A571-L573 PolarHBondContact O-N 2.94Å; L573-N576 PolarHBondContact O-N 3.4Å; L573-Y577 PolarHBondContact O-N 2.65Å
574	W	93.9	Very high	90.6	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-47.3	174.8	177	-94	0	0	0	112.3	L506 K537 I538 F541 T570 A571 D572 N576 Y577 E578	L506-W574 HydrophobicContact CD1-CD2 3.76Å; L506-W574 HydrophobicContact CD1-CE3 3.66Å; L506-W574 HydrophobicContact CD1-CG 4.22Å; L506-W574 HydrophobicContact CD1-CH2 4.48Å; L506-W574 HydrophobicContact CD1-CZ3 4.03Å; L506-W574 HydrophobicContact CD2-CB 3.75Å; L506-W574 HydrophobicContact CD2-CD2 4.21Å; L506-W574 HydrophobicContact CD2-CG 3.77Å; K537-W574 HydrophobicContact CD-CH2 4Å; K537-W574 HydrophobicContact CD-CZ2 4.04Å; K537-W574 HydrophobicContact CG-CH2 3.94Å; K537-W574 HydrophobicContact CG-CZ2 4.49Å; I538-W574 HydrophobicContact CG1-CH2 4.02Å; I538-W574 HydrophobicContact CG1-CZ3 4.18Å; F541-W574 HydrophobicContact CB-CE3 3.92Å; F541-W574 HydrophobicContact CB-CZ3 3.48Å; F541-W574 VanDerWaalsContact CB-CZ3 3.48Å; F541-W574 AromaticContact CD1-CE3 3.66Å; F541-W574 HydrophobicContact CD1-CE3 3.66Å; F541-W574 AromaticContact CD1-CZ3 3.91Å; F541-W574 HydrophobicContact CD1-CZ3 3.91Å; F541-W574 AromaticContact CD2-CE3 3.81Å; F541-W574 HydrophobicContact CD2-CE3 3.81Å; F541-W574 HydrophobicContact CD2-CZ3 4.26Å; F541-W574 HydrophobicContact CE1-CE3 4.05Å; F541-W574 HydrophobicContact CE2-CB 4.44Å; F541-W574 HydrophobicContact CE2-CE3 4.16Å; F541-W574 AromaticContact CG-CE3 3.51Å; F541-W574 HydrophobicContact CG-CE3 3.51Å; F541-W574 AromaticContact CG-CZ3 3.63Å; F541-W574 HydrophobicContact CG-CZ3 3.63Å; F541-W574 HydrophobicContact CZ-CB 4.32Å; F541-W574 HydrophobicContact CZ-CE3 4.28Å; T570-W574 WeakPolarHBondContact O-CB 3.37Å; T570-W574 PolarHBondContact O-N 3.42Å; A571-W574 WeakPolarHBondContact O-CB 3.5Å; A571-W574 PolarHBondContact O-N 2.73Å; D572-W574 VanDerWaalsContact C-N 3.32Å; W574-N576 VanDerWaalsContact C-N 3.28Å; W574-N576 PolarHBondContact O-N 2.83Å; W574-Y577 HydrophobicContact CE3-CD1 4.22Å; W574-Y577 HydrophobicContact CH2-CE1 4.48Å; W574-Y577 HydrophobicContact CZ3-CD1 4.18Å; W574-Y577 HydrophobicContact CZ3-CE1 4.31Å; W574-Y577 WeakPolarHBondContact O-CA 3.38Å; W574-Y577 WeakPolarHBondContact O-CB 3.4Å; W574-Y577 PolarHBondContact O-N 3.27Å; W574-E578 HydrophobicContact CZ2-CG 4.32Å; W574-E578 PolarHBondContact NE1-OE1 3.48Å; W574-E578 PolarHBondContact NE1-OE2 2.82Å; W574-E578 PolarHBondContact O-N 3.24Å
575	K	92.1	Very high	90.4	Very high	108 Å²	108	44.9 Å²	44.9	47%	0.47	21%	0.211	S	C	.	.	H	α-helix	trans	-56	-44.2	175.6	-68.1	171.5	-166.2	159.5	0	111.5	A571 D572 Y577 E578 Y579	A571-K575 WeakPolarHBondContact O-CG 3.28Å; A571-K575 PolarHBondContact O-N 3.47Å; D572-K575 IonicContact OD1-NZ 3.88Å; D572-K575 PolarHBondContact OD1-NZ 2.86Å; K575-Y577 VanDerWaalsContact C-N 3.31Å; K575-Y577 PolarHBondContact O-N 3.21Å; K575-E578 PolarHBondContact O-N 2.97Å; K575-Y579 PolarHBondContact O-N 2.95Å
576	N	89.2	Confident	90.2	Very high	35 Å²	35	48.8 Å²	48.8	19%	0.187	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-39.5	175.2	-83.9	-67.5	0	0	0	112.6	K166 Y545 D572 L573 W574 L580	K166-N576 HydrophobicContact CD-CB 4.36Å; K166-N576 PolarHBondContact NZ-OD1 3.19Å; Y545-N576 WeakPolarHBondContact OH-CB 3.33Å; D572-N576 PolarHBondContact O-N 3.41Å; D572-N576 VanDerWaalsContact O-N 3.13Å; D572-N576 PolarHBondContact O-ND2 3.12Å; L573-N576 PolarHBondContact O-N 3.4Å; W574-N576 VanDerWaalsContact C-N 3.28Å; W574-N576 PolarHBondContact O-N 2.83Å; N576-L580 WeakPolarHBondContact O-CG 3.36Å; N576-L580 PolarHBondContact O-N 3.34Å
577	Y	90.8	Very high	89.8	Confident	20 Å²	20	52.4 Å²	52.4	8%	0.078	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-43.6	174.7	168.2	-111.4	0	0	0	112.3	K537 Q540 F541 Y545 L573 W574 K575 Y579 L580 L581	K537-Y577 HydrophobicContact CG-CE1 4.29Å; Q540-Y577 WeakPolarHBondContact CB-OH 3.43Å; F541-Y577 HydrophobicContact CB-CD1 3.94Å; F541-Y577 HydrophobicContact CB-CE1 3.81Å; F541-Y577 HydrophobicContact CB-CG 4.45Å; F541-Y577 AromaticContact CD2-CD1 3.65Å; F541-Y577 HydrophobicContact CD2-CD1 3.65Å; F541-Y577 HydrophobicContact CD2-CD2 4.23Å; F541-Y577 HydrophobicContact CD2-CE1 4.38Å; F541-Y577 AromaticContact CD2-CG 3.56Å; F541-Y577 HydrophobicContact CD2-CG 3.56Å; F541-Y577 HydrophobicContact CE2-CG 4.31Å; F541-Y577 HydrophobicContact CG-CD1 4.19Å; F541-Y577 HydrophobicContact CG-CG 4.46Å; Y545-Y577 AromaticContact CD2-CD2 3.77Å; Y545-Y577 HydrophobicContact CD2-CD2 3.77Å; Y545-Y577 HydrophobicContact CD2-CG 4.36Å; Y545-Y577 AromaticContact CG-CD2 3.74Å; Y545-Y577 HydrophobicContact CG-CD2 3.74Å; Y545-Y577 HydrophobicContact CG-CG 4.15Å; L573-Y577 PolarHBondContact O-N 2.65Å; W574-Y577 HydrophobicContact CE3-CD1 4.22Å; W574-Y577 HydrophobicContact CH2-CE1 4.48Å; W574-Y577 HydrophobicContact CZ3-CD1 4.18Å; W574-Y577 HydrophobicContact CZ3-CE1 4.31Å; W574-Y577 WeakPolarHBondContact O-CA 3.38Å; W574-Y577 WeakPolarHBondContact O-CB 3.4Å; W574-Y577 PolarHBondContact O-N 3.27Å; K575-Y577 VanDerWaalsContact C-N 3.31Å; K575-Y577 PolarHBondContact O-N 3.21Å; Y577-Y579 VanDerWaalsContact C-N 3.32Å; Y577-Y579 PolarHBondContact O-N 3.19Å; Y577-L580 PolarHBondContact O-N 2.92Å; Y577-L581 PolarHBondContact O-N 3.05Å
578	E	89.3	Confident	89.4	Confident	54 Å²	54	56.9 Å²	56.9	25%	0.252	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-40.4	177.9	-69.1	-162.7	137.3	0	0	112.2	K537 W574 K575 L580 L581 N582	K537-E578 IonicContact NZ-OE1 2.66Å; K537-E578 PolarHBondContact NZ-OE1 3.19Å; W574-E578 HydrophobicContact CZ2-CG 4.32Å; W574-E578 PolarHBondContact NE1-OE1 3.48Å; W574-E578 PolarHBondContact NE1-OE2 2.82Å; W574-E578 PolarHBondContact O-N 3.24Å; K575-E578 PolarHBondContact O-N 2.97Å; E578-L580 PolarHBondContact O-N 3.28Å; E578-L581 PolarHBondContact O-N 2.95Å; E578-N582 WeakPolarHBondContact O-CB 3.43Å; E578-N582 VanDerWaalsContact O-CG 3.26Å; E578-N582 PolarHBondContact O-N 3.45Å; E578-N582 PolarHBondContact O-ND2 2.88Å
579	Y	89.9	Confident	88.9	Confident	144 Å²	144	59.4 Å²	59.4	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-55.8	-49.9	172.9	-179.4	-92.8	0	0	0	111.7	K575 Y577 L581 N582 E583	K575-Y579 PolarHBondContact O-N 2.95Å; Y577-Y579 VanDerWaalsContact C-N 3.32Å; Y577-Y579 PolarHBondContact O-N 3.19Å; Y579-L581 VanDerWaalsContact C-N 3.3Å; Y579-L581 PolarHBondContact O-N 2.87Å; Y579-N582 PolarHBondContact O-N 2.98Å; Y579-E583 PolarHBondContact O-N 3.18Å
580	L	87.1	Confident	88.2	Confident	56 Å²	56	63.8 Å²	63.8	29%	0.293	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-33.5	178.5	-69.1	172.6	0	0	0	113	Y545 N576 Y577 E578 K584	Y545-L580 HydrophobicContact CD2-CD1 4.25Å; Y545-L580 HydrophobicContact CE2-CD1 3.67Å; N576-L580 WeakPolarHBondContact O-CG 3.36Å; N576-L580 PolarHBondContact O-N 3.34Å; Y577-L580 PolarHBondContact O-N 2.92Å; E578-L580 PolarHBondContact O-N 3.28Å; L580-K584 WeakPolarHBondContact O-CG 3.1Å; L580-K584 PolarHBondContact O-N 2.94Å
581	L	87.5	Confident	87.2	Confident	44 Å²	44	70 Å²	70	23%	0.23	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-44.5	176.4	-173.8	66.8	0	0	0	111	Y577 E578 Y579 E583 K584 I585	Y577-L581 PolarHBondContact O-N 3.05Å; E578-L581 PolarHBondContact O-N 2.95Å; Y579-L581 VanDerWaalsContact C-N 3.3Å; Y579-L581 PolarHBondContact O-N 2.87Å; L581-E583 VanDerWaalsContact C-N 3.33Å; L581-E583 PolarHBondContact O-N 3.46Å; L581-K584 PolarHBondContact O-N 3.28Å; L581-I585 HydrophobicContact CG-CD1 4.17Å; L581-I585 WeakPolarHBondContact O-CG1 3.35Å; L581-I585 PolarHBondContact O-N 3.26Å
582	N	87.9	Confident	86.2	Confident	85 Å²	85	76 Å²	76	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-63.6	-39.9	178.2	-70.6	-17	0	0	0	111.6	E578 Y579 K584 I585 N586	E578-N582 WeakPolarHBondContact O-CB 3.43Å; E578-N582 VanDerWaalsContact O-CG 3.26Å; E578-N582 PolarHBondContact O-N 3.45Å; E578-N582 PolarHBondContact O-ND2 2.88Å; Y579-N582 PolarHBondContact O-N 2.98Å; N582-K584 PolarHBondContact O-N 3.07Å; N582-I585 PolarHBondContact O-N 3.39Å; N582-N586 WeakPolarHBondContact O-CB 2.95Å; N582-N586 VanDerWaalsContact O-CG 3.24Å; N582-N586 PolarHBondContact O-N 2.75Å
583	E	86.9	Confident	85.3	Confident	82 Å²	82	79.4 Å²	79.4	38%	0.383	39%	0.385	S	S	.	.	H	α-helix	trans	-60.7	-43.7	175.5	-164.3	-171.6	162.9	0	0	111.8	Y579 L581 I585 N586 N587	Y579-E583 PolarHBondContact O-N 3.18Å; L581-E583 VanDerWaalsContact C-N 3.33Å; L581-E583 PolarHBondContact O-N 3.46Å; E583-I585 VanDerWaalsContact C-N 3.35Å; E583-I585 PolarHBondContact O-N 2.68Å; E583-N586 PolarHBondContact O-N 2.87Å; E583-N587 WeakPolarHBondContact O-CB 3.29Å; E583-N587 VanDerWaalsContact O-CG 3.26Å; E583-N587 PolarHBondContact O-N 3.42Å; E583-N587 PolarHBondContact O-ND2 3.33Å
584	K	83.1	Confident	84.3	Confident	137 Å²	137	85.9 Å²	85.9	60%	0.596	41%	0.413	S	S	*	.	H	α-helix	trans	-61.9	-41.1	174.6	-74.4	176.6	-179.7	-176.8	0	112.4	L580 L581 N582 N588	L580-K584 WeakPolarHBondContact O-CG 3.1Å; L580-K584 PolarHBondContact O-N 2.94Å; L581-K584 PolarHBondContact O-N 3.28Å; N582-K584 PolarHBondContact O-N 3.07Å; K584-N588 WeakPolarHBondContact O-CB 3.44Å; K584-N588 PolarHBondContact O-N 3.41Å; K584-N588 PolarHBondContact O-ND2 3.33Å
585	I	85.4	Confident	83.1	Confident	73 Å²	73	92.6 Å²	92.6	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-64.9	-47.3	178.4	-67.5	165.4	0	0	0	110.3	L581 N582 E583 N587 N588 Q589	L581-I585 HydrophobicContact CG-CD1 4.17Å; L581-I585 WeakPolarHBondContact O-CG1 3.35Å; L581-I585 PolarHBondContact O-N 3.26Å; N582-I585 PolarHBondContact O-N 3.39Å; E583-I585 VanDerWaalsContact C-N 3.35Å; E583-I585 PolarHBondContact O-N 2.68Å; I585-N587 PolarHBondContact O-N 3.41Å; I585-N588 PolarHBondContact O-N 2.91Å; I585-Q589 HydrophobicContact CG2-CG 4.5Å; I585-Q589 WeakPolarHBondContact O-CG 2.99Å; I585-Q589 PolarHBondContact O-N 3.2Å
586	N	86.3	Confident	82	Confident	87 Å²	87	94.2 Å²	94.2	47%	0.465	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-42.8	179.4	-70.1	-11.7	0	0	0	111.6	N582 E583 N588 Q589 N590	N582-N586 WeakPolarHBondContact O-CB 2.95Å; N582-N586 VanDerWaalsContact O-CG 3.24Å; N582-N586 PolarHBondContact O-N 2.75Å; E583-N586 PolarHBondContact O-N 2.87Å; N586-N588 PolarHBondContact O-N 3.38Å; N586-Q589 PolarHBondContact O-N 2.82Å; N586-N590 WeakPolarHBondContact O-CB 3.28Å; N586-N590 PolarHBondContact O-N 3.1Å; N586-N590 PolarHBondContact O-ND2 3.37Å
587	N	85.1	Confident	81.3	Confident	76 Å²	76	99.5 Å²	99.5	41%	0.406	47%	0.471	S	S	.	.	H	α-helix	trans	-63.5	-42.4	176.2	-73.1	-22.7	0	0	0	111.9	E583 I585 N590 H591	E583-N587 WeakPolarHBondContact O-CB 3.29Å; E583-N587 VanDerWaalsContact O-CG 3.26Å; E583-N587 PolarHBondContact O-N 3.42Å; E583-N587 PolarHBondContact O-ND2 3.33Å; I585-N587 PolarHBondContact O-N 3.41Å; N587-N590 PolarHBondContact O-N 3.49Å; N587-H591 PolarHBondContact O-CD2 2.9Å; N587-H591 PolarHBondContact O-N 3.34Å
588	N	82.8	Confident	80.3	Confident	102 Å²	102	104.8 Å²	104.8	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-40.1	176.1	-74.5	-20.7	0	0	0	112.5	K584 I585 N586 H591 K592	K584-N588 WeakPolarHBondContact O-CB 3.44Å; K584-N588 PolarHBondContact O-N 3.41Å; K584-N588 PolarHBondContact O-ND2 3.33Å; I585-N588 PolarHBondContact O-N 2.91Å; N586-N588 PolarHBondContact O-N 3.38Å; N588-H591 PolarHBondContact O-N 3.02Å; N588-K592 WeakPolarHBondContact O-CG 3.37Å; N588-K592 PolarHBondContact O-N 3.1Å
589	Q	82.7	Confident	79.3	Confident	110 Å²	110	107.1 Å²	107.1	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-45.4	174.5	-73	-178.8	-2.7	0	0	111.2	I585 N586 H591 K592 T593	I585-Q589 HydrophobicContact CG2-CG 4.5Å; I585-Q589 WeakPolarHBondContact O-CG 2.99Å; I585-Q589 PolarHBondContact O-N 3.2Å; N586-Q589 PolarHBondContact O-N 2.82Å; Q589-H591 VanDerWaalsContact C-N 3.3Å; Q589-H591 PolarHBondContact O-N 2.85Å; Q589-K592 PolarHBondContact O-N 2.89Å; Q589-K592 VanDerWaalsContact O-N 3.15Å; Q589-T593 PolarHBondContact O-N 3.5Å; Q589-T593 PolarHBondContact O-OG1 2.94Å
590	N	78.6	Confident	78.4	Confident	93 Å²	93	104.4 Å²	104.4	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-59.3	-40.2	176	-72.6	-23.5	0	0	0	112.2	N586 N587 K594	N586-N590 WeakPolarHBondContact O-CB 3.28Å; N586-N590 PolarHBondContact O-N 3.1Å; N586-N590 PolarHBondContact O-ND2 3.37Å; N587-N590 PolarHBondContact O-N 3.49Å; N590-K594 WeakPolarHBondContact O-CB 3.37Å; N590-K594 WeakPolarHBondContact O-CG 3.37Å; N590-K594 PolarHBondContact O-N 3.23Å
591	H	72.5	Confident	77.7	Confident	129 Å²	129	107.4 Å²	107.4	60%	0.597	51%	0.514	S	S	*	.	H	α-helix	trans	-65.7	-43.4	173.6	-85.2	-71.8	0	0	0	112.8	N587 N588 Q589 K594 K595	N587-H591 PolarHBondContact O-CD2 2.9Å; N587-H591 PolarHBondContact O-N 3.34Å; N588-H591 PolarHBondContact O-N 3.02Å; Q589-H591 VanDerWaalsContact C-N 3.3Å; Q589-H591 PolarHBondContact O-N 2.85Å; H591-K594 PolarHBondContact O-N 2.95Å; H591-K595 WeakPolarHBondContact O-CB 3.21Å; H591-K595 PolarHBondContact O-N 3.3Å
592	K	73.7	Confident	76.8	Confident	132 Å²	132	109.8 Å²	109.8	57%	0.574	53%	0.527	S	S	*	.	H	α-helix	trans	-61.3	-44.2	175.6	-75.4	-176.5	179.7	-174.8	0	111.2	N588 Q589 K595 K596 D653	N588-K592 WeakPolarHBondContact O-CG 3.37Å; N588-K592 PolarHBondContact O-N 3.1Å; Q589-K592 PolarHBondContact O-N 2.89Å; Q589-K592 VanDerWaalsContact O-N 3.15Å; K592-K595 PolarHBondContact O-N 3.25Å; K592-K596 PolarHBondContact O-N 3.45Å; K592-D653 IonicContact NZ-OD2 3.56Å
593	T	73.7	Confident	76.1	Confident	96 Å²	96	111.8 Å²	111.8	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-64.7	-45.2	178.6	-52.9	0	0	0	0	111.7	Q589 K595 K596 F597	Q589-T593 PolarHBondContact O-N 3.5Å; Q589-T593 PolarHBondContact O-OG1 2.94Å; T593-K595 PolarHBondContact O-N 2.67Å; T593-K596 PolarHBondContact O-N 2.9Å; T593-F597 PolarHBondContact O-N 3.4Å
594	K	71.9	Confident	75.3	Confident	136 Å²	136	115.3 Å²	115.3	59%	0.591	55%	0.548	S	S	*	.	H	α-helix	trans	-58.5	-46.3	173.2	-76.5	-179.5	179.8	-176.4	0	111.4	N590 H591 K596 F597 F598	N590-K594 WeakPolarHBondContact O-CB 3.37Å; N590-K594 WeakPolarHBondContact O-CG 3.37Å; N590-K594 PolarHBondContact O-N 3.23Å; H591-K594 PolarHBondContact O-N 2.95Å; K594-K596 PolarHBondContact O-N 3.13Å; K594-F597 WeakPolarHBondContact O-CB 3.46Å; K594-F597 PolarHBondContact O-N 2.8Å; K594-F598 WeakPolarHBondContact O-CD2 3.34Å; K594-F598 PolarHBondContact O-N 3.17Å
595	K	68.4	Low	74.7	Confident	145 Å²	145	113 Å²	113	63%	0.63	54%	0.543	S	S	*	.	H	α-helix	trans	-61.7	-41.5	178.8	-169.5	175	-178.4	177.4	0	112.4	H591 K592 T593 F597 F598 L599	H591-K595 WeakPolarHBondContact O-CB 3.21Å; H591-K595 PolarHBondContact O-N 3.3Å; K592-K595 PolarHBondContact O-N 3.25Å; T593-K595 PolarHBondContact O-N 2.67Å; K595-F597 VanDerWaalsContact C-N 3.33Å; K595-F598 PolarHBondContact O-N 3.07Å; K595-L599 HydrophobicContact CG-CD1 4.23Å; K595-L599 PolarHBondContact O-N 3.41Å
596	K	69.3	Low	74	Confident	143 Å²	143	114.5 Å²	114.5	62%	0.622	55%	0.551	S	S	*	*	H	α-helix	trans	-64	-38.6	175.6	-165.3	175	-178	179.6	0	111.6	K592 T593 K594 L599 N600	K592-K596 PolarHBondContact O-N 3.45Å; T593-K596 PolarHBondContact O-N 2.9Å; K594-K596 PolarHBondContact O-N 3.13Å; K596-L599 PolarHBondContact O-N 3.43Å; K596-N600 WeakPolarHBondContact O-CB 3.29Å; K596-N600 PolarHBondContact O-N 3.43Å
597	F	74.1	Confident	73.2	Confident	145 Å²	145	116.5 Å²	116.5	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-63.2	-45.7	174.6	-170.2	-91.2	0	0	0	112.3	T593 K594 K595 N600 K601	T593-F597 PolarHBondContact O-N 3.4Å; K594-F597 WeakPolarHBondContact O-CB 3.46Å; K594-F597 PolarHBondContact O-N 2.8Å; K595-F597 VanDerWaalsContact C-N 3.33Å; F597-N600 PolarHBondContact O-N 3.44Å; F597-K601 PolarHBondContact O-N 3.47Å
598	F	69.8	Low	72.5	Confident	132 Å²	132	119.1 Å²	119.1	58%	0.579	57%	0.571	S	S	*	*	H	α-helix	trans	-63.4	-41.5	176	-78.6	-72.7	0	0	0	112.9	K594 K595 K601 N602	K594-F598 WeakPolarHBondContact O-CD2 3.34Å; K594-F598 PolarHBondContact O-N 3.17Å; K595-F598 PolarHBondContact O-N 3.07Å; F598-K601 PolarHBondContact O-N 3.18Å; F598-N602 PolarHBondContact O-N 3.45Å; F598-N602 VanDerWaalsContact O-N 3.1Å
599	L	68.3	Low	72.1	Confident	102 Å²	102	120.3 Å²	120.3	53%	0.534	57%	0.571	S	S	.	*	H	α-helix	trans	-62.5	-44.5	175.9	-80.3	161.7	0	0	0	112.2	K595 K596 K601 N602 Q603	K595-L599 HydrophobicContact CG-CD1 4.23Å; K595-L599 PolarHBondContact O-N 3.41Å; K596-L599 PolarHBondContact O-N 3.43Å; L599-K601 VanDerWaalsContact C-N 3.32Å; L599-K601 PolarHBondContact O-N 3.13Å; L599-N602 PolarHBondContact O-N 3.4Å; L599-Q603 PolarHBondContact O-N 3.48Å
600	N	71.2	Confident	71.5	Confident	88 Å²	88	119.4 Å²	119.4	47%	0.471	57%	0.57	S	S	.	*	H	α-helix	trans	-63.9	-36.8	176.6	-82.6	5	0	0	0	112.3	K596 F597 Q603 K604	K596-N600 WeakPolarHBondContact O-CB 3.29Å; K596-N600 PolarHBondContact O-N 3.43Å; F597-N600 PolarHBondContact O-N 3.44Å; N600-Q603 PolarHBondContact O-N 3.47Å; N600-K604 PolarHBondContact O-N 3.25Å
601	K	73	Confident	71.2	Confident	118 Å²	118	122.5 Å²	122.5	51%	0.513	58%	0.579	S	S	.	*	H	α-helix	trans	-64.5	-42.5	176.6	-165.4	175.6	-177.9	178.7	0	111.5	F597 F598 L599 K604 N605	F597-K601 PolarHBondContact O-N 3.47Å; F598-K601 PolarHBondContact O-N 3.18Å; L599-K601 VanDerWaalsContact C-N 3.32Å; L599-K601 PolarHBondContact O-N 3.13Å; K601-K604 PolarHBondContact O-N 3.25Å; K601-N605 PolarHBondContact O-N 2.77Å
602	N	68.5	Low	71	Confident	94 Å²	94	118.7 Å²	118.7	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-66.7	-39.4	176.9	-70.9	-6.2	0	0	0	112.5	F598 L599 N605 N606	F598-N602 PolarHBondContact O-N 3.45Å; F598-N602 VanDerWaalsContact O-N 3.1Å; L599-N602 PolarHBondContact O-N 3.4Å; N602-N605 PolarHBondContact O-N 3.2Å; N602-N606 WeakPolarHBondContact O-CB 3.44Å; N602-N606 PolarHBondContact O-N 3.39Å
603	Q	72.5	Confident	70.7	Confident	128 Å²	128	115.4 Å²	115.4	60%	0.598	56%	0.555	S	S	*	*	H	α-helix	trans	-62.3	-43.4	173.7	-84.6	-174.4	-22.4	0	0	112.4	L599 N600 N606 Q607	L599-Q603 PolarHBondContact O-N 3.48Å; N600-Q603 PolarHBondContact O-N 3.47Å; Q603-N606 PolarHBondContact O-N 2.83Å; Q603-Q607 WeakPolarHBondContact O-CG 3.11Å; Q603-Q607 PolarHBondContact O-N 3.14Å
604	K	69.8	Low	70.3	Confident	155 Å²	155	115.8 Å²	115.8	67%	0.674	55%	0.554	S	S	*	*	H	α-helix	trans	-61.9	-43.8	175.1	-89.5	-173.1	175.3	-176	0	112	N600 K601 Q607 L608	N600-K604 PolarHBondContact O-N 3.25Å; K601-K604 PolarHBondContact O-N 3.25Å; K604-Q607 PolarHBondContact O-N 2.97Å; K604-L608 PolarHBondContact O-N 3.46Å
605	N	71.7	Confident	69.8	Low	90 Å²	90	112.1 Å²	112.1	48%	0.481	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-41.2	177.9	-73.1	-1.4	0	0	0	112	K601 N602 L608 F609	K601-N605 PolarHBondContact O-N 2.77Å; N602-N605 PolarHBondContact O-N 3.2Å; N605-L608 PolarHBondContact O-N 2.68Å; N605-F609 WeakPolarHBondContact O-CB 3.37Å; N605-F609 PolarHBondContact O-N 2.81Å
606	N	69.4	Low	69.3	Low	103 Å²	103	108.4 Å²	108.4	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-65.9	-38.1	175.4	-75.3	-3.3	0	0	0	112.4	N602 Q603 L608 F609 N610	N602-N606 WeakPolarHBondContact O-CB 3.44Å; N602-N606 PolarHBondContact O-N 3.39Å; Q603-N606 PolarHBondContact O-N 2.83Å; N606-L608 VanDerWaalsContact C-N 3.34Å; N606-F609 PolarHBondContact O-N 2.82Å; N606-N610 WeakPolarHBondContact O-CB 3.28Å; N606-N610 VanDerWaalsContact O-CG 3.25Å; N606-N610 PolarHBondContact O-N 2.72Å
607	Q	70.8	Confident	68.6	Low	129 Å²	129	105.7 Å²	105.7	60%	0.603	52%	0.524	S	S	*	.	H	α-helix	trans	-64.8	-39.2	173.2	-76.4	-178.1	-8.7	0	0	112	Q603 K604 K611	Q603-Q607 WeakPolarHBondContact O-CG 3.11Å; Q603-Q607 PolarHBondContact O-N 3.14Å; K604-Q607 PolarHBondContact O-N 2.97Å; Q607-K611 WeakPolarHBondContact O-CG 3.41Å; Q607-K611 PolarHBondContact O-N 3.36Å
608	L	70.9	Confident	67.7	Low	131 Å²	131	106.6 Å²	106.6	69%	0.686	53%	0.527	S	S	*	.	H	α-helix	trans	-65.2	-44.6	176.5	-146.2	96.5	0	0	0	111	K604 N605 N606 K611 S612	K604-L608 PolarHBondContact O-N 3.46Å; N605-L608 PolarHBondContact O-N 2.68Å; N606-L608 VanDerWaalsContact C-N 3.34Å; L608-K611 PolarHBondContact O-N 3.46Å; L608-S612 PolarHBondContact O-N 2.89Å; L608-S612 PolarHBondContact O-OG 3.14Å
609	F	73.7	Confident	67	Low	127 Å²	127	105.5 Å²	105.5	56%	0.557	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-41.5	176.9	-173.3	-101.6	0	0	0	112.7	N605 N606 K611 S612 I613	N605-F609 WeakPolarHBondContact O-CB 3.37Å; N605-F609 PolarHBondContact O-N 2.81Å; N606-F609 PolarHBondContact O-N 2.82Å; F609-K611 VanDerWaalsContact C-N 3.34Å; F609-K611 PolarHBondContact O-N 3.06Å; F609-S612 WeakPolarHBondContact CA-OG 3.39Å; F609-S612 PolarHBondContact O-N 3.35Å; F609-S612 PolarHBondContact O-OG 3Å; F609-I613 HydrophobicContact CE1-CD1 3.27Å; F609-I613 HydrophobicContact CD1-CD1 3.81Å; F609-I613 PolarHBondContact O-N 3.39Å; F609-I613 WeakPolarHBondContact O-CG1 3.18Å; F609-I613 HydrophobicContact CZ-CD1 3.72Å; F609-I613 HydrophobicContact CZ-CG1 4.44Å; F609-I613 HydrophobicContact CE1-CG1 4.24Å
610	N	70.7	Confident	66	Low	91 Å²	91	105.9 Å²	105.9	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-67.7	-34.6	175.8	-73	-10.3	0	0	0	112.2	N606 N614	N606-N610 WeakPolarHBondContact O-CB 3.28Å; N606-N610 VanDerWaalsContact O-CG 3.25Å; N606-N610 PolarHBondContact O-N 2.72Å; N610-N614 WeakPolarHBondContact O-CB 3.37Å; N610-N614 VanDerWaalsContact O-CG 3.24Å; N610-N614 PolarHBondContact O-N 3.28Å; N610-N614 PolarHBondContact O-ND2 2.89Å
611	K	71	Confident	65.1	Low	158 Å²	158	108.6 Å²	108.6	69%	0.687	54%	0.544	S	S	*	.	H	α-helix	trans	-65.1	-42.6	172.9	-80	-176.8	178.7	-177.4	0	111.7	Q607 L608 F609 N614 S615	Q607-K611 WeakPolarHBondContact O-CG 3.41Å; Q607-K611 PolarHBondContact O-N 3.36Å; L608-K611 PolarHBondContact O-N 3.46Å; F609-K611 VanDerWaalsContact C-N 3.34Å; F609-K611 PolarHBondContact O-N 3.06Å; K611-N614 PolarHBondContact O-N 3.37Å; K611-S615 PolarHBondContact O-N 3.42Å; K611-S615 PolarHBondContact O-OG 3.39Å
612	S	68.8	Low	64.1	Low	49 Å²	49	109.3 Å²	109.3	34%	0.343	55%	0.553	S	S	.	*	H	α-helix	trans	-66.1	-39.8	177.9	53.8	0	0	0	0	112.6	L608 F609 S615 I616	L608-S612 PolarHBondContact O-N 2.89Å; L608-S612 PolarHBondContact O-OG 3.14Å; F609-S612 WeakPolarHBondContact CA-OG 3.39Å; F609-S612 PolarHBondContact O-N 3.35Å; F609-S612 PolarHBondContact O-OG 3Å; S612-S615 WeakPolarHBondContact CA-OG 3.48Å; S612-S615 PolarHBondContact O-N 2.91Å; S612-S615 PolarHBondContact O-OG 3.05Å; S612-I616 VanDerWaalsContact O-CG1 3.29Å; S612-I616 WeakPolarHBondContact O-CG1 3.38Å; S612-I616 PolarHBondContact O-N 3.4Å
613	I	67.7	Low	62.8	Low	63 Å²	63	110.4 Å²	110.4	32%	0.323	56%	0.559	S	S	.	*	H	α-helix	trans	-62.5	-44.2	173.9	-72.6	-178.7	0	0	0	111	F609 S615 I616 N617	F609-I613 HydrophobicContact CE1-CD1 3.27Å; F609-I613 HydrophobicContact CD1-CD1 3.81Å; F609-I613 PolarHBondContact O-N 3.39Å; F609-I613 WeakPolarHBondContact O-CG1 3.18Å; F609-I613 HydrophobicContact CZ-CD1 3.72Å; F609-I613 HydrophobicContact CZ-CG1 4.44Å; F609-I613 HydrophobicContact CE1-CG1 4.24Å; I613-S615 PolarHBondContact O-N 2.8Å; I613-S615 VanDerWaalsContact C-N 3.3Å; I613-I616 PolarHBondContact O-N 2.03Å; I613-N617 PolarHBondContact O-N 2.83Å
614	N	64.8	Low	61.1	Low	104 Å²	104	111.9 Å²	111.9	56%	0.556	57%	0.571	S	S	*	*	H	α-helix	trans	-64.8	-33.2	178.8	-73.7	-14.1	0	0	0	112.8	N610 K611 K618	N610-N614 WeakPolarHBondContact O-CB 3.37Å; N610-N614 VanDerWaalsContact O-CG 3.24Å; N610-N614 PolarHBondContact O-N 3.28Å; N610-N614 PolarHBondContact O-ND2 2.89Å; K611-N614 PolarHBondContact O-N 3.37Å; N614-K618 PolarHBondContact O-N 2.79Å; N614-K618 VanDerWaalsContact O-N 3.11Å
615	S	62.2	Low	59.5	Low	60 Å²	60	111.3 Å²	111.3	42%	0.42	58%	0.575	S	S	.	*	H	α-helix	trans	-69.9	-39.5	172.2	48.3	0	0	0	0	112.6	K611 S612 I613 K618 I619	K611-S615 PolarHBondContact O-N 3.42Å; K611-S615 PolarHBondContact O-OG 3.39Å; S612-S615 WeakPolarHBondContact CA-OG 3.48Å; S612-S615 PolarHBondContact O-N 2.91Å; S612-S615 PolarHBondContact O-OG 3.05Å; I613-S615 PolarHBondContact O-N 2.8Å; I613-S615 VanDerWaalsContact C-N 3.3Å; S615-K618 PolarHBondContact O-N 2.87Å; S615-I619 PolarHBondContact O-N 3.31Å; S615-I619 VanDerWaalsContact O-N 3.08Å; S615-I619 WeakPolarHBondContact O-CG1 3.42Å; S615-I619 VanDerWaalsContact O-CG1 3.32Å
616	I	57.2	Low	57.8	Low	66 Å²	66	114.7 Å²	114.7	34%	0.338	59%	0.594	S	S	.	*	H	α-helix	trans	-65.1	-43.8	177.5	-67.7	164.1	0	0	0	110.3	S612 I613 K618 I619 N620	S612-I616 VanDerWaalsContact O-CG1 3.29Å; S612-I616 WeakPolarHBondContact O-CG1 3.38Å; S612-I616 PolarHBondContact O-N 3.4Å; I613-I616 PolarHBondContact O-N 2.03Å; I616-K618 VanDerWaalsContact C-N 3.32Å; I616-K618 PolarHBondContact O-N 3.31Å; I616-I619 PolarHBondContact O-N 2.77Å; I616-I619 VanDerWaalsContact O-N 3.14Å; I616-N620 PolarHBondContact O-N 3.13Å
617	N	53.9	Low	56.1	Low	86 Å²	86	117.4 Å²	117.4	46%	0.46	61%	0.606	S	S	.	*	H	α-helix	trans	-64.4	-35.1	176.6	-71.4	-12.4	0	0	0	112.6	I613 I619 N621	I613-N617 PolarHBondContact O-N 2.83Å; N617-I619 VanDerWaalsContact C-N 3.34Å; N617-N621 PolarHBondContact O-N 2.77Å; N617-N621 VanDerWaalsContact O-N 3.13Å
618	K	56.1	Low	54.3	Low	164 Å²	164	118.4 Å²	118.4	71%	0.713	61%	0.614	S	S	*	*	H	α-helix	trans	-65.8	-35.4	172.9	-94.4	-174	175.3	-176	0	112.9	N614 S615 I616	N614-K618 PolarHBondContact O-N 2.79Å; N614-K618 VanDerWaalsContact O-N 3.11Å; S615-K618 PolarHBondContact O-N 2.87Å; I616-K618 VanDerWaalsContact C-N 3.32Å; I616-K618 PolarHBondContact O-N 3.31Å
619	I	55	Low	52.3	Low	109 Å²	109	118.5 Å²	118.5	56%	0.559	61%	0.614	S	S	*	*	H	α-helix	trans	-70.9	-43.8	177.5	-66.9	164.1	0	0	0	109.9	S615 I616 N617 N621 N622 N623	S615-I619 PolarHBondContact O-N 3.31Å; S615-I619 VanDerWaalsContact O-N 3.08Å; S615-I619 WeakPolarHBondContact O-CG1 3.42Å; S615-I619 VanDerWaalsContact O-CG1 3.32Å; I616-I619 PolarHBondContact O-N 2.77Å; I616-I619 VanDerWaalsContact O-N 3.14Å; N617-I619 VanDerWaalsContact C-N 3.34Å; I619-N621 VanDerWaalsContact C-N 3.33Å; I619-N621 PolarHBondContact O-N 2.05Å; I619-N622 PolarHBondContact O-N 3.48Å; I619-N622 VanDerWaalsContact O-N 3.13Å; I619-N623 PolarHBondContact O-N 2.87Å
620	N	48.4	Very low	50.1	Low	110 Å²	110	119 Å²	119	59%	0.588	62%	0.623	S	S	*	*	H	α-helix	trans	-65	-31.8	179.2	-79.1	0.9	0	0	0	113.7	I616 N622	I616-N620 PolarHBondContact O-N 3.13Å; N620-N622 VanDerWaalsContact C-N 3.26Å; N620-N622 PolarHBondContact O-N 3.37Å
621	N	51.1	Low	48	Very low	145 Å²	145	123.2 Å²	123.2	78%	0.775	64%	0.639	S	S	*	*	H	α-helix	trans	-73	-18.1	175.8	-84.5	0.8	0	0	0	113.8	N617 I619	N617-N621 PolarHBondContact O-N 2.77Å; N617-N621 VanDerWaalsContact O-N 3.13Å; I619-N621 VanDerWaalsContact C-N 3.33Å; I619-N621 PolarHBondContact O-N 2.05Å
622	N	51.9	Low	46	Very low	133 Å²	133	123.6 Å²	123.6	71%	0.711	65%	0.647	S	S	*	*	H	α-helix	trans	-104.2	-18	-173.7	-83.1	4.5	0	0	0	114.7	I619 N620	I619-N622 PolarHBondContact O-N 3.48Å; I619-N622 VanDerWaalsContact O-N 3.13Å; N620-N622 VanDerWaalsContact C-N 3.26Å; N620-N622 PolarHBondContact O-N 3.37Å
623	N	41.3	Very low	43.9	Very low	117 Å²	117	132.1 Å²	132.1	63%	0.626	67%	0.673	S	S	*	*			trans	-136	107.6	179.5	-70.8	-30.1	0	0	0	110.8	I619 D625	I619-N623 PolarHBondContact O-N 2.87Å; N623-D625 VanDerWaalsContact C-N 3.26Å; N623-D625 PolarHBondContact O-N 3.13Å
624	N	36.3	Very low	42	Very low	159 Å²	159	139 Å²	139	85%	0.85	70%	0.7	S	S	*	*			trans	-52.5	102.2	140.3	-76.3	-21.2	0	0	0	106.1
625	D	37.8	Very low	40.2	Very low	143 Å²	143	143 Å²	143	77%	0.765	72%	0.716	S	S	*	*	S	Bend	trans	171.1	128.4	134.5	-80.4	-22.2	0	0	0	110.6	N623 I627	N623-D625 VanDerWaalsContact C-N 3.26Å; N623-D625 PolarHBondContact O-N 3.13Å; D625-I627 PolarHBondContact O-N 3.32Å
626	N	34.2	Very low	38.5	Very low	162 Å²	162	145.6 Å²	145.6	87%	0.866	73%	0.734	S	S	*	*			trans	-52	108.3	-174.8	-61.9	-49	0	0	0	114
627	I	34.5	Very low	36.9	Very low	160 Å²	160	148.3 Å²	148.3	82%	0.821	76%	0.759	S	S	*	*			trans	-134.9	122.4	158.1	-58.2	-178	0	0	0	110.7	D625	D625-I627 PolarHBondContact O-N 3.32Å
628	I	32.5	Very low	35.4	Very low	150 Å²	150	152.1 Å²	152.1	77%	0.769	78%	0.778	S	S	*	*			trans	-64.9	126.7	-171.1	-68.3	163.6	0	0	0	111.5	N630	I628-N630 PolarHBondContact O-N 2.91Å
629	I	29.6	Very low	33.9	Very low	133 Å²	133	153 Å²	153	68%	0.682	78%	0.784	S	S	*	*			trans	-69.9	113.7	174	-61.4	172.1	0	0	0	108.8
630	N	27.7	Very low	32.5	Very low	138 Å²	138	153.9 Å²	153.9	74%	0.738	80%	0.797	S	S	*	*			trans	-148.5	140.5	156.6	-91.3	-32.7	0	0	0	109.7	I628	I628-N630 PolarHBondContact O-N 2.91Å
631	H	26.8	Very low	31.4	Very low	179 Å²	179	155.9 Å²	155.9	83%	0.829	81%	0.807	S	S	*	*			trans	81.1	82.1	173.5	-79.5	-83	0	0	0	119.3
632	I	29.3	Very low	30.1	Very low	165 Å²	165	156.5 Å²	156.5	85%	0.846	81%	0.81	S	S	*	*			trans	-129.8	95.3	146.6	-58.5	177.9	0	0	0	108.7
633	Y	23.9	Very low	28.9	Very low	228 Å²	228	159.6 Å²	159.6	89%	0.894	82%	0.818	S	S	*	*			trans	-143.7	109.9	156.9	-85	-79	0	0	0	107.4
634	K	28.1	Very low	28	Very low	207 Å²	207	159.1 Å²	159.1	90%	0.9	82%	0.823	S	S	*	*			trans	-153.1	136.4	159.4	-116.7	176	-176.7	179.5	0	110.5
635	E	25.7	Very low	27.6	Very low	188 Å²	188	159.7 Å²	159.7	88%	0.879	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-77	141.7	-152.2	-67.9	152.9	137.2	0	0	114
636	S	26.3	Very low	27	Very low	116 Å²	116	159.4 Å²	159.4	81%	0.811	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-79	116.1	172.9	57.3	0	0	0	0	110.7
637	S	25.3	Very low	26.5	Very low	123 Å²	123	156.9 Å²	156.9	86%	0.86	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.6	140.3	174.3	46.2	0	0	0	0	112.3
638	I	22.5	Very low	25.9	Very low	165 Å²	165	156.6 Å²	156.6	85%	0.846	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.6	122.9	-174.1	-64.5	165.3	0	0	0	108.5
639	Q	24.3	Very low	25.6	Very low	183 Å²	183	156.8 Å²	156.8	86%	0.855	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-102.5	144.6	165.1	-79.6	-171.6	-9.8	0	0	111.2
640	P	25.5	Very low	25.4	Very low	128 Å²	128	158.2 Å²	158.2	83%	0.831	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-89.7	162.7	-165.2	5.8	15.3	0	0	0	113.8
641	L	24.4	Very low	25.3	Very low	151 Å²	151	158.2 Å²	158.2	79%	0.791	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-76	120.3	-165.5	-173.1	81.3	0	0	0	114.4
642	D	25	Very low	25.2	Very low	159 Å²	159	156.1 Å²	156.1	85%	0.85	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-81.7	126.2	163	-86.4	-31.2	0	0	0	111.5	S644	D642-S644 PolarHBondContact O-N 3.34Å
643	K	26.3	Very low	25.1	Very low	198 Å²	198	154 Å²	154	86%	0.861	82%	0.817	S	S	*	*			trans	-89.6	96.4	-179.1	-73.2	175.3	177.8	172.1	0	110.5
644	S	23	Very low	25.2	Very low	106 Å²	106	148.4 Å²	148.4	74%	0.741	81%	0.811	S	S	*	*			trans	-160.6	84.4	159.9	53.3	0	0	0	0	111.2	D642	D642-S644 PolarHBondContact O-N 3.34Å
645	I	26.2	Very low	25.2	Very low	172 Å²	172	144.8 Å²	144.8	88%	0.882	80%	0.801	S	S	*	*			trans	-129.1	100	162	-58.7	-180	0	0	0	107.6
646	T	25.3	Very low	25	Very low	136 Å²	136	143 Å²	143	83%	0.834	80%	0.796	S	S	*	*			trans	-60.2	129.2	171.1	32.9	0	0	0	0	110.2	N648	T646-N648 PolarHBondContact O-N 2.98Å
647	S	23.7	Very low	24.9	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	80%	0.796	S	S	*	*			trans	-72.5	107.1	178.8	52.2	0	0	0	0	110.7
648	N	23.4	Very low	24.8	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	79%	0.793	S	S	*	*			trans	-158.1	94.7	156.1	-91.7	-24.2	0	0	0	107.7	T646	T646-N648 PolarHBondContact O-N 2.98Å
649	N	25.8	Very low	24.9	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	79%	0.792	S	S	*	*			trans	-169.8	93.5	154.1	-91.2	-26	0	0	0	108.5	I651	N649-I651 PolarHBondContact O-N 2.86Å; N649-I651 VanDerWaalsContact O-N 3.12Å
650	I	25	Very low	25	Very low	162 Å²	162	143 Å²	143	83%	0.831	79%	0.788	S	S	*	*			trans	-71.7	96.5	167.3	-62.6	170.2	0	0	0	106.1
651	I	25.6	Very low	25	Very low	139 Å²	139	142.9 Å²	142.9	71%	0.713	79%	0.787	S	S	*	*			trans	-86	117	171.4	-64.6	175.8	0	0	0	107.8	N649 D653	N649-I651 PolarHBondContact O-N 2.86Å; N649-I651 VanDerWaalsContact O-N 3.12Å; I651-D653 PolarHBondContact O-N 3.45Å
652	N	24.2	Very low	25	Very low	135 Å²	135	142.9 Å²	142.9	72%	0.722	79%	0.786	S	S	*	*			trans	-65.5	103.9	175.2	-71.8	-37.4	0	0	0	110.4	S654	N652-S654 VanDerWaalsContact O-N 3.15Å; N652-S654 PolarHBondContact O-N 3.05Å
653	D	28.4	Very low	25	Very low	119 Å²	119	141.8 Å²	141.8	64%	0.636	79%	0.785	S	S	*	*			trans	-78.7	92.1	164.4	-82.5	-17.9	0	0	0	108.3	K592 I651 I655	K592-D653 IonicContact NZ-OD2 3.56Å; I651-D653 PolarHBondContact O-N 3.45Å; D653-I655 PolarHBondContact O-N 3.02Å
654	S	24.8	Very low	24.9	Very low	112 Å²	112	138.1 Å²	138.1	78%	0.783	78%	0.78	S	S	*	*			trans	-74.7	100.7	163.2	53	0	0	0	0	109	N652	N652-S654 VanDerWaalsContact O-N 3.15Å; N652-S654 PolarHBondContact O-N 3.05Å
655	I	28.3	Very low	25	Very low	131 Å²	131	140.9 Å²	140.9	67%	0.672	79%	0.785	S	S	*	*			trans	-109.6	102.5	162.7	-62.8	178.8	0	0	0	107.5	D653 Y657	D653-I655 PolarHBondContact O-N 3.02Å; I655-Y657 HydrophobicContact CG2-CD2 4.33Å; I655-Y657 HydrophobicContact CG2-CE2 4.02Å; I655-Y657 PolarHBondContact O-N 3.4Å
656	L	21.2	Very low	24.9	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	78%	0.778	S	S	*	*			trans	-50.1	114	168.3	-142.3	82	0	0	0	109.2
657	Y	25.9	Very low	24.9	Very low	206 Å²	206	137.9 Å²	137.9	81%	0.808	78%	0.777	S	S	*	*			trans	-107.2	117.3	157.6	-85.8	-82.2	0	0	0	107.2	I655 C659	I655-Y657 HydrophobicContact CG2-CD2 4.33Å; I655-Y657 HydrophobicContact CG2-CE2 4.02Å; I655-Y657 PolarHBondContact O-N 3.4Å; Y657-C659 PolarHBondContact O-N 3.28Å
658	N	23.2	Very low	25	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	78%	0.78	S	S	*	*			trans	-55.5	103.8	177.1	-73	-18.4	0	0	0	110.1
659	C	22.9	Very low	25.2	Very low	123 Å²	123	138.6 Å²	138.6	83%	0.831	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-87.3	118.9	161.8	-80.9	0	0	0	0	108.2	Y657	Y657-C659 PolarHBondContact O-N 3.28Å
660	S	26.3	Very low	25.2	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-57.9	149.2	171.4	-35	0	0	0	0	111
661	P	26.5	Very low	25.4	Very low	126 Å²	126	138.3 Å²	138.3	82%	0.818	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-74.6	145.3	-163	-5.2	21	0	0	0	113.3
662	I	24.7	Very low	25.7	Very low	151 Å²	151	138 Å²	138	77%	0.774	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-58.5	124.2	177.7	-66.3	154.6	0	0	0	111.2	T664	I662-T664 PolarHBondContact O-N 3.41Å
663	T	24.6	Very low	26	Very low	136 Å²	136	137.7 Å²	137.7	83%	0.834	78%	0.775	S	S	*	*			trans	-77.9	106.2	156.8	-10.4	0	0	0	0	108	I665	T663-I665 PolarHBondContact O-N 3.27Å
664	T	24.2	Very low	26.3	Very low	121 Å²	121	138.2 Å²	138.2	74%	0.742	78%	0.778	S	S	*	*			trans	-57.9	111.4	174.3	34.6	0	0	0	0	111.1	I662	I662-T664 PolarHBondContact O-N 3.41Å
665	I	24.3	Very low	26.8	Very low	164 Å²	164	139.8 Å²	139.8	84%	0.841	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-100.8	117.1	160.6	-60.3	175.8	0	0	0	106.6	T663	T663-I665 PolarHBondContact O-N 3.27Å
666	T	25.6	Very low	27.1	Very low	120 Å²	120	138.6 Å²	138.6	74%	0.736	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.9	144	-177.7	40	0	0	0	0	112.4
667	P	24.9	Very low	27.7	Very low	125 Å²	125	137 Å²	137	81%	0.812	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-87.9	132.6	-169.2	17.4	-1.2	0	0	0	112.1
668	I	26.1	Very low	28.1	Very low	161 Å²	161	135.4 Å²	135.4	83%	0.826	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-90	140.3	169	-62.1	171.6	0	0	0	108.1
669	P	27	Very low	28.6	Very low	119 Å²	119	131.8 Å²	131.8	77%	0.773	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-80.9	144.4	-160.4	1.7	14.8	0	0	0	113.9
670	N	26.5	Very low	29.1	Very low	166 Å²	166	131.6 Å²	131.6	89%	0.888	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-49.8	130.5	171.2	-82.1	-31.9	0	0	0	112.9
671	N	27.5	Very low	29.5	Very low	143 Å²	143	133.4 Å²	133.4	77%	0.765	73%	0.732	S	S	*	*			trans	-137.3	124.9	156.9	-133.1	-3.5	0	0	0	111.1
672	N	33	Very low	29.9	Very low	133 Å²	133	131.4 Å²	131.4	71%	0.711	72%	0.718	S	S	*	*			trans	71.1	87.5	157.3	-61.5	-22.4	0	0	0	120
673	N	30.2	Very low	30.3	Very low	129 Å²	129	131 Å²	131	69%	0.69	71%	0.712	S	S	*	*			trans	-89.4	18.5	173.3	-112.9	-8	0	0	0	115.1	N675	N673-N675 PolarHBondContact O-N 2.99Å
674	N	34.5	Very low	30.8	Very low	129 Å²	129	134.5 Å²	134.5	69%	0.69	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-1.5	-171.7	-77.6	-4.7	0	0	0	115.9
675	N	35	Very low	31.4	Very low	145 Å²	145	132.3 Å²	132.3	78%	0.775	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-10.8	-177.9	-72.6	-10.8	0	0	0	114.9	N673	N673-N675 PolarHBondContact O-N 2.99Å
676	I	35	Very low	31.8	Very low	107 Å²	107	131 Å²	131	55%	0.549	69%	0.689	S	S	.	*	S	Bend	trans	-82.1	-23.5	-176.6	-63.5	174.8	0	0	0	112.1	S679	I676-S679 PolarHBondContact O-OG 3.32Å
677	I	33.9	Very low	32.4	Very low	118 Å²	118	131.7 Å²	131.7	61%	0.605	69%	0.688	S	S	*	*	S	Bend	trans	-76.1	-27.1	-175.6	-62.3	177.2	0	0	0	112.1
678	K	33.3	Very low	32.9	Very low	172 Å²	172	134.2 Å²	134.2	75%	0.748	69%	0.688	S	S	*	*	H	α-helix	trans	-74.1	-25.1	-179.5	-84	-175.7	175	179.7	0	114.6
679	S	33.7	Very low	33.3	Very low	71 Å²	71	137.2 Å²	137.2	50%	0.497	69%	0.689	S	S	.	*	H	α-helix	trans	-81	-15.2	-178.9	64.6	0	0	0	0	114	I676 T682	I676-S679 PolarHBondContact O-OG 3.32Å; S679-T682 PolarHBondContact O-OG1 2.85Å
680	I	33.6	Very low	33.4	Very low	118 Å²	118	139.3 Å²	139.3	61%	0.605	69%	0.693	S	S	*	*	H	α-helix	trans	-88.6	-29	-177.8	-63.1	176.4	0	0	0	111.4
681	Q	35.6	Very low	33.7	Very low	147 Å²	147	134 Å²	134	69%	0.687	68%	0.678	S	S	*	*	H	α-helix	trans	-74	-30.7	177.2	-85.9	177.1	-28.4	0	0	113.4	H683 R684	Q681-H683 VanDerWaalsContact C-N 3.29Å; Q681-H683 PolarHBondContact O-N 3.47Å; Q681-R684 PolarHBondContact O-N 3.1Å
682	T	35.4	Very low	33.9	Very low	85 Å²	85	135 Å²	135	52%	0.521	68%	0.683	S	S	.	*	H	α-helix	trans	-69.5	-25.5	177.6	45.6	0	0	0	0	113.4	S679 S685	S679-T682 PolarHBondContact O-OG1 2.85Å; T682-S685 PolarHBondContact O-OG 3.13Å
683	H	33.4	Very low	33.8	Very low	142 Å²	142	134.5 Å²	134.5	66%	0.657	69%	0.69	S	S	*	*	H	α-helix	trans	-80.5	-22.4	179.1	-108.4	-67.3	0	0	0	114	Q681	Q681-H683 VanDerWaalsContact C-N 3.29Å; Q681-H683 PolarHBondContact O-N 3.47Å
684	R	34.1	Very low	33.8	Very low	209 Å²	209	132.9 Å²	132.9	79%	0.789	69%	0.689	S	S	*	*	H	α-helix	trans	-81.9	-33.2	178	-123.2	-179.4	-162.6	179.4	3.5	112.8	Q681 H686 I687	Q681-R684 PolarHBondContact O-N 3.1Å; R684-H686 PolarHBondContact O-N 3.4Å; R684-I687 PolarHBondContact O-N 3.09Å
685	S	37.7	Very low	33.6	Very low	75 Å²	75	133.2 Å²	133.2	52%	0.524	69%	0.691	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-18.2	177.5	58.9	0	0	0	0	113.8	T682	T682-S685 PolarHBondContact O-OG 3.13Å
686	H	32.9	Very low	33.4	Very low	136 Å²	136	133.3 Å²	133.3	63%	0.63	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-18.6	178.2	-95	-71.2	0	0	0	114.3	R684	R684-H686 PolarHBondContact O-N 3.4Å
687	I	36.2	Very low	33.5	Very low	136 Å²	136	136.2 Å²	136.2	70%	0.697	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-26.7	-178	-66.2	178	0	0	0	112	R684 R689	R684-I687 PolarHBondContact O-N 3.09Å; I687-R689 VanDerWaalsContact C-N 3.33Å; I687-R689 PolarHBondContact O-N 3.08Å
688	E	35.5	Very low	33.5	Very low	177 Å²	177	140.6 Å²	140.6	83%	0.827	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-6.7	176.7	-79.4	179	174	0	0	114.4
689	R	35	Very low	33.6	Very low	225 Å²	225	139.1 Å²	139.1	85%	0.849	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	4.8	-178.8	-137.3	177.5	-169.8	163.4	2.9	115.3	I687	I687-R689 VanDerWaalsContact C-N 3.33Å; I687-R689 PolarHBondContact O-N 3.08Å
690	L	30.5	Very low	33.5	Very low	162 Å²	162	142.6 Å²	142.6	85%	0.848	75%	0.75	S	S	*	*	S	Bend	trans	-111.9	14.2	-177.7	-76.8	167.7	0	0	0	114.4
691	G	32.6	Very low	33.5	Very low	55 Å²	55	144 Å²	144	57%	0.567	76%	0.758	S	S	*	*	S	Bend	trans	-121.7	83.1	168.9	0	0	0	0	0	109.8
692	N	30.6	Very low	33.4	Very low	165 Å²	165	143.8 Å²	143.8	88%	0.882	76%	0.762	S	S	*	*			trans	162.8	77.5	156.6	-82.3	-9.8	0	0	0	108.4
693	S	31	Very low	33.3	Very low	121 Å²	121	147.5 Å²	147.5	85%	0.846	78%	0.777	S	S	*	*			trans	-148.2	53	162.9	-172.2	0	0	0	0	108.2
694	S	31	Very low	33.3	Very low	95 Å²	95	147.9 Å²	147.9	66%	0.664	79%	0.785	S	S	*	*			trans	-85.8	123.7	148.7	49	0	0	0	0	105.7
695	D	30.7	Very low	33.2	Very low	137 Å²	137	143.5 Å²	143.5	73%	0.733	79%	0.785	S	S	*	*			trans	135.3	128.9	156.7	-63.1	-17.5	0	0	0	111.7
696	D	30.8	Very low	32.9	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	81%	0.805	S	S	*	*			trans	74.4	106.2	163.6	-52.3	-24.7	0	0	0	118.2
697	I	36.3	Very low	32.9	Very low	167 Å²	167	149.8 Å²	149.8	86%	0.856	82%	0.82	S	S	*	*				-168.4	132.9	99.4	-83.3	148.2	0	0	0	108.8
698	V	34.7	Very low	32.6	Very low	211 Å²	211	151.1 Å²	151.1	100%	1.279	83%	0.831	S	S	*	*			trans	-43.8	0	172.9	173.9	0	0	0	0	114.5

Retrieved 698 of 698 residues in 154.8 ms (Link to these results)

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