A0A087XAJ3_POEFO Loading...

Exocyst complex component 8

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087XAJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 685 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	58.3	Low	219 Å²	219	107.5 Å²	107.5	100%	1.079	55%	0.545	S	S	*	.				0	-19.7	0	-75.4	-159.7	-95.8	0	0	114.6	T4	M1-T4 PolarHBondContact O-OG1 3.32Å
2	S	45.9	Very low	59.5	Low	96 Å²	96	103.3 Å²	103.3	67%	0.671	53%	0.525	S	S	*	.	H	α-helix	trans	-72.7	-33	179.7	50.3	0	0	0	0	114.7	T4 N6	S2-T4 PolarHBondContact O-N 3.04Å; S2-N6 PolarHBondContact O-N 3.28Å
3	E	43.3	Very low	60.6	Low	139 Å²	139	105.2 Å²	105.2	65%	0.65	53%	0.531	S	S	*	.	H	α-helix	trans	-65.6	-37.9	-178.9	-66.3	-166.5	123.2	0	0	113.7	N6 R7	E3-N6 PolarHBondContact O-N 3.47Å; E3-R7 WeakPolarHBondContact O-CG 3.14Å; E3-R7 PolarHBondContact O-N 2.92Å
4	T	50.7	Low	61.8	Low	97 Å²	97	101.2 Å²	101.2	60%	0.595	52%	0.517	S	S	*	.	H	α-helix	trans	-70.3	-38.6	-178.9	42.6	0	0	0	0	112.2	M1 S2 R7 L8	M1-T4 PolarHBondContact O-OG1 3.32Å; S2-T4 PolarHBondContact O-N 3.04Å; T4-R7 PolarHBondContact O-N 3.47Å; T4-L8 PolarHBondContact O-N 3.12Å
5	G	56.3	Low	62.3	Low	32 Å²	32	103.1 Å²	103.1	33%	0.33	54%	0.539	S	S	.	.	H	α-helix	trans	-62.7	-41.9	173	0	0	0	0	0	112.8	R7 L8 R9	G5-R7 PolarHBondContact O-N 3.1Å; G5-L8 PolarHBondContact O-N 3.4Å; G5-R9 PolarHBondContact O-N 3.26Å
6	N	59.4	Low	63.1	Low	94 Å²	94	106.3 Å²	106.3	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-67.6	-32.9	176.6	-80.7	-22.4	0	0	0	113.3	S2 E3 K10	S2-N6 PolarHBondContact O-N 3.28Å; E3-N6 PolarHBondContact O-N 3.47Å; N6-K10 WeakPolarHBondContact O-CB 3.4Å; N6-K10 WeakPolarHBondContact O-CG 3.43Å; N6-K10 PolarHBondContact O-N 3.33Å; N6-K10 VanDerWaalsContact O-N 3.16Å
7	R	64.8	Low	64.1	Low	176 Å²	176	103.5 Å²	103.5	66%	0.664	54%	0.539	S	S	*	.	H	α-helix	trans	-67.5	-42	172	-72.1	-179.9	-170.4	-170	4.8	111.6	E3 T4 G5 K10 L11	E3-R7 WeakPolarHBondContact O-CG 3.14Å; E3-R7 PolarHBondContact O-N 2.92Å; T4-R7 PolarHBondContact O-N 3.47Å; G5-R7 PolarHBondContact O-N 3.1Å; R7-K10 PolarHBondContact O-N 3.38Å; R7-L11 PolarHBondContact O-N 2.81Å
8	L	69.8	Low	65	Low	29 Å²	29	101.6 Å²	101.6	15%	0.152	53%	0.529	C	S	.	.	H	α-helix	trans	-61.4	-48.6	176.9	-163.1	97.2	0	0	0	111.6	T4 G5 K10 L11 L12 Y22 I43	T4-L8 PolarHBondContact O-N 3.12Å; G5-L8 PolarHBondContact O-N 3.4Å; L8-K10 PolarHBondContact O-N 3.32Å; L8-L11 PolarHBondContact O-N 2.8Å; L8-L12 HydrophobicContact CD2-CD1 4.15Å; L8-L12 HydrophobicContact CG-CD1 4.18Å; L8-L12 WeakPolarHBondContact O-CG 3.42Å; L8-L12 PolarHBondContact O-N 3.43Å; L8-L12 VanDerWaalsContact O-N 3.1Å; L8-Y22 VanDerWaalsContact CD1-OH 3.29Å; L8-Y22 WeakPolarHBondContact CD1-OH 3.29Å; L8-I43 HydrophobicContact CD2-CG1 4.11Å
9	R	69.6	Low	65.6	Low	54 Å²	54	100.1 Å²	100.1	20%	0.204	53%	0.527	C	S	.	.	H	α-helix	trans	-56.6	-49.7	176.9	177.7	173.1	-93.8	153.4	-2.9	111.3	G5 L11 L12 E13 L46 E49	G5-R9 PolarHBondContact O-N 3.26Å; R9-L11 VanDerWaalsContact C-N 3.3Å; R9-L11 PolarHBondContact O-N 2.86Å; R9-L12 PolarHBondContact O-N 3.27Å; R9-E13 WeakPolarHBondContact CD-OE1 3.25Å; R9-E13 VanDerWaalsContact CG-CD 3.44Å; R9-E13 HydrophobicContact CG-CG 4.36Å; R9-E13 WeakPolarHBondContact CG-OE1 3.44Å; R9-E13 IonicContact NE-OE1 3.07Å; R9-E13 WeakPolarHBondContact O-CB 3.21Å; R9-E13 VanDerWaalsContact O-CG 3.29Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 3Å; R9-L46 HydrophobicContact CB-CD1 4.47Å; R9-L46 HydrophobicContact CB-CD2 4.24Å; R9-E49 IonicContact CZ-OE1 3.4Å; R9-E49 IonicContact NH1-OE1 2.76Å; R9-E49 PolarHBondContact NH1-OE1 2.82Å; R9-E49 IonicContact NH2-OE1 3.53Å; R9-E49 PolarHBondContact NH2-OE1 2.92Å; R9-E49 IonicContact NH2-OE2 3.7Å
10	K	70.8	Confident	66.3	Low	157 Å²	157	103.2 Å²	103.2	68%	0.683	54%	0.538	S	S	*	.	H	α-helix	trans	-62.6	-29.9	177.2	-76	-176.4	175.3	-171.9	0	114.6	N6 R7 L8	N6-K10 WeakPolarHBondContact O-CB 3.4Å; N6-K10 WeakPolarHBondContact O-CG 3.43Å; N6-K10 PolarHBondContact O-N 3.33Å; N6-K10 VanDerWaalsContact O-N 3.16Å; R7-K10 PolarHBondContact O-N 3.38Å; L8-K10 PolarHBondContact O-N 3.32Å
11	L	71.9	Confident	66.8	Low	89 Å²	89	101.7 Å²	101.7	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-72.8	-43.3	177.5	-151.3	94	0	0	0	111	R7 L8 R9 S14 F17 Y22	R7-L11 PolarHBondContact O-N 2.81Å; L8-L11 PolarHBondContact O-N 2.8Å; R9-L11 VanDerWaalsContact C-N 3.3Å; R9-L11 PolarHBondContact O-N 2.86Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 3.21Å; L11-S14 PolarHBondContact O-OG 3.14Å; L11-F17 HydrophobicContact CD2-CE2 4.45Å; L11-Y22 HydrophobicContact CD2-CD2 3.76Å; L11-Y22 HydrophobicContact CD2-CE2 3.5Å; L11-Y22 VanDerWaalsContact CD2-CE2 3.5Å
12	L	72.4	Confident	68.7	Low	57 Å²	57	92.8 Å²	92.8	30%	0.298	49%	0.491	S	S	.	.	H	α-helix	trans	-71.3	-29.4	178.7	-66.3	169.3	0	0	0	113.1	L8 R9 S14 F17 L46	L8-L12 HydrophobicContact CD2-CD1 4.15Å; L8-L12 HydrophobicContact CG-CD1 4.18Å; L8-L12 WeakPolarHBondContact O-CG 3.42Å; L8-L12 PolarHBondContact O-N 3.43Å; L8-L12 VanDerWaalsContact O-N 3.1Å; R9-L12 PolarHBondContact O-N 3.27Å; L12-S14 PolarHBondContact O-N 2.9Å; L12-F17 HydrophobicContact CD2-CE1 3.92Å; L12-F17 HydrophobicContact CD2-CE2 3.89Å; L12-F17 HydrophobicContact CD2-CZ 3.52Å; L12-L46 HydrophobicContact CD1-CD2 4.06Å
13	E	73.6	Confident	70.3	Confident	129 Å²	129	92.5 Å²	92.5	60%	0.603	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.8	175.6	-72.4	168.3	174.6	0	0	113.4	R9	R9-E13 WeakPolarHBondContact CD-OE1 3.25Å; R9-E13 VanDerWaalsContact CG-CD 3.44Å; R9-E13 HydrophobicContact CG-CG 4.36Å; R9-E13 WeakPolarHBondContact CG-OE1 3.44Å; R9-E13 IonicContact NE-OE1 3.07Å; R9-E13 WeakPolarHBondContact O-CB 3.21Å; R9-E13 VanDerWaalsContact O-CG 3.29Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 3Å
14	S	78.1	Confident	72	Confident	49 Å²	49	92.3 Å²	92.3	34%	0.343	48%	0.482	S	S	.	.			trans	-77.7	136.5	-178.4	72.1	0	0	0	0	112.3	L11 L12 N16 F17	L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 3.21Å; L11-S14 PolarHBondContact O-OG 3.14Å; L12-S14 PolarHBondContact O-N 2.9Å; S14-N16 PolarHBondContact O-N 2.95Å; S14-N16 VanDerWaalsContact O-N 3.16Å; S14-F17 WeakPolarHBondContact O-CB 3.45Å; S14-F17 PolarHBondContact O-N 3.06Å
15	P	69.1	Low	73.2	Confident	130 Å²	130	92.8 Å²	92.8	84%	0.844	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.6	-172.3	27.4	-35.7	0	0	0	114.5
16	N	74.2	Confident	74.1	Confident	154 Å²	154	92.7 Å²	92.7	82%	0.824	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	24	179.1	-66	-6.1	0	0	0	112.2	S14 D18	S14-N16 PolarHBondContact O-N 2.95Å; S14-N16 VanDerWaalsContact O-N 3.16Å; N16-D18 PolarHBondContact O-N 3.47Å
17	F	80.9	Confident	74.7	Confident	58 Å²	58	91.3 Å²	91.3	25%	0.254	47%	0.467	S	S	.	.			trans	-70.6	119.7	-179	-179.6	-101.4	0	0	0	112	L11 L12 S14 P19 Y22	L11-F17 HydrophobicContact CD2-CE2 4.45Å; L12-F17 HydrophobicContact CD2-CE1 3.92Å; L12-F17 HydrophobicContact CD2-CE2 3.89Å; L12-F17 HydrophobicContact CD2-CZ 3.52Å; S14-F17 WeakPolarHBondContact O-CB 3.45Å; S14-F17 PolarHBondContact O-N 3.06Å; F17-P19 HydrophobicContact CD1-CG 4.11Å; F17-P19 HydrophobicContact CE1-CB 4.1Å; F17-P19 HydrophobicContact CE1-CG 3.86Å; F17-P19 WeakPolarHBondContact O-CD 3.43Å; F17-Y22 HydrophobicContact CE2-CD1 4.09Å; F17-Y22 AromaticContact CE2-CD2 3.85Å; F17-Y22 HydrophobicContact CE2-CD2 3.85Å; F17-Y22 AromaticContact CE2-CG 3.6Å; F17-Y22 HydrophobicContact CE2-CG 3.6Å; F17-Y22 AromaticContact CZ-CD1 3.67Å; F17-Y22 HydrophobicContact CZ-CD1 3.67Å; F17-Y22 HydrophobicContact CZ-CD2 4.28Å; F17-Y22 HydrophobicContact CZ-CE1 4.39Å; F17-Y22 AromaticContact CZ-CG 3.59Å; F17-Y22 HydrophobicContact CZ-CG 3.59Å
18	D	79.4	Confident	75.2	Confident	69 Å²	69	89.7 Å²	89.7	37%	0.369	47%	0.467	S	S	.	.			trans	-98.6	112.1	168.7	172.2	25.3	0	0	0	111.1	N16 Q20 S21 Y22	N16-D18 PolarHBondContact O-N 3.47Å; D18-Q20 VanDerWaalsContact C-N 3.27Å; D18-Q20 PolarHBondContact O-N 3.01Å; D18-Q20 PolarHBondContact OD1-N 2.93Å; D18-S21 WeakPolarHBondContact OD2-CB 3.46Å; D18-S21 PolarHBondContact OD2-N 3.18Å; D18-S21 PolarHBondContact OD2-OG 2.78Å; D18-Y22 WeakPolarHBondContact O-CB 3.37Å; D18-Y22 PolarHBondContact O-N 3.24Å; D18-Y22 VanDerWaalsContact O-N 3.12Å
19	P	77.8	Confident	75.2	Confident	74 Å²	74	95.1 Å²	95.1	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-60.1	-32.6	176.6	-21.5	32.3	0	0	0	114	F17 V23	F17-P19 HydrophobicContact CD1-CG 4.11Å; F17-P19 HydrophobicContact CE1-CB 4.1Å; F17-P19 HydrophobicContact CE1-CG 3.86Å; F17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-V23 WeakPolarHBondContact O-CG2 3.36Å; P19-V23 PolarHBondContact O-N 2.87Å
20	Q	79.1	Confident	75.2	Confident	161 Å²	161	93.6 Å²	93.6	75%	0.752	49%	0.49	S	S	*	.	H	α-helix	trans	-74.9	-47.7	-173.7	-63.9	-174.1	-1.6	0	0	111.3	D18 Y22 K24	D18-Q20 VanDerWaalsContact C-N 3.27Å; D18-Q20 PolarHBondContact O-N 3.01Å; D18-Q20 PolarHBondContact OD1-N 2.93Å; Q20-Y22 VanDerWaalsContact C-N 3.3Å; Q20-Y22 PolarHBondContact O-N 3.37Å; Q20-K24 WeakPolarHBondContact O-CB 3.25Å; Q20-K24 PolarHBondContact O-N 3.25Å
21	S	76.9	Confident	74.9	Confident	72 Å²	72	94.5 Å²	94.5	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-39.2	172	-63	0	0	0	0	111.9	D18 K24 Q25	D18-S21 WeakPolarHBondContact OD2-CB 3.46Å; D18-S21 PolarHBondContact OD2-N 3.18Å; D18-S21 PolarHBondContact OD2-OG 2.78Å; S21-K24 PolarHBondContact O-N 3.17Å; S21-Q25 WeakPolarHBondContact O-CB 3.29Å; S21-Q25 PolarHBondContact O-N 2.73Å
22	Y	79.3	Confident	74.9	Confident	33 Å²	33	91.7 Å²	91.7	13%	0.129	50%	0.495	C	S	.	.	H	α-helix	trans	-63	-48.7	178.2	179.8	-105	0	0	0	112.9	L8 L11 F17 D18 Q20 K24 Q25 L26 I43	L8-Y22 VanDerWaalsContact CD1-OH 3.29Å; L8-Y22 WeakPolarHBondContact CD1-OH 3.29Å; L11-Y22 HydrophobicContact CD2-CD2 3.76Å; L11-Y22 HydrophobicContact CD2-CE2 3.5Å; L11-Y22 VanDerWaalsContact CD2-CE2 3.5Å; F17-Y22 HydrophobicContact CE2-CD1 4.09Å; F17-Y22 AromaticContact CE2-CD2 3.85Å; F17-Y22 HydrophobicContact CE2-CD2 3.85Å; F17-Y22 AromaticContact CE2-CG 3.6Å; F17-Y22 HydrophobicContact CE2-CG 3.6Å; F17-Y22 AromaticContact CZ-CD1 3.67Å; F17-Y22 HydrophobicContact CZ-CD1 3.67Å; F17-Y22 HydrophobicContact CZ-CD2 4.28Å; F17-Y22 HydrophobicContact CZ-CE1 4.39Å; F17-Y22 AromaticContact CZ-CG 3.59Å; F17-Y22 HydrophobicContact CZ-CG 3.59Å; D18-Y22 WeakPolarHBondContact O-CB 3.37Å; D18-Y22 PolarHBondContact O-N 3.24Å; D18-Y22 VanDerWaalsContact O-N 3.12Å; Q20-Y22 VanDerWaalsContact C-N 3.3Å; Q20-Y22 PolarHBondContact O-N 3.37Å; Y22-K24 VanDerWaalsContact C-N 3.32Å; Y22-K24 PolarHBondContact O-N 2.75Å; Y22-Q25 PolarHBondContact O-N 3.14Å; Y22-L26 WeakPolarHBondContact O-CB 3.48Å; Y22-L26 PolarHBondContact O-N 3.08Å; Y22-I43 HydrophobicContact CE1-CD1 4.5Å
23	V	78.7	Confident	75	Confident	90 Å²	90	94.8 Å²	94.8	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-38.2	177.6	171.9	0	0	0	0	111.3	P19 L26 S27	P19-V23 WeakPolarHBondContact O-CG2 3.36Å; P19-V23 PolarHBondContact O-N 2.87Å; V23-L26 PolarHBondContact O-N 3.09Å; V23-S27 PolarHBondContact O-N 3.1Å; V23-S27 PolarHBondContact O-OG 3.27Å
24	K	78.4	Confident	75.1	Confident	135 Å²	135	97.1 Å²	97.1	59%	0.587	52%	0.515	S	S	*	.	H	α-helix	trans	-64.8	-39.1	176.3	-172.1	178.2	-178.1	-178.8	0	112.5	Q20 S21 Y22 S27 Q28	Q20-K24 WeakPolarHBondContact O-CB 3.25Å; Q20-K24 PolarHBondContact O-N 3.25Å; S21-K24 PolarHBondContact O-N 3.17Å; Y22-K24 VanDerWaalsContact C-N 3.32Å; Y22-K24 PolarHBondContact O-N 2.75Å; K24-S27 PolarHBondContact O-OG 2.82Å; K24-S27 VanDerWaalsContact O-OG 3.13Å; K24-Q28 WeakPolarHBondContact O-CB 3.42Å; K24-Q28 VanDerWaalsContact O-CG 3.27Å; K24-Q28 WeakPolarHBondContact O-CG 3.2Å; K24-Q28 PolarHBondContact O-N 2.91Å
25	Q	76.9	Confident	74.8	Confident	106 Å²	106	97.9 Å²	97.9	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-68.3	-41.2	174.2	-172.3	175	10.3	0	0	111.3	S21 Y22 S27 Q28 Q29	S21-Q25 WeakPolarHBondContact O-CB 3.29Å; S21-Q25 PolarHBondContact O-N 2.73Å; Y22-Q25 PolarHBondContact O-N 3.14Å; Q25-S27 PolarHBondContact O-N 2.79Å; Q25-Q28 PolarHBondContact O-N 3.06Å; Q25-Q29 WeakPolarHBondContact O-CG 3.44Å; Q25-Q29 PolarHBondContact O-N 2.98Å
26	L	75.2	Confident	75.2	Confident	30 Å²	30	94.4 Å²	94.4	16%	0.157	49%	0.489	C	S	.	.	H	α-helix	trans	-61.3	-43.8	176.6	-163.3	80.6	0	0	0	111.7	Y22 V23 Q28 Q29 S30 L36 H39	Y22-L26 WeakPolarHBondContact O-CB 3.48Å; Y22-L26 PolarHBondContact O-N 3.08Å; V23-L26 PolarHBondContact O-N 3.09Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 2.8Å; L26-Q29 PolarHBondContact O-N 3.43Å; L26-S30 WeakPolarHBondContact O-CB 3.47Å; L26-S30 PolarHBondContact O-N 3.03Å; L26-S30 PolarHBondContact O-OG 3.15Å; L26-L36 HydrophobicContact CD2-CD2 3.99Å; L26-L36 HydrophobicContact CG-CD2 4.16Å; L26-H39 HydrophobicContact CD2-CB 4.21Å
27	S	72.1	Confident	75.5	Confident	66 Å²	66	92.8 Å²	92.8	46%	0.462	48%	0.476	S	S	.	.	H	α-helix	trans	-71.9	-21.1	177.9	72.6	0	0	0	0	113.8	V23 K24 Q25	V23-S27 PolarHBondContact O-N 3.1Å; V23-S27 PolarHBondContact O-OG 3.27Å; K24-S27 PolarHBondContact O-OG 2.82Å; K24-S27 VanDerWaalsContact O-OG 3.13Å; Q25-S27 PolarHBondContact O-N 2.79Å
28	Q	75.6	Confident	75.5	Confident	141 Å²	141	94.3 Å²	94.3	66%	0.659	48%	0.484	S	S	*	.	H	α-helix	trans	-82.6	-17.9	173.8	-77.7	178.1	-13.5	0	0	113.3	K24 Q25 L26	K24-Q28 WeakPolarHBondContact O-CB 3.42Å; K24-Q28 VanDerWaalsContact O-CG 3.27Å; K24-Q28 WeakPolarHBondContact O-CG 3.2Å; K24-Q28 PolarHBondContact O-N 2.91Å; Q25-Q28 PolarHBondContact O-N 3.06Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 2.8Å
29	Q	70.2	Confident	75.4	Confident	143 Å²	143	93.9 Å²	93.9	67%	0.668	48%	0.48	S	S	*	.	H	α-helix	trans	-104.8	-4.5	-179.1	-69.7	-176.2	-16.3	0	0	113.7	Q25 L26	Q25-Q29 WeakPolarHBondContact O-CG 3.44Å; Q25-Q29 PolarHBondContact O-N 2.98Å; L26-Q29 PolarHBondContact O-N 3.43Å
30	S	68.9	Low	75.6	Confident	23 Å²	23	99.5 Å²	99.5	16%	0.161	49%	0.491	C	S	.	.			trans	-110.9	106.5	-175.4	-52.8	0	0	0	0	110.7	L26 G32	L26-S30 WeakPolarHBondContact O-CB 3.47Å; L26-S30 PolarHBondContact O-N 3.03Å; L26-S30 PolarHBondContact O-OG 3.15Å; S30-G32 PolarHBondContact O-N 3.45Å
31	D	63.4	Low	75.8	Confident	176 Å²	176	96.9 Å²	96.9	94%	0.941	48%	0.479	S	S	*	.	S	Bend	trans	-77	7.4	-178.6	-75.1	-34.7	0	0	0	114.3
32	G	72.7	Confident	76.1	Confident	30 Å²	30	98 Å²	98	31%	0.309	48%	0.475	S	S	.	.	S	Bend	trans	-162.4	149.2	179.9	0	0	0	0	0	115.8	S30 R34 D35	S30-G32 PolarHBondContact O-N 3.45Å; G32-R34 PolarHBondContact O-N 3.3Å; G32-D35 PolarHBondContact O-N 2.92Å; G32-D35 VanDerWaalsContact O-N 3.15Å
33	D	74	Confident	76.3	Confident	121 Å²	121	99.2 Å²	99.2	65%	0.647	48%	0.483	S	S	*	.	H	α-helix	trans	-55	-37.4	179.3	-172.4	44.1	0	0	0	112.9	D35 L36 Q37	D33-D35 VanDerWaalsContact C-N 3.32Å; D33-D35 PolarHBondContact O-N 3.14Å; D33-L36 PolarHBondContact O-N 2.88Å; D33-Q37 WeakPolarHBondContact O-CB 3.21Å; D33-Q37 PolarHBondContact O-N 3.46Å
34	R	75.3	Confident	76.6	Confident	179 Å²	179	99.3 Å²	99.3	68%	0.675	48%	0.478	S	S	*	.	H	α-helix	trans	-59.2	-40.3	178.6	-165.6	-171.5	69	-170.5	-1.7	112.8	G32 Q37 E38	G32-R34 PolarHBondContact O-N 3.3Å; R34-Q37 PolarHBondContact O-N 3.37Å; R34-E38 PolarHBondContact O-N 3.43Å
35	D	73.8	Confident	77	Confident	64 Å²	64	97 Å²	97	34%	0.342	47%	0.471	S	S	.	.	H	α-helix	trans	-76.9	-34.5	-174.7	-63.9	-7.2	0	0	0	110.8	G32 D33 E38 H39	G32-D35 PolarHBondContact O-N 2.92Å; G32-D35 VanDerWaalsContact O-N 3.15Å; D33-D35 VanDerWaalsContact C-N 3.32Å; D33-D35 PolarHBondContact O-N 3.14Å; D35-E38 PolarHBondContact O-N 2.8Å; D35-H39 WeakPolarHBondContact O-CB 3.44Å; D35-H39 PolarHBondContact O-CD2 3.45Å; D35-H39 PolarHBondContact O-N 3Å
36	L	77.1	Confident	77.4	Confident	57 Å²	57	93.3 Å²	93.3	30%	0.298	46%	0.455	S	S	.	.	H	α-helix	trans	-62.6	-41.6	168.1	-71.6	170.2	0	0	0	111.6	L26 D33 H39 R40	L26-L36 HydrophobicContact CD2-CD2 3.99Å; L26-L36 HydrophobicContact CG-CD2 4.16Å; D33-L36 PolarHBondContact O-N 2.88Å; L36-H39 PolarHBondContact O-N 2.63Å; L36-R40 WeakPolarHBondContact O-CB 3.45Å; L36-R40 PolarHBondContact O-N 3.21Å
37	Q	79.3	Confident	77.8	Confident	120 Å²	120	94 Å²	94	56%	0.561	47%	0.465	S	S	*	.	H	α-helix	trans	-69.8	-37.2	179	-165.5	153.7	-5.5	0	0	112.3	D33 R34 R40 Q41	D33-Q37 WeakPolarHBondContact O-CB 3.21Å; D33-Q37 PolarHBondContact O-N 3.46Å; R34-Q37 PolarHBondContact O-N 3.37Å; Q37-R40 PolarHBondContact O-N 2.67Å; Q37-Q41 PolarHBondContact O-N 2.84Å
38	E	80.8	Confident	78.6	Confident	90 Å²	90	94.4 Å²	94.4	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-62.7	-43.7	168.4	-83.3	-164.1	-153.5	0	0	112.8	R34 D35 Q41 K42	R34-E38 PolarHBondContact O-N 3.43Å; D35-E38 PolarHBondContact O-N 2.8Å; E38-Q41 PolarHBondContact O-N 3.34Å; E38-K42 WeakPolarHBondContact O-CD 3.2Å; E38-K42 VanDerWaalsContact O-CG 3.26Å; E38-K42 WeakPolarHBondContact O-CG 3.5Å; E38-K42 PolarHBondContact O-N 3.44Å; E38-K42 IonicContact OE2-NZ 3.19Å; E38-K42 PolarHBondContact OE2-NZ 2.78Å
39	H	78.3	Confident	79.1	Confident	61 Å²	61	91.7 Å²	91.7	28%	0.282	45%	0.45	S	S	.	.	H	α-helix	trans	-65.1	-40	177.1	-95.7	-93.4	0	0	0	112.1	L26 D35 L36 Q41 K42 I43	L26-H39 HydrophobicContact CD2-CB 4.21Å; D35-H39 WeakPolarHBondContact O-CB 3.44Å; D35-H39 PolarHBondContact O-CD2 3.45Å; D35-H39 PolarHBondContact O-N 3Å; L36-H39 PolarHBondContact O-N 2.63Å; H39-Q41 PolarHBondContact O-N 2.75Å; H39-K42 PolarHBondContact O-N 2.85Å; H39-I43 WeakPolarHBondContact O-CG1 3.17Å; H39-I43 PolarHBondContact O-N 2.7Å
40	R	82	Confident	79.6	Confident	191 Å²	191	87.6 Å²	87.6	72%	0.721	43%	0.434	S	S	*	.	H	α-helix	trans	-59	-45	171.5	-178.3	179.3	175.2	-177.4	-1.3	111.4	L36 Q37 I43 Q44	L36-R40 WeakPolarHBondContact O-CB 3.45Å; L36-R40 PolarHBondContact O-N 3.21Å; Q37-R40 PolarHBondContact O-N 2.67Å; R40-I43 PolarHBondContact O-N 2.83Å; R40-Q44 WeakPolarHBondContact O-CB 3.25Å; R40-Q44 PolarHBondContact O-N 3.22Å
41	Q	84.1	Confident	80.4	Confident	106 Å²	106	89.3 Å²	89.3	50%	0.495	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-38.4	177.3	-167.1	63.8	50.4	0	0	112.2	Q37 E38 H39 Q44 N45	Q37-Q41 PolarHBondContact O-N 2.84Å; E38-Q41 PolarHBondContact O-N 3.34Å; H39-Q41 PolarHBondContact O-N 2.75Å; Q41-Q44 PolarHBondContact O-N 3.05Å; Q41-N45 PolarHBondContact NE2-OD1 2.88Å; Q41-N45 WeakPolarHBondContact O-CB 3.47Å; Q41-N45 PolarHBondContact O-N 2.76Å; Q41-N45 PolarHBondContact O-OD1 2.81Å
42	K	82.1	Confident	81.4	Confident	95 Å²	95	87.8 Å²	87.8	41%	0.413	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-41.7	174.8	-70.6	159.1	-167	158.6	0	111.6	E38 H39 L46	E38-K42 WeakPolarHBondContact O-CD 3.2Å; E38-K42 VanDerWaalsContact O-CG 3.26Å; E38-K42 WeakPolarHBondContact O-CG 3.5Å; E38-K42 PolarHBondContact O-N 3.44Å; E38-K42 IonicContact OE2-NZ 3.19Å; E38-K42 PolarHBondContact OE2-NZ 2.78Å; H39-K42 PolarHBondContact O-N 2.85Å; K42-L46 WeakPolarHBondContact O-CB 3.34Å; K42-L46 PolarHBondContact O-N 2.82Å; K42-L46 VanDerWaalsContact O-N 3.08Å
43	I	82.7	Confident	81.9	Confident	59 Å²	59	89.7 Å²	89.7	30%	0.303	44%	0.44	S	S	.	.	H	α-helix	trans	-66.7	-44.4	175.2	-67.9	165.4	0	0	0	111	L8 Y22 H39 R40 L46 A47	L8-I43 HydrophobicContact CD2-CG1 4.11Å; Y22-I43 HydrophobicContact CE1-CD1 4.5Å; H39-I43 WeakPolarHBondContact O-CG1 3.17Å; H39-I43 PolarHBondContact O-N 2.7Å; R40-I43 PolarHBondContact O-N 2.83Å; I43-L46 PolarHBondContact O-N 2.85Å; I43-A47 WeakPolarHBondContact O-CB 3.45Å; I43-A47 PolarHBondContact O-N 3.4Å
44	Q	86.3	Confident	82.3	Confident	92 Å²	92	89.5 Å²	89.5	43%	0.43	44%	0.438	S	S	.	.	H	α-helix	trans	-59.8	-49.5	177.5	-175.8	59.5	50.9	0	0	111.4	R40 Q41 L46 A47 D48	R40-Q44 WeakPolarHBondContact O-CB 3.25Å; R40-Q44 PolarHBondContact O-N 3.22Å; Q41-Q44 PolarHBondContact O-N 3.05Å; Q44-L46 VanDerWaalsContact C-N 3.28Å; Q44-L46 PolarHBondContact O-N 2.86Å; Q44-A47 WeakPolarHBondContact O-CB 3.22Å; Q44-A47 PolarHBondContact O-N 3.44Å; Q44-A47 VanDerWaalsContact O-N 3.1Å; Q44-D48 PolarHBondContact NE2-OD1 2.88Å; Q44-D48 VanDerWaalsContact NE2-OD1 3.1Å; Q44-D48 PolarHBondContact NE2-OD2 3.23Å; Q44-D48 PolarHBondContact O-N 3.02Å
45	N	86.6	Confident	82.7	Confident	86 Å²	86	87.1 Å²	87.1	46%	0.46	43%	0.433	S	S	.	.	H	α-helix	trans	-59	-39.4	176.7	-67.3	1	0	0	0	111.9	Q41 D48 E49	Q41-N45 PolarHBondContact NE2-OD1 2.88Å; Q41-N45 WeakPolarHBondContact O-CB 3.47Å; Q41-N45 PolarHBondContact O-N 2.76Å; Q41-N45 PolarHBondContact O-OD1 2.81Å; N45-D48 PolarHBondContact O-N 2.79Å; N45-E49 WeakPolarHBondContact O-CB 3.1Å; N45-E49 PolarHBondContact O-N 2.84Å
46	L	84.4	Confident	83.1	Confident	29 Å²	29	91.2 Å²	91.2	15%	0.152	45%	0.448	C	S	.	.	H	α-helix	trans	-67	-38.3	176.8	-161.2	95.4	0	0	0	111.8	R9 L12 K42 I43 Q44 E49 T50	R9-L46 HydrophobicContact CB-CD1 4.47Å; R9-L46 HydrophobicContact CB-CD2 4.24Å; L12-L46 HydrophobicContact CD1-CD2 4.06Å; K42-L46 WeakPolarHBondContact O-CB 3.34Å; K42-L46 PolarHBondContact O-N 2.82Å; K42-L46 VanDerWaalsContact O-N 3.08Å; I43-L46 PolarHBondContact O-N 2.85Å; Q44-L46 VanDerWaalsContact C-N 3.28Å; Q44-L46 PolarHBondContact O-N 2.86Å; L46-E49 PolarHBondContact O-N 2.89Å; L46-T50 WeakPolarHBondContact O-CG2 3.21Å; L46-T50 PolarHBondContact O-N 3.2Å; L46-T50 PolarHBondContact O-OG1 3.44Å; L46-T50 VanDerWaalsContact O-OG1 3.13Å
47	A	84.3	Confident	83.2	Confident	44 Å²	44	93.1 Å²	93.1	36%	0.364	46%	0.458	S	S	.	.	H	α-helix	trans	-67.8	-39.9	176.2	0	0	0	0	0	112.1	I43 Q44 T50 A51	I43-A47 WeakPolarHBondContact O-CB 3.45Å; I43-A47 PolarHBondContact O-N 3.4Å; Q44-A47 WeakPolarHBondContact O-CB 3.22Å; Q44-A47 PolarHBondContact O-N 3.44Å; Q44-A47 VanDerWaalsContact O-N 3.1Å; A47-T50 WeakPolarHBondContact CA-OG1 3.42Å; A47-T50 PolarHBondContact O-N 2.81Å; A47-T50 PolarHBondContact O-OG1 3.32Å; A47-T50 VanDerWaalsContact O-OG1 3.07Å; A47-A51 VanDerWaalsContact O-CB 3.23Å; A47-A51 WeakPolarHBondContact O-CB 3.26Å; A47-A51 PolarHBondContact O-N 3.15Å
48	D	88.1	Confident	83.2	Confident	75 Å²	75	90.9 Å²	90.9	40%	0.401	45%	0.453	S	S	.	.	H	α-helix	trans	-68	-38.4	175.1	-65.1	-35.8	0	0	0	111.1	Q44 N45 Q52	Q44-D48 PolarHBondContact NE2-OD1 2.88Å; Q44-D48 VanDerWaalsContact NE2-OD1 3.1Å; Q44-D48 PolarHBondContact NE2-OD2 3.23Å; Q44-D48 PolarHBondContact O-N 3.02Å; N45-D48 PolarHBondContact O-N 2.79Å; D48-Q52 WeakPolarHBondContact O-CB 3.41Å; D48-Q52 VanDerWaalsContact O-CG 3.32Å; D48-Q52 WeakPolarHBondContact O-CG 3.39Å; D48-Q52 PolarHBondContact O-N 2.81Å
49	E	86.1	Confident	83	Confident	85 Å²	85	93.9 Å²	93.9	40%	0.397	46%	0.461	S	S	.	.	H	α-helix	trans	-65.7	-44.4	173.9	-166.3	-154.4	116.6	0	0	112.1	R9 N45 L46 Q52 N53	R9-E49 IonicContact CZ-OE1 3.4Å; R9-E49 IonicContact NH1-OE1 2.76Å; R9-E49 PolarHBondContact NH1-OE1 2.82Å; R9-E49 IonicContact NH2-OE1 3.53Å; R9-E49 PolarHBondContact NH2-OE1 2.92Å; R9-E49 IonicContact NH2-OE2 3.7Å; N45-E49 WeakPolarHBondContact O-CB 3.1Å; N45-E49 PolarHBondContact O-N 2.84Å; L46-E49 PolarHBondContact O-N 2.89Å; E49-Q52 PolarHBondContact O-N 3.04Å; E49-N53 WeakPolarHBondContact O-CB 3.43Å; E49-N53 PolarHBondContact O-N 2.98Å; E49-N53 PolarHBondContact O-ND2 3.19Å; E49-N53 PolarHBondContact OE1-ND2 2.81Å
50	T	82.5	Confident	82.8	Confident	57 Å²	57	98.5 Å²	98.5	35%	0.35	48%	0.481	S	S	.	.	H	α-helix	trans	-67.7	-39.3	176.4	54.4	0	0	0	0	111.5	L46 A47 Q52 N53 L54	L46-T50 WeakPolarHBondContact O-CG2 3.21Å; L46-T50 PolarHBondContact O-N 3.2Å; L46-T50 PolarHBondContact O-OG1 3.44Å; L46-T50 VanDerWaalsContact O-OG1 3.13Å; A47-T50 WeakPolarHBondContact CA-OG1 3.42Å; A47-T50 PolarHBondContact O-N 2.81Å; A47-T50 PolarHBondContact O-OG1 3.32Å; A47-T50 VanDerWaalsContact O-OG1 3.07Å; T50-Q52 PolarHBondContact O-N 2.73Å; T50-N53 PolarHBondContact O-N 3.12Å; T50-L54 WeakPolarHBondContact O-CB 3.23Å; T50-L54 PolarHBondContact O-N 3.02Å
51	A	84	Confident	82.5	Confident	59 Å²	59	92.1 Å²	92.1	49%	0.488	46%	0.461	S	S	.	.	H	α-helix	trans	-61.1	-43.1	173.7	0	0	0	0	0	111.9	A47 K55	A47-A51 VanDerWaalsContact O-CB 3.23Å; A47-A51 WeakPolarHBondContact O-CB 3.26Å; A47-A51 PolarHBondContact O-N 3.15Å; A51-K55 WeakPolarHBondContact O-CB 3.47Å; A51-K55 PolarHBondContact O-N 2.96Å
52	Q	85.7	Confident	82.1	Confident	143 Å²	143	93.2 Å²	93.2	67%	0.668	46%	0.461	S	S	*	.	H	α-helix	trans	-66.4	-43.1	174.9	-75	-176.2	19.5	0	0	112.7	D48 E49 T50 K55 K56	D48-Q52 WeakPolarHBondContact O-CB 3.41Å; D48-Q52 VanDerWaalsContact O-CG 3.32Å; D48-Q52 WeakPolarHBondContact O-CG 3.39Å; D48-Q52 PolarHBondContact O-N 2.81Å; E49-Q52 PolarHBondContact O-N 3.04Å; T50-Q52 PolarHBondContact O-N 2.73Å; Q52-K55 PolarHBondContact O-N 3.47Å; Q52-K56 VanDerWaalsContact O-CB 3.29Å; Q52-K56 WeakPolarHBondContact O-CB 3.41Å; Q52-K56 PolarHBondContact O-N 3.38Å
53	N	83.4	Confident	81.8	Confident	70 Å²	70	97 Å²	97	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-65.9	-40.8	177.6	-79.7	-34.3	0	0	0	112.1	E49 T50 K56 N57	E49-N53 WeakPolarHBondContact O-CB 3.43Å; E49-N53 PolarHBondContact O-N 2.98Å; E49-N53 PolarHBondContact O-ND2 3.19Å; E49-N53 PolarHBondContact OE1-ND2 2.81Å; T50-N53 PolarHBondContact O-N 3.12Å; N53-K56 PolarHBondContact O-N 2.82Å; N53-N57 WeakPolarHBondContact O-CB 3.45Å; N53-N57 PolarHBondContact O-N 2.85Å
54	L	81.8	Confident	81.5	Confident	117 Å²	117	100.1 Å²	100.1	61%	0.613	49%	0.486	S	S	*	.	H	α-helix	trans	-66.7	-44.3	176.1	-162.8	151.6	0	0	0	110.2	T50 K56 N57 V58	T50-L54 WeakPolarHBondContact O-CB 3.23Å; T50-L54 PolarHBondContact O-N 3.02Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 2.86Å; L54-N57 PolarHBondContact O-N 2.68Å; L54-V58 HydrophobicContact CD2-CG2 3.97Å; L54-V58 WeakPolarHBondContact O-CB 3.3Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.22Å; L54-V58 PolarHBondContact O-N 3.29Å
55	K	82.9	Confident	81.3	Confident	129 Å²	129	102.3 Å²	102.3	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-56.7	-45.7	171.2	-173.8	171.3	-177.4	177	0	111.6	A51 Q52 V58 Y59	A51-K55 WeakPolarHBondContact O-CB 3.47Å; A51-K55 PolarHBondContact O-N 2.96Å; Q52-K55 PolarHBondContact O-N 3.47Å; K55-V58 PolarHBondContact O-N 2.94Å; K55-Y59 HydrophobicContact CD-CE2 4.22Å; K55-Y59 HydrophobicContact CG-CD2 3.77Å; K55-Y59 HydrophobicContact CG-CE2 3.58Å; K55-Y59 WeakPolarHBondContact O-CD2 3.34Å; K55-Y59 PolarHBondContact O-N 3.21Å
56	K	82.8	Confident	81	Confident	150 Å²	150	101.5 Å²	101.5	65%	0.652	49%	0.49	S	S	*	.	H	α-helix	trans	-66	-41.4	179.1	-171.2	177	-177.4	179.1	0	112.7	Q52 N53 L54 Y59 K60	Q52-K56 VanDerWaalsContact O-CB 3.29Å; Q52-K56 WeakPolarHBondContact O-CB 3.41Å; Q52-K56 PolarHBondContact O-N 3.38Å; N53-K56 PolarHBondContact O-N 2.82Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 2.86Å; K56-Y59 PolarHBondContact O-N 3.08Å; K56-K60 WeakPolarHBondContact O-CB 3.34Å; K56-K60 PolarHBondContact O-N 2.65Å
57	N	79.9	Confident	80.5	Confident	97 Å²	97	103.9 Å²	103.9	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-66.2	-42.9	174.3	-79.4	-19.6	0	0	0	111.5	N53 L54 K60 N61	N53-N57 WeakPolarHBondContact O-CB 3.45Å; N53-N57 PolarHBondContact O-N 2.85Å; L54-N57 PolarHBondContact O-N 2.68Å; N57-K60 PolarHBondContact O-N 3.22Å; N57-N61 WeakPolarHBondContact O-CB 2.82Å; N57-N61 VanDerWaalsContact O-CG 3.32Å; N57-N61 PolarHBondContact O-N 3.2Å; N57-N61 PolarHBondContact O-ND2 2.98Å
58	V	78.2	Confident	80.5	Confident	74 Å²	74	104.8 Å²	104.8	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-57.6	-55.4	172.1	170	0	0	0	0	109.4	L54 K55 K60 N61 Y62	L54-V58 HydrophobicContact CD2-CG2 3.97Å; L54-V58 WeakPolarHBondContact O-CB 3.3Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.22Å; L54-V58 PolarHBondContact O-N 3.29Å; K55-V58 PolarHBondContact O-N 2.94Å; V58-K60 PolarHBondContact O-N 3.06Å; V58-N61 CarbonylContact O-C 3.53Å; V58-N61 PolarHBondContact O-N 3.34Å; V58-N61 VanDerWaalsContact O-N 3.16Å; V58-Y62 HydrophobicContact CG1-CD2 4.44Å; V58-Y62 WeakPolarHBondContact O-CA 3.49Å; V58-Y62 WeakPolarHBondContact O-CB 3.25Å; V58-Y62 PolarHBondContact O-N 2.84Å
59	Y	76.2	Confident	80.4	Confident	152 Å²	152	104 Å²	104	60%	0.596	51%	0.505	S	S	*	.	H	α-helix	trans	-58.7	-40.1	179	-84	-68.6	0	0	0	114.2	K55 K56 N61 Y62	K55-Y59 HydrophobicContact CD-CE2 4.22Å; K55-Y59 HydrophobicContact CG-CD2 3.77Å; K55-Y59 HydrophobicContact CG-CE2 3.58Å; K55-Y59 WeakPolarHBondContact O-CD2 3.34Å; K55-Y59 PolarHBondContact O-N 3.21Å; K56-Y59 PolarHBondContact O-N 3.08Å; Y59-N61 VanDerWaalsContact C-N 3.31Å; Y59-N61 PolarHBondContact O-N 3.11Å; Y59-Y62 WeakPolarHBondContact O-CB 3.45Å; Y59-Y62 PolarHBondContact O-N 2.84Å
60	K	74.6	Confident	80.4	Confident	159 Å²	159	106 Å²	106	69%	0.691	51%	0.512	S	S	*	.	H	α-helix	trans	-61.7	-41.7	177.8	-172.6	-176	178	-170.7	0	111.3	K56 N57 V58	K56-K60 WeakPolarHBondContact O-CB 3.34Å; K56-K60 PolarHBondContact O-N 2.65Å; N57-K60 PolarHBondContact O-N 3.22Å; V58-K60 PolarHBondContact O-N 3.06Å
61	N	75.4	Confident	80.5	Confident	57 Å²	57	109.1 Å²	109.1	31%	0.305	52%	0.523	S	S	.	.	H	α-helix	trans	-89.1	-14	-179.4	-58.8	-12.6	0	0	0	112.3	N57 V58 Y59 R63 Q64 F65	N57-N61 WeakPolarHBondContact O-CB 2.82Å; N57-N61 VanDerWaalsContact O-CG 3.32Å; N57-N61 PolarHBondContact O-N 3.2Å; N57-N61 PolarHBondContact O-ND2 2.98Å; V58-N61 CarbonylContact O-C 3.53Å; V58-N61 PolarHBondContact O-N 3.34Å; V58-N61 VanDerWaalsContact O-N 3.16Å; Y59-N61 VanDerWaalsContact C-N 3.31Å; Y59-N61 PolarHBondContact O-N 3.11Å; N61-R63 VanDerWaalsContact C-N 3.27Å; N61-R63 PolarHBondContact O-N 3.17Å; N61-Q64 CarbonylContact O-C 3.51Å; N61-Q64 WeakPolarHBondContact O-CA 3.39Å; N61-Q64 WeakPolarHBondContact O-CB 3.31Å; N61-Q64 PolarHBondContact O-N 3.39Å; N61-F65 HydrophobicContact CB-CD2 3.86Å; N61-F65 HydrophobicContact CB-CE2 3.69Å; N61-F65 VanDerWaalsContact O-CD2 3.24Å; N61-F65 WeakPolarHBondContact O-CD2 3.34Å; N61-F65 PolarHBondContact O-N 3.38Å
62	Y	76.8	Confident	80.7	Confident	129 Å²	129	111.5 Å²	111.5	51%	0.506	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-38	-175	-166.5	-110.7	0	0	0	111.7	V58 Y59 F65 I66	V58-Y62 HydrophobicContact CG1-CD2 4.44Å; V58-Y62 WeakPolarHBondContact O-CA 3.49Å; V58-Y62 WeakPolarHBondContact O-CB 3.25Å; V58-Y62 PolarHBondContact O-N 2.84Å; Y59-Y62 WeakPolarHBondContact O-CB 3.45Å; Y59-Y62 PolarHBondContact O-N 2.84Å; Y62-F65 PolarHBondContact O-N 3.26Å; Y62-I66 HydrophobicContact CD1-CD1 3.84Å; Y62-I66 HydrophobicContact CE1-CD1 3.34Å; Y62-I66 HydrophobicContact CE1-CG1 4.36Å; Y62-I66 HydrophobicContact CE2-CD1 4.41Å; Y62-I66 WeakPolarHBondContact O-CB 3.37Å; Y62-I66 WeakPolarHBondContact O-CG1 3.43Å; Y62-I66 PolarHBondContact O-N 3.49Å
63	R	74.9	Confident	80.8	Confident	174 Å²	174	108 Å²	108	66%	0.657	52%	0.517	S	S	*	.	H	α-helix	trans	-62.2	-47.5	173.5	-174.1	175.7	-179.9	120.8	15.7	111.3	N61 I66 E67	N61-R63 VanDerWaalsContact C-N 3.27Å; N61-R63 PolarHBondContact O-N 3.17Å; R63-I66 PolarHBondContact O-N 2.82Å; R63-E67 HydrophobicContact CG-CG 4.46Å; R63-E67 IonicContact CZ-OE1 3.99Å; R63-E67 VanDerWaalsContact CZ-OE1 3.23Å; R63-E67 IonicContact NE-OE1 3.51Å; R63-E67 PolarHBondContact NE-OE1 2.68Å; R63-E67 IonicContact NE-OE2 3.54Å; R63-E67 IonicContact NH2-OE1 3.8Å; R63-E67 PolarHBondContact NH2-OE1 2.96Å; R63-E67 WeakPolarHBondContact O-CB 3.46Å; R63-E67 WeakPolarHBondContact O-CG 3.43Å; R63-E67 PolarHBondContact O-N 2.93Å
64	Q	77.7	Confident	81	Confident	124 Å²	124	112.7 Å²	112.7	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-64.2	-42	177.5	-68.5	-179.8	-29.7	0	0	111.7	N61 I66 E67 T68	N61-Q64 CarbonylContact O-C 3.51Å; N61-Q64 WeakPolarHBondContact O-CA 3.39Å; N61-Q64 WeakPolarHBondContact O-CB 3.31Å; N61-Q64 PolarHBondContact O-N 3.39Å; Q64-I66 PolarHBondContact O-N 3.14Å; Q64-E67 PolarHBondContact O-N 2.81Å; Q64-T68 WeakPolarHBondContact O-CG2 3.34Å; Q64-T68 PolarHBondContact O-N 3.37Å; Q64-T68 PolarHBondContact O-OG1 2.98Å
65	F	80.5	Confident	81.3	Confident	138 Å²	138	112.4 Å²	112.4	61%	0.605	53%	0.53	S	S	*	.	H	α-helix	trans	-65	-35	175.7	-77	-62.3	0	0	0	113.3	N61 Y62 T68 A69	N61-F65 HydrophobicContact CB-CD2 3.86Å; N61-F65 HydrophobicContact CB-CE2 3.69Å; N61-F65 VanDerWaalsContact O-CD2 3.24Å; N61-F65 WeakPolarHBondContact O-CD2 3.34Å; N61-F65 PolarHBondContact O-N 3.38Å; Y62-F65 PolarHBondContact O-N 3.26Å; F65-T68 PolarHBondContact O-OG1 3.43Å; F65-A69 WeakPolarHBondContact O-CB 3.39Å; F65-A69 PolarHBondContact O-N 3.49Å
66	I	80.1	Confident	81.6	Confident	69 Å²	69	110.9 Å²	110.9	35%	0.354	52%	0.524	S	S	.	.	H	α-helix	trans	-75.4	-37.7	174.2	-74.3	-176.2	0	0	0	111.5	Y62 R63 Q64 K70	Y62-I66 HydrophobicContact CD1-CD1 3.84Å; Y62-I66 HydrophobicContact CE1-CD1 3.34Å; Y62-I66 HydrophobicContact CE1-CG1 4.36Å; Y62-I66 HydrophobicContact CE2-CD1 4.41Å; Y62-I66 WeakPolarHBondContact O-CB 3.37Å; Y62-I66 WeakPolarHBondContact O-CG1 3.43Å; Y62-I66 PolarHBondContact O-N 3.49Å; R63-I66 PolarHBondContact O-N 2.82Å; Q64-I66 PolarHBondContact O-N 3.14Å; I66-K70 HydrophobicContact CG2-CD 4.23Å; I66-K70 WeakPolarHBondContact O-CB 3.43Å; I66-K70 VanDerWaalsContact O-CG 3.27Å; I66-K70 WeakPolarHBondContact O-CG 3.48Å; I66-K70 PolarHBondContact O-N 3.47Å
67	E	75.7	Confident	81.8	Confident	80 Å²	80	106.4 Å²	106.4	37%	0.374	51%	0.512	S	S	.	.	H	α-helix	trans	-65.3	-46.7	175.5	-75.3	167.9	171.3	0	0	110.2	R63 Q64 K70 E71	R63-E67 HydrophobicContact CG-CG 4.46Å; R63-E67 IonicContact CZ-OE1 3.99Å; R63-E67 VanDerWaalsContact CZ-OE1 3.23Å; R63-E67 IonicContact NE-OE1 3.51Å; R63-E67 PolarHBondContact NE-OE1 2.68Å; R63-E67 IonicContact NE-OE2 3.54Å; R63-E67 IonicContact NH2-OE1 3.8Å; R63-E67 PolarHBondContact NH2-OE1 2.96Å; R63-E67 WeakPolarHBondContact O-CB 3.46Å; R63-E67 WeakPolarHBondContact O-CG 3.43Å; R63-E67 PolarHBondContact O-N 2.93Å; Q64-E67 PolarHBondContact O-N 2.81Å; E67-K70 PolarHBondContact O-N 3.15Å; E67-E71 WeakPolarHBondContact O-CG 3.38Å; E67-E71 PolarHBondContact O-N 3.17Å
68	T	82.5	Confident	82.3	Confident	63 Å²	63	107.5 Å²	107.5	39%	0.387	51%	0.514	S	S	.	.	H	α-helix	trans	-67.9	-39.5	175.3	57.9	0	0	0	0	113.3	Q64 F65 K70 E71 I72	Q64-T68 WeakPolarHBondContact O-CG2 3.34Å; Q64-T68 PolarHBondContact O-N 3.37Å; Q64-T68 PolarHBondContact O-OG1 2.98Å; F65-T68 PolarHBondContact O-OG1 3.43Å; T68-K70 VanDerWaalsContact C-N 3.28Å; T68-K70 PolarHBondContact O-N 2.72Å; T68-E71 PolarHBondContact O-N 3.1Å; T68-I72 WeakPolarHBondContact O-CB 3.5Å; T68-I72 WeakPolarHBondContact O-CD1 3.42Å; T68-I72 VanDerWaalsContact O-CG1 3.22Å; T68-I72 WeakPolarHBondContact O-CG1 3.35Å; T68-I72 PolarHBondContact O-N 2.99Å
69	A	86.1	Confident	82.8	Confident	57 Å²	57	109.5 Å²	109.5	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-33.8	174.8	0	0	0	0	0	112.3	F65 S73	F65-A69 WeakPolarHBondContact O-CB 3.39Å; F65-A69 PolarHBondContact O-N 3.49Å; A69-S73 WeakPolarHBondContact O-CB 3.28Å; A69-S73 PolarHBondContact O-N 3.23Å
70	K	86.2	Confident	83.4	Confident	129 Å²	129	109.4 Å²	109.4	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-69.1	-46.1	171.6	-79	179.1	175.8	-171.7	0	111.9	I66 E67 T68 I72 S73 Y74	I66-K70 HydrophobicContact CG2-CD 4.23Å; I66-K70 WeakPolarHBondContact O-CB 3.43Å; I66-K70 VanDerWaalsContact O-CG 3.27Å; I66-K70 WeakPolarHBondContact O-CG 3.48Å; I66-K70 PolarHBondContact O-N 3.47Å; E67-K70 PolarHBondContact O-N 3.15Å; T68-K70 VanDerWaalsContact C-N 3.28Å; T68-K70 PolarHBondContact O-N 2.72Å; K70-I72 VanDerWaalsContact C-N 3.31Å; K70-I72 PolarHBondContact O-N 3.01Å; K70-S73 PolarHBondContact O-N 2.65Å; K70-S73 VanDerWaalsContact O-N 3.15Å; K70-Y74 VanDerWaalsContact O-CD2 3.23Å; K70-Y74 WeakPolarHBondContact O-CD2 3.49Å; K70-Y74 PolarHBondContact O-N 3.41Å
71	E	85.2	Confident	84.1	Confident	122 Å²	122	107.3 Å²	107.3	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-59.3	-42	176.2	-74.7	175.6	176.1	0	0	111.6	E67 T68 Y74 L75	E67-E71 WeakPolarHBondContact O-CG 3.38Å; E67-E71 PolarHBondContact O-N 3.17Å; T68-E71 PolarHBondContact O-N 3.1Å; E71-Y74 PolarHBondContact O-N 2.81Å; E71-L75 WeakPolarHBondContact O-CB 3.19Å; E71-L75 PolarHBondContact O-N 3.26Å
72	I	87.8	Confident	84.7	Confident	108 Å²	108	109.5 Å²	109.5	55%	0.554	52%	0.523	S	S	*	.	H	α-helix	trans	-61.1	-44.4	173.5	-69.1	163.9	0	0	0	111	T68 K70 L75 E76	T68-I72 WeakPolarHBondContact O-CB 3.5Å; T68-I72 WeakPolarHBondContact O-CD1 3.42Å; T68-I72 VanDerWaalsContact O-CG1 3.22Å; T68-I72 WeakPolarHBondContact O-CG1 3.35Å; T68-I72 PolarHBondContact O-N 2.99Å; K70-I72 VanDerWaalsContact C-N 3.31Å; K70-I72 PolarHBondContact O-N 3.01Å; I72-L75 PolarHBondContact O-N 3.49Å; I72-E76 VanDerWaalsContact O-CB 3.31Å; I72-E76 WeakPolarHBondContact O-CB 3.5Å; I72-E76 PolarHBondContact O-N 2.95Å
73	S	88.5	Confident	85.2	Confident	70 Å²	70	106.3 Å²	106.3	49%	0.49	52%	0.52	S	S	.	.	H	α-helix	trans	-67.8	-34.7	178.4	-177.4	0	0	0	0	113.2	A69 K70 S77	A69-S73 WeakPolarHBondContact O-CB 3.28Å; A69-S73 PolarHBondContact O-N 3.23Å; K70-S73 PolarHBondContact O-N 2.65Å; K70-S73 VanDerWaalsContact O-N 3.15Å; S73-S77 PolarHBondContact O-N 3.35Å
74	Y	87.2	Confident	86	Confident	168 Å²	168	104.1 Å²	104.1	66%	0.659	52%	0.517	S	S	*	.	H	α-helix	trans	-67	-47	171.3	-84.2	-68.2	0	0	0	111.4	K70 E71 E76 S77 E78	K70-Y74 VanDerWaalsContact O-CD2 3.23Å; K70-Y74 WeakPolarHBondContact O-CD2 3.49Å; K70-Y74 PolarHBondContact O-N 3.41Å; E71-Y74 PolarHBondContact O-N 2.81Å; Y74-E76 VanDerWaalsContact C-N 3.32Å; Y74-E76 PolarHBondContact O-N 2.8Å; Y74-S77 WeakPolarHBondContact O-CB 3.48Å; Y74-S77 PolarHBondContact O-N 3.36Å; Y74-S77 VanDerWaalsContact O-N 3.11Å; Y74-E78 PolarHBondContact O-N 2.94Å
75	L	88.6	Confident	86.5	Confident	112 Å²	112	102 Å²	102	59%	0.586	51%	0.509	S	S	*	.	H	α-helix	trans	-59.9	-39.8	175.3	-86.8	163.9	0	0	0	112.6	E71 I72 E78 M79	E71-L75 WeakPolarHBondContact O-CB 3.19Å; E71-L75 PolarHBondContact O-N 3.26Å; I72-L75 PolarHBondContact O-N 3.49Å; L75-E78 PolarHBondContact O-N 3.24Å; L75-M79 VanDerWaalsContact O-CB 3.22Å; L75-M79 WeakPolarHBondContact O-CB 3.3Å; L75-M79 PolarHBondContact O-N 3.15Å
76	E	88.8	Confident	86.9	Confident	96 Å²	96	100.1 Å²	100.1	45%	0.449	51%	0.505	S	S	.	.	H	α-helix	trans	-61.6	-44.6	173.8	-178.2	176.4	-168.1	0	0	110.6	I72 Y74 M79 Y80	I72-E76 VanDerWaalsContact O-CB 3.31Å; I72-E76 WeakPolarHBondContact O-CB 3.5Å; I72-E76 PolarHBondContact O-N 2.95Å; Y74-E76 VanDerWaalsContact C-N 3.32Å; Y74-E76 PolarHBondContact O-N 2.8Å; E76-M79 PolarHBondContact O-N 3.1Å; E76-Y80 HydrophobicContact CG-CD2 3.85Å; E76-Y80 HydrophobicContact CG-CE2 3.65Å; E76-Y80 WeakPolarHBondContact O-CD2 3.46Å; E76-Y80 PolarHBondContact O-N 3.04Å
77	S	87	Confident	87.3	Confident	57 Å²	57	101 Å²	101	40%	0.399	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-43.4	176.1	-170.7	0	0	0	0	113	S73 Y74 Y80 Q81	S73-S77 PolarHBondContact O-N 3.35Å; Y74-S77 WeakPolarHBondContact O-CB 3.48Å; Y74-S77 PolarHBondContact O-N 3.36Å; Y74-S77 VanDerWaalsContact O-N 3.11Å; S77-Y80 PolarHBondContact O-N 3.41Å; S77-Q81 WeakPolarHBondContact O-CG 3.3Å; S77-Q81 PolarHBondContact O-N 2.87Å
78	E	91.1	Very high	87.9	Confident	119 Å²	119	102.2 Å²	102.2	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-39	174.8	-72	-176.7	157.9	0	0	111.6	Y74 L75 Q81 L82	Y74-E78 PolarHBondContact O-N 2.94Å; L75-E78 PolarHBondContact O-N 3.24Å; E78-Q81 PolarHBondContact O-N 3.42Å; E78-L82 WeakPolarHBondContact O-CB 3.36Å; E78-L82 PolarHBondContact O-N 3.1Å
79	M	88.3	Confident	88	Confident	117 Å²	117	104.7 Å²	104.7	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-66.3	-38	175.4	-171	-173.3	72	0	0	111.7	L75 E76 L82 S83	L75-M79 VanDerWaalsContact O-CB 3.22Å; L75-M79 WeakPolarHBondContact O-CB 3.3Å; L75-M79 PolarHBondContact O-N 3.15Å; E76-M79 PolarHBondContact O-N 3.1Å; M79-L82 PolarHBondContact O-N 3.13Å; M79-S83 WeakPolarHBondContact O-CB 3.25Å; M79-S83 PolarHBondContact O-N 2.85Å
80	Y	89.4	Confident	87.9	Confident	149 Å²	149	107.8 Å²	107.8	58%	0.584	53%	0.529	S	S	*	.	H	α-helix	trans	-66	-39.7	172	-85.1	-63.9	0	0	0	112.3	E76 S77 S83 H84	E76-Y80 HydrophobicContact CG-CD2 3.85Å; E76-Y80 HydrophobicContact CG-CE2 3.65Å; E76-Y80 WeakPolarHBondContact O-CD2 3.46Å; E76-Y80 PolarHBondContact O-N 3.04Å; S77-Y80 PolarHBondContact O-N 3.41Å; Y80-S83 PolarHBondContact O-N 3.26Å; Y80-H84 WeakPolarHBondContact O-CB 3.28Å; Y80-H84 PolarHBondContact O-N 2.92Å
81	Q	88.8	Confident	87.6	Confident	116 Å²	116	105 Å²	105	54%	0.542	53%	0.526	S	S	.	.	H	α-helix	trans	-64.2	-45.6	173.5	-72.1	175	13.4	0	0	111.7	S77 E78 S83 H84 I85	S77-Q81 WeakPolarHBondContact O-CG 3.3Å; S77-Q81 PolarHBondContact O-N 2.87Å; E78-Q81 PolarHBondContact O-N 3.42Å; Q81-S83 PolarHBondContact O-N 2.85Å; Q81-H84 WeakPolarHBondContact O-CB 3.44Å; Q81-H84 PolarHBondContact O-N 3.03Å; Q81-I85 WeakPolarHBondContact O-CG1 3.17Å; Q81-I85 PolarHBondContact O-N 3.43Å
82	L	86.8	Confident	87.6	Confident	102 Å²	102	103.4 Å²	103.4	53%	0.534	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-42.3	176.4	-170.9	74.4	0	0	0	111.4	E78 M79 H84 I85 L86	E78-L82 WeakPolarHBondContact O-CB 3.36Å; E78-L82 PolarHBondContact O-N 3.1Å; M79-L82 PolarHBondContact O-N 3.13Å; L82-H84 VanDerWaalsContact C-N 3.32Å; L82-H84 PolarHBondContact O-N 3.43Å; L82-I85 PolarHBondContact O-N 3.42Å; L82-L86 HydrophobicContact CD2-CD1 4.46Å; L82-L86 HydrophobicContact CG-CD1 4.07Å; L82-L86 HydrophobicContact CG-CG 4.48Å; L82-L86 WeakPolarHBondContact O-CB 3.14Å; L82-L86 VanDerWaalsContact O-CG 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.16Å; L82-L86 PolarHBondContact O-N 3.28Å
83	S	88.4	Confident	87.1	Confident	62 Å²	62	104.1 Å²	104.1	43%	0.434	52%	0.523	S	S	.	.	H	α-helix	trans	-60.5	-41.2	173.9	-177.4	0	0	0	0	111.6	M79 Y80 Q81 L86 T87	M79-S83 WeakPolarHBondContact O-CB 3.25Å; M79-S83 PolarHBondContact O-N 2.85Å; Y80-S83 PolarHBondContact O-N 3.26Å; Q81-S83 PolarHBondContact O-N 2.85Å; S83-L86 PolarHBondContact O-N 3.14Å; S83-T87 WeakPolarHBondContact O-CB 3.14Å; S83-T87 PolarHBondContact O-N 3.48Å; S83-T87 PolarHBondContact O-OG1 2.89Å
84	H	91.8	Very high	86.6	Confident	128 Å²	128	105.4 Å²	105.4	59%	0.593	52%	0.521	S	S	*	.	H	α-helix	trans	-64.5	-48.7	175.2	-166.2	55.5	0	0	0	111.7	Y80 Q81 L82 L86 T87 E88	Y80-H84 WeakPolarHBondContact O-CB 3.28Å; Y80-H84 PolarHBondContact O-N 2.92Å; Q81-H84 WeakPolarHBondContact O-CB 3.44Å; Q81-H84 PolarHBondContact O-N 3.03Å; L82-H84 VanDerWaalsContact C-N 3.32Å; L82-H84 PolarHBondContact O-N 3.43Å; H84-L86 VanDerWaalsContact C-N 3.34Å; H84-L86 PolarHBondContact O-N 3.37Å; H84-T87 CarbonylContact O-C 3.48Å; H84-T87 WeakPolarHBondContact O-CB 3.46Å; H84-T87 PolarHBondContact O-N 2.94Å; H84-T87 VanDerWaalsContact O-N 3.11Å; H84-E88 WeakPolarHBondContact O-CB 3.44Å; H84-E88 PolarHBondContact O-N 3.21Å
85	I	88.8	Confident	86	Confident	80 Å²	80	101 Å²	101	41%	0.41	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-40.4	176.7	-67	163.8	0	0	0	111.4	Q81 L82 E88 Q89	Q81-I85 WeakPolarHBondContact O-CG1 3.17Å; Q81-I85 PolarHBondContact O-N 3.43Å; L82-I85 PolarHBondContact O-N 3.42Å; I85-E88 PolarHBondContact O-N 3.05Å; I85-Q89 HydrophobicContact CG2-CG 4.42Å; I85-Q89 WeakPolarHBondContact O-CB 3.38Å; I85-Q89 WeakPolarHBondContact O-CG 3.33Å; I85-Q89 PolarHBondContact O-N 3.45Å
86	L	87.3	Confident	85.4	Confident	99 Å²	99	99.9 Å²	99.9	52%	0.518	51%	0.508	S	S	.	.	H	α-helix	trans	-68.1	-34.9	175.5	-73.9	170.2	0	0	0	112	L82 S83 H84 K90	L82-L86 HydrophobicContact CD2-CD1 4.46Å; L82-L86 HydrophobicContact CG-CD1 4.07Å; L82-L86 HydrophobicContact CG-CG 4.48Å; L82-L86 WeakPolarHBondContact O-CB 3.14Å; L82-L86 VanDerWaalsContact O-CG 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.16Å; L82-L86 PolarHBondContact O-N 3.28Å; S83-L86 PolarHBondContact O-N 3.14Å; H84-L86 VanDerWaalsContact C-N 3.34Å; H84-L86 PolarHBondContact O-N 3.37Å; L86-K90 WeakPolarHBondContact O-CB 3.34Å; L86-K90 PolarHBondContact O-N 3.36Å
87	T	89.4	Confident	84.5	Confident	86 Å²	86	98.6 Å²	98.6	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-70.2	-39	174.6	-53.8	0	0	0	0	111	S83 H84 K90 S91	S83-T87 WeakPolarHBondContact O-CB 3.14Å; S83-T87 PolarHBondContact O-N 3.48Å; S83-T87 PolarHBondContact O-OG1 2.89Å; H84-T87 CarbonylContact O-C 3.48Å; H84-T87 WeakPolarHBondContact O-CB 3.46Å; H84-T87 PolarHBondContact O-N 2.94Å; H84-T87 VanDerWaalsContact O-N 3.11Å; T87-K90 PolarHBondContact O-N 2.97Å; T87-S91 WeakPolarHBondContact O-CB 3.3Å; T87-S91 PolarHBondContact O-N 3.39Å
88	E	87.6	Confident	83.5	Confident	107 Å²	107	102.5 Å²	102.5	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-67.6	-47.5	175.2	-171.5	175.1	-153.6	0	0	111.1	H84 I85 K90 S91 I92	H84-E88 WeakPolarHBondContact O-CB 3.44Å; H84-E88 PolarHBondContact O-N 3.21Å; I85-E88 PolarHBondContact O-N 3.05Å; E88-K90 VanDerWaalsContact C-N 3.32Å; E88-K90 PolarHBondContact O-N 3.08Å; E88-S91 CarbonylContact O-C 3.55Å; E88-S91 PolarHBondContact O-N 2.87Å; E88-S91 VanDerWaalsContact O-N 3.14Å; E88-I92 HydrophobicContact CG-CD1 4.01Å; E88-I92 WeakPolarHBondContact O-CB 3.26Å; E88-I92 VanDerWaalsContact O-CG1 3.27Å; E88-I92 WeakPolarHBondContact O-CG1 3.45Å; E88-I92 PolarHBondContact O-N 3.27Å
89	Q	84.3	Confident	82.1	Confident	114 Å²	114	99.9 Å²	99.9	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-38.3	173	-77	-168.7	2.3	0	0	112.3	I85 I92 M93	I85-Q89 HydrophobicContact CG2-CG 4.42Å; I85-Q89 WeakPolarHBondContact O-CB 3.38Å; I85-Q89 WeakPolarHBondContact O-CG 3.33Å; I85-Q89 PolarHBondContact O-N 3.45Å; Q89-I92 PolarHBondContact O-N 2.94Å; Q89-M93 VanDerWaalsContact O-CB 3.23Å; Q89-M93 WeakPolarHBondContact O-CB 3.37Å; Q89-M93 PolarHBondContact O-N 3.12Å
90	K	84.8	Confident	80.5	Confident	123 Å²	123	100.2 Å²	100.2	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-44.4	172.6	179.3	178.4	169.7	-178.2	0	111	L86 T87 E88 M93 E94	L86-K90 WeakPolarHBondContact O-CB 3.34Å; L86-K90 PolarHBondContact O-N 3.36Å; T87-K90 PolarHBondContact O-N 2.97Å; E88-K90 VanDerWaalsContact C-N 3.32Å; E88-K90 PolarHBondContact O-N 3.08Å; K90-M93 PolarHBondContact O-N 3.26Å; K90-E94 WeakPolarHBondContact CE-OE1 3.35Å; K90-E94 HydrophobicContact CG-CG 4.44Å; K90-E94 IonicContact NZ-OE1 3.24Å; K90-E94 WeakPolarHBondContact O-CB 3.47Å; K90-E94 WeakPolarHBondContact O-CG 2.89Å; K90-E94 PolarHBondContact O-N 2.74Å
91	S	80.6	Confident	78.9	Confident	71 Å²	71	100 Å²	100	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-64.6	-39.5	176.8	-177.9	0	0	0	0	112.3	T87 E88 S95	T87-S91 WeakPolarHBondContact O-CB 3.3Å; T87-S91 PolarHBondContact O-N 3.39Å; E88-S91 CarbonylContact O-C 3.55Å; E88-S91 PolarHBondContact O-N 2.87Å; E88-S91 VanDerWaalsContact O-N 3.14Å; S91-S95 WeakPolarHBondContact O-CB 3.29Å; S91-S95 PolarHBondContact O-N 3.36Å
92	I	84.8	Confident	77	Confident	88 Å²	88	98.9 Å²	98.9	45%	0.451	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-43.8	172.7	-69.9	164.2	0	0	0	110.1	E88 Q89 S95 I96	E88-I92 HydrophobicContact CG-CD1 4.01Å; E88-I92 WeakPolarHBondContact O-CB 3.26Å; E88-I92 VanDerWaalsContact O-CG1 3.27Å; E88-I92 WeakPolarHBondContact O-CG1 3.45Å; E88-I92 PolarHBondContact O-N 3.27Å; Q89-I92 PolarHBondContact O-N 2.94Å; I92-S95 WeakPolarHBondContact O-CB 3.35Å; I92-S95 PolarHBondContact O-N 3.34Å; I92-I96 HydrophobicContact CG2-CD1 3.66Å; I92-I96 HydrophobicContact CG2-CG1 4.33Å; I92-I96 WeakPolarHBondContact O-CB 3.43Å; I92-I96 VanDerWaalsContact O-CG1 3.25Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 3.36Å
93	M	76.7	Confident	75	Confident	123 Å²	123	98.3 Å²	98.3	61%	0.606	53%	0.531	S	S	*	.	H	α-helix	trans	-65.6	-42.6	177.5	-170	-176.2	-60.2	0	0	111.8	Q89 K90 I96 T97	Q89-M93 VanDerWaalsContact O-CB 3.23Å; Q89-M93 WeakPolarHBondContact O-CB 3.37Å; Q89-M93 PolarHBondContact O-N 3.12Å; K90-M93 PolarHBondContact O-N 3.26Å; M93-I96 PolarHBondContact O-N 3.01Å; M93-T97 WeakPolarHBondContact O-CB 3.14Å; M93-T97 PolarHBondContact O-N 2.92Å; M93-T97 PolarHBondContact O-OG1 2.6Å
94	E	77.2	Confident	72.8	Confident	97 Å²	97	102.6 Å²	102.6	45%	0.453	55%	0.549	S	S	.	.	H	α-helix	trans	-64.3	-39.7	173.3	-74.7	175.1	168.4	0	0	111	K90 T97 Q98	K90-E94 WeakPolarHBondContact CE-OE1 3.35Å; K90-E94 HydrophobicContact CG-CG 4.44Å; K90-E94 IonicContact NZ-OE1 3.24Å; K90-E94 WeakPolarHBondContact O-CB 3.47Å; K90-E94 WeakPolarHBondContact O-CG 2.89Å; K90-E94 PolarHBondContact O-N 2.74Å; E94-T97 PolarHBondContact O-N 3.02Å; E94-Q98 WeakPolarHBondContact O-CB 3.44Å; E94-Q98 WeakPolarHBondContact O-CG 3.46Å; E94-Q98 PolarHBondContact O-N 3.49Å
95	S	76.4	Confident	70.8	Confident	74 Å²	74	104.6 Å²	104.6	52%	0.517	56%	0.556	S	S	.	*	H	α-helix	trans	-64.4	-47.4	174.5	178.4	0	0	0	0	112.4	S91 I92 T97 Q98 S99	S91-S95 WeakPolarHBondContact O-CB 3.29Å; S91-S95 PolarHBondContact O-N 3.36Å; I92-S95 WeakPolarHBondContact O-CB 3.35Å; I92-S95 PolarHBondContact O-N 3.34Å; S95-T97 VanDerWaalsContact C-N 3.32Å; S95-T97 PolarHBondContact O-N 3.24Å; S95-Q98 PolarHBondContact O-N 2.91Å; S95-S99 VanDerWaalsContact O-CB 3.31Å; S95-S99 WeakPolarHBondContact O-CB 3.34Å; S95-S99 PolarHBondContact O-N 2.94Å
96	I	74.6	Confident	68.8	Low	90 Å²	90	107.7 Å²	107.7	46%	0.462	57%	0.574	S	S	.	*	H	α-helix	trans	-61.2	-42.9	173.7	-71.4	167.6	0	0	0	110	I92 M93 S99 L100	I92-I96 HydrophobicContact CG2-CD1 3.66Å; I92-I96 HydrophobicContact CG2-CG1 4.33Å; I92-I96 WeakPolarHBondContact O-CB 3.43Å; I92-I96 VanDerWaalsContact O-CG1 3.25Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 3.36Å; M93-I96 PolarHBondContact O-N 3.01Å; I96-S99 PolarHBondContact O-N 2.77Å; I96-L100 HydrophobicContact CG2-CD1 3.71Å; I96-L100 HydrophobicContact CG2-CG 4.27Å; I96-L100 WeakPolarHBondContact O-CB 3.38Å; I96-L100 VanDerWaalsContact O-CG 3.23Å; I96-L100 WeakPolarHBondContact O-CG 3.31Å; I96-L100 PolarHBondContact O-N 3.05Å
97	T	70.6	Confident	66.6	Low	68 Å²	68	111.9 Å²	111.9	42%	0.417	59%	0.591	S	S	.	*	H	α-helix	trans	-66.2	-42.2	179.5	-56.2	0	0	0	0	111	M93 E94 S95 L100 L101	M93-T97 WeakPolarHBondContact O-CB 3.14Å; M93-T97 PolarHBondContact O-N 2.92Å; M93-T97 PolarHBondContact O-OG1 2.6Å; E94-T97 PolarHBondContact O-N 3.02Å; S95-T97 VanDerWaalsContact C-N 3.32Å; S95-T97 PolarHBondContact O-N 3.24Å; T97-L100 PolarHBondContact O-N 3.43Å; T97-L101 HydrophobicContact CG2-CD1 3.92Å; T97-L101 VanDerWaalsContact O-CB 3.31Å; T97-L101 WeakPolarHBondContact O-CB 3.06Å; T97-L101 WeakPolarHBondContact O-CD1 3.4Å; T97-L101 WeakPolarHBondContact O-CG 3.08Å; T97-L101 PolarHBondContact O-N 3.07Å
98	Q	66.8	Low	64.3	Low	139 Å²	139	113.2 Å²	113.2	65%	0.65	60%	0.599	S	S	*	*	H	α-helix	trans	-65.9	-37.1	172.4	-74.1	-179.7	4.5	0	0	112.4	E94 S95 L101 S102	E94-Q98 WeakPolarHBondContact O-CB 3.44Å; E94-Q98 WeakPolarHBondContact O-CG 3.46Å; E94-Q98 PolarHBondContact O-N 3.49Å; S95-Q98 PolarHBondContact O-N 2.91Å; Q98-L101 CarbonylContact O-C 3.59Å; Q98-L101 PolarHBondContact O-N 3.15Å; Q98-S102 VanDerWaalsContact O-CB 3.27Å; Q98-S102 WeakPolarHBondContact O-CB 3.44Å; Q98-S102 PolarHBondContact O-N 3.04Å; Q98-S102 PolarHBondContact O-OG 3.27Å
99	S	60.2	Low	62.2	Low	64 Å²	64	112.5 Å²	112.5	45%	0.448	61%	0.606	S	S	.	*	H	α-helix	trans	-64.6	-43.8	175.1	-168.9	0	0	0	0	111.4	S95 I96 L101 S102 T103	S95-S99 VanDerWaalsContact O-CB 3.31Å; S95-S99 WeakPolarHBondContact O-CB 3.34Å; S95-S99 PolarHBondContact O-N 2.94Å; I96-S99 PolarHBondContact O-N 2.77Å; S99-L101 VanDerWaalsContact C-N 3.3Å; S99-L101 PolarHBondContact O-N 2.95Å; S99-S102 PolarHBondContact O-N 3.29Å; S99-S102 PolarHBondContact O-OG 3.44Å; S99-T103 PolarHBondContact O-N 3.34Å; S99-T103 VanDerWaalsContact O-N 3.11Å; S99-T103 PolarHBondContact O-OG1 3.39Å; S99-T103 VanDerWaalsContact O-OG1 3.12Å
100	L	55.9	Low	60.3	Low	125 Å²	125	116.1 Å²	116.1	65%	0.654	62%	0.62	S	S	*	*	H	α-helix	trans	-68.2	-27.9	176.1	-70	168.6	0	0	0	112.7	I96 T97	I96-L100 HydrophobicContact CG2-CD1 3.71Å; I96-L100 HydrophobicContact CG2-CG 4.27Å; I96-L100 WeakPolarHBondContact O-CB 3.38Å; I96-L100 VanDerWaalsContact O-CG 3.23Å; I96-L100 WeakPolarHBondContact O-CG 3.31Å; I96-L100 PolarHBondContact O-N 3.05Å; T97-L100 PolarHBondContact O-N 3.43Å
101	L	54.4	Low	58.3	Low	144 Å²	144	118.2 Å²	118.2	75%	0.754	63%	0.631	S	S	*	*	H	α-helix	trans	-86	-9.2	174.8	-71.2	168.2	0	0	0	113.9	T97 Q98 S99	T97-L101 HydrophobicContact CG2-CD1 3.92Å; T97-L101 VanDerWaalsContact O-CB 3.31Å; T97-L101 WeakPolarHBondContact O-CB 3.06Å; T97-L101 WeakPolarHBondContact O-CD1 3.4Å; T97-L101 WeakPolarHBondContact O-CG 3.08Å; T97-L101 PolarHBondContact O-N 3.07Å; Q98-L101 CarbonylContact O-C 3.59Å; Q98-L101 PolarHBondContact O-N 3.15Å; S99-L101 VanDerWaalsContact C-N 3.3Å; S99-L101 PolarHBondContact O-N 2.95Å
102	S	50.6	Low	56.5	Low	92 Å²	92	122.6 Å²	122.6	64%	0.643	65%	0.646	S	S	*	*	H	α-helix	trans	-116.8	-7.2	-177.5	57.5	0	0	0	0	115	Q98 S99	Q98-S102 VanDerWaalsContact O-CB 3.27Å; Q98-S102 WeakPolarHBondContact O-CB 3.44Å; Q98-S102 PolarHBondContact O-N 3.04Å; Q98-S102 PolarHBondContact O-OG 3.27Å; S99-S102 PolarHBondContact O-N 3.29Å; S99-S102 PolarHBondContact O-OG 3.44Å
103	T	43.6	Very low	54.5	Low	90 Å²	90	126.4 Å²	126.4	55%	0.552	66%	0.662	S	S	*	*	S	Bend	trans	-93.5	105.2	167	51.1	0	0	0	0	110.6	S99	S99-T103 PolarHBondContact O-N 3.34Å; S99-T103 VanDerWaalsContact O-N 3.11Å; S99-T103 PolarHBondContact O-OG1 3.39Å; S99-T103 VanDerWaalsContact O-OG1 3.12Å
104	D	41.5	Very low	53	Low	152 Å²	152	124.9 Å²	124.9	81%	0.813	67%	0.668	S	S	*	*			trans	-64.2	163.7	171.2	-148.4	-13.8	0	0	0	111.3
105	K	50.7	Low	51.5	Low	170 Å²	170	123.7 Å²	123.7	74%	0.739	68%	0.675	S	S	*	*	S	Bend	trans	-74.6	154.9	-151.2	-62.2	173.2	178.3	174.4	0	116.7
106	D	46.8	Very low	50	Low	146 Å²	146	129.1 Å²	129.1	78%	0.781	69%	0.69	S	S	*	*	S	Bend	trans	91.5	-7.9	142.3	-67.5	-27.3	0	0	0	124.2
107	E	40.8	Very low	48.7	Very low	186 Å²	186	129.8 Å²	129.8	87%	0.869	70%	0.7	S	S	*	*	S	Bend	trans	-118.3	-21	-177.8	-72	-160.5	135.7	0	0	119.5
108	T	42.3	Very low	47.3	Very low	114 Å²	114	134.8 Å²	134.8	70%	0.699	72%	0.716	S	S	*	*	S	Bend	trans	-102.1	1.9	-169.4	50.5	0	0	0	0	116.6	K110	T108-K110 VanDerWaalsContact C-N 3.3Å; T108-K110 PolarHBondContact O-N 3.3Å
109	S	42.8	Very low	46.2	Very low	92 Å²	92	136.4 Å²	136.4	64%	0.643	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-12	-179.4	50.3	0	0	0	0	114.9
110	K	44.4	Very low	46	Very low	190 Å²	190	137.9 Å²	137.9	83%	0.826	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-23.7	-179.8	-76.5	-179.1	176.7	172.9	0	115.5	T108	T108-K110 VanDerWaalsContact C-N 3.3Å; T108-K110 PolarHBondContact O-N 3.3Å
111	E	42.6	Very low	46	Very low	167 Å²	167	137 Å²	137	78%	0.78	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-27	-175.8	-66.1	-166.1	143	0	0	113.7	Q113 A114	E111-Q113 PolarHBondContact O-N 2.76Å; E111-A114 PolarHBondContact O-N 3.24Å
112	M	42.9	Very low	46.2	Very low	163 Å²	163	134.6 Å²	134.6	80%	0.803	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-79.5	-13.1	-176.9	-107.4	174.9	60.9	0	0	115.5	A114	M112-A114 VanDerWaalsContact C-N 3.26Å; M112-A114 PolarHBondContact O-N 2.75Å
113	Q	42.1	Very low	46.7	Very low	169 Å²	169	136 Å²	136	79%	0.79	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-75.4	-11.5	173.4	-75	-175.1	-14	0	0	113.5	E111	E111-Q113 PolarHBondContact O-N 2.76Å
114	A	45.3	Very low	47.5	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-87.2	-11	-175.1	0	0	0	0	0	115.2	E111 M112	E111-A114 PolarHBondContact O-N 3.24Å; M112-A114 VanDerWaalsContact C-N 3.26Å; M112-A114 PolarHBondContact O-N 2.75Å
115	A	45.4	Very low	48.6	Very low	72 Å²	72	132.5 Å²	132.5	60%	0.595	68%	0.678	S	S	*	*	S	Bend	trans	-99	-21.1	-163.6	0	0	0	0	0	116.5
116	F	46.4	Very low	49.4	Very low	188 Å²	188	132.1 Å²	132.1	83%	0.825	67%	0.672	S	S	*	*	S	Bend	trans	-145.4	87.1	-178.1	-74.6	-85.5	0	0	0	111.1
117	P	45.6	Very low	50.4	Low	104 Å²	104	128.7 Å²	128.7	68%	0.675	66%	0.656	S	S	*	*				-155.5	103.1	106.8	34.8	-14.1	0	0	0	114.2
118	K	42.7	Very low	51.9	Low	173 Å²	173	120.4 Å²	120.4	75%	0.752	62%	0.618	S	S	*	*	S	Bend	trans	-133.4	-34.1	170	-76.3	-171.8	175.7	176.5	0	115.8	T120	K118-T120 PolarHBondContact O-N 3.38Å
119	E	43.8	Very low	53.3	Low	174 Å²	174	117.3 Å²	117.3	81%	0.813	60%	0.599	S	S	*	*	H	α-helix	trans	-69.5	-29.4	-174.7	-62.5	-172.7	136.3	0	0	114	L123	E119-L123 PolarHBondContact O-N 2.84Å
120	T	55.8	Low	54.7	Low	94 Å²	94	115.6 Å²	115.6	58%	0.577	59%	0.587	S	S	*	*	H	α-helix	trans	-76.7	-28.2	-173.1	-27.4	0	0	0	0	114.2	K118 K124	K118-T120 PolarHBondContact O-N 3.38Å; T120-K124 WeakPolarHBondContact O-CG 3.33Å
121	E	56.1	Low	56	Low	108 Å²	108	108.4 Å²	108.4	51%	0.505	56%	0.557	S	S	.	*	H	α-helix	trans	-80.2	-41.5	177.8	-67	-154.8	148.5	0	0	111.7	L123 K124 Q125	E121-L123 VanDerWaalsContact C-N 3.29Å; E121-L123 PolarHBondContact O-N 3.09Å; E121-K124 PolarHBondContact O-N 2.63Å; E121-K124 VanDerWaalsContact O-N 3.15Å; E121-Q125 WeakPolarHBondContact O-CG 3.28Å; E121-Q125 PolarHBondContact O-N 3.47Å
122	E	57.6	Low	57.4	Low	93 Å²	93	100.8 Å²	100.8	44%	0.435	52%	0.522	S	S	.	.	H	α-helix	trans	-58.4	-40.1	177.3	-72.9	-165.3	-156.2	0	0	112.3	K124 Q125 R126	E122-K124 VanDerWaalsContact C-N 3.34Å; E122-K124 PolarHBondContact O-N 2.86Å; E122-Q125 PolarHBondContact O-N 3.48Å; E122-R126 WeakPolarHBondContact O-CB 3.29Å; E122-R126 WeakPolarHBondContact O-CG 3.45Å; E122-R126 PolarHBondContact O-N 3.18Å; E122-R126 IonicContact OE2-CZ 2.76Å; E122-R126 IonicContact OE2-NE 2.73Å; E122-R126 IonicContact OE2-NH2 3.3Å; E122-R126 PolarHBondContact OE2-NH2 3.2Å
123	L	60.6	Low	58.8	Low	120 Å²	120	99.2 Å²	99.2	63%	0.628	51%	0.513	S	S	*	.	H	α-helix	trans	-64	-39.7	178.7	-156.5	81.4	0	0	0	112	E119 E121 T127	E119-L123 PolarHBondContact O-N 2.84Å; E121-L123 VanDerWaalsContact C-N 3.29Å; E121-L123 PolarHBondContact O-N 3.09Å; L123-T127 PolarHBondContact O-N 3.29Å; L123-T127 VanDerWaalsContact O-N 3.14Å; L123-T127 PolarHBondContact O-OG1 3.28Å
124	K	62	Low	60.1	Low	99 Å²	99	94.4 Å²	94.4	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-70.4	-38.7	177.3	-67	175.8	-179.5	-179.3	0	111.7	T120 E121 E122 T127 L128 H148	T120-K124 WeakPolarHBondContact O-CG 3.33Å; E121-K124 PolarHBondContact O-N 2.63Å; E121-K124 VanDerWaalsContact O-N 3.15Å; E122-K124 VanDerWaalsContact C-N 3.34Å; E122-K124 PolarHBondContact O-N 2.86Å; K124-T127 PolarHBondContact O-N 2.82Å; K124-L128 PolarHBondContact O-N 2.9Å; K124-H148 HydrophobicContact CB-CB 4.06Å
125	Q	64.4	Low	61.5	Low	71 Å²	71	90.5 Å²	90.5	33%	0.332	46%	0.456	S	S	.	.	H	α-helix	trans	-65.2	-46.3	174	-72.9	176.5	7	0	0	112	E121 E122 T127 L128 T129 R147	E121-Q125 WeakPolarHBondContact O-CG 3.28Å; E121-Q125 PolarHBondContact O-N 3.47Å; E122-Q125 PolarHBondContact O-N 3.48Å; Q125-T127 VanDerWaalsContact C-N 3.26Å; Q125-T127 PolarHBondContact O-N 3.13Å; Q125-L128 WeakPolarHBondContact O-CB 3.42Å; Q125-L128 PolarHBondContact O-N 2.93Å; Q125-L128 VanDerWaalsContact O-N 3.15Å; Q125-T129 PolarHBondContact O-N 2.96Å; Q125-T129 PolarHBondContact O-OG1 3.33Å; Q125-R147 WeakPolarHBondContact CG-O 3.35Å
126	R	66.6	Low	62.6	Low	162 Å²	162	92 Å²	92	61%	0.611	45%	0.451	S	S	*	.	H	α-helix	trans	-58.9	-37.8	175.9	-69.7	170.1	-164.7	-167.1	8.4	112.1	E122 S130	E122-R126 WeakPolarHBondContact O-CB 3.29Å; E122-R126 WeakPolarHBondContact O-CG 3.45Å; E122-R126 PolarHBondContact O-N 3.18Å; E122-R126 IonicContact OE2-CZ 2.76Å; E122-R126 IonicContact OE2-NE 2.73Å; E122-R126 IonicContact OE2-NH2 3.3Å; E122-R126 PolarHBondContact OE2-NH2 3.2Å; R126-S130 PolarHBondContact O-N 2.84Å
127	T	67.9	Low	63.4	Low	73 Å²	73	86 Å²	86	45%	0.448	44%	0.442	S	S	.	.	H	α-helix	trans	-67.8	-42.4	176.2	-54.8	0	0	0	0	111.9	L123 K124 Q125 S130 L131	L123-T127 PolarHBondContact O-N 3.29Å; L123-T127 VanDerWaalsContact O-N 3.14Å; L123-T127 PolarHBondContact O-OG1 3.28Å; K124-T127 PolarHBondContact O-N 2.82Å; Q125-T127 VanDerWaalsContact C-N 3.26Å; Q125-T127 PolarHBondContact O-N 3.13Å; T127-S130 PolarHBondContact O-N 3.2Å; T127-L131 HydrophobicContact CG2-CD1 4.26Å; T127-L131 WeakPolarHBondContact O-CG 3.31Å; T127-L131 PolarHBondContact O-N 3.12Å
128	L	72.1	Confident	64.1	Low	12 Å²	12	81.3 Å²	81.3	6%	0.063	41%	0.412	C	S	.	.	H	α-helix	trans	-59.1	-47.1	174.2	179.1	63.6	0	0	0	111.3	K124 Q125 S130 L131 L132 R147 L149 M174	K124-L128 PolarHBondContact O-N 2.9Å; Q125-L128 WeakPolarHBondContact O-CB 3.42Å; Q125-L128 PolarHBondContact O-N 2.93Å; Q125-L128 VanDerWaalsContact O-N 3.15Å; L128-S130 PolarHBondContact O-N 2.97Å; L128-L131 PolarHBondContact O-N 3.2Å; L128-L131 VanDerWaalsContact O-N 3.1Å; L128-L132 HydrophobicContact CD1-CD1 3.97Å; L128-L132 HydrophobicContact CD1-CG 4.04Å; L128-L132 HydrophobicContact CG-CD1 3.89Å; L128-L132 HydrophobicContact CG-CG 4.32Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 2.96Å; L128-R147 HydrophobicContact CD2-CB 4.24Å; L128-L149 HydrophobicContact CB-CB 4.41Å; L128-L149 HydrophobicContact CD1-CB 4.19Å; L128-L149 HydrophobicContact CD1-CD1 4.2Å; L128-M174 HydrophobicContact CD1-CG 4.18Å; L128-M174 HydrophobicContact CD1-SD 4.11Å; L128-M174 HydrophobicContact CD2-SD 4.33Å
129	T	72.4	Confident	64.8	Low	49 Å²	49	81.4 Å²	81.4	30%	0.301	41%	0.412	S	S	.	.	H	α-helix	trans	-57.1	-48.5	178.3	-57.2	0	0	0	0	112.3	Q125 L131 L132 E133 M142	Q125-T129 PolarHBondContact O-N 2.96Å; Q125-T129 PolarHBondContact O-OG1 3.33Å; T129-L131 PolarHBondContact O-N 3.18Å; T129-L132 PolarHBondContact O-N 3.33Å; T129-E133 WeakPolarHBondContact O-CG 3.41Å; T129-E133 PolarHBondContact O-N 3.38Å; T129-M142 HydrophobicContact CG2-CE 3.74Å
130	S	72.5	Confident	65.4	Low	57 Å²	57	79.6 Å²	79.6	40%	0.399	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-20.6	179.1	-171.1	0	0	0	0	113.9	R126 T127 L128 K134	R126-S130 PolarHBondContact O-N 2.84Å; T127-S130 PolarHBondContact O-N 3.2Å; L128-S130 PolarHBondContact O-N 2.97Å; S130-K134 WeakPolarHBondContact O-CE 3.21Å; S130-K134 PolarHBondContact O-NZ 3.26Å
131	L	71.8	Confident	65.6	Low	38 Å²	38	75.7 Å²	75.7	20%	0.199	38%	0.384	C	S	.	.	H	α-helix	trans	-86.4	-40.8	174.9	-71.5	168.2	0	0	0	111.7	T127 L128 T129 E133 K134 L149 F172	T127-L131 HydrophobicContact CG2-CD1 4.26Å; T127-L131 WeakPolarHBondContact O-CG 3.31Å; T127-L131 PolarHBondContact O-N 3.12Å; L128-L131 PolarHBondContact O-N 3.2Å; L128-L131 VanDerWaalsContact O-N 3.1Å; T129-L131 PolarHBondContact O-N 3.18Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-E133 PolarHBondContact O-N 2.86Å; L131-K134 WeakPolarHBondContact O-CB 3.38Å; L131-K134 PolarHBondContact O-N 2.75Å; L131-K134 VanDerWaalsContact O-N 3.14Å; L131-L149 HydrophobicContact CD1-CD2 3.63Å; L131-F172 HydrophobicContact CB-CE1 4.1Å
132	L	71.5	Confident	65.6	Low	7 Å²	7	75.3 Å²	75.3	4%	0.037	38%	0.383	C	S	.	.	H	α-helix	trans	-66.9	-31.2	176.3	-67	177.7	0	0	0	112.9	L128 T129 K134 V135 A138 M142 L179	L128-L132 HydrophobicContact CD1-CD1 3.97Å; L128-L132 HydrophobicContact CD1-CG 4.04Å; L128-L132 HydrophobicContact CG-CD1 3.89Å; L128-L132 HydrophobicContact CG-CG 4.32Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 2.96Å; T129-L132 PolarHBondContact O-N 3.33Å; L132-K134 PolarHBondContact O-N 2.96Å; L132-V135 PolarHBondContact O-N 2.78Å; L132-A138 HydrophobicContact CB-CB 4.47Å; L132-A138 HydrophobicContact CD2-CB 4.21Å; L132-M142 HydrophobicContact CD1-CG 4Å; L132-L179 HydrophobicContact CD2-CD2 3.75Å
133	E	71.9	Confident	65.5	Low	130 Å²	130	77.4 Å²	77.4	61%	0.607	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-21	170.7	-78.9	177	172.7	0	0	114.1	T129 L131	T129-E133 WeakPolarHBondContact O-CG 3.41Å; T129-E133 PolarHBondContact O-N 3.38Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-E133 PolarHBondContact O-N 2.86Å
134	K	69.8	Low	65.4	Low	68 Å²	68	74.5 Å²	74.5	30%	0.296	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.5	178.8	-60.7	163.8	-176.8	125.4	0	112.7	S130 L131 L132 K192 Y193	S130-K134 WeakPolarHBondContact O-CE 3.21Å; S130-K134 PolarHBondContact O-NZ 3.26Å; L131-K134 WeakPolarHBondContact O-CB 3.38Å; L131-K134 PolarHBondContact O-N 2.75Å; L131-K134 VanDerWaalsContact O-N 3.14Å; L132-K134 PolarHBondContact O-N 2.96Å; K134-K192 PolarHBondContact O-N 2.92Å; K134-Y193 PolarHBondContact O-N 3.45Å
135	V	73.5	Confident	65.1	Low	9 Å²	9	75.7 Å²	75.7	6%	0.055	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.8	-176.9	-172.8	0	0	0	0	110.9	L132 G137 A138 F172 A181 Y193	L132-V135 PolarHBondContact O-N 2.78Å; V135-G137 PolarHBondContact O-N 2.92Å; V135-A138 HydrophobicContact CB-CB 4.02Å; V135-A138 HydrophobicContact CG1-CB 4.13Å; V135-F172 HydrophobicContact CG2-CE2 3.8Å; V135-F172 HydrophobicContact CG2-CZ 3.94Å; V135-A181 HydrophobicContact CG1-CB 3.96Å; V135-Y193 CarbonylContact C-O 3.49Å; V135-Y193 WeakPolarHBondContact CA-O 3.28Å; V135-Y193 HydrophobicContact CG2-CD2 4.3Å
136	E	69.3	Low	65.1	Low	104 Å²	104	74.1 Å²	74.1	49%	0.486	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.3	176.4	-141.4	-178.5	150.5	0	0	110.7	L184 V191 Y193 Y195	E136-L184 WeakPolarHBondContact OE2-CD1 3.35Å; E136-V191 HydrophobicContact CB-CG1 3.63Å; E136-V191 HydrophobicContact CG-CG1 4.03Å; E136-Y193 PolarHBondContact N-O 2.76Å; E136-Y195 WeakPolarHBondContact O-CB 3.47Å; E136-Y195 PolarHBondContact O-N 3.25Å
137	G	63.9	Low	65.4	Low	61 Å²	61	68.4 Å²	68.4	63%	0.629	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-4.4	176	0	0	0	0	0	116.2	V135 K139	V135-G137 PolarHBondContact O-N 2.92Å; G137-K139 PolarHBondContact O-N 3.39Å
138	A	59.9	Low	65.7	Low	6 Å²	6	66.4 Å²	66.4	5%	0.05	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-76.4	14.5	-172.7	0	0	0	0	0	116.5	L132 V135 N140 I141	L132-A138 HydrophobicContact CB-CB 4.47Å; L132-A138 HydrophobicContact CD2-CB 4.21Å; V135-A138 HydrophobicContact CB-CB 4.02Å; V135-A138 HydrophobicContact CG1-CB 4.13Å; A138-N140 PolarHBondContact O-N 2.76Å; A138-I141 HydrophobicContact CB-CD1 4.39Å; A138-I141 PolarHBondContact O-N 3.48Å
139	K	56.8	Low	66	Low	174 Å²	174	66.9 Å²	66.9	76%	0.757	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-64	-43.5	-171.7	-68.8	-172.3	175.9	-175	0	113.6	G137 I141 M142	G137-K139 PolarHBondContact O-N 3.39Å; K139-I141 PolarHBondContact O-N 2.9Å; K139-I141 VanDerWaalsContact O-N 3.12Å; K139-M142 PolarHBondContact O-N 2.69Å
140	N	57.4	Low	66.5	Low	137 Å²	137	67.4 Å²	67.4	73%	0.733	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-70.9	-7.9	-174.7	-60.3	17.4	0	0	0	114.1	A138	A138-N140 PolarHBondContact O-N 2.76Å
141	I	60.5	Low	67	Low	12 Å²	12	66.9 Å²	66.9	6%	0.062	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-84.2	-24.5	-179	-60	168.3	0	0	0	110.9	A138 K139 R147 M174 L179 Y195 L198	A138-I141 HydrophobicContact CB-CD1 4.39Å; A138-I141 PolarHBondContact O-N 3.48Å; K139-I141 PolarHBondContact O-N 2.9Å; K139-I141 VanDerWaalsContact O-N 3.12Å; I141-R147 PolarHBondContact O-NH1 3.47Å; I141-M174 HydrophobicContact CG2-CE 4.31Å; I141-M174 HydrophobicContact CG2-SD 4.16Å; I141-L179 HydrophobicContact CD1-CD1 4.1Å; I141-L179 HydrophobicContact CD1-CD2 4.19Å; I141-Y195 HydrophobicContact CD1-CD2 4.2Å; I141-Y195 HydrophobicContact CD1-CE2 3.97Å; I141-L198 HydrophobicContact CD1-CD1 4.15Å
142	M	55.2	Low	67.7	Low	99 Å²	99	67.9 Å²	67.9	49%	0.488	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-20.1	-177.5	-68.7	-179	58.8	0	0	114.2	T129 L132 K139 T144	T129-M142 HydrophobicContact CG2-CE 3.74Å; L132-M142 HydrophobicContact CD1-CG 4Å; K139-M142 PolarHBondContact O-N 2.69Å; M142-T144 PolarHBondContact O-N 2.73Å
143	D	56.4	Low	68.4	Low	137 Å²	137	68.2 Å²	68.2	73%	0.733	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-3.6	-176.6	-70.9	-33.9	0	0	0	113.9	P145	D143-P145 WeakPolarHBondContact O-CD 3.48Å
144	T	57.2	Low	69.2	Low	59 Å²	59	66.3 Å²	66.3	36%	0.362	37%	0.369	S	S	.	.	S	Bend	trans	-95	110.8	179.8	-49.4	0	0	0	0	111.1	M142 R147	M142-T144 PolarHBondContact O-N 2.73Å; T144-R147 VanDerWaalsContact CB-NH1 3.28Å; T144-R147 PolarHBondContact OG1-NH1 3.12Å
145	P	56.9	Low	70.1	Confident	124 Å²	124	63.4 Å²	63.4	81%	0.805	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	141.6	-177.8	27.7	-34.5	0	0	0	111.7	D143	D143-P145 WeakPolarHBondContact O-CD 3.48Å
146	G	64	Low	70.9	Confident	39 Å²	39	64.7 Å²	64.7	40%	0.402	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	4.1	177.6	0	0	0	0	0	115.7	N175	G146-N175 PolarHBondContact O-ND2 3.19Å
147	R	72.8	Confident	71.7	Confident	41 Å²	41	60.5 Å²	60.5	16%	0.155	35%	0.345	C	S	.	.			trans	-72	132.5	170.8	-77.7	-169.7	173.9	126.7	13.3	112.1	Q125 L128 I141 T144 N175 D176	Q125-R147 WeakPolarHBondContact CG-O 3.35Å; L128-R147 HydrophobicContact CD2-CB 4.24Å; I141-R147 PolarHBondContact O-NH1 3.47Å; T144-R147 VanDerWaalsContact CB-NH1 3.28Å; T144-R147 PolarHBondContact OG1-NH1 3.12Å; R147-N175 VanDerWaalsContact CA-OD1 3.3Å; R147-N175 WeakPolarHBondContact CA-OD1 3.5Å; R147-D176 IonicContact CZ-OD2 3.95Å; R147-D176 VanDerWaalsContact NE-CG 3.32Å; R147-D176 IonicContact NE-OD1 3.2Å; R147-D176 PolarHBondContact NE-OD1 2.99Å; R147-D176 IonicContact NE-OD2 3.83Å; R147-D176 PolarHBondContact NE-OD2 2.87Å; R147-D176 IonicContact NH2-OD2 3.59Å; R147-D176 PolarHBondContact NH2-OD2 2.94Å
148	H	74.4	Confident	72.8	Confident	31 Å²	31	58.7 Å²	58.7	14%	0.144	32%	0.32	C	S	.	.			trans	-136.5	150.7	169.5	71.7	73.1	0	0	0	111.2	K124 M174 N175	K124-H148 HydrophobicContact CB-CB 4.06Å; H148-M174 WeakPolarHBondContact O-CA 3.41Å; H148-N175 PolarHBondContact N-OD1 3.08Å; H148-N175 PolarHBondContact O-N 3.2Å; H148-N175 PolarHBondContact O-OD1 2.71Å
149	L	78.6	Confident	73.9	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.12	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	142.7	172.5	-167.5	68.5	0	0	0	109.9	L128 L131 N152 F172	L128-L149 HydrophobicContact CB-CB 4.41Å; L128-L149 HydrophobicContact CD1-CB 4.19Å; L128-L149 HydrophobicContact CD1-CD1 4.2Å; L131-L149 HydrophobicContact CD1-CD2 3.63Å; L149-N152 HydrophobicContact CD1-CB 4.42Å; L149-N152 HydrophobicContact CD2-CB 4.43Å; L149-F172 HydrophobicContact CD1-CB 4.18Å; L149-F172 HydrophobicContact CD1-CD1 4.38Å
150	V	81.8	Confident	74.9	Confident	59 Å²	59	54.4 Å²	54.4	36%	0.358	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-48.5	170.3	-173.9	0	0	0	0	110.4	L173 N175 I244 T248	V150-L173 HydrophobicContact CB-CG 4.4Å; V150-L173 PolarHBondContact N-O 3.46Å; V150-N175 HydrophobicContact CG2-CB 4.49Å; V150-I244 HydrophobicContact CG1-CG2 3.81Å; V150-T248 HydrophobicContact CB-CG2 4.04Å; V150-T248 HydrophobicContact CG1-CG2 3.63Å; V150-T248 HydrophobicContact CG2-CG2 3.95Å
151	Y	83.2	Confident	75.8	Confident	46 Å²	46	55.1 Å²	55.1	18%	0.18	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155.8	179.8	-168.6	-107.5	0	0	0	111.2	L173 E240 W241 I244	Y151-L173 PolarHBondContact N-O 3.36Å; Y151-L173 PolarHBondContact O-N 3.07Å; Y151-E240 PolarHBondContact OH-OE2 3.15Å; Y151-W241 AromaticContact CD1-CD2 3.93Å; Y151-W241 HydrophobicContact CD1-CD2 3.93Å; Y151-W241 AromaticContact CD1-CE2 3.82Å; Y151-W241 AromaticContact CD1-CE3 3.99Å; Y151-W241 HydrophobicContact CD1-CE3 3.99Å; Y151-W241 AromaticContact CD1-CH2 3.88Å; Y151-W241 HydrophobicContact CD1-CH2 3.88Å; Y151-W241 AromaticContact CD1-CZ2 3.81Å; Y151-W241 HydrophobicContact CD1-CZ2 3.81Å; Y151-W241 AromaticContact CD1-CZ3 3.98Å; Y151-W241 HydrophobicContact CD1-CZ3 3.98Å; Y151-W241 AromaticContact CE1-CD2 3.79Å; Y151-W241 HydrophobicContact CE1-CD2 3.79Å; Y151-W241 AromaticContact CE1-CE2 3.57Å; Y151-W241 HydrophobicContact CE1-CE3 4.33Å; Y151-W241 HydrophobicContact CE1-CG 4.11Å; Y151-W241 HydrophobicContact CE1-CH2 4.45Å; Y151-W241 AromaticContact CE1-CZ2 3.94Å; Y151-W241 HydrophobicContact CE1-CZ2 3.94Å; Y151-W241 AromaticContact CE1-NE1 3.73Å; Y151-I244 HydrophobicContact CD1-CD1 4.32Å; Y151-I244 HydrophobicContact CD2-CD1 3.42Å; Y151-I244 VanDerWaalsContact CD2-CD1 3.42Å; Y151-I244 HydrophobicContact CE2-CD1 3.65Å; Y151-I244 HydrophobicContact CG-CD1 3.77Å
152	N	85.9	Confident	76.4	Confident	60 Å²	60	59 Å²	59	32%	0.321	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	150.6	173.7	74.1	-73.7	0	0	0	111.5	L149 H170 A171 F172	L149-N152 HydrophobicContact CD1-CB 4.42Å; L149-N152 HydrophobicContact CD2-CB 4.43Å; N152-H170 PolarHBondContact ND2-NE2 2.87Å; N152-A171 VanDerWaalsContact CA-O 3.22Å; N152-A171 WeakPolarHBondContact CA-O 3.48Å; N152-F172 HydrophobicContact CB-CD1 3.77Å; N152-F172 HydrophobicContact CB-CE1 4.38Å; N152-F172 HydrophobicContact CB-CG 4.48Å
153	G	85.9	Confident	77.3	Confident	13 Å²	13	57.3 Å²	57.3	13%	0.134	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	160.8	-177.7	0	0	0	0	0	114.4	A171	G153-A171 PolarHBondContact N-O 2.98Å; G153-A171 PolarHBondContact O-N 3.3Å
154	D	88.9	Confident	78.5	Confident	90 Å²	90	53.2 Å²	53.2	48%	0.481	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138	175.9	-69	-50.2	0	0	0	111.3	H170	D154-H170 IonicContact OD1-CE1 2.94Å; D154-H170 IonicContact OD1-CG 3.91Å; D154-H170 IonicContact OD1-ND1 2.71Å; D154-H170 PolarHBondContact OD1-ND1 3.37Å
155	L	89.9	Confident	79.7	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	159.7	179.2	-63.2	171.5	0	0	0	110.2	V169 A171 F219 F230 A232 W241	L155-V169 HydrophobicContact CB-CG2 3.82Å; L155-V169 PolarHBondContact N-O 3.24Å; L155-V169 PolarHBondContact O-N 3.11Å; L155-A171 HydrophobicContact CD1-CB 3.86Å; L155-F219 HydrophobicContact CD1-CE1 4.36Å; L155-F219 HydrophobicContact CD1-CZ 3.75Å; L155-F219 HydrophobicContact CD2-CE1 3.86Å; L155-F219 HydrophobicContact CD2-CZ 4.1Å; L155-F230 HydrophobicContact CB-CB 4.42Å; L155-F230 HydrophobicContact CB-CD1 4.45Å; L155-F230 HydrophobicContact CD1-CB 4.21Å; L155-F230 HydrophobicContact CD1-CG 4.36Å; L155-A232 HydrophobicContact CD2-CB 4.18Å; L155-W241 HydrophobicContact CD1-CZ2 4.36Å
156	V	89.2	Confident	81	Confident	37 Å²	37	52.9 Å²	52.9	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.5	170.9	-173.5	0	0	0	0	109.2	F158 P165 K168 F230 Q231	V156-F158 HydrophobicContact CB-CE2 4.14Å; V156-F158 HydrophobicContact CG1-CD2 4.21Å; V156-F158 HydrophobicContact CG1-CE2 3.79Å; V156-P165 HydrophobicContact CG1-CB 4.05Å; V156-K168 HydrophobicContact CG2-CG 4.4Å; V156-F230 CarbonylContact O-C 3.57Å; V156-F230 WeakPolarHBondContact O-CA 3.32Å; V156-Q231 HydrophobicContact CB-CB 4.39Å; V156-Q231 PolarHBondContact N-O 2.68Å; V156-Q231 PolarHBondContact O-N 2.83Å
157	E	87.9	Confident	82.1	Confident	15 Å²	15	54.3 Å²	54.3	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.6	176.3	179.8	169.1	-152	0	0	111.1	I166 Q167 V169 R228 I229 F230	E157-I166 HydrophobicContact CG-CB 4.39Å; E157-I166 HydrophobicContact CG-CD1 4.32Å; E157-I166 PolarHBondContact O-N 3.31Å; E157-Q167 HydrophobicContact CB-CG 4.16Å; E157-Q167 PolarHBondContact N-O 2.87Å; E157-Q167 WeakPolarHBondContact OE2-CG 3.25Å; E157-Q167 PolarHBondContact OE2-NE2 3.4Å; E157-V169 HydrophobicContact CB-CG1 4.23Å; E157-R228 IonicContact OE1-CZ 3.06Å; E157-R228 IonicContact OE1-NE 2.67Å; E157-R228 PolarHBondContact OE1-NE 3.42Å; E157-R228 IonicContact OE1-NH2 3.63Å; E157-R228 PolarHBondContact OE1-NH2 3.35Å; E157-R228 IonicContact OE2-CZ 2.79Å; E157-R228 IonicContact OE2-NH2 3.87Å; E157-R228 PolarHBondContact OE2-NH2 2.87Å; E157-I229 WeakPolarHBondContact CA-O 3.26Å; E157-F230 HydrophobicContact CB-CD1 4.16Å; E157-F230 HydrophobicContact CB-CE1 3.99Å; E157-F230 HydrophobicContact CG-CE1 4.12Å
158	F	87	Confident	82.8	Confident	23 Å²	23	58.3 Å²	58.3	10%	0.101	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.7	177.5	-83.5	-104.9	0	0	0	111.4	V156 M163 S164 P165 M218 I229 Q231	V156-F158 HydrophobicContact CB-CE2 4.14Å; V156-F158 HydrophobicContact CG1-CD2 4.21Å; V156-F158 HydrophobicContact CG1-CE2 3.79Å; F158-M163 WeakPolarHBondContact CD1-O 3.32Å; F158-S164 WeakPolarHBondContact CA-O 3.37Å; F158-P165 HydrophobicContact CD1-CB 4.48Å; F158-P165 HydrophobicContact CE1-CB 4.03Å; F158-P165 HydrophobicContact CE1-CG 4.42Å; F158-P165 HydrophobicContact CE2-CB 4.14Å; F158-P165 HydrophobicContact CZ-CB 3.85Å; F158-P165 HydrophobicContact CZ-CG 4.48Å; F158-M218 HydrophobicContact CD1-CE 3.93Å; F158-M218 HydrophobicContact CD2-CE 4.01Å; F158-M218 HydrophobicContact CE1-CE 3.75Å; F158-M218 HydrophobicContact CE2-CE 3.84Å; F158-M218 HydrophobicContact CG-CE 4.05Å; F158-M218 HydrophobicContact CZ-CE 3.7Å; F158-I229 HydrophobicContact CB-CB 4.16Å; F158-I229 HydrophobicContact CB-CG2 4.16Å; F158-I229 PolarHBondContact N-O 3.24Å; F158-Q231 HydrophobicContact CD2-CB 4.03Å; F158-Q231 HydrophobicContact CE2-CB 3.68Å; F158-Q231 HydrophobicContact CE2-CG 4.46Å; F158-Q231 VanDerWaalsContact CE2-OE1 3.3Å
159	D	82.7	Confident	83.5	Confident	41 Å²	41	57 Å²	57	22%	0.219	31%	0.306	C	S	.	.			trans	-68.4	138	174	-169	-54.1	0	0	0	111.2	D161 N162 M163 S164 I166	D159-D161 PolarHBondContact OD1-N 2.83Å; D159-N162 WeakPolarHBondContact CB-OD1 3.23Å; D159-N162 PolarHBondContact OD1-N 3.12Å; D159-N162 PolarHBondContact OD1-ND2 3.25Å; D159-N162 PolarHBondContact OD2-ND2 3.46Å; D159-M163 WeakPolarHBondContact O-CA 3.38Å; D159-M163 PolarHBondContact O-N 2.78Å; D159-S164 PolarHBondContact N-O 3.3Å; D159-I166 HydrophobicContact CB-CD1 3.88Å; D159-I166 HydrophobicContact CB-CG1 3.99Å
160	V	77.8	Confident	83.9	Confident	49 Å²	49	56.5 Å²	56.5	30%	0.297	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-31.9	-176.7	-179.1	0	0	0	0	112.3	S227 I229	V160-S227 VanDerWaalsContact CG2-O 3.25Å; V160-S227 WeakPolarHBondContact CG2-O 3.47Å; V160-I229 HydrophobicContact CG2-CD1 4.4Å; V160-I229 HydrophobicContact CG2-CG1 4.39Å
161	D	76.3	Confident	84.2	Confident	152 Å²	152	53.8 Å²	53.8	81%	0.813	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-40.5	-171.5	-67.6	-29.7	0	0	0	112.1	D159	D159-D161 PolarHBondContact OD1-N 2.83Å
162	N	72.6	Confident	84.3	Confident	94 Å²	94	51.7 Å²	51.7	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-4.4	-176.6	66.3	54.4	0	0	0	114.9	D159 S164	D159-N162 WeakPolarHBondContact CB-OD1 3.23Å; D159-N162 PolarHBondContact OD1-N 3.12Å; D159-N162 PolarHBondContact OD1-ND2 3.25Å; D159-N162 PolarHBondContact OD2-ND2 3.46Å; N162-S164 PolarHBondContact O-N 3.45Å; N162-S164 VanDerWaalsContact O-N 3.12Å; N162-S164 WeakPolarHBondContact OD1-CB 3.39Å; N162-S164 PolarHBondContact OD1-N 3.37Å; N162-S164 PolarHBondContact OD1-OG 3.11Å
163	M	74.2	Confident	84.3	Confident	63 Å²	63	48.8 Å²	48.8	31%	0.31	26%	0.263	S	S	.	.			trans	53.9	28.8	178.4	-65.3	-76.2	166.2	0	0	114.1	F158 D159 M215 I229	F158-M163 WeakPolarHBondContact CD1-O 3.32Å; D159-M163 WeakPolarHBondContact O-CA 3.38Å; D159-M163 PolarHBondContact O-N 2.78Å; M163-M215 HydrophobicContact CE-CE 3.73Å; M163-M215 HydrophobicContact CG-CE 4.36Å; M163-M215 HydrophobicContact SD-CE 3.88Å; M163-I229 HydrophobicContact CE-CD1 3.59Å; M163-I229 HydrophobicContact SD-CD1 4.07Å
164	S	81.2	Confident	84.3	Confident	51 Å²	51	48.2 Å²	48.2	36%	0.357	26%	0.257	S	S	.	.			trans	-92.6	150.1	172	75.5	0	0	0	0	111.8	F158 D159 N162 I166	F158-S164 WeakPolarHBondContact CA-O 3.37Å; D159-S164 PolarHBondContact N-O 3.3Å; N162-S164 PolarHBondContact O-N 3.45Å; N162-S164 VanDerWaalsContact O-N 3.12Å; N162-S164 WeakPolarHBondContact OD1-CB 3.39Å; N162-S164 PolarHBondContact OD1-N 3.37Å; N162-S164 PolarHBondContact OD1-OG 3.11Å; S164-I166 PolarHBondContact O-N 2.66Å
165	P	83.6	Confident	83.9	Confident	84 Å²	84	46.1 Å²	46.1	55%	0.545	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119	176.7	28.7	-33.1	0	0	0	110.5	V156 F158	V156-P165 HydrophobicContact CG1-CB 4.05Å; F158-P165 HydrophobicContact CD1-CB 4.48Å; F158-P165 HydrophobicContact CE1-CB 4.03Å; F158-P165 HydrophobicContact CE1-CG 4.42Å; F158-P165 HydrophobicContact CE2-CB 4.14Å; F158-P165 HydrophobicContact CZ-CB 3.85Å; F158-P165 HydrophobicContact CZ-CG 4.48Å
166	I	84.1	Confident	83.5	Confident	92 Å²	92	47.4 Å²	47.4	47%	0.472	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-59	-179.6	-59.9	177.8	0	0	0	110.3	E157 D159 S164	E157-I166 HydrophobicContact CG-CB 4.39Å; E157-I166 HydrophobicContact CG-CD1 4.32Å; E157-I166 PolarHBondContact O-N 3.31Å; D159-I166 HydrophobicContact CB-CD1 3.88Å; D159-I166 HydrophobicContact CB-CG1 3.99Å; S164-I166 PolarHBondContact O-N 2.66Å
167	Q	86	Confident	83.2	Confident	69 Å²	69	45.9 Å²	45.9	32%	0.322	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158.5	-171.2	60.2	-171.2	-16.6	0	0	112.7	E157 V169 T182	E157-Q167 HydrophobicContact CB-CG 4.16Å; E157-Q167 PolarHBondContact N-O 2.87Å; E157-Q167 WeakPolarHBondContact OE2-CG 3.25Å; E157-Q167 PolarHBondContact OE2-NE2 3.4Å; Q167-V169 HydrophobicContact CG-CG1 3.94Å; Q167-T182 VanDerWaalsContact CD-CG2 3.4Å; Q167-T182 HydrophobicContact CG-CG2 4.33Å
168	K	86.9	Confident	83.1	Confident	126 Å²	126	45.3 Å²	45.3	55%	0.548	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.7	168.6	-63.3	-166.7	175.3	-168.9	0	110.1	V156 W183	V156-K168 HydrophobicContact CG2-CG 4.4Å; K168-W183 HydrophobicContact CB-CB 4.41Å; K168-W183 HydrophobicContact CB-CE3 3.87Å; K168-W183 HydrophobicContact CD-CE3 3.81Å; K168-W183 HydrophobicContact CD-CZ3 3.86Å; K168-W183 HydrophobicContact CG-CE3 4.48Å; K168-W183 PolarHBondContact O-N 3.46Å; K168-W183 VanDerWaalsContact O-N 3.09Å
169	V	89.6	Confident	83	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.5	-179.7	-52.8	0	0	0	0	110.5	L155 E157 Q167 I180 A181 T182 F230	L155-V169 HydrophobicContact CB-CG2 3.82Å; L155-V169 PolarHBondContact N-O 3.24Å; L155-V169 PolarHBondContact O-N 3.11Å; E157-V169 HydrophobicContact CB-CG1 4.23Å; Q167-V169 HydrophobicContact CG-CG1 3.94Å; V169-I180 HydrophobicContact CB-CG2 3.84Å; V169-I180 HydrophobicContact CG1-CG2 4.14Å; V169-I180 HydrophobicContact CG2-CG2 4.07Å; V169-A181 CarbonylContact C-O 3.55Å; V169-A181 WeakPolarHBondContact CA-O 3.37Å; V169-A181 WeakPolarHBondContact CB-O 3.27Å; V169-T182 HydrophobicContact CG1-CG2 4.01Å; V169-F230 HydrophobicContact CG2-CD1 4.02Å; V169-F230 HydrophobicContact CG2-CE1 3.96Å
170	H	87.1	Confident	83.2	Confident	13 Å²	13	42.3 Å²	42.3	6%	0.06	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.4	167.8	-159.8	90.4	0	0	0	107.8	N152 D154 F172 A181 Y193	N152-H170 PolarHBondContact ND2-NE2 2.87Å; D154-H170 IonicContact OD1-CE1 2.94Å; D154-H170 IonicContact OD1-CG 3.91Å; D154-H170 IonicContact OD1-ND1 2.71Å; D154-H170 PolarHBondContact OD1-ND1 3.37Å; H170-F172 HydrophobicContact CB-CE2 4.39Å; H170-F172 AromaticContact CD2-CD1 3.93Å; H170-F172 AromaticContact CD2-CD2 3.99Å; H170-F172 AromaticContact CD2-CE1 3.47Å; H170-F172 VanDerWaalsContact CD2-CE1 3.47Å; H170-F172 WeakPolarHBondContact CD2-CE1 3.44Å; H170-F172 AromaticContact CD2-CE2 3.56Å; H170-F172 AromaticContact CD2-CZ 3.29Å; H170-F172 WeakPolarHBondContact CD2-CZ 3.31Å; H170-F172 AromaticContact NE2-CE1 3.72Å; H170-F172 AromaticContact NE2-CZ 3.95Å; H170-A181 PolarHBondContact N-O 3.38Å; H170-A181 PolarHBondContact O-N 2.79Å; H170-Y193 HydrophobicContact CB-CD1 4.15Å; H170-Y193 HydrophobicContact CB-CE1 4.02Å; H170-Y193 HydrophobicContact CB-CE2 4.46Å; H170-Y193 HydrophobicContact CB-CG 4.45Å
171	A	87.7	Confident	83.6	Confident	2 Å²	2	40 Å²	40	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.6	177.6	0	0	0	0	0	110	N152 G153 L155 L178 L179 W241	N152-A171 VanDerWaalsContact CA-O 3.22Å; N152-A171 WeakPolarHBondContact CA-O 3.48Å; G153-A171 PolarHBondContact N-O 2.98Å; G153-A171 PolarHBondContact O-N 3.3Å; L155-A171 HydrophobicContact CD1-CB 3.86Å; A171-L178 HydrophobicContact CB-CD1 4.36Å; A171-L179 CarbonylContact C-O 3.56Å; A171-L179 WeakPolarHBondContact CA-O 3.21Å; A171-W241 HydrophobicContact CB-CH2 3.46Å; A171-W241 VanDerWaalsContact CB-CH2 3.46Å; A171-W241 HydrophobicContact CB-CZ2 3.73Å; A171-W241 HydrophobicContact CB-CZ3 4.33Å
172	F	86.3	Confident	84.1	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.4	174.3	-55.7	-91.6	0	0	0	108.6	L131 V135 L149 N152 H170 L179 A181 Y193	L131-F172 HydrophobicContact CB-CE1 4.1Å; V135-F172 HydrophobicContact CG2-CE2 3.8Å; V135-F172 HydrophobicContact CG2-CZ 3.94Å; L149-F172 HydrophobicContact CD1-CB 4.18Å; L149-F172 HydrophobicContact CD1-CD1 4.38Å; N152-F172 HydrophobicContact CB-CD1 3.77Å; N152-F172 HydrophobicContact CB-CE1 4.38Å; N152-F172 HydrophobicContact CB-CG 4.48Å; H170-F172 HydrophobicContact CB-CE2 4.39Å; H170-F172 AromaticContact CD2-CD1 3.93Å; H170-F172 AromaticContact CD2-CD2 3.99Å; H170-F172 AromaticContact CD2-CE1 3.47Å; H170-F172 VanDerWaalsContact CD2-CE1 3.47Å; H170-F172 WeakPolarHBondContact CD2-CE1 3.44Å; H170-F172 AromaticContact CD2-CE2 3.56Å; H170-F172 AromaticContact CD2-CZ 3.29Å; H170-F172 WeakPolarHBondContact CD2-CZ 3.31Å; H170-F172 AromaticContact NE2-CE1 3.72Å; H170-F172 AromaticContact NE2-CZ 3.95Å; F172-L179 HydrophobicContact CB-CB 4.23Å; F172-L179 HydrophobicContact CB-CD2 4.43Å; F172-L179 HydrophobicContact CD2-CD2 3.85Å; F172-L179 HydrophobicContact CD2-CG 4.11Å; F172-L179 HydrophobicContact CG-CD2 4.43Å; F172-L179 PolarHBondContact N-O 2.95Å; F172-L179 PolarHBondContact O-N 3.07Å; F172-A181 HydrophobicContact CE2-CB 4.23Å; F172-Y193 HydrophobicContact CZ-CD2 4.47Å
173	L	85.8	Confident	84.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.2	176.4	177.6	58	0	0	0	109.3	V150 Y151 L178 L201 W241 I244 L245 T248	V150-L173 HydrophobicContact CB-CG 4.4Å; V150-L173 PolarHBondContact N-O 3.46Å; Y151-L173 PolarHBondContact N-O 3.36Å; Y151-L173 PolarHBondContact O-N 3.07Å; L173-L178 HydrophobicContact CB-CD1 4.1Å; L173-L178 HydrophobicContact CD1-CB 4.43Å; L173-L178 HydrophobicContact CD1-CD1 4.3Å; L173-L201 HydrophobicContact CD1-CD2 3.85Å; L173-W241 HydrophobicContact CB-CZ3 4.07Å; L173-W241 HydrophobicContact CD2-CZ3 4.42Å; L173-I244 HydrophobicContact CD2-CG2 3.81Å; L173-L245 HydrophobicContact CD1-CD2 3.72Å; L173-L245 HydrophobicContact CD2-CD2 3.71Å; L173-L245 HydrophobicContact CD2-CG 4.06Å; L173-L245 HydrophobicContact CG-CD2 4.31Å; L173-T248 HydrophobicContact CD2-CG2 4.04Å; L173-T248 HydrophobicContact CG-CG2 4.25Å
174	M	85.8	Confident	84.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	176.7	172.7	-66.8	166	-80.1	0	0	109.9	L128 I141 H148 D176 C177 L179 L198	L128-M174 HydrophobicContact CD1-CG 4.18Å; L128-M174 HydrophobicContact CD1-SD 4.11Å; L128-M174 HydrophobicContact CD2-SD 4.33Å; I141-M174 HydrophobicContact CG2-CE 4.31Å; I141-M174 HydrophobicContact CG2-SD 4.16Å; H148-M174 WeakPolarHBondContact O-CA 3.41Å; M174-D176 VanDerWaalsContact C-N 3.28Å; M174-D176 PolarHBondContact O-N 3.36Å; M174-C177 WeakPolarHBondContact CB-O 3.42Å; M174-C177 WeakPolarHBondContact CE-SG 3.24Å; M174-C177 PolarHBondContact N-O 3.45Å; M174-L179 HydrophobicContact CE-CB 3.74Å; M174-L198 HydrophobicContact CE-CD1 4.12Å
175	N	81.4	Confident	83.8	Confident	47 Å²	47	37.2 Å²	37.2	25%	0.251	19%	0.193	S	C	.	.	S	Bend	trans	-67.6	-21.2	179.4	57.1	-38.6	0	0	0	114.9	G146 R147 H148 V150 L201	G146-N175 PolarHBondContact O-ND2 3.19Å; R147-N175 VanDerWaalsContact CA-OD1 3.3Å; R147-N175 WeakPolarHBondContact CA-OD1 3.5Å; H148-N175 PolarHBondContact N-OD1 3.08Å; H148-N175 PolarHBondContact O-N 3.2Å; H148-N175 PolarHBondContact O-OD1 2.71Å; V150-N175 HydrophobicContact CG2-CB 4.49Å; N175-L201 WeakPolarHBondContact O-CD1 3.26Å
176	D	80.9	Confident	82.7	Confident	34 Å²	34	39.2 Å²	39.2	18%	0.182	20%	0.2	C	C	.	.	S	Bend	trans	-121.2	-22.1	-179.5	68.2	-30.3	0	0	0	114.1	R147 M174 L201	R147-D176 IonicContact CZ-OD2 3.95Å; R147-D176 VanDerWaalsContact NE-CG 3.32Å; R147-D176 IonicContact NE-OD1 3.2Å; R147-D176 PolarHBondContact NE-OD1 2.99Å; R147-D176 IonicContact NE-OD2 3.83Å; R147-D176 PolarHBondContact NE-OD2 2.87Å; R147-D176 IonicContact NH2-OD2 3.59Å; R147-D176 PolarHBondContact NH2-OD2 2.94Å; M174-D176 VanDerWaalsContact C-N 3.28Å; M174-D176 PolarHBondContact O-N 3.36Å; D176-L201 WeakPolarHBondContact O-CG 3.37Å; D176-L201 PolarHBondContact O-N 3.36Å
177	C	82.8	Confident	81.5	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	157	-174	57.4	0	0	0	0	114.6	M174 L198 Y199	M174-C177 WeakPolarHBondContact CB-O 3.42Å; M174-C177 WeakPolarHBondContact CE-SG 3.24Å; M174-C177 PolarHBondContact N-O 3.45Å; C177-L198 HydrophobicContact CB-CD1 4.11Å; C177-L198 HydrophobicContact CB-CG 4.26Å; C177-Y199 CarbonylContact C-O 3.47Å; C177-Y199 WeakPolarHBondContact CA-O 3.41Å; C177-Y199 VanDerWaalsContact CB-O 3.23Å; C177-Y199 WeakPolarHBondContact CB-O 3.17Å
178	L	85.1	Confident	79.9	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.3	174.1	177.6	65	0	0	0	109.5	A171 L173 Y199 F204 I221 W241 L245	A171-L178 HydrophobicContact CB-CD1 4.36Å; L173-L178 HydrophobicContact CB-CD1 4.1Å; L173-L178 HydrophobicContact CD1-CB 4.43Å; L173-L178 HydrophobicContact CD1-CD1 4.3Å; L178-Y199 PolarHBondContact N-O 3.48Å; L178-Y199 PolarHBondContact O-N 2.64Å; L178-F204 HydrophobicContact CB-CE1 4Å; L178-F204 HydrophobicContact CB-CZ 3.84Å; L178-F204 HydrophobicContact CD2-CE1 4.33Å; L178-F204 HydrophobicContact CD2-CE2 3.98Å; L178-F204 HydrophobicContact CD2-CZ 3.66Å; L178-F204 HydrophobicContact CG-CZ 4.41Å; L178-I221 HydrophobicContact CD2-CD1 3.79Å; L178-W241 HydrophobicContact CD1-CZ3 4.18Å; L178-L245 HydrophobicContact CD2-CD2 4.3Å
179	L	85.2	Confident	78.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.7	175.5	168.9	66.5	0	0	0	110.1	L132 I141 A171 F172 M174 Y195 L198	L132-L179 HydrophobicContact CD2-CD2 3.75Å; I141-L179 HydrophobicContact CD1-CD1 4.1Å; I141-L179 HydrophobicContact CD1-CD2 4.19Å; A171-L179 CarbonylContact C-O 3.56Å; A171-L179 WeakPolarHBondContact CA-O 3.21Å; F172-L179 HydrophobicContact CB-CB 4.23Å; F172-L179 HydrophobicContact CB-CD2 4.43Å; F172-L179 HydrophobicContact CD2-CD2 3.85Å; F172-L179 HydrophobicContact CD2-CG 4.11Å; F172-L179 HydrophobicContact CG-CD2 4.43Å; F172-L179 PolarHBondContact N-O 2.95Å; F172-L179 PolarHBondContact O-N 3.07Å; M174-L179 HydrophobicContact CE-CB 3.74Å; L179-Y195 HydrophobicContact CD1-CD2 3.46Å; L179-Y195 VanDerWaalsContact CD1-CD2 3.46Å; L179-Y195 HydrophobicContact CD1-CE2 3.52Å; L179-L198 HydrophobicContact CB-CD1 3.89Å; L179-L198 HydrophobicContact CD1-CD1 4.25Å
180	I	86.8	Confident	77.3	Confident	2 Å²	2	54 Å²	54	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.9	170.6	-57.7	-166.6	0	0	0	109.1	V169 N196 A197 Y199 F230	V169-I180 HydrophobicContact CB-CG2 3.84Å; V169-I180 HydrophobicContact CG1-CG2 4.14Å; V169-I180 HydrophobicContact CG2-CG2 4.07Å; I180-N196 WeakPolarHBondContact O-CB 3.43Å; I180-N196 PolarHBondContact O-N 3.42Å; I180-N196 VanDerWaalsContact O-N 3.1Å; I180-A197 PolarHBondContact N-O 2.78Å; I180-A197 PolarHBondContact O-N 2.91Å; I180-A197 VanDerWaalsContact O-N 3.08Å; I180-Y199 HydrophobicContact CD1-CD2 4.38Å; I180-Y199 HydrophobicContact CD1-CE2 3.81Å; I180-Y199 HydrophobicContact CG1-CD2 4.47Å; I180-Y199 HydrophobicContact CG1-CE2 4.15Å; I180-F230 HydrophobicContact CD1-CE1 4.05Å; I180-F230 HydrophobicContact CD1-CE2 3.98Å; I180-F230 HydrophobicContact CD1-CZ 3.43Å; I180-F230 VanDerWaalsContact CD1-CZ 3.43Å
181	A	87.3	Confident	76.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.3	175.4	0	0	0	0	0	110.9	V135 V169 H170 F172 K194	V135-A181 HydrophobicContact CG1-CB 3.96Å; V169-A181 CarbonylContact C-O 3.55Å; V169-A181 WeakPolarHBondContact CA-O 3.37Å; V169-A181 WeakPolarHBondContact CB-O 3.27Å; H170-A181 PolarHBondContact N-O 3.38Å; H170-A181 PolarHBondContact O-N 2.79Å; F172-A181 HydrophobicContact CE2-CB 4.23Å; A181-K194 CarbonylContact C-O 3.43Å; A181-K194 WeakPolarHBondContact CA-O 3.4Å; A181-K194 WeakPolarHBondContact CB-O 3.4Å
182	T	85.1	Confident	75.5	Confident	19 Å²	19	60.7 Å²	60.7	12%	0.117	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	148.9	-179.5	50	0	0	0	0	111.6	Q167 V169 L184 Y193 K194 N196	Q167-T182 VanDerWaalsContact CD-CG2 3.4Å; Q167-T182 HydrophobicContact CG-CG2 4.33Å; V169-T182 HydrophobicContact CG1-CG2 4.01Å; T182-L184 PolarHBondContact O-N 2.93Å; T182-Y193 CarbonylContact O-C 3.58Å; T182-Y193 VanDerWaalsContact O-CA 3.25Å; T182-Y193 WeakPolarHBondContact O-CA 3.48Å; T182-K194 PolarHBondContact N-O 2.91Å; T182-K194 PolarHBondContact O-N 3.47Å; T182-K194 PolarHBondContact OG1-O 3.12Å; T182-N196 HydrophobicContact CG2-CB 3.74Å; T182-N196 VanDerWaalsContact CG2-ND2 3.25Å; T182-N196 WeakPolarHBondContact CG2-ND2 3.22Å
183	W	82.7	Confident	75.2	Confident	112 Å²	112	62.4 Å²	62.4	42%	0.424	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.4	179.4	-156.8	-22.2	0	0	0	111.3	K168 P185	K168-W183 HydrophobicContact CB-CB 4.41Å; K168-W183 HydrophobicContact CB-CE3 3.87Å; K168-W183 HydrophobicContact CD-CE3 3.81Å; K168-W183 HydrophobicContact CD-CZ3 3.86Å; K168-W183 HydrophobicContact CG-CE3 4.48Å; K168-W183 PolarHBondContact O-N 3.46Å; K168-W183 VanDerWaalsContact O-N 3.09Å; W183-P185 WeakPolarHBondContact O-CD 3.41Å
184	L	78.4	Confident	75	Confident	42 Å²	42	67.9 Å²	67.9	22%	0.22	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-72.9	121.9	171.6	-95.1	150	0	0	0	111.1	E136 T182 V191 K192 K194	E136-L184 WeakPolarHBondContact OE2-CD1 3.35Å; T182-L184 PolarHBondContact O-N 2.93Å; L184-V191 HydrophobicContact CD1-CG1 4.24Å; L184-K192 PolarHBondContact N-O 3.27Å; L184-K194 HydrophobicContact CD1-CB 3.87Å; L184-K194 HydrophobicContact CG-CB 4.08Å
185	P	62.2	Low	74.7	Confident	128 Å²	128	72 Å²	72	83%	0.831	36%	0.357	S	S	*	.	S	Bend	trans	-73.8	-25.6	178.6	27.9	-33.9	0	0	0	113.2	W183	W183-P185 WeakPolarHBondContact O-CD 3.41Å
186	N	59.7	Low	74.8	Confident	126 Å²	126	72.7 Å²	72.7	67%	0.674	36%	0.361	S	S	*	.	S	Bend	trans	-109.5	96.5	-174.1	-150.6	-0.3	0	0	0	110.7	R188	N186-R188 PolarHBondContact O-N 3.34Å
187	R	59.6	Low	74.7	Confident	197 Å²	197	71.8 Å²	71.8	74%	0.743	36%	0.358	S	S	*	.			trans	-72.7	110.1	-169.6	-61.7	179.9	-176.7	-179.5	0.8	112
188	R	51.7	Low	74.7	Confident	216 Å²	216	74.5 Å²	74.5	82%	0.815	37%	0.372	S	S	*	.			trans	-113.9	103.1	167.2	-70.3	-171.7	179.9	-166.7	1.6	110.4	N186	N186-R188 PolarHBondContact O-N 3.34Å
189	G	61.3	Low	74.6	Confident	75 Å²	75	75.5 Å²	75.5	77%	0.773	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-146.2	173.6	0	0	0	0	0	114.9	V191	G189-V191 VanDerWaalsContact C-N 3.31Å
190	T	59.8	Low	74.4	Confident	113 Å²	113	78.9 Å²	78.9	69%	0.693	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-17	-176.5	44.5	0	0	0	0	114.2
191	V	68.4	Low	74	Confident	38 Å²	38	79 Å²	79	23%	0.23	40%	0.395	C	S	.	.			trans	-77.8	123.5	-177.9	-177.9	0	0	0	0	110.1	E136 L184 G189	E136-V191 HydrophobicContact CB-CG1 3.63Å; E136-V191 HydrophobicContact CG-CG1 4.03Å; L184-V191 HydrophobicContact CD1-CG1 4.24Å; G189-V191 VanDerWaalsContact C-N 3.31Å
192	K	70.3	Confident	73.5	Confident	117 Å²	117	85.4 Å²	85.4	51%	0.509	43%	0.425	S	S	.	.			trans	-114.1	-25.8	-177.8	-67.5	-175	179.2	-178.7	0	113.4	K134 L184	K134-K192 PolarHBondContact O-N 2.92Å; L184-K192 PolarHBondContact N-O 3.27Å
193	Y	79.8	Confident	73.1	Confident	37 Å²	37	87.6 Å²	87.6	15%	0.145	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.7	-176.1	-47.3	-67.6	0	0	0	110.4	K134 V135 E136 H170 F172 T182	K134-Y193 PolarHBondContact O-N 3.45Å; V135-Y193 CarbonylContact C-O 3.49Å; V135-Y193 WeakPolarHBondContact CA-O 3.28Å; V135-Y193 HydrophobicContact CG2-CD2 4.3Å; E136-Y193 PolarHBondContact N-O 2.76Å; H170-Y193 HydrophobicContact CB-CD1 4.15Å; H170-Y193 HydrophobicContact CB-CE1 4.02Å; H170-Y193 HydrophobicContact CB-CE2 4.46Å; H170-Y193 HydrophobicContact CB-CG 4.45Å; F172-Y193 HydrophobicContact CZ-CD2 4.47Å; T182-Y193 CarbonylContact O-C 3.58Å; T182-Y193 VanDerWaalsContact O-CA 3.25Å; T182-Y193 WeakPolarHBondContact O-CA 3.48Å
194	K	79.9	Confident	73.1	Confident	115 Å²	115	82.7 Å²	82.7	50%	0.5	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.9	172.1	-169.8	-174.1	177.6	-172.9	0	108.8	A181 T182 L184 N196	A181-K194 CarbonylContact C-O 3.43Å; A181-K194 WeakPolarHBondContact CA-O 3.4Å; A181-K194 WeakPolarHBondContact CB-O 3.4Å; T182-K194 PolarHBondContact N-O 2.91Å; T182-K194 PolarHBondContact O-N 3.47Å; T182-K194 PolarHBondContact OG1-O 3.12Å; L184-K194 HydrophobicContact CD1-CB 3.87Å; L184-K194 HydrophobicContact CG-CB 4.08Å; K194-N196 PolarHBondContact O-N 2.85Å
195	Y	80.9	Confident	73.3	Confident	86 Å²	86	83 Å²	83	34%	0.337	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	130.4	168.7	175.8	-85.4	0	0	0	110.5	E136 I141 L179 L198	E136-Y195 WeakPolarHBondContact O-CB 3.47Å; E136-Y195 PolarHBondContact O-N 3.25Å; I141-Y195 HydrophobicContact CD1-CD2 4.2Å; I141-Y195 HydrophobicContact CD1-CE2 3.97Å; L179-Y195 HydrophobicContact CD1-CD2 3.46Å; L179-Y195 VanDerWaalsContact CD1-CD2 3.46Å; L179-Y195 HydrophobicContact CD1-CE2 3.52Å; Y195-L198 HydrophobicContact CE2-CB 4.11Å; Y195-L198 VanDerWaalsContact OH-CB 3.29Å; Y195-L198 WeakPolarHBondContact OH-CB 3.47Å; Y195-L198 PolarHBondContact OH-N 3.11Å
196	N	82.4	Confident	74.3	Confident	63 Å²	63	79 Å²	79	34%	0.337	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-60.8	175	-178.4	2.7	0	0	0	110.5	I180 T182 K194 R228	I180-N196 WeakPolarHBondContact O-CB 3.43Å; I180-N196 PolarHBondContact O-N 3.42Å; I180-N196 VanDerWaalsContact O-N 3.1Å; T182-N196 HydrophobicContact CG2-CB 3.74Å; T182-N196 VanDerWaalsContact CG2-ND2 3.25Å; T182-N196 WeakPolarHBondContact CG2-ND2 3.22Å; K194-N196 PolarHBondContact O-N 2.85Å; N196-R228 PolarHBondContact ND2-NH2 3.43Å; N196-R228 VanDerWaalsContact ND2-NH2 3.14Å
197	A	80.4	Confident	75.5	Confident	15 Å²	15	76 Å²	76	12%	0.124	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	150.5	-179	0	0	0	0	0	112.8	I180 Y199	I180-A197 PolarHBondContact N-O 2.78Å; I180-A197 PolarHBondContact O-N 2.91Å; I180-A197 VanDerWaalsContact O-N 3.08Å; A197-Y199 HydrophobicContact CB-CE1 4.02Å; A197-Y199 HydrophobicContact CB-CE2 3.92Å; A197-Y199 WeakPolarHBondContact CB-OH 3.23Å
198	L	82.6	Confident	76.7	Confident	61 Å²	61	71 Å²	71	32%	0.319	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.2	170	-172.5	80.5	0	0	0	108	I141 M174 C177 L179 Y195	I141-L198 HydrophobicContact CD1-CD1 4.15Å; M174-L198 HydrophobicContact CE-CD1 4.12Å; C177-L198 HydrophobicContact CB-CD1 4.11Å; C177-L198 HydrophobicContact CB-CG 4.26Å; L179-L198 HydrophobicContact CB-CD1 3.89Å; L179-L198 HydrophobicContact CD1-CD1 4.25Å; Y195-L198 HydrophobicContact CE2-CB 4.11Å; Y195-L198 VanDerWaalsContact OH-CB 3.29Å; Y195-L198 WeakPolarHBondContact OH-CB 3.47Å; Y195-L198 PolarHBondContact OH-N 3.11Å
199	Y	82.1	Confident	78.1	Confident	24 Å²	24	62 Å²	62	9%	0.094	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.8	178.4	-55.5	-60.4	0	0	0	110.3	C177 L178 I180 A197 F204 M223 R228	C177-Y199 CarbonylContact C-O 3.47Å; C177-Y199 WeakPolarHBondContact CA-O 3.41Å; C177-Y199 VanDerWaalsContact CB-O 3.23Å; C177-Y199 WeakPolarHBondContact CB-O 3.17Å; L178-Y199 PolarHBondContact N-O 3.48Å; L178-Y199 PolarHBondContact O-N 2.64Å; I180-Y199 HydrophobicContact CD1-CD2 4.38Å; I180-Y199 HydrophobicContact CD1-CE2 3.81Å; I180-Y199 HydrophobicContact CG1-CD2 4.47Å; I180-Y199 HydrophobicContact CG1-CE2 4.15Å; A197-Y199 HydrophobicContact CB-CE1 4.02Å; A197-Y199 HydrophobicContact CB-CE2 3.92Å; A197-Y199 WeakPolarHBondContact CB-OH 3.23Å; Y199-F204 HydrophobicContact CG-CD1 4.46Å; Y199-M223 HydrophobicContact CD1-CE 4.37Å; Y199-M223 HydrophobicContact CD1-SD 4.37Å; Y199-M223 HydrophobicContact CE1-CE 3.43Å; Y199-M223 VanDerWaalsContact CE1-CE 3.43Å; Y199-M223 HydrophobicContact CE1-SD 3.52Å; Y199-M223 VanDerWaalsContact CE1-SD 3.52Å; Y199-M223 HydrophobicContact CE2-SD 4.37Å; Y199-M223 VanDerWaalsContact CZ-SD 3.5Å; Y199-M223 PolarHBondContact OH-SD 2.79Å; Y199-M223 VanDerWaalsContact OH-SD 3.34Å; Y199-R228 WeakPolarHBondContact OH-CD 3.43Å; Y199-R228 PolarHBondContact OH-NH1 2.96Å
200	D	80.7	Confident	78.8	Confident	71 Å²	71	67.2 Å²	67.2	38%	0.38	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	143.6	167.8	-164.9	-45	0	0	0	108.7	E202 S203 F204 K252	D200-E202 PolarHBondContact O-N 2.81Å; D200-E202 VanDerWaalsContact O-N 3.08Å; D200-E202 PolarHBondContact OD1-N 2.96Å; D200-S203 PolarHBondContact N-OG 2.98Å; D200-S203 PolarHBondContact O-N 3.37Å; D200-S203 PolarHBondContact O-OG 3.33Å; D200-S203 VanDerWaalsContact O-OG 3.05Å; D200-F204 WeakPolarHBondContact O-CD1 3.31Å; D200-F204 VanDerWaalsContact O-CE1 3.22Å; D200-F204 WeakPolarHBondContact O-CE1 3.38Å; D200-K252 IonicContact OD1-NZ 2.74Å; D200-K252 PolarHBondContact OD1-NZ 2.8Å; D200-K252 IonicContact OD2-NZ 3.1Å
201	L	78.8	Confident	79.5	Confident	5 Å²	5	66 Å²	66	3%	0.026	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.7	177.2	-69.6	174.3	0	0	0	113.8	L173 N175 D176 F204 K249 K252	L173-L201 HydrophobicContact CD1-CD2 3.85Å; N175-L201 WeakPolarHBondContact O-CD1 3.26Å; D176-L201 WeakPolarHBondContact O-CG 3.37Å; D176-L201 PolarHBondContact O-N 3.36Å; L201-F204 HydrophobicContact CD2-CE1 4.29Å; L201-F204 HydrophobicContact CD2-CZ 4Å; L201-K249 HydrophobicContact CB-CG 4.24Å; L201-K249 HydrophobicContact CD2-CG 4.31Å; L201-K249 PolarHBondContact O-NZ 2.88Å; L201-K252 HydrophobicContact CB-CD 4.21Å; L201-K252 HydrophobicContact CD1-CD 4.42Å
202	E	76.1	Confident	79.5	Confident	134 Å²	134	69.4 Å²	69.4	63%	0.626	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-26.8	172.8	-75.9	164.1	-115.9	0	0	114.1	D200 F204 K252	D200-E202 PolarHBondContact O-N 2.81Å; D200-E202 VanDerWaalsContact O-N 3.08Å; D200-E202 PolarHBondContact OD1-N 2.96Å; E202-F204 VanDerWaalsContact C-N 3.31Å; E202-F204 PolarHBondContact O-N 3.27Å; E202-K252 IonicContact OE1-NZ 3.17Å; E202-K252 PolarHBondContact OE1-NZ 3.47Å
203	S	77.5	Confident	79.1	Confident	64 Å²	64	69.5 Å²	69.5	45%	0.448	37%	0.368	S	S	.	.	S	Bend	trans	-82.3	-2.9	-165.9	77	0	0	0	0	114.9	D200	D200-S203 PolarHBondContact N-OG 2.98Å; D200-S203 PolarHBondContact O-N 3.37Å; D200-S203 PolarHBondContact O-OG 3.33Å; D200-S203 VanDerWaalsContact O-OG 3.05Å
204	F	82.4	Confident	78.3	Confident	9 Å²	9	72.9 Å²	72.9	4%	0.039	39%	0.394	C	S	.	.			trans	-143.1	148.2	-176.2	68.8	-88.6	0	0	0	113.5	L178 Y199 D200 L201 E202 V206 I221 L222 M223 L245 K249	L178-F204 HydrophobicContact CB-CE1 4Å; L178-F204 HydrophobicContact CB-CZ 3.84Å; L178-F204 HydrophobicContact CD2-CE1 4.33Å; L178-F204 HydrophobicContact CD2-CE2 3.98Å; L178-F204 HydrophobicContact CD2-CZ 3.66Å; L178-F204 HydrophobicContact CG-CZ 4.41Å; Y199-F204 HydrophobicContact CG-CD1 4.46Å; D200-F204 WeakPolarHBondContact O-CD1 3.31Å; D200-F204 VanDerWaalsContact O-CE1 3.22Å; D200-F204 WeakPolarHBondContact O-CE1 3.38Å; L201-F204 HydrophobicContact CD2-CE1 4.29Å; L201-F204 HydrophobicContact CD2-CZ 4Å; E202-F204 VanDerWaalsContact C-N 3.31Å; E202-F204 PolarHBondContact O-N 3.27Å; F204-V206 HydrophobicContact CD2-CG2 3.79Å; F204-V206 HydrophobicContact CE2-CG2 3.61Å; F204-I221 HydrophobicContact CB-CG2 3.72Å; F204-I221 HydrophobicContact CD2-CD1 4.5Å; F204-I221 HydrophobicContact CD2-CG2 3.71Å; F204-I221 HydrophobicContact CE2-CD1 4.48Å; F204-I221 HydrophobicContact CG-CG2 3.95Å; F204-L222 CarbonylContact C-O 3.36Å; F204-L222 VanDerWaalsContact CA-O 3.25Å; F204-L222 WeakPolarHBondContact CA-O 3.39Å; F204-L222 WeakPolarHBondContact CB-O 3.27Å; F204-M223 HydrophobicContact CB-CB 4.22Å; F204-L245 HydrophobicContact CE2-CD2 4.39Å; F204-L245 HydrophobicContact CZ-CD2 4.34Å; F204-K249 PolarHBondContact O-NZ 2.81Å
205	A	82.1	Confident	77.8	Confident	50 Å²	50	70.1 Å²	70.1	41%	0.413	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.5	169.8	0	0	0	0	0	110.7	I221 L222	A205-I221 WeakPolarHBondContact O-CA 3.33Å; A205-L222 HydrophobicContact CB-CB 4.36Å; A205-L222 PolarHBondContact N-O 3.26Å; A205-L222 PolarHBondContact O-N 2.8Å
206	V	84.2	Confident	77.7	Confident	42 Å²	42	72.3 Å²	72.3	26%	0.255	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.8	-179.7	-168.7	0	0	0	0	109.1	F204 F219 L242 L245	F204-V206 HydrophobicContact CD2-CG2 3.79Å; F204-V206 HydrophobicContact CE2-CG2 3.61Å; V206-F219 HydrophobicContact CG1-CD2 4.04Å; V206-L242 HydrophobicContact CG1-CD2 3.57Å; V206-L245 HydrophobicContact CG1-CD1 4.33Å; V206-L245 HydrophobicContact CG2-CD1 4.18Å
207	V	84	Confident	77.7	Confident	65 Å²	65	70 Å²	70	39%	0.394	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.3	-176.9	178.2	0	0	0	0	109.8	V209 K220 L222	V207-V209 PolarHBondContact O-N 3.35Å; V207-K220 HydrophobicContact CB-CB 4.41Å; V207-K220 PolarHBondContact N-O 2.83Å; V207-K220 PolarHBondContact O-N 2.81Å; V207-L222 HydrophobicContact CG2-CD1 3.56Å; V207-L222 HydrophobicContact CG2-CG 4.15Å
208	N	84.9	Confident	78	Confident	92 Å²	92	69.6 Å²	69.6	49%	0.492	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.8	173.3	-175.9	0.1	0	0	0	110.2	K238 L242	N208-K238 WeakPolarHBondContact OD1-CE 3.33Å; N208-K238 PolarHBondContact OD1-NZ 3.47Å; N208-K238 VanDerWaalsContact OD1-NZ 3.09Å; N208-L242 HydrophobicContact CB-CD1 3.85Å
209	V	81.4	Confident	78.2	Confident	27 Å²	27	66.8 Å²	66.8	16%	0.164	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-82.1	125.4	174.3	-177.7	0	0	0	0	108.3	V207 M215 M218 K220 K238	V207-V209 PolarHBondContact O-N 3.35Å; V209-M215 HydrophobicContact CG1-CB 4.33Å; V209-M215 HydrophobicContact CG1-SD 3.94Å; V209-M218 HydrophobicContact CB-CB 4.18Å; V209-M218 WeakPolarHBondContact CB-O 3.34Å; V209-M218 PolarHBondContact N-O 2.82Å; V209-K220 HydrophobicContact CG2-CB 3.89Å; V209-K238 PolarHBondContact O-NZ 3.49Å
210	K	75.3	Confident	78.5	Confident	183 Å²	183	68.4 Å²	68.4	80%	0.796	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-66.1	136.9	176.9	-68.8	-178	178.9	177.9	0	110.1	N212	K210-N212 PolarHBondContact O-N 2.88Å
211	D	74.6	Confident	78.8	Confident	88 Å²	88	65.1 Å²	65.1	47%	0.471	35%	0.353	S	S	.	.			trans	-71.4	115.8	-178.4	-52.6	-58.4	0	0	0	110.3	M215 D217 K238	D211-M215 CarbonylContact C-O 3.56Å; D211-M215 WeakPolarHBondContact CA-O 3.19Å; D211-D217 PolarHBondContact OD1-N 3.45Å; D211-K238 IonicContact OD1-NZ 3.99Å; D211-K238 PolarHBondContact OD1-NZ 3.48Å; D211-K238 IonicContact OD2-NZ 3.9Å
212	N	68.5	Low	78.9	Confident	110 Å²	110	68.3 Å²	68.3	59%	0.588	37%	0.37	S	S	*	.	B	Isolated β-bridge	trans	-151.3	116.4	177.3	-179.6	39.3	0	0	0	108.5	K210 M215	K210-N212 PolarHBondContact O-N 2.88Å; N212-M215 CarbonylContact C-O 3.47Å; N212-M215 PolarHBondContact N-O 3.41Å; N212-M215 WeakPolarHBondContact O-CA 3.37Å; N212-M215 WeakPolarHBondContact O-CB 3.18Å; N212-M215 PolarHBondContact O-N 2.78Å
213	P	62.7	Low	79	Confident	119 Å²	119	63.5 Å²	63.5	77%	0.773	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	127.3	-173.1	-26.7	34.4	0	0	0	112.5
214	P	62	Low	78.2	Confident	108 Å²	108	70.2 Å²	70.2	70%	0.701	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.7	-3.7	13.1	35.5	-37.5	0	0	0	116.2	K216	P214-K216 PolarHBondContact O-N 3.4Å
215	M	70	Confident	77.3	Confident	56 Å²	56	74.8 Å²	74.8	28%	0.276	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-75.6	109.3	-179.1	-53.4	174.4	-168.8	0	0	110.2	M163 V209 D211 N212 M218	M163-M215 HydrophobicContact CE-CE 3.73Å; M163-M215 HydrophobicContact CG-CE 4.36Å; M163-M215 HydrophobicContact SD-CE 3.88Å; V209-M215 HydrophobicContact CG1-CB 4.33Å; V209-M215 HydrophobicContact CG1-SD 3.94Å; D211-M215 CarbonylContact C-O 3.56Å; D211-M215 WeakPolarHBondContact CA-O 3.19Å; N212-M215 CarbonylContact C-O 3.47Å; N212-M215 PolarHBondContact N-O 3.41Å; N212-M215 WeakPolarHBondContact O-CA 3.37Å; N212-M215 WeakPolarHBondContact O-CB 3.18Å; N212-M215 PolarHBondContact O-N 2.78Å; M215-M218 HydrophobicContact CB-SD 3.96Å; M215-M218 HydrophobicContact CG-SD 4.23Å
216	K	78	Confident	77	Confident	133 Å²	133	77.3 Å²	77.3	58%	0.578	41%	0.407	S	S	*	.			trans	-138.3	133.9	175.5	-172.1	-167.7	173.6	-160.3	0	110	P214 M218 Q231	P214-K216 PolarHBondContact O-N 3.4Å; K216-M218 PolarHBondContact O-N 3.46Å; K216-Q231 PolarHBondContact O-NE2 2.8Å
217	D	83.8	Confident	77	Confident	14 Å²	14	76.7 Å²	76.7	8%	0.075	40%	0.404	C	S	.	.	S	Bend	trans	58.5	32.5	176.7	-59.8	-42.4	0	0	0	112.9	D211 A232 S235 K238	D211-D217 PolarHBondContact OD1-N 3.45Å; D217-A232 PolarHBondContact O-N 2.78Å; D217-S235 VanDerWaalsContact CG-N 3.31Å; D217-S235 WeakPolarHBondContact OD1-CA 3.37Å; D217-S235 WeakPolarHBondContact OD1-CB 3.41Å; D217-S235 PolarHBondContact OD1-N 3.14Å; D217-S235 PolarHBondContact OD1-OG 2.87Å; D217-S235 VanDerWaalsContact OD1-OG 3.13Å; D217-S235 PolarHBondContact OD2-N 3.41Å; D217-K238 VanDerWaalsContact C-CD 3.49Å; D217-K238 HydrophobicContact CB-CD 4.46Å
218	M	86	Confident	77.1	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.03	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150.6	179.3	-68.5	171	178.9	0	0	113.8	F158 V209 M215 K216 I229 F230 Q231 K238	F158-M218 HydrophobicContact CD1-CE 3.93Å; F158-M218 HydrophobicContact CD2-CE 4.01Å; F158-M218 HydrophobicContact CE1-CE 3.75Å; F158-M218 HydrophobicContact CE2-CE 3.84Å; F158-M218 HydrophobicContact CG-CE 4.05Å; F158-M218 HydrophobicContact CZ-CE 3.7Å; V209-M218 HydrophobicContact CB-CB 4.18Å; V209-M218 WeakPolarHBondContact CB-O 3.34Å; V209-M218 PolarHBondContact N-O 2.82Å; M215-M218 HydrophobicContact CB-SD 3.96Å; M215-M218 HydrophobicContact CG-SD 4.23Å; K216-M218 PolarHBondContact O-N 3.46Å; M218-I229 HydrophobicContact CB-CG2 4.28Å; M218-I229 HydrophobicContact CG-CG2 4.43Å; M218-I229 HydrophobicContact SD-CG2 4.27Å; M218-F230 CarbonylContact C-O 3.53Å; M218-F230 VanDerWaalsContact CA-O 3.25Å; M218-F230 WeakPolarHBondContact CA-O 3.3Å; M218-Q231 HydrophobicContact CE-CB 4.27Å; M218-Q231 HydrophobicContact CE-CG 4.4Å; M218-Q231 HydrophobicContact CG-CB 3.86Å; M218-Q231 HydrophobicContact CG-CG 4.08Å; M218-K238 WeakPolarHBondContact O-CE 3.5Å; M218-K238 PolarHBondContact O-NZ 2.92Å
219	F	87.9	Confident	77.2	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.009	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.1	165.7	64.9	-87.5	0	0	0	110.4	L155 V206 I221 F230 W241 L242	L155-F219 HydrophobicContact CD1-CE1 4.36Å; L155-F219 HydrophobicContact CD1-CZ 3.75Å; L155-F219 HydrophobicContact CD2-CE1 3.86Å; L155-F219 HydrophobicContact CD2-CZ 4.1Å; V206-F219 HydrophobicContact CG1-CD2 4.04Å; F219-I221 HydrophobicContact CD2-CG1 4.42Å; F219-I221 HydrophobicContact CE2-CD1 4.33Å; F219-I221 HydrophobicContact CE2-CG1 4.31Å; F219-F230 HydrophobicContact CE1-CB 4.13Å; F219-F230 HydrophobicContact CE2-CB 4.14Å; F219-F230 HydrophobicContact CE2-CD2 4.16Å; F219-F230 HydrophobicContact CZ-CB 3.92Å; F219-F230 PolarHBondContact N-O 2.91Å; F219-F230 PolarHBondContact O-N 3.19Å; F219-W241 HydrophobicContact CE1-CB 4.25Å; F219-W241 HydrophobicContact CE1-CG 4.35Å; F219-W241 HydrophobicContact CZ-CB 4.33Å; F219-W241 HydrophobicContact CZ-CG 4.29Å; F219-L242 HydrophobicContact CB-CD2 4.18Å
220	K	87.1	Confident	77.6	Confident	58 Å²	58	69.4 Å²	69.4	25%	0.252	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.1	-173.1	-176.1	171.2	-174.6	174.6	0	109.7	V207 V209 L222 S227 R228 I229	V207-K220 HydrophobicContact CB-CB 4.41Å; V207-K220 PolarHBondContact N-O 2.83Å; V207-K220 PolarHBondContact O-N 2.81Å; V209-K220 HydrophobicContact CG2-CB 3.89Å; K220-L222 HydrophobicContact CD-CD2 4.15Å; K220-L222 HydrophobicContact CG-CD2 4.24Å; K220-S227 WeakPolarHBondContact CE-OG 3.39Å; K220-S227 VanDerWaalsContact CG-OG 3.31Å; K220-S227 WeakPolarHBondContact CG-OG 3.43Å; K220-R228 CarbonylContact C-O 3.48Å; K220-R228 WeakPolarHBondContact CA-O 3.48Å; K220-I229 HydrophobicContact CB-CG1 4.27Å; K220-I229 HydrophobicContact CD-CD1 4.5Å; K220-I229 HydrophobicContact CD-CG1 4.15Å; K220-I229 HydrophobicContact CG-CG1 3.96Å
221	I	87.6	Confident	78.2	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.2	169.9	-62.4	-172	0	0	0	107.7	L178 F204 A205 F219 S227 R228 F230	L178-I221 HydrophobicContact CD2-CD1 3.79Å; F204-I221 HydrophobicContact CB-CG2 3.72Å; F204-I221 HydrophobicContact CD2-CD1 4.5Å; F204-I221 HydrophobicContact CD2-CG2 3.71Å; F204-I221 HydrophobicContact CE2-CD1 4.48Å; F204-I221 HydrophobicContact CG-CG2 3.95Å; A205-I221 WeakPolarHBondContact O-CA 3.33Å; F219-I221 HydrophobicContact CD2-CG1 4.42Å; F219-I221 HydrophobicContact CE2-CD1 4.33Å; F219-I221 HydrophobicContact CE2-CG1 4.31Å; I221-S227 WeakPolarHBondContact O-CA 3.38Å; I221-S227 PolarHBondContact O-OG 2.86Å; I221-R228 PolarHBondContact N-O 3.11Å; I221-R228 PolarHBondContact O-N 3.45Å; I221-F230 HydrophobicContact CB-CE2 4.2Å; I221-F230 HydrophobicContact CD1-CD2 4.05Å; I221-F230 HydrophobicContact CD1-CE2 3.78Å; I221-F230 HydrophobicContact CG1-CD2 4.07Å; I221-F230 HydrophobicContact CG1-CE2 3.98Å
222	L	80.2	Confident	78.9	Confident	72 Å²	72	59.3 Å²	59.3	38%	0.377	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.1	175.7	-63	174.6	0	0	0	108.4	F204 A205 V207 K220 S227	F204-L222 CarbonylContact C-O 3.36Å; F204-L222 VanDerWaalsContact CA-O 3.25Å; F204-L222 WeakPolarHBondContact CA-O 3.39Å; F204-L222 WeakPolarHBondContact CB-O 3.27Å; A205-L222 HydrophobicContact CB-CB 4.36Å; A205-L222 PolarHBondContact N-O 3.26Å; A205-L222 PolarHBondContact O-N 2.8Å; V207-L222 HydrophobicContact CG2-CD1 3.56Å; V207-L222 HydrophobicContact CG2-CG 4.15Å; K220-L222 HydrophobicContact CD-CD2 4.15Å; K220-L222 HydrophobicContact CG-CD2 4.24Å; L222-S227 WeakPolarHBondContact CD2-OG 3.36Å
223	M	78.9	Confident	79.7	Confident	32 Å²	32	62.3 Å²	62.3	16%	0.158	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	87.1	-171.5	43.4	170.4	-70.5	0	0	109.1	Y199 F204 D226 R228	Y199-M223 HydrophobicContact CD1-CE 4.37Å; Y199-M223 HydrophobicContact CD1-SD 4.37Å; Y199-M223 HydrophobicContact CE1-CE 3.43Å; Y199-M223 VanDerWaalsContact CE1-CE 3.43Å; Y199-M223 HydrophobicContact CE1-SD 3.52Å; Y199-M223 VanDerWaalsContact CE1-SD 3.52Å; Y199-M223 HydrophobicContact CE2-SD 4.37Å; Y199-M223 VanDerWaalsContact CZ-SD 3.5Å; Y199-M223 PolarHBondContact OH-SD 2.79Å; Y199-M223 VanDerWaalsContact OH-SD 3.34Å; F204-M223 HydrophobicContact CB-CB 4.22Å; M223-D226 CarbonylContact C-O 3.57Å; M223-D226 HydrophobicContact CE-CB 4.21Å; M223-D226 HydrophobicContact CG-CB 4.34Å; M223-D226 WeakPolarHBondContact CG-O 3.44Å; M223-D226 PolarHBondContact N-O 2.76Å; M223-D226 CarbonylContact O-C 3.59Å; M223-D226 WeakPolarHBondContact O-CA 3.23Å; M223-D226 PolarHBondContact O-N 2.84Å; M223-R228 HydrophobicContact SD-CG 4.3Å
224	F	59.7	Low	80.7	Confident	206 Å²	206	59.4 Å²	59.4	90%	0.904	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	125.7	-168.1	-176.3	-90.4	0	0	0	112.7
225	P	64.4	Low	81.8	Confident	105 Å²	105	56.7 Å²	56.7	68%	0.682	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.3	-8.8	8.4	36.5	-36.6	0	0	0	115.6
226	D	75.4	Confident	82.5	Confident	103 Å²	103	61.5 Å²	61.5	55%	0.551	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	171	-168.7	-62.6	-34.7	0	0	0	113.9	M223	M223-D226 CarbonylContact C-O 3.57Å; M223-D226 HydrophobicContact CE-CB 4.21Å; M223-D226 HydrophobicContact CG-CB 4.34Å; M223-D226 WeakPolarHBondContact CG-O 3.44Å; M223-D226 PolarHBondContact N-O 2.76Å; M223-D226 CarbonylContact O-C 3.59Å; M223-D226 WeakPolarHBondContact O-CA 3.23Å; M223-D226 PolarHBondContact O-N 2.84Å
227	S	83.9	Confident	82.9	Confident	29 Å²	29	56.5 Å²	56.5	20%	0.203	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.2	166.8	-174.6	0	0	0	0	112	V160 K220 I221 L222	V160-S227 VanDerWaalsContact CG2-O 3.25Å; V160-S227 WeakPolarHBondContact CG2-O 3.47Å; K220-S227 WeakPolarHBondContact CE-OG 3.39Å; K220-S227 VanDerWaalsContact CG-OG 3.31Å; K220-S227 WeakPolarHBondContact CG-OG 3.43Å; I221-S227 WeakPolarHBondContact O-CA 3.38Å; I221-S227 PolarHBondContact O-OG 2.86Å; L222-S227 WeakPolarHBondContact CD2-OG 3.36Å
228	R	85.9	Confident	83	Confident	25 Å²	25	56.1 Å²	56.1	9%	0.094	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.3	178.7	-57	177.5	72.4	178.2	4.4	109.6	E157 N196 Y199 K220 I221 M223 F230	E157-R228 IonicContact OE1-CZ 3.06Å; E157-R228 IonicContact OE1-NE 2.67Å; E157-R228 PolarHBondContact OE1-NE 3.42Å; E157-R228 IonicContact OE1-NH2 3.63Å; E157-R228 PolarHBondContact OE1-NH2 3.35Å; E157-R228 IonicContact OE2-CZ 2.79Å; E157-R228 IonicContact OE2-NH2 3.87Å; E157-R228 PolarHBondContact OE2-NH2 2.87Å; N196-R228 PolarHBondContact ND2-NH2 3.43Å; N196-R228 VanDerWaalsContact ND2-NH2 3.14Å; Y199-R228 WeakPolarHBondContact OH-CD 3.43Å; Y199-R228 PolarHBondContact OH-NH1 2.96Å; K220-R228 CarbonylContact C-O 3.48Å; K220-R228 WeakPolarHBondContact CA-O 3.48Å; I221-R228 PolarHBondContact N-O 3.11Å; I221-R228 PolarHBondContact O-N 3.45Å; M223-R228 HydrophobicContact SD-CG 4.3Å; R228-F230 HydrophobicContact CB-CE2 3.65Å; R228-F230 HydrophobicContact CB-CZ 3.64Å
229	I	88	Confident	83	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.9	176.8	-61.2	173	0	0	0	108.4	E157 F158 V160 M163 M218 K220	E157-I229 WeakPolarHBondContact CA-O 3.26Å; F158-I229 HydrophobicContact CB-CB 4.16Å; F158-I229 HydrophobicContact CB-CG2 4.16Å; F158-I229 PolarHBondContact N-O 3.24Å; V160-I229 HydrophobicContact CG2-CD1 4.4Å; V160-I229 HydrophobicContact CG2-CG1 4.39Å; M163-I229 HydrophobicContact CE-CD1 3.59Å; M163-I229 HydrophobicContact SD-CD1 4.07Å; M218-I229 HydrophobicContact CB-CG2 4.28Å; M218-I229 HydrophobicContact CG-CG2 4.43Å; M218-I229 HydrophobicContact SD-CG2 4.27Å; K220-I229 HydrophobicContact CB-CG1 4.27Å; K220-I229 HydrophobicContact CD-CD1 4.5Å; K220-I229 HydrophobicContact CD-CG1 4.15Å; K220-I229 HydrophobicContact CG-CG1 3.96Å
230	F	89.4	Confident	82.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.4	178.7	-59.8	-73.2	0	0	0	110.6	L155 V156 E157 V169 I180 M218 F219 I221 R228	L155-F230 HydrophobicContact CB-CB 4.42Å; L155-F230 HydrophobicContact CB-CD1 4.45Å; L155-F230 HydrophobicContact CD1-CB 4.21Å; L155-F230 HydrophobicContact CD1-CG 4.36Å; V156-F230 CarbonylContact O-C 3.57Å; V156-F230 WeakPolarHBondContact O-CA 3.32Å; E157-F230 HydrophobicContact CB-CD1 4.16Å; E157-F230 HydrophobicContact CB-CE1 3.99Å; E157-F230 HydrophobicContact CG-CE1 4.12Å; V169-F230 HydrophobicContact CG2-CD1 4.02Å; V169-F230 HydrophobicContact CG2-CE1 3.96Å; I180-F230 HydrophobicContact CD1-CE1 4.05Å; I180-F230 HydrophobicContact CD1-CE2 3.98Å; I180-F230 HydrophobicContact CD1-CZ 3.43Å; I180-F230 VanDerWaalsContact CD1-CZ 3.43Å; M218-F230 CarbonylContact C-O 3.53Å; M218-F230 VanDerWaalsContact CA-O 3.25Å; M218-F230 WeakPolarHBondContact CA-O 3.3Å; F219-F230 HydrophobicContact CE1-CB 4.13Å; F219-F230 HydrophobicContact CE2-CB 4.14Å; F219-F230 HydrophobicContact CE2-CD2 4.16Å; F219-F230 HydrophobicContact CZ-CB 3.92Å; F219-F230 PolarHBondContact N-O 2.91Å; F219-F230 PolarHBondContact O-N 3.19Å; I221-F230 HydrophobicContact CB-CE2 4.2Å; I221-F230 HydrophobicContact CD1-CD2 4.05Å; I221-F230 HydrophobicContact CD1-CE2 3.78Å; I221-F230 HydrophobicContact CG1-CD2 4.07Å; I221-F230 HydrophobicContact CG1-CE2 3.98Å; R228-F230 HydrophobicContact CB-CE2 3.65Å; R228-F230 HydrophobicContact CB-CZ 3.64Å
231	Q	88.8	Confident	83.1	Confident	52 Å²	52	62.5 Å²	62.5	24%	0.243	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.1	169.4	-174.1	171.2	48.7	0	0	109.7	V156 F158 K216 M218	V156-Q231 HydrophobicContact CB-CB 4.39Å; V156-Q231 PolarHBondContact N-O 2.68Å; V156-Q231 PolarHBondContact O-N 2.83Å; F158-Q231 HydrophobicContact CD2-CB 4.03Å; F158-Q231 HydrophobicContact CE2-CB 3.68Å; F158-Q231 HydrophobicContact CE2-CG 4.46Å; F158-Q231 VanDerWaalsContact CE2-OE1 3.3Å; K216-Q231 PolarHBondContact O-NE2 2.8Å; M218-Q231 HydrophobicContact CE-CB 4.27Å; M218-Q231 HydrophobicContact CE-CG 4.4Å; M218-Q231 HydrophobicContact CG-CB 3.86Å; M218-Q231 HydrophobicContact CG-CG 4.08Å
232	A	88.3	Confident	83	Confident	6 Å²	6	63.9 Å²	63.9	5%	0.05	32%	0.32	C	S	.	.			trans	-84.8	158.3	169.3	0	0	0	0	0	110.7	L155 D217 N234 V237 K238	L155-A232 HydrophobicContact CD2-CB 4.18Å; D217-A232 PolarHBondContact O-N 2.78Å; A232-N234 PolarHBondContact O-N 2.74Å; A232-V237 HydrophobicContact CB-CB 4.43Å; A232-V237 HydrophobicContact CB-CG1 4.17Å; A232-K238 HydrophobicContact CB-CB 3.93Å
233	E	85.4	Confident	83.3	Confident	173 Å²	173	65.8 Å²	65.8	81%	0.808	33%	0.327	S	S	*	.	S	Bend	trans	-60.4	-32.5	178.1	-176.7	175.3	-158.9	0	0	112.9
234	N	84.9	Confident	83.7	Confident	58 Å²	58	65.9 Å²	65.9	31%	0.31	33%	0.327	S	S	.	.	S	Bend	trans	-158.4	166.8	179.1	63.4	68.3	0	0	0	112.3	A232 K236 V237 K238	A232-N234 PolarHBondContact O-N 2.74Å; N234-K236 PolarHBondContact O-N 3.47Å; N234-K236 WeakPolarHBondContact OD1-CA 3.48Å; N234-K236 VanDerWaalsContact OD1-CB 3.31Å; N234-K236 WeakPolarHBondContact OD1-CB 3.49Å; N234-K236 PolarHBondContact OD1-N 3.19Å; N234-V237 PolarHBondContact O-N 3.44Å; N234-V237 PolarHBondContact OD1-N 3.07Å; N234-K238 PolarHBondContact O-N 3.11Å
235	S	84.1	Confident	84.9	Confident	51 Å²	51	56.2 Å²	56.2	36%	0.357	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-24.4	-179.2	-147.3	0	0	0	0	115.2	D217 K239	D217-S235 VanDerWaalsContact CG-N 3.31Å; D217-S235 WeakPolarHBondContact OD1-CA 3.37Å; D217-S235 WeakPolarHBondContact OD1-CB 3.41Å; D217-S235 PolarHBondContact OD1-N 3.14Å; D217-S235 PolarHBondContact OD1-OG 2.87Å; D217-S235 VanDerWaalsContact OD1-OG 3.13Å; D217-S235 PolarHBondContact OD2-N 3.41Å; S235-K239 WeakPolarHBondContact O-CG 3.32Å; S235-K239 PolarHBondContact O-N 2.69Å
236	K	84.9	Confident	85.8	Confident	158 Å²	158	54.9 Å²	54.9	69%	0.687	27%	0.272	S	S	*	.	H	α-helix	trans	-73.8	-52.4	175.9	-61.1	-174.8	175.4	-172.4	0	110.3	N234 K238 K239 E240	N234-K236 PolarHBondContact O-N 3.47Å; N234-K236 WeakPolarHBondContact OD1-CA 3.48Å; N234-K236 VanDerWaalsContact OD1-CB 3.31Å; N234-K236 WeakPolarHBondContact OD1-CB 3.49Å; N234-K236 PolarHBondContact OD1-N 3.19Å; K236-K238 PolarHBondContact O-N 3.28Å; K236-K239 WeakPolarHBondContact O-CA 3.36Å; K236-K239 WeakPolarHBondContact O-CB 3.49Å; K236-K239 PolarHBondContact O-N 3.48Å; K236-E240 PolarHBondContact O-N 2.9Å
237	V	86.3	Confident	86.2	Confident	28 Å²	28	55.5 Å²	55.5	17%	0.17	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-35.9	176.2	174.3	0	0	0	0	111.4	A232 N234 W241	A232-V237 HydrophobicContact CB-CB 4.43Å; A232-V237 HydrophobicContact CB-CG1 4.17Å; N234-V237 PolarHBondContact O-N 3.44Å; N234-V237 PolarHBondContact OD1-N 3.07Å; V237-W241 WeakPolarHBondContact O-CB 3.31Å; V237-W241 VanDerWaalsContact O-CD1 3.25Å; V237-W241 PolarHBondContact O-N 3Å
238	K	86.2	Confident	86.2	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-43.6	170.7	169.4	171.7	165.4	173.7	0	112.8	N208 V209 D211 D217 M218 A232 N234 K236 L242	N208-K238 WeakPolarHBondContact OD1-CE 3.33Å; N208-K238 PolarHBondContact OD1-NZ 3.47Å; N208-K238 VanDerWaalsContact OD1-NZ 3.09Å; V209-K238 PolarHBondContact O-NZ 3.49Å; D211-K238 IonicContact OD1-NZ 3.99Å; D211-K238 PolarHBondContact OD1-NZ 3.48Å; D211-K238 IonicContact OD2-NZ 3.9Å; D217-K238 VanDerWaalsContact C-CD 3.49Å; D217-K238 HydrophobicContact CB-CD 4.46Å; M218-K238 WeakPolarHBondContact O-CE 3.5Å; M218-K238 PolarHBondContact O-NZ 2.92Å; A232-K238 HydrophobicContact CB-CB 3.93Å; N234-K238 PolarHBondContact O-N 3.11Å; K236-K238 PolarHBondContact O-N 3.28Å; K238-L242 HydrophobicContact CG-CD1 4.15Å; K238-L242 VanDerWaalsContact O-CG 3.29Å; K238-L242 WeakPolarHBondContact O-CG 3.49Å; K238-L242 PolarHBondContact O-N 3Å; K238-L242 VanDerWaalsContact O-N 3.14Å
239	K	85.5	Confident	86	Confident	122 Å²	122	55.4 Å²	55.4	53%	0.53	27%	0.269	S	S	.	.	H	α-helix	trans	-68.7	-46.8	177.9	-73.3	178.9	-178.6	-171.9	0	111.4	S235 K236 W241 L242 E243	S235-K239 WeakPolarHBondContact O-CG 3.32Å; S235-K239 PolarHBondContact O-N 2.69Å; K236-K239 WeakPolarHBondContact O-CA 3.36Å; K236-K239 WeakPolarHBondContact O-CB 3.49Å; K236-K239 PolarHBondContact O-N 3.48Å; K239-W241 VanDerWaalsContact C-N 3.31Å; K239-W241 PolarHBondContact O-N 3.04Å; K239-L242 PolarHBondContact O-N 3.47Å; K239-E243 WeakPolarHBondContact O-CB 3.39Å; K239-E243 WeakPolarHBondContact O-CG 3.17Å; K239-E243 PolarHBondContact O-N 2.84Å
240	E	86.4	Confident	85.7	Confident	76 Å²	76	60.7 Å²	60.7	36%	0.355	29%	0.292	S	S	.	.	H	α-helix	trans	-53.4	-47.1	174.3	-69.4	168.3	-146.2	0	0	111.4	Y151 K236 L242 E243 I244	Y151-E240 PolarHBondContact OH-OE2 3.15Å; K236-E240 PolarHBondContact O-N 2.9Å; E240-L242 PolarHBondContact O-N 3Å; E240-E243 PolarHBondContact O-N 3.17Å; E240-I244 HydrophobicContact CB-CD1 4.44Å; E240-I244 WeakPolarHBondContact O-CB 2.98Å; E240-I244 WeakPolarHBondContact O-CD1 3.31Å; E240-I244 WeakPolarHBondContact O-CG1 3.3Å; E240-I244 PolarHBondContact O-N 3.22Å
241	W	90.1	Very high	85.2	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-45.4	174.8	-91.3	112.6	0	0	0	113	Y151 L155 A171 L173 L178 F219 V237 K239 L245	Y151-W241 AromaticContact CD1-CD2 3.93Å; Y151-W241 HydrophobicContact CD1-CD2 3.93Å; Y151-W241 AromaticContact CD1-CE2 3.82Å; Y151-W241 AromaticContact CD1-CE3 3.99Å; Y151-W241 HydrophobicContact CD1-CE3 3.99Å; Y151-W241 AromaticContact CD1-CH2 3.88Å; Y151-W241 HydrophobicContact CD1-CH2 3.88Å; Y151-W241 AromaticContact CD1-CZ2 3.81Å; Y151-W241 HydrophobicContact CD1-CZ2 3.81Å; Y151-W241 AromaticContact CD1-CZ3 3.98Å; Y151-W241 HydrophobicContact CD1-CZ3 3.98Å; Y151-W241 AromaticContact CE1-CD2 3.79Å; Y151-W241 HydrophobicContact CE1-CD2 3.79Å; Y151-W241 AromaticContact CE1-CE2 3.57Å; Y151-W241 HydrophobicContact CE1-CE3 4.33Å; Y151-W241 HydrophobicContact CE1-CG 4.11Å; Y151-W241 HydrophobicContact CE1-CH2 4.45Å; Y151-W241 AromaticContact CE1-CZ2 3.94Å; Y151-W241 HydrophobicContact CE1-CZ2 3.94Å; Y151-W241 AromaticContact CE1-NE1 3.73Å; L155-W241 HydrophobicContact CD1-CZ2 4.36Å; A171-W241 HydrophobicContact CB-CH2 3.46Å; A171-W241 VanDerWaalsContact CB-CH2 3.46Å; A171-W241 HydrophobicContact CB-CZ2 3.73Å; A171-W241 HydrophobicContact CB-CZ3 4.33Å; L173-W241 HydrophobicContact CB-CZ3 4.07Å; L173-W241 HydrophobicContact CD2-CZ3 4.42Å; L178-W241 HydrophobicContact CD1-CZ3 4.18Å; F219-W241 HydrophobicContact CE1-CB 4.25Å; F219-W241 HydrophobicContact CE1-CG 4.35Å; F219-W241 HydrophobicContact CZ-CB 4.33Å; F219-W241 HydrophobicContact CZ-CG 4.29Å; V237-W241 WeakPolarHBondContact O-CB 3.31Å; V237-W241 VanDerWaalsContact O-CD1 3.25Å; V237-W241 PolarHBondContact O-N 3Å; K239-W241 VanDerWaalsContact C-N 3.31Å; K239-W241 PolarHBondContact O-N 3.04Å; W241-L245 HydrophobicContact CE3-CD1 3.93Å; W241-L245 HydrophobicContact CE3-CG 4.16Å; W241-L245 WeakPolarHBondContact O-CB 3.38Å; W241-L245 VanDerWaalsContact O-CD1 3.3Å; W241-L245 WeakPolarHBondContact O-CD1 3.16Å; W241-L245 WeakPolarHBondContact O-CG 3.37Å; W241-L245 PolarHBondContact O-N 3.41Å
242	L	86.8	Confident	84.7	Confident	33 Å²	33	64.3 Å²	64.3	17%	0.173	31%	0.311	C	S	.	.	H	α-helix	trans	-67.7	-43	-179.6	-71.2	170.3	0	0	0	112.3	V206 N208 F219 K238 K239 E240 D246	V206-L242 HydrophobicContact CG1-CD2 3.57Å; N208-L242 HydrophobicContact CB-CD1 3.85Å; F219-L242 HydrophobicContact CB-CD2 4.18Å; K238-L242 HydrophobicContact CG-CD1 4.15Å; K238-L242 VanDerWaalsContact O-CG 3.29Å; K238-L242 WeakPolarHBondContact O-CG 3.49Å; K238-L242 PolarHBondContact O-N 3Å; K238-L242 VanDerWaalsContact O-N 3.14Å; K239-L242 PolarHBondContact O-N 3.47Å; E240-L242 PolarHBondContact O-N 3Å; L242-D246 WeakPolarHBondContact O-CB 3.37Å; L242-D246 PolarHBondContact O-N 3.04Å; L242-D246 VanDerWaalsContact O-N 3.12Å
243	E	86.9	Confident	84	Confident	112 Å²	112	67.8 Å²	67.8	52%	0.523	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-50.8	179.7	-72.3	163.1	-164.1	0	0	110.4	K239 E240 L245 D246 E247	K239-E243 WeakPolarHBondContact O-CB 3.39Å; K239-E243 WeakPolarHBondContact O-CG 3.17Å; K239-E243 PolarHBondContact O-N 2.84Å; E240-E243 PolarHBondContact O-N 3.17Å; E243-L245 PolarHBondContact O-N 3.03Å; E243-D246 PolarHBondContact O-N 3.41Å; E243-E247 WeakPolarHBondContact O-CG 3.4Å; E243-E247 PolarHBondContact O-N 3.12Å
244	I	86.6	Confident	83.3	Confident	34 Å²	34	62.4 Å²	62.4	17%	0.174	31%	0.313	C	S	.	.	H	α-helix	trans	-69.3	-33.2	-178.8	-57.6	166.4	0	0	0	111.6	V150 Y151 L173 E240 T248	V150-I244 HydrophobicContact CG1-CG2 3.81Å; Y151-I244 HydrophobicContact CD1-CD1 4.32Å; Y151-I244 HydrophobicContact CD2-CD1 3.42Å; Y151-I244 VanDerWaalsContact CD2-CD1 3.42Å; Y151-I244 HydrophobicContact CE2-CD1 3.65Å; Y151-I244 HydrophobicContact CG-CD1 3.77Å; L173-I244 HydrophobicContact CD2-CG2 3.81Å; E240-I244 HydrophobicContact CB-CD1 4.44Å; E240-I244 WeakPolarHBondContact O-CB 2.98Å; E240-I244 WeakPolarHBondContact O-CD1 3.31Å; E240-I244 WeakPolarHBondContact O-CG1 3.3Å; E240-I244 PolarHBondContact O-N 3.22Å; I244-T248 HydrophobicContact CG2-CG2 4.35Å; I244-T248 WeakPolarHBondContact O-CB 3.41Å; I244-T248 WeakPolarHBondContact O-CG2 3.45Å; I244-T248 PolarHBondContact O-N 3.47Å; I244-T248 PolarHBondContact O-OG1 3.38Å
245	L	85.3	Confident	82.6	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-33.3	173.6	-78.5	166.9	0	0	0	112.9	L173 L178 F204 V206 W241 E243 T248 K249	L173-L245 HydrophobicContact CD1-CD2 3.72Å; L173-L245 HydrophobicContact CD2-CD2 3.71Å; L173-L245 HydrophobicContact CD2-CG 4.06Å; L173-L245 HydrophobicContact CG-CD2 4.31Å; L178-L245 HydrophobicContact CD2-CD2 4.3Å; F204-L245 HydrophobicContact CE2-CD2 4.39Å; F204-L245 HydrophobicContact CZ-CD2 4.34Å; V206-L245 HydrophobicContact CG1-CD1 4.33Å; V206-L245 HydrophobicContact CG2-CD1 4.18Å; W241-L245 HydrophobicContact CE3-CD1 3.93Å; W241-L245 HydrophobicContact CE3-CG 4.16Å; W241-L245 WeakPolarHBondContact O-CB 3.38Å; W241-L245 VanDerWaalsContact O-CD1 3.3Å; W241-L245 WeakPolarHBondContact O-CD1 3.16Å; W241-L245 WeakPolarHBondContact O-CG 3.37Å; W241-L245 PolarHBondContact O-N 3.41Å; E243-L245 PolarHBondContact O-N 3.03Å; L245-T248 WeakPolarHBondContact CA-OG1 3.28Å; L245-T248 PolarHBondContact O-OG1 3.4Å; L245-K249 WeakPolarHBondContact O-CD 3.22Å; L245-K249 VanDerWaalsContact O-CG 3.3Å; L245-K249 WeakPolarHBondContact O-CG 3.37Å; L245-K249 PolarHBondContact O-N 2.6Å
246	D	83.8	Confident	81.8	Confident	77 Å²	77	67.5 Å²	67.5	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-76.6	-43.2	175.7	-174.6	37.1	0	0	0	111.3	L242 E243 T248 K249 K250	L242-D246 WeakPolarHBondContact O-CB 3.37Å; L242-D246 PolarHBondContact O-N 3.04Å; L242-D246 VanDerWaalsContact O-N 3.12Å; E243-D246 PolarHBondContact O-N 3.41Å; D246-T248 PolarHBondContact O-N 3.27Å; D246-K249 PolarHBondContact O-N 2.93Å; D246-K250 WeakPolarHBondContact O-CB 2.81Å; D246-K250 WeakPolarHBondContact O-CG 3.37Å; D246-K250 PolarHBondContact O-N 3.35Å; D246-K250 VanDerWaalsContact OD1-CE 3.26Å; D246-K250 WeakPolarHBondContact OD1-CE 3.47Å; D246-K250 IonicContact OD1-NZ 2.76Å; D246-K250 WeakPolarHBondContact OD2-CE 3.42Å; D246-K250 IonicContact OD2-NZ 2.7Å; D246-K250 PolarHBondContact OD2-NZ 3.44Å
247	E	83.8	Confident	80.6	Confident	115 Å²	115	66.5 Å²	66.5	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-43.5	174.1	-74.5	-174.5	174.4	0	0	112.7	E243 K250 N251	E243-E247 WeakPolarHBondContact O-CG 3.4Å; E243-E247 PolarHBondContact O-N 3.12Å; E247-K250 PolarHBondContact O-N 3.43Å; E247-N251 VanDerWaalsContact O-CB 3.28Å; E247-N251 WeakPolarHBondContact O-CB 3.48Å; E247-N251 PolarHBondContact O-N 3.41Å; E247-N251 PolarHBondContact O-ND2 3.2Å; E247-N251 VanDerWaalsContact O-ND2 3.08Å
248	T	82.9	Confident	79.1	Confident	9 Å²	9	70.5 Å²	70.5	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-42.2	177.4	43.9	0	0	0	0	112.4	V150 L173 I244 L245 D246 N251 K252	V150-T248 HydrophobicContact CB-CG2 4.04Å; V150-T248 HydrophobicContact CG1-CG2 3.63Å; V150-T248 HydrophobicContact CG2-CG2 3.95Å; L173-T248 HydrophobicContact CD2-CG2 4.04Å; L173-T248 HydrophobicContact CG-CG2 4.25Å; I244-T248 HydrophobicContact CG2-CG2 4.35Å; I244-T248 WeakPolarHBondContact O-CB 3.41Å; I244-T248 WeakPolarHBondContact O-CG2 3.45Å; I244-T248 PolarHBondContact O-N 3.47Å; I244-T248 PolarHBondContact O-OG1 3.38Å; L245-T248 WeakPolarHBondContact CA-OG1 3.28Å; L245-T248 PolarHBondContact O-OG1 3.4Å; D246-T248 PolarHBondContact O-N 3.27Å; T248-N251 PolarHBondContact O-N 2.94Å; T248-K252 PolarHBondContact O-N 3.31Å
249	K	82.5	Confident	77.7	Confident	43 Å²	43	76.9 Å²	76.9	19%	0.187	37%	0.367	C	S	.	.	H	α-helix	trans	-62.5	-47.3	174.3	-74.8	167.6	-174.5	-90.2	0	111.8	L201 F204 L245 D246 N251 K252 V253	L201-K249 HydrophobicContact CB-CG 4.24Å; L201-K249 HydrophobicContact CD2-CG 4.31Å; L201-K249 PolarHBondContact O-NZ 2.88Å; F204-K249 PolarHBondContact O-NZ 2.81Å; L245-K249 WeakPolarHBondContact O-CD 3.22Å; L245-K249 VanDerWaalsContact O-CG 3.3Å; L245-K249 WeakPolarHBondContact O-CG 3.37Å; L245-K249 PolarHBondContact O-N 2.6Å; D246-K249 PolarHBondContact O-N 2.93Å; K249-N251 VanDerWaalsContact C-N 3.33Å; K249-N251 PolarHBondContact O-N 3.48Å; K249-K252 PolarHBondContact O-N 3.43Å; K249-V253 WeakPolarHBondContact O-CG2 3.43Å; K249-V253 PolarHBondContact O-N 3.48Å; K249-V253 VanDerWaalsContact O-N 3.1Å
250	K	81.1	Confident	76	Confident	117 Å²	117	79.2 Å²	79.2	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-58.4	-44	175.7	-75.2	167.1	176	168.3	0	111.7	D246 E247 K252 V253 S254	D246-K250 WeakPolarHBondContact O-CB 2.81Å; D246-K250 WeakPolarHBondContact O-CG 3.37Å; D246-K250 PolarHBondContact O-N 3.35Å; D246-K250 VanDerWaalsContact OD1-CE 3.26Å; D246-K250 WeakPolarHBondContact OD1-CE 3.47Å; D246-K250 IonicContact OD1-NZ 2.76Å; D246-K250 WeakPolarHBondContact OD2-CE 3.42Å; D246-K250 IonicContact OD2-NZ 2.7Å; D246-K250 PolarHBondContact OD2-NZ 3.44Å; E247-K250 PolarHBondContact O-N 3.43Å; K250-K252 PolarHBondContact O-N 2.89Å; K250-V253 PolarHBondContact O-N 3.42Å; K250-S254 PolarHBondContact O-N 2.85Å; K250-S254 PolarHBondContact O-OG 3.23Å
251	N	79.6	Confident	74.2	Confident	95 Å²	95	82.1 Å²	82.1	51%	0.508	39%	0.391	S	S	.	.	H	α-helix	trans	-66.7	-33.8	178.2	-74	-33.2	0	0	0	113.3	E247 T248 K249 K255	E247-N251 VanDerWaalsContact O-CB 3.28Å; E247-N251 WeakPolarHBondContact O-CB 3.48Å; E247-N251 PolarHBondContact O-N 3.41Å; E247-N251 PolarHBondContact O-ND2 3.2Å; E247-N251 VanDerWaalsContact O-ND2 3.08Å; T248-N251 PolarHBondContact O-N 2.94Å; K249-N251 VanDerWaalsContact C-N 3.33Å; K249-N251 PolarHBondContact O-N 3.48Å; N251-K255 WeakPolarHBondContact O-CB 3.31Å; N251-K255 WeakPolarHBondContact O-CG 3.2Å; N251-K255 PolarHBondContact O-N 2.9Å; N251-K255 VanDerWaalsContact O-N 3.1Å
252	K	77.1	Confident	72	Confident	34 Å²	34	89.7 Å²	89.7	15%	0.148	43%	0.427	C	S	.	.	H	α-helix	trans	-63.1	-51.5	171.5	-165.5	-170.5	-174.5	-163.7	0	110.5	D200 L201 E202 T248 K249 K250 S254 K255 E256	D200-K252 IonicContact OD1-NZ 2.74Å; D200-K252 PolarHBondContact OD1-NZ 2.8Å; D200-K252 IonicContact OD2-NZ 3.1Å; L201-K252 HydrophobicContact CB-CD 4.21Å; L201-K252 HydrophobicContact CD1-CD 4.42Å; E202-K252 IonicContact OE1-NZ 3.17Å; E202-K252 PolarHBondContact OE1-NZ 3.47Å; T248-K252 PolarHBondContact O-N 3.31Å; K249-K252 PolarHBondContact O-N 3.43Å; K250-K252 PolarHBondContact O-N 2.89Å; K252-S254 VanDerWaalsContact C-N 3.35Å; K252-S254 PolarHBondContact O-N 2.88Å; K252-K255 PolarHBondContact O-N 3.47Å; K252-K255 VanDerWaalsContact O-N 3.14Å; K252-E256 VanDerWaalsContact CE-OE1 3.26Å; K252-E256 WeakPolarHBondContact CE-OE1 3.22Å; K252-E256 IonicContact NZ-OE1 3.62Å; K252-E256 PolarHBondContact O-N 3.11Å
253	V	74.5	Confident	69.7	Low	79 Å²	79	95.6 Å²	95.6	48%	0.479	45%	0.453	S	S	.	.	H	α-helix	trans	-59.5	-42.1	179.7	174.5	0	0	0	0	112	K249 K250 E256 K257	K249-V253 WeakPolarHBondContact O-CG2 3.43Å; K249-V253 PolarHBondContact O-N 3.48Å; K249-V253 VanDerWaalsContact O-N 3.1Å; K250-V253 PolarHBondContact O-N 3.42Å; V253-E256 PolarHBondContact O-N 3.02Å; V253-K257 PolarHBondContact O-N 3.48Å
254	S	70.9	Confident	67.7	Low	59 Å²	59	96.2 Å²	96.2	41%	0.413	46%	0.464	S	S	.	.	H	α-helix	trans	-65.5	-39.8	176.3	-62.7	0	0	0	0	112.7	K250 K252 K257 H258	K250-S254 PolarHBondContact O-N 2.85Å; K250-S254 PolarHBondContact O-OG 3.23Å; K252-S254 VanDerWaalsContact C-N 3.35Å; K252-S254 PolarHBondContact O-N 2.88Å; S254-K257 PolarHBondContact O-N 2.85Å; S254-H258 PolarHBondContact O-CD2 2.84Å; S254-H258 PolarHBondContact O-N 3Å; S254-H258 VanDerWaalsContact O-N 3.13Å
255	K	70.1	Confident	65.5	Low	136 Å²	136	99.9 Å²	99.9	59%	0.591	49%	0.49	S	S	*	.	H	α-helix	trans	-67.8	-33.1	175.5	-77.7	-174.6	174	-171.7	0	112.9	N251 K252 K259	N251-K255 WeakPolarHBondContact O-CB 3.31Å; N251-K255 WeakPolarHBondContact O-CG 3.2Å; N251-K255 PolarHBondContact O-N 2.9Å; N251-K255 VanDerWaalsContact O-N 3.1Å; K252-K255 PolarHBondContact O-N 3.47Å; K252-K255 VanDerWaalsContact O-N 3.14Å; K255-K259 WeakPolarHBondContact O-CB 3.17Å; K255-K259 PolarHBondContact O-N 3.32Å
256	E	66.2	Low	62.9	Low	80 Å²	80	108 Å²	108	37%	0.374	53%	0.53	S	S	.	.	H	α-helix	trans	-73.3	-33.6	175.3	-75	178.6	-171.7	0	0	113.2	K252 V253 K260	K252-E256 VanDerWaalsContact CE-OE1 3.26Å; K252-E256 WeakPolarHBondContact CE-OE1 3.22Å; K252-E256 IonicContact NZ-OE1 3.62Å; K252-E256 PolarHBondContact O-N 3.11Å; V253-E256 PolarHBondContact O-N 3.02Å; E256-K260 PolarHBondContact O-N 3.35Å
257	K	60.4	Low	60.3	Low	138 Å²	138	109.5 Å²	109.5	60%	0.6	55%	0.547	S	S	*	.	H	α-helix	trans	-61.5	-51.4	169.6	-75.9	-174.8	174.7	-169.9	0	111.1	V253 S254 K259 K260 E261	V253-K257 PolarHBondContact O-N 3.48Å; S254-K257 PolarHBondContact O-N 2.85Å; K257-K259 PolarHBondContact O-N 3.48Å; K257-K260 PolarHBondContact O-N 3.29Å; K257-K260 VanDerWaalsContact O-N 3.11Å; K257-E261 PolarHBondContact O-N 2.95Å
258	H	54.5	Low	58.5	Low	111 Å²	111	110.2 Å²	110.2	51%	0.514	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-36.3	178.8	-71.1	-42.1	0	0	0	113.5	S254 K260 E261 E262	S254-H258 PolarHBondContact O-CD2 2.84Å; S254-H258 PolarHBondContact O-N 3Å; S254-H258 VanDerWaalsContact O-N 3.13Å; H258-K260 VanDerWaalsContact C-N 3.29Å; H258-K260 PolarHBondContact O-N 2.89Å; H258-E261 IonicContact CE1-OE2 3.14Å; H258-E261 IonicContact CG-OE2 2.78Å; H258-E261 IonicContact ND1-OE2 2.85Å; H258-E261 PolarHBondContact ND1-OE2 2.83Å; H258-E261 PolarHBondContact O-N 3.4Å; H258-E262 PolarHBondContact O-N 2.86Å
259	K	55.8	Low	56	Low	140 Å²	140	116.4 Å²	116.4	61%	0.609	60%	0.599	S	S	*	*	H	α-helix	trans	-60.1	-35.8	172.2	-91.8	-170	167.5	-167.9	0	113.7	K255 K257 E261 E262 E263	K255-K259 WeakPolarHBondContact O-CB 3.17Å; K255-K259 PolarHBondContact O-N 3.32Å; K257-K259 PolarHBondContact O-N 3.48Å; K259-E261 VanDerWaalsContact C-N 3.29Å; K259-E262 PolarHBondContact O-N 3.29Å; K259-E263 PolarHBondContact O-N 3.36Å
260	K	50.5	Low	53.6	Low	171 Å²	171	124 Å²	124	74%	0.743	63%	0.626	S	S	*	*	H	α-helix	trans	-73.2	-21.4	175.2	-75.3	178.1	176.5	174	0	113.2	E256 K257 H258	E256-K260 PolarHBondContact O-N 3.35Å; K257-K260 PolarHBondContact O-N 3.29Å; K257-K260 VanDerWaalsContact O-N 3.11Å; H258-K260 VanDerWaalsContact C-N 3.29Å; H258-K260 PolarHBondContact O-N 2.89Å
261	E	49.1	Very low	51.6	Low	137 Å²	137	123.3 Å²	123.3	64%	0.64	64%	0.642	S	S	*	*	H	α-helix	trans	-84.4	-30.5	173.7	-67.5	169.6	158	0	0	112.1	K257 H258 K259	K257-E261 PolarHBondContact O-N 2.95Å; H258-E261 IonicContact CE1-OE2 3.14Å; H258-E261 IonicContact CG-OE2 2.78Å; H258-E261 IonicContact ND1-OE2 2.85Å; H258-E261 PolarHBondContact ND1-OE2 2.83Å; H258-E261 PolarHBondContact O-N 3.4Å; K259-E261 VanDerWaalsContact C-N 3.29Å
262	E	43.7	Very low	49.2	Very low	161 Å²	161	126.3 Å²	126.3	75%	0.752	65%	0.653	S	S	*	*	H	α-helix	trans	-85.5	-18.5	-179.4	-71.2	-176.3	146.6	0	0	114.9	H258 K259 V264	H258-E262 PolarHBondContact O-N 2.86Å; K259-E262 PolarHBondContact O-N 3.29Å; E262-V264 VanDerWaalsContact C-N 3.25Å; E262-V264 PolarHBondContact O-N 2.85Å
263	E	39.2	Very low	47.4	Very low	156 Å²	156	131.8 Å²	131.8	73%	0.729	69%	0.689	S	S	*	*	S	Bend	trans	-79.9	18.5	-177.7	-87	-172.1	177.3	0	0	115.8	K259 P265	K259-E263 PolarHBondContact O-N 3.36Å; E263-P265 WeakPolarHBondContact O-CD 3.37Å
264	V	43.1	Very low	45.4	Very low	125 Å²	125	133 Å²	133	76%	0.758	70%	0.701	S	S	*	*			trans	-119	91.2	175.6	-172	0	0	0	0	113.2	E262	E262-V264 VanDerWaalsContact C-N 3.25Å; E262-V264 PolarHBondContact O-N 2.85Å
265	P	42.3	Very low	43.6	Very low	111 Å²	111	137.4 Å²	137.4	72%	0.721	73%	0.726	S	S	*	*			trans	-98.5	113.9	166.6	11.8	7.8	0	0	0	112.2	E263	E263-P265 WeakPolarHBondContact O-CD 3.37Å
266	M	30.2	Very low	41.9	Very low	174 Å²	174	138 Å²	138	86%	0.857	74%	0.735	S	S	*	*			trans	25.3	125.3	150.2	-57.5	-167.5	-64.1	0	0	120.8
267	S	28.7	Very low	40.4	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	75%	0.75	S	S	*	*				-174.7	145.2	106.4	-78.5	0	0	0	0	112.2
268	P	45.6	Very low	39.1	Very low	130 Å²	130	142 Å²	142	84%	0.844	76%	0.763	S	S	*	*			trans	-85.7	132.4	178.4	33.6	-32.3	0	0	0	111.6
269	V	31.7	Very low	38.1	Very low	139 Å²	139	144.5 Å²	144.5	84%	0.842	78%	0.78	S	S	*	*			trans	-122.9	130.3	169.3	-178.4	0	0	0	0	110.1
270	R	30.2	Very low	37.3	Very low	204 Å²	204	146.4 Å²	146.4	77%	0.77	79%	0.793	S	S	*	*			trans	-49.5	146.9	176	-77.1	171.3	164.7	156.2	-4.6	112.8	E272	R270-E272 HydrophobicContact CB-CG 4.35Å; R270-E272 PolarHBondContact O-N 3.15Å
271	A	40.1	Very low	36.5	Very low	101 Å²	101	146.9 Å²	146.9	84%	0.835	80%	0.798	S	S	*	*			trans	-66	122.9	150.9	0	0	0	0	0	109.1
272	E	28.7	Very low	35.8	Very low	159 Å²	159	148 Å²	148	74%	0.743	81%	0.809	S	S	*	*			trans	-123.3	125.6	163.8	-72.8	-169	-180	0	0	109.2	R270	R270-E272 HydrophobicContact CB-CG 4.35Å; R270-E272 PolarHBondContact O-N 3.15Å
273	V	38.9	Very low	35.3	Very low	148 Å²	148	149.5 Å²	149.5	90%	0.897	82%	0.815	S	S	*	*			trans	-103	107.1	179.8	179.4	0	0	0	0	107.7
274	S	34.3	Very low	34.9	Very low	105 Å²	105	151.3 Å²	151.3	73%	0.734	82%	0.824	S	S	*	*			trans	-170.2	114.7	150.9	66.4	0	0	0	0	112.7
275	T	32.4	Very low	34.4	Very low	152 Å²	152	151.3 Å²	151.3	93%	0.933	82%	0.824	S	S	*	*			trans	-139.3	149.3	148.1	-28.9	0	0	0	0	108.6
276	N	34.4	Very low	34	Very low	147 Å²	147	152 Å²	152	79%	0.786	83%	0.826	S	S	*	*			trans	-78.4	160	-152	-82.5	-43.7	0	0	0	117.1	F278	N276-F278 PolarHBondContact O-N 3.05Å
277	P	35.3	Very low	34	Very low	107 Å²	107	152.9 Å²	152.9	70%	0.695	83%	0.828	S	S	*	*	S	Bend	trans	-100.1	58.9	-170.1	40.2	-34.9	0	0	0	113.1
278	F	32.5	Very low	34.5	Very low	196 Å²	196	153 Å²	153	86%	0.86	83%	0.829	S	S	*	*			trans	-141.5	53.5	-178.8	-88.7	-75.9	0	0	0	112.8	N276	N276-F278 PolarHBondContact O-N 3.05Å
279	D	33.8	Very low	34	Very low	163 Å²	163	155.6 Å²	155.6	87%	0.872	83%	0.83	S	S	*	*			trans	-141.6	101	156	-122.9	-12.7	0	0	0	107.9
280	M	37.9	Very low	34.2	Very low	180 Å²	180	154.5 Å²	154.5	89%	0.887	82%	0.82	S	S	*	*			trans	-130.1	92.4	177.7	-82.8	-79.1	-60.8	0	0	105.9
281	E	34	Very low	34.8	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	82%	0.822	S	S	*	*			trans	-145.4	100.2	164	-113.2	166.6	-141.6	0	0	109.5
282	D	34	Very low	35	Very low	161 Å²	161	146.7 Å²	146.7	86%	0.861	79%	0.789	S	S	*	*			trans	70.5	132.9	151.6	-56.4	-17.8	0	0	0	122.9
283	E	33.7	Very low	36	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	78%	0.778	S	S	*	*			trans	-87.8	154.2	-173.7	-54.4	169.7	128.7	0	0	112.2
284	E	31.9	Very low	36.7	Very low	194 Å²	194	138.1 Å²	138.1	91%	0.907	74%	0.743	S	S	*	*				-166.5	157.1	122.7	-112.8	-179	-159.3	0	0	113.5
285	T	32.1	Very low	37.4	Very low	125 Å²	125	136.5 Å²	136.5	77%	0.767	73%	0.731	S	S	*	*			trans	-148.1	162.5	-174.2	60.1	0	0	0	0	110.2
286	V	33.1	Very low	38.7	Very low	127 Å²	127	133.2 Å²	133.2	77%	0.77	71%	0.707	S	S	*	*			cis	-120.7	-172.4	11.1	-142.1	0	0	0	0	109.7
287	E	30.7	Very low	39.8	Very low	191 Å²	191	133.5 Å²	133.5	89%	0.893	70%	0.703	S	S	*	*				-176.4	161.2	69.1	-83.1	-176.5	157.3	0	0	110.3
288	S	39.8	Very low	41.6	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	69%	0.685	S	S	*	*			trans	-119	122.1	-173	54.3	0	0	0	0	112.9
289	E	33.8	Very low	43.3	Very low	185 Å²	185	123 Å²	123	86%	0.864	64%	0.644	S	S	*	*			trans	-164	129.4	168.5	-93.9	172.3	-163.2	0	0	107.1
290	D	36.5	Very low	45	Very low	116 Å²	116	121.3 Å²	121.3	62%	0.62	63%	0.631	S	S	*	*			cis	-142	107.6	-11.2	-87.9	-37.6	0	0	0	109	P333	D290-P333 HydrophobicContact CB-CG 4.33Å
291	S	41.8	Very low	46.8	Very low	118 Å²	118	117.9 Å²	117.9	83%	0.825	61%	0.613	S	S	*	*			trans	-94.5	97.2	168.2	61.5	0	0	0	0	109.9	D293	S291-D293 PolarHBondContact O-N 3.44Å
292	V	45.4	Very low	48.9	Very low	22 Å²	22	109.3 Å²	109.3	13%	0.133	57%	0.573	C	S	.	*			trans	-52.8	112.1	179.3	-174.3	0	0	0	0	110.9	L294 Q332 P333 T335 V338	V292-L294 HydrophobicContact CG1-CD2 4.39Å; V292-L294 HydrophobicContact CG1-CG 4.13Å; V292-L294 PolarHBondContact O-N 2.87Å; V292-Q332 HydrophobicContact CG1-CB 4.45Å; V292-Q332 HydrophobicContact CG1-CG 4.31Å; V292-Q332 VanDerWaalsContact CG1-OE1 3.24Å; V292-Q332 VanDerWaalsContact CG2-OE1 3.29Å; V292-P333 HydrophobicContact CG2-CG 3.7Å; V292-T335 HydrophobicContact CG2-CG2 4.36Å; V292-V338 HydrophobicContact CG1-CG2 4.23Å
293	D	49.4	Very low	50.9	Low	98 Å²	98	102.7 Å²	102.7	52%	0.524	54%	0.539	S	S	.	.			trans	-81.1	86.8	-176	-169.2	7.5	0	0	0	111.8	S291 S295	S291-D293 PolarHBondContact O-N 3.44Å; D293-S295 VanDerWaalsContact CG-OG 3.24Å; D293-S295 PolarHBondContact O-N 3.07Å; D293-S295 WeakPolarHBondContact OD1-CB 3.47Å; D293-S295 PolarHBondContact OD1-N 2.83Å; D293-S295 VanDerWaalsContact OD1-N 3.07Å; D293-S295 PolarHBondContact OD1-OG 2.83Å; D293-S295 PolarHBondContact OD2-OG 3.37Å
294	L	53.1	Low	53	Low	30 Å²	30	100.5 Å²	100.5	16%	0.157	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	17.3	175	-66.8	163.2	0	0	0	113	V292 I299 Q300 K337 V338	V292-L294 HydrophobicContact CG1-CD2 4.39Å; V292-L294 HydrophobicContact CG1-CG 4.13Å; V292-L294 PolarHBondContact O-N 2.87Å; L294-I299 HydrophobicContact CD2-CG2 4.39Å; L294-Q300 PolarHBondContact O-NE2 2.89Å; L294-K337 HydrophobicContact CD1-CB 3.33Å; L294-K337 HydrophobicContact CD1-CD 4.2Å; L294-K337 HydrophobicContact CD1-CG 4.42Å; L294-V338 HydrophobicContact CD1-CG2 4.03Å; L294-V338 HydrophobicContact CD2-CG2 4.26Å
295	S	50.7	Low	55.4	Low	70 Å²	70	94.4 Å²	94.4	49%	0.49	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.7	177.7	72.8	0	0	0	0	114.3	D293 E297	D293-S295 VanDerWaalsContact CG-OG 3.24Å; D293-S295 PolarHBondContact O-N 3.07Å; D293-S295 WeakPolarHBondContact OD1-CB 3.47Å; D293-S295 PolarHBondContact OD1-N 2.83Å; D293-S295 VanDerWaalsContact OD1-N 3.07Å; D293-S295 PolarHBondContact OD1-OG 2.83Å; D293-S295 PolarHBondContact OD2-OG 3.37Å; S295-E297 PolarHBondContact O-N 2.97Å; S295-E297 VanDerWaalsContact O-N 3.12Å
296	M	58.2	Low	57.7	Low	84 Å²	84	88.6 Å²	88.6	41%	0.414	47%	0.467	S	S	.	.			trans	-57.6	116.9	173.7	-73.3	-172.3	99	0	0	111.2	W298 I299 Y328	M296-W298 VanDerWaalsContact C-N 3.28Å; M296-W298 PolarHBondContact O-N 3.35Å; M296-W298 PolarHBondContact SD-NE1 2.93Å; M296-W298 VanDerWaalsContact SD-NE1 3.36Å; M296-I299 HydrophobicContact CB-CD1 4.11Å; M296-I299 HydrophobicContact CB-CG1 4.16Å; M296-I299 WeakPolarHBondContact O-CB 3.46Å; M296-I299 PolarHBondContact O-N 2.7Å; M296-Y328 HydrophobicContact SD-CE2 4.32Å
297	E	58.1	Low	60	Low	153 Å²	153	85.1 Å²	85.1	72%	0.715	44%	0.443	S	S	*	.	H	α-helix	trans	-52.1	-43.6	-174.6	-65.7	172.7	147	0	0	112.3	S295 I299 Q300 E301	S295-E297 PolarHBondContact O-N 2.97Å; S295-E297 VanDerWaalsContact O-N 3.12Å; E297-I299 PolarHBondContact O-N 2.85Å; E297-I299 VanDerWaalsContact O-N 3.08Å; E297-Q300 WeakPolarHBondContact O-CA 3.27Å; E297-Q300 WeakPolarHBondContact O-CB 3.33Å; E297-Q300 PolarHBondContact O-N 2.96Å; E297-E301 PolarHBondContact O-N 3.22Å
298	W	72.8	Confident	62.5	Low	79 Å²	79	79.5 Å²	79.5	30%	0.299	42%	0.422	S	S	.	.	H	α-helix	trans	-59.3	-24.1	179	79.3	-90.1	0	0	0	114.5	M296 L302 Y328	M296-W298 VanDerWaalsContact C-N 3.28Å; M296-W298 PolarHBondContact O-N 3.35Å; M296-W298 PolarHBondContact SD-NE1 2.93Å; M296-W298 VanDerWaalsContact SD-NE1 3.36Å; W298-L302 HydrophobicContact CE3-CD1 4.21Å; W298-L302 HydrophobicContact CZ3-CD1 4.18Å; W298-L302 WeakPolarHBondContact O-CB 3.41Å; W298-L302 PolarHBondContact O-N 3.04Å; W298-Y328 HydrophobicContact CZ2-CD2 4.42Å; W298-Y328 HydrophobicContact CZ2-CG 4.29Å
299	I	69.7	Low	64.5	Low	2 Å²	2	75.2 Å²	75.2	1%	0.01	39%	0.392	C	S	.	.	H	α-helix	trans	-79.5	-30.1	176.3	-59.7	-177.9	0	0	0	110.6	L294 M296 E297 Y328 L341	L294-I299 HydrophobicContact CD2-CG2 4.39Å; M296-I299 HydrophobicContact CB-CD1 4.11Å; M296-I299 HydrophobicContact CB-CG1 4.16Å; M296-I299 WeakPolarHBondContact O-CB 3.46Å; M296-I299 PolarHBondContact O-N 2.7Å; E297-I299 PolarHBondContact O-N 2.85Å; E297-I299 VanDerWaalsContact O-N 3.08Å; I299-Y328 HydrophobicContact CD1-CD1 4.11Å; I299-Y328 HydrophobicContact CD1-CE1 3.75Å; I299-L341 HydrophobicContact CG2-CD1 3.72Å; I299-L341 HydrophobicContact CG2-CD2 3.62Å; I299-L341 HydrophobicContact CG2-CG 4.33Å
300	Q	68.4	Low	66.7	Low	129 Å²	129	67.5 Å²	67.5	60%	0.603	36%	0.357	S	S	*	.	H	α-helix	trans	-79.7	-35.8	177	-58.1	-172.6	17.2	0	0	111.4	L294 E297 P303	L294-Q300 PolarHBondContact O-NE2 2.89Å; E297-Q300 WeakPolarHBondContact O-CA 3.27Å; E297-Q300 WeakPolarHBondContact O-CB 3.33Å; E297-Q300 PolarHBondContact O-N 2.96Å; Q300-P303 WeakPolarHBondContact O-CD 3.47Å
301	E	76.4	Confident	68.7	Low	108 Å²	108	66 Å²	66	51%	0.505	36%	0.36	S	S	.	.	H	α-helix	trans	-77	-24.6	175	-65.2	178.9	152	0	0	112.7	E297 P303 E304 D305	E297-E301 PolarHBondContact O-N 3.22Å; E301-P303 VanDerWaalsContact C-N 3.35Å; E301-P303 VanDerWaalsContact O-N 3.1Å; E301-E304 WeakPolarHBondContact O-CA 3.41Å; E301-E304 WeakPolarHBondContact O-CB 3.42Å; E301-E304 PolarHBondContact O-N 3.26Å; E301-D305 PolarHBondContact O-N 3.39Å
302	L	77.4	Confident	70.4	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-45.8	-43.2	-178.3	-162.9	74	0	0	0	115.7	W298 E304 L306 L321 L325 V345	W298-L302 HydrophobicContact CE3-CD1 4.21Å; W298-L302 HydrophobicContact CZ3-CD1 4.18Å; W298-L302 WeakPolarHBondContact O-CB 3.41Å; W298-L302 PolarHBondContact O-N 3.04Å; L302-E304 VanDerWaalsContact C-N 3.29Å; L302-E304 PolarHBondContact O-N 3.31Å; L302-L306 HydrophobicContact CG-CD1 4.27Å; L302-L306 WeakPolarHBondContact O-CB 3.48Å; L302-L306 WeakPolarHBondContact O-CG 3.48Å; L302-L306 PolarHBondContact O-N 3.49Å; L302-L321 HydrophobicContact CD1-CB 3.96Å; L302-L321 HydrophobicContact CD1-CD2 4.05Å; L302-L321 HydrophobicContact CD1-CG 4.42Å; L302-L325 HydrophobicContact CD2-CB 3.92Å; L302-L325 HydrophobicContact CD2-CD1 3.89Å; L302-L325 HydrophobicContact CD2-CD2 3.7Å; L302-L325 HydrophobicContact CD2-CG 4.02Å; L302-V345 HydrophobicContact CD2-CG2 4.42Å
303	P	75.2	Confident	71.9	Confident	22 Å²	22	72 Å²	72	14%	0.143	37%	0.368	C	S	.	.	H	α-helix	trans	-69.4	-26.7	178.9	-16.9	33.4	0	0	0	113.2	Q300 E301 D307	Q300-P303 WeakPolarHBondContact O-CD 3.47Å; E301-P303 VanDerWaalsContact C-N 3.35Å; E301-P303 VanDerWaalsContact O-N 3.1Å; P303-D307 PolarHBondContact O-N 3.34Å
304	E	78.8	Confident	73.4	Confident	145 Å²	145	70.7 Å²	70.7	68%	0.678	36%	0.361	S	S	*	.	H	α-helix	trans	-82.6	-41.4	176.3	-57.9	-168.4	-180	0	0	110.5	E301 L302 L306 D307 V308	E301-E304 WeakPolarHBondContact O-CA 3.41Å; E301-E304 WeakPolarHBondContact O-CB 3.42Å; E301-E304 PolarHBondContact O-N 3.26Å; L302-E304 VanDerWaalsContact C-N 3.29Å; L302-E304 PolarHBondContact O-N 3.31Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.97Å; E304-D307 WeakPolarHBondContact O-CB 3.45Å; E304-D307 PolarHBondContact O-N 3.14Å; E304-D307 VanDerWaalsContact O-N 3.11Å; E304-V308 WeakPolarHBondContact O-CG2 3.4Å; E304-V308 PolarHBondContact O-N 3.41Å
305	D	82.4	Confident	74.7	Confident	67 Å²	67	70.4 Å²	70.4	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-42	171.6	-82.1	-19.4	0	0	0	112.1	E301 D307 V308 C309 L321	E301-D305 PolarHBondContact O-N 3.39Å; D305-D307 VanDerWaalsContact C-N 3.32Å; D305-D307 PolarHBondContact O-N 3.14Å; D305-V308 PolarHBondContact O-N 3.03Å; D305-C309 PolarHBondContact O-N 3.3Å; D305-C309 PolarHBondContact O-SG 3.42Å; D305-C309 VanDerWaalsContact O-SG 3.41Å; D305-L321 HydrophobicContact CB-CD1 4.09Å
306	L	80.9	Confident	76.3	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.016	35%	0.351	C	S	.	.	H	α-helix	trans	-60.9	-40.7	174.2	-76.6	169.1	0	0	0	111.9	L302 E304 C309 I310 A318 L321 L322 V345	L302-L306 HydrophobicContact CG-CD1 4.27Å; L302-L306 WeakPolarHBondContact O-CB 3.48Å; L302-L306 WeakPolarHBondContact O-CG 3.48Å; L302-L306 PolarHBondContact O-N 3.49Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.97Å; L306-C309 PolarHBondContact O-N 3.22Å; L306-I310 WeakPolarHBondContact O-CB 3.33Å; L306-I310 WeakPolarHBondContact O-CD1 3.45Å; L306-I310 WeakPolarHBondContact O-CG1 3.29Å; L306-I310 PolarHBondContact O-N 3.14Å; L306-A318 HydrophobicContact CD2-CB 4.14Å; L306-A318 WeakPolarHBondContact CD2-O 3.39Å; L306-L321 HydrophobicContact CD2-CB 4.29Å; L306-L322 HydrophobicContact CD1-CD2 3.9Å; L306-L322 HydrophobicContact CD1-CG 4.5Å; L306-L322 HydrophobicContact CD2-CD1 4.35Å; L306-L322 HydrophobicContact CD2-CD2 4.25Å; L306-L322 HydrophobicContact CD2-CG 3.95Å; L306-V345 HydrophobicContact CD1-CG1 4.45Å
307	D	80.4	Confident	77.4	Confident	53 Å²	53	67.2 Å²	67.2	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-40.6	175.1	-83.6	3.5	0	0	0	112	P303 E304 D305 I310 A311 R348	P303-D307 PolarHBondContact O-N 3.34Å; E304-D307 WeakPolarHBondContact O-CB 3.45Å; E304-D307 PolarHBondContact O-N 3.14Å; E304-D307 VanDerWaalsContact O-N 3.11Å; D305-D307 VanDerWaalsContact C-N 3.32Å; D305-D307 PolarHBondContact O-N 3.14Å; D307-I310 PolarHBondContact O-N 3.37Å; D307-A311 VanDerWaalsContact O-CB 3.28Å; D307-A311 WeakPolarHBondContact O-CB 3.31Å; D307-A311 PolarHBondContact O-N 3.01Å; D307-R348 VanDerWaalsContact CG-CZ 3.42Å; D307-R348 IonicContact OD1-CZ 2.7Å; D307-R348 IonicContact OD1-NE 3.93Å; D307-R348 IonicContact OD1-NH1 2.71Å; D307-R348 PolarHBondContact OD1-NH1 2.92Å; D307-R348 IonicContact OD1-NH2 3.18Å; D307-R348 PolarHBondContact OD1-NH2 3.05Å; D307-R348 IonicContact OD2-CZ 2.63Å; D307-R348 IonicContact OD2-NH1 3.2Å; D307-R348 PolarHBondContact OD2-NH1 3.48Å; D307-R348 IonicContact OD2-NH2 3.5Å; D307-R348 PolarHBondContact OD2-NH2 3.31Å
308	V	83.8	Confident	78.7	Confident	74 Å²	74	60 Å²	60	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-46.5	174.9	173.6	0	0	0	0	110.7	E304 D305 A311 Q312	E304-V308 WeakPolarHBondContact O-CG2 3.4Å; E304-V308 PolarHBondContact O-N 3.41Å; D305-V308 PolarHBondContact O-N 3.03Å; V308-A311 PolarHBondContact O-N 2.69Å; V308-Q312 HydrophobicContact CG1-CG 4.4Å; V308-Q312 WeakPolarHBondContact O-CB 3.24Å; V308-Q312 VanDerWaalsContact O-CG 3.3Å; V308-Q312 WeakPolarHBondContact O-CG 3.46Å; V308-Q312 PolarHBondContact O-N 2.79Å
309	C	80.9	Confident	79.1	Confident	21 Å²	21	56.2 Å²	56.2	14%	0.142	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-42.7	176	-71.1	0	0	0	0	112.3	D305 L306 Q312 R313 D314 A318	D305-C309 PolarHBondContact O-N 3.3Å; D305-C309 PolarHBondContact O-SG 3.42Å; D305-C309 VanDerWaalsContact O-SG 3.41Å; L306-C309 PolarHBondContact O-N 3.22Å; C309-Q312 PolarHBondContact O-N 2.95Å; C309-R313 PolarHBondContact O-N 3.39Å; C309-D314 PolarHBondContact O-N 3.37Å; C309-A318 HydrophobicContact CB-CB 3.81Å
310	I	79.8	Confident	79.9	Confident	23 Å²	23	59.4 Å²	59.4	12%	0.118	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-45	175	-70	162.3	0	0	0	110.6	L306 D307 R313 L352 V355	L306-I310 WeakPolarHBondContact O-CB 3.33Å; L306-I310 WeakPolarHBondContact O-CD1 3.45Å; L306-I310 WeakPolarHBondContact O-CG1 3.29Å; L306-I310 PolarHBondContact O-N 3.14Å; D307-I310 PolarHBondContact O-N 3.37Å; I310-R313 PolarHBondContact O-N 2.98Å; I310-L352 HydrophobicContact CD1-CB 4Å; I310-L352 HydrophobicContact CG1-CB 4.17Å; I310-L352 HydrophobicContact CG1-CD1 4.05Å; I310-V355 HydrophobicContact CG2-CG2 4.23Å
311	A	78.6	Confident	80.6	Confident	84 Å²	84	54.8 Å²	54.8	69%	0.694	29%	0.288	S	S	*	.	H	α-helix	trans	-66	-39.8	178.9	0	0	0	0	0	112.8	D307 V308 R313	D307-A311 VanDerWaalsContact O-CB 3.28Å; D307-A311 WeakPolarHBondContact O-CB 3.31Å; D307-A311 PolarHBondContact O-N 3.01Å; V308-A311 PolarHBondContact O-N 2.69Å; A311-R313 PolarHBondContact O-N 3.32Å
312	Q	78.8	Confident	80.8	Confident	143 Å²	143	49.9 Å²	49.9	67%	0.668	27%	0.265	S	S	*	.	H	α-helix	trans	-74.4	-10.8	175	-68.1	-175.5	26.5	0	0	113.4	V308 C309 D314	V308-Q312 HydrophobicContact CG1-CG 4.4Å; V308-Q312 WeakPolarHBondContact O-CB 3.24Å; V308-Q312 VanDerWaalsContact O-CG 3.3Å; V308-Q312 WeakPolarHBondContact O-CG 3.46Å; V308-Q312 PolarHBondContact O-N 2.79Å; C309-Q312 PolarHBondContact O-N 2.95Å; Q312-D314 PolarHBondContact O-N 2.9Å
313	R	75.6	Confident	81.1	Confident	123 Å²	123	52.8 Å²	52.8	46%	0.464	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	25.8	-171.9	-55.8	169.7	160.3	-123.1	-14.4	113.5	C309 I310 A311 F315 E359	C309-R313 PolarHBondContact O-N 3.39Å; I310-R313 PolarHBondContact O-N 2.98Å; A311-R313 PolarHBondContact O-N 3.32Å; R313-F315 VanDerWaalsContact C-N 3.31Å; R313-F315 HydrophobicContact CB-CE1 4.38Å; R313-F315 HydrophobicContact CB-CE2 4.21Å; R313-F315 HydrophobicContact CB-CZ 3.92Å; R313-F315 HydrophobicContact CG-CZ 4.2Å; R313-F315 PolarHBondContact O-N 3.35Å; R313-F315 VanDerWaalsContact O-N 3.13Å; R313-E359 IonicContact CZ-OE1 2.64Å; R313-E359 IonicContact CZ-OE2 3.48Å; R313-E359 IonicContact NH1-OE1 2.73Å; R313-E359 PolarHBondContact NH1-OE1 3.4Å; R313-E359 IonicContact NH1-OE2 2.73Å; R313-E359 PolarHBondContact NH1-OE2 3.49Å; R313-E359 IonicContact NH2-OE1 3.87Å; R313-E359 PolarHBondContact NH2-OE1 2.82Å
314	D	81.6	Confident	81.5	Confident	70 Å²	70	57.5 Å²	57.5	37%	0.374	30%	0.299	S	S	.	.			trans	-84.1	80.4	168.2	-173.3	6	0	0	0	109.9	C309 Q312 E316 G317 A318	C309-D314 PolarHBondContact O-N 3.37Å; Q312-D314 PolarHBondContact O-N 2.9Å; D314-E316 PolarHBondContact O-N 3.44Å; D314-E316 PolarHBondContact OD1-N 2.98Å; D314-E316 VanDerWaalsContact OD1-N 3.17Å; D314-G317 PolarHBondContact OD1-N 3.08Å; D314-A318 WeakPolarHBondContact O-CB 3.42Å; D314-A318 PolarHBondContact O-N 3.44Å; D314-A318 VanDerWaalsContact O-N 3.14Å
315	F	81.5	Confident	81.5	Confident	25 Å²	25	50.8 Å²	50.8	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-72.7	-18.3	177.2	-48.8	-52.5	0	0	0	112.8	R313 V319 L352 V355 L356 E359 Q379	R313-F315 VanDerWaalsContact C-N 3.31Å; R313-F315 HydrophobicContact CB-CE1 4.38Å; R313-F315 HydrophobicContact CB-CE2 4.21Å; R313-F315 HydrophobicContact CB-CZ 3.92Å; R313-F315 HydrophobicContact CG-CZ 4.2Å; R313-F315 PolarHBondContact O-N 3.35Å; R313-F315 VanDerWaalsContact O-N 3.13Å; F315-V319 VanDerWaalsContact O-CG2 3.31Å; F315-V319 WeakPolarHBondContact O-CG2 3.36Å; F315-V319 PolarHBondContact O-N 2.95Å; F315-L352 HydrophobicContact CD1-CD1 3.56Å; F315-L352 HydrophobicContact CE1-CD1 4.2Å; F315-L352 HydrophobicContact CG-CD1 4.44Å; F315-V355 HydrophobicContact CE1-CG1 3.74Å; F315-V355 HydrophobicContact CZ-CG1 3.79Å; F315-L356 HydrophobicContact CB-CD2 3.98Å; F315-L356 HydrophobicContact CD1-CD2 4.03Å; F315-L356 HydrophobicContact CD1-CG 4.36Å; F315-L356 HydrophobicContact CD2-CD2 3.6Å; F315-L356 HydrophobicContact CE1-CD2 4.41Å; F315-L356 HydrophobicContact CE2-CD2 4.03Å; F315-L356 HydrophobicContact CG-CD2 3.6Å; F315-L356 HydrophobicContact CG-CG 4.38Å; F315-L356 HydrophobicContact CZ-CD2 4.41Å; F315-E359 HydrophobicContact CE2-CG 4.4Å; F315-E359 HydrophobicContact CZ-CG 4.3Å; F315-Q379 HydrophobicContact CB-CG 4.06Å
316	E	83.3	Confident	81.3	Confident	70 Å²	70	51.6 Å²	51.6	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-75.7	-50.3	177.7	-47.1	-165.8	149.6	0	0	108.3	D314 A318 V319 D320 R375	D314-E316 PolarHBondContact O-N 3.44Å; D314-E316 PolarHBondContact OD1-N 2.98Å; D314-E316 VanDerWaalsContact OD1-N 3.17Å; E316-A318 PolarHBondContact O-N 3.14Å; E316-V319 PolarHBondContact O-N 3.17Å; E316-D320 VanDerWaalsContact O-CG 3.3Å; E316-D320 PolarHBondContact O-N 2.9Å; E316-R375 VanDerWaalsContact OE1-CD 3.3Å; E316-R375 WeakPolarHBondContact OE1-CD 3.28Å; E316-R375 VanDerWaalsContact OE1-CG 3.31Å; E316-R375 WeakPolarHBondContact OE1-CG 3.43Å; E316-R375 IonicContact OE1-CZ 3.07Å; E316-R375 IonicContact OE1-NE 3.66Å; E316-R375 PolarHBondContact OE1-NE 2.98Å; E316-R375 IonicContact OE1-NH2 2.84Å; E316-R375 IonicContact OE2-CZ 3.49Å; E316-R375 IonicContact OE2-NE 3.14Å; E316-R375 IonicContact OE2-NH2 2.77Å
317	G	82	Confident	81.3	Confident	17 Å²	17	58 Å²	58	18%	0.175	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-41.9	173.9	0	0	0	0	0	114	D314 V319 D320 L321	D314-G317 PolarHBondContact OD1-N 3.08Å; G317-V319 VanDerWaalsContact C-N 3.34Å; G317-V319 PolarHBondContact O-N 3.47Å; G317-D320 PolarHBondContact O-N 2.91Å; G317-L321 WeakPolarHBondContact O-CG 3.42Å; G317-L321 PolarHBondContact O-N 3.07Å
318	A	84.1	Confident	81	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-41.9	176.7	0	0	0	0	0	112.8	L306 C309 D314 E316 L322 L352	L306-A318 HydrophobicContact CD2-CB 4.14Å; L306-A318 WeakPolarHBondContact CD2-O 3.39Å; C309-A318 HydrophobicContact CB-CB 3.81Å; D314-A318 WeakPolarHBondContact O-CB 3.42Å; D314-A318 PolarHBondContact O-N 3.44Å; D314-A318 VanDerWaalsContact O-N 3.14Å; E316-A318 PolarHBondContact O-N 3.14Å; A318-L322 WeakPolarHBondContact O-CG 3.39Å; A318-L322 PolarHBondContact O-N 3.39Å; A318-L352 HydrophobicContact CB-CD1 4.43Å; A318-L352 HydrophobicContact CB-CD2 4.07Å
319	V	82.6	Confident	80.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-76.3	-33.9	179.6	178.5	0	0	0	0	111.6	F315 E316 G317 L321 L322 D323 L352 Q379 R382 L383	F315-V319 VanDerWaalsContact O-CG2 3.31Å; F315-V319 WeakPolarHBondContact O-CG2 3.36Å; F315-V319 PolarHBondContact O-N 2.95Å; E316-V319 PolarHBondContact O-N 3.17Å; G317-V319 VanDerWaalsContact C-N 3.34Å; G317-V319 PolarHBondContact O-N 3.47Å; V319-L321 VanDerWaalsContact C-N 3.29Å; V319-L321 PolarHBondContact O-N 3.35Å; V319-L322 PolarHBondContact O-N 3.41Å; V319-D323 PolarHBondContact O-N 3.47Å; V319-L352 HydrophobicContact CG2-CD2 4.2Å; V319-Q379 HydrophobicContact CG2-CB 4.01Å; V319-Q379 HydrophobicContact CG2-CG 4.4Å; V319-R382 HydrophobicContact CG1-CB 3.63Å; V319-R382 HydrophobicContact CG1-CG 4.43Å; V319-R382 VanDerWaalsContact CG1-CZ 3.5Å; V319-L383 HydrophobicContact CG2-CD1 4.24Å; V319-L383 HydrophobicContact CG2-CD2 4.02Å; V319-L383 HydrophobicContact CG2-CG 3.97Å
320	D	85.4	Confident	79.9	Confident	70 Å²	70	62.9 Å²	62.9	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-62.5	-35.8	173.2	-70.8	0.6	0	0	0	112.2	E316 G317 K324 R382	E316-D320 VanDerWaalsContact O-CG 3.3Å; E316-D320 PolarHBondContact O-N 2.9Å; G317-D320 PolarHBondContact O-N 2.91Å; D320-K324 WeakPolarHBondContact O-CD 3.4Å; D320-K324 VanDerWaalsContact O-CG 3.26Å; D320-K324 WeakPolarHBondContact O-CG 3.3Å; D320-K324 PolarHBondContact O-N 3.45Å; D320-K324 VanDerWaalsContact O-N 3.11Å; D320-R382 IonicContact OD1-CZ 3.9Å; D320-R382 IonicContact OD1-NH1 2.76Å; D320-R382 PolarHBondContact OD1-NH1 3.46Å; D320-R382 IonicContact OD1-NH2 2.69Å; D320-R382 PolarHBondContact OD1-NH2 3.06Å
321	L	82.9	Confident	79.1	Confident	32 Å²	32	69 Å²	69	17%	0.168	34%	0.344	C	S	.	.	H	α-helix	trans	-66.8	-40.3	172.4	-73.3	173.3	0	0	0	112.2	L302 D305 L306 G317 V319 L325	L302-L321 HydrophobicContact CD1-CB 3.96Å; L302-L321 HydrophobicContact CD1-CD2 4.05Å; L302-L321 HydrophobicContact CD1-CG 4.42Å; D305-L321 HydrophobicContact CB-CD1 4.09Å; L306-L321 HydrophobicContact CD2-CB 4.29Å; G317-L321 WeakPolarHBondContact O-CG 3.42Å; G317-L321 PolarHBondContact O-N 3.07Å; V319-L321 VanDerWaalsContact C-N 3.29Å; V319-L321 PolarHBondContact O-N 3.35Å; L321-L325 PolarHBondContact O-N 2.99Å; L321-L325 VanDerWaalsContact O-N 3.07Å
322	L	81.8	Confident	78.4	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-67.8	-39.5	175.7	-69	166.3	0	0	0	112.6	L306 A318 V319 L325 N326 V345 V349 L352 L383	L306-L322 HydrophobicContact CD1-CD2 3.9Å; L306-L322 HydrophobicContact CD1-CG 4.5Å; L306-L322 HydrophobicContact CD2-CD1 4.35Å; L306-L322 HydrophobicContact CD2-CD2 4.25Å; L306-L322 HydrophobicContact CD2-CG 3.95Å; A318-L322 WeakPolarHBondContact O-CG 3.39Å; A318-L322 PolarHBondContact O-N 3.39Å; V319-L322 PolarHBondContact O-N 3.41Å; L322-L325 PolarHBondContact O-N 3.41Å; L322-N326 WeakPolarHBondContact O-CB 3.39Å; L322-N326 VanDerWaalsContact O-CG 3.31Å; L322-N326 PolarHBondContact O-N 3.24Å; L322-N326 PolarHBondContact O-ND2 2.96Å; L322-N326 VanDerWaalsContact O-ND2 3.11Å; L322-V345 HydrophobicContact CD2-CG1 3.36Å; L322-V349 HydrophobicContact CD1-CG2 3.77Å; L322-V349 HydrophobicContact CD2-CG2 3.63Å; L322-V349 HydrophobicContact CG-CG2 4.36Å; L322-L352 HydrophobicContact CD1-CD2 3.94Å; L322-L383 HydrophobicContact CD1-CD2 3.58Å
323	D	82.7	Confident	77.6	Confident	63 Å²	63	63.7 Å²	63.7	34%	0.337	31%	0.31	S	S	.	.	H	α-helix	trans	-66	-42.7	177.1	-78.5	-14.9	0	0	0	110.9	V319 L325 N326 E327 R382	V319-D323 PolarHBondContact O-N 3.47Å; D323-L325 PolarHBondContact O-N 2.76Å; D323-N326 PolarHBondContact O-N 3.15Å; D323-E327 WeakPolarHBondContact O-CB 3.33Å; D323-E327 PolarHBondContact O-N 2.89Å; D323-R382 IonicContact OD2-CZ 3.94Å; D323-R382 VanDerWaalsContact OD2-CZ 3.31Å; D323-R382 IonicContact OD2-NE 3.48Å; D323-R382 PolarHBondContact OD2-NE 3.13Å; D323-R382 IonicContact OD2-NH2 3.17Å; D323-R382 PolarHBondContact OD2-NH2 2.94Å
324	K	82.9	Confident	76.9	Confident	121 Å²	121	61.1 Å²	61.1	53%	0.526	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-44.1	172.2	-73.9	167.8	-174.7	171.8	0	112.5	D320 E327 Y328	D320-K324 WeakPolarHBondContact O-CD 3.4Å; D320-K324 VanDerWaalsContact O-CG 3.26Å; D320-K324 WeakPolarHBondContact O-CG 3.3Å; D320-K324 PolarHBondContact O-N 3.45Å; D320-K324 VanDerWaalsContact O-N 3.11Å; K324-E327 PolarHBondContact O-N 2.69Å; K324-Y328 WeakPolarHBondContact O-CB 3.24Å; K324-Y328 PolarHBondContact O-N 2.88Å
325	L	79.2	Confident	76.3	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-45.9	175.3	-179.4	72.7	0	0	0	111.2	L302 L321 L322 D323 E327 Y328 L329 L341 V345	L302-L325 HydrophobicContact CD2-CB 3.92Å; L302-L325 HydrophobicContact CD2-CD1 3.89Å; L302-L325 HydrophobicContact CD2-CD2 3.7Å; L302-L325 HydrophobicContact CD2-CG 4.02Å; L321-L325 PolarHBondContact O-N 2.99Å; L321-L325 VanDerWaalsContact O-N 3.07Å; L322-L325 PolarHBondContact O-N 3.41Å; D323-L325 PolarHBondContact O-N 2.76Å; L325-E327 VanDerWaalsContact C-N 3.28Å; L325-E327 PolarHBondContact O-N 3.4Å; L325-Y328 PolarHBondContact O-N 3.29Å; L325-L329 HydrophobicContact CD1-CD1 3.84Å; L325-L329 HydrophobicContact CD1-CG 3.95Å; L325-L329 HydrophobicContact CD2-CD1 4.13Å; L325-L329 HydrophobicContact CG-CD1 3.75Å; L325-L329 HydrophobicContact CG-CG 4.12Å; L325-L329 VanDerWaalsContact O-CB 3.29Å; L325-L329 WeakPolarHBondContact O-CB 3.45Å; L325-L329 VanDerWaalsContact O-CG 3.28Å; L325-L329 WeakPolarHBondContact O-CG 3.43Å; L325-L329 PolarHBondContact O-N 2.82Å; L325-L341 HydrophobicContact CD1-CD2 3.85Å; L325-L341 HydrophobicContact CD2-CD2 4.45Å; L325-V345 HydrophobicContact CD2-CB 4.28Å; L325-V345 HydrophobicContact CD2-CG1 3.92Å; L325-V345 HydrophobicContact CD2-CG2 3.81Å
326	N	79.6	Confident	75.6	Confident	84 Å²	84	63.8 Å²	63.8	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-31.7	-179.6	-78	-39.5	0	0	0	112.7	L322 D323 K330	L322-N326 WeakPolarHBondContact O-CB 3.39Å; L322-N326 VanDerWaalsContact O-CG 3.31Å; L322-N326 PolarHBondContact O-N 3.24Å; L322-N326 PolarHBondContact O-ND2 2.96Å; L322-N326 VanDerWaalsContact O-ND2 3.11Å; D323-N326 PolarHBondContact O-N 3.15Å; N326-K330 WeakPolarHBondContact O-CG 3.2Å; N326-K330 PolarHBondContact O-N 3.46Å
327	E	80.1	Confident	74.8	Confident	137 Å²	137	67.7 Å²	67.7	64%	0.64	35%	0.354	S	S	*	.	H	α-helix	trans	-70.2	-48.7	172.3	-168.9	162.4	-136.7	0	0	111.1	D323 K324 L325 L329 K330	D323-E327 WeakPolarHBondContact O-CB 3.33Å; D323-E327 PolarHBondContact O-N 2.89Å; K324-E327 PolarHBondContact O-N 2.69Å; L325-E327 VanDerWaalsContact C-N 3.28Å; L325-E327 PolarHBondContact O-N 3.4Å; E327-L329 VanDerWaalsContact C-N 3.28Å; E327-L329 PolarHBondContact O-N 3.18Å; E327-K330 WeakPolarHBondContact O-CB 3.48Å; E327-K330 PolarHBondContact O-N 3.16Å
328	Y	75	Confident	74.2	Confident	77 Å²	77	67.1 Å²	67.1	30%	0.302	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-33.2	176.4	-168.5	-95.4	0	0	0	113.4	M296 W298 I299 K324 L325 Q332	M296-Y328 HydrophobicContact SD-CE2 4.32Å; W298-Y328 HydrophobicContact CZ2-CD2 4.42Å; W298-Y328 HydrophobicContact CZ2-CG 4.29Å; I299-Y328 HydrophobicContact CD1-CD1 4.11Å; I299-Y328 HydrophobicContact CD1-CE1 3.75Å; K324-Y328 WeakPolarHBondContact O-CB 3.24Å; K324-Y328 PolarHBondContact O-N 2.88Å; L325-Y328 PolarHBondContact O-N 3.29Å; Y328-Q332 WeakPolarHBondContact O-CG 3.36Å
329	L	71	Confident	73.6	Confident	11 Å²	11	73.6 Å²	73.6	6%	0.058	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.4	178.5	-67.5	-174.6	0	0	0	114.7	L325 E327 V338	L325-L329 HydrophobicContact CD1-CD1 3.84Å; L325-L329 HydrophobicContact CD1-CG 3.95Å; L325-L329 HydrophobicContact CD2-CD1 4.13Å; L325-L329 HydrophobicContact CG-CD1 3.75Å; L325-L329 HydrophobicContact CG-CG 4.12Å; L325-L329 VanDerWaalsContact O-CB 3.29Å; L325-L329 WeakPolarHBondContact O-CB 3.45Å; L325-L329 VanDerWaalsContact O-CG 3.28Å; L325-L329 WeakPolarHBondContact O-CG 3.43Å; L325-L329 PolarHBondContact O-N 2.82Å; E327-L329 VanDerWaalsContact C-N 3.28Å; E327-L329 PolarHBondContact O-N 3.18Å; L329-V338 HydrophobicContact CD1-CG1 4.33Å; L329-V338 HydrophobicContact CD2-CG1 3.8Å
330	K	69.4	Low	73.4	Confident	163 Å²	163	78.8 Å²	78.8	71%	0.709	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-38.8	173.9	-92.4	170	-176.5	169.1	0	112.6	N326 E327	N326-K330 WeakPolarHBondContact O-CG 3.2Å; N326-K330 PolarHBondContact O-N 3.46Å; E327-K330 WeakPolarHBondContact O-CB 3.48Å; E327-K330 PolarHBondContact O-N 3.16Å
331	D	63.7	Low	72.8	Confident	152 Å²	152	76.7 Å²	76.7	81%	0.813	39%	0.388	S	S	*	.	S	Bend	trans	-95.1	-0.7	-172.1	-60	-26.5	0	0	0	112.8
332	Q	64.4	Low	72.6	Confident	59 Å²	59	80.4 Å²	80.4	28%	0.276	40%	0.4	S	S	.	.	S	Bend	trans	-102	134.9	-173.6	-70	-71.2	-10.4	0	0	112.9	V292 Y328	V292-Q332 HydrophobicContact CG1-CB 4.45Å; V292-Q332 HydrophobicContact CG1-CG 4.31Å; V292-Q332 VanDerWaalsContact CG1-OE1 3.24Å; V292-Q332 VanDerWaalsContact CG2-OE1 3.29Å; Y328-Q332 WeakPolarHBondContact O-CG 3.36Å
333	P	60.1	Low	72.5	Confident	56 Å²	56	83.1 Å²	83.1	36%	0.364	42%	0.422	S	S	.	.			trans	-67	142.8	177.1	26.3	-33.2	0	0	0	112.2	D290 V292 T335	D290-P333 HydrophobicContact CB-CG 4.33Å; V292-P333 HydrophobicContact CG2-CG 3.7Å; P333-T335 PolarHBondContact O-N 3.02Å; P333-T335 PolarHBondContact O-OG1 3.47Å
334	A	61.1	Low	72.4	Confident	70 Å²	70	85.3 Å²	85.3	58%	0.579	43%	0.429	S	S	*	.			trans	-75	62	-171.6	0	0	0	0	0	114.5	K339	A334-K339 WeakPolarHBondContact O-CE 3.44Å
335	T	69.1	Low	72.3	Confident	48 Å²	48	79.9 Å²	79.9	29%	0.294	41%	0.406	S	S	.	.			trans	-59.9	155.6	171.7	35.3	0	0	0	0	112.1	V292 P333 K337 V338 K339	V292-T335 HydrophobicContact CG2-CG2 4.36Å; P333-T335 PolarHBondContact O-N 3.02Å; P333-T335 PolarHBondContact O-OG1 3.47Å; T335-K337 VanDerWaalsContact C-N 3.27Å; T335-K337 PolarHBondContact O-N 3.34Å; T335-V338 WeakPolarHBondContact O-CB 3.09Å; T335-V338 PolarHBondContact O-N 2.91Å; T335-V338 VanDerWaalsContact O-N 3.1Å; T335-V338 VanDerWaalsContact OG1-CG2 3.28Å; T335-V338 WeakPolarHBondContact OG1-CG2 3.42Å; T335-K339 PolarHBondContact O-N 3.41Å
336	P	67.8	Low	72.5	Confident	103 Å²	103	84 Å²	84	67%	0.669	43%	0.428	S	S	*	.	H	α-helix	trans	-60.6	-34.1	-176.3	22.6	-33.4	0	0	0	113.3	K339 E340	P336-K339 WeakPolarHBondContact O-CB 3.35Å; P336-K339 PolarHBondContact O-N 3.32Å; P336-E340 PolarHBondContact O-N 3.48Å
337	K	66.2	Low	72.7	Confident	151 Å²	151	83.4 Å²	83.4	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-65.5	-38.6	175.1	-65.6	-175.4	176.6	-177.6	0	112.7	L294 T335 K339 E340 L341	L294-K337 HydrophobicContact CD1-CB 3.33Å; L294-K337 HydrophobicContact CD1-CD 4.2Å; L294-K337 HydrophobicContact CD1-CG 4.42Å; T335-K337 VanDerWaalsContact C-N 3.27Å; T335-K337 PolarHBondContact O-N 3.34Å; K337-K339 VanDerWaalsContact C-N 3.29Å; K337-K339 PolarHBondContact O-N 2.86Å; K337-E340 PolarHBondContact O-N 2.68Å; K337-L341 PolarHBondContact O-N 2.92Å
338	V	68.3	Low	72.8	Confident	5 Å²	5	80.2 Å²	80.2	3%	0.03	40%	0.404	C	S	.	.	H	α-helix	trans	-63	-37.1	173.3	175.3	0	0	0	0	111	V292 L294 L329 T335 R342	V292-V338 HydrophobicContact CG1-CG2 4.23Å; L294-V338 HydrophobicContact CD1-CG2 4.03Å; L294-V338 HydrophobicContact CD2-CG2 4.26Å; L329-V338 HydrophobicContact CD1-CG1 4.33Å; L329-V338 HydrophobicContact CD2-CG1 3.8Å; T335-V338 WeakPolarHBondContact O-CB 3.09Å; T335-V338 PolarHBondContact O-N 2.91Å; T335-V338 VanDerWaalsContact O-N 3.1Å; T335-V338 VanDerWaalsContact OG1-CG2 3.28Å; T335-V338 WeakPolarHBondContact OG1-CG2 3.42Å; V338-R342 VanDerWaalsContact O-CB 3.3Å; V338-R342 WeakPolarHBondContact O-CB 3.42Å; V338-R342 PolarHBondContact O-N 2.96Å
339	K	73.4	Confident	73.2	Confident	136 Å²	136	78 Å²	78	59%	0.591	40%	0.399	S	S	*	.	H	α-helix	trans	-68.2	-38.8	175.5	-66.5	178.8	-178.9	173.9	0	112.6	A334 T335 P336 K337 R342 A343	A334-K339 WeakPolarHBondContact O-CE 3.44Å; T335-K339 PolarHBondContact O-N 3.41Å; P336-K339 WeakPolarHBondContact O-CB 3.35Å; P336-K339 PolarHBondContact O-N 3.32Å; K337-K339 VanDerWaalsContact C-N 3.29Å; K337-K339 PolarHBondContact O-N 2.86Å; K339-R342 PolarHBondContact O-N 3.04Å; K339-A343 WeakPolarHBondContact O-CB 3.24Å; K339-A343 PolarHBondContact O-N 3.35Å
340	E	76.9	Confident	73.8	Confident	110 Å²	110	83 Å²	83	51%	0.514	42%	0.417	S	S	.	.	H	α-helix	trans	-66.9	-43.5	175.3	-164.9	-165.5	144.9	0	0	111.8	P336 K337 A343 K344	P336-E340 PolarHBondContact O-N 3.48Å; K337-E340 PolarHBondContact O-N 2.68Å; E340-A343 PolarHBondContact O-N 3.32Å; E340-K344 PolarHBondContact O-N 3.35Å; E340-K344 WeakPolarHBondContact OE1-CE 3.18Å; E340-K344 IonicContact OE1-NZ 2.73Å; E340-K344 PolarHBondContact OE1-NZ 3.27Å
341	L	74.3	Confident	74.5	Confident	26 Å²	26	78 Å²	78	14%	0.136	40%	0.397	C	S	.	.	H	α-helix	trans	-59.3	-48.3	173.6	-169.6	96.2	0	0	0	110.8	I299 L325 K337 A343 K344 V345	I299-L341 HydrophobicContact CG2-CD1 3.72Å; I299-L341 HydrophobicContact CG2-CD2 3.62Å; I299-L341 HydrophobicContact CG2-CG 4.33Å; L325-L341 HydrophobicContact CD1-CD2 3.85Å; L325-L341 HydrophobicContact CD2-CD2 4.45Å; K337-L341 PolarHBondContact O-N 2.92Å; L341-A343 VanDerWaalsContact C-N 3.32Å; L341-A343 PolarHBondContact O-N 3.48Å; L341-K344 PolarHBondContact O-N 3.49Å; L341-K344 VanDerWaalsContact O-N 3.15Å; L341-V345 WeakPolarHBondContact O-CG2 3.5Å; L341-V345 PolarHBondContact O-N 2.93Å
342	R	77.5	Confident	75.5	Confident	110 Å²	110	70.9 Å²	70.9	42%	0.415	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-42.5	177.2	-171.3	173.4	-66	-168.9	-0.4	111.5	V338 K339 K344 V345 D346	V338-R342 VanDerWaalsContact O-CB 3.3Å; V338-R342 WeakPolarHBondContact O-CB 3.42Å; V338-R342 PolarHBondContact O-N 2.96Å; K339-R342 PolarHBondContact O-N 3.04Å; R342-K344 PolarHBondContact O-N 2.8Å; R342-V345 PolarHBondContact O-N 3.27Å; R342-D346 VanDerWaalsContact O-CB 3.31Å; R342-D346 WeakPolarHBondContact O-CB 3.42Å; R342-D346 PolarHBondContact O-N 3.38Å
343	A	80.8	Confident	76.4	Confident	60 Å²	60	68.5 Å²	68.5	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-38.1	176.1	0	0	0	0	0	113.4	K339 E340 L341 E347	K339-A343 WeakPolarHBondContact O-CB 3.24Å; K339-A343 PolarHBondContact O-N 3.35Å; E340-A343 PolarHBondContact O-N 3.32Å; L341-A343 VanDerWaalsContact C-N 3.32Å; L341-A343 PolarHBondContact O-N 3.48Å; A343-E347 PolarHBondContact O-N 3.02Å
344	K	79.6	Confident	77.5	Confident	110 Å²	110	70.8 Å²	70.8	48%	0.478	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-42.9	174	-70.6	173.5	-172.6	167.7	0	111.5	E340 L341 R342 R348	E340-K344 PolarHBondContact O-N 3.35Å; E340-K344 WeakPolarHBondContact OE1-CE 3.18Å; E340-K344 IonicContact OE1-NZ 2.73Å; E340-K344 PolarHBondContact OE1-NZ 3.27Å; L341-K344 PolarHBondContact O-N 3.49Å; L341-K344 VanDerWaalsContact O-N 3.15Å; R342-K344 PolarHBondContact O-N 2.8Å; K344-R348 PolarHBondContact O-N 3.13Å
345	V	81.8	Confident	78.6	Confident	6 Å²	6	69.6 Å²	69.6	4%	0.036	34%	0.339	C	S	.	.	H	α-helix	trans	-67.4	-42.8	177.5	172.7	0	0	0	0	111.3	L302 L306 L322 L325 L341 R342 E347 R348 V349	L302-V345 HydrophobicContact CD2-CG2 4.42Å; L306-V345 HydrophobicContact CD1-CG1 4.45Å; L322-V345 HydrophobicContact CD2-CG1 3.36Å; L325-V345 HydrophobicContact CD2-CB 4.28Å; L325-V345 HydrophobicContact CD2-CG1 3.92Å; L325-V345 HydrophobicContact CD2-CG2 3.81Å; L341-V345 WeakPolarHBondContact O-CG2 3.5Å; L341-V345 PolarHBondContact O-N 2.93Å; R342-V345 PolarHBondContact O-N 3.27Å; V345-E347 VanDerWaalsContact C-N 3.3Å; V345-E347 PolarHBondContact O-N 3.03Å; V345-R348 CarbonylContact O-C 3.6Å; V345-R348 WeakPolarHBondContact O-CA 3.46Å; V345-R348 PolarHBondContact O-N 3.01Å; V345-V349 HydrophobicContact CG1-CG2 4.18Å; V345-V349 WeakPolarHBondContact O-CG2 3.46Å; V345-V349 PolarHBondContact O-N 3.01Å
346	D	82.8	Confident	79.1	Confident	90 Å²	90	67.3 Å²	67.3	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-38.3	178.6	-74.2	-23.6	0	0	0	111.9	R342 R348 V349 R350	R342-D346 VanDerWaalsContact O-CB 3.31Å; R342-D346 WeakPolarHBondContact O-CB 3.42Å; R342-D346 PolarHBondContact O-N 3.38Å; D346-R348 VanDerWaalsContact C-N 3.34Å; D346-V349 PolarHBondContact O-N 2.8Å; D346-R350 WeakPolarHBondContact O-CB 3.49Å; D346-R350 PolarHBondContact O-N 3.46Å
347	E	84.4	Confident	79.7	Confident	72 Å²	72	63.8 Å²	63.8	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-66.6	-33.8	173.5	178.3	54.1	-154.1	0	0	112	A343 V345 R350 Q351	A343-E347 PolarHBondContact O-N 3.02Å; V345-E347 VanDerWaalsContact C-N 3.3Å; V345-E347 PolarHBondContact O-N 3.03Å; E347-R350 WeakPolarHBondContact O-CB 3.4Å; E347-R350 PolarHBondContact O-N 3.1Å; E347-R350 IonicContact OE1-CZ 2.73Å; E347-R350 IonicContact OE1-NE 2.87Å; E347-R350 PolarHBondContact OE1-NE 3Å; E347-R350 IonicContact OE1-NH2 2.72Å; E347-R350 PolarHBondContact OE1-NH2 3.5Å; E347-R350 IonicContact OE2-CZ 3.67Å; E347-R350 IonicContact OE2-NE 3.68Å; E347-R350 PolarHBondContact OE2-NE 3.5Å; E347-R350 IonicContact OE2-NH2 3.44Å; E347-R350 PolarHBondContact OE2-NH2 3.3Å; E347-Q351 WeakPolarHBondContact O-CG 3.44Å; E347-Q351 PolarHBondContact O-N 2.92Å; E347-Q351 PolarHBondContact OE1-NE2 2.88Å; E347-Q351 VanDerWaalsContact OE1-NE2 3.12Å
348	R	80.6	Confident	80.4	Confident	69 Å²	69	61.7 Å²	61.7	26%	0.26	29%	0.293	S	S	.	.	H	α-helix	trans	-76.6	-33.1	173.6	-56.3	-42.2	-176.3	125	30.8	112.8	D307 K344 V345 D346 R350 Q351 L352	D307-R348 VanDerWaalsContact CG-CZ 3.42Å; D307-R348 IonicContact OD1-CZ 2.7Å; D307-R348 IonicContact OD1-NE 3.93Å; D307-R348 IonicContact OD1-NH1 2.71Å; D307-R348 PolarHBondContact OD1-NH1 2.92Å; D307-R348 IonicContact OD1-NH2 3.18Å; D307-R348 PolarHBondContact OD1-NH2 3.05Å; D307-R348 IonicContact OD2-CZ 2.63Å; D307-R348 IonicContact OD2-NH1 3.2Å; D307-R348 PolarHBondContact OD2-NH1 3.48Å; D307-R348 IonicContact OD2-NH2 3.5Å; D307-R348 PolarHBondContact OD2-NH2 3.31Å; K344-R348 PolarHBondContact O-N 3.13Å; V345-R348 CarbonylContact O-C 3.6Å; V345-R348 WeakPolarHBondContact O-CA 3.46Å; V345-R348 PolarHBondContact O-N 3.01Å; D346-R348 VanDerWaalsContact C-N 3.34Å; R348-R350 VanDerWaalsContact C-N 3.26Å; R348-R350 PolarHBondContact O-N 3.37Å; R348-Q351 VanDerWaalsContact CD-OE1 3.23Å; R348-Q351 PolarHBondContact O-N 3.34Å; R348-L352 VanDerWaalsContact O-CB 3.28Å; R348-L352 WeakPolarHBondContact O-CB 3.25Å; R348-L352 PolarHBondContact O-N 3.07Å
349	V	83.3	Confident	80.7	Confident	32 Å²	32	63 Å²	63	19%	0.194	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-38.9	167.2	171.9	0	0	0	0	110.3	L322 V345 D346 T353 L383	L322-V349 HydrophobicContact CD1-CG2 3.77Å; L322-V349 HydrophobicContact CD2-CG2 3.63Å; L322-V349 HydrophobicContact CG-CG2 4.36Å; V345-V349 HydrophobicContact CG1-CG2 4.18Å; V345-V349 WeakPolarHBondContact O-CG2 3.46Å; V345-V349 PolarHBondContact O-N 3.01Å; D346-V349 PolarHBondContact O-N 2.8Å; V349-T353 VanDerWaalsContact O-CB 3.24Å; V349-T353 WeakPolarHBondContact O-CB 3.44Å; V349-T353 PolarHBondContact O-N 3.03Å; V349-T353 PolarHBondContact O-OG1 3.44Å; V349-L383 HydrophobicContact CG1-CD2 4.27Å
350	R	84.9	Confident	80.7	Confident	116 Å²	116	56.5 Å²	56.5	44%	0.438	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-46.6	174	-159.6	-177.7	71.9	70.4	11.1	111.4	D346 E347 R348 T353 E354	D346-R350 WeakPolarHBondContact O-CB 3.49Å; D346-R350 PolarHBondContact O-N 3.46Å; E347-R350 WeakPolarHBondContact O-CB 3.4Å; E347-R350 PolarHBondContact O-N 3.1Å; E347-R350 IonicContact OE1-CZ 2.73Å; E347-R350 IonicContact OE1-NE 2.87Å; E347-R350 PolarHBondContact OE1-NE 3Å; E347-R350 IonicContact OE1-NH2 2.72Å; E347-R350 PolarHBondContact OE1-NH2 3.5Å; E347-R350 IonicContact OE2-CZ 3.67Å; E347-R350 IonicContact OE2-NE 3.68Å; E347-R350 PolarHBondContact OE2-NE 3.5Å; E347-R350 IonicContact OE2-NH2 3.44Å; E347-R350 PolarHBondContact OE2-NH2 3.3Å; R348-R350 VanDerWaalsContact C-N 3.26Å; R348-R350 PolarHBondContact O-N 3.37Å; R350-T353 PolarHBondContact O-N 3.49Å; R350-E354 IonicContact CZ-OE1 3.69Å; R350-E354 IonicContact NH1-OE1 2.65Å; R350-E354 PolarHBondContact NH1-OE1 3.09Å; R350-E354 IonicContact NH1-OE2 2.65Å; R350-E354 WeakPolarHBondContact O-CG 3.31Å; R350-E354 PolarHBondContact O-N 3.35Å
351	Q	84.6	Confident	80.6	Confident	58 Å²	58	53 Å²	53	27%	0.271	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-48.1	176.1	-69.9	168.9	18.2	0	0	112.3	E347 R348 T353 E354 V355	E347-Q351 WeakPolarHBondContact O-CG 3.44Å; E347-Q351 PolarHBondContact O-N 2.92Å; E347-Q351 PolarHBondContact OE1-NE2 2.88Å; E347-Q351 VanDerWaalsContact OE1-NE2 3.12Å; R348-Q351 VanDerWaalsContact CD-OE1 3.23Å; R348-Q351 PolarHBondContact O-N 3.34Å; Q351-T353 VanDerWaalsContact C-N 3.3Å; Q351-T353 PolarHBondContact O-N 3.07Å; Q351-E354 PolarHBondContact O-N 3.46Å; Q351-E354 VanDerWaalsContact O-N 3.12Å; Q351-V355 WeakPolarHBondContact O-CG2 3.39Å; Q351-V355 PolarHBondContact O-N 2.84Å
352	L	83.5	Confident	79.9	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-43.9	173.5	174.5	60.4	0	0	0	111.3	I310 F315 A318 V319 L322 R348 V355 L356 L383	I310-L352 HydrophobicContact CD1-CB 4Å; I310-L352 HydrophobicContact CG1-CB 4.17Å; I310-L352 HydrophobicContact CG1-CD1 4.05Å; F315-L352 HydrophobicContact CD1-CD1 3.56Å; F315-L352 HydrophobicContact CE1-CD1 4.2Å; F315-L352 HydrophobicContact CG-CD1 4.44Å; A318-L352 HydrophobicContact CB-CD1 4.43Å; A318-L352 HydrophobicContact CB-CD2 4.07Å; V319-L352 HydrophobicContact CG2-CD2 4.2Å; L322-L352 HydrophobicContact CD1-CD2 3.94Å; R348-L352 VanDerWaalsContact O-CB 3.28Å; R348-L352 WeakPolarHBondContact O-CB 3.25Å; R348-L352 PolarHBondContact O-N 3.07Å; L352-V355 PolarHBondContact O-N 2.84Å; L352-L356 HydrophobicContact CD1-CD1 3.94Å; L352-L356 HydrophobicContact CD1-CG 4.16Å; L352-L356 HydrophobicContact CG-CD1 3.94Å; L352-L356 WeakPolarHBondContact O-CB 3.3Å; L352-L356 VanDerWaalsContact O-CG 3.31Å; L352-L356 WeakPolarHBondContact O-CG 3.46Å; L352-L356 PolarHBondContact O-N 3.33Å; L352-L383 HydrophobicContact CD2-CD1 3.88Å; L352-L383 HydrophobicContact CD2-CD2 4.28Å; L352-L383 HydrophobicContact CG-CD1 4.1Å
353	T	82.9	Confident	78.9	Confident	10 Å²	10	56.6 Å²	56.6	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-42.8	175.6	-60.9	0	0	0	0	111.4	V349 R350 Q351 L356 V357 L380 Q385 K388	V349-T353 VanDerWaalsContact O-CB 3.24Å; V349-T353 WeakPolarHBondContact O-CB 3.44Å; V349-T353 PolarHBondContact O-N 3.03Å; V349-T353 PolarHBondContact O-OG1 3.44Å; R350-T353 PolarHBondContact O-N 3.49Å; Q351-T353 VanDerWaalsContact C-N 3.3Å; Q351-T353 PolarHBondContact O-N 3.07Å; T353-L356 PolarHBondContact O-N 3.5Å; T353-V357 HydrophobicContact CG2-CG2 4.21Å; T353-V357 VanDerWaalsContact O-CB 3.3Å; T353-V357 WeakPolarHBondContact O-CB 3.35Å; T353-V357 WeakPolarHBondContact O-CG2 3.31Å; T353-V357 PolarHBondContact O-N 3.04Å; T353-L380 HydrophobicContact CG2-CD2 4.05Å; T353-Q385 HydrophobicContact CG2-CG 4.4Å; T353-K388 HydrophobicContact CG2-CD 4.45Å
354	E	84.1	Confident	77.7	Confident	103 Å²	103	62.6 Å²	62.6	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.9	-76.1	-180	178.9	0	0	112.4	R350 Q351 V357 F358	R350-E354 IonicContact CZ-OE1 3.69Å; R350-E354 IonicContact NH1-OE1 2.65Å; R350-E354 PolarHBondContact NH1-OE1 3.09Å; R350-E354 IonicContact NH1-OE2 2.65Å; R350-E354 WeakPolarHBondContact O-CG 3.31Å; R350-E354 PolarHBondContact O-N 3.35Å; Q351-E354 PolarHBondContact O-N 3.46Å; Q351-E354 VanDerWaalsContact O-N 3.12Å; E354-V357 PolarHBondContact O-N 3.27Å; E354-F358 WeakPolarHBondContact O-CB 3.4Å; E354-F358 PolarHBondContact O-N 3.16Å
355	V	83.2	Confident	76.2	Confident	46 Å²	46	59.1 Å²	59.1	28%	0.279	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-44.5	176.2	174.8	0	0	0	0	111.5	I310 F315 Q351 L352 V357 F358 E359	I310-V355 HydrophobicContact CG2-CG2 4.23Å; F315-V355 HydrophobicContact CE1-CG1 3.74Å; F315-V355 HydrophobicContact CZ-CG1 3.79Å; Q351-V355 WeakPolarHBondContact O-CG2 3.39Å; Q351-V355 PolarHBondContact O-N 2.84Å; L352-V355 PolarHBondContact O-N 2.84Å; V355-V357 PolarHBondContact O-N 3.24Å; V355-F358 WeakPolarHBondContact O-CB 3.29Å; V355-F358 PolarHBondContact O-N 3.26Å; V355-E359 PolarHBondContact O-N 2.76Å
356	L	79.8	Confident	74.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-41.8	175.5	-76.1	168.8	0	0	0	112	F315 L352 T353 F358 E359 L360 A376 Q379 L380 L383	F315-L356 HydrophobicContact CB-CD2 3.98Å; F315-L356 HydrophobicContact CD1-CD2 4.03Å; F315-L356 HydrophobicContact CD1-CG 4.36Å; F315-L356 HydrophobicContact CD2-CD2 3.6Å; F315-L356 HydrophobicContact CE1-CD2 4.41Å; F315-L356 HydrophobicContact CE2-CD2 4.03Å; F315-L356 HydrophobicContact CG-CD2 3.6Å; F315-L356 HydrophobicContact CG-CG 4.38Å; F315-L356 HydrophobicContact CZ-CD2 4.41Å; L352-L356 HydrophobicContact CD1-CD1 3.94Å; L352-L356 HydrophobicContact CD1-CG 4.16Å; L352-L356 HydrophobicContact CG-CD1 3.94Å; L352-L356 WeakPolarHBondContact O-CB 3.3Å; L352-L356 VanDerWaalsContact O-CG 3.31Å; L352-L356 WeakPolarHBondContact O-CG 3.46Å; L352-L356 PolarHBondContact O-N 3.33Å; T353-L356 PolarHBondContact O-N 3.5Å; L356-F358 VanDerWaalsContact C-N 3.31Å; L356-F358 PolarHBondContact O-N 2.88Å; L356-E359 PolarHBondContact O-N 3.18Å; L356-L360 WeakPolarHBondContact O-CB 3.17Å; L356-L360 PolarHBondContact O-N 3.43Å; L356-A376 HydrophobicContact CD2-CB 3.9Å; L356-Q379 HydrophobicContact CD1-CB 4.31Å; L356-L380 HydrophobicContact CB-CD1 4.3Å; L356-L380 HydrophobicContact CB-CD2 3.76Å; L356-L380 HydrophobicContact CB-CG 3.94Å; L356-L380 HydrophobicContact CD1-CD2 3.75Å; L356-L380 HydrophobicContact CD1-CG 4.01Å; L356-L380 HydrophobicContact CG-CD2 4.4Å; L356-L383 HydrophobicContact CD1-CD1 3.78Å
357	V	81.6	Confident	72.9	Confident	29 Å²	29	73.8 Å²	73.8	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-38.6	174.7	168.6	0	0	0	0	111.4	T353 E354 V355 S361 K388 L392	T353-V357 HydrophobicContact CG2-CG2 4.21Å; T353-V357 VanDerWaalsContact O-CB 3.3Å; T353-V357 WeakPolarHBondContact O-CB 3.35Å; T353-V357 WeakPolarHBondContact O-CG2 3.31Å; T353-V357 PolarHBondContact O-N 3.04Å; E354-V357 PolarHBondContact O-N 3.27Å; V355-V357 PolarHBondContact O-N 3.24Å; V357-S361 PolarHBondContact O-N 2.83Å; V357-S361 PolarHBondContact O-OG 3.42Å; V357-K388 HydrophobicContact CG2-CD 4.22Å; V357-L392 HydrophobicContact CB-CD1 4Å; V357-L392 HydrophobicContact CG1-CD1 3.77Å; V357-L392 HydrophobicContact CG1-CD2 4.4Å; V357-L392 HydrophobicContact CG2-CD1 3.6Å
358	F	79.8	Confident	71.4	Confident	106 Å²	106	71.8 Å²	71.8	47%	0.465	35%	0.347	S	S	.	.	H	α-helix	trans	-66.9	-45.3	176.6	-177.7	-95.2	0	0	0	112.1	E354 V355 L356 L360 S361 R364	E354-F358 WeakPolarHBondContact O-CB 3.4Å; E354-F358 PolarHBondContact O-N 3.16Å; V355-F358 WeakPolarHBondContact O-CB 3.29Å; V355-F358 PolarHBondContact O-N 3.26Å; L356-F358 VanDerWaalsContact C-N 3.31Å; L356-F358 PolarHBondContact O-N 2.88Å; F358-L360 VanDerWaalsContact C-N 3.29Å; F358-L360 PolarHBondContact O-N 2.83Å; F358-S361 WeakPolarHBondContact O-CB 3.27Å; F358-S361 PolarHBondContact O-N 3.35Å; F358-S361 VanDerWaalsContact O-N 3.15Å; F358-R364 HydrophobicContact CZ-CB 4.42Å
359	E	75.4	Confident	70.6	Confident	32 Å²	32	70.2 Å²	70.2	15%	0.15	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-31.4	177.6	-71.8	-64.9	124.1	0	0	113.4	R313 F315 V355 L356 S361 S365	R313-E359 IonicContact CZ-OE1 2.64Å; R313-E359 IonicContact CZ-OE2 3.48Å; R313-E359 IonicContact NH1-OE1 2.73Å; R313-E359 PolarHBondContact NH1-OE1 3.4Å; R313-E359 IonicContact NH1-OE2 2.73Å; R313-E359 PolarHBondContact NH1-OE2 3.49Å; R313-E359 IonicContact NH2-OE1 3.87Å; R313-E359 PolarHBondContact NH2-OE1 2.82Å; F315-E359 HydrophobicContact CE2-CG 4.4Å; F315-E359 HydrophobicContact CZ-CG 4.3Å; V355-E359 PolarHBondContact O-N 2.76Å; L356-E359 PolarHBondContact O-N 3.18Å; E359-S361 VanDerWaalsContact C-N 3.33Å; E359-S365 PolarHBondContact O-OG 2.91Å
360	L	74	Confident	69.7	Low	1 Å²	1	73.1 Å²	73.1	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-78.1	-13	175.3	-81.9	162.5	0	0	0	114.2	L356 F358 T373 A376 V377 L380 L392 N396	L356-L360 WeakPolarHBondContact O-CB 3.17Å; L356-L360 PolarHBondContact O-N 3.43Å; F358-L360 VanDerWaalsContact C-N 3.29Å; F358-L360 PolarHBondContact O-N 2.83Å; L360-T373 HydrophobicContact CD2-CG2 3.69Å; L360-A376 HydrophobicContact CD1-CB 3.82Å; L360-A376 HydrophobicContact CD2-CB 4.13Å; L360-A376 HydrophobicContact CG-CB 3.75Å; L360-V377 HydrophobicContact CD1-CG2 4.19Å; L360-V377 HydrophobicContact CD2-CG2 3.78Å; L360-L380 HydrophobicContact CD1-CD1 3.43Å; L360-L380 VanDerWaalsContact CD1-CD1 3.43Å; L360-L380 HydrophobicContact CD1-CG 4.49Å; L360-L392 HydrophobicContact CB-CB 4.39Å; L360-N396 PolarHBondContact O-ND2 3.4Å
361	S	73.1	Confident	68.9	Low	36 Å²	36	76 Å²	76	25%	0.252	39%	0.388	S	S	.	.			trans	-76.1	131.1	-176.4	-68.3	0	0	0	0	111.8	V357 F358 E359 D363	V357-S361 PolarHBondContact O-N 2.83Å; V357-S361 PolarHBondContact O-OG 3.42Å; F358-S361 WeakPolarHBondContact O-CB 3.27Å; F358-S361 PolarHBondContact O-N 3.35Å; F358-S361 VanDerWaalsContact O-N 3.15Å; E359-S361 VanDerWaalsContact C-N 3.33Å; S361-D363 VanDerWaalsContact C-N 3.31Å; S361-D363 PolarHBondContact O-N 2.85Å
362	P	60.9	Low	68.2	Low	60 Å²	60	75.4 Å²	75.4	39%	0.39	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.6	-167.9	25.5	-34.8	0	0	0	114.7	R364 A399	P362-R364 PolarHBondContact O-N 3.32Å; P362-A399 HydrophobicContact CB-CB 3.62Å; P362-A399 HydrophobicContact CG-CB 4.15Å
363	D	56.6	Low	67.8	Low	151 Å²	151	76 Å²	76	81%	0.807	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.3	-169.3	-63.7	-49	0	0	0	115.2	S361	S361-D363 VanDerWaalsContact C-N 3.31Å; S361-D363 PolarHBondContact O-N 2.85Å
364	R	55.5	Low	67.4	Low	186 Å²	186	79.8 Å²	79.8	70%	0.702	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.1	2.2	-169.4	-71.2	-167	174.6	-164.4	-2.8	117.6	F358 P362 L366	F358-R364 HydrophobicContact CZ-CB 4.42Å; P362-R364 PolarHBondContact O-N 3.32Å; R364-L366 VanDerWaalsContact C-N 3.33Å; R364-L366 PolarHBondContact O-N 3.47Å
365	S	48.4	Very low	67.2	Low	38 Å²	38	81.9 Å²	81.9	27%	0.266	41%	0.413	S	S	.	.			trans	-74.4	81.1	-176.3	-159.1	0	0	0	0	113	E359 R367 G368	E359-S365 PolarHBondContact O-OG 2.91Å; S365-R367 PolarHBondContact O-N 3.3Å; S365-G368 PolarHBondContact O-N 3.3Å; S365-G368 VanDerWaalsContact OG-CA 3.31Å; S365-G368 WeakPolarHBondContact OG-CA 3.4Å; S365-G368 PolarHBondContact OG-N 3.13Å
366	L	44.5	Very low	67	Low	179 Å²	179	79.9 Å²	79.9	94%	0.937	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-4.9	178.6	-77	159.3	0	0	0	114.5	R364	R364-L366 VanDerWaalsContact C-N 3.33Å; R364-L366 PolarHBondContact O-N 3.47Å
367	R	49.7	Very low	67.2	Low	224 Å²	224	79.9 Å²	79.9	85%	0.845	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	-0.9	-180	-78.8	-172.9	166.5	-155.5	-2.5	114.8	S365 G369	S365-R367 PolarHBondContact O-N 3.3Å; R367-G369 PolarHBondContact O-N 3.27Å
368	G	53.7	Low	67.3	Low	30 Å²	30	80.9 Å²	80.9	31%	0.309	41%	0.41	S	S	.	.			trans	-80	73.5	-170.1	0	0	0	0	0	115.3	S365	S365-G368 PolarHBondContact O-N 3.3Å; S365-G368 VanDerWaalsContact OG-CA 3.31Å; S365-G368 WeakPolarHBondContact OG-CA 3.4Å; S365-G368 PolarHBondContact OG-N 3.13Å
369	G	63.1	Low	67.5	Low	36 Å²	36	76.2 Å²	76.2	37%	0.371	39%	0.389	S	S	.	.			trans	-65.5	166.1	165.1	0	0	0	0	0	112.1	R367 K371 A372 T373	R367-G369 PolarHBondContact O-N 3.27Å; G369-K371 PolarHBondContact O-N 3.19Å; G369-A372 WeakPolarHBondContact O-CB 3.32Å; G369-A372 PolarHBondContact O-N 2.9Å; G369-T373 PolarHBondContact O-N 3.44Å
370	P	64.8	Low	68	Low	93 Å²	93	74.7 Å²	74.7	60%	0.604	38%	0.382	S	S	*	.	H	α-helix	trans	-52.3	-34.3	-175	-28.9	35.1	0	0	0	114.8	R374	P370-R374 PolarHBondContact O-N 3.28Å; P370-R374 VanDerWaalsContact O-N 3.07Å
371	K	67.6	Low	68.5	Low	178 Å²	178	76.2 Å²	76.2	77%	0.774	39%	0.39	S	S	*	.	H	α-helix	trans	-65	-36.9	175.3	-64.8	-174.5	177.6	-176.1	0	113.5	G369 R375	G369-K371 PolarHBondContact O-N 3.19Å; K371-R375 WeakPolarHBondContact O-CG 3.18Å; K371-R375 PolarHBondContact O-N 3.3Å; K371-R375 VanDerWaalsContact O-N 3.09Å
372	A	70.5	Confident	68.9	Low	45 Å²	45	78.8 Å²	78.8	37%	0.372	39%	0.394	S	S	.	.	H	α-helix	trans	-71.4	-42	178.6	0	0	0	0	0	111	G369 R374 R375 A376	G369-A372 WeakPolarHBondContact O-CB 3.32Å; G369-A372 PolarHBondContact O-N 2.9Å; A372-R374 PolarHBondContact O-N 3.02Å; A372-R375 PolarHBondContact O-N 2.89Å; A372-A376 PolarHBondContact O-N 3.08Å
373	T	73.9	Confident	69.9	Low	12 Å²	12	77.3 Å²	77.3	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-55.6	-48.8	171.9	-53.2	0	0	0	0	111	L360 G369 R375 A376 V377 F393	L360-T373 HydrophobicContact CD2-CG2 3.69Å; G369-T373 PolarHBondContact O-N 3.44Å; T373-R375 PolarHBondContact O-N 2.92Å; T373-A376 PolarHBondContact O-N 3.21Å; T373-V377 WeakPolarHBondContact O-CG2 3.2Å; T373-V377 PolarHBondContact O-N 2.92Å; T373-F393 HydrophobicContact CG2-CD2 4.4Å
374	R	75.8	Confident	71.1	Confident	90 Å²	90	72.8 Å²	72.8	34%	0.34	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-45	179.1	-162.4	-177.1	-57.3	178.7	2.6	112.7	P370 A372 A376 V377 S378 E435 D439	P370-R374 PolarHBondContact O-N 3.28Å; P370-R374 VanDerWaalsContact O-N 3.07Å; A372-R374 PolarHBondContact O-N 3.02Å; R374-A376 PolarHBondContact O-N 3.43Å; R374-V377 PolarHBondContact O-N 3.47Å; R374-S378 WeakPolarHBondContact O-CB 3.39Å; R374-S378 PolarHBondContact O-N 2.9Å; R374-E435 IonicContact CZ-OE2 3.47Å; R374-E435 VanDerWaalsContact CZ-OE2 3.3Å; R374-E435 IonicContact NE-OE2 2.73Å; R374-E435 PolarHBondContact NE-OE2 3.38Å; R374-E435 VanDerWaalsContact NE-OE2 3.1Å; R374-E435 IonicContact NH2-OE2 2.76Å; R374-E435 PolarHBondContact NH2-OE2 3.45Å; R374-D439 WeakPolarHBondContact CG-OD1 3.38Å; R374-D439 WeakPolarHBondContact CG-OD2 3.39Å
375	R	79.1	Confident	72.4	Confident	147 Å²	147	67.6 Å²	67.6	56%	0.555	36%	0.355	S	S	*	.	H	α-helix	trans	-57.1	-50.4	175.4	-77.6	-179.4	153.5	166.7	-2	111.8	E316 K371 A372 T373 V377 S378 Q379	E316-R375 VanDerWaalsContact OE1-CD 3.3Å; E316-R375 WeakPolarHBondContact OE1-CD 3.28Å; E316-R375 VanDerWaalsContact OE1-CG 3.31Å; E316-R375 WeakPolarHBondContact OE1-CG 3.43Å; E316-R375 IonicContact OE1-CZ 3.07Å; E316-R375 IonicContact OE1-NE 3.66Å; E316-R375 PolarHBondContact OE1-NE 2.98Å; E316-R375 IonicContact OE1-NH2 2.84Å; E316-R375 IonicContact OE2-CZ 3.49Å; E316-R375 IonicContact OE2-NE 3.14Å; E316-R375 IonicContact OE2-NH2 2.77Å; K371-R375 WeakPolarHBondContact O-CG 3.18Å; K371-R375 PolarHBondContact O-N 3.3Å; K371-R375 VanDerWaalsContact O-N 3.09Å; A372-R375 PolarHBondContact O-N 2.89Å; T373-R375 PolarHBondContact O-N 2.92Å; R375-V377 VanDerWaalsContact C-N 3.31Å; R375-V377 PolarHBondContact O-N 3.01Å; R375-S378 PolarHBondContact O-N 3.33Å; R375-Q379 WeakPolarHBondContact O-CG 3.32Å; R375-Q379 PolarHBondContact O-N 3.09Å
376	A	80.2	Confident	74.1	Confident	5 Å²	5	66.7 Å²	66.7	4%	0.041	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-37.5	179.9	0	0	0	0	0	112.8	L356 L360 A372 T373 R374 L380	L356-A376 HydrophobicContact CD2-CB 3.9Å; L360-A376 HydrophobicContact CD1-CB 3.82Å; L360-A376 HydrophobicContact CD2-CB 4.13Å; L360-A376 HydrophobicContact CG-CB 3.75Å; A372-A376 PolarHBondContact O-N 3.08Å; T373-A376 PolarHBondContact O-N 3.21Å; R374-A376 PolarHBondContact O-N 3.43Å; A376-L380 WeakPolarHBondContact O-CG 3.33Å; A376-L380 PolarHBondContact O-N 3.46Å; A376-L380 VanDerWaalsContact O-N 3.08Å
377	V	83.3	Confident	76	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-49.4	174	169.7	0	0	0	0	111.6	L360 T373 R374 R375 Q379 L380 I381 A389 F393 D439 F440	L360-V377 HydrophobicContact CD1-CG2 4.19Å; L360-V377 HydrophobicContact CD2-CG2 3.78Å; T373-V377 WeakPolarHBondContact O-CG2 3.2Å; T373-V377 PolarHBondContact O-N 2.92Å; R374-V377 PolarHBondContact O-N 3.47Å; R375-V377 VanDerWaalsContact C-N 3.31Å; R375-V377 PolarHBondContact O-N 3.01Å; V377-Q379 VanDerWaalsContact C-N 3.32Å; V377-Q379 PolarHBondContact O-N 3.4Å; V377-L380 PolarHBondContact O-N 2.94Å; V377-L380 VanDerWaalsContact O-N 3.14Å; V377-I381 HydrophobicContact CG1-CD1 3.74Å; V377-I381 HydrophobicContact CG1-CG1 4.38Å; V377-I381 WeakPolarHBondContact O-CG1 3.21Å; V377-I381 PolarHBondContact O-N 3.44Å; V377-A389 HydrophobicContact CG1-CB 4.49Å; V377-F393 HydrophobicContact CG2-CB 3.91Å; V377-F393 HydrophobicContact CG2-CD2 3.9Å; V377-F393 HydrophobicContact CG2-CG 4.3Å; V377-D439 HydrophobicContact CG1-CB 4.27Å; V377-F440 HydrophobicContact CG1-CE2 3.83Å; V377-F440 HydrophobicContact CG1-CZ 3.69Å
378	S	84.2	Confident	77.6	Confident	49 Å²	49	56 Å²	56	34%	0.343	31%	0.31	S	S	.	.	H	α-helix	trans	-57.2	-44.2	178.8	-178	0	0	0	0	112	R374 R375 I381 R382	R374-S378 WeakPolarHBondContact O-CB 3.39Å; R374-S378 PolarHBondContact O-N 2.9Å; R375-S378 PolarHBondContact O-N 3.33Å; S378-I381 PolarHBondContact O-N 2.84Å; S378-R382 PolarHBondContact O-N 3.13Å
379	Q	84.3	Confident	79.1	Confident	9 Å²	9	54.5 Å²	54.5	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-39.9	175.8	-60.3	-41.7	-33.7	0	0	112.8	F315 V319 L356 R375 V377 I381 R382 L383	F315-Q379 HydrophobicContact CB-CG 4.06Å; V319-Q379 HydrophobicContact CG2-CB 4.01Å; V319-Q379 HydrophobicContact CG2-CG 4.4Å; L356-Q379 HydrophobicContact CD1-CB 4.31Å; R375-Q379 WeakPolarHBondContact O-CG 3.32Å; R375-Q379 PolarHBondContact O-N 3.09Å; V377-Q379 VanDerWaalsContact C-N 3.32Å; V377-Q379 PolarHBondContact O-N 3.4Å; Q379-I381 VanDerWaalsContact C-N 3.29Å; Q379-I381 PolarHBondContact O-N 2.92Å; Q379-R382 PolarHBondContact O-N 2.98Å; Q379-L383 VanDerWaalsContact O-CG 3.29Å; Q379-L383 WeakPolarHBondContact O-CG 3.48Å; Q379-L383 PolarHBondContact O-N 3.47Å
380	L	84.1	Confident	80.3	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-31.5	173.4	-75.5	177.1	0	0	0	113.4	T353 L356 L360 A376 V377 L383 Q385 A389	T353-L380 HydrophobicContact CG2-CD2 4.05Å; L356-L380 HydrophobicContact CB-CD1 4.3Å; L356-L380 HydrophobicContact CB-CD2 3.76Å; L356-L380 HydrophobicContact CB-CG 3.94Å; L356-L380 HydrophobicContact CD1-CD2 3.75Å; L356-L380 HydrophobicContact CD1-CG 4.01Å; L356-L380 HydrophobicContact CG-CD2 4.4Å; L360-L380 HydrophobicContact CD1-CD1 3.43Å; L360-L380 VanDerWaalsContact CD1-CD1 3.43Å; L360-L380 HydrophobicContact CD1-CG 4.49Å; A376-L380 WeakPolarHBondContact O-CG 3.33Å; A376-L380 PolarHBondContact O-N 3.46Å; A376-L380 VanDerWaalsContact O-N 3.08Å; V377-L380 PolarHBondContact O-N 2.94Å; V377-L380 VanDerWaalsContact O-N 3.14Å; L380-L383 HydrophobicContact CD2-CD1 4.48Å; L380-Q385 WeakPolarHBondContact O-CA 3.29Å; L380-Q385 PolarHBondContact O-N 2.89Å; L380-A389 HydrophobicContact CB-CB 3.65Å; L380-A389 HydrophobicContact CD1-CB 4.14Å
381	I	84.5	Confident	81.3	Confident	33 Å²	33	53.5 Å²	53.5	17%	0.169	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-42.7	175.6	-67	169.2	0	0	0	110.4	V377 S378 Q379 L383 G384 A389 D439 F440	V377-I381 HydrophobicContact CG1-CD1 3.74Å; V377-I381 HydrophobicContact CG1-CG1 4.38Å; V377-I381 WeakPolarHBondContact O-CG1 3.21Å; V377-I381 PolarHBondContact O-N 3.44Å; S378-I381 PolarHBondContact O-N 2.84Å; Q379-I381 VanDerWaalsContact C-N 3.29Å; Q379-I381 PolarHBondContact O-N 2.92Å; I381-L383 VanDerWaalsContact C-N 3.33Å; I381-L383 PolarHBondContact O-N 3.1Å; I381-G384 PolarHBondContact O-N 2.89Å; I381-A389 HydrophobicContact CG1-CB 4.05Å; I381-D439 HydrophobicContact CD1-CB 4.26Å; I381-D439 VanDerWaalsContact CD1-O 3.24Å; I381-D439 WeakPolarHBondContact CD1-O 3.34Å; I381-F440 HydrophobicContact CD1-CD1 3.76Å; I381-F440 HydrophobicContact CD1-CD2 4.38Å; I381-F440 HydrophobicContact CD1-CE1 3.49Å; I381-F440 VanDerWaalsContact CD1-CE1 3.49Å; I381-F440 HydrophobicContact CD1-CE2 4.15Å; I381-F440 HydrophobicContact CD1-CG 4.2Å; I381-F440 HydrophobicContact CD1-CZ 3.71Å; I381-F440 HydrophobicContact CG1-CD1 4.39Å; I381-F440 HydrophobicContact CG1-CE1 3.89Å; I381-F440 HydrophobicContact CG1-CZ 4.34Å
382	R	82.5	Confident	82.1	Confident	90 Å²	90	45.9 Å²	45.9	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-39.7	173.4	-71.6	176.4	68.9	-172.3	16.2	112.4	V319 D320 D323 S378 Q379 G384	V319-R382 HydrophobicContact CG1-CB 3.63Å; V319-R382 HydrophobicContact CG1-CG 4.43Å; V319-R382 VanDerWaalsContact CG1-CZ 3.5Å; D320-R382 IonicContact OD1-CZ 3.9Å; D320-R382 IonicContact OD1-NH1 2.76Å; D320-R382 PolarHBondContact OD1-NH1 3.46Å; D320-R382 IonicContact OD1-NH2 2.69Å; D320-R382 PolarHBondContact OD1-NH2 3.06Å; D323-R382 IonicContact OD2-CZ 3.94Å; D323-R382 VanDerWaalsContact OD2-CZ 3.31Å; D323-R382 IonicContact OD2-NE 3.48Å; D323-R382 PolarHBondContact OD2-NE 3.13Å; D323-R382 IonicContact OD2-NH2 3.17Å; D323-R382 PolarHBondContact OD2-NH2 2.94Å; S378-R382 PolarHBondContact O-N 3.13Å; Q379-R382 PolarHBondContact O-N 2.98Å; R382-G384 PolarHBondContact O-N 3.26Å
383	L	82.3	Confident	82.9	Confident	29 Å²	29	43.8 Å²	43.8	15%	0.152	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	6.8	172.6	-66.8	172.2	0	0	0	114.5	V319 L322 V349 L352 L356 Q379 L380 I381 Q385	V319-L383 HydrophobicContact CG2-CD1 4.24Å; V319-L383 HydrophobicContact CG2-CD2 4.02Å; V319-L383 HydrophobicContact CG2-CG 3.97Å; L322-L383 HydrophobicContact CD1-CD2 3.58Å; V349-L383 HydrophobicContact CG1-CD2 4.27Å; L352-L383 HydrophobicContact CD2-CD1 3.88Å; L352-L383 HydrophobicContact CD2-CD2 4.28Å; L352-L383 HydrophobicContact CG-CD1 4.1Å; L356-L383 HydrophobicContact CD1-CD1 3.78Å; Q379-L383 VanDerWaalsContact O-CG 3.29Å; Q379-L383 WeakPolarHBondContact O-CG 3.48Å; Q379-L383 PolarHBondContact O-N 3.47Å; L380-L383 HydrophobicContact CD2-CD1 4.48Å; I381-L383 VanDerWaalsContact C-N 3.33Å; I381-L383 PolarHBondContact O-N 3.1Å; L383-Q385 PolarHBondContact O-N 3.26Å
384	G	80.4	Confident	83.6	Confident	55 Å²	55	43.7 Å²	43.7	57%	0.567	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	3.1	-180	0	0	0	0	0	114.9	I381 R382 S386	I381-G384 PolarHBondContact O-N 2.89Å; R382-G384 PolarHBondContact O-N 3.26Å; G384-S386 PolarHBondContact O-N 3.49Å
385	Q	83	Confident	84.2	Confident	77 Å²	77	44.3 Å²	44.3	36%	0.36	23%	0.227	S	C	.	.			trans	-89.8	38	-177.8	-64.1	-65.9	-48.6	0	0	112.1	T353 L380 L383 T387 K388 A389	T353-Q385 HydrophobicContact CG2-CG 4.4Å; L380-Q385 WeakPolarHBondContact O-CA 3.29Å; L380-Q385 PolarHBondContact O-N 2.89Å; L383-Q385 PolarHBondContact O-N 3.26Å; Q385-T387 VanDerWaalsContact C-N 3.35Å; Q385-T387 PolarHBondContact O-N 2.71Å; Q385-K388 HydrophobicContact CB-CB 4.47Å; Q385-K388 PolarHBondContact O-N 3.27Å; Q385-K388 VanDerWaalsContact O-N 3.15Å; Q385-A389 WeakPolarHBondContact O-CB 3.47Å; Q385-A389 PolarHBondContact O-N 2.67Å
386	S	84.4	Confident	84.5	Confident	19 Å²	19	38.5 Å²	38.5	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-37.8	-169.9	60.7	0	0	0	0	114.1	G384 A389 C390	G384-S386 PolarHBondContact O-N 3.49Å; S386-A389 PolarHBondContact O-N 2.74Å; S386-C390 VanDerWaalsContact O-CB 3.3Å; S386-C390 WeakPolarHBondContact O-CB 3.42Å; S386-C390 PolarHBondContact O-N 2.94Å
387	T	84.8	Confident	84.8	Confident	102 Å²	102	39.3 Å²	39.3	63%	0.626	21%	0.209	S	C	*	.	H	α-helix	trans	-64.2	-44.7	176.2	49	0	0	0	0	112.3	Q385 C390 E391	Q385-T387 VanDerWaalsContact C-N 3.35Å; Q385-T387 PolarHBondContact O-N 2.71Å; T387-C390 WeakPolarHBondContact O-CB 3.1Å; T387-C390 PolarHBondContact O-N 2.73Å; T387-E391 PolarHBondContact O-N 3.06Å
388	K	83.2	Confident	85	Confident	76 Å²	76	40.4 Å²	40.4	33%	0.33	22%	0.218	S	C	.	.	H	α-helix	trans	-69.3	-39	178	-165.5	-179.4	-174	-175.7	0	111.5	T353 V357 Q385 E391 L392	T353-K388 HydrophobicContact CG2-CD 4.45Å; V357-K388 HydrophobicContact CG2-CD 4.22Å; Q385-K388 HydrophobicContact CB-CB 4.47Å; Q385-K388 PolarHBondContact O-N 3.27Å; Q385-K388 VanDerWaalsContact O-N 3.15Å; K388-E391 PolarHBondContact O-N 2.62Å; K388-L392 HydrophobicContact CG-CD1 4.16Å; K388-L392 WeakPolarHBondContact O-CD1 3.39Å; K388-L392 WeakPolarHBondContact O-CG 3.4Å; K388-L392 PolarHBondContact O-N 3.47Å; K388-L392 VanDerWaalsContact O-N 3.12Å
389	A	85.9	Confident	85.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-46.8	172.7	0	0	0	0	0	111.4	V377 L380 I381 Q385 S386 L392 F393 F440	V377-A389 HydrophobicContact CG1-CB 4.49Å; L380-A389 HydrophobicContact CB-CB 3.65Å; L380-A389 HydrophobicContact CD1-CB 4.14Å; I381-A389 HydrophobicContact CG1-CB 4.05Å; Q385-A389 WeakPolarHBondContact O-CB 3.47Å; Q385-A389 PolarHBondContact O-N 2.67Å; S386-A389 PolarHBondContact O-N 2.74Å; A389-L392 PolarHBondContact O-N 2.97Å; A389-F393 VanDerWaalsContact O-CB 3.28Å; A389-F393 WeakPolarHBondContact O-CB 3.49Å; A389-F393 PolarHBondContact O-N 2.92Å; A389-F440 HydrophobicContact CB-CE1 4.42Å; A389-F440 HydrophobicContact CB-CZ 4.35Å
390	C	86.8	Confident	85.1	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-51.1	176.4	175.7	0	0	0	0	111.8	S386 T387 L392 F393 L394 F440 C446	S386-C390 VanDerWaalsContact O-CB 3.3Å; S386-C390 WeakPolarHBondContact O-CB 3.42Å; S386-C390 PolarHBondContact O-N 2.94Å; T387-C390 WeakPolarHBondContact O-CB 3.1Å; T387-C390 PolarHBondContact O-N 2.73Å; C390-L392 VanDerWaalsContact C-N 3.32Å; C390-L392 PolarHBondContact O-N 3.29Å; C390-F393 PolarHBondContact O-N 2.92Å; C390-L394 WeakPolarHBondContact O-CB 3.41Å; C390-L394 VanDerWaalsContact O-CG 3.24Å; C390-L394 WeakPolarHBondContact O-CG 3.37Å; C390-L394 PolarHBondContact O-N 2.88Å; C390-F440 HydrophobicContact CB-CD1 4.46Å; C390-F440 HydrophobicContact CB-CE1 3.7Å; C390-F440 HydrophobicContact CB-CZ 3.9Å; C390-C446 HydrophobicContact CB-CB 4.17Å
391	E	86.9	Confident	85.1	Confident	104 Å²	104	41.2 Å²	41.2	49%	0.486	23%	0.229	S	C	.	.	H	α-helix	trans	-59.1	-42.9	-179.7	-167.8	-170.1	171.1	0	0	112.2	T387 K388 K395	T387-E391 PolarHBondContact O-N 3.06Å; K388-E391 PolarHBondContact O-N 2.62Å; E391-K395 HydrophobicContact CG-CD 4.39Å; E391-K395 WeakPolarHBondContact O-CB 3.36Å; E391-K395 VanDerWaalsContact O-CG 3.31Å; E391-K395 WeakPolarHBondContact O-CG 3.47Å; E391-K395 PolarHBondContact O-N 3.28Å; E391-K395 WeakPolarHBondContact OE1-CE 3.33Å; E391-K395 IonicContact OE1-NZ 2.71Å; E391-K395 PolarHBondContact OE1-NZ 3.42Å
392	L	84.9	Confident	85.2	Confident	19 Å²	19	43.3 Å²	43.3	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-72.7	-40.1	-179.4	-69.8	166.3	0	0	0	112.7	V357 L360 K388 A389 C390 L394 K395 N396	V357-L392 HydrophobicContact CB-CD1 4Å; V357-L392 HydrophobicContact CG1-CD1 3.77Å; V357-L392 HydrophobicContact CG1-CD2 4.4Å; V357-L392 HydrophobicContact CG2-CD1 3.6Å; L360-L392 HydrophobicContact CB-CB 4.39Å; K388-L392 HydrophobicContact CG-CD1 4.16Å; K388-L392 WeakPolarHBondContact O-CD1 3.39Å; K388-L392 WeakPolarHBondContact O-CG 3.4Å; K388-L392 PolarHBondContact O-N 3.47Å; K388-L392 VanDerWaalsContact O-N 3.12Å; A389-L392 PolarHBondContact O-N 2.97Å; C390-L392 VanDerWaalsContact C-N 3.32Å; C390-L392 PolarHBondContact O-N 3.29Å; L392-L394 PolarHBondContact O-N 3Å; L392-K395 PolarHBondContact O-N 2.74Å; L392-N396 WeakPolarHBondContact O-CB 3.3Å; L392-N396 PolarHBondContact O-N 3.23Å
393	F	87	Confident	85.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-49.6	172.4	175.7	-103	0	0	0	111.1	T373 V377 A389 C390 K395 N396 R397 T432 E435 F436 F440	T373-F393 HydrophobicContact CG2-CD2 4.4Å; V377-F393 HydrophobicContact CG2-CB 3.91Å; V377-F393 HydrophobicContact CG2-CD2 3.9Å; V377-F393 HydrophobicContact CG2-CG 4.3Å; A389-F393 VanDerWaalsContact O-CB 3.28Å; A389-F393 WeakPolarHBondContact O-CB 3.49Å; A389-F393 PolarHBondContact O-N 2.92Å; C390-F393 PolarHBondContact O-N 2.92Å; F393-K395 PolarHBondContact O-N 3.5Å; F393-N396 PolarHBondContact O-N 3.34Å; F393-R397 HydrophobicContact CD1-CG 4.36Å; F393-R397 HydrophobicContact CD2-CG 4.37Å; F393-R397 HydrophobicContact CE1-CG 4.08Å; F393-R397 HydrophobicContact CE2-CG 4.12Å; F393-R397 HydrophobicContact CZ-CG 3.97Å; F393-R397 WeakPolarHBondContact O-CB 3.22Å; F393-R397 VanDerWaalsContact O-CG 3.25Å; F393-R397 WeakPolarHBondContact O-CG 3.45Å; F393-R397 PolarHBondContact O-N 2.83Å; F393-T432 HydrophobicContact CE1-CG2 3.83Å; F393-T432 HydrophobicContact CZ-CG2 4.06Å; F393-E435 HydrophobicContact CZ-CB 4.2Å; F393-F436 HydrophobicContact CD1-CD2 4.09Å; F393-F436 HydrophobicContact CE1-CB 4.28Å; F393-F436 AromaticContact CE1-CD2 3.98Å; F393-F436 HydrophobicContact CE1-CD2 3.98Å; F393-F440 HydrophobicContact CD1-CE2 4.46Å
394	L	88.8	Confident	85.4	Confident	10 Å²	10	42.3 Å²	42.3	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-37	-179.9	-64.6	174.8	0	0	0	112.1	C390 L392 R397 A398 F436 A449 F450 W453	C390-L394 WeakPolarHBondContact O-CB 3.41Å; C390-L394 VanDerWaalsContact O-CG 3.24Å; C390-L394 WeakPolarHBondContact O-CG 3.37Å; C390-L394 PolarHBondContact O-N 2.88Å; L392-L394 PolarHBondContact O-N 3Å; L394-R397 PolarHBondContact O-N 3.35Å; L394-A398 WeakPolarHBondContact O-CB 3.49Å; L394-A398 PolarHBondContact O-N 3.43Å; L394-F436 HydrophobicContact CD2-CD2 4.41Å; L394-A449 HydrophobicContact CD1-CB 4.09Å; L394-F450 HydrophobicContact CD2-CD2 3.95Å; L394-W453 HydrophobicContact CB-CB 4.29Å; L394-W453 HydrophobicContact CB-CG 3.96Å; L394-W453 HydrophobicContact CD1-CB 3.99Å; L394-W453 HydrophobicContact CD1-CG 4.46Å; L394-W453 HydrophobicContact CD2-CB 4.07Å; L394-W453 HydrophobicContact CD2-CD2 3.78Å; L394-W453 HydrophobicContact CD2-CE3 3.95Å; L394-W453 HydrophobicContact CD2-CG 3.81Å; L394-W453 HydrophobicContact CG-CB 4.33Å; L394-W453 HydrophobicContact CG-CG 4.27Å; L394-W453 PolarHBondContact O-NE1 3.13Å
395	K	86.9	Confident	85.6	Confident	103 Å²	103	40.8 Å²	40.8	45%	0.448	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-45.1	172.2	-78.3	175	-176	172	0	112.6	E391 L392 F393 A398 A399	E391-K395 HydrophobicContact CG-CD 4.39Å; E391-K395 WeakPolarHBondContact O-CB 3.36Å; E391-K395 VanDerWaalsContact O-CG 3.31Å; E391-K395 WeakPolarHBondContact O-CG 3.47Å; E391-K395 PolarHBondContact O-N 3.28Å; E391-K395 WeakPolarHBondContact OE1-CE 3.33Å; E391-K395 IonicContact OE1-NZ 2.71Å; E391-K395 PolarHBondContact OE1-NZ 3.42Å; L392-K395 PolarHBondContact O-N 2.74Å; F393-K395 PolarHBondContact O-N 3.5Å; K395-A398 PolarHBondContact O-N 3.04Å; K395-A399 PolarHBondContact O-N 3.22Å
396	N	86.2	Confident	85.6	Confident	25 Å²	25	45.8 Å²	45.8	13%	0.134	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-45.7	176.8	-171.3	-37.3	0	0	0	110.5	L360 L392 F393 A398 A399 A400	L360-N396 PolarHBondContact O-ND2 3.4Å; L392-N396 WeakPolarHBondContact O-CB 3.3Å; L392-N396 PolarHBondContact O-N 3.23Å; F393-N396 PolarHBondContact O-N 3.34Å; N396-A398 PolarHBondContact O-N 2.72Å; N396-A399 PolarHBondContact O-N 2.9Å; N396-A400 PolarHBondContact O-N 3.37Å
397	R	86.1	Confident	85.5	Confident	22 Å²	22	51.8 Å²	51.8	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-38.6	175.2	-67.7	-72.3	173.6	143.9	-8.5	113.3	F393 L394 A399 A400 V401 T432 E435 W453	F393-R397 HydrophobicContact CD1-CG 4.36Å; F393-R397 HydrophobicContact CD2-CG 4.37Å; F393-R397 HydrophobicContact CE1-CG 4.08Å; F393-R397 HydrophobicContact CE2-CG 4.12Å; F393-R397 HydrophobicContact CZ-CG 3.97Å; F393-R397 WeakPolarHBondContact O-CB 3.22Å; F393-R397 VanDerWaalsContact O-CG 3.25Å; F393-R397 WeakPolarHBondContact O-CG 3.45Å; F393-R397 PolarHBondContact O-N 2.83Å; L394-R397 PolarHBondContact O-N 3.35Å; R397-A399 PolarHBondContact O-N 3.03Å; R397-A400 PolarHBondContact O-N 3.48Å; R397-V401 WeakPolarHBondContact O-CB 3.42Å; R397-V401 WeakPolarHBondContact O-CG2 3.3Å; R397-V401 PolarHBondContact O-N 3.35Å; R397-T432 HydrophobicContact CB-CG2 4.03Å; R397-T432 WeakPolarHBondContact CD-OG1 3.39Å; R397-T432 HydrophobicContact CG-CG2 3.69Å; R397-T432 PolarHBondContact NH1-OG1 2.9Å; R397-E435 IonicContact CZ-OE1 3.02Å; R397-E435 IonicContact NH1-OE1 3.62Å; R397-E435 PolarHBondContact NH1-OE1 2.89Å; R397-E435 IonicContact NH2-OE1 2.68Å; R397-E435 PolarHBondContact NH2-OE1 2.99Å; R397-E435 IonicContact NH2-OE2 3.09Å; R397-E435 PolarHBondContact NH2-OE2 3.48Å; R397-W453 HydrophobicContact CB-CH2 4.43Å; R397-W453 HydrophobicContact CB-CZ2 3.77Å
398	A	87.3	Confident	85.3	Confident	24 Å²	24	48.2 Å²	48.2	20%	0.198	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-45.2	172.7	0	0	0	0	0	111.7	L394 K395 N396 Q402	L394-A398 WeakPolarHBondContact O-CB 3.49Å; L394-A398 PolarHBondContact O-N 3.43Å; K395-A398 PolarHBondContact O-N 3.04Å; N396-A398 PolarHBondContact O-N 2.72Å; A398-Q402 VanDerWaalsContact O-CB 3.27Å; A398-Q402 WeakPolarHBondContact O-CB 3.49Å; A398-Q402 PolarHBondContact O-N 3.44Å
399	A	86.1	Confident	84.9	Confident	26 Å²	26	53.3 Å²	53.3	22%	0.215	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-39.2	177.1	0	0	0	0	0	112.3	P362 K395 N396 R397 T403	P362-A399 HydrophobicContact CB-CB 3.62Å; P362-A399 HydrophobicContact CG-CB 4.15Å; K395-A399 PolarHBondContact O-N 3.22Å; N396-A399 PolarHBondContact O-N 2.9Å; R397-A399 PolarHBondContact O-N 3.03Å; A399-T403 VanDerWaalsContact O-CB 3.3Å; A399-T403 WeakPolarHBondContact O-CB 3.46Å; A399-T403 PolarHBondContact O-N 2.81Å; A399-T403 PolarHBondContact O-OG1 3.47Å
400	A	84.6	Confident	84.3	Confident	46 Å²	46	58.6 Å²	58.6	38%	0.38	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-50	175.4	0	0	0	0	0	112	N396 R397 Q402 T403 A404	N396-A400 PolarHBondContact O-N 3.37Å; R397-A400 PolarHBondContact O-N 3.48Å; A400-Q402 PolarHBondContact O-N 2.87Å; A400-T403 PolarHBondContact O-N 3.41Å; A400-A404 WeakPolarHBondContact O-CB 3.27Å; A400-A404 PolarHBondContact O-N 3.26Å
401	V	85.4	Confident	83.2	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-46.3	175.7	170.6	0	0	0	0	110.9	R397 T403 A404 I405 F425 S428	R397-V401 WeakPolarHBondContact O-CB 3.42Å; R397-V401 WeakPolarHBondContact O-CG2 3.3Å; R397-V401 PolarHBondContact O-N 3.35Å; V401-T403 VanDerWaalsContact C-N 3.29Å; V401-T403 PolarHBondContact O-N 2.94Å; V401-A404 PolarHBondContact O-N 2.94Å; V401-I405 HydrophobicContact CG1-CD1 3.83Å; V401-I405 WeakPolarHBondContact O-CG1 3.48Å; V401-I405 PolarHBondContact O-N 2.89Å; V401-F425 HydrophobicContact CG1-CD2 3.84Å; V401-F425 HydrophobicContact CG1-CE2 4.11Å; V401-S428 WeakPolarHBondContact CG2-OG 3.36Å
402	Q	85.3	Confident	82.4	Confident	77 Å²	77	61.7 Å²	61.7	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-37.9	178.1	-172.4	179.1	61.6	0	0	111.9	A398 A400 R406	A398-Q402 VanDerWaalsContact O-CB 3.27Å; A398-Q402 WeakPolarHBondContact O-CB 3.49Å; A398-Q402 PolarHBondContact O-N 3.44Å; A400-Q402 PolarHBondContact O-N 2.87Å; Q402-R406 WeakPolarHBondContact O-CB 3.19Å; Q402-R406 VanDerWaalsContact O-CG 3.27Å; Q402-R406 WeakPolarHBondContact O-CG 3.3Å; Q402-R406 PolarHBondContact O-N 3.49Å
403	T	85.3	Confident	82	Confident	66 Å²	66	63.7 Å²	63.7	41%	0.405	34%	0.34	S	S	.	.	H	α-helix	trans	-69.2	-42.8	177	-58.7	0	0	0	0	111.4	A399 A400 V401 I405 R406 Q407	A399-T403 VanDerWaalsContact O-CB 3.3Å; A399-T403 WeakPolarHBondContact O-CB 3.46Å; A399-T403 PolarHBondContact O-N 2.81Å; A399-T403 PolarHBondContact O-OG1 3.47Å; A400-T403 PolarHBondContact O-N 3.41Å; V401-T403 VanDerWaalsContact C-N 3.29Å; V401-T403 PolarHBondContact O-N 2.94Å; T403-I405 PolarHBondContact O-N 3.1Å; T403-R406 PolarHBondContact O-N 3.31Å; T403-Q407 HydrophobicContact CG2-CG 4.39Å; T403-Q407 WeakPolarHBondContact O-CB 3.34Å; T403-Q407 WeakPolarHBondContact O-CG 3.33Å; T403-Q407 PolarHBondContact O-N 3.33Å
404	A	84.3	Confident	81.8	Confident	32 Å²	32	64.7 Å²	64.7	26%	0.264	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-43.3	175.8	0	0	0	0	0	112.2	A400 V401 Q407 L408 I424	A400-A404 WeakPolarHBondContact O-CB 3.27Å; A400-A404 PolarHBondContact O-N 3.26Å; V401-A404 PolarHBondContact O-N 2.94Å; A404-Q407 PolarHBondContact O-N 2.89Å; A404-L408 PolarHBondContact O-N 3.49Å; A404-I424 HydrophobicContact CB-CG2 3.92Å
405	I	84	Confident	81.5	Confident	22 Å²	22	67 Å²	67	11%	0.113	36%	0.358	C	S	.	.	H	α-helix	trans	-62.8	-42.7	174.6	-67.6	169.2	0	0	0	111.1	V401 T403 Q407 L408 L421 F425 A464	V401-I405 HydrophobicContact CG1-CD1 3.83Å; V401-I405 WeakPolarHBondContact O-CG1 3.48Å; V401-I405 PolarHBondContact O-N 2.89Å; T403-I405 PolarHBondContact O-N 3.1Å; I405-Q407 PolarHBondContact O-N 2.71Å; I405-L408 WeakPolarHBondContact O-CB 3.27Å; I405-L408 PolarHBondContact O-N 3.38Å; I405-L421 HydrophobicContact CB-CD1 4.48Å; I405-L421 HydrophobicContact CG1-CD1 4.08Å; I405-L421 HydrophobicContact CG2-CD1 3.96Å; I405-F425 HydrophobicContact CD1-CD2 4.29Å; I405-A464 HydrophobicContact CG2-CB 4.07Å
406	R	83.4	Confident	81.4	Confident	182 Å²	182	66.9 Å²	66.9	69%	0.687	36%	0.362	S	S	*	.	H	α-helix	trans	-68.8	-29.6	178.2	-74.4	176.5	-173.7	-177.8	8.2	113.9	Q402 T403 L408	Q402-R406 WeakPolarHBondContact O-CB 3.19Å; Q402-R406 VanDerWaalsContact O-CG 3.27Å; Q402-R406 WeakPolarHBondContact O-CG 3.3Å; Q402-R406 PolarHBondContact O-N 3.49Å; T403-R406 PolarHBondContact O-N 3.31Å; R406-L408 VanDerWaalsContact C-N 3.3Å
407	Q	83.1	Confident	81.5	Confident	146 Å²	146	66.5 Å²	66.5	68%	0.682	36%	0.359	S	S	*	.	H	α-helix	trans	-77	-16.6	177.2	-74.6	177.9	0.4	0	0	112.9	T403 A404 I405 R409	T403-Q407 HydrophobicContact CG2-CG 4.39Å; T403-Q407 WeakPolarHBondContact O-CB 3.34Å; T403-Q407 WeakPolarHBondContact O-CG 3.33Å; T403-Q407 PolarHBondContact O-N 3.33Å; A404-Q407 PolarHBondContact O-N 2.89Å; I405-Q407 PolarHBondContact O-N 2.71Å; Q407-R409 PolarHBondContact O-N 2.96Å; Q407-R409 VanDerWaalsContact O-N 3.08Å
408	L	80.6	Confident	81.6	Confident	27 Å²	27	65.5 Å²	65.5	14%	0.141	36%	0.355	C	S	.	.			trans	-68.5	105.7	177.8	-174.4	65.4	0	0	0	110.8	A404 I405 R406 Y417 K420 L421 I424	A404-L408 PolarHBondContact O-N 3.49Å; I405-L408 WeakPolarHBondContact O-CB 3.27Å; I405-L408 PolarHBondContact O-N 3.38Å; R406-L408 VanDerWaalsContact C-N 3.3Å; L408-Y417 HydrophobicContact CB-CE2 4.34Å; L408-Y417 HydrophobicContact CD2-CD2 3.92Å; L408-Y417 HydrophobicContact CD2-CE1 4.41Å; L408-Y417 HydrophobicContact CD2-CE2 3.48Å; L408-Y417 VanDerWaalsContact CD2-CE2 3.48Å; L408-Y417 HydrophobicContact CG-CD2 4.02Å; L408-Y417 HydrophobicContact CG-CE2 3.55Å; L408-K420 HydrophobicContact CD1-CB 3.92Å; L408-K420 HydrophobicContact CD1-CD 4.27Å; L408-K420 HydrophobicContact CD2-CB 4.36Å; L408-L421 HydrophobicContact CD2-CB 3.74Å; L408-L421 HydrophobicContact CD2-CD1 3.96Å; L408-L421 HydrophobicContact CD2-CG 4.46Å; L408-I424 HydrophobicContact CD1-CD1 3.87Å
409	R	73.4	Confident	81.7	Confident	183 Å²	183	68 Å²	68	69%	0.691	36%	0.362	S	S	*	.			trans	-68.5	137.9	174.6	-65.7	-176	172.3	-173	-2.1	111.3	Q407 E411	Q407-R409 PolarHBondContact O-N 2.96Å; Q407-R409 VanDerWaalsContact O-N 3.08Å; R409-E411 VanDerWaalsContact C-N 3.35Å; R409-E411 HydrophobicContact CB-CG 3.88Å; R409-E411 WeakPolarHBondContact CD-OE1 3.19Å; R409-E411 IonicContact NH1-OE1 2.58Å; R409-E411 PolarHBondContact NH1-OE1 3.28Å; R409-E411 PolarHBondContact O-N 3.14Å
410	I	73.1	Confident	81.8	Confident	110 Å²	110	71.3 Å²	71.3	56%	0.564	37%	0.372	S	S	*	.			trans	-76.3	89.9	170.8	-56.7	163.6	0	0	0	107.6	Y417	I410-Y417 HydrophobicContact CB-CD2 4.34Å; I410-Y417 HydrophobicContact CB-CE2 4.35Å; I410-Y417 HydrophobicContact CG1-CD2 4.07Å; I410-Y417 HydrophobicContact CG1-CE2 3.63Å
411	E	64.8	Low	82	Confident	103 Å²	103	69.1 Å²	69.1	48%	0.481	35%	0.354	S	S	.	.			trans	-124.4	115	-178.9	-73.2	176.3	-175.2	0	0	110.5	R409	R409-E411 VanDerWaalsContact C-N 3.35Å; R409-E411 HydrophobicContact CB-CG 3.88Å; R409-E411 WeakPolarHBondContact CD-OE1 3.19Å; R409-E411 IonicContact NH1-OE1 2.58Å; R409-E411 PolarHBondContact NH1-OE1 3.28Å; R409-E411 PolarHBondContact O-N 3.14Å
412	G	69.6	Low	82.3	Confident	69 Å²	69	69 Å²	69	71%	0.711	35%	0.353	S	S	*	.	S	Bend	trans	96.8	-158.2	176.7	0	0	0	0	0	114.3
413	A	77.6	Confident	82.6	Confident	62 Å²	62	69.5 Å²	69.5	51%	0.512	36%	0.358	S	S	.	.			trans	-71.4	144.5	177.5	0	0	0	0	0	111.6	L415 L416 Y417	A413-L415 VanDerWaalsContact C-N 3.28Å; A413-L415 PolarHBondContact O-N 3.25Å; A413-L415 VanDerWaalsContact O-N 3.15Å; A413-L416 WeakPolarHBondContact O-CB 3.23Å; A413-L416 PolarHBondContact O-N 2.64Å; A413-Y417 PolarHBondContact O-N 2.84Å
414	T	81.2	Confident	82.8	Confident	21 Å²	21	69.3 Å²	69.3	13%	0.129	35%	0.354	C	S	.	.	H	α-helix	trans	-52.1	-41.4	-175.6	-63.2	0	0	0	0	113.8	L416 Y417 I418 Q468 V469 E474	T414-L416 VanDerWaalsContact C-N 3.28Å; T414-L416 PolarHBondContact O-N 3.37Å; T414-Y417 CarbonylContact O-C 3.57Å; T414-Y417 WeakPolarHBondContact O-CA 3.2Å; T414-Y417 WeakPolarHBondContact O-CB 3.39Å; T414-Y417 PolarHBondContact O-N 3.2Å; T414-I418 HydrophobicContact CG2-CG1 3.97Å; T414-I418 WeakPolarHBondContact O-CG1 3.27Å; T414-I418 PolarHBondContact O-N 3.44Å; T414-Q468 HydrophobicContact CG2-CG 3.98Å; T414-Q468 PolarHBondContact OG1-NE2 2.81Å; T414-V469 HydrophobicContact CG2-CG2 4.42Å; T414-E474 WeakPolarHBondContact CB-OE1 3.46Å; T414-E474 VanDerWaalsContact CB-OE2 3.23Å; T414-E474 WeakPolarHBondContact CB-OE2 3.48Å; T414-E474 VanDerWaalsContact CG2-OE1 3.3Å; T414-E474 WeakPolarHBondContact CG2-OE1 3.43Å; T414-E474 WeakPolarHBondContact CG2-OE2 3.44Å; T414-E474 VanDerWaalsContact OG1-CD 3.28Å; T414-E474 PolarHBondContact OG1-OE1 3.2Å; T414-E474 PolarHBondContact OG1-OE2 2.98Å
415	L	84	Confident	83.1	Confident	59 Å²	59	67.9 Å²	67.9	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-59.1	-36.6	178	-173.6	132.4	0	0	0	112.8	A413 I418 H419 E481	A413-L415 VanDerWaalsContact C-N 3.28Å; A413-L415 PolarHBondContact O-N 3.25Å; A413-L415 VanDerWaalsContact O-N 3.15Å; L415-I418 PolarHBondContact O-N 2.94Å; L415-H419 PolarHBondContact O-CD2 3.42Å; L415-H419 VanDerWaalsContact O-CD2 3.24Å; L415-H419 PolarHBondContact O-N 3.46Å; L415-E481 HydrophobicContact CD1-CB 3.8Å
416	L	85.2	Confident	83.4	Confident	99 Å²	99	67.1 Å²	67.1	52%	0.518	34%	0.338	S	S	.	.	H	α-helix	trans	-70.2	-36.7	175.3	-63.9	173.1	0	0	0	112.1	A413 T414 K420	A413-L416 WeakPolarHBondContact O-CB 3.23Å; A413-L416 PolarHBondContact O-N 2.64Å; T414-L416 VanDerWaalsContact C-N 3.28Å; T414-L416 PolarHBondContact O-N 3.37Å; L416-K420 WeakPolarHBondContact O-CG 3.27Å; L416-K420 PolarHBondContact O-N 2.83Å
417	Y	87.1	Confident	83.7	Confident	18 Å²	18	61 Å²	61	7%	0.071	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-44.8	172.9	173.6	-89.6	0	0	0	111	L408 I410 A413 T414 K420 L421 Q468	L408-Y417 HydrophobicContact CB-CE2 4.34Å; L408-Y417 HydrophobicContact CD2-CD2 3.92Å; L408-Y417 HydrophobicContact CD2-CE1 4.41Å; L408-Y417 HydrophobicContact CD2-CE2 3.48Å; L408-Y417 VanDerWaalsContact CD2-CE2 3.48Å; L408-Y417 HydrophobicContact CG-CD2 4.02Å; L408-Y417 HydrophobicContact CG-CE2 3.55Å; I410-Y417 HydrophobicContact CB-CD2 4.34Å; I410-Y417 HydrophobicContact CB-CE2 4.35Å; I410-Y417 HydrophobicContact CG1-CD2 4.07Å; I410-Y417 HydrophobicContact CG1-CE2 3.63Å; A413-Y417 PolarHBondContact O-N 2.84Å; T414-Y417 CarbonylContact O-C 3.57Å; T414-Y417 WeakPolarHBondContact O-CA 3.2Å; T414-Y417 WeakPolarHBondContact O-CB 3.39Å; T414-Y417 PolarHBondContact O-N 3.2Å; Y417-K420 WeakPolarHBondContact O-CB 3.09Å; Y417-K420 PolarHBondContact O-N 3.38Å; Y417-K420 VanDerWaalsContact O-N 3.17Å; Y417-L421 HydrophobicContact CE1-CB 4.39Å; Y417-L421 HydrophobicContact CE1-CD2 4.11Å; Y417-L421 WeakPolarHBondContact O-CB 3.26Å; Y417-L421 PolarHBondContact O-N 2.89Å; Y417-Q468 HydrophobicContact CD1-CB 4.49Å; Y417-Q468 HydrophobicContact CD1-CG 3.67Å; Y417-Q468 HydrophobicContact CE1-CB 4.17Å; Y417-Q468 HydrophobicContact CE1-CG 3.76Å
418	I	88.4	Confident	84	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-40.8	178.9	-67.5	-58.2	0	0	0	111.9	T414 L415 K420 L421 C422 F465 Q468 V469 C482	T414-I418 HydrophobicContact CG2-CG1 3.97Å; T414-I418 WeakPolarHBondContact O-CG1 3.27Å; T414-I418 PolarHBondContact O-N 3.44Å; L415-I418 PolarHBondContact O-N 2.94Å; I418-K420 VanDerWaalsContact C-N 3.33Å; I418-K420 PolarHBondContact O-N 3.02Å; I418-L421 HydrophobicContact CD1-CD2 4.11Å; I418-L421 PolarHBondContact O-N 3.05Å; I418-C422 WeakPolarHBondContact O-CB 3.18Å; I418-C422 PolarHBondContact O-N 3.23Å; I418-C422 PolarHBondContact O-SG 3.46Å; I418-F465 HydrophobicContact CD1-CD2 3.81Å; I418-F465 HydrophobicContact CD1-CE2 4.19Å; I418-F465 HydrophobicContact CD1-CG 4.45Å; I418-F465 HydrophobicContact CG2-CD2 4.11Å; I418-F465 HydrophobicContact CG2-CE2 3.69Å; I418-Q468 HydrophobicContact CD1-CB 4.47Å; I418-Q468 HydrophobicContact CD1-CG 4.44Å; I418-V469 HydrophobicContact CD1-CG2 3.68Å; I418-V469 HydrophobicContact CG1-CG2 3.8Å; I418-C482 HydrophobicContact CG1-CB 4.41Å; I418-C482 HydrophobicContact CG2-CB 4.04Å
419	H	89.1	Confident	84.4	Confident	76 Å²	76	54 Å²	54	35%	0.352	29%	0.29	S	S	.	.	H	α-helix	trans	-58	-43.8	171.3	-88.6	-72.5	0	0	0	112.2	L415 N423 V485	L415-H419 PolarHBondContact O-CD2 3.42Å; L415-H419 VanDerWaalsContact O-CD2 3.24Å; L415-H419 PolarHBondContact O-N 3.46Å; H419-N423 VanDerWaalsContact O-CB 3.25Å; H419-N423 WeakPolarHBondContact O-CB 3.38Å; H419-N423 PolarHBondContact O-N 2.95Å; H419-V485 WeakPolarHBondContact CE1-CG2 3.41Å; H419-V485 WeakPolarHBondContact ND1-CG1 3.47Å
420	K	88.2	Confident	85.1	Confident	95 Å²	95	47.4 Å²	47.4	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-44.1	175.8	-69.2	171.4	-178.6	176.4	0	111.8	L408 L416 Y417 I418 N423 I424	L408-K420 HydrophobicContact CD1-CB 3.92Å; L408-K420 HydrophobicContact CD1-CD 4.27Å; L408-K420 HydrophobicContact CD2-CB 4.36Å; L416-K420 WeakPolarHBondContact O-CG 3.27Å; L416-K420 PolarHBondContact O-N 2.83Å; Y417-K420 WeakPolarHBondContact O-CB 3.09Å; Y417-K420 PolarHBondContact O-N 3.38Å; Y417-K420 VanDerWaalsContact O-N 3.17Å; I418-K420 VanDerWaalsContact C-N 3.33Å; I418-K420 PolarHBondContact O-N 3.02Å; K420-N423 PolarHBondContact O-N 3.17Å; K420-I424 WeakPolarHBondContact O-CB 3.38Å; K420-I424 VanDerWaalsContact O-CG1 3.27Å; K420-I424 WeakPolarHBondContact O-CG1 3.37Å; K420-I424 PolarHBondContact O-N 3.1Å
421	L	89.9	Confident	85.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-48.7	179.1	-178.3	67.7	0	0	0	111.3	I405 L408 Y417 I418 F425 F461 A464 F465	I405-L421 HydrophobicContact CB-CD1 4.48Å; I405-L421 HydrophobicContact CG1-CD1 4.08Å; I405-L421 HydrophobicContact CG2-CD1 3.96Å; L408-L421 HydrophobicContact CD2-CB 3.74Å; L408-L421 HydrophobicContact CD2-CD1 3.96Å; L408-L421 HydrophobicContact CD2-CG 4.46Å; Y417-L421 HydrophobicContact CE1-CB 4.39Å; Y417-L421 HydrophobicContact CE1-CD2 4.11Å; Y417-L421 WeakPolarHBondContact O-CB 3.26Å; Y417-L421 PolarHBondContact O-N 2.89Å; I418-L421 HydrophobicContact CD1-CD2 4.11Å; I418-L421 PolarHBondContact O-N 3.05Å; L421-F425 VanDerWaalsContact O-CB 3.31Å; L421-F425 WeakPolarHBondContact O-CB 3.43Å; L421-F425 PolarHBondContact O-N 2.88Å; L421-F461 HydrophobicContact CD2-CD2 4.44Å; L421-F461 HydrophobicContact CD2-CE2 4.15Å; L421-F461 HydrophobicContact CG-CD2 4.21Å; L421-F461 HydrophobicContact CG-CE2 3.95Å; L421-A464 HydrophobicContact CD2-CB 4.49Å; L421-F465 HydrophobicContact CD2-CB 4.47Å
422	C	91.3	Very high	86.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-53.5	174.8	-65.2	0	0	0	0	110.1	I418 I424 F425 F426 H489	I418-C422 WeakPolarHBondContact O-CB 3.18Å; I418-C422 PolarHBondContact O-N 3.23Å; I418-C422 PolarHBondContact O-SG 3.46Å; C422-I424 VanDerWaalsContact C-N 3.34Å; C422-I424 PolarHBondContact O-N 3.08Å; C422-F425 PolarHBondContact O-N 3.33Å; C422-F426 HydrophobicContact CB-CD2 3.94Å; C422-F426 HydrophobicContact CB-CE2 4.17Å; C422-F426 WeakPolarHBondContact O-CB 3.29Å; C422-F426 WeakPolarHBondContact O-CD2 3.37Å; C422-F426 PolarHBondContact O-N 3.34Å; C422-H489 HydrophobicContact CB-CB 4.5Å
423	N	90.1	Very high	87.7	Confident	88 Å²	88	39.4 Å²	39.4	47%	0.471	21%	0.211	S	C	.	.	H	α-helix	trans	-58	-44.3	-177.1	-169.9	28.5	0	0	0	112.5	H419 K420 T427	H419-N423 VanDerWaalsContact O-CB 3.25Å; H419-N423 WeakPolarHBondContact O-CB 3.38Å; H419-N423 PolarHBondContact O-N 2.95Å; K420-N423 PolarHBondContact O-N 3.17Å; N423-T427 WeakPolarHBondContact O-CB 3.28Å; N423-T427 PolarHBondContact O-N 2.87Å; N423-T427 PolarHBondContact O-OG1 2.89Å; N423-T427 PolarHBondContact OD1-OG1 2.67Å
424	I	89.6	Confident	88.1	Confident	62 Å²	62	41.5 Å²	41.5	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-49.1	177.1	-69.3	166.2	0	0	0	111.1	A404 L408 K420 C422 S428	A404-I424 HydrophobicContact CB-CG2 3.92Å; L408-I424 HydrophobicContact CD1-CD1 3.87Å; K420-I424 WeakPolarHBondContact O-CB 3.38Å; K420-I424 VanDerWaalsContact O-CG1 3.27Å; K420-I424 WeakPolarHBondContact O-CG1 3.37Å; K420-I424 PolarHBondContact O-N 3.1Å; C422-I424 VanDerWaalsContact C-N 3.34Å; C422-I424 PolarHBondContact O-N 3.08Å; I424-S428 WeakPolarHBondContact O-CB 3.25Å; I424-S428 PolarHBondContact O-N 2.96Å
425	F	91.9	Very high	88.3	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-53	-177.3	175.3	-104	0	0	0	112.1	V401 I405 L421 C422 S428 L429 A457 M458 F461	V401-F425 HydrophobicContact CG1-CD2 3.84Å; V401-F425 HydrophobicContact CG1-CE2 4.11Å; I405-F425 HydrophobicContact CD1-CD2 4.29Å; L421-F425 VanDerWaalsContact O-CB 3.31Å; L421-F425 WeakPolarHBondContact O-CB 3.43Å; L421-F425 PolarHBondContact O-N 2.88Å; C422-F425 PolarHBondContact O-N 3.33Å; F425-S428 PolarHBondContact O-N 3.5Å; F425-L429 HydrophobicContact CE1-CD2 4.27Å; F425-L429 HydrophobicContact CZ-CD2 4.34Å; F425-L429 WeakPolarHBondContact O-CB 3.32Å; F425-L429 PolarHBondContact O-N 3.33Å; F425-A457 HydrophobicContact CE2-CB 4.02Å; F425-A457 WeakPolarHBondContact CE2-O 3.25Å; F425-A457 HydrophobicContact CZ-CB 4.21Å; F425-M458 HydrophobicContact CE1-CE 3.99Å; F425-M458 HydrophobicContact CE1-SD 4.14Å; F425-F461 HydrophobicContact CB-CD2 3.72Å; F425-F461 HydrophobicContact CB-CE2 4.23Å; F425-F461 HydrophobicContact CD1-CB 3.87Å; F425-F461 HydrophobicContact CD1-CD1 4.24Å; F425-F461 AromaticContact CD1-CD2 3.6Å; F425-F461 HydrophobicContact CD1-CD2 3.6Å; F425-F461 HydrophobicContact CD1-CE2 4.2Å; F425-F461 AromaticContact CD1-CG 3.62Å; F425-F461 HydrophobicContact CD1-CG 3.62Å; F425-F461 HydrophobicContact CD2-CB 3.82Å; F425-F461 HydrophobicContact CD2-CD2 4.28Å; F425-F461 HydrophobicContact CD2-CG 4.34Å; F425-F461 HydrophobicContact CE1-CB 3.79Å; F425-F461 HydrophobicContact CE1-CD1 4.27Å; F425-F461 HydrophobicContact CE1-CD2 4.31Å; F425-F461 AromaticContact CE1-CG 3.86Å; F425-F461 HydrophobicContact CE1-CG 3.86Å; F425-F461 HydrophobicContact CE2-CB 3.73Å; F425-F461 HydrophobicContact CG-CB 3.89Å; F425-F461 AromaticContact CG-CD2 3.58Å; F425-F461 HydrophobicContact CG-CD2 3.58Å; F425-F461 HydrophobicContact CG-CE2 4.38Å; F425-F461 AromaticContact CG-CG 3.89Å; F425-F461 HydrophobicContact CG-CG 3.89Å; F425-F461 HydrophobicContact CZ-CB 3.73Å; F425-F461 HydrophobicContact CZ-CG 4.32Å
426	F	90.8	Very high	88.5	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-38.4	-177.3	-72.8	-74	0	0	0	111.8	C422 L429 L430 M458 F461 H489 C490 L493	C422-F426 HydrophobicContact CB-CD2 3.94Å; C422-F426 HydrophobicContact CB-CE2 4.17Å; C422-F426 WeakPolarHBondContact O-CB 3.29Å; C422-F426 WeakPolarHBondContact O-CD2 3.37Å; C422-F426 PolarHBondContact O-N 3.34Å; F426-L429 PolarHBondContact O-N 3.49Å; F426-L430 VanDerWaalsContact O-CB 3.28Å; F426-L430 WeakPolarHBondContact O-CB 3.44Å; F426-L430 PolarHBondContact O-N 2.92Å; F426-M458 HydrophobicContact CE1-CE 3.92Å; F426-M458 HydrophobicContact CZ-CE 4.22Å; F426-F461 HydrophobicContact CE2-CE1 4.26Å; F426-F461 HydrophobicContact CE2-CE2 4.36Å; F426-F461 AromaticContact CE2-CZ 3.93Å; F426-F461 HydrophobicContact CE2-CZ 3.93Å; F426-F461 HydrophobicContact CZ-CE1 4.37Å; F426-F461 HydrophobicContact CZ-CZ 4.49Å; F426-H489 HydrophobicContact CB-CB 4.28Å; F426-H489 HydrophobicContact CD1-CB 4.4Å; F426-H489 HydrophobicContact CD2-CB 3.34Å; F426-H489 HydrophobicContact CE2-CB 3.69Å; F426-H489 HydrophobicContact CG-CB 3.76Å; F426-H489 HydrophobicContact CZ-CB 4.35Å; F426-C490 HydrophobicContact CE1-CB 3.82Å; F426-C490 HydrophobicContact CZ-CB 3.88Å; F426-L493 HydrophobicContact CD1-CD1 3.7Å; F426-L493 HydrophobicContact CD1-CD2 4.16Å; F426-L493 HydrophobicContact CD1-CG 3.89Å; F426-L493 HydrophobicContact CE1-CD1 3.73Å; F426-L493 HydrophobicContact CE1-CG 4.31Å
427	T	89.2	Confident	88.5	Confident	53 Å²	53	39.2 Å²	39.2	33%	0.325	19%	0.193	S	C	.	.	H	α-helix	trans	-65.8	-44.2	174	-56.6	0	0	0	0	111.5	N423 L429 L430 E431	N423-T427 WeakPolarHBondContact O-CB 3.28Å; N423-T427 PolarHBondContact O-N 2.87Å; N423-T427 PolarHBondContact O-OG1 2.89Å; N423-T427 PolarHBondContact OD1-OG1 2.67Å; T427-L429 VanDerWaalsContact C-N 3.3Å; T427-L429 PolarHBondContact O-N 2.89Å; T427-L430 WeakPolarHBondContact O-CB 3.49Å; T427-L430 PolarHBondContact O-N 2.82Å; T427-L430 VanDerWaalsContact O-N 3.17Å; T427-E431 HydrophobicContact CG2-CG 4.43Å; T427-E431 WeakPolarHBondContact O-CG 3.45Å; T427-E431 PolarHBondContact O-N 3.39Å
428	S	88.4	Confident	88.3	Confident	24 Å²	24	44.7 Å²	44.7	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-35.1	177.6	-170.7	0	0	0	0	112.3	V401 I424 F425 T432	V401-S428 WeakPolarHBondContact CG2-OG 3.36Å; I424-S428 WeakPolarHBondContact O-CB 3.25Å; I424-S428 PolarHBondContact O-N 2.96Å; F425-S428 PolarHBondContact O-N 3.5Å; S428-T432 VanDerWaalsContact O-CB 3.3Å; S428-T432 WeakPolarHBondContact O-CB 3.37Å; S428-T432 PolarHBondContact O-N 3.41Å; S428-T432 PolarHBondContact O-OG1 3.36Å
429	L	89.9	Confident	88	Confident	2 Å²	2	46 Å²	46	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-42	172.7	-171.2	68	0	0	0	111.6	F425 F426 T427 T432 A433 W453 L493 L500	F425-L429 HydrophobicContact CE1-CD2 4.27Å; F425-L429 HydrophobicContact CZ-CD2 4.34Å; F425-L429 WeakPolarHBondContact O-CB 3.32Å; F425-L429 PolarHBondContact O-N 3.33Å; F426-L429 PolarHBondContact O-N 3.49Å; T427-L429 VanDerWaalsContact C-N 3.3Å; T427-L429 PolarHBondContact O-N 2.89Å; L429-T432 PolarHBondContact O-N 3.09Å; L429-A433 WeakPolarHBondContact O-CB 3.29Å; L429-A433 PolarHBondContact O-N 3.01Å; L429-W453 HydrophobicContact CD1-CE3 4.39Å; L429-W453 HydrophobicContact CD1-CH2 3.74Å; L429-W453 HydrophobicContact CD1-CZ3 3.43Å; L429-W453 VanDerWaalsContact CD1-CZ3 3.43Å; L429-L493 HydrophobicContact CD2-CD1 3.56Å; L429-L493 HydrophobicContact CD2-CD2 3.94Å; L429-L493 HydrophobicContact CD2-CG 4.41Å; L429-L493 HydrophobicContact CG-CD2 4.34Å; L429-L500 HydrophobicContact CD2-CD1 3.88Å
430	L	87.8	Confident	87.7	Confident	45 Å²	45	42.4 Å²	42.4	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-45.4	176.8	-160.6	94	0	0	0	112.1	F426 T427 A433 K434 L493 I496	F426-L430 VanDerWaalsContact O-CB 3.28Å; F426-L430 WeakPolarHBondContact O-CB 3.44Å; F426-L430 PolarHBondContact O-N 2.92Å; T427-L430 WeakPolarHBondContact O-CB 3.49Å; T427-L430 PolarHBondContact O-N 2.82Å; T427-L430 VanDerWaalsContact O-N 3.17Å; L430-A433 PolarHBondContact O-N 2.97Å; L430-K434 WeakPolarHBondContact O-CG 3.34Å; L430-K434 PolarHBondContact O-N 3.38Å; L430-K434 VanDerWaalsContact O-N 3.09Å; L430-L493 HydrophobicContact CD1-CD2 4.26Å; L430-I496 HydrophobicContact CD1-CD1 3.32Å; L430-I496 HydrophobicContact CD1-CG1 4.04Å; L430-I496 HydrophobicContact CG-CD1 3.57Å
431	E	86.6	Confident	87.1	Confident	103 Å²	103	41.2 Å²	41.2	48%	0.481	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-45.3	174	-72.8	174.9	170.5	0	0	110.9	T427 A433 K434 E435	T427-E431 HydrophobicContact CG2-CG 4.43Å; T427-E431 WeakPolarHBondContact O-CG 3.45Å; T427-E431 PolarHBondContact O-N 3.39Å; E431-A433 VanDerWaalsContact C-N 3.34Å; E431-A433 PolarHBondContact O-N 2.7Å; E431-K434 PolarHBondContact O-N 3.44Å; E431-E435 WeakPolarHBondContact O-CB 3.2Å; E431-E435 WeakPolarHBondContact O-CG 3.38Å; E431-E435 PolarHBondContact O-N 3.02Å
432	T	88.7	Confident	86.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-36.6	178.9	-54.2	0	0	0	0	112.1	F393 R397 S428 L429 F436 F450 W453	F393-T432 HydrophobicContact CE1-CG2 3.83Å; F393-T432 HydrophobicContact CZ-CG2 4.06Å; R397-T432 HydrophobicContact CB-CG2 4.03Å; R397-T432 WeakPolarHBondContact CD-OG1 3.39Å; R397-T432 HydrophobicContact CG-CG2 3.69Å; R397-T432 PolarHBondContact NH1-OG1 2.9Å; S428-T432 VanDerWaalsContact O-CB 3.3Å; S428-T432 WeakPolarHBondContact O-CB 3.37Å; S428-T432 PolarHBondContact O-N 3.41Å; S428-T432 PolarHBondContact O-OG1 3.36Å; L429-T432 PolarHBondContact O-N 3.09Å; T432-F436 WeakPolarHBondContact O-CB 3.4Å; T432-F436 PolarHBondContact O-N 2.86Å; T432-F450 HydrophobicContact CG2-CE2 4.37Å; T432-W453 HydrophobicContact CG2-CH2 3.58Å; T432-W453 HydrophobicContact CG2-CZ2 4.3Å; T432-W453 HydrophobicContact CG2-CZ3 3.83Å
433	A	87.4	Confident	85.5	Confident	10 Å²	10	47.5 Å²	47.5	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-48.3	173.9	0	0	0	0	0	111.7	L429 L430 E431 F436 E437 F450 I496	L429-A433 WeakPolarHBondContact O-CB 3.29Å; L429-A433 PolarHBondContact O-N 3.01Å; L430-A433 PolarHBondContact O-N 2.97Å; E431-A433 VanDerWaalsContact C-N 3.34Å; E431-A433 PolarHBondContact O-N 2.7Å; A433-F436 PolarHBondContact O-N 2.92Å; A433-E437 WeakPolarHBondContact O-CB 3.48Å; A433-E437 PolarHBondContact O-N 3.27Å; A433-F450 HydrophobicContact CB-CE1 4.42Å; A433-F450 HydrophobicContact CB-CE2 4.48Å; A433-F450 HydrophobicContact CB-CZ 3.72Å; A433-I496 HydrophobicContact CB-CG2 4.15Å
434	K	86	Confident	84.6	Confident	106 Å²	106	49.1 Å²	49.1	46%	0.461	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-43	178.1	-71.6	172.8	-179.6	177.5	0	112.3	L430 E431 E437 M438 I496	L430-K434 WeakPolarHBondContact O-CG 3.34Å; L430-K434 PolarHBondContact O-N 3.38Å; L430-K434 VanDerWaalsContact O-N 3.09Å; E431-K434 PolarHBondContact O-N 3.44Å; K434-E437 PolarHBondContact O-N 3.35Å; K434-M438 WeakPolarHBondContact O-CG 3.32Å; K434-M438 PolarHBondContact O-N 2.8Å; K434-I496 HydrophobicContact CG-CD1 4.15Å
435	E	85.1	Confident	83.9	Confident	19 Å²	19	48.8 Å²	48.8	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-37.3	176.5	-70.8	-175.2	-96.4	0	0	112	R374 F393 R397 E431 M438 D439	R374-E435 IonicContact CZ-OE2 3.47Å; R374-E435 VanDerWaalsContact CZ-OE2 3.3Å; R374-E435 IonicContact NE-OE2 2.73Å; R374-E435 PolarHBondContact NE-OE2 3.38Å; R374-E435 VanDerWaalsContact NE-OE2 3.1Å; R374-E435 IonicContact NH2-OE2 2.76Å; R374-E435 PolarHBondContact NH2-OE2 3.45Å; F393-E435 HydrophobicContact CZ-CB 4.2Å; R397-E435 IonicContact CZ-OE1 3.02Å; R397-E435 IonicContact NH1-OE1 3.62Å; R397-E435 PolarHBondContact NH1-OE1 2.89Å; R397-E435 IonicContact NH2-OE1 2.68Å; R397-E435 PolarHBondContact NH2-OE1 2.99Å; R397-E435 IonicContact NH2-OE2 3.09Å; R397-E435 PolarHBondContact NH2-OE2 3.48Å; E431-E435 WeakPolarHBondContact O-CB 3.2Å; E431-E435 WeakPolarHBondContact O-CG 3.38Å; E431-E435 PolarHBondContact O-N 3.02Å; E435-M438 PolarHBondContact O-N 3.22Å; E435-D439 WeakPolarHBondContact O-CB 3.47Å; E435-D439 PolarHBondContact O-N 3.22Å
436	F	87.3	Confident	83.5	Confident	2 Å²	2	49 Å²	49	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-42.5	174.3	-169.4	-90.2	0	0	0	112.1	F393 L394 T432 A433 F440 C446 Y447 F450	F393-F436 HydrophobicContact CD1-CD2 4.09Å; F393-F436 HydrophobicContact CE1-CB 4.28Å; F393-F436 AromaticContact CE1-CD2 3.98Å; F393-F436 HydrophobicContact CE1-CD2 3.98Å; L394-F436 HydrophobicContact CD2-CD2 4.41Å; T432-F436 WeakPolarHBondContact O-CB 3.4Å; T432-F436 PolarHBondContact O-N 2.86Å; A433-F436 PolarHBondContact O-N 2.92Å; F436-F440 HydrophobicContact CD1-CB 4.42Å; F436-F440 AromaticContact CD2-CD2 3.54Å; F436-F440 HydrophobicContact CD2-CD2 3.54Å; F436-F440 AromaticContact CD2-CE2 3.87Å; F436-F440 HydrophobicContact CD2-CE2 3.87Å; F436-F440 HydrophobicContact CD2-CG 4.33Å; F436-F440 HydrophobicContact CE1-CB 4.05Å; F436-F440 HydrophobicContact CE1-CD2 4.48Å; F436-F440 HydrophobicContact CE1-CG 4.41Å; F436-F440 HydrophobicContact CE2-CB 4.45Å; F436-F440 AromaticContact CE2-CD2 3.52Å; F436-F440 HydrophobicContact CE2-CD2 3.52Å; F436-F440 AromaticContact CE2-CE2 3.82Å; F436-F440 HydrophobicContact CE2-CE2 3.82Å; F436-F440 AromaticContact CE2-CG 3.93Å; F436-F440 HydrophobicContact CE2-CG 3.93Å; F436-F440 HydrophobicContact CE2-CZ 4.45Å; F436-F440 HydrophobicContact CG-CD2 4.06Å; F436-F440 HydrophobicContact CZ-CB 4.07Å; F436-F440 HydrophobicContact CZ-CD2 4.01Å; F436-F440 AromaticContact CZ-CG 3.97Å; F436-F440 HydrophobicContact CZ-CG 3.97Å; F436-F440 WeakPolarHBondContact O-CB 3.36Å; F436-F440 PolarHBondContact O-N 2.85Å; F436-C446 HydrophobicContact CZ-CB 3.77Å; F436-C446 WeakPolarHBondContact CZ-O 3.35Å; F436-Y447 HydrophobicContact CD1-CD1 4.27Å; F436-Y447 HydrophobicContact CD1-CE1 4.2Å; F436-Y447 AromaticContact CE1-CD1 3.91Å; F436-Y447 HydrophobicContact CE1-CD1 3.91Å; F436-Y447 HydrophobicContact CE1-CD2 4.21Å; F436-Y447 HydrophobicContact CE1-CE1 4.15Å; F436-Y447 HydrophobicContact CE1-CE2 4.43Å; F436-Y447 AromaticContact CE1-CG 3.96Å; F436-Y447 HydrophobicContact CE1-CG 3.96Å; F436-F450 HydrophobicContact CB-CD2 4.08Å; F436-F450 HydrophobicContact CB-CE2 4.23Å; F436-F450 HydrophobicContact CD1-CB 4.02Å; F436-F450 HydrophobicContact CD1-CD2 4.12Å; F436-F450 HydrophobicContact CD1-CG 4.01Å; F436-F450 HydrophobicContact CD2-CB 4.34Å; F436-F450 AromaticContact CD2-CD2 3.99Å; F436-F450 HydrophobicContact CD2-CD2 3.99Å; F436-F450 HydrophobicContact CD2-CG 4.47Å; F436-F450 HydrophobicContact CE1-CB 3.73Å; F436-F450 HydrophobicContact CE1-CG 4.23Å; F436-F450 HydrophobicContact CE2-CB 4.07Å; F436-F450 HydrophobicContact CG-CB 4.32Å; F436-F450 AromaticContact CG-CD2 3.77Å; F436-F450 HydrophobicContact CG-CD2 3.77Å; F436-F450 HydrophobicContact CG-CE2 4.4Å; F436-F450 HydrophobicContact CG-CG 4.14Å; F436-F450 HydrophobicContact CZ-CB 3.75Å
437	E	84.9	Confident	83.2	Confident	110 Å²	110	52.6 Å²	52.6	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-42.4	175.4	-172	179.8	-169.2	0	0	111.8	A433 K434 A441	A433-E437 WeakPolarHBondContact O-CB 3.48Å; A433-E437 PolarHBondContact O-N 3.27Å; K434-E437 PolarHBondContact O-N 3.35Å; E437-A441 WeakPolarHBondContact O-CB 3.31Å; E437-A441 PolarHBondContact O-N 3.14Å
438	M	83.9	Confident	83.1	Confident	133 Å²	133	54 Å²	54	66%	0.655	32%	0.323	S	S	*	.	H	α-helix	trans	-64.2	-46.6	176.2	-72.4	-176.3	74.6	0	0	113	K434 E435	K434-M438 WeakPolarHBondContact O-CG 3.32Å; K434-M438 PolarHBondContact O-N 2.8Å; E435-M438 PolarHBondContact O-N 3.22Å
439	D	81.9	Confident	83.1	Confident	29 Å²	29	54.7 Å²	54.7	16%	0.155	33%	0.33	C	S	.	.	H	α-helix	trans	-80.7	-31.6	-173.3	-67.1	-17.3	0	0	0	112.3	R374 V377 I381 E435	R374-D439 WeakPolarHBondContact CG-OD1 3.38Å; R374-D439 WeakPolarHBondContact CG-OD2 3.39Å; V377-D439 HydrophobicContact CG1-CB 4.27Å; I381-D439 HydrophobicContact CD1-CB 4.26Å; I381-D439 VanDerWaalsContact CD1-O 3.24Å; I381-D439 WeakPolarHBondContact CD1-O 3.34Å; E435-D439 WeakPolarHBondContact O-CB 3.47Å; E435-D439 PolarHBondContact O-N 3.22Å
440	F	82.7	Confident	83.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-112.2	12.2	-171.6	-64.1	-89.5	0	0	0	115.7	V377 I381 A389 C390 F393 F436 G442 N443 C446	V377-F440 HydrophobicContact CG1-CE2 3.83Å; V377-F440 HydrophobicContact CG1-CZ 3.69Å; I381-F440 HydrophobicContact CD1-CD1 3.76Å; I381-F440 HydrophobicContact CD1-CD2 4.38Å; I381-F440 HydrophobicContact CD1-CE1 3.49Å; I381-F440 VanDerWaalsContact CD1-CE1 3.49Å; I381-F440 HydrophobicContact CD1-CE2 4.15Å; I381-F440 HydrophobicContact CD1-CG 4.2Å; I381-F440 HydrophobicContact CD1-CZ 3.71Å; I381-F440 HydrophobicContact CG1-CD1 4.39Å; I381-F440 HydrophobicContact CG1-CE1 3.89Å; I381-F440 HydrophobicContact CG1-CZ 4.34Å; A389-F440 HydrophobicContact CB-CE1 4.42Å; A389-F440 HydrophobicContact CB-CZ 4.35Å; C390-F440 HydrophobicContact CB-CD1 4.46Å; C390-F440 HydrophobicContact CB-CE1 3.7Å; C390-F440 HydrophobicContact CB-CZ 3.9Å; F393-F440 HydrophobicContact CD1-CE2 4.46Å; F436-F440 HydrophobicContact CD1-CB 4.42Å; F436-F440 AromaticContact CD2-CD2 3.54Å; F436-F440 HydrophobicContact CD2-CD2 3.54Å; F436-F440 AromaticContact CD2-CE2 3.87Å; F436-F440 HydrophobicContact CD2-CE2 3.87Å; F436-F440 HydrophobicContact CD2-CG 4.33Å; F436-F440 HydrophobicContact CE1-CB 4.05Å; F436-F440 HydrophobicContact CE1-CD2 4.48Å; F436-F440 HydrophobicContact CE1-CG 4.41Å; F436-F440 HydrophobicContact CE2-CB 4.45Å; F436-F440 AromaticContact CE2-CD2 3.52Å; F436-F440 HydrophobicContact CE2-CD2 3.52Å; F436-F440 AromaticContact CE2-CE2 3.82Å; F436-F440 HydrophobicContact CE2-CE2 3.82Å; F436-F440 AromaticContact CE2-CG 3.93Å; F436-F440 HydrophobicContact CE2-CG 3.93Å; F436-F440 HydrophobicContact CE2-CZ 4.45Å; F436-F440 HydrophobicContact CG-CD2 4.06Å; F436-F440 HydrophobicContact CZ-CB 4.07Å; F436-F440 HydrophobicContact CZ-CD2 4.01Å; F436-F440 AromaticContact CZ-CG 3.97Å; F436-F440 HydrophobicContact CZ-CG 3.97Å; F436-F440 WeakPolarHBondContact O-CB 3.36Å; F436-F440 PolarHBondContact O-N 2.85Å; F440-G442 PolarHBondContact O-N 3.38Å; F440-N443 PolarHBondContact O-N 2.87Å; F440-C446 HydrophobicContact CD1-CB 3.99Å; F440-C446 HydrophobicContact CG-CB 4.47Å
441	A	76.3	Confident	83.2	Confident	71 Å²	71	56.8 Å²	56.8	59%	0.587	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-33.3	-178.1	0	0	0	0	0	115.7	E437	E437-A441 WeakPolarHBondContact O-CB 3.31Å; E437-A441 PolarHBondContact O-N 3.14Å
442	G	70.8	Confident	83.4	Confident	74 Å²	74	56.9 Å²	56.9	76%	0.763	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-10.6	178.3	0	0	0	0	0	116	F440	F440-G442 PolarHBondContact O-N 3.38Å
443	N	75.4	Confident	83.6	Confident	57 Å²	57	57.9 Å²	57.9	31%	0.305	36%	0.355	S	S	.	.			trans	-117.1	74.4	-168.4	-79	-58.9	0	0	0	112.2	F440 G445 C446	F440-N443 PolarHBondContact O-N 2.87Å; N443-G445 PolarHBondContact O-N 3.45Å; N443-C446 WeakPolarHBondContact O-CB 3.48Å; N443-C446 PolarHBondContact O-N 3.46Å
444	T	72.8	Confident	83.7	Confident	123 Å²	123	57.4 Å²	57.4	76%	0.755	35%	0.351	S	S	*	.	H	α-helix	trans	-51.4	-34.3	-177.3	52.9	0	0	0	0	114.5	C446 Y447	T444-C446 VanDerWaalsContact C-N 3.25Å; T444-C446 PolarHBondContact O-N 3.37Å; T444-Y447 PolarHBondContact O-N 2.93Å
445	G	75.3	Confident	84	Confident	55 Å²	55	60 Å²	60	57%	0.567	36%	0.358	S	S	*	.	H	α-helix	trans	-59.4	-31.6	177	0	0	0	0	0	114.3	N443 Y447 S448	N443-G445 PolarHBondContact O-N 3.45Å; G445-Y447 VanDerWaalsContact C-N 3.35Å; G445-Y447 PolarHBondContact O-N 3.33Å; G445-S448 PolarHBondContact O-N 3.04Å; G445-S448 PolarHBondContact O-OG 3.32Å
446	C	81.5	Confident	84.3	Confident	7 Å²	7	62.2 Å²	62.2	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-72.2	-26	-176.2	-63.8	0	0	0	0	112.9	C390 F436 F440 N443 T444 S448 A449 F450	C390-C446 HydrophobicContact CB-CB 4.17Å; F436-C446 HydrophobicContact CZ-CB 3.77Å; F436-C446 WeakPolarHBondContact CZ-O 3.35Å; F440-C446 HydrophobicContact CD1-CB 3.99Å; F440-C446 HydrophobicContact CG-CB 4.47Å; N443-C446 WeakPolarHBondContact O-CB 3.48Å; N443-C446 PolarHBondContact O-N 3.46Å; T444-C446 VanDerWaalsContact C-N 3.25Å; T444-C446 PolarHBondContact O-N 3.37Å; C446-S448 PolarHBondContact O-N 2.96Å; C446-A449 WeakPolarHBondContact O-CB 3.5Å; C446-A449 PolarHBondContact O-N 3.38Å; C446-F450 PolarHBondContact O-N 2.91Å; C446-F450 VanDerWaalsContact O-N 3.14Å
447	Y	85.3	Confident	84.5	Confident	81 Å²	81	62.1 Å²	62.1	32%	0.318	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-29.4	178.5	-73.3	-97	0	0	0	112.7	F436 T444 G445 A449 F450 V451	F436-Y447 HydrophobicContact CD1-CD1 4.27Å; F436-Y447 HydrophobicContact CD1-CE1 4.2Å; F436-Y447 AromaticContact CE1-CD1 3.91Å; F436-Y447 HydrophobicContact CE1-CD1 3.91Å; F436-Y447 HydrophobicContact CE1-CD2 4.21Å; F436-Y447 HydrophobicContact CE1-CE1 4.15Å; F436-Y447 HydrophobicContact CE1-CE2 4.43Å; F436-Y447 AromaticContact CE1-CG 3.96Å; F436-Y447 HydrophobicContact CE1-CG 3.96Å; T444-Y447 PolarHBondContact O-N 2.93Å; G445-Y447 VanDerWaalsContact C-N 3.35Å; G445-Y447 PolarHBondContact O-N 3.33Å; Y447-A449 PolarHBondContact O-N 3.23Å; Y447-F450 PolarHBondContact O-N 3.34Å; Y447-V451 WeakPolarHBondContact O-CG2 3.42Å; Y447-V451 PolarHBondContact O-N 3.49Å
448	S	87.9	Confident	84.8	Confident	82 Å²	82	56.9 Å²	56.9	57%	0.573	35%	0.351	S	S	*	.	H	α-helix	trans	-62	-41.9	173.6	68.8	0	0	0	0	112.3	G445 C446 V451 V452	G445-S448 PolarHBondContact O-N 3.04Å; G445-S448 PolarHBondContact O-OG 3.32Å; C446-S448 PolarHBondContact O-N 2.96Å; S448-V451 PolarHBondContact O-N 3.49Å; S448-V452 WeakPolarHBondContact O-CG2 3.45Å; S448-V452 PolarHBondContact O-N 3.49Å; S448-V452 VanDerWaalsContact O-N 3.14Å
449	A	88.1	Confident	85.1	Confident	39 Å²	39	52.8 Å²	52.8	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-68.8	-36.9	176.4	0	0	0	0	0	111.7	L394 C446 Y447 V452 W453	L394-A449 HydrophobicContact CD1-CB 4.09Å; C446-A449 WeakPolarHBondContact O-CB 3.5Å; C446-A449 PolarHBondContact O-N 3.38Å; Y447-A449 PolarHBondContact O-N 3.23Å; A449-V452 PolarHBondContact O-N 2.9Å; A449-W453 WeakPolarHBondContact O-CB 3.33Å; A449-W453 PolarHBondContact O-N 3.29Å
450	F	89.9	Confident	85.5	Confident	14 Å²	14	53.9 Å²	53.9	6%	0.061	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-48.7	172.4	177.3	-99.7	0	0	0	111.6	L394 T432 A433 F436 C446 Y447 V452 W453 S454 L498	L394-F450 HydrophobicContact CD2-CD2 3.95Å; T432-F450 HydrophobicContact CG2-CE2 4.37Å; A433-F450 HydrophobicContact CB-CE1 4.42Å; A433-F450 HydrophobicContact CB-CE2 4.48Å; A433-F450 HydrophobicContact CB-CZ 3.72Å; F436-F450 HydrophobicContact CB-CD2 4.08Å; F436-F450 HydrophobicContact CB-CE2 4.23Å; F436-F450 HydrophobicContact CD1-CB 4.02Å; F436-F450 HydrophobicContact CD1-CD2 4.12Å; F436-F450 HydrophobicContact CD1-CG 4.01Å; F436-F450 HydrophobicContact CD2-CB 4.34Å; F436-F450 AromaticContact CD2-CD2 3.99Å; F436-F450 HydrophobicContact CD2-CD2 3.99Å; F436-F450 HydrophobicContact CD2-CG 4.47Å; F436-F450 HydrophobicContact CE1-CB 3.73Å; F436-F450 HydrophobicContact CE1-CG 4.23Å; F436-F450 HydrophobicContact CE2-CB 4.07Å; F436-F450 HydrophobicContact CG-CB 4.32Å; F436-F450 AromaticContact CG-CD2 3.77Å; F436-F450 HydrophobicContact CG-CD2 3.77Å; F436-F450 HydrophobicContact CG-CE2 4.4Å; F436-F450 HydrophobicContact CG-CG 4.14Å; F436-F450 HydrophobicContact CZ-CB 3.75Å; C446-F450 PolarHBondContact O-N 2.91Å; C446-F450 VanDerWaalsContact O-N 3.14Å; Y447-F450 PolarHBondContact O-N 3.34Å; F450-V452 PolarHBondContact O-N 3.07Å; F450-W453 HydrophobicContact CD2-CE3 4.02Å; F450-W453 HydrophobicContact CD2-CZ3 4.29Å; F450-W453 AromaticContact CE2-CE3 3.88Å; F450-W453 HydrophobicContact CE2-CE3 3.88Å; F450-W453 AromaticContact CE2-CZ3 3.7Å; F450-W453 HydrophobicContact CE2-CZ3 3.7Å; F450-W453 HydrophobicContact CZ-CZ3 4.34Å; F450-W453 CarbonylContact O-C 3.41Å; F450-W453 WeakPolarHBondContact O-CB 3.48Å; F450-W453 PolarHBondContact O-N 3.18Å; F450-W453 VanDerWaalsContact O-N 3.13Å; F450-S454 PolarHBondContact O-N 3.23Å; F450-S454 PolarHBondContact O-OG 2.89Å; F450-L498 HydrophobicContact CE1-CD1 4.3Å; F450-L498 HydrophobicContact CE1-CD2 4.02Å; F450-L498 HydrophobicContact CZ-CD2 4.36Å
451	V	89.2	Confident	85.9	Confident	77 Å²	77	53.9 Å²	53.9	47%	0.467	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-40.8	178.3	174	0	0	0	0	112.2	Y447 S448 W453 S454 R455 L498	Y447-V451 WeakPolarHBondContact O-CG2 3.42Å; Y447-V451 PolarHBondContact O-N 3.49Å; S448-V451 PolarHBondContact O-N 3.49Å; V451-W453 VanDerWaalsContact C-N 3.33Å; V451-W453 PolarHBondContact O-N 3.08Å; V451-S454 PolarHBondContact O-N 3.32Å; V451-R455 PolarHBondContact O-N 2.91Å; V451-L498 HydrophobicContact CG2-CD1 4.45Å
452	V	90.6	Very high	86.7	Confident	106 Å²	106	50.7 Å²	50.7	64%	0.642	31%	0.311	S	S	*	.	H	α-helix	trans	-61.6	-42.3	174.2	171.3	0	0	0	0	111.1	S448 A449 F450 R455 S456	S448-V452 WeakPolarHBondContact O-CG2 3.45Å; S448-V452 PolarHBondContact O-N 3.49Å; S448-V452 VanDerWaalsContact O-N 3.14Å; A449-V452 PolarHBondContact O-N 2.9Å; F450-V452 PolarHBondContact O-N 3.07Å; V452-R455 PolarHBondContact O-N 3.1Å; V452-S456 PolarHBondContact O-N 3Å; V452-S456 VanDerWaalsContact O-N 3.1Å
453	W	92.4	Very high	87.6	Confident	20 Å²	20	51.3 Å²	51.3	8%	0.076	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-44.4	174.7	171.5	89	0	0	0	112.3	L394 R397 L429 T432 A449 F450 V451 R455 S456 A457	L394-W453 HydrophobicContact CB-CB 4.29Å; L394-W453 HydrophobicContact CB-CG 3.96Å; L394-W453 HydrophobicContact CD1-CB 3.99Å; L394-W453 HydrophobicContact CD1-CG 4.46Å; L394-W453 HydrophobicContact CD2-CB 4.07Å; L394-W453 HydrophobicContact CD2-CD2 3.78Å; L394-W453 HydrophobicContact CD2-CE3 3.95Å; L394-W453 HydrophobicContact CD2-CG 3.81Å; L394-W453 HydrophobicContact CG-CB 4.33Å; L394-W453 HydrophobicContact CG-CG 4.27Å; L394-W453 PolarHBondContact O-NE1 3.13Å; R397-W453 HydrophobicContact CB-CH2 4.43Å; R397-W453 HydrophobicContact CB-CZ2 3.77Å; L429-W453 HydrophobicContact CD1-CE3 4.39Å; L429-W453 HydrophobicContact CD1-CH2 3.74Å; L429-W453 HydrophobicContact CD1-CZ3 3.43Å; L429-W453 VanDerWaalsContact CD1-CZ3 3.43Å; T432-W453 HydrophobicContact CG2-CH2 3.58Å; T432-W453 HydrophobicContact CG2-CZ2 4.3Å; T432-W453 HydrophobicContact CG2-CZ3 3.83Å; A449-W453 WeakPolarHBondContact O-CB 3.33Å; A449-W453 PolarHBondContact O-N 3.29Å; F450-W453 HydrophobicContact CD2-CE3 4.02Å; F450-W453 HydrophobicContact CD2-CZ3 4.29Å; F450-W453 AromaticContact CE2-CE3 3.88Å; F450-W453 HydrophobicContact CE2-CE3 3.88Å; F450-W453 AromaticContact CE2-CZ3 3.7Å; F450-W453 HydrophobicContact CE2-CZ3 3.7Å; F450-W453 HydrophobicContact CZ-CZ3 4.34Å; F450-W453 CarbonylContact O-C 3.41Å; F450-W453 WeakPolarHBondContact O-CB 3.48Å; F450-W453 PolarHBondContact O-N 3.18Å; F450-W453 VanDerWaalsContact O-N 3.13Å; V451-W453 VanDerWaalsContact C-N 3.33Å; V451-W453 PolarHBondContact O-N 3.08Å; W453-R455 VanDerWaalsContact C-N 3.28Å; W453-R455 PolarHBondContact O-N 2.86Å; W453-S456 CarbonylContact O-C 3.59Å; W453-S456 WeakPolarHBondContact O-CA 3.38Å; W453-S456 WeakPolarHBondContact O-CB 3.39Å; W453-S456 PolarHBondContact O-N 2.76Å; W453-A457 HydrophobicContact CZ2-CB 4.44Å; W453-A457 WeakPolarHBondContact O-CB 3.07Å; W453-A457 PolarHBondContact O-N 2.92Å
454	S	91.5	Very high	88.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-39.2	177.4	-54.7	0	0	0	0	111.8	F450 V451 A457 M458	F450-S454 PolarHBondContact O-N 3.23Å; F450-S454 PolarHBondContact O-OG 2.89Å; V451-S454 PolarHBondContact O-N 3.32Å; S454-A457 PolarHBondContact O-N 3.26Å; S454-M458 WeakPolarHBondContact O-CB 3.44Å; S454-M458 PolarHBondContact O-N 2.86Å
455	R	91.4	Very high	89	Confident	160 Å²	160	43.9 Å²	43.9	60%	0.604	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-44	172.5	-179.9	175.4	177.6	169.4	1.2	111.9	V451 V452 W453 M458 T459 T503	V451-R455 PolarHBondContact O-N 2.91Å; V452-R455 PolarHBondContact O-N 3.1Å; W453-R455 VanDerWaalsContact C-N 3.28Å; W453-R455 PolarHBondContact O-N 2.86Å; R455-M458 PolarHBondContact O-N 3.2Å; R455-T459 PolarHBondContact O-N 3.03Å; R455-T459 PolarHBondContact O-OG1 2.97Å; R455-T503 HydrophobicContact CG-CG2 4.16Å
456	S	91.1	Very high	89.7	Confident	66 Å²	66	41.7 Å²	41.7	46%	0.462	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-41	176.9	-168.8	0	0	0	0	112.4	V452 W453 T459 M460	V452-S456 PolarHBondContact O-N 3Å; V452-S456 VanDerWaalsContact O-N 3.1Å; W453-S456 CarbonylContact O-C 3.59Å; W453-S456 WeakPolarHBondContact O-CA 3.38Å; W453-S456 WeakPolarHBondContact O-CB 3.39Å; W453-S456 PolarHBondContact O-N 2.76Å; S456-T459 WeakPolarHBondContact O-CB 3.48Å; S456-T459 PolarHBondContact O-N 3.34Å; S456-M460 PolarHBondContact O-N 2.92Å; S456-M460 VanDerWaalsContact O-N 3.07Å
457	A	91.1	Very high	89.9	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-42.8	174.8	0	0	0	0	0	111.6	F425 W453 S454 T459 M460 F461	F425-A457 HydrophobicContact CE2-CB 4.02Å; F425-A457 WeakPolarHBondContact CE2-O 3.25Å; F425-A457 HydrophobicContact CZ-CB 4.21Å; W453-A457 HydrophobicContact CZ2-CB 4.44Å; W453-A457 WeakPolarHBondContact O-CB 3.07Å; W453-A457 PolarHBondContact O-N 2.92Å; S454-A457 PolarHBondContact O-N 3.26Å; A457-T459 VanDerWaalsContact C-N 3.34Å; A457-T459 PolarHBondContact O-N 3.48Å; A457-M460 PolarHBondContact O-N 2.96Å; A457-F461 PolarHBondContact O-N 3.26Å
458	M	91.3	Very high	89.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-40.6	173.6	-174	60.8	72.8	0	0	111.8	F425 F426 S454 R455 M460 F461 V462 L500 T503 L504 L507	F425-M458 HydrophobicContact CE1-CE 3.99Å; F425-M458 HydrophobicContact CE1-SD 4.14Å; F426-M458 HydrophobicContact CE1-CE 3.92Å; F426-M458 HydrophobicContact CZ-CE 4.22Å; S454-M458 WeakPolarHBondContact O-CB 3.44Å; S454-M458 PolarHBondContact O-N 2.86Å; R455-M458 PolarHBondContact O-N 3.2Å; M458-M460 PolarHBondContact O-N 2.94Å; M458-F461 PolarHBondContact O-N 2.77Å; M458-F461 HydrophobicContact SD-CD1 3.82Å; M458-F461 HydrophobicContact SD-CE1 4.45Å; M458-V462 WeakPolarHBondContact O-CG2 3.48Å; M458-V462 PolarHBondContact O-N 2.71Å; M458-V462 HydrophobicContact SD-CG2 4.41Å; M458-L500 HydrophobicContact CE-CB 3.79Å; M458-L500 HydrophobicContact CE-CD1 3.69Å; M458-L500 HydrophobicContact CE-CG 4.41Å; M458-T503 HydrophobicContact CB-CG2 4.29Å; M458-T503 HydrophobicContact CG-CG2 3.94Å; M458-L504 HydrophobicContact SD-CB 4.3Å; M458-L504 HydrophobicContact SD-CD1 4.03Å; M458-L507 HydrophobicContact CG-CD1 4.04Å
459	T	91.8	Very high	89.6	Confident	46 Å²	46	41.4 Å²	41.4	28%	0.282	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-45.5	173.7	-51.8	0	0	0	0	111.7	R455 S456 A457 F461 V462 D463 L507	R455-T459 PolarHBondContact O-N 3.03Å; R455-T459 PolarHBondContact O-OG1 2.97Å; S456-T459 WeakPolarHBondContact O-CB 3.48Å; S456-T459 PolarHBondContact O-N 3.34Å; A457-T459 VanDerWaalsContact C-N 3.34Å; A457-T459 PolarHBondContact O-N 3.48Å; T459-F461 VanDerWaalsContact C-N 3.32Å; T459-F461 PolarHBondContact O-N 2.97Å; T459-V462 PolarHBondContact O-N 2.91Å; T459-D463 WeakPolarHBondContact O-CB 3.49Å; T459-D463 PolarHBondContact O-N 3.43Å; T459-L507 HydrophobicContact CG2-CD2 4.41Å
460	M	89	Confident	89.4	Confident	52 Å²	52	41.2 Å²	41.2	26%	0.256	21%	0.214	S	C	.	.	H	α-helix	trans	-63.7	-35.5	176.3	-69.3	-170.6	-70.1	0	0	113.1	S456 A457 M458 A464	S456-M460 PolarHBondContact O-N 2.92Å; S456-M460 VanDerWaalsContact O-N 3.07Å; A457-M460 PolarHBondContact O-N 2.96Å; M458-M460 PolarHBondContact O-N 2.94Å; M460-A464 PolarHBondContact O-N 3.3Å
461	F	91.9	Very high	88.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-48	173.1	165.4	-96.6	0	0	0	111.4	L421 F425 F426 A457 M458 T459 D463 A464 F465 A486 L504	L421-F461 HydrophobicContact CD2-CD2 4.44Å; L421-F461 HydrophobicContact CD2-CE2 4.15Å; L421-F461 HydrophobicContact CG-CD2 4.21Å; L421-F461 HydrophobicContact CG-CE2 3.95Å; F425-F461 HydrophobicContact CB-CD2 3.72Å; F425-F461 HydrophobicContact CB-CE2 4.23Å; F425-F461 HydrophobicContact CD1-CB 3.87Å; F425-F461 HydrophobicContact CD1-CD1 4.24Å; F425-F461 AromaticContact CD1-CD2 3.6Å; F425-F461 HydrophobicContact CD1-CD2 3.6Å; F425-F461 HydrophobicContact CD1-CE2 4.2Å; F425-F461 AromaticContact CD1-CG 3.62Å; F425-F461 HydrophobicContact CD1-CG 3.62Å; F425-F461 HydrophobicContact CD2-CB 3.82Å; F425-F461 HydrophobicContact CD2-CD2 4.28Å; F425-F461 HydrophobicContact CD2-CG 4.34Å; F425-F461 HydrophobicContact CE1-CB 3.79Å; F425-F461 HydrophobicContact CE1-CD1 4.27Å; F425-F461 HydrophobicContact CE1-CD2 4.31Å; F425-F461 AromaticContact CE1-CG 3.86Å; F425-F461 HydrophobicContact CE1-CG 3.86Å; F425-F461 HydrophobicContact CE2-CB 3.73Å; F425-F461 HydrophobicContact CG-CB 3.89Å; F425-F461 AromaticContact CG-CD2 3.58Å; F425-F461 HydrophobicContact CG-CD2 3.58Å; F425-F461 HydrophobicContact CG-CE2 4.38Å; F425-F461 AromaticContact CG-CG 3.89Å; F425-F461 HydrophobicContact CG-CG 3.89Å; F425-F461 HydrophobicContact CZ-CB 3.73Å; F425-F461 HydrophobicContact CZ-CG 4.32Å; F426-F461 HydrophobicContact CE2-CE1 4.26Å; F426-F461 HydrophobicContact CE2-CE2 4.36Å; F426-F461 AromaticContact CE2-CZ 3.93Å; F426-F461 HydrophobicContact CE2-CZ 3.93Å; F426-F461 HydrophobicContact CZ-CE1 4.37Å; F426-F461 HydrophobicContact CZ-CZ 4.49Å; A457-F461 PolarHBondContact O-N 3.26Å; M458-F461 PolarHBondContact O-N 2.77Å; M458-F461 HydrophobicContact SD-CD1 3.82Å; M458-F461 HydrophobicContact SD-CE1 4.45Å; T459-F461 VanDerWaalsContact C-N 3.32Å; T459-F461 PolarHBondContact O-N 2.97Å; F461-D463 PolarHBondContact O-N 2.89Å; F461-A464 PolarHBondContact O-N 2.81Å; F461-A464 VanDerWaalsContact O-N 3.14Å; F461-F465 HydrophobicContact CZ-CD2 4.09Å; F461-F465 WeakPolarHBondContact O-CB 3.32Å; F461-F465 PolarHBondContact O-N 3.15Å; F461-A486 HydrophobicContact CE1-CB 4.49Å; F461-A486 HydrophobicContact CZ-CB 4.33Å; F461-L504 HydrophobicContact CE1-CD1 4.14Å
462	V	92.1	Very high	87.8	Confident	5 Å²	5	45 Å²	45	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-39.8	178.6	177.2	0	0	0	0	111.3	M458 T459 A464 F465 S466 L504 L507 L508	M458-V462 WeakPolarHBondContact O-CG2 3.48Å; M458-V462 PolarHBondContact O-N 2.71Å; M458-V462 HydrophobicContact SD-CG2 4.41Å; T459-V462 PolarHBondContact O-N 2.91Å; V462-A464 PolarHBondContact O-N 3.36Å; V462-F465 PolarHBondContact O-N 2.99Å; V462-S466 WeakPolarHBondContact O-CB 3.33Å; V462-S466 PolarHBondContact O-N 2.98Å; V462-S466 PolarHBondContact O-OG 3.45Å; V462-L504 HydrophobicContact CG2-CD1 3.78Å; V462-L507 HydrophobicContact CB-CB 4.24Å; V462-L507 HydrophobicContact CB-CD1 4.29Å; V462-L507 HydrophobicContact CG1-CB 3.92Å; V462-L507 HydrophobicContact CG2-CB 4.07Å; V462-L507 HydrophobicContact CG2-CD1 3.92Å; V462-L508 HydrophobicContact CG1-CD2 3.85Å; V462-L508 HydrophobicContact CG1-CG 4.32Å
463	D	89.4	Confident	86.8	Confident	87 Å²	87	49.4 Å²	49.4	47%	0.465	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-28.6	174.4	-82.7	-14.9	0	0	0	113.6	T459 F461 K467	T459-D463 WeakPolarHBondContact O-CB 3.49Å; T459-D463 PolarHBondContact O-N 3.43Å; F461-D463 PolarHBondContact O-N 2.89Å; D463-K467 WeakPolarHBondContact O-CD 3.25Å; D463-K467 WeakPolarHBondContact O-CE 3.34Å; D463-K467 VanDerWaalsContact O-CG 3.3Å; D463-K467 WeakPolarHBondContact O-CG 3.43Å; D463-K467 PolarHBondContact O-NZ 3.26Å
464	A	87.9	Confident	85.8	Confident	22 Å²	22	51.1 Å²	51.1	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-84.7	-41.9	174.9	0	0	0	0	0	111.7	I405 L421 M460 F461 V462 Q468	I405-A464 HydrophobicContact CG2-CB 4.07Å; L421-A464 HydrophobicContact CD2-CB 4.49Å; M460-A464 PolarHBondContact O-N 3.3Å; F461-A464 PolarHBondContact O-N 2.81Å; F461-A464 VanDerWaalsContact O-N 3.14Å; V462-A464 PolarHBondContact O-N 3.36Å; A464-Q468 PolarHBondContact O-N 3Å
465	F	90.1	Very high	85.4	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-52.2	176.1	178.4	-82.5	0	0	0	111.4	I418 L421 F461 V462 K467 Q468 V469 F470 C482 V483 A486 L508	I418-F465 HydrophobicContact CD1-CD2 3.81Å; I418-F465 HydrophobicContact CD1-CE2 4.19Å; I418-F465 HydrophobicContact CD1-CG 4.45Å; I418-F465 HydrophobicContact CG2-CD2 4.11Å; I418-F465 HydrophobicContact CG2-CE2 3.69Å; L421-F465 HydrophobicContact CD2-CB 4.47Å; F461-F465 HydrophobicContact CZ-CD2 4.09Å; F461-F465 WeakPolarHBondContact O-CB 3.32Å; F461-F465 PolarHBondContact O-N 3.15Å; V462-F465 PolarHBondContact O-N 2.99Å; F465-K467 VanDerWaalsContact C-N 3.35Å; F465-K467 PolarHBondContact O-N 3.47Å; F465-Q468 PolarHBondContact O-N 2.9Å; F465-V469 HydrophobicContact CD1-CB 4.39Å; F465-V469 HydrophobicContact CD1-CG2 4.16Å; F465-V469 HydrophobicContact CD2-CG2 4.35Å; F465-V469 HydrophobicContact CE1-CB 4.07Å; F465-V469 HydrophobicContact CE1-CG1 4.23Å; F465-V469 HydrophobicContact CE1-CG2 3.9Å; F465-V469 HydrophobicContact CE2-CG2 4.12Å; F465-V469 HydrophobicContact CG-CG2 4.36Å; F465-V469 HydrophobicContact CZ-CB 4.45Å; F465-V469 HydrophobicContact CZ-CG1 4.44Å; F465-V469 HydrophobicContact CZ-CG2 3.88Å; F465-V469 WeakPolarHBondContact O-CG2 3.24Å; F465-V469 PolarHBondContact O-N 3.33Å; F465-F470 HydrophobicContact CD1-CE2 4.43Å; F465-F470 HydrophobicContact CE1-CE2 4.09Å; F465-F470 HydrophobicContact CE1-CZ 4.5Å; F465-C482 HydrophobicContact CE2-CB 4.18Å; F465-C482 HydrophobicContact CZ-CB 3.95Å; F465-V483 HydrophobicContact CE1-CG2 3.97Å; F465-V483 HydrophobicContact CZ-CG2 3.85Å; F465-A486 HydrophobicContact CE2-CB 3.96Å; F465-A486 HydrophobicContact CZ-CB 4.48Å; F465-L508 HydrophobicContact CD1-CD2 3.85Å; F465-L508 HydrophobicContact CE1-CD2 3.86Å
466	S	89.6	Confident	85	Confident	10 Å²	10	46.3 Å²	46.3	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-36.9	-174.5	-71.6	0	0	0	0	112.9	V462 Q468 V469 F470 D471 D511	V462-S466 WeakPolarHBondContact O-CB 3.33Å; V462-S466 PolarHBondContact O-N 2.98Å; V462-S466 PolarHBondContact O-OG 3.45Å; S466-Q468 PolarHBondContact O-N 3.47Å; S466-V469 PolarHBondContact O-N 3.29Å; S466-F470 WeakPolarHBondContact O-CB 3.47Å; S466-F470 PolarHBondContact O-N 3.27Å; S466-D471 PolarHBondContact O-N 3.29Å; S466-D511 VanDerWaalsContact CB-OD2 3.22Å; S466-D511 WeakPolarHBondContact CB-OD2 3.3Å; S466-D511 PolarHBondContact OG-OD2 3.28Å
467	K	85.7	Confident	84.7	Confident	127 Å²	127	45.4 Å²	45.4	55%	0.552	24%	0.24	S	C	*	.	H	α-helix	trans	-63.1	-29.2	173.6	-73.3	172.5	-169.5	144.6	0	113.4	D463 F465 D471	D463-K467 WeakPolarHBondContact O-CD 3.25Å; D463-K467 WeakPolarHBondContact O-CE 3.34Å; D463-K467 VanDerWaalsContact O-CG 3.3Å; D463-K467 WeakPolarHBondContact O-CG 3.43Å; D463-K467 PolarHBondContact O-NZ 3.26Å; F465-K467 VanDerWaalsContact C-N 3.35Å; F465-K467 PolarHBondContact O-N 3.47Å; K467-D471 WeakPolarHBondContact O-CB 3.45Å
468	Q	83.2	Confident	84.5	Confident	33 Å²	33	47.7 Å²	47.7	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-93.4	-26.2	-178.8	-173.7	57.2	50.9	0	0	112.9	T414 Y417 I418 A464 F465 S466 S472	T414-Q468 HydrophobicContact CG2-CG 3.98Å; T414-Q468 PolarHBondContact OG1-NE2 2.81Å; Y417-Q468 HydrophobicContact CD1-CB 4.49Å; Y417-Q468 HydrophobicContact CD1-CG 3.67Å; Y417-Q468 HydrophobicContact CE1-CB 4.17Å; Y417-Q468 HydrophobicContact CE1-CG 3.76Å; I418-Q468 HydrophobicContact CD1-CB 4.47Å; I418-Q468 HydrophobicContact CD1-CG 4.44Å; A464-Q468 PolarHBondContact O-N 3Å; F465-Q468 PolarHBondContact O-N 2.9Å; S466-Q468 PolarHBondContact O-N 3.47Å; Q468-S472 WeakPolarHBondContact O-CB 3.29Å; Q468-S472 PolarHBondContact O-OG 3.17Å
469	V	84.9	Confident	84.3	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-99.6	-37.7	-176	177.2	0	0	0	0	113.3	T414 I418 F465 S466 S472 A479 C482	T414-V469 HydrophobicContact CG2-CG2 4.42Å; I418-V469 HydrophobicContact CD1-CG2 3.68Å; I418-V469 HydrophobicContact CG1-CG2 3.8Å; F465-V469 HydrophobicContact CD1-CB 4.39Å; F465-V469 HydrophobicContact CD1-CG2 4.16Å; F465-V469 HydrophobicContact CD2-CG2 4.35Å; F465-V469 HydrophobicContact CE1-CB 4.07Å; F465-V469 HydrophobicContact CE1-CG1 4.23Å; F465-V469 HydrophobicContact CE1-CG2 3.9Å; F465-V469 HydrophobicContact CE2-CG2 4.12Å; F465-V469 HydrophobicContact CG-CG2 4.36Å; F465-V469 HydrophobicContact CZ-CB 4.45Å; F465-V469 HydrophobicContact CZ-CG1 4.44Å; F465-V469 HydrophobicContact CZ-CG2 3.88Å; F465-V469 WeakPolarHBondContact O-CG2 3.24Å; F465-V469 PolarHBondContact O-N 3.33Å; S466-V469 PolarHBondContact O-N 3.29Å; V469-S472 PolarHBondContact O-OG 3.42Å; V469-A479 HydrophobicContact CG1-CB 3.7Å; V469-C482 HydrophobicContact CG1-CB 4.23Å; V469-C482 HydrophobicContact CG2-CB 4Å
470	F	83.4	Confident	84.1	Confident	35 Å²	35	45.6 Å²	45.6	15%	0.154	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-39.4	-174.2	-58.7	-65.2	0	0	0	113.2	F465 S466 S472 A479 V483 L508 D511 V512	F465-F470 HydrophobicContact CD1-CE2 4.43Å; F465-F470 HydrophobicContact CE1-CE2 4.09Å; F465-F470 HydrophobicContact CE1-CZ 4.5Å; S466-F470 WeakPolarHBondContact O-CB 3.47Å; S466-F470 PolarHBondContact O-N 3.27Å; F470-S472 VanDerWaalsContact C-N 3.27Å; F470-S472 PolarHBondContact O-N 3.29Å; F470-A479 HydrophobicContact CE1-CB 4.18Å; F470-V483 HydrophobicContact CZ-CG2 4.23Å; F470-L508 HydrophobicContact CE2-CD2 4.06Å; F470-D511 HydrophobicContact CD2-CB 3.44Å; F470-D511 VanDerWaalsContact CD2-CB 3.44Å; F470-D511 HydrophobicContact CE2-CB 3.64Å; F470-D511 HydrophobicContact CG-CB 4.02Å; F470-D511 HydrophobicContact CZ-CB 4.34Å; F470-V512 HydrophobicContact CE1-CG2 4.3Å; F470-V512 HydrophobicContact CZ-CG2 3.75Å
471	D	78.3	Confident	84.1	Confident	122 Å²	122	45.7 Å²	45.7	65%	0.652	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.9	178.1	-65.6	-24.7	0	0	0	112.9	S466 K467 K473	S466-D471 PolarHBondContact O-N 3.29Å; K467-D471 WeakPolarHBondContact O-CB 3.45Å; D471-K473 PolarHBondContact O-N 3.25Å
472	S	66.5	Low	84	Confident	48 Å²	48	45.7 Å²	45.7	34%	0.336	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-2.8	-177	62.1	0	0	0	0	115.1	Q468 V469 F470 E474	Q468-S472 WeakPolarHBondContact O-CB 3.29Å; Q468-S472 PolarHBondContact O-OG 3.17Å; V469-S472 PolarHBondContact O-OG 3.42Å; F470-S472 VanDerWaalsContact C-N 3.27Å; F470-S472 PolarHBondContact O-N 3.29Å; S472-E474 WeakPolarHBondContact CB-OE1 3.46Å; S472-E474 PolarHBondContact O-N 3.5Å; S472-E474 WeakPolarHBondContact OG-CG 3.49Å; S472-E474 PolarHBondContact OG-OE1 3.36Å
473	K	69.6	Low	83.9	Confident	199 Å²	199	45.7 Å²	45.7	87%	0.865	24%	0.241	S	C	*	.			trans	56.5	32.8	-172.8	-57.5	-175.1	178.7	-177.7	0	113.8	D471	D471-K473 PolarHBondContact O-N 3.25Å
474	E	72.8	Confident	83.9	Confident	57 Å²	57	45.9 Å²	45.9	27%	0.266	24%	0.238	S	C	.	.			trans	-70.4	167.2	177.3	-88	175.4	-122.1	0	0	113.7	T414 S472 T478	T414-E474 WeakPolarHBondContact CB-OE1 3.46Å; T414-E474 VanDerWaalsContact CB-OE2 3.23Å; T414-E474 WeakPolarHBondContact CB-OE2 3.48Å; T414-E474 VanDerWaalsContact CG2-OE1 3.3Å; T414-E474 WeakPolarHBondContact CG2-OE1 3.43Å; T414-E474 WeakPolarHBondContact CG2-OE2 3.44Å; T414-E474 VanDerWaalsContact OG1-CD 3.28Å; T414-E474 PolarHBondContact OG1-OE1 3.2Å; T414-E474 PolarHBondContact OG1-OE2 2.98Å; S472-E474 WeakPolarHBondContact CB-OE1 3.46Å; S472-E474 PolarHBondContact O-N 3.5Å; S472-E474 WeakPolarHBondContact OG-CG 3.49Å; S472-E474 PolarHBondContact OG-OE1 3.36Å; E474-T478 PolarHBondContact OE2-OG1 3.24Å
475	S	81.4	Confident	84	Confident	58 Å²	58	45.3 Å²	45.3	41%	0.406	23%	0.232	S	C	.	.			trans	-68.6	148.1	178.7	74.1	0	0	0	0	111.4	S477 T478 A479	S475-S477 PolarHBondContact O-N 2.97Å; S475-S477 VanDerWaalsContact O-N 3.13Å; S475-T478 PolarHBondContact N-OG1 3.1Å; S475-T478 PolarHBondContact O-N 3.39Å; S475-T478 VanDerWaalsContact O-N 3.17Å; S475-T478 PolarHBondContact O-OG1 2.89Å; S475-T478 PolarHBondContact OG-N 2.96Å; S475-T478 VanDerWaalsContact OG-N 3.07Å; S475-T478 PolarHBondContact OG-OG1 3.11Å; S475-A479 PolarHBondContact O-N 3.43Å
476	L	83.8	Confident	84	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-57.4	-30.8	175.4	-171.6	66.2	0	0	0	112.3	A480 L516 Y519 F587 E590 L594	L476-A480 VanDerWaalsContact O-CB 3.31Å; L476-A480 WeakPolarHBondContact O-CB 3.28Å; L476-A480 PolarHBondContact O-N 3.18Å; L476-L516 HydrophobicContact CD1-CD2 4.09Å; L476-L516 HydrophobicContact CD2-CD2 4.07Å; L476-Y519 HydrophobicContact CB-CD1 4.2Å; L476-Y519 HydrophobicContact CB-CD2 3.97Å; L476-Y519 HydrophobicContact CB-CE1 4.27Å; L476-Y519 HydrophobicContact CB-CE2 4.11Å; L476-Y519 HydrophobicContact CB-CG 4.02Å; L476-Y519 HydrophobicContact CD2-CD1 3.65Å; L476-Y519 HydrophobicContact CD2-CE1 4.03Å; L476-Y519 HydrophobicContact CD2-CG 4.06Å; L476-F587 HydrophobicContact CD2-CD2 3.69Å; L476-F587 HydrophobicContact CD2-CE2 3.92Å; L476-E590 HydrophobicContact CD2-CB 3.97Å; L476-E590 HydrophobicContact CG-CB 4.03Å; L476-L594 HydrophobicContact CD1-CD1 3.54Å; L476-L594 HydrophobicContact CG-CD1 4.15Å
477	S	85.9	Confident	84	Confident	47 Å²	47	48.6 Å²	48.6	33%	0.329	25%	0.245	S	C	.	.	H	α-helix	trans	-68.8	-45.3	177.4	-168.1	0	0	0	0	112.8	S475 A479 A480 E481 E590	S475-S477 PolarHBondContact O-N 2.97Å; S475-S477 VanDerWaalsContact O-N 3.13Å; S477-A479 VanDerWaalsContact C-N 3.32Å; S477-A479 PolarHBondContact O-N 3.31Å; S477-A480 PolarHBondContact O-N 3.37Å; S477-E481 PolarHBondContact O-N 3.24Å; S477-E590 VanDerWaalsContact CB-OE1 3.24Å; S477-E590 WeakPolarHBondContact CB-OE1 3.29Å; S477-E590 VanDerWaalsContact OG-CD 3.28Å; S477-E590 PolarHBondContact OG-OE1 2.9Å
478	T	85.6	Confident	84.2	Confident	48 Å²	48	47 Å²	47	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-36.9	174.4	47.9	0	0	0	0	111.6	E474 S475 C482	E474-T478 PolarHBondContact OE2-OG1 3.24Å; S475-T478 PolarHBondContact N-OG1 3.1Å; S475-T478 PolarHBondContact O-N 3.39Å; S475-T478 VanDerWaalsContact O-N 3.17Å; S475-T478 PolarHBondContact O-OG1 2.89Å; S475-T478 PolarHBondContact OG-N 2.96Å; S475-T478 VanDerWaalsContact OG-N 3.07Å; S475-T478 PolarHBondContact OG-OG1 3.11Å; T478-C482 WeakPolarHBondContact O-CB 3.47Å; T478-C482 PolarHBondContact O-N 2.94Å; T478-C482 PolarHBondContact O-SG 2.71Å
479	A	87.4	Confident	84.4	Confident	2 Å²	2	46.9 Å²	46.9	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-42.4	172.4	0	0	0	0	0	112.6	V469 F470 S475 S477 C482 V483	V469-A479 HydrophobicContact CG1-CB 3.7Å; F470-A479 HydrophobicContact CE1-CB 4.18Å; S475-A479 PolarHBondContact O-N 3.43Å; S477-A479 VanDerWaalsContact C-N 3.32Å; S477-A479 PolarHBondContact O-N 3.31Å; A479-C482 PolarHBondContact O-N 3.48Å; A479-V483 WeakPolarHBondContact O-CG2 3.41Å; A479-V483 PolarHBondContact O-N 3.48Å
480	A	87.7	Confident	84.6	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-45.7	177.8	0	0	0	0	0	112.8	L476 S477 V483 K484 E590 K593 L594	L476-A480 VanDerWaalsContact O-CB 3.31Å; L476-A480 WeakPolarHBondContact O-CB 3.28Å; L476-A480 PolarHBondContact O-N 3.18Å; S477-A480 PolarHBondContact O-N 3.37Å; A480-V483 PolarHBondContact O-N 3.4Å; A480-K484 WeakPolarHBondContact O-CB 3.44Å; A480-K484 PolarHBondContact O-N 2.87Å; A480-E590 WeakPolarHBondContact CB-OE2 3.36Å; A480-K593 HydrophobicContact CB-CB 4.05Å; A480-K593 HydrophobicContact CB-CD 4.03Å; A480-L594 HydrophobicContact CB-CD1 4.1Å; A480-L594 HydrophobicContact CB-CD2 4.33Å; A480-L594 HydrophobicContact CB-CG 3.89Å
481	E	88.8	Confident	84.7	Confident	53 Å²	53	49.9 Å²	49.9	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-37.4	174.7	-63.1	-57.9	145.9	0	0	111.8	L415 S477 V483 K484 V485 K593	L415-E481 HydrophobicContact CD1-CB 3.8Å; S477-E481 PolarHBondContact O-N 3.24Å; E481-V483 PolarHBondContact O-N 3.47Å; E481-K484 WeakPolarHBondContact O-CB 3.31Å; E481-K484 PolarHBondContact O-N 3.4Å; E481-K484 WeakPolarHBondContact OE2-CD 3.19Å; E481-K484 IonicContact OE2-NZ 2.6Å; E481-K484 PolarHBondContact OE2-NZ 3.42Å; E481-K484 VanDerWaalsContact OE2-NZ 3.14Å; E481-V485 WeakPolarHBondContact O-CG2 3.2Å; E481-V485 PolarHBondContact O-N 2.94Å; E481-K593 WeakPolarHBondContact OE1-CE 3.38Å; E481-K593 IonicContact OE1-NZ 3.59Å; E481-K593 PolarHBondContact OE1-NZ 2.76Å
482	C	89.5	Confident	85	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-42.6	175	-71.3	0	0	0	0	112.6	I418 F465 V469 T478 A479 V485 A486	I418-C482 HydrophobicContact CG1-CB 4.41Å; I418-C482 HydrophobicContact CG2-CB 4.04Å; F465-C482 HydrophobicContact CE2-CB 4.18Å; F465-C482 HydrophobicContact CZ-CB 3.95Å; V469-C482 HydrophobicContact CG1-CB 4.23Å; V469-C482 HydrophobicContact CG2-CB 4Å; T478-C482 WeakPolarHBondContact O-CB 3.47Å; T478-C482 PolarHBondContact O-N 2.94Å; T478-C482 PolarHBondContact O-SG 2.71Å; A479-C482 PolarHBondContact O-N 3.48Å; C482-V485 PolarHBondContact O-N 3.46Å; C482-A486 PolarHBondContact O-N 3.07Å; C482-A486 VanDerWaalsContact O-N 3.08Å
483	V	89.9	Confident	85.8	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.036	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-37.8	176.7	169.8	0	0	0	0	111.2	F465 F470 A479 A480 E481 A486 K487 L508 L594 F596	F465-V483 HydrophobicContact CE1-CG2 3.97Å; F465-V483 HydrophobicContact CZ-CG2 3.85Å; F470-V483 HydrophobicContact CZ-CG2 4.23Å; A479-V483 WeakPolarHBondContact O-CG2 3.41Å; A479-V483 PolarHBondContact O-N 3.48Å; A480-V483 PolarHBondContact O-N 3.4Å; E481-V483 PolarHBondContact O-N 3.47Å; V483-A486 PolarHBondContact O-N 3.06Å; V483-K487 WeakPolarHBondContact O-CB 3.45Å; V483-K487 PolarHBondContact O-N 3.08Å; V483-L508 HydrophobicContact CG1-CD1 4.26Å; V483-L508 HydrophobicContact CG2-CD1 4.42Å; V483-L594 HydrophobicContact CB-CD2 3.78Å; V483-L594 HydrophobicContact CG1-CD2 3.93Å; V483-L594 HydrophobicContact CG2-CD2 3.81Å; V483-F596 HydrophobicContact CG1-CZ 4.21Å
484	K	89.1	Confident	86.4	Confident	91 Å²	91	40.1 Å²	40.1	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-47.2	173.9	176.7	-174.4	158.9	-159.2	0	111.9	A480 E481 A486 K487 E488	A480-K484 WeakPolarHBondContact O-CB 3.44Å; A480-K484 PolarHBondContact O-N 2.87Å; E481-K484 WeakPolarHBondContact O-CB 3.31Å; E481-K484 PolarHBondContact O-N 3.4Å; E481-K484 WeakPolarHBondContact OE2-CD 3.19Å; E481-K484 IonicContact OE2-NZ 2.6Å; E481-K484 PolarHBondContact OE2-NZ 3.42Å; E481-K484 VanDerWaalsContact OE2-NZ 3.14Å; K484-A486 VanDerWaalsContact C-N 3.34Å; K484-A486 PolarHBondContact O-N 3.49Å; K484-K487 WeakPolarHBondContact O-CB 3.41Å; K484-K487 PolarHBondContact O-N 3.16Å; K484-K487 VanDerWaalsContact O-N 3.11Å; K484-E488 WeakPolarHBondContact CE-OE1 3.33Å; K484-E488 WeakPolarHBondContact CG-OE1 3.23Å; K484-E488 WeakPolarHBondContact O-CG 3.5Å; K484-E488 PolarHBondContact O-N 3.39Å
485	V	90.6	Very high	86.7	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.055	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-43.8	175.9	168.4	0	0	0	0	111.7	H419 E481 C482 K487 E488 H489	H419-V485 WeakPolarHBondContact CE1-CG2 3.41Å; H419-V485 WeakPolarHBondContact ND1-CG1 3.47Å; E481-V485 WeakPolarHBondContact O-CG2 3.2Å; E481-V485 PolarHBondContact O-N 2.94Å; C482-V485 PolarHBondContact O-N 3.46Å; V485-K487 VanDerWaalsContact C-N 3.31Å; V485-K487 PolarHBondContact O-N 2.95Å; V485-E488 PolarHBondContact O-N 3.22Å; V485-H489 PolarHBondContact O-CD2 3.44Å; V485-H489 PolarHBondContact O-N 3.31Å; V485-H489 VanDerWaalsContact O-N 3.1Å
486	A	90.8	Very high	86.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-37.3	175.6	0	0	0	0	0	112.3	F461 F465 C482 V483 K484 C490 L504	F461-A486 HydrophobicContact CE1-CB 4.49Å; F461-A486 HydrophobicContact CZ-CB 4.33Å; F465-A486 HydrophobicContact CE2-CB 3.96Å; F465-A486 HydrophobicContact CZ-CB 4.48Å; C482-A486 PolarHBondContact O-N 3.07Å; C482-A486 VanDerWaalsContact O-N 3.08Å; V483-A486 PolarHBondContact O-N 3.06Å; K484-A486 VanDerWaalsContact C-N 3.34Å; K484-A486 PolarHBondContact O-N 3.49Å; A486-C490 VanDerWaalsContact O-CB 3.29Å; A486-C490 WeakPolarHBondContact O-CB 3.34Å; A486-C490 PolarHBondContact O-N 2.73Å; A486-L504 HydrophobicContact CB-CD2 4.29Å
487	K	88.8	Confident	86.2	Confident	81 Å²	81	48.9 Å²	48.9	35%	0.352	26%	0.26	S	S	.	.	H	α-helix	trans	-68.2	-43.2	176.1	-175.5	-178.8	176.9	-176.5	0	112.4	V483 K484 V485 C490 Q491	V483-K487 WeakPolarHBondContact O-CB 3.45Å; V483-K487 PolarHBondContact O-N 3.08Å; K484-K487 WeakPolarHBondContact O-CB 3.41Å; K484-K487 PolarHBondContact O-N 3.16Å; K484-K487 VanDerWaalsContact O-N 3.11Å; V485-K487 VanDerWaalsContact C-N 3.31Å; V485-K487 PolarHBondContact O-N 2.95Å; K487-C490 PolarHBondContact O-N 3.22Å; K487-Q491 WeakPolarHBondContact O-CG 3.49Å; K487-Q491 PolarHBondContact O-N 3.24Å
488	E	89.8	Confident	86.1	Confident	93 Å²	93	47.7 Å²	47.7	44%	0.435	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-45.8	177.2	-73.4	170.8	-175.8	0	0	111.3	K484 V485 C490 Q491 Q492	K484-E488 WeakPolarHBondContact CE-OE1 3.33Å; K484-E488 WeakPolarHBondContact CG-OE1 3.23Å; K484-E488 WeakPolarHBondContact O-CG 3.5Å; K484-E488 PolarHBondContact O-N 3.39Å; V485-E488 PolarHBondContact O-N 3.22Å; E488-C490 PolarHBondContact O-N 3.01Å; E488-Q491 PolarHBondContact O-N 3.49Å; E488-Q492 PolarHBondContact O-N 3.32Å
489	H	87.9	Confident	86.1	Confident	30 Å²	30	49 Å²	49	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-32.4	173.5	-76.4	-67.8	0	0	0	113.4	C422 F426 V485 Q491 Q492	C422-H489 HydrophobicContact CB-CB 4.5Å; F426-H489 HydrophobicContact CB-CB 4.28Å; F426-H489 HydrophobicContact CD1-CB 4.4Å; F426-H489 HydrophobicContact CD2-CB 3.34Å; F426-H489 HydrophobicContact CE2-CB 3.69Å; F426-H489 HydrophobicContact CG-CB 3.76Å; F426-H489 HydrophobicContact CZ-CB 4.35Å; V485-H489 PolarHBondContact O-CD2 3.44Å; V485-H489 PolarHBondContact O-N 3.31Å; V485-H489 VanDerWaalsContact O-N 3.1Å; H489-Q491 VanDerWaalsContact C-N 3.31Å; H489-Q491 PolarHBondContact O-N 2.92Å; H489-Q492 PolarHBondContact ND1-OE1 3.44Å; H489-Q492 WeakPolarHBondContact O-CB 3.47Å; H489-Q492 PolarHBondContact O-N 2.91Å
490	C	88.4	Confident	86.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-32.5	175.1	-164.2	0	0	0	0	112.5	F426 A486 K487 E488 Q492 L493 L504	F426-C490 HydrophobicContact CE1-CB 3.82Å; F426-C490 HydrophobicContact CZ-CB 3.88Å; A486-C490 VanDerWaalsContact O-CB 3.29Å; A486-C490 WeakPolarHBondContact O-CB 3.34Å; A486-C490 PolarHBondContact O-N 2.73Å; K487-C490 PolarHBondContact O-N 3.22Å; E488-C490 PolarHBondContact O-N 3.01Å; C490-Q492 VanDerWaalsContact C-N 3.29Å; C490-Q492 PolarHBondContact O-N 2.96Å; C490-L493 WeakPolarHBondContact O-CB 3.29Å; C490-L493 PolarHBondContact O-N 3.33Å; C490-L504 HydrophobicContact CB-CD2 3.79Å
491	Q	86.9	Confident	86.1	Confident	101 Å²	101	50 Å²	50	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-66.4	-28.7	174.1	-73.8	176.1	-26.8	0	0	112.8	K487 E488 H489 L493 T494	K487-Q491 WeakPolarHBondContact O-CG 3.49Å; K487-Q491 PolarHBondContact O-N 3.24Å; E488-Q491 PolarHBondContact O-N 3.49Å; H489-Q491 VanDerWaalsContact C-N 3.31Å; H489-Q491 PolarHBondContact O-N 2.92Å; Q491-L493 PolarHBondContact O-N 2.9Å; Q491-T494 WeakPolarHBondContact O-CB 3.39Å; Q491-T494 PolarHBondContact O-N 2.84Å; Q491-T494 PolarHBondContact O-OG1 2.94Å
492	Q	84.6	Confident	86	Confident	94 Å²	94	53.5 Å²	53.5	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-27.1	174.3	-64.1	170	-19.5	0	0	112.2	E488 H489 C490 T494 E495	E488-Q492 PolarHBondContact O-N 3.32Å; H489-Q492 PolarHBondContact ND1-OE1 3.44Å; H489-Q492 WeakPolarHBondContact O-CB 3.47Å; H489-Q492 PolarHBondContact O-N 2.91Å; C490-Q492 VanDerWaalsContact C-N 3.29Å; C490-Q492 PolarHBondContact O-N 2.96Å; Q492-T494 VanDerWaalsContact C-N 3.27Å; Q492-T494 PolarHBondContact O-N 3.28Å; Q492-E495 WeakPolarHBondContact O-CB 3.21Å; Q492-E495 PolarHBondContact O-N 2.64Å
493	L	82.7	Confident	85.9	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-69.4	-25.3	173.6	-57.3	175.9	0	0	0	112.8	F426 L429 L430 C490 Q491 E495 I496 L498 L500	F426-L493 HydrophobicContact CD1-CD1 3.7Å; F426-L493 HydrophobicContact CD1-CD2 4.16Å; F426-L493 HydrophobicContact CD1-CG 3.89Å; F426-L493 HydrophobicContact CE1-CD1 3.73Å; F426-L493 HydrophobicContact CE1-CG 4.31Å; L429-L493 HydrophobicContact CD2-CD1 3.56Å; L429-L493 HydrophobicContact CD2-CD2 3.94Å; L429-L493 HydrophobicContact CD2-CG 4.41Å; L429-L493 HydrophobicContact CG-CD2 4.34Å; L430-L493 HydrophobicContact CD1-CD2 4.26Å; C490-L493 WeakPolarHBondContact O-CB 3.29Å; C490-L493 PolarHBondContact O-N 3.33Å; Q491-L493 PolarHBondContact O-N 2.9Å; L493-E495 PolarHBondContact O-N 2.98Å; L493-I496 PolarHBondContact O-N 3.43Å; L493-L498 CarbonylContact C-O 3.51Å; L493-L498 VanDerWaalsContact CB-O 3.27Å; L493-L498 WeakPolarHBondContact CB-O 3.38Å; L493-L498 PolarHBondContact O-N 3.46Å; L493-L500 HydrophobicContact CD1-CB 4.45Å; L493-L500 HydrophobicContact CD1-CD1 3.87Å; L493-L500 HydrophobicContact CD1-CG 4.28Å
494	T	82.6	Confident	85.9	Confident	67 Å²	67	53.8 Å²	53.8	41%	0.411	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-65.2	-25.2	177.9	-45.5	0	0	0	0	111.5	Q491 Q492 I496 G497	Q491-T494 WeakPolarHBondContact O-CB 3.39Å; Q491-T494 PolarHBondContact O-N 2.84Å; Q491-T494 PolarHBondContact O-OG1 2.94Å; Q492-T494 VanDerWaalsContact C-N 3.27Å; Q492-T494 PolarHBondContact O-N 3.28Å; T494-I496 PolarHBondContact O-N 2.98Å; T494-G497 PolarHBondContact O-N 2.82Å
495	E	77.9	Confident	85.9	Confident	171 Å²	171	51.6 Å²	51.6	80%	0.799	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.2	172.7	-59.1	-177.6	-179.7	0	0	112.9	Q492 L493 G497	Q492-E495 WeakPolarHBondContact O-CB 3.21Å; Q492-E495 PolarHBondContact O-N 2.64Å; L493-E495 PolarHBondContact O-N 2.98Å; E495-G497 VanDerWaalsContact C-N 3.35Å
496	I	75.9	Confident	85.9	Confident	59 Å²	59	55.2 Å²	55.2	30%	0.303	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-91.5	0.7	173.5	-60.7	-165.2	0	0	0	111.4	L430 A433 K434 L493 T494 L498	L430-I496 HydrophobicContact CD1-CD1 3.32Å; L430-I496 HydrophobicContact CD1-CG1 4.04Å; L430-I496 HydrophobicContact CG-CD1 3.57Å; A433-I496 HydrophobicContact CB-CG2 4.15Å; K434-I496 HydrophobicContact CG-CD1 4.15Å; L493-I496 PolarHBondContact O-N 3.43Å; T494-I496 PolarHBondContact O-N 2.98Å; I496-L498 VanDerWaalsContact C-N 3.33Å
497	G	80.2	Confident	85.8	Confident	69 Å²	69	57.8 Å²	57.8	71%	0.711	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	11	-176.2	0	0	0	0	0	114.4	T494 E495	T494-G497 PolarHBondContact O-N 2.82Å; E495-G497 VanDerWaalsContact C-N 3.35Å
498	L	83.2	Confident	85.9	Confident	22 Å²	22	54 Å²	54	12%	0.115	29%	0.291	C	S	.	.			trans	-104.2	84.5	177.5	-172.6	71.8	0	0	0	110.7	F450 V451 L493 I496 L500	F450-L498 HydrophobicContact CE1-CD1 4.3Å; F450-L498 HydrophobicContact CE1-CD2 4.02Å; F450-L498 HydrophobicContact CZ-CD2 4.36Å; V451-L498 HydrophobicContact CG2-CD1 4.45Å; L493-L498 CarbonylContact C-O 3.51Å; L493-L498 VanDerWaalsContact CB-O 3.27Å; L493-L498 WeakPolarHBondContact CB-O 3.38Å; L493-L498 PolarHBondContact O-N 3.46Å; I496-L498 VanDerWaalsContact C-N 3.33Å; L498-L500 HydrophobicContact CD1-CD2 4.25Å; L498-L500 HydrophobicContact CD2-CD1 4.07Å; L498-L500 HydrophobicContact CD2-CG 4.26Å; L498-L500 HydrophobicContact CG-CD1 4.39Å; L498-L500 HydrophobicContact CG-CD2 4.18Å; L498-L500 HydrophobicContact CG-CG 4.02Å; L498-L500 PolarHBondContact O-N 2.94Å
499	D	86.5	Confident	85.9	Confident	77 Å²	77	51 Å²	51	41%	0.412	28%	0.279	S	S	.	.			trans	-77.1	107.4	172.7	-177	22.3	0	0	0	111.6	T501 F502	D499-T501 WeakPolarHBondContact OD1-CB 3.37Å; D499-T501 PolarHBondContact OD1-N 3.48Å; D499-T501 PolarHBondContact OD1-OG1 2.83Å; D499-F502 WeakPolarHBondContact O-CE1 3.08Å
500	L	86.9	Confident	86	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.031	31%	0.306	C	S	.	.			trans	-104.8	6.8	170.9	-58.4	-179.1	0	0	0	112.8	L429 M458 L493 L498 F502 T503 L504	L429-L500 HydrophobicContact CD2-CD1 3.88Å; M458-L500 HydrophobicContact CE-CB 3.79Å; M458-L500 HydrophobicContact CE-CD1 3.69Å; M458-L500 HydrophobicContact CE-CG 4.41Å; L493-L500 HydrophobicContact CD1-CB 4.45Å; L493-L500 HydrophobicContact CD1-CD1 3.87Å; L493-L500 HydrophobicContact CD1-CG 4.28Å; L498-L500 HydrophobicContact CD1-CD2 4.25Å; L498-L500 HydrophobicContact CD2-CD1 4.07Å; L498-L500 HydrophobicContact CD2-CG 4.26Å; L498-L500 HydrophobicContact CG-CD1 4.39Å; L498-L500 HydrophobicContact CG-CD2 4.18Å; L498-L500 HydrophobicContact CG-CG 4.02Å; L498-L500 PolarHBondContact O-N 2.94Å; L500-F502 VanDerWaalsContact C-N 3.3Å; L500-F502 PolarHBondContact O-N 2.95Å; L500-T503 WeakPolarHBondContact O-CA 3.34Å; L500-T503 WeakPolarHBondContact O-CB 3.46Å; L500-T503 PolarHBondContact O-N 3.4Å; L500-L504 PolarHBondContact O-N 3.45Å
501	T	86.1	Confident	86	Confident	18 Å²	18	59 Å²	59	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-43.6	-174	-49.6	0	0	0	0	111.2	D499 T503 L504 Q505	D499-T501 WeakPolarHBondContact OD1-CB 3.37Å; D499-T501 PolarHBondContact OD1-N 3.48Å; D499-T501 PolarHBondContact OD1-OG1 2.83Å; T501-T503 VanDerWaalsContact C-N 3.3Å; T501-T503 PolarHBondContact O-N 3.21Å; T501-L504 PolarHBondContact O-N 3.26Å; T501-Q505 WeakPolarHBondContact O-CB 3.36Å; T501-Q505 VanDerWaalsContact O-CG 3.25Å; T501-Q505 WeakPolarHBondContact O-CG 3.43Å; T501-Q505 PolarHBondContact O-N 3.06Å
502	F	87.9	Confident	86.1	Confident	125 Å²	125	54.1 Å²	54.1	55%	0.548	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-33.6	176.2	80.1	-85.7	0	0	0	112.6	D499 L500 S506	D499-F502 WeakPolarHBondContact O-CE1 3.08Å; L500-F502 VanDerWaalsContact C-N 3.3Å; L500-F502 PolarHBondContact O-N 2.95Å; F502-S506 WeakPolarHBondContact O-CB 3.4Å; F502-S506 PolarHBondContact O-N 3.49Å
503	T	88	Confident	86.4	Confident	6 Å²	6	53.9 Å²	53.9	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-72.9	-45.6	178.7	-66.5	0	0	0	0	110.4	R455 M458 L500 T501 Q505 S506 L507	R455-T503 HydrophobicContact CG-CG2 4.16Å; M458-T503 HydrophobicContact CB-CG2 4.29Å; M458-T503 HydrophobicContact CG-CG2 3.94Å; L500-T503 WeakPolarHBondContact O-CA 3.34Å; L500-T503 WeakPolarHBondContact O-CB 3.46Å; L500-T503 PolarHBondContact O-N 3.4Å; T501-T503 VanDerWaalsContact C-N 3.3Å; T501-T503 PolarHBondContact O-N 3.21Å; T503-Q505 VanDerWaalsContact C-N 3.34Å; T503-Q505 PolarHBondContact O-N 3.08Å; T503-S506 PolarHBondContact O-N 3.16Å; T503-L507 HydrophobicContact CG2-CD1 3.92Å; T503-L507 VanDerWaalsContact O-CG 3.29Å; T503-L507 WeakPolarHBondContact O-CG 3.21Å; T503-L507 PolarHBondContact O-N 3.17Å
504	L	89.9	Confident	86.7	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-57.2	-47.5	174.1	177.8	62.4	0	0	0	111	M458 F461 V462 A486 C490 L500 T501 L508	M458-L504 HydrophobicContact SD-CB 4.3Å; M458-L504 HydrophobicContact SD-CD1 4.03Å; F461-L504 HydrophobicContact CE1-CD1 4.14Å; V462-L504 HydrophobicContact CG2-CD1 3.78Å; A486-L504 HydrophobicContact CB-CD2 4.29Å; C490-L504 HydrophobicContact CB-CD2 3.79Å; L500-L504 PolarHBondContact O-N 3.45Å; T501-L504 PolarHBondContact O-N 3.26Å; L504-L508 HydrophobicContact CD1-CD1 3.68Å; L504-L508 HydrophobicContact CD1-CG 4.21Å; L504-L508 HydrophobicContact CG-CD1 3.92Å; L504-L508 WeakPolarHBondContact O-CB 3.44Å; L504-L508 VanDerWaalsContact O-CG 3.29Å; L504-L508 WeakPolarHBondContact O-CG 3.27Å; L504-L508 PolarHBondContact O-N 3.3Å
505	Q	88.2	Confident	87	Confident	45 Å²	45	54.2 Å²	54.2	21%	0.21	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-53.4	174.6	-72.4	173.5	-3.8	0	0	111.3	T501 T503 L507 L508 V509 F596	T501-Q505 WeakPolarHBondContact O-CB 3.36Å; T501-Q505 VanDerWaalsContact O-CG 3.25Å; T501-Q505 WeakPolarHBondContact O-CG 3.43Å; T501-Q505 PolarHBondContact O-N 3.06Å; T503-Q505 VanDerWaalsContact C-N 3.34Å; T503-Q505 PolarHBondContact O-N 3.08Å; Q505-L507 VanDerWaalsContact C-N 3.25Å; Q505-L507 PolarHBondContact O-N 3.35Å; Q505-L508 PolarHBondContact O-N 3.48Å; Q505-L508 VanDerWaalsContact O-N 3.08Å; Q505-V509 WeakPolarHBondContact O-CG2 3.45Å; Q505-V509 PolarHBondContact O-N 3.05Å; Q505-F596 HydrophobicContact CG-CD1 3.73Å; Q505-F596 HydrophobicContact CG-CE1 3.62Å; Q505-F596 HydrophobicContact CG-CG 4.28Å; Q505-F596 HydrophobicContact CG-CZ 4.07Å
506	S	89.7	Confident	87.5	Confident	86 Å²	86	46.1 Å²	46.1	60%	0.601	26%	0.261	S	S	*	.	H	α-helix	trans	-57.3	-36.9	-176.8	-173.6	0	0	0	0	113.4	F502 T503	F502-S506 WeakPolarHBondContact O-CB 3.4Å; F502-S506 PolarHBondContact O-N 3.49Å; T503-S506 PolarHBondContact O-N 3.16Å
507	L	89.6	Confident	88.2	Confident	53 Å²	53	47.3 Å²	47.3	28%	0.277	27%	0.265	S	S	.	.	H	α-helix	trans	-72.7	-44.1	176.3	-67.1	167.2	0	0	0	111.4	M458 T459 V462 T503 Q505 V509	M458-L507 HydrophobicContact CG-CD1 4.04Å; T459-L507 HydrophobicContact CG2-CD2 4.41Å; V462-L507 HydrophobicContact CB-CB 4.24Å; V462-L507 HydrophobicContact CB-CD1 4.29Å; V462-L507 HydrophobicContact CG1-CB 3.92Å; V462-L507 HydrophobicContact CG2-CB 4.07Å; V462-L507 HydrophobicContact CG2-CD1 3.92Å; T503-L507 HydrophobicContact CG2-CD1 3.92Å; T503-L507 VanDerWaalsContact O-CG 3.29Å; T503-L507 WeakPolarHBondContact O-CG 3.21Å; T503-L507 PolarHBondContact O-N 3.17Å; Q505-L507 VanDerWaalsContact C-N 3.25Å; Q505-L507 PolarHBondContact O-N 3.35Å; L507-V509 PolarHBondContact O-N 3.48Å
508	L	90.6	Very high	88.6	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-72.2	-22	-178.9	-70.8	173.8	0	0	0	114.6	V462 F465 F470 V483 L504 Q505 K510 D511 V512	V462-L508 HydrophobicContact CG1-CD2 3.85Å; V462-L508 HydrophobicContact CG1-CG 4.32Å; F465-L508 HydrophobicContact CD1-CD2 3.85Å; F465-L508 HydrophobicContact CE1-CD2 3.86Å; F470-L508 HydrophobicContact CE2-CD2 4.06Å; V483-L508 HydrophobicContact CG1-CD1 4.26Å; V483-L508 HydrophobicContact CG2-CD1 4.42Å; L504-L508 HydrophobicContact CD1-CD1 3.68Å; L504-L508 HydrophobicContact CD1-CG 4.21Å; L504-L508 HydrophobicContact CG-CD1 3.92Å; L504-L508 WeakPolarHBondContact O-CB 3.44Å; L504-L508 VanDerWaalsContact O-CG 3.29Å; L504-L508 WeakPolarHBondContact O-CG 3.27Å; L504-L508 PolarHBondContact O-N 3.3Å; Q505-L508 PolarHBondContact O-N 3.48Å; Q505-L508 VanDerWaalsContact O-N 3.08Å; L508-K510 PolarHBondContact O-N 3.28Å; L508-K510 VanDerWaalsContact O-N 3.13Å; L508-D511 PolarHBondContact O-N 2.99Å; L508-D511 VanDerWaalsContact O-N 3.09Å; L508-V512 HydrophobicContact CB-CG2 4.25Å; L508-V512 WeakPolarHBondContact O-CB 3.33Å; L508-V512 WeakPolarHBondContact O-CG2 3.42Å; L508-V512 PolarHBondContact O-N 3.46Å
509	V	90.1	Very high	88.8	Confident	31 Å²	31	49 Å²	49	19%	0.188	26%	0.259	C	S	.	.	H	α-helix	trans	-50.6	-41.1	-177.8	161.7	0	0	0	0	112.4	Q505 L507 K513 E598 L599	Q505-V509 WeakPolarHBondContact O-CG2 3.45Å; Q505-V509 PolarHBondContact O-N 3.05Å; L507-V509 PolarHBondContact O-N 3.48Å; V509-K513 WeakPolarHBondContact O-CB 3.49Å; V509-K513 PolarHBondContact O-N 3.31Å; V509-E598 HydrophobicContact CG1-CB 4.32Å; V509-E598 HydrophobicContact CG2-CB 4.12Å; V509-E598 HydrophobicContact CG2-CG 4.5Å; V509-L599 HydrophobicContact CG1-CD2 4.18Å
510	K	89.8	Confident	89	Confident	160 Å²	160	46.4 Å²	46.4	70%	0.696	24%	0.244	S	C	*	.	H	α-helix	trans	-63.8	-47.4	-179.3	-177.8	-167.4	168.4	-153.9	0	111.7	L508 A514	L508-K510 PolarHBondContact O-N 3.28Å; L508-K510 VanDerWaalsContact O-N 3.13Å; K510-A514 PolarHBondContact O-N 2.96Å
511	D	88.5	Confident	89.2	Confident	36 Å²	36	50 Å²	50	19%	0.193	26%	0.263	C	S	.	.	H	α-helix	trans	-79.4	-38.3	-171.7	-53.8	-29.5	0	0	0	110.9	S466 F470 L508 K513 A514 S515	S466-D511 VanDerWaalsContact CB-OD2 3.22Å; S466-D511 WeakPolarHBondContact CB-OD2 3.3Å; S466-D511 PolarHBondContact OG-OD2 3.28Å; F470-D511 HydrophobicContact CD2-CB 3.44Å; F470-D511 VanDerWaalsContact CD2-CB 3.44Å; F470-D511 HydrophobicContact CE2-CB 3.64Å; F470-D511 HydrophobicContact CG-CB 4.02Å; F470-D511 HydrophobicContact CZ-CB 4.34Å; L508-D511 PolarHBondContact O-N 2.99Å; L508-D511 VanDerWaalsContact O-N 3.09Å; D511-K513 PolarHBondContact O-N 3.38Å; D511-A514 PolarHBondContact O-N 2.97Å; D511-S515 WeakPolarHBondContact O-CB 3.47Å; D511-S515 PolarHBondContact O-N 3.48Å
512	V	89.5	Confident	89.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-41.7	170.8	178.2	0	0	0	0	110.8	F470 L508 A514 S515 L516 L594 L599	F470-V512 HydrophobicContact CE1-CG2 4.3Å; F470-V512 HydrophobicContact CZ-CG2 3.75Å; L508-V512 HydrophobicContact CB-CG2 4.25Å; L508-V512 WeakPolarHBondContact O-CB 3.33Å; L508-V512 WeakPolarHBondContact O-CG2 3.42Å; L508-V512 PolarHBondContact O-N 3.46Å; V512-A514 PolarHBondContact O-N 2.91Å; V512-S515 PolarHBondContact O-N 3.32Å; V512-L516 HydrophobicContact CG1-CD1 4Å; V512-L516 HydrophobicContact CG1-CG 4.3Å; V512-L516 WeakPolarHBondContact O-CB 3.38Å; V512-L516 WeakPolarHBondContact O-CG 3.39Å; V512-L516 PolarHBondContact O-N 2.95Å; V512-L594 HydrophobicContact CG1-CB 3.97Å; V512-L594 HydrophobicContact CG1-CD1 4.32Å; V512-L594 HydrophobicContact CG1-CD2 4.23Å; V512-L594 HydrophobicContact CG1-CG 4.42Å; V512-L594 HydrophobicContact CG2-CD2 4.3Å; V512-L599 HydrophobicContact CB-CD1 4.08Å; V512-L599 HydrophobicContact CG1-CD1 3.45Å; V512-L599 VanDerWaalsContact CG1-CD1 3.45Å
513	K	90.3	Very high	89.4	Confident	88 Å²	88	48 Å²	48	38%	0.383	26%	0.257	S	S	.	.	H	α-helix	trans	-58.8	-47	173.4	172.9	170.3	-174.4	173.8	0	111.7	V509 D511 L516 Q517 L599 V602	V509-K513 WeakPolarHBondContact O-CB 3.49Å; V509-K513 PolarHBondContact O-N 3.31Å; D511-K513 PolarHBondContact O-N 3.38Å; K513-L516 PolarHBondContact O-N 3.29Å; K513-Q517 WeakPolarHBondContact O-CB 3.41Å; K513-Q517 WeakPolarHBondContact O-CG 3.44Å; K513-Q517 PolarHBondContact O-N 2.89Å; K513-L599 HydrophobicContact CB-CD2 3.94Å; K513-V602 HydrophobicContact CD-CG2 3.91Å; K513-V602 HydrophobicContact CG-CG1 4.07Å; K513-V602 HydrophobicContact CG-CG2 4.16Å
514	A	89.1	Confident	89.6	Confident	54 Å²	54	48.3 Å²	48.3	45%	0.446	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-41	178.3	0	0	0	0	0	112	K510 D511 V512 Q517 S518	K510-A514 PolarHBondContact O-N 2.96Å; D511-A514 PolarHBondContact O-N 2.97Å; V512-A514 PolarHBondContact O-N 2.91Å; A514-Q517 PolarHBondContact O-N 2.73Å; A514-S518 WeakPolarHBondContact O-CB 3.29Å; A514-S518 PolarHBondContact O-N 3.41Å
515	S	88.1	Confident	89.6	Confident	25 Å²	25	53.1 Å²	53.1	18%	0.175	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-47.6	176.3	-173.3	0	0	0	0	112.1	D511 V512 Q517 S518 Y519	D511-S515 WeakPolarHBondContact O-CB 3.47Å; D511-S515 PolarHBondContact O-N 3.48Å; V512-S515 PolarHBondContact O-N 3.32Å; S515-Q517 PolarHBondContact O-N 3.2Å; S515-S518 PolarHBondContact O-N 2.81Å; S515-Y519 WeakPolarHBondContact O-CB 3.26Å; S515-Y519 PolarHBondContact O-N 3.42Å
516	L	89.1	Confident	89.6	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-42.8	176.1	-72.6	172.3	0	0	0	112.1	L476 V512 K513 K520 F587 L599	L476-L516 HydrophobicContact CD1-CD2 4.09Å; L476-L516 HydrophobicContact CD2-CD2 4.07Å; V512-L516 HydrophobicContact CG1-CD1 4Å; V512-L516 HydrophobicContact CG1-CG 4.3Å; V512-L516 WeakPolarHBondContact O-CB 3.38Å; V512-L516 WeakPolarHBondContact O-CG 3.39Å; V512-L516 PolarHBondContact O-N 2.95Å; K513-L516 PolarHBondContact O-N 3.29Å; L516-K520 WeakPolarHBondContact O-CB 3.37Å; L516-K520 PolarHBondContact O-N 3.34Å; L516-F587 HydrophobicContact CD2-CE2 3.88Å; L516-F587 HydrophobicContact CD2-CZ 4.28Å; L516-L599 HydrophobicContact CD1-CD1 4.45Å
517	Q	90.2	Very high	89.6	Confident	83 Å²	83	48.4 Å²	48.4	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-65.2	-47	177.2	-73.3	-179.5	-39.4	0	0	112	K513 A514 S515 Y519 K520 D521 V602	K513-Q517 WeakPolarHBondContact O-CB 3.41Å; K513-Q517 WeakPolarHBondContact O-CG 3.44Å; K513-Q517 PolarHBondContact O-N 2.89Å; A514-Q517 PolarHBondContact O-N 2.73Å; S515-Q517 PolarHBondContact O-N 3.2Å; Q517-Y519 PolarHBondContact O-N 2.93Å; Q517-K520 WeakPolarHBondContact O-CB 3.15Å; Q517-K520 PolarHBondContact O-N 3.38Å; Q517-D521 PolarHBondContact O-N 3.5Å; Q517-V602 HydrophobicContact CG-CG1 4.37Å
518	S	88.8	Confident	89.6	Confident	66 Å²	66	50.7 Å²	50.7	46%	0.462	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-43.3	176.4	-177.5	0	0	0	0	112.2	A514 S515 D521 I522	A514-S518 WeakPolarHBondContact O-CB 3.29Å; A514-S518 PolarHBondContact O-N 3.41Å; S515-S518 PolarHBondContact O-N 2.81Å; S518-D521 PolarHBondContact O-N 3.16Å; S518-I522 VanDerWaalsContact O-CG1 3.3Å; S518-I522 WeakPolarHBondContact O-CG1 3.31Å; S518-I522 PolarHBondContact O-N 3.3Å
519	Y	88.1	Confident	89.6	Confident	62 Å²	62	56 Å²	56	24%	0.243	29%	0.286	C	S	.	.	H	α-helix	trans	-71.4	-35.9	179.4	-163.8	-98.5	0	0	0	112.5	L476 S515 Q517 I522 I523 F587	L476-Y519 HydrophobicContact CB-CD1 4.2Å; L476-Y519 HydrophobicContact CB-CD2 3.97Å; L476-Y519 HydrophobicContact CB-CE1 4.27Å; L476-Y519 HydrophobicContact CB-CE2 4.11Å; L476-Y519 HydrophobicContact CB-CG 4.02Å; L476-Y519 HydrophobicContact CD2-CD1 3.65Å; L476-Y519 HydrophobicContact CD2-CE1 4.03Å; L476-Y519 HydrophobicContact CD2-CG 4.06Å; S515-Y519 WeakPolarHBondContact O-CB 3.26Å; S515-Y519 PolarHBondContact O-N 3.42Å; Q517-Y519 PolarHBondContact O-N 2.93Å; Y519-I522 PolarHBondContact O-N 3.03Å; Y519-I523 HydrophobicContact CD1-CD1 3.65Å; Y519-I523 HydrophobicContact CD1-CG1 4.25Å; Y519-I523 HydrophobicContact CE1-CD1 3.55Å; Y519-I523 HydrophobicContact CE1-CG1 4.12Å; Y519-I523 WeakPolarHBondContact O-CG1 3.47Å; Y519-I523 PolarHBondContact O-N 3.49Å; Y519-F587 AromaticContact CD1-CD2 3.52Å; Y519-F587 HydrophobicContact CD1-CD2 3.52Å; Y519-F587 AromaticContact CD1-CE2 3.99Å; Y519-F587 HydrophobicContact CD1-CE2 3.99Å; Y519-F587 HydrophobicContact CD1-CG 4.46Å; Y519-F587 HydrophobicContact CE1-CB 4.46Å; Y519-F587 AromaticContact CE1-CD2 3.99Å; Y519-F587 HydrophobicContact CE1-CD2 3.99Å
520	K	90.6	Very high	89.5	Confident	21 Å²	21	56.8 Å²	56.8	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-47	169.4	177.7	-138.6	66.3	164.6	0	111	L516 Q517 I522 I523 I524 F587 E609 I610	L516-K520 WeakPolarHBondContact O-CB 3.37Å; L516-K520 PolarHBondContact O-N 3.34Å; Q517-K520 WeakPolarHBondContact O-CB 3.15Å; Q517-K520 PolarHBondContact O-N 3.38Å; K520-I522 PolarHBondContact O-N 3.2Å; K520-I523 PolarHBondContact O-N 2.84Å; K520-I524 HydrophobicContact CD-CD1 4.15Å; K520-I524 HydrophobicContact CG-CD1 4.01Å; K520-I524 WeakPolarHBondContact O-CG1 3.28Å; K520-I524 PolarHBondContact O-N 2.93Å; K520-F587 HydrophobicContact CB-CZ 4.21Å; K520-E609 HydrophobicContact CD-CB 4.38Å; K520-E609 WeakPolarHBondContact CD-OE2 3.49Å; K520-E609 WeakPolarHBondContact CE-OE2 3.2Å; K520-E609 IonicContact NZ-OE2 3.64Å; K520-E609 PolarHBondContact NZ-OE2 3.12Å; K520-I610 HydrophobicContact CB-CD1 4.2Å; K520-I610 HydrophobicContact CG-CD1 3.77Å; K520-I610 HydrophobicContact CG-CG1 3.76Å
521	D	91	Very high	89.3	Confident	81 Å²	81	50.2 Å²	50.2	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-40.4	177.6	-66.3	-27.1	0	0	0	111.7	Q517 S518 I523 I524 E525	Q517-D521 PolarHBondContact O-N 3.5Å; S518-D521 PolarHBondContact O-N 3.16Å; D521-I523 PolarHBondContact O-N 3.32Å; D521-I524 PolarHBondContact O-N 3.28Å; D521-E525 PolarHBondContact O-N 3.39Å
522	I	89.8	Confident	89.1	Confident	99 Å²	99	53.1 Å²	53.1	51%	0.508	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-42.9	173.3	-69.4	164.1	0	0	0	111.8	S518 Y519 K520 A526	S518-I522 VanDerWaalsContact O-CG1 3.3Å; S518-I522 WeakPolarHBondContact O-CG1 3.31Å; S518-I522 PolarHBondContact O-N 3.3Å; Y519-I522 PolarHBondContact O-N 3.03Å; K520-I522 PolarHBondContact O-N 3.2Å; I522-A526 VanDerWaalsContact O-CB 3.23Å; I522-A526 WeakPolarHBondContact O-CB 3.27Å; I522-A526 PolarHBondContact O-N 3.47Å
523	I	89.4	Confident	89	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-42.9	175.4	-70.7	167.3	0	0	0	111	Y519 K520 D521 A526 T527 F587 I610	Y519-I523 HydrophobicContact CD1-CD1 3.65Å; Y519-I523 HydrophobicContact CD1-CG1 4.25Å; Y519-I523 HydrophobicContact CE1-CD1 3.55Å; Y519-I523 HydrophobicContact CE1-CG1 4.12Å; Y519-I523 WeakPolarHBondContact O-CG1 3.47Å; Y519-I523 PolarHBondContact O-N 3.49Å; K520-I523 PolarHBondContact O-N 2.84Å; D521-I523 PolarHBondContact O-N 3.32Å; I523-A526 PolarHBondContact O-N 2.9Å; I523-T527 VanDerWaalsContact O-CB 3.24Å; I523-T527 WeakPolarHBondContact O-CB 3.36Å; I523-T527 PolarHBondContact O-N 3.02Å; I523-T527 PolarHBondContact O-OG1 3.34Å; I523-F587 HydrophobicContact CD1-CB 3.59Å; I523-F587 HydrophobicContact CD1-CD1 4.45Å; I523-F587 HydrophobicContact CD1-CD2 4.02Å; I523-F587 HydrophobicContact CD1-CG 3.77Å; I523-I610 HydrophobicContact CB-CD1 4.43Å; I523-I610 HydrophobicContact CD1-CD1 4.17Å; I523-I610 HydrophobicContact CG2-CD1 4.24Å; I523-I610 HydrophobicContact CG2-CG1 4.19Å; I523-I610 HydrophobicContact CG2-CG2 3.82Å
524	I	90.9	Very high	88.7	Confident	13 Å²	13	56.6 Å²	56.6	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-48.6	179.8	-74.8	170.5	0	0	0	110.5	K520 D521 T527 K528 E609 I610 V613	K520-I524 HydrophobicContact CD-CD1 4.15Å; K520-I524 HydrophobicContact CG-CD1 4.01Å; K520-I524 WeakPolarHBondContact O-CG1 3.28Å; K520-I524 PolarHBondContact O-N 2.93Å; D521-I524 PolarHBondContact O-N 3.28Å; I524-T527 PolarHBondContact O-N 2.88Å; I524-K528 HydrophobicContact CG2-CD 4.15Å; I524-K528 VanDerWaalsContact CG2-CE 3.49Å; I524-K528 WeakPolarHBondContact O-CG 3.34Å; I524-K528 PolarHBondContact O-N 3.38Å; I524-E609 HydrophobicContact CD1-CB 4.27Å; I524-I610 HydrophobicContact CD1-CG1 4.41Å; I524-I610 HydrophobicContact CG1-CG1 4.09Å; I524-V613 HydrophobicContact CG1-CG2 4.24Å; I524-V613 HydrophobicContact CG2-CG2 4.06Å
525	E	90.3	Very high	88.3	Confident	108 Å²	108	59.4 Å²	59.4	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-67.4	-40.9	178.2	-66.1	-51.7	126.1	0	0	112.4	D521 T527 K528 H529	D521-E525 PolarHBondContact O-N 3.39Å; E525-T527 VanDerWaalsContact C-N 3.26Å; E525-T527 PolarHBondContact O-N 3.13Å; E525-K528 PolarHBondContact O-N 3.47Å; E525-K528 WeakPolarHBondContact OE1-CD 3.35Å; E525-K528 IonicContact OE1-NZ 2.84Å; E525-K528 PolarHBondContact OE1-NZ 2.84Å; E525-H529 PolarHBondContact O-N 3.23Å
526	A	89.1	Confident	88.2	Confident	29 Å²	29	59.1 Å²	59.1	24%	0.24	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-33.4	173.9	0	0	0	0	0	112.6	I522 I523 R530	I522-A526 VanDerWaalsContact O-CB 3.23Å; I522-A526 WeakPolarHBondContact O-CB 3.27Å; I522-A526 PolarHBondContact O-N 3.47Å; I523-A526 PolarHBondContact O-N 2.9Å; A526-R530 WeakPolarHBondContact O-CG 3.37Å; A526-R530 PolarHBondContact O-N 2.92Å
527	T	89.4	Confident	87.9	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-71.9	-47.8	175.3	-59	0	0	0	0	110.5	I523 I524 E525 H529 R530 N531 F580 V613	I523-T527 VanDerWaalsContact O-CB 3.24Å; I523-T527 WeakPolarHBondContact O-CB 3.36Å; I523-T527 PolarHBondContact O-N 3.02Å; I523-T527 PolarHBondContact O-OG1 3.34Å; I524-T527 PolarHBondContact O-N 2.88Å; E525-T527 VanDerWaalsContact C-N 3.26Å; E525-T527 PolarHBondContact O-N 3.13Å; T527-H529 VanDerWaalsContact C-N 3.32Å; T527-H529 PolarHBondContact O-N 3.37Å; T527-R530 PolarHBondContact O-N 3.22Å; T527-N531 WeakPolarHBondContact O-CB 3.46Å; T527-N531 PolarHBondContact O-N 3.37Å; T527-N531 PolarHBondContact O-OD1 3.13Å; T527-F580 HydrophobicContact CG2-CD2 3.84Å; T527-F580 HydrophobicContact CG2-CE2 4.47Å; T527-V613 HydrophobicContact CG2-CG1 4.21Å
528	K	89.6	Confident	87.6	Confident	100 Å²	100	70 Å²	70	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-56.1	-43.1	174.9	-73.2	170.6	-176.7	169.9	0	112.6	I524 E525 N531 S532 V613	I524-K528 HydrophobicContact CG2-CD 4.15Å; I524-K528 VanDerWaalsContact CG2-CE 3.49Å; I524-K528 WeakPolarHBondContact O-CG 3.34Å; I524-K528 PolarHBondContact O-N 3.38Å; E525-K528 PolarHBondContact O-N 3.47Å; E525-K528 WeakPolarHBondContact OE1-CD 3.35Å; E525-K528 IonicContact OE1-NZ 2.84Å; E525-K528 PolarHBondContact OE1-NZ 2.84Å; K528-N531 PolarHBondContact O-N 3.43Å; K528-S532 PolarHBondContact O-N 3.07Å; K528-S532 VanDerWaalsContact O-N 3.08Å; K528-V613 HydrophobicContact CG-CG1 4.19Å
529	H	89.1	Confident	87.2	Confident	113 Å²	113	68 Å²	68	52%	0.523	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-52.3	176.9	-172.1	-63.9	0	0	0	111.2	E525 T527 N531 S532 E533	E525-H529 PolarHBondContact O-N 3.23Å; T527-H529 VanDerWaalsContact C-N 3.32Å; T527-H529 PolarHBondContact O-N 3.37Å; H529-N531 VanDerWaalsContact C-N 3.3Å; H529-N531 PolarHBondContact O-N 2.99Å; H529-S532 WeakPolarHBondContact O-CB 3.38Å; H529-S532 PolarHBondContact O-N 2.95Å; H529-S532 VanDerWaalsContact O-N 3.07Å; H529-S532 PolarHBondContact O-OG 3.05Å; H529-E533 IonicContact CE1-OE1 2.69Å; H529-E533 PolarHBondContact CE1-OE1 3.04Å; H529-E533 IonicContact CE1-OE2 3.19Å; H529-E533 IonicContact ND1-OE1 3.14Å; H529-E533 IonicContact ND1-OE2 2.79Å
530	R	87.8	Confident	86.9	Confident	48 Å²	48	67.8 Å²	67.8	18%	0.181	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-38.6	178	-70	-172.5	-146.9	106.9	1.5	112.5	A526 T527 S532 E533 E534 T576 Q583	A526-R530 WeakPolarHBondContact O-CG 3.37Å; A526-R530 PolarHBondContact O-N 2.92Å; T527-R530 PolarHBondContact O-N 3.22Å; R530-S532 PolarHBondContact O-N 2.86Å; R530-E533 PolarHBondContact O-N 3.39Å; R530-E534 PolarHBondContact O-N 3.14Å; R530-T576 HydrophobicContact CB-CG2 3.94Å; R530-T576 WeakPolarHBondContact O-CG2 3.31Å; R530-Q583 VanDerWaalsContact NH2-NE2 3.12Å
531	N	86.6	Confident	86.4	Confident	23 Å²	23	68.9 Å²	68.9	12%	0.123	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-26.1	176.4	-69.7	0.5	0	0	0	112.7	T527 K528 H529 E533 H617	T527-N531 WeakPolarHBondContact O-CB 3.46Å; T527-N531 PolarHBondContact O-N 3.37Å; T527-N531 PolarHBondContact O-OD1 3.13Å; K528-N531 PolarHBondContact O-N 3.43Å; H529-N531 VanDerWaalsContact C-N 3.3Å; H529-N531 PolarHBondContact O-N 2.99Å; N531-E533 VanDerWaalsContact C-N 3.33Å; N531-H617 HydrophobicContact CB-CB 4.42Å; N531-H617 VanDerWaalsContact CG-CG 3.49Å; N531-H617 VanDerWaalsContact ND2-CB 3.31Å; N531-H617 WeakPolarHBondContact ND2-CB 3.34Å; N531-H617 PolarHBondContact O-CE1 3.46Å; N531-H617 PolarHBondContact OD1-CD2 3.02Å
532	S	85.3	Confident	85.7	Confident	96 Å²	96	72.1 Å²	72.1	67%	0.671	34%	0.344	S	S	*	.	H	α-helix	trans	-77.2	-17.6	174	75	0	0	0	0	114.1	K528 H529 R530	K528-S532 PolarHBondContact O-N 3.07Å; K528-S532 VanDerWaalsContact O-N 3.08Å; H529-S532 WeakPolarHBondContact O-CB 3.38Å; H529-S532 PolarHBondContact O-N 2.95Å; H529-S532 VanDerWaalsContact O-N 3.07Å; H529-S532 PolarHBondContact O-OG 3.05Å; R530-S532 PolarHBondContact O-N 2.86Å
533	E	85.8	Confident	85.4	Confident	130 Å²	130	70.3 Å²	70.3	61%	0.607	34%	0.338	S	S	*	.	S	Bend	trans	-102.8	2.8	177.9	-61.3	175.9	144.4	0	0	112.4	H529 R530 N531	H529-E533 IonicContact CE1-OE1 2.69Å; H529-E533 PolarHBondContact CE1-OE1 3.04Å; H529-E533 IonicContact CE1-OE2 3.19Å; H529-E533 IonicContact ND1-OE1 3.14Å; H529-E533 IonicContact ND1-OE2 2.79Å; R530-E533 PolarHBondContact O-N 3.39Å; N531-E533 VanDerWaalsContact C-N 3.33Å
534	E	84.6	Confident	84.9	Confident	31 Å²	31	74.3 Å²	74.3	15%	0.145	36%	0.364	C	S	.	.			trans	-72.5	133.3	-176.8	-177.7	57.5	-87.6	0	0	112	R530 W536 S574 T576	R530-E534 PolarHBondContact O-N 3.14Å; E534-W536 HydrophobicContact CG-CD2 3.74Å; E534-W536 HydrophobicContact CG-CE3 4.25Å; E534-W536 HydrophobicContact CG-CG 4.04Å; E534-W536 HydrophobicContact CG-CH2 4.49Å; E534-W536 HydrophobicContact CG-CZ2 4.04Å; E534-W536 PolarHBondContact OE1-N 3.03Å; E534-S574 WeakPolarHBondContact OE2-CB 3.41Å; E534-S574 PolarHBondContact OE2-OG 2.77Å; E534-T576 HydrophobicContact CB-CG2 4.02Å; E534-T576 HydrophobicContact CG-CG2 4.29Å; E534-T576 WeakPolarHBondContact OE2-CB 3.4Å; E534-T576 WeakPolarHBondContact OE2-CG2 3.27Å; E534-T576 PolarHBondContact OE2-OG1 3.49Å
535	M	81.7	Confident	84.4	Confident	113 Å²	113	81 Å²	81	56%	0.557	40%	0.395	S	S	*	.			trans	-118.8	1.8	-177.5	-64.5	-63.9	-66.4	0	0	112.7	R537	M535-R537 HydrophobicContact CB-CG 4.26Å; M535-R537 WeakPolarHBondContact O-CG 3.15Å
536	W	84.4	Confident	83.8	Confident	20 Å²	20	77.5 Å²	77.5	8%	0.076	39%	0.385	C	S	.	.			trans	52.4	57.7	-179.7	-66	110.7	0	0	0	113.2	E534 V577 H617 V618 S621 F633 I634 N637	E534-W536 HydrophobicContact CG-CD2 3.74Å; E534-W536 HydrophobicContact CG-CE3 4.25Å; E534-W536 HydrophobicContact CG-CG 4.04Å; E534-W536 HydrophobicContact CG-CH2 4.49Å; E534-W536 HydrophobicContact CG-CZ2 4.04Å; E534-W536 PolarHBondContact OE1-N 3.03Å; W536-V577 HydrophobicContact CH2-CG2 4.4Å; W536-V577 HydrophobicContact CZ3-CG2 4.22Å; W536-H617 AromaticContact CZ2-CD2 3.89Å; W536-H617 AromaticContact CZ2-NE2 3.58Å; W536-V618 HydrophobicContact CH2-CG2 3.95Å; W536-S621 VanDerWaalsContact NE1-CB 3.35Å; W536-S621 PolarHBondContact NE1-OG 3.38Å; W536-S621 VanDerWaalsContact NE1-OG 3.15Å; W536-F633 VanDerWaalsContact C-CE1 3.48Å; W536-F633 HydrophobicContact CB-CD1 4.27Å; W536-F633 VanDerWaalsContact O-CD1 3.3Å; W536-F633 WeakPolarHBondContact O-CD1 3.29Å; W536-I634 HydrophobicContact CB-CG1 4.1Å; W536-I634 HydrophobicContact CD2-CD1 4.3Å; W536-I634 HydrophobicContact CD2-CG1 3.56Å; W536-I634 HydrophobicContact CE3-CG1 3.86Å; W536-I634 HydrophobicContact CG-CD1 4.03Å; W536-I634 HydrophobicContact CG-CG1 3.65Å; W536-I634 HydrophobicContact CH2-CG2 4.39Å; W536-I634 HydrophobicContact CZ2-CG2 4.37Å; W536-I634 HydrophobicContact CZ3-CG2 4.47Å; W536-N637 HydrophobicContact CZ3-CB 3.93Å
537	R	83.3	Confident	83.4	Confident	169 Å²	169	76.7 Å²	76.7	64%	0.638	38%	0.376	S	S	*	.			trans	-121.4	151	179.8	-58.7	-178.7	-174.7	-179.8	-0.4	111.7	M535 M539	M535-R537 HydrophobicContact CB-CG 4.26Å; M535-R537 WeakPolarHBondContact O-CG 3.15Å; R537-M539 PolarHBondContact O-N 2.99Å
538	R	83.3	Confident	83.1	Confident	144 Å²	144	79.2 Å²	79.2	54%	0.543	40%	0.397	S	S	.	.			trans	-60.2	133.3	168.2	-63	-176.9	-174.1	-179.9	4	109.4	W570 N572 F633	R538-W570 HydrophobicContact CB-CE3 4.01Å; R538-W570 HydrophobicContact CB-CZ3 4.27Å; R538-N572 WeakPolarHBondContact CD-OD1 3.24Å; R538-N572 PolarHBondContact NE-OD1 3.44Å; R538-F633 HydrophobicContact CG-CD2 4.33Å; R538-F633 HydrophobicContact CG-CE2 3.65Å; R538-F633 HydrophobicContact CG-CZ 4.07Å
539	M	81.8	Confident	82.8	Confident	23 Å²	23	81 Å²	81	11%	0.113	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.4	176.9	65	-169.5	-53.3	0	0	111.3	R537 L541 V571 L573 Y575 V578	R537-M539 PolarHBondContact O-N 2.99Å; M539-L541 HydrophobicContact CE-CD2 3.99Å; M539-V571 HydrophobicContact CG-CB 3.59Å; M539-V571 HydrophobicContact CG-CG1 4.35Å; M539-V571 HydrophobicContact CG-CG2 4.13Å; M539-V571 PolarHBondContact N-O 3.16Å; M539-V571 PolarHBondContact O-N 3.24Å; M539-V571 HydrophobicContact SD-CB 4.05Å; M539-V571 HydrophobicContact SD-CG1 4.27Å; M539-V571 HydrophobicContact SD-CG2 4.41Å; M539-L573 PolarHBondContact N-O 3.1Å; M539-Y575 HydrophobicContact CE-CD2 3.89Å; M539-V578 HydrophobicContact CE-CB 4.49Å; M539-V578 HydrophobicContact CE-CG1 4.37Å; M539-V578 HydrophobicContact SD-CB 4.04Å; M539-V578 HydrophobicContact SD-CG1 4.32Å; M539-V578 HydrophobicContact SD-CG2 3.74Å
540	N	81.9	Confident	82.5	Confident	58 Å²	58	75.9 Å²	75.9	31%	0.31	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.3	172.6	-176.3	-10.2	0	0	0	108.3	M542 C569 W570	N540-M542 VanDerWaalsContact C-N 3.35Å; N540-M542 PolarHBondContact OD1-N 3.26Å; N540-C569 WeakPolarHBondContact OD1-CB 3.42Å; N540-W570 HydrophobicContact CB-CD2 4.06Å; N540-W570 HydrophobicContact CB-CE3 3.82Å; N540-W570 HydrophobicContact CB-CH2 3.89Å; N540-W570 HydrophobicContact CB-CZ2 4.1Å; N540-W570 HydrophobicContact CB-CZ3 3.75Å
541	L	78.8	Confident	82.2	Confident	43 Å²	43	76.7 Å²	76.7	23%	0.225	39%	0.387	C	S	.	.			trans	-89.8	1.6	-178.8	-66.9	173	0	0	0	113.9	M539 T543 A546 L547 L550 C569 V571	M539-L541 HydrophobicContact CE-CD2 3.99Å; L541-T543 PolarHBondContact O-N 2.87Å; L541-A546 HydrophobicContact CB-CB 4.06Å; L541-L547 HydrophobicContact CD1-CB 3.96Å; L541-L547 HydrophobicContact CD1-CD1 3.78Å; L541-L550 HydrophobicContact CD1-CB 4.3Å; L541-L550 HydrophobicContact CD1-CD2 3.74Å; L541-C569 PolarHBondContact N-O 3.19Å; L541-C569 VanDerWaalsContact N-O 3.14Å; L541-V571 HydrophobicContact CD1-CG2 4.01Å
542	M	77.8	Confident	82	Confident	149 Å²	149	80.3 Å²	80.3	73%	0.734	40%	0.403	S	S	*	.	S	Bend	trans	63.3	-25.9	179.1	-51.4	-62.5	-179.5	0	0	116.3	N540 C569	N540-M542 VanDerWaalsContact C-N 3.35Å; N540-M542 PolarHBondContact OD1-N 3.26Å; M542-C569 VanDerWaalsContact C-SG 3.51Å
543	T	82.4	Confident	81.8	Confident	61 Å²	61	78.8 Å²	78.8	37%	0.374	39%	0.385	S	S	.	.	S	Bend	trans	-132.2	144.9	173.1	70.3	0	0	0	0	112.6	L541 E545 A546 L547 C569	L541-T543 PolarHBondContact O-N 2.87Å; T543-E545 PolarHBondContact O-N 2.96Å; T543-A546 PolarHBondContact O-N 3.32Å; T543-A546 WeakPolarHBondContact OG1-CB 3.29Å; T543-A546 PolarHBondContact OG1-N 3.02Å; T543-L547 PolarHBondContact O-N 3.34Å; T543-C569 VanDerWaalsContact CA-SG 3.57Å; T543-C569 PolarHBondContact N-SG 3.3Å
544	P	78.8	Confident	81.6	Confident	86 Å²	86	72.7 Å²	72.7	56%	0.558	36%	0.356	S	S	*	.	H	α-helix	trans	-66.2	-25.2	175.3	26.8	-34.4	0	0	0	111.9	L547 A548	P544-L547 WeakPolarHBondContact O-CB 3.49Å; P544-L547 PolarHBondContact O-N 3.49Å; P544-A548 WeakPolarHBondContact O-CB 3.07Å; P544-A548 PolarHBondContact O-N 3.26Å
545	E	80	Confident	81.6	Confident	154 Å²	154	77.4 Å²	77.4	72%	0.72	37%	0.373	S	S	*	.	H	α-helix	trans	-65.7	-41.7	174.3	-63.2	173.3	175.5	0	0	112	T543 L547 A548 K549	T543-E545 PolarHBondContact O-N 2.96Å; E545-L547 VanDerWaalsContact C-N 3.31Å; E545-L547 PolarHBondContact O-N 3Å; E545-A548 PolarHBondContact O-N 3.47Å; E545-K549 WeakPolarHBondContact O-CB 3.48Å; E545-K549 PolarHBondContact O-N 2.92Å
546	A	79.4	Confident	81.4	Confident	35 Å²	35	75.7 Å²	75.7	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-36.2	174.5	0	0	0	0	0	111.7	L541 T543 K549 L550	L541-A546 HydrophobicContact CB-CB 4.06Å; T543-A546 PolarHBondContact O-N 3.32Å; T543-A546 WeakPolarHBondContact OG1-CB 3.29Å; T543-A546 PolarHBondContact OG1-N 3.02Å; A546-K549 PolarHBondContact O-N 3.18Å; A546-L550 WeakPolarHBondContact O-CB 3.45Å; A546-L550 PolarHBondContact O-N 2.72Å
547	L	80.3	Confident	80.9	Confident	11 Å²	11	75.6 Å²	75.6	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-41.3	172.2	-176.6	64.6	0	0	0	112.1	L541 T543 P544 E545 L550 K551 T565 V571	L541-L547 HydrophobicContact CD1-CB 3.96Å; L541-L547 HydrophobicContact CD1-CD1 3.78Å; T543-L547 PolarHBondContact O-N 3.34Å; P544-L547 WeakPolarHBondContact O-CB 3.49Å; P544-L547 PolarHBondContact O-N 3.49Å; E545-L547 VanDerWaalsContact C-N 3.31Å; E545-L547 PolarHBondContact O-N 3Å; L547-L550 PolarHBondContact O-N 3.23Å; L547-K551 HydrophobicContact CG-CD 4.49Å; L547-K551 WeakPolarHBondContact O-CB 3.49Å; L547-K551 VanDerWaalsContact O-CG 3.31Å; L547-K551 WeakPolarHBondContact O-CG 3.3Å; L547-K551 PolarHBondContact O-N 2.84Å; L547-T565 HydrophobicContact CD1-CG2 3.8Å; L547-V571 HydrophobicContact CD1-CG2 3.55Å
548	A	81.9	Confident	80.4	Confident	56 Å²	56	69.1 Å²	69.1	46%	0.463	36%	0.36	S	S	.	.	H	α-helix	trans	-63.3	-44.3	174.9	0	0	0	0	0	111.7	P544 E545 K551 E552	P544-A548 WeakPolarHBondContact O-CB 3.07Å; P544-A548 PolarHBondContact O-N 3.26Å; E545-A548 PolarHBondContact O-N 3.47Å; A548-K551 WeakPolarHBondContact O-CB 3.4Å; A548-K551 PolarHBondContact O-N 3.45Å; A548-E552 PolarHBondContact O-N 3.34Å
549	K	83.6	Confident	80.2	Confident	137 Å²	137	62.4 Å²	62.4	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-61.3	-44.7	175.4	-169	-178.3	-178.1	-171.3	0	112	E545 A546 K551 E552 E553	E545-K549 WeakPolarHBondContact O-CB 3.48Å; E545-K549 PolarHBondContact O-N 2.92Å; A546-K549 PolarHBondContact O-N 3.18Å; K549-K551 VanDerWaalsContact C-N 3.34Å; K549-K551 PolarHBondContact O-N 2.95Å; K549-E552 PolarHBondContact O-N 3.13Å; K549-E552 VanDerWaalsContact O-N 3.14Å; K549-E553 WeakPolarHBondContact CE-OE1 3.41Å; K549-E553 IonicContact NZ-OE1 2.9Å; K549-E553 WeakPolarHBondContact O-CG 3.5Å; K549-E553 PolarHBondContact O-N 3.05Å
550	L	82.4	Confident	79.8	Confident	7 Å²	7	65.6 Å²	65.6	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-41	174.9	179.4	64	0	0	0	112.1	L541 A546 L547 E552 E553 M554 F561 V571 V578	L541-L550 HydrophobicContact CD1-CB 4.3Å; L541-L550 HydrophobicContact CD1-CD2 3.74Å; A546-L550 WeakPolarHBondContact O-CB 3.45Å; A546-L550 PolarHBondContact O-N 2.72Å; L547-L550 PolarHBondContact O-N 3.23Å; L550-E552 VanDerWaalsContact C-N 3.26Å; L550-E552 PolarHBondContact O-N 2.96Å; L550-E553 PolarHBondContact O-N 3.17Å; L550-M554 HydrophobicContact CD1-CE 4.02Å; L550-M554 HydrophobicContact CD1-CG 4.2Å; L550-M554 HydrophobicContact CG-CG 4.5Å; L550-M554 WeakPolarHBondContact O-CB 3.41Å; L550-M554 VanDerWaalsContact O-CG 3.31Å; L550-M554 WeakPolarHBondContact O-CG 3.43Å; L550-M554 PolarHBondContact O-N 3.11Å; L550-F561 HydrophobicContact CD2-CE1 3.67Å; L550-F561 HydrophobicContact CD2-CZ 4Å; L550-F561 HydrophobicContact CG-CE1 4.01Å; L550-F561 HydrophobicContact CG-CZ 4.44Å; L550-V571 HydrophobicContact CD2-CG2 4.18Å; L550-V578 HydrophobicContact CD1-CG1 3.97Å; L550-V578 HydrophobicContact CD2-CG1 4.25Å
551	K	81.9	Confident	79.6	Confident	65 Å²	65	63 Å²	63	28%	0.283	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-32.1	174.9	-76.6	174.4	179.2	-176.4	0	112.3	L547 A548 K549 R555 F561 T565	L547-K551 HydrophobicContact CG-CD 4.49Å; L547-K551 WeakPolarHBondContact O-CB 3.49Å; L547-K551 VanDerWaalsContact O-CG 3.31Å; L547-K551 WeakPolarHBondContact O-CG 3.3Å; L547-K551 PolarHBondContact O-N 2.84Å; A548-K551 WeakPolarHBondContact O-CB 3.4Å; A548-K551 PolarHBondContact O-N 3.45Å; K549-K551 VanDerWaalsContact C-N 3.34Å; K549-K551 PolarHBondContact O-N 2.95Å; K551-R555 WeakPolarHBondContact O-CB 3.41Å; K551-R555 PolarHBondContact O-N 2.96Å; K551-F561 HydrophobicContact CG-CD1 4.33Å; K551-T565 WeakPolarHBondContact CE-OG1 3.31Å; K551-T565 HydrophobicContact CG-CG2 4.35Å; K551-T565 PolarHBondContact NZ-OG1 3.02Å
552	E	83	Confident	79.1	Confident	99 Å²	99	67.1 Å²	67.1	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-75.2	-47.2	176.4	-155.6	60.3	-139.7	0	0	111.8	A548 K549 L550 M554 R555 S556	A548-E552 PolarHBondContact O-N 3.34Å; K549-E552 PolarHBondContact O-N 3.13Å; K549-E552 VanDerWaalsContact O-N 3.14Å; L550-E552 VanDerWaalsContact C-N 3.26Å; L550-E552 PolarHBondContact O-N 2.96Å; E552-M554 VanDerWaalsContact C-N 3.32Å; E552-M554 PolarHBondContact O-N 3.07Å; E552-R555 CarbonylContact O-C 3.6Å; E552-R555 WeakPolarHBondContact O-CA 3.38Å; E552-R555 WeakPolarHBondContact O-CB 3.31Å; E552-R555 PolarHBondContact O-N 3.24Å; E552-R555 IonicContact OE1-CZ 2.84Å; E552-R555 IonicContact OE1-NH1 3.9Å; E552-R555 PolarHBondContact OE1-NH1 3.22Å; E552-R555 IonicContact OE2-CZ 3.74Å; E552-R555 IonicContact OE2-NH1 3.67Å; E552-R555 PolarHBondContact OE2-NH1 3.17Å; E552-R555 IonicContact OE2-NH2 2.69Å; E552-R555 PolarHBondContact OE2-NH2 3.36Å; E552-S556 PolarHBondContact O-N 2.92Å
553	E	81.4	Confident	78.7	Confident	64 Å²	64	66.7 Å²	66.7	30%	0.299	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-38.2	176.7	-69.4	168.7	177.3	0	0	112.4	K549 L550 S556 C557 K582	K549-E553 WeakPolarHBondContact CE-OE1 3.41Å; K549-E553 IonicContact NZ-OE1 2.9Å; K549-E553 WeakPolarHBondContact O-CG 3.5Å; K549-E553 PolarHBondContact O-N 3.05Å; L550-E553 PolarHBondContact O-N 3.17Å; E553-S556 PolarHBondContact O-OG 3.08Å; E553-C557 PolarHBondContact O-N 3.33Å; E553-C557 PolarHBondContact O-SG 3.35Å; E553-K582 VanDerWaalsContact OE2-CE 3.26Å; E553-K582 WeakPolarHBondContact OE2-CE 3.47Å; E553-K582 IonicContact OE2-NZ 2.69Å; E553-K582 PolarHBondContact OE2-NZ 3.47Å
554	M	82.1	Confident	78.2	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-69.6	-34.1	173.1	-70.2	-66.4	-178.6	0	0	111.9	L550 E552 C557 G558 I559 F561 V578 T581 K582	L550-M554 HydrophobicContact CD1-CE 4.02Å; L550-M554 HydrophobicContact CD1-CG 4.2Å; L550-M554 HydrophobicContact CG-CG 4.5Å; L550-M554 WeakPolarHBondContact O-CB 3.41Å; L550-M554 VanDerWaalsContact O-CG 3.31Å; L550-M554 WeakPolarHBondContact O-CG 3.43Å; L550-M554 PolarHBondContact O-N 3.11Å; E552-M554 VanDerWaalsContact C-N 3.32Å; E552-M554 PolarHBondContact O-N 3.07Å; M554-C557 PolarHBondContact O-N 3.32Å; M554-G558 PolarHBondContact O-N 3.28Å; M554-I559 CarbonylContact C-O 3.58Å; M554-I559 HydrophobicContact CB-CB 4.36Å; M554-I559 HydrophobicContact CB-CG2 4.47Å; M554-I559 WeakPolarHBondContact O-CB 3.43Å; M554-I559 PolarHBondContact O-N 3.48Å; M554-I559 HydrophobicContact SD-CD1 4.2Å; M554-I559 HydrophobicContact SD-CG2 4.49Å; M554-F561 HydrophobicContact CB-CB 3.83Å; M554-F561 HydrophobicContact CB-CD2 4.21Å; M554-F561 HydrophobicContact CB-CG 4.06Å; M554-F561 HydrophobicContact CE-CE2 4.13Å; M554-F561 HydrophobicContact CG-CB 4.26Å; M554-F561 HydrophobicContact CG-CD1 4.42Å; M554-F561 HydrophobicContact CG-CD2 3.76Å; M554-F561 HydrophobicContact CG-CE2 4.14Å; M554-F561 HydrophobicContact CG-CG 3.91Å; M554-F561 HydrophobicContact SD-CD2 4.32Å; M554-F561 HydrophobicContact SD-CE2 4.45Å; M554-V578 HydrophobicContact CE-CG1 3.81Å; M554-T581 HydrophobicContact CE-CG2 4.14Å; M554-T581 HydrophobicContact SD-CG2 4.03Å; M554-K582 HydrophobicContact CE-CG 4Å
555	R	82.6	Confident	78	Confident	130 Å²	130	62.1 Å²	62.1	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-69.8	-38.9	177.1	-164.1	-173.1	-49.7	129.9	25.6	112.2	K551 E552 C557 G558	K551-R555 WeakPolarHBondContact O-CB 3.41Å; K551-R555 PolarHBondContact O-N 2.96Å; E552-R555 CarbonylContact O-C 3.6Å; E552-R555 WeakPolarHBondContact O-CA 3.38Å; E552-R555 WeakPolarHBondContact O-CB 3.31Å; E552-R555 PolarHBondContact O-N 3.24Å; E552-R555 IonicContact OE1-CZ 2.84Å; E552-R555 IonicContact OE1-NH1 3.9Å; E552-R555 PolarHBondContact OE1-NH1 3.22Å; E552-R555 IonicContact OE2-CZ 3.74Å; E552-R555 IonicContact OE2-NH1 3.67Å; E552-R555 PolarHBondContact OE2-NH1 3.17Å; E552-R555 IonicContact OE2-NH2 2.69Å; E552-R555 PolarHBondContact OE2-NH2 3.36Å; R555-C557 PolarHBondContact O-N 3.45Å; R555-G558 WeakPolarHBondContact O-CA 3.38Å; R555-G558 PolarHBondContact O-N 2.96Å
556	S	79.1	Confident	77.3	Confident	78 Å²	78	55.9 Å²	55.9	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-35.2	174.5	61.1	0	0	0	0	111.8	E552 E553 G558 R652	E552-S556 PolarHBondContact O-N 2.92Å; E553-S556 PolarHBondContact O-OG 3.08Å; S556-G558 PolarHBondContact O-N 3.33Å; S556-R652 PolarHBondContact O-NH2 3.06Å
557	C	73.6	Confident	76.5	Confident	17 Å²	17	60.9 Å²	60.9	12%	0.115	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.1	170.8	-61.5	0	0	0	0	113.9	E553 M554 R555 I559 M585 V648 R652	E553-C557 PolarHBondContact O-N 3.33Å; E553-C557 PolarHBondContact O-SG 3.35Å; M554-C557 PolarHBondContact O-N 3.32Å; R555-C557 PolarHBondContact O-N 3.45Å; C557-I559 HydrophobicContact CB-CD1 4.46Å; C557-M585 HydrophobicContact CB-CB 4.18Å; C557-M585 HydrophobicContact CB-CE 4.1Å; C557-M585 HydrophobicContact CB-CG 3.95Å; C557-M585 WeakPolarHBondContact O-CE 3.33Å; C557-V648 WeakPolarHBondContact O-CG1 3.42Å; C557-R652 VanDerWaalsContact C-NH2 3.28Å; C557-R652 PolarHBondContact O-NH2 2.88Å
558	G	72.6	Confident	75.4	Confident	33 Å²	33	67.2 Å²	67.2	34%	0.34	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	14.2	-178.8	0	0	0	0	0	115.2	M554 R555 S556	M554-G558 PolarHBondContact O-N 3.28Å; R555-G558 WeakPolarHBondContact O-CA 3.38Å; R555-G558 PolarHBondContact O-N 2.96Å; S556-G558 PolarHBondContact O-N 3.33Å
559	I	79.6	Confident	75	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	34%	0.34	C	S	.	.			trans	-95.4	121.3	-178.4	-66	174.8	0	0	0	109.7	M554 C557 F561 T581 M585 F640 T644 V648	M554-I559 CarbonylContact C-O 3.58Å; M554-I559 HydrophobicContact CB-CB 4.36Å; M554-I559 HydrophobicContact CB-CG2 4.47Å; M554-I559 WeakPolarHBondContact O-CB 3.43Å; M554-I559 PolarHBondContact O-N 3.48Å; M554-I559 HydrophobicContact SD-CD1 4.2Å; M554-I559 HydrophobicContact SD-CG2 4.49Å; C557-I559 HydrophobicContact CB-CD1 4.46Å; I559-F561 HydrophobicContact CG2-CD2 4.39Å; I559-F561 PolarHBondContact O-N 3.37Å; I559-T581 HydrophobicContact CD1-CG2 3.37Å; I559-M585 HydrophobicContact CD1-CG 4.21Å; I559-F640 HydrophobicContact CG2-CE2 4.04Å; I559-F640 HydrophobicContact CG2-CZ 4.09Å; I559-T644 HydrophobicContact CG2-CG2 3.85Å; I559-V648 HydrophobicContact CG1-CB 4.33Å; I559-V648 HydrophobicContact CG1-CG1 4.02Å; I559-V648 HydrophobicContact CG1-CG2 4.23Å
560	N	73.8	Confident	74.7	Confident	89 Å²	89	64.6 Å²	64.6	48%	0.476	33%	0.334	S	S	.	.			trans	-78.2	91	172.5	-170.5	-3.7	0	0	0	110.8	Q562	N560-Q562 VanDerWaalsContact C-N 3.3Å; N560-Q562 PolarHBondContact O-N 3.46Å; N560-Q562 WeakPolarHBondContact OD1-CB 3.25Å; N560-Q562 WeakPolarHBondContact OD1-CG 3.49Å; N560-Q562 PolarHBondContact OD1-N 2.55Å; N560-Q562 PolarHBondContact OD1-OE1 2.82Å
561	F	75.9	Confident	74.6	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.022	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-79.3	-7	-176.6	-153	-114	0	0	0	114.4	L550 K551 M554 I559 L563 Y564 T565 V571 L573 V578 F640	L550-F561 HydrophobicContact CD2-CE1 3.67Å; L550-F561 HydrophobicContact CD2-CZ 4Å; L550-F561 HydrophobicContact CG-CE1 4.01Å; L550-F561 HydrophobicContact CG-CZ 4.44Å; K551-F561 HydrophobicContact CG-CD1 4.33Å; M554-F561 HydrophobicContact CB-CB 3.83Å; M554-F561 HydrophobicContact CB-CD2 4.21Å; M554-F561 HydrophobicContact CB-CG 4.06Å; M554-F561 HydrophobicContact CE-CE2 4.13Å; M554-F561 HydrophobicContact CG-CB 4.26Å; M554-F561 HydrophobicContact CG-CD1 4.42Å; M554-F561 HydrophobicContact CG-CD2 3.76Å; M554-F561 HydrophobicContact CG-CE2 4.14Å; M554-F561 HydrophobicContact CG-CG 3.91Å; M554-F561 HydrophobicContact SD-CD2 4.32Å; M554-F561 HydrophobicContact SD-CE2 4.45Å; I559-F561 HydrophobicContact CG2-CD2 4.39Å; I559-F561 PolarHBondContact O-N 3.37Å; F561-L563 VanDerWaalsContact C-N 3.31Å; F561-L563 PolarHBondContact O-N 3.06Å; F561-Y564 PolarHBondContact O-N 3.29Å; F561-Y564 VanDerWaalsContact O-N 3.12Å; F561-T565 HydrophobicContact CD1-CG2 3.5Å; F561-T565 HydrophobicContact CE1-CG2 3.67Å; F561-V571 HydrophobicContact CE1-CG1 3.74Å; F561-V571 HydrophobicContact CE1-CG2 4.24Å; F561-V571 HydrophobicContact CZ-CG1 3.58Å; F561-L573 HydrophobicContact CE2-CD1 3.65Å; F561-L573 HydrophobicContact CZ-CD1 4.02Å; F561-V578 HydrophobicContact CE2-CG2 4.33Å; F561-V578 HydrophobicContact CZ-CG2 4Å; F561-F640 HydrophobicContact CD2-CE2 4.17Å; F561-F640 HydrophobicContact CD2-CZ 4.11Å; F561-F640 HydrophobicContact CE2-CE2 4.31Å; F561-F640 AromaticContact CE2-CZ 3.97Å; F561-F640 HydrophobicContact CE2-CZ 3.97Å
562	Q	68.6	Low	74.6	Confident	128 Å²	128	62.6 Å²	62.6	60%	0.598	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-61.1	-36.3	-169.9	-66.6	172	-17.7	0	0	113.4	N560 Y564 T565	N560-Q562 VanDerWaalsContact C-N 3.3Å; N560-Q562 PolarHBondContact O-N 3.46Å; N560-Q562 WeakPolarHBondContact OD1-CB 3.25Å; N560-Q562 WeakPolarHBondContact OD1-CG 3.49Å; N560-Q562 PolarHBondContact OD1-N 2.55Å; N560-Q562 PolarHBondContact OD1-OE1 2.82Å; Q562-Y564 PolarHBondContact O-N 3.15Å; Q562-T565 PolarHBondContact O-OG1 3.36Å
563	L	70.2	Confident	74.7	Confident	140 Å²	140	57.9 Å²	57.9	73%	0.733	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-71	-13	-179.1	-64	169.9	0	0	0	113.9	F561	F561-L563 VanDerWaalsContact C-N 3.31Å; F561-L563 PolarHBondContact O-N 3.06Å
564	Y	71.8	Confident	74.9	Confident	29 Å²	29	54.8 Å²	54.8	11%	0.114	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-111.7	4.1	-172.8	-62.1	-83	0	0	0	113.3	F561 Q562 V571 N572 L573 F640 T644	F561-Y564 PolarHBondContact O-N 3.29Å; F561-Y564 VanDerWaalsContact O-N 3.12Å; Q562-Y564 PolarHBondContact O-N 3.15Å; Y564-V571 WeakPolarHBondContact O-CG1 3.23Å; Y564-N572 PolarHBondContact O-N 3.27Å; Y564-L573 HydrophobicContact CD1-CD1 4.23Å; Y564-L573 HydrophobicContact CD1-CD2 3.88Å; Y564-L573 HydrophobicContact CD1-CG 4.14Å; Y564-L573 HydrophobicContact CE1-CD2 4.46Å; Y564-L573 HydrophobicContact CG-CD1 4.08Å; Y564-L573 HydrophobicContact CG-CG 4.38Å; Y564-F640 HydrophobicContact CD1-CB 4.43Å; Y564-F640 HydrophobicContact CD1-CD2 4.16Å; Y564-F640 AromaticContact CD2-CD2 3.75Å; Y564-F640 HydrophobicContact CD2-CD2 3.75Å; Y564-F640 HydrophobicContact CD2-CE2 4.03Å; Y564-F640 HydrophobicContact CE1-CB 3.91Å; Y564-F640 AromaticContact CE1-CD2 3.99Å; Y564-F640 HydrophobicContact CE1-CD2 3.99Å; Y564-F640 HydrophobicContact CE1-CG 4.37Å; Y564-F640 AromaticContact CE2-CD2 3.57Å; Y564-F640 HydrophobicContact CE2-CD2 3.57Å; Y564-F640 HydrophobicContact CE2-CE2 4.14Å; Y564-F640 HydrophobicContact CG-CD2 4.05Å; Y564-F640 HydrophobicContact CG-CE2 4.49Å; Y564-F640 AromaticContact CZ-CD2 3.69Å; Y564-T644 PolarHBondContact OH-OG1 2.93Å
565	T	73.8	Confident	75.1	Confident	23 Å²	23	61.5 Å²	61.5	14%	0.141	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-104.8	132.1	175.9	64.2	0	0	0	0	111.3	L547 K551 F561 Q562 V571	L547-T565 HydrophobicContact CD1-CG2 3.8Å; K551-T565 WeakPolarHBondContact CE-OG1 3.31Å; K551-T565 HydrophobicContact CG-CG2 4.35Å; K551-T565 PolarHBondContact NZ-OG1 3.02Å; F561-T565 HydrophobicContact CD1-CG2 3.5Å; F561-T565 HydrophobicContact CE1-CG2 3.67Å; Q562-T565 PolarHBondContact O-OG1 3.36Å; T565-V571 HydrophobicContact CG2-CG2 4.41Å
566	G	66.9	Low	75.3	Confident	22 Å²	22	55.8 Å²	55.8	23%	0.227	30%	0.295	C	S	.	.			trans	-92.4	-168.5	172.5	0	0	0	0	0	112.2	W570	G566-W570 PolarHBondContact N-O 3.49Å
567	D	60.8	Low	75.7	Confident	140 Å²	140	52.3 Å²	52.3	75%	0.749	27%	0.271	S	S	*	.	S	Bend	trans	-70.2	153	-176.5	-57.8	-47.7	0	0	0	113.3	C569 W570	D567-C569 VanDerWaalsContact C-N 3.26Å; D567-C569 PolarHBondContact O-N 3.05Å; D567-W570 PolarHBondContact O-N 2.75Å
568	D	58.1	Low	76.4	Confident	145 Å²	145	51.8 Å²	51.8	78%	0.775	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-47.2	174.6	-64.6	-27.5	0	0	0	119.5
569	C	72.6	Confident	77.1	Confident	18 Å²	18	51 Å²	51	12%	0.122	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	-3.1	-178.9	-83.8	0	0	0	0	114.9	N540 L541 M542 T543 D567	N540-C569 WeakPolarHBondContact OD1-CB 3.42Å; L541-C569 PolarHBondContact N-O 3.19Å; L541-C569 VanDerWaalsContact N-O 3.14Å; M542-C569 VanDerWaalsContact C-SG 3.51Å; T543-C569 VanDerWaalsContact CA-SG 3.57Å; T543-C569 PolarHBondContact N-SG 3.3Å; D567-C569 VanDerWaalsContact C-N 3.26Å; D567-C569 PolarHBondContact O-N 3.05Å
570	W	77.6	Confident	77.6	Confident	119 Å²	119	51.1 Å²	51.1	45%	0.451	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	146	-166.5	-68	90.4	0	0	0	113.7	R538 N540 G566 D567	R538-W570 HydrophobicContact CB-CE3 4.01Å; R538-W570 HydrophobicContact CB-CZ3 4.27Å; N540-W570 HydrophobicContact CB-CD2 4.06Å; N540-W570 HydrophobicContact CB-CE3 3.82Å; N540-W570 HydrophobicContact CB-CH2 3.89Å; N540-W570 HydrophobicContact CB-CZ2 4.1Å; N540-W570 HydrophobicContact CB-CZ3 3.75Å; G566-W570 PolarHBondContact N-O 3.49Å; D567-W570 PolarHBondContact O-N 2.75Å
571	V	81.4	Confident	78.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.1	169.2	-175.6	0	0	0	0	109	M539 L541 L547 L550 F561 Y564 T565 L573	M539-V571 HydrophobicContact CG-CB 3.59Å; M539-V571 HydrophobicContact CG-CG1 4.35Å; M539-V571 HydrophobicContact CG-CG2 4.13Å; M539-V571 PolarHBondContact N-O 3.16Å; M539-V571 PolarHBondContact O-N 3.24Å; M539-V571 HydrophobicContact SD-CB 4.05Å; M539-V571 HydrophobicContact SD-CG1 4.27Å; M539-V571 HydrophobicContact SD-CG2 4.41Å; L541-V571 HydrophobicContact CD1-CG2 4.01Å; L547-V571 HydrophobicContact CD1-CG2 3.55Å; L550-V571 HydrophobicContact CD2-CG2 4.18Å; F561-V571 HydrophobicContact CE1-CG1 3.74Å; F561-V571 HydrophobicContact CE1-CG2 4.24Å; F561-V571 HydrophobicContact CZ-CG1 3.58Å; Y564-V571 WeakPolarHBondContact O-CG1 3.23Å; T565-V571 HydrophobicContact CG2-CG2 4.41Å; V571-L573 HydrophobicContact CG1-CB 4.02Å; V571-L573 HydrophobicContact CG1-CD1 4.47Å; V571-L573 HydrophobicContact CG1-CG 4.37Å; V571-L573 PolarHBondContact O-N 3.36Å
572	N	82.4	Confident	78.9	Confident	30 Å²	30	50.3 Å²	50.3	16%	0.16	25%	0.25	C	C	.	.	S	Bend	trans	-83	34.4	-179.4	-63.1	-41.1	0	0	0	112.2	R538 Y564 F633	R538-N572 WeakPolarHBondContact CD-OD1 3.24Å; R538-N572 PolarHBondContact NE-OD1 3.44Å; Y564-N572 PolarHBondContact O-N 3.27Å; N572-F633 WeakPolarHBondContact O-CE2 3.44Å
573	L	84.3	Confident	79.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-134.9	158.9	176	-65	172.2	0	0	0	108.7	M539 F561 Y564 V571 V578 N637 F640	M539-L573 PolarHBondContact N-O 3.1Å; F561-L573 HydrophobicContact CE2-CD1 3.65Å; F561-L573 HydrophobicContact CZ-CD1 4.02Å; Y564-L573 HydrophobicContact CD1-CD1 4.23Å; Y564-L573 HydrophobicContact CD1-CD2 3.88Å; Y564-L573 HydrophobicContact CD1-CG 4.14Å; Y564-L573 HydrophobicContact CE1-CD2 4.46Å; Y564-L573 HydrophobicContact CG-CD1 4.08Å; Y564-L573 HydrophobicContact CG-CG 4.38Å; V571-L573 HydrophobicContact CG1-CB 4.02Å; V571-L573 HydrophobicContact CG1-CD1 4.47Å; V571-L573 HydrophobicContact CG1-CG 4.37Å; V571-L573 PolarHBondContact O-N 3.36Å; L573-V578 HydrophobicContact CB-CG2 3.98Å; L573-V578 HydrophobicContact CD1-CG2 4.23Å; L573-N637 WeakPolarHBondContact CA-OD1 3.44Å; L573-N637 WeakPolarHBondContact CD2-OD1 3.34Å; L573-F640 HydrophobicContact CD1-CD1 3.74Å; L573-F640 HydrophobicContact CD1-CD2 3.92Å; L573-F640 HydrophobicContact CD1-CE1 3.82Å; L573-F640 HydrophobicContact CD1-CE2 4Å; L573-F640 HydrophobicContact CD1-CG 3.78Å; L573-F640 HydrophobicContact CD1-CZ 3.95Å; L573-F640 HydrophobicContact CD2-CB 3.71Å; L573-F640 HydrophobicContact CD2-CD1 4.16Å; L573-F640 HydrophobicContact CD2-CG 3.9Å
574	S	86.1	Confident	80.8	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.			trans	-78.2	155.7	175.6	88.5	0	0	0	0	111.3	E534 T576 V577 V578 N637	E534-S574 WeakPolarHBondContact OE2-CB 3.41Å; E534-S574 PolarHBondContact OE2-OG 2.77Å; S574-T576 VanDerWaalsContact C-N 3.29Å; S574-T576 PolarHBondContact O-N 3.44Å; S574-T576 PolarHBondContact OG-OG1 2.9Å; S574-V577 PolarHBondContact O-N 3.49Å; S574-V577 WeakPolarHBondContact OG-CG2 3.34Å; S574-V577 PolarHBondContact OG-N 3.32Å; S574-V578 PolarHBondContact O-N 2.85Å; S574-N637 PolarHBondContact N-OD1 3.32Å
575	Y	85.8	Confident	81.7	Confident	142 Å²	142	38.7 Å²	38.7	56%	0.557	19%	0.193	S	C	*	.	H	α-helix	trans	-60.6	-39.2	177.5	170	-99.6	0	0	0	111.9	M539 V578 A579	M539-Y575 HydrophobicContact CE-CD2 3.89Å; Y575-V578 PolarHBondContact O-N 3.32Å; Y575-A579 HydrophobicContact CE1-CB 4.42Å; Y575-A579 VanDerWaalsContact O-CB 3.28Å; Y575-A579 WeakPolarHBondContact O-CB 3.23Å; Y575-A579 PolarHBondContact O-N 2.94Å
576	T	87.4	Confident	82.4	Confident	9 Å²	9	40 Å²	40	6%	0.055	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-40.2	-177.1	65.8	0	0	0	0	112	R530 E534 S574 A579 F580	R530-T576 HydrophobicContact CB-CG2 3.94Å; R530-T576 WeakPolarHBondContact O-CG2 3.31Å; E534-T576 HydrophobicContact CB-CG2 4.02Å; E534-T576 HydrophobicContact CG-CG2 4.29Å; E534-T576 WeakPolarHBondContact OE2-CB 3.4Å; E534-T576 WeakPolarHBondContact OE2-CG2 3.27Å; E534-T576 PolarHBondContact OE2-OG1 3.49Å; S574-T576 VanDerWaalsContact C-N 3.29Å; S574-T576 PolarHBondContact O-N 3.44Å; S574-T576 PolarHBondContact OG-OG1 2.9Å; T576-A579 PolarHBondContact O-N 2.83Å; T576-F580 WeakPolarHBondContact O-CB 3.43Å; T576-F580 PolarHBondContact O-N 3.16Å
577	V	87.1	Confident	83.5	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-40.9	178	170.8	0	0	0	0	111.4	W536 S574 T581 N637 F640 L641	W536-V577 HydrophobicContact CH2-CG2 4.4Å; W536-V577 HydrophobicContact CZ3-CG2 4.22Å; S574-V577 PolarHBondContact O-N 3.49Å; S574-V577 WeakPolarHBondContact OG-CG2 3.34Å; S574-V577 PolarHBondContact OG-N 3.32Å; V577-T581 WeakPolarHBondContact O-CB 3.3Å; V577-T581 PolarHBondContact O-N 2.93Å; V577-T581 PolarHBondContact O-OG1 3Å; V577-N637 HydrophobicContact CG2-CB 4.14Å; V577-F640 HydrophobicContact CG1-CD1 3.66Å; V577-F640 HydrophobicContact CG1-CE1 4.11Å; V577-L641 HydrophobicContact CG1-CD1 4.49Å; V577-L641 HydrophobicContact CG1-CD2 4.05Å; V577-L641 HydrophobicContact CG1-CG 4.05Å; V577-L641 HydrophobicContact CG2-CD1 4.4Å
578	V	87	Confident	84.9	Confident	6 Å²	6	32.3 Å²	32.3	4%	0.036	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-42.4	174.8	170.2	0	0	0	0	111.6	M539 L550 M554 F561 L573 S574 Y575 T581 K582	M539-V578 HydrophobicContact CE-CB 4.49Å; M539-V578 HydrophobicContact CE-CG1 4.37Å; M539-V578 HydrophobicContact SD-CB 4.04Å; M539-V578 HydrophobicContact SD-CG1 4.32Å; M539-V578 HydrophobicContact SD-CG2 3.74Å; L550-V578 HydrophobicContact CD1-CG1 3.97Å; L550-V578 HydrophobicContact CD2-CG1 4.25Å; M554-V578 HydrophobicContact CE-CG1 3.81Å; F561-V578 HydrophobicContact CE2-CG2 4.33Å; F561-V578 HydrophobicContact CZ-CG2 4Å; L573-V578 HydrophobicContact CB-CG2 3.98Å; L573-V578 HydrophobicContact CD1-CG2 4.23Å; S574-V578 PolarHBondContact O-N 2.85Å; Y575-V578 PolarHBondContact O-N 3.32Å; V578-T581 PolarHBondContact O-N 2.96Å; V578-K582 PolarHBondContact O-N 2.93Å; V578-K582 VanDerWaalsContact O-N 3.16Å
579	A	88.1	Confident	86.4	Confident	15 Å²	15	29 Å²	29	12%	0.124	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-43.2	176.9	0	0	0	0	0	112.3	Y575 T576 K582 Q583	Y575-A579 HydrophobicContact CE1-CB 4.42Å; Y575-A579 VanDerWaalsContact O-CB 3.28Å; Y575-A579 WeakPolarHBondContact O-CB 3.23Å; Y575-A579 PolarHBondContact O-N 2.94Å; T576-A579 PolarHBondContact O-N 2.83Å; A579-K582 PolarHBondContact O-N 2.89Å; A579-Q583 PolarHBondContact O-N 3.3Å
580	F	90.7	Very high	87.1	Confident	7 Å²	7	29.1 Å²	29.1	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-57.8	-49.5	173.4	171.1	-96.4	0	0	0	111	T527 T576 K582 Q583 M584 I610 A614 L641	T527-F580 HydrophobicContact CG2-CD2 3.84Å; T527-F580 HydrophobicContact CG2-CE2 4.47Å; T576-F580 WeakPolarHBondContact O-CB 3.43Å; T576-F580 PolarHBondContact O-N 3.16Å; F580-K582 VanDerWaalsContact C-N 3.3Å; F580-K582 PolarHBondContact O-N 2.78Å; F580-Q583 PolarHBondContact O-N 3.14Å; F580-Q583 VanDerWaalsContact O-N 3.14Å; F580-M584 HydrophobicContact CE1-CB 4.29Å; F580-M584 HydrophobicContact CZ-CB 4.26Å; F580-M584 HydrophobicContact CZ-CG 4.37Å; F580-M584 VanDerWaalsContact O-CB 3.3Å; F580-M584 WeakPolarHBondContact O-CB 3.23Å; F580-M584 PolarHBondContact O-N 3.42Å; F580-I610 HydrophobicContact CE2-CG2 3.54Å; F580-I610 WeakPolarHBondContact CE2-O 3.37Å; F580-I610 HydrophobicContact CZ-CG2 3.95Å; F580-A614 HydrophobicContact CD1-CB 4.04Å; F580-A614 HydrophobicContact CD2-CB 3.95Å; F580-A614 HydrophobicContact CE1-CB 3.77Å; F580-A614 HydrophobicContact CE2-CB 3.65Å; F580-A614 HydrophobicContact CG-CB 4.14Å; F580-A614 HydrophobicContact CZ-CB 3.57Å; F580-L641 HydrophobicContact CD1-CD2 3.82Å; F580-L641 HydrophobicContact CE1-CD2 3.97Å
581	T	88.6	Confident	87.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56	-45.3	179.4	-59.3	0	0	0	0	111.4	M554 I559 V577 V578 M584 M585 F640 V645	M554-T581 HydrophobicContact CE-CG2 4.14Å; M554-T581 HydrophobicContact SD-CG2 4.03Å; I559-T581 HydrophobicContact CD1-CG2 3.37Å; V577-T581 WeakPolarHBondContact O-CB 3.3Å; V577-T581 PolarHBondContact O-N 2.93Å; V577-T581 PolarHBondContact O-OG1 3Å; V578-T581 PolarHBondContact O-N 2.96Å; T581-M584 PolarHBondContact O-N 3.43Å; T581-M585 VanDerWaalsContact O-CG 3.31Å; T581-M585 WeakPolarHBondContact O-CG 3.48Å; T581-M585 PolarHBondContact O-N 3.27Å; T581-F640 HydrophobicContact CG2-CE1 4.42Å; T581-F640 HydrophobicContact CG2-CZ 4.48Å; T581-V645 HydrophobicContact CG2-CG1 4.23Å; T581-V645 HydrophobicContact CG2-CG2 3.8Å
582	K	88.7	Confident	87.9	Confident	78 Å²	78	25 Å²	25	34%	0.339	12%	0.122	S	C	.	.	H	α-helix	trans	-61.8	-45.9	175.9	-74.5	-178.6	165.5	-168.7	0	113	E553 M554 V578 A579 F580 S586	E553-K582 VanDerWaalsContact OE2-CE 3.26Å; E553-K582 WeakPolarHBondContact OE2-CE 3.47Å; E553-K582 IonicContact OE2-NZ 2.69Å; E553-K582 PolarHBondContact OE2-NZ 3.47Å; M554-K582 HydrophobicContact CE-CG 4Å; V578-K582 PolarHBondContact O-N 2.93Å; V578-K582 VanDerWaalsContact O-N 3.16Å; A579-K582 PolarHBondContact O-N 2.89Å; F580-K582 VanDerWaalsContact C-N 3.3Å; F580-K582 PolarHBondContact O-N 2.78Å; K582-S586 WeakPolarHBondContact O-CB 3.17Å; K582-S586 PolarHBondContact O-N 2.91Å
583	Q	89.3	Confident	88.1	Confident	51 Å²	51	28.1 Å²	28.1	24%	0.238	13%	0.134	C	C	.	.	H	α-helix	trans	-66.4	-39.6	179	-71.6	-164.1	-54.6	0	0	112.3	R530 A579 F580 S586 F587	R530-Q583 VanDerWaalsContact NH2-NE2 3.12Å; A579-Q583 PolarHBondContact O-N 3.3Å; F580-Q583 PolarHBondContact O-N 3.14Å; F580-Q583 VanDerWaalsContact O-N 3.14Å; Q583-S586 PolarHBondContact O-N 2.96Å; Q583-F587 WeakPolarHBondContact O-CB 3.5Å; Q583-F587 PolarHBondContact O-N 2.9Å
584	M	89.3	Confident	88.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-45.3	177.5	-177.7	61.1	-174.9	0	0	111.7	F580 T581 F587 L588 L607 I610 I611 V649	F580-M584 HydrophobicContact CE1-CB 4.29Å; F580-M584 HydrophobicContact CZ-CB 4.26Å; F580-M584 HydrophobicContact CZ-CG 4.37Å; F580-M584 VanDerWaalsContact O-CB 3.3Å; F580-M584 WeakPolarHBondContact O-CB 3.23Å; F580-M584 PolarHBondContact O-N 3.42Å; T581-M584 PolarHBondContact O-N 3.43Å; M584-F587 PolarHBondContact O-N 3.48Å; M584-L588 WeakPolarHBondContact O-CB 3.03Å; M584-L588 PolarHBondContact O-N 3.32Å; M584-L607 HydrophobicContact CE-CB 3.92Å; M584-L607 HydrophobicContact CE-CD2 3.37Å; M584-L607 HydrophobicContact CE-CG 4.23Å; M584-L607 HydrophobicContact SD-CD2 4.07Å; M584-I610 HydrophobicContact SD-CB 4.12Å; M584-I610 HydrophobicContact SD-CG2 3.55Å; M584-I610 VanDerWaalsContact SD-CG2 3.55Å; M584-I611 HydrophobicContact CE-CD1 3.57Å; M584-I611 HydrophobicContact CE-CG1 3.53Å; M584-I611 HydrophobicContact SD-CG1 4.27Å; M584-V649 HydrophobicContact CE-CG1 3.7Å; M584-V649 HydrophobicContact CE-CG2 4.04Å; M584-V649 HydrophobicContact CG-CG2 4.16Å
585	M	89.3	Confident	88.2	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-41.1	176.7	-67.2	-55	-52.8	0	0	112.1	C557 I559 T581 F587 L588 E589 V648 V649 R652	C557-M585 HydrophobicContact CB-CB 4.18Å; C557-M585 HydrophobicContact CB-CE 4.1Å; C557-M585 HydrophobicContact CB-CG 3.95Å; C557-M585 WeakPolarHBondContact O-CE 3.33Å; I559-M585 HydrophobicContact CD1-CG 4.21Å; T581-M585 VanDerWaalsContact O-CG 3.31Å; T581-M585 WeakPolarHBondContact O-CG 3.48Å; T581-M585 PolarHBondContact O-N 3.27Å; M585-F587 PolarHBondContact O-N 3.14Å; M585-L588 HydrophobicContact CE-CD2 4.04Å; M585-L588 PolarHBondContact O-N 2.9Å; M585-L588 HydrophobicContact SD-CD2 4.42Å; M585-E589 WeakPolarHBondContact O-CG 3.43Å; M585-E589 PolarHBondContact O-N 2.99Å; M585-V648 HydrophobicContact CE-CG1 4.1Å; M585-V648 HydrophobicContact SD-CG1 4.26Å; M585-V649 HydrophobicContact SD-CG2 3.86Å; M585-R652 HydrophobicContact CE-CG 4.39Å
586	S	88.9	Confident	88.1	Confident	50 Å²	50	24 Å²	24	35%	0.35	12%	0.118	S	C	.	.	H	α-helix	trans	-62.2	-41.7	174.6	178.1	0	0	0	0	112.3	K582 Q583 E589 E590	K582-S586 WeakPolarHBondContact O-CB 3.17Å; K582-S586 PolarHBondContact O-N 2.91Å; Q583-S586 PolarHBondContact O-N 2.96Å; S586-E589 PolarHBondContact O-N 3.43Å; S586-E590 WeakPolarHBondContact O-CG 3.43Å; S586-E590 PolarHBondContact O-N 3.45Å
587	F	90.8	Very high	87.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-40.2	174.7	179.6	-119.5	0	0	0	112.7	L476 L516 Y519 K520 I523 Q583 M584 M585 G591 L603 L607 I610	L476-F587 HydrophobicContact CD2-CD2 3.69Å; L476-F587 HydrophobicContact CD2-CE2 3.92Å; L516-F587 HydrophobicContact CD2-CE2 3.88Å; L516-F587 HydrophobicContact CD2-CZ 4.28Å; Y519-F587 AromaticContact CD1-CD2 3.52Å; Y519-F587 HydrophobicContact CD1-CD2 3.52Å; Y519-F587 AromaticContact CD1-CE2 3.99Å; Y519-F587 HydrophobicContact CD1-CE2 3.99Å; Y519-F587 HydrophobicContact CD1-CG 4.46Å; Y519-F587 HydrophobicContact CE1-CB 4.46Å; Y519-F587 AromaticContact CE1-CD2 3.99Å; Y519-F587 HydrophobicContact CE1-CD2 3.99Å; K520-F587 HydrophobicContact CB-CZ 4.21Å; I523-F587 HydrophobicContact CD1-CB 3.59Å; I523-F587 HydrophobicContact CD1-CD1 4.45Å; I523-F587 HydrophobicContact CD1-CD2 4.02Å; I523-F587 HydrophobicContact CD1-CG 3.77Å; Q583-F587 WeakPolarHBondContact O-CB 3.5Å; Q583-F587 PolarHBondContact O-N 2.9Å; M584-F587 PolarHBondContact O-N 3.48Å; M585-F587 PolarHBondContact O-N 3.14Å; F587-G591 WeakPolarHBondContact O-CA 3.37Å; F587-G591 PolarHBondContact O-N 3.26Å; F587-L603 HydrophobicContact CE1-CD1 4.32Å; F587-L603 HydrophobicContact CZ-CD1 4.33Å; F587-L607 HydrophobicContact CD1-CD2 3.73Å; F587-L607 HydrophobicContact CE1-CD2 4Å; F587-L607 HydrophobicContact CE1-CG 4.28Å; F587-I610 HydrophobicContact CD1-CD1 3.4Å; F587-I610 HydrophobicContact CE1-CD1 3.45Å; F587-I610 VanDerWaalsContact CE1-CD1 3.45Å; F587-I610 HydrophobicContact CG-CD1 4.18Å; F587-I610 HydrophobicContact CZ-CD1 4.25Å
588	L	90.1	Very high	87.7	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-48.6	174.8	179.4	64.9	0	0	0	111.1	M584 M585 G591 L592 L607 V649 R652 F653	M584-L588 WeakPolarHBondContact O-CB 3.03Å; M584-L588 PolarHBondContact O-N 3.32Å; M585-L588 HydrophobicContact CE-CD2 4.04Å; M585-L588 PolarHBondContact O-N 2.9Å; M585-L588 HydrophobicContact SD-CD2 4.42Å; L588-G591 PolarHBondContact O-N 2.83Å; L588-L592 HydrophobicContact CD1-CD1 3.83Å; L588-L592 HydrophobicContact CD1-CG 4.04Å; L588-L592 HydrophobicContact CG-CD1 3.86Å; L588-L592 HydrophobicContact CG-CG 4.42Å; L588-L592 VanDerWaalsContact O-CB 3.29Å; L588-L592 WeakPolarHBondContact O-CB 3.38Å; L588-L592 WeakPolarHBondContact O-CG 3.38Å; L588-L592 PolarHBondContact O-N 3.14Å; L588-L607 HydrophobicContact CB-CD2 4.19Å; L588-L607 HydrophobicContact CD1-CD1 3.74Å; L588-L607 HydrophobicContact CD1-CD2 4.03Å; L588-V649 HydrophobicContact CD2-CB 4.35Å; L588-V649 HydrophobicContact CD2-CG1 4.14Å; L588-V649 HydrophobicContact CD2-CG2 4.35Å; L588-R652 HydrophobicContact CD2-CB 3.81Å; L588-F653 HydrophobicContact CD1-CB 4.3Å; L588-F653 HydrophobicContact CD1-CD2 4.21Å
589	E	88.6	Confident	87.6	Confident	75 Å²	75	32.5 Å²	32.5	35%	0.35	16%	0.163	S	C	.	.	H	α-helix	trans	-63.4	-47.7	-178.3	-72.8	178.2	177.6	0	0	112.2	M585 S586 L592 K593 R652	M585-E589 WeakPolarHBondContact O-CG 3.43Å; M585-E589 PolarHBondContact O-N 2.99Å; S586-E589 PolarHBondContact O-N 3.43Å; E589-L592 PolarHBondContact O-N 2.99Å; E589-K593 PolarHBondContact O-N 2.63Å; E589-K593 VanDerWaalsContact O-N 3.13Å; E589-R652 IonicContact OE1-NH1 2.89Å
590	E	88.5	Confident	87.5	Confident	21 Å²	21	33.2 Å²	33.2	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-71	-35.7	178.2	-58.7	-60.7	174.5	0	0	112.5	L476 S477 A480 S586 L592 K593 L594	L476-E590 HydrophobicContact CD2-CB 3.97Å; L476-E590 HydrophobicContact CG-CB 4.03Å; S477-E590 VanDerWaalsContact CB-OE1 3.24Å; S477-E590 WeakPolarHBondContact CB-OE1 3.29Å; S477-E590 VanDerWaalsContact OG-CD 3.28Å; S477-E590 PolarHBondContact OG-OE1 2.9Å; A480-E590 WeakPolarHBondContact CB-OE2 3.36Å; S586-E590 WeakPolarHBondContact O-CG 3.43Å; S586-E590 PolarHBondContact O-N 3.45Å; E590-L592 VanDerWaalsContact C-N 3.32Å; E590-L592 PolarHBondContact O-N 2.73Å; E590-K593 VanDerWaalsContact CD-NZ 3.27Å; E590-K593 PolarHBondContact O-N 3.09Å; E590-K593 IonicContact OE1-NZ 2.83Å; E590-K593 PolarHBondContact OE1-NZ 3.46Å; E590-K593 VanDerWaalsContact OE1-NZ 3.09Å; E590-K593 VanDerWaalsContact OE2-CD 3.29Å; E590-K593 WeakPolarHBondContact OE2-CD 3.47Å; E590-K593 WeakPolarHBondContact OE2-CE 3.44Å; E590-K593 IonicContact OE2-NZ 3.96Å; E590-K593 PolarHBondContact OE2-NZ 3.07Å; E590-L594 PolarHBondContact O-N 2.83Å
591	G	87.4	Confident	87.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-32.9	173.5	0	0	0	0	0	113.3	F587 L588 L594 Y595	F587-G591 WeakPolarHBondContact O-CA 3.37Å; F587-G591 PolarHBondContact O-N 3.26Å; L588-G591 PolarHBondContact O-N 2.83Å; G591-L594 CarbonylContact O-C 3.57Å; G591-L594 PolarHBondContact O-N 2.97Å; G591-Y595 PolarHBondContact O-N 3.45Å
592	L	88.1	Confident	87.3	Confident	34 Å²	34	38 Å²	38	18%	0.178	19%	0.188	C	C	.	.	H	α-helix	trans	-73.7	-34.8	174.1	-74.2	173	0	0	0	112.6	L588 E589 E590 L594 Y595 L603 F653 A656 V657	L588-L592 HydrophobicContact CD1-CD1 3.83Å; L588-L592 HydrophobicContact CD1-CG 4.04Å; L588-L592 HydrophobicContact CG-CD1 3.86Å; L588-L592 HydrophobicContact CG-CG 4.42Å; L588-L592 VanDerWaalsContact O-CB 3.29Å; L588-L592 WeakPolarHBondContact O-CB 3.38Å; L588-L592 WeakPolarHBondContact O-CG 3.38Å; L588-L592 PolarHBondContact O-N 3.14Å; E589-L592 PolarHBondContact O-N 2.99Å; E590-L592 VanDerWaalsContact C-N 3.32Å; E590-L592 PolarHBondContact O-N 2.73Å; L592-L594 PolarHBondContact O-N 3.42Å; L592-Y595 WeakPolarHBondContact O-CB 3.27Å; L592-Y595 PolarHBondContact O-N 3.15Å; L592-Y595 VanDerWaalsContact O-N 3.17Å; L592-L603 HydrophobicContact CD2-CD2 4.2Å; L592-F653 HydrophobicContact CD2-CD2 4.29Å; L592-A656 HydrophobicContact CD1-CB 3.73Å; L592-A656 HydrophobicContact CD2-CB 3.72Å; L592-A656 HydrophobicContact CG-CB 4.2Å; L592-V657 HydrophobicContact CD2-CG2 3.81Å
593	K	86.9	Confident	87.3	Confident	95 Å²	95	34.4 Å²	34.4	41%	0.413	17%	0.173	S	C	.	.	H	α-helix	trans	-60.2	-35	170.2	-67.5	-176.6	-159.2	165.8	0	112.1	A480 E481 E589 E590 Y595	A480-K593 HydrophobicContact CB-CB 4.05Å; A480-K593 HydrophobicContact CB-CD 4.03Å; E481-K593 WeakPolarHBondContact OE1-CE 3.38Å; E481-K593 IonicContact OE1-NZ 3.59Å; E481-K593 PolarHBondContact OE1-NZ 2.76Å; E589-K593 PolarHBondContact O-N 2.63Å; E589-K593 VanDerWaalsContact O-N 3.13Å; E590-K593 VanDerWaalsContact CD-NZ 3.27Å; E590-K593 PolarHBondContact O-N 3.09Å; E590-K593 IonicContact OE1-NZ 2.83Å; E590-K593 PolarHBondContact OE1-NZ 3.46Å; E590-K593 VanDerWaalsContact OE1-NZ 3.09Å; E590-K593 VanDerWaalsContact OE2-CD 3.29Å; E590-K593 WeakPolarHBondContact OE2-CD 3.47Å; E590-K593 WeakPolarHBondContact OE2-CE 3.44Å; E590-K593 IonicContact OE2-NZ 3.96Å; E590-K593 PolarHBondContact OE2-NZ 3.07Å; K593-Y595 VanDerWaalsContact C-N 3.32Å
594	L	86.1	Confident	87.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	7.5	178.4	-72	169.1	0	0	0	114	L476 A480 V483 V512 E590 G591 L592 F596 L599	L476-L594 HydrophobicContact CD1-CD1 3.54Å; L476-L594 HydrophobicContact CG-CD1 4.15Å; A480-L594 HydrophobicContact CB-CD1 4.1Å; A480-L594 HydrophobicContact CB-CD2 4.33Å; A480-L594 HydrophobicContact CB-CG 3.89Å; V483-L594 HydrophobicContact CB-CD2 3.78Å; V483-L594 HydrophobicContact CG1-CD2 3.93Å; V483-L594 HydrophobicContact CG2-CD2 3.81Å; V512-L594 HydrophobicContact CG1-CB 3.97Å; V512-L594 HydrophobicContact CG1-CD1 4.32Å; V512-L594 HydrophobicContact CG1-CD2 4.23Å; V512-L594 HydrophobicContact CG1-CG 4.42Å; V512-L594 HydrophobicContact CG2-CD2 4.3Å; E590-L594 PolarHBondContact O-N 2.83Å; G591-L594 CarbonylContact O-C 3.57Å; G591-L594 PolarHBondContact O-N 2.97Å; L592-L594 PolarHBondContact O-N 3.42Å; L594-F596 PolarHBondContact O-N 2.73Å; L594-L599 WeakPolarHBondContact O-CD1 3.26Å
595	Y	86.3	Confident	87.1	Confident	44 Å²	44	36.1 Å²	36.1	17%	0.173	18%	0.181	C	C	.	.			trans	-71.9	127.5	-171.4	177.6	-96.6	0	0	0	113.8	G591 L592 K593 H600 L603 V657	G591-Y595 PolarHBondContact O-N 3.45Å; L592-Y595 WeakPolarHBondContact O-CB 3.27Å; L592-Y595 PolarHBondContact O-N 3.15Å; L592-Y595 VanDerWaalsContact O-N 3.17Å; K593-Y595 VanDerWaalsContact C-N 3.32Å; Y595-H600 HydrophobicContact CE2-CB 3.89Å; Y595-H600 AromaticContact CE2-ND1 3.76Å; Y595-H600 AromaticContact CZ-ND1 3.93Å; Y595-H600 PolarHBondContact OH-ND1 3.3Å; Y595-L603 HydrophobicContact CD2-CD2 4.29Å; Y595-V657 HydrophobicContact CD1-CG2 4.35Å; Y595-V657 HydrophobicContact CD2-CG2 4.01Å; Y595-V657 HydrophobicContact CE1-CG1 4.08Å; Y595-V657 HydrophobicContact CE1-CG2 4.21Å; Y595-V657 HydrophobicContact CE2-CG1 4.01Å; Y595-V657 HydrophobicContact CE2-CG2 3.85Å; Y595-V657 HydrophobicContact CG-CG2 4.27Å; Y595-V657 VanDerWaalsContact OH-CG1 3.29Å; Y595-V657 WeakPolarHBondContact OH-CG1 3.48Å
596	F	82.4	Confident	87.1	Confident	10 Å²	10	36.3 Å²	36.3	4%	0.044	18%	0.183	C	C	.	.			trans	-130.5	155.1	165	-50.4	-58.6	0	0	0	109.4	V483 Q505 L594 E598 L599 H600	V483-F596 HydrophobicContact CG1-CZ 4.21Å; Q505-F596 HydrophobicContact CG-CD1 3.73Å; Q505-F596 HydrophobicContact CG-CE1 3.62Å; Q505-F596 HydrophobicContact CG-CG 4.28Å; Q505-F596 HydrophobicContact CG-CZ 4.07Å; L594-F596 PolarHBondContact O-N 2.73Å; F596-E598 PolarHBondContact O-N 3.13Å; F596-E598 VanDerWaalsContact O-N 3.13Å; F596-L599 HydrophobicContact CB-CD1 4.45Å; F596-L599 HydrophobicContact CD2-CD1 3.64Å; F596-L599 HydrophobicContact CD2-CG 4.42Å; F596-L599 HydrophobicContact CE2-CD1 4.36Å; F596-L599 HydrophobicContact CG-CD1 4.46Å; F596-L599 PolarHBondContact O-N 2.95Å; F596-H600 PolarHBondContact O-N 3.48Å
597	P	83.2	Confident	87.1	Confident	77 Å²	77	34 Å²	34	50%	0.5	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-52.8	-35.5	-178.4	-27.8	36.3	0	0	0	114.7	L599 H600	P597-L599 VanDerWaalsContact C-N 3.3Å; P597-L599 PolarHBondContact O-N 3.15Å; P597-H600 WeakPolarHBondContact O-CB 3.21Å; P597-H600 PolarHBondContact O-N 2.84Å
598	E	83.4	Confident	87	Confident	121 Å²	121	38.7 Å²	38.7	57%	0.565	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-69.2	-27.6	179	-62.5	68.4	-150.9	0	0	112.4	V509 F596	V509-E598 HydrophobicContact CG1-CB 4.32Å; V509-E598 HydrophobicContact CG2-CB 4.12Å; V509-E598 HydrophobicContact CG2-CG 4.5Å; F596-E598 PolarHBondContact O-N 3.13Å; F596-E598 VanDerWaalsContact O-N 3.13Å
599	L	85.2	Confident	86.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-87.1	-5.2	178.1	-63	177.7	0	0	0	112.9	V509 V512 K513 L516 L594 F596 P597 M601 V602 L603	V509-L599 HydrophobicContact CG1-CD2 4.18Å; V512-L599 HydrophobicContact CB-CD1 4.08Å; V512-L599 HydrophobicContact CG1-CD1 3.45Å; V512-L599 VanDerWaalsContact CG1-CD1 3.45Å; K513-L599 HydrophobicContact CB-CD2 3.94Å; L516-L599 HydrophobicContact CD1-CD1 4.45Å; L594-L599 WeakPolarHBondContact O-CD1 3.26Å; F596-L599 HydrophobicContact CB-CD1 4.45Å; F596-L599 HydrophobicContact CD2-CD1 3.64Å; F596-L599 HydrophobicContact CD2-CG 4.42Å; F596-L599 HydrophobicContact CE2-CD1 4.36Å; F596-L599 HydrophobicContact CG-CD1 4.46Å; F596-L599 PolarHBondContact O-N 2.95Å; P597-L599 VanDerWaalsContact C-N 3.3Å; P597-L599 PolarHBondContact O-N 3.15Å; L599-M601 PolarHBondContact O-N 3.07Å; L599-V602 PolarHBondContact O-N 2.89Å; L599-V602 VanDerWaalsContact O-N 3.08Å; L599-L603 PolarHBondContact O-N 3.37Å
600	H	86.8	Confident	86.9	Confident	31 Å²	31	38.7 Å²	38.7	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-53.6	-49.8	-175.1	-177.7	86.7	0	0	0	113.4	Y595 F596 P597 L604 F653	Y595-H600 HydrophobicContact CE2-CB 3.89Å; Y595-H600 AromaticContact CE2-ND1 3.76Å; Y595-H600 AromaticContact CZ-ND1 3.93Å; Y595-H600 PolarHBondContact OH-ND1 3.3Å; F596-H600 PolarHBondContact O-N 3.48Å; P597-H600 WeakPolarHBondContact O-CB 3.21Å; P597-H600 PolarHBondContact O-N 2.84Å; H600-L604 WeakPolarHBondContact O-CB 3.48Å; H600-L604 PolarHBondContact O-N 3.25Å; H600-L604 VanDerWaalsContact O-N 3.1Å; H600-F653 AromaticContact CE1-CE1 3.66Å; H600-F653 AromaticContact CE1-CZ 3.72Å; H600-F653 AromaticContact ND1-CZ 3.85Å
601	M	86.2	Confident	86.9	Confident	96 Å²	96	38.1 Å²	38.1	47%	0.473	18%	0.181	S	C	.	.	H	α-helix	trans	-67	-40.2	178.1	-64.4	-63.4	-68.2	0	0	111.5	L599 L604 E605	L599-M601 PolarHBondContact O-N 3.07Å; M601-L604 PolarHBondContact O-N 3.31Å; M601-E605 VanDerWaalsContact O-CB 3.26Å; M601-E605 WeakPolarHBondContact O-CB 3.41Å; M601-E605 VanDerWaalsContact O-CG 3.27Å; M601-E605 WeakPolarHBondContact O-CG 3.46Å; M601-E605 PolarHBondContact O-N 2.93Å
602	V	87.3	Confident	86.8	Confident	12 Å²	12	40.6 Å²	40.6	7%	0.073	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-48.1	-179.5	178.7	0	0	0	0	111.3	K513 Q517 L599 S606	K513-V602 HydrophobicContact CD-CG2 3.91Å; K513-V602 HydrophobicContact CG-CG1 4.07Å; K513-V602 HydrophobicContact CG-CG2 4.16Å; Q517-V602 HydrophobicContact CG-CG1 4.37Å; L599-V602 PolarHBondContact O-N 2.89Å; L599-V602 VanDerWaalsContact O-N 3.08Å; V602-S606 VanDerWaalsContact O-CB 3.25Å; V602-S606 WeakPolarHBondContact O-CB 3.46Å; V602-S606 PolarHBondContact O-N 3.4Å; V602-S606 PolarHBondContact O-OG 3.38Å
603	L	88.6	Confident	86.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-44.4	178.9	-178.7	60.3	0	0	0	110.5	F587 L592 Y595 L599 S606 L607 F653	F587-L603 HydrophobicContact CE1-CD1 4.32Å; F587-L603 HydrophobicContact CZ-CD1 4.33Å; L592-L603 HydrophobicContact CD2-CD2 4.2Å; Y595-L603 HydrophobicContact CD2-CD2 4.29Å; L599-L603 PolarHBondContact O-N 3.37Å; L603-S606 PolarHBondContact O-N 3.06Å; L603-L607 HydrophobicContact CD1-CD1 4.22Å; L603-L607 HydrophobicContact CD1-CG 4.3Å; L603-L607 HydrophobicContact CG-CD1 3.96Å; L603-L607 HydrophobicContact CG-CG 4.49Å; L603-L607 WeakPolarHBondContact O-CB 3.37Å; L603-L607 WeakPolarHBondContact O-CD1 3.33Å; L603-L607 WeakPolarHBondContact O-CG 3.36Å; L603-L607 PolarHBondContact O-N 3.24Å; L603-F653 HydrophobicContact CD2-CD2 4.47Å; L603-F653 HydrophobicContact CD2-CE2 3.96Å; L603-F653 HydrophobicContact CG-CE2 4.15Å
604	L	87.1	Confident	86.8	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-39.7	-177.3	-166.3	153.6	0	0	0	112.5	H600 M601 R608 F653 A661 Q663 L664	H600-L604 WeakPolarHBondContact O-CB 3.48Å; H600-L604 PolarHBondContact O-N 3.25Å; H600-L604 VanDerWaalsContact O-N 3.1Å; M601-L604 PolarHBondContact O-N 3.31Å; L604-R608 VanDerWaalsContact O-CB 3.31Å; L604-R608 WeakPolarHBondContact O-CB 3.49Å; L604-R608 PolarHBondContact O-N 2.93Å; L604-F653 HydrophobicContact CB-CE2 4.4Å; L604-F653 HydrophobicContact CB-CZ 4.12Å; L604-F653 HydrophobicContact CD1-CE1 3.85Å; L604-F653 HydrophobicContact CD1-CZ 3.8Å; L604-F653 HydrophobicContact CG-CZ 4.32Å; L604-A661 HydrophobicContact CD1-CB 4.12Å; L604-Q663 HydrophobicContact CD2-CB 3.46Å; L604-Q663 VanDerWaalsContact CD2-CB 3.46Å; L604-Q663 VanDerWaalsContact CD2-CD 3.43Å; L604-Q663 HydrophobicContact CD2-CG 3.44Å; L604-Q663 VanDerWaalsContact CD2-CG 3.44Å; L604-L664 HydrophobicContact CG-CG 4.49Å
605	E	87.3	Confident	86.7	Confident	82 Å²	82	37.5 Å²	37.5	38%	0.383	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-41.4	170.9	-74.2	169.6	179.8	0	0	111.6	M601 R608 E609	M601-E605 VanDerWaalsContact O-CB 3.26Å; M601-E605 WeakPolarHBondContact O-CB 3.41Å; M601-E605 VanDerWaalsContact O-CG 3.27Å; M601-E605 WeakPolarHBondContact O-CG 3.46Å; M601-E605 PolarHBondContact O-N 2.93Å; E605-R608 WeakPolarHBondContact O-CB 3.44Å; E605-R608 PolarHBondContact O-N 3.3Å; E605-E609 WeakPolarHBondContact O-CG 3.41Å; E605-E609 PolarHBondContact O-N 2.67Å
606	S	89.3	Confident	86.7	Confident	6 Å²	6	40.6 Å²	40.6	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-45.6	177.4	-60.4	0	0	0	0	112	V602 L603 R608 E609 I610	V602-S606 VanDerWaalsContact O-CB 3.25Å; V602-S606 WeakPolarHBondContact O-CB 3.46Å; V602-S606 PolarHBondContact O-N 3.4Å; V602-S606 PolarHBondContact O-OG 3.38Å; L603-S606 PolarHBondContact O-N 3.06Å; S606-R608 VanDerWaalsContact C-N 3.34Å; S606-E609 PolarHBondContact O-N 3.02Å; S606-I610 WeakPolarHBondContact O-CD1 3.46Å; S606-I610 VanDerWaalsContact O-CG1 3.29Å; S606-I610 WeakPolarHBondContact O-CG1 3.3Å; S606-I610 PolarHBondContact O-N 2.9Å
607	L	89.5	Confident	86.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-43.7	174.5	-68.5	165.2	0	0	0	110.9	M584 F587 L588 L603 I610 I611 F653 L664	M584-L607 HydrophobicContact CE-CB 3.92Å; M584-L607 HydrophobicContact CE-CD2 3.37Å; M584-L607 HydrophobicContact CE-CG 4.23Å; M584-L607 HydrophobicContact SD-CD2 4.07Å; F587-L607 HydrophobicContact CD1-CD2 3.73Å; F587-L607 HydrophobicContact CE1-CD2 4Å; F587-L607 HydrophobicContact CE1-CG 4.28Å; L588-L607 HydrophobicContact CB-CD2 4.19Å; L588-L607 HydrophobicContact CD1-CD1 3.74Å; L588-L607 HydrophobicContact CD1-CD2 4.03Å; L603-L607 HydrophobicContact CD1-CD1 4.22Å; L603-L607 HydrophobicContact CD1-CG 4.3Å; L603-L607 HydrophobicContact CG-CD1 3.96Å; L603-L607 HydrophobicContact CG-CG 4.49Å; L603-L607 WeakPolarHBondContact O-CB 3.37Å; L603-L607 WeakPolarHBondContact O-CD1 3.33Å; L603-L607 WeakPolarHBondContact O-CG 3.36Å; L603-L607 PolarHBondContact O-N 3.24Å; L607-I610 PolarHBondContact O-N 3.31Å; L607-I611 WeakPolarHBondContact O-CD1 3.37Å; L607-I611 VanDerWaalsContact O-CG1 3.27Å; L607-I611 WeakPolarHBondContact O-CG1 3.3Å; L607-I611 PolarHBondContact O-N 2.72Å; L607-F653 HydrophobicContact CD1-CD2 3.78Å; L607-F653 HydrophobicContact CD1-CE2 4.09Å; L607-L664 HydrophobicContact CB-CD2 4.37Å
608	R	88.1	Confident	86.9	Confident	99 Å²	99	38.4 Å²	38.4	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-59.9	-46.4	176.9	179.8	-177.5	174.2	-92	-4.7	112.1	L604 E605 S606 I611 L612 L664 L667	L604-R608 VanDerWaalsContact O-CB 3.31Å; L604-R608 WeakPolarHBondContact O-CB 3.49Å; L604-R608 PolarHBondContact O-N 2.93Å; E605-R608 WeakPolarHBondContact O-CB 3.44Å; E605-R608 PolarHBondContact O-N 3.3Å; S606-R608 VanDerWaalsContact C-N 3.34Å; R608-I611 PolarHBondContact O-N 3.44Å; R608-L612 WeakPolarHBondContact O-CB 3.4Å; R608-L612 PolarHBondContact O-N 3.15Å; R608-L664 HydrophobicContact CB-CD2 4.25Å; R608-L667 HydrophobicContact CG-CD1 3.72Å
609	E	87.3	Confident	86.9	Confident	76 Å²	76	35.7 Å²	35.7	36%	0.355	18%	0.175	S	C	.	.	H	α-helix	trans	-64.5	-43.6	179	-75.5	179	-168.4	0	0	112.3	K520 I524 E605 S606 I611 L612 V613	K520-E609 HydrophobicContact CD-CB 4.38Å; K520-E609 WeakPolarHBondContact CD-OE2 3.49Å; K520-E609 WeakPolarHBondContact CE-OE2 3.2Å; K520-E609 IonicContact NZ-OE2 3.64Å; K520-E609 PolarHBondContact NZ-OE2 3.12Å; I524-E609 HydrophobicContact CD1-CB 4.27Å; E605-E609 WeakPolarHBondContact O-CG 3.41Å; E605-E609 PolarHBondContact O-N 2.67Å; S606-E609 PolarHBondContact O-N 3.02Å; E609-I611 PolarHBondContact O-N 3.46Å; E609-L612 PolarHBondContact O-N 3.34Å; E609-V613 WeakPolarHBondContact O-CG2 3.31Å; E609-V613 PolarHBondContact O-N 3.49Å
610	I	89.7	Confident	86.8	Confident	1 Å²	1	43 Å²	43	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-45.9	176.7	-68.8	164.2	0	0	0	110.9	K520 I523 I524 F580 M584 F587 S606 L607 V613	K520-I610 HydrophobicContact CB-CD1 4.2Å; K520-I610 HydrophobicContact CG-CD1 3.77Å; K520-I610 HydrophobicContact CG-CG1 3.76Å; I523-I610 HydrophobicContact CB-CD1 4.43Å; I523-I610 HydrophobicContact CD1-CD1 4.17Å; I523-I610 HydrophobicContact CG2-CD1 4.24Å; I523-I610 HydrophobicContact CG2-CG1 4.19Å; I523-I610 HydrophobicContact CG2-CG2 3.82Å; I524-I610 HydrophobicContact CD1-CG1 4.41Å; I524-I610 HydrophobicContact CG1-CG1 4.09Å; F580-I610 HydrophobicContact CE2-CG2 3.54Å; F580-I610 WeakPolarHBondContact CE2-O 3.37Å; F580-I610 HydrophobicContact CZ-CG2 3.95Å; M584-I610 HydrophobicContact SD-CB 4.12Å; M584-I610 HydrophobicContact SD-CG2 3.55Å; M584-I610 VanDerWaalsContact SD-CG2 3.55Å; F587-I610 HydrophobicContact CD1-CD1 3.4Å; F587-I610 HydrophobicContact CE1-CD1 3.45Å; F587-I610 VanDerWaalsContact CE1-CD1 3.45Å; F587-I610 HydrophobicContact CG-CD1 4.18Å; F587-I610 HydrophobicContact CZ-CD1 4.25Å; S606-I610 WeakPolarHBondContact O-CD1 3.46Å; S606-I610 VanDerWaalsContact O-CG1 3.29Å; S606-I610 WeakPolarHBondContact O-CG1 3.3Å; S606-I610 PolarHBondContact O-N 2.9Å; L607-I610 PolarHBondContact O-N 3.31Å; I610-V613 PolarHBondContact O-N 3.43Å
611	I	88.1	Confident	86.7	Confident	9 Å²	9	42 Å²	42	5%	0.046	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-42.6	176.1	-63.7	159.3	0	0	0	111.2	M584 L607 R608 E609 V613 A614 V615 L646 L664 L667	M584-I611 HydrophobicContact CE-CD1 3.57Å; M584-I611 HydrophobicContact CE-CG1 3.53Å; M584-I611 HydrophobicContact SD-CG1 4.27Å; L607-I611 WeakPolarHBondContact O-CD1 3.37Å; L607-I611 VanDerWaalsContact O-CG1 3.27Å; L607-I611 WeakPolarHBondContact O-CG1 3.3Å; L607-I611 PolarHBondContact O-N 2.72Å; R608-I611 PolarHBondContact O-N 3.44Å; E609-I611 PolarHBondContact O-N 3.46Å; I611-V613 VanDerWaalsContact C-N 3.28Å; I611-V613 PolarHBondContact O-N 3.4Å; I611-A614 PolarHBondContact O-N 3.05Å; I611-A614 VanDerWaalsContact O-N 3.13Å; I611-V615 HydrophobicContact CG2-CG2 4.04Å; I611-V615 WeakPolarHBondContact O-CG2 3.29Å; I611-V615 PolarHBondContact O-N 2.89Å; I611-L646 HydrophobicContact CD1-CD2 3.94Å; I611-L646 HydrophobicContact CG2-CD1 4.17Å; I611-L646 HydrophobicContact CG2-CD2 4.24Å; I611-L646 HydrophobicContact CG2-CG 4.21Å; I611-L664 HydrophobicContact CD1-CD2 3.89Å; I611-L667 HydrophobicContact CG2-CD1 4.46Å; I611-L667 HydrophobicContact CG2-CD2 3.65Å
612	L	86.5	Confident	86.5	Confident	52 Å²	52	39.2 Å²	39.2	27%	0.272	19%	0.187	S	C	.	.	H	α-helix	trans	-59.9	-38.2	-177.2	-172.9	64.6	0	0	0	112	R608 E609 V615 Q616 L667	R608-L612 WeakPolarHBondContact O-CB 3.4Å; R608-L612 PolarHBondContact O-N 3.15Å; E609-L612 PolarHBondContact O-N 3.34Å; L612-V615 PolarHBondContact O-N 3.25Å; L612-Q616 HydrophobicContact CD1-CG 4.36Å; L612-Q616 HydrophobicContact CG-CG 4.32Å; L612-Q616 WeakPolarHBondContact O-CB 3.24Å; L612-Q616 VanDerWaalsContact O-CG 3.23Å; L612-Q616 WeakPolarHBondContact O-CG 3.18Å; L612-Q616 PolarHBondContact O-N 3.36Å; L612-L667 HydrophobicContact CB-CD1 4.49Å
613	V	87.6	Confident	86.2	Confident	22 Å²	22	46.2 Å²	46.2	13%	0.133	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-41	176.2	172.3	0	0	0	0	112	I524 T527 K528 E609 I610 I611 H617	I524-V613 HydrophobicContact CG1-CG2 4.24Å; I524-V613 HydrophobicContact CG2-CG2 4.06Å; T527-V613 HydrophobicContact CG2-CG1 4.21Å; K528-V613 HydrophobicContact CG-CG1 4.19Å; E609-V613 WeakPolarHBondContact O-CG2 3.31Å; E609-V613 PolarHBondContact O-N 3.49Å; I610-V613 PolarHBondContact O-N 3.43Å; I611-V613 VanDerWaalsContact C-N 3.28Å; I611-V613 PolarHBondContact O-N 3.4Å; V613-H617 PolarHBondContact O-N 2.81Å
614	A	86.3	Confident	86	Confident	7 Å²	7	49.6 Å²	49.6	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-43.6	176.1	0	0	0	0	0	111.9	F580 I611 H617 V618 L641	F580-A614 HydrophobicContact CD1-CB 4.04Å; F580-A614 HydrophobicContact CD2-CB 3.95Å; F580-A614 HydrophobicContact CE1-CB 3.77Å; F580-A614 HydrophobicContact CE2-CB 3.65Å; F580-A614 HydrophobicContact CG-CB 4.14Å; F580-A614 HydrophobicContact CZ-CB 3.57Å; I611-A614 PolarHBondContact O-N 3.05Å; I611-A614 VanDerWaalsContact O-N 3.13Å; A614-H617 PolarHBondContact O-N 2.9Å; A614-V618 WeakPolarHBondContact O-CG2 3.26Å; A614-V618 PolarHBondContact O-N 3.29Å; A614-V618 VanDerWaalsContact O-N 3.14Å; A614-L641 HydrophobicContact CB-CD1 4.49Å
615	V	85.1	Confident	85.8	Confident	35 Å²	35	51.4 Å²	51.4	21%	0.212	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-44.8	177.7	174.7	0	0	0	0	111.5	I611 L612 H617 V618 D619 T671	I611-V615 HydrophobicContact CG2-CG2 4.04Å; I611-V615 WeakPolarHBondContact O-CG2 3.29Å; I611-V615 PolarHBondContact O-N 2.89Å; L612-V615 PolarHBondContact O-N 3.25Å; V615-H617 VanDerWaalsContact C-N 3.31Å; V615-H617 PolarHBondContact O-N 3.29Å; V615-V618 PolarHBondContact O-N 3.42Å; V615-D619 WeakPolarHBondContact O-CB 3.49Å; V615-D619 PolarHBondContact O-N 2.94Å; V615-T671 HydrophobicContact CB-CG2 4.48Å; V615-T671 HydrophobicContact CG1-CG2 3.78Å; V615-T671 HydrophobicContact CG2-CG2 4.25Å
616	Q	85.8	Confident	85.3	Confident	109 Å²	109	56 Å²	56	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-38.2	177.9	-77	174.8	-11.8	0	0	112.3	L612 Y620	L612-Q616 HydrophobicContact CD1-CG 4.36Å; L612-Q616 HydrophobicContact CG-CG 4.32Å; L612-Q616 WeakPolarHBondContact O-CB 3.24Å; L612-Q616 VanDerWaalsContact O-CG 3.23Å; L612-Q616 WeakPolarHBondContact O-CG 3.18Å; L612-Q616 PolarHBondContact O-N 3.36Å; Q616-Y620 VanDerWaalsContact O-CB 3.23Å; Q616-Y620 WeakPolarHBondContact O-CB 3.43Å; Q616-Y620 PolarHBondContact O-N 2.99Å
617	H	85.2	Confident	85.1	Confident	31 Å²	31	58.8 Å²	58.8	14%	0.144	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-40.1	175.9	175.7	56	0	0	0	112.7	N531 W536 V613 A614 V615 S621	N531-H617 HydrophobicContact CB-CB 4.42Å; N531-H617 VanDerWaalsContact CG-CG 3.49Å; N531-H617 VanDerWaalsContact ND2-CB 3.31Å; N531-H617 WeakPolarHBondContact ND2-CB 3.34Å; N531-H617 PolarHBondContact O-CE1 3.46Å; N531-H617 PolarHBondContact OD1-CD2 3.02Å; W536-H617 AromaticContact CZ2-CD2 3.89Å; W536-H617 AromaticContact CZ2-NE2 3.58Å; V613-H617 PolarHBondContact O-N 2.81Å; A614-H617 PolarHBondContact O-N 2.9Å; V615-H617 VanDerWaalsContact C-N 3.31Å; V615-H617 PolarHBondContact O-N 3.29Å; H617-S621 VanDerWaalsContact O-CB 3.29Å; H617-S621 WeakPolarHBondContact O-CB 3.5Å; H617-S621 PolarHBondContact O-N 3.38Å; H617-S621 PolarHBondContact O-OG 2.96Å
618	V	84.8	Confident	84.6	Confident	10 Å²	10	63 Å²	63	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-47.4	175.5	170.7	0	0	0	0	111	W536 A614 V615 S621 L622 I634 A638 L641	W536-V618 HydrophobicContact CH2-CG2 3.95Å; A614-V618 WeakPolarHBondContact O-CG2 3.26Å; A614-V618 PolarHBondContact O-N 3.29Å; A614-V618 VanDerWaalsContact O-N 3.14Å; V615-V618 PolarHBondContact O-N 3.42Å; V618-S621 PolarHBondContact O-N 3.23Å; V618-L622 HydrophobicContact CG1-CD1 4.14Å; V618-L622 WeakPolarHBondContact O-CG 3.45Å; V618-L622 PolarHBondContact O-N 3.41Å; V618-I634 HydrophobicContact CG1-CG2 4.05Å; V618-A638 HydrophobicContact CG1-CB 3.62Å; V618-L641 HydrophobicContact CG2-CD1 3.97Å
619	D	82.6	Confident	84.3	Confident	64 Å²	64	64.2 Å²	64.2	34%	0.342	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-46.6	177.7	175	44.2	0	0	0	112.1	V615 S621 L622 R623	V615-D619 WeakPolarHBondContact O-CB 3.49Å; V615-D619 PolarHBondContact O-N 2.94Å; D619-S621 VanDerWaalsContact C-N 3.3Å; D619-S621 PolarHBondContact O-N 3.33Å; D619-L622 PolarHBondContact O-N 3.37Å; D619-R623 VanDerWaalsContact CG-NE 3.26Å; D619-R623 VanDerWaalsContact O-CG 3.3Å; D619-R623 WeakPolarHBondContact O-CG 3.35Å; D619-R623 PolarHBondContact O-N 3.14Å; D619-R623 IonicContact OD1-CZ 3.47Å; D619-R623 IonicContact OD1-NE 2.69Å; D619-R623 PolarHBondContact OD1-NE 2.93Å; D619-R623 IonicContact OD1-NH2 3.23Å; D619-R623 PolarHBondContact OD1-NH2 3.19Å; D619-R623 IonicContact OD2-CZ 3.06Å; D619-R623 IonicContact OD2-NE 3.31Å; D619-R623 PolarHBondContact OD2-NE 3.48Å; D619-R623 IonicContact OD2-NH2 2.78Å; D619-R623 PolarHBondContact OD2-NH2 3.36Å
620	Y	84.2	Confident	84	Confident	154 Å²	154	64.1 Å²	64.1	60%	0.604	32%	0.321	S	S	*	.	H	α-helix	trans	-56.7	-44.7	173	179.8	-96.2	0	0	0	111.8	Q616 L622 R623 C624	Q616-Y620 VanDerWaalsContact O-CB 3.23Å; Q616-Y620 WeakPolarHBondContact O-CB 3.43Å; Q616-Y620 PolarHBondContact O-N 2.99Å; Y620-L622 PolarHBondContact O-N 2.83Å; Y620-R623 PolarHBondContact O-N 3.1Å; Y620-C624 VanDerWaalsContact CZ-SG 3.52Å; Y620-C624 WeakPolarHBondContact O-CB 3.4Å; Y620-C624 PolarHBondContact O-N 3.21Å; Y620-C624 PolarHBondContact O-SG 3.36Å
621	S	83.8	Confident	83.7	Confident	12 Å²	12	67.6 Å²	67.6	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-40.6	178.3	-60.3	0	0	0	0	112.5	W536 H617 V618 D619 R623 C624 E625	W536-S621 VanDerWaalsContact NE1-CB 3.35Å; W536-S621 PolarHBondContact NE1-OG 3.38Å; W536-S621 VanDerWaalsContact NE1-OG 3.15Å; H617-S621 VanDerWaalsContact O-CB 3.29Å; H617-S621 WeakPolarHBondContact O-CB 3.5Å; H617-S621 PolarHBondContact O-N 3.38Å; H617-S621 PolarHBondContact O-OG 2.96Å; V618-S621 PolarHBondContact O-N 3.23Å; D619-S621 VanDerWaalsContact C-N 3.3Å; D619-S621 PolarHBondContact O-N 3.33Å; S621-R623 VanDerWaalsContact C-N 3.32Å; S621-R623 PolarHBondContact O-N 3.49Å; S621-C624 PolarHBondContact O-N 2.8Å; S621-E625 VanDerWaalsContact O-CB 3.26Å; S621-E625 WeakPolarHBondContact O-CB 3.5Å; S621-E625 PolarHBondContact O-N 2.8Å
622	L	82.8	Confident	83.4	Confident	36 Å²	36	70.6 Å²	70.6	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-36.7	175.2	-74.7	169.8	0	0	0	112.8	V618 D619 Y620 I634 L635	V618-L622 HydrophobicContact CG1-CD1 4.14Å; V618-L622 WeakPolarHBondContact O-CG 3.45Å; V618-L622 PolarHBondContact O-N 3.41Å; D619-L622 PolarHBondContact O-N 3.37Å; Y620-L622 PolarHBondContact O-N 2.83Å; L622-I634 HydrophobicContact CD1-CG2 4.39Å; L622-I634 HydrophobicContact CD2-CB 3.73Å; L622-I634 HydrophobicContact CD2-CG2 3.53Å; L622-I634 HydrophobicContact CG-CB 4.35Å; L622-I634 HydrophobicContact CG-CG2 3.58Å; L622-L635 HydrophobicContact CD1-CD2 4.07Å; L622-L635 HydrophobicContact CD2-CD2 3.96Å; L622-L635 HydrophobicContact CD2-CG 3.89Å
623	R	81.7	Confident	83.4	Confident	159 Å²	159	68.8 Å²	68.8	60%	0.6	35%	0.348	S	S	*	.	H	α-helix	trans	-72.9	-38.2	177.8	-67.1	172.1	-167.2	-140.7	7.2	112.6	D619 Y620 S621	D619-R623 VanDerWaalsContact CG-NE 3.26Å; D619-R623 VanDerWaalsContact O-CG 3.3Å; D619-R623 WeakPolarHBondContact O-CG 3.35Å; D619-R623 PolarHBondContact O-N 3.14Å; D619-R623 IonicContact OD1-CZ 3.47Å; D619-R623 IonicContact OD1-NE 2.69Å; D619-R623 PolarHBondContact OD1-NE 2.93Å; D619-R623 IonicContact OD1-NH2 3.23Å; D619-R623 PolarHBondContact OD1-NH2 3.19Å; D619-R623 IonicContact OD2-CZ 3.06Å; D619-R623 IonicContact OD2-NE 3.31Å; D619-R623 PolarHBondContact OD2-NE 3.48Å; D619-R623 IonicContact OD2-NH2 2.78Å; D619-R623 PolarHBondContact OD2-NH2 3.36Å; Y620-R623 PolarHBondContact O-N 3.1Å; S621-R623 VanDerWaalsContact C-N 3.32Å; S621-R623 PolarHBondContact O-N 3.49Å
624	C	82.5	Confident	83.2	Confident	72 Å²	72	67.8 Å²	67.8	49%	0.486	34%	0.341	S	S	.	.	H	α-helix	trans	-85.4	-30.9	-175.9	-70.8	0	0	0	0	114.4	Y620 S621	Y620-C624 VanDerWaalsContact CZ-SG 3.52Å; Y620-C624 WeakPolarHBondContact O-CB 3.4Å; Y620-C624 PolarHBondContact O-N 3.21Å; Y620-C624 PolarHBondContact O-SG 3.36Å; S621-C624 PolarHBondContact O-N 2.8Å
625	E	83.3	Confident	83.1	Confident	44 Å²	44	70.9 Å²	70.9	21%	0.206	36%	0.357	C	S	.	.			trans	-67.7	147.3	-179.4	-170.8	52.8	-96.8	0	0	111.2	S621 D627 K630 K631 I634	S621-E625 VanDerWaalsContact O-CB 3.26Å; S621-E625 WeakPolarHBondContact O-CB 3.5Å; S621-E625 PolarHBondContact O-N 2.8Å; E625-D627 HydrophobicContact CG-CB 4.33Å; E625-D627 WeakPolarHBondContact OE1-CB 3.34Å; E625-D627 PolarHBondContact OE1-N 3.07Å; E625-D627 VanDerWaalsContact OE1-N 3.13Å; E625-K630 HydrophobicContact CG-CB 3.88Å; E625-K630 HydrophobicContact CG-CD 4.25Å; E625-K630 IonicContact OE1-NZ 3.6Å; E625-K630 WeakPolarHBondContact OE2-CD 3.43Å; E625-K630 IonicContact OE2-NZ 3.07Å; E625-K630 PolarHBondContact OE2-NZ 3.04Å; E625-K630 VanDerWaalsContact OE2-NZ 3.07Å; E625-K631 HydrophobicContact CB-CG 4.39Å; E625-K631 HydrophobicContact CG-CG 4.33Å; E625-K631 WeakPolarHBondContact O-CE 3.43Å; E625-K631 PolarHBondContact O-NZ 3.25Å; E625-I634 HydrophobicContact CB-CD1 4.08Å; E625-I634 HydrophobicContact CG-CD1 4.14Å
626	Q	77.4	Confident	83.1	Confident	177 Å²	177	72 Å²	72	83%	0.827	36%	0.36	S	S	*	.			trans	-115.6	-24.8	176.2	-64.7	-168.9	2.8	0	0	112.2	S628	Q626-S628 PolarHBondContact O-N 3.41Å
627	D	84.1	Confident	83.1	Confident	66 Å²	66	66.9 Å²	66.9	35%	0.353	34%	0.336	S	S	.	.			trans	-68.3	125.1	178.1	-174.6	-17.3	0	0	0	112	E625 D629 K630 K631	E625-D627 HydrophobicContact CG-CB 4.33Å; E625-D627 WeakPolarHBondContact OE1-CB 3.34Å; E625-D627 PolarHBondContact OE1-N 3.07Å; E625-D627 VanDerWaalsContact OE1-N 3.13Å; D627-D629 PolarHBondContact OD1-N 3.37Å; D627-K630 HydrophobicContact CB-CB 4.11Å; D627-K630 HydrophobicContact CB-CD 3.97Å; D627-K630 HydrophobicContact CB-CG 4.08Å; D627-K630 VanDerWaalsContact OD2-CE 3.26Å; D627-K630 WeakPolarHBondContact OD2-CE 3.24Å; D627-K630 WeakPolarHBondContact OD2-CG 3.22Å; D627-K631 WeakPolarHBondContact O-CB 3.45Å; D627-K631 WeakPolarHBondContact O-CG 3.28Å; D627-K631 PolarHBondContact O-N 2.97Å
628	S	81	Confident	83	Confident	89 Å²	89	66.1 Å²	66.1	62%	0.622	34%	0.335	S	S	*	.	H	α-helix	trans	-65.8	-37.9	-179.6	-174.8	0	0	0	0	112.6	Q626 K631 S632	Q626-S628 PolarHBondContact O-N 3.41Å; S628-K631 PolarHBondContact O-N 3.16Å; S628-S632 PolarHBondContact O-N 3.37Å
629	D	80.4	Confident	83	Confident	124 Å²	124	67.3 Å²	67.3	66%	0.663	34%	0.343	S	S	*	.	H	α-helix	trans	-72.2	-41.7	-176.3	-72.8	-13.7	0	0	0	109.9	D627 S632 F633	D627-D629 PolarHBondContact OD1-N 3.37Å; D629-S632 PolarHBondContact O-N 3.13Å; D629-S632 PolarHBondContact O-OG 3.49Å; D629-F633 PolarHBondContact O-N 2.85Å; D629-F633 VanDerWaalsContact O-N 3.09Å
630	K	81.8	Confident	83.1	Confident	74 Å²	74	64.2 Å²	64.2	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-39.4	171.9	-64	-178.9	-156.1	162.6	0	112.6	E625 D627 S632 F633 I634	E625-K630 HydrophobicContact CG-CB 3.88Å; E625-K630 HydrophobicContact CG-CD 4.25Å; E625-K630 IonicContact OE1-NZ 3.6Å; E625-K630 WeakPolarHBondContact OE2-CD 3.43Å; E625-K630 IonicContact OE2-NZ 3.07Å; E625-K630 PolarHBondContact OE2-NZ 3.04Å; E625-K630 VanDerWaalsContact OE2-NZ 3.07Å; D627-K630 HydrophobicContact CB-CB 4.11Å; D627-K630 HydrophobicContact CB-CD 3.97Å; D627-K630 HydrophobicContact CB-CG 4.08Å; D627-K630 VanDerWaalsContact OD2-CE 3.26Å; D627-K630 WeakPolarHBondContact OD2-CE 3.24Å; D627-K630 WeakPolarHBondContact OD2-CG 3.22Å; K630-S632 VanDerWaalsContact C-N 3.28Å; K630-S632 PolarHBondContact O-N 2.69Å; K630-F633 CarbonylContact O-C 3.52Å; K630-F633 WeakPolarHBondContact O-CB 3.22Å; K630-F633 PolarHBondContact O-N 3.46Å; K630-I634 VanDerWaalsContact O-CG1 3.25Å; K630-I634 WeakPolarHBondContact O-CG1 3.4Å; K630-I634 PolarHBondContact O-N 3.15Å
631	K	83.1	Confident	83.1	Confident	74 Å²	74	57.5 Å²	57.5	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-55.8	-43.8	171.9	-84.1	178	176.2	166.9	0	111.8	E625 D627 S628 F633 I634 L635	E625-K631 HydrophobicContact CB-CG 4.39Å; E625-K631 HydrophobicContact CG-CG 4.33Å; E625-K631 WeakPolarHBondContact O-CE 3.43Å; E625-K631 PolarHBondContact O-NZ 3.25Å; D627-K631 WeakPolarHBondContact O-CB 3.45Å; D627-K631 WeakPolarHBondContact O-CG 3.28Å; D627-K631 PolarHBondContact O-N 2.97Å; S628-K631 PolarHBondContact O-N 3.16Å; K631-F633 VanDerWaalsContact C-N 3.3Å; K631-F633 PolarHBondContact O-N 3.42Å; K631-I634 PolarHBondContact O-N 2.56Å; K631-L635 WeakPolarHBondContact O-CB 2.85Å; K631-L635 VanDerWaalsContact O-CG 3.28Å; K631-L635 WeakPolarHBondContact O-CG 3.38Å; K631-L635 PolarHBondContact O-N 2.67Å
632	S	82.6	Confident	83	Confident	72 Å²	72	57.9 Å²	57.9	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-39	175.6	84.3	0	0	0	0	112.3	S628 D629 K630 L635 Q636	S628-S632 PolarHBondContact O-N 3.37Å; D629-S632 PolarHBondContact O-N 3.13Å; D629-S632 PolarHBondContact O-OG 3.49Å; K630-S632 VanDerWaalsContact C-N 3.28Å; K630-S632 PolarHBondContact O-N 2.69Å; S632-L635 PolarHBondContact O-N 2.78Å; S632-Q636 PolarHBondContact O-N 3.23Å
633	F	85.2	Confident	82.9	Confident	14 Å²	14	60.4 Å²	60.4	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-70.7	-40.8	176.9	-175	-110.6	0	0	0	112.9	W536 R538 N572 D629 K630 K631 L635 Q636 N637	W536-F633 VanDerWaalsContact C-CE1 3.48Å; W536-F633 HydrophobicContact CB-CD1 4.27Å; W536-F633 VanDerWaalsContact O-CD1 3.3Å; W536-F633 WeakPolarHBondContact O-CD1 3.29Å; R538-F633 HydrophobicContact CG-CD2 4.33Å; R538-F633 HydrophobicContact CG-CE2 3.65Å; R538-F633 HydrophobicContact CG-CZ 4.07Å; N572-F633 WeakPolarHBondContact O-CE2 3.44Å; D629-F633 PolarHBondContact O-N 2.85Å; D629-F633 VanDerWaalsContact O-N 3.09Å; K630-F633 CarbonylContact O-C 3.52Å; K630-F633 WeakPolarHBondContact O-CB 3.22Å; K630-F633 PolarHBondContact O-N 3.46Å; K631-F633 VanDerWaalsContact C-N 3.3Å; K631-F633 PolarHBondContact O-N 3.42Å; F633-L635 VanDerWaalsContact C-N 3.32Å; F633-L635 PolarHBondContact O-N 3.36Å; F633-Q636 WeakPolarHBondContact O-CB 3.45Å; F633-Q636 PolarHBondContact O-N 3.29Å; F633-N637 WeakPolarHBondContact CE1-ND2 3.48Å; F633-N637 WeakPolarHBondContact CZ-ND2 3.25Å; F633-N637 PolarHBondContact O-N 3.39Å; F633-N637 PolarHBondContact O-ND2 3.46Å
634	I	84.1	Confident	83	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-40.4	174.9	-59.5	159.4	0	0	0	109.8	W536 V618 L622 E625 K630 K631 Q636 N637 A638	W536-I634 HydrophobicContact CB-CG1 4.1Å; W536-I634 HydrophobicContact CD2-CD1 4.3Å; W536-I634 HydrophobicContact CD2-CG1 3.56Å; W536-I634 HydrophobicContact CE3-CG1 3.86Å; W536-I634 HydrophobicContact CG-CD1 4.03Å; W536-I634 HydrophobicContact CG-CG1 3.65Å; W536-I634 HydrophobicContact CH2-CG2 4.39Å; W536-I634 HydrophobicContact CZ2-CG2 4.37Å; W536-I634 HydrophobicContact CZ3-CG2 4.47Å; V618-I634 HydrophobicContact CG1-CG2 4.05Å; L622-I634 HydrophobicContact CD1-CG2 4.39Å; L622-I634 HydrophobicContact CD2-CB 3.73Å; L622-I634 HydrophobicContact CD2-CG2 3.53Å; L622-I634 HydrophobicContact CG-CB 4.35Å; L622-I634 HydrophobicContact CG-CG2 3.58Å; E625-I634 HydrophobicContact CB-CD1 4.08Å; E625-I634 HydrophobicContact CG-CD1 4.14Å; K630-I634 VanDerWaalsContact O-CG1 3.25Å; K630-I634 WeakPolarHBondContact O-CG1 3.4Å; K630-I634 PolarHBondContact O-N 3.15Å; K631-I634 PolarHBondContact O-N 2.56Å; I634-Q636 PolarHBondContact O-N 3.18Å; I634-N637 PolarHBondContact O-N 3.4Å; I634-A638 WeakPolarHBondContact O-CB 3.46Å; I634-A638 PolarHBondContact O-N 3.49Å
635	L	84.1	Confident	83.1	Confident	73 Å²	73	50.7 Å²	50.7	38%	0.382	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-37.5	173.6	-72.8	170.8	0	0	0	112.8	L622 K631 S632 F633 N637 A638 S639	L622-L635 HydrophobicContact CD1-CD2 4.07Å; L622-L635 HydrophobicContact CD2-CD2 3.96Å; L622-L635 HydrophobicContact CD2-CG 3.89Å; K631-L635 WeakPolarHBondContact O-CB 2.85Å; K631-L635 VanDerWaalsContact O-CG 3.28Å; K631-L635 WeakPolarHBondContact O-CG 3.38Å; K631-L635 PolarHBondContact O-N 2.67Å; S632-L635 PolarHBondContact O-N 2.78Å; F633-L635 VanDerWaalsContact C-N 3.32Å; F633-L635 PolarHBondContact O-N 3.36Å; L635-N637 VanDerWaalsContact C-N 3.34Å; L635-A638 WeakPolarHBondContact O-CB 3.36Å; L635-A638 PolarHBondContact O-N 2.88Å; L635-S639 PolarHBondContact O-N 3.07Å; L635-S639 PolarHBondContact O-OG 2.81Å
636	Q	84.2	Confident	83.1	Confident	59 Å²	59	48.9 Å²	48.9	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-64	-38.2	173.2	-176.2	174	19	0	0	112.2	S632 F633 I634 S639 F640	S632-Q636 PolarHBondContact O-N 3.23Å; F633-Q636 WeakPolarHBondContact O-CB 3.45Å; F633-Q636 PolarHBondContact O-N 3.29Å; I634-Q636 PolarHBondContact O-N 3.18Å; Q636-S639 PolarHBondContact O-OG 3.4Å; Q636-F640 PolarHBondContact O-N 2.92Å; Q636-F640 VanDerWaalsContact O-N 3.14Å
637	N	85.6	Confident	83.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-71	-37	174.6	-78.3	-87.1	0	0	0	112	W536 L573 S574 V577 F633 I634 L635 F640 L641	W536-N637 HydrophobicContact CZ3-CB 3.93Å; L573-N637 WeakPolarHBondContact CA-OD1 3.44Å; L573-N637 WeakPolarHBondContact CD2-OD1 3.34Å; S574-N637 PolarHBondContact N-OD1 3.32Å; V577-N637 HydrophobicContact CG2-CB 4.14Å; F633-N637 WeakPolarHBondContact CE1-ND2 3.48Å; F633-N637 WeakPolarHBondContact CZ-ND2 3.25Å; F633-N637 PolarHBondContact O-N 3.39Å; F633-N637 PolarHBondContact O-ND2 3.46Å; I634-N637 PolarHBondContact O-N 3.4Å; L635-N637 VanDerWaalsContact C-N 3.34Å; N637-F640 PolarHBondContact O-N 3.06Å; N637-L641 PolarHBondContact O-N 3.44Å; N637-L641 VanDerWaalsContact O-N 3.1Å
638	A	84.5	Confident	83.6	Confident	16 Å²	16	38.4 Å²	38.4	13%	0.132	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-45.4	174.4	0	0	0	0	0	111.9	V618 I634 L635 L641 H642	V618-A638 HydrophobicContact CG1-CB 3.62Å; I634-A638 WeakPolarHBondContact O-CB 3.46Å; I634-A638 PolarHBondContact O-N 3.49Å; L635-A638 WeakPolarHBondContact O-CB 3.36Å; L635-A638 PolarHBondContact O-N 2.88Å; A638-L641 PolarHBondContact O-N 3.24Å; A638-H642 WeakPolarHBondContact O-CB 3.35Å; A638-H642 PolarHBondContact O-N 2.91Å
639	S	84.4	Confident	83.8	Confident	34 Å²	34	34.2 Å²	34.2	24%	0.238	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-35.8	176.5	66	0	0	0	0	112.2	L635 Q636 L641 H642 D643	L635-S639 PolarHBondContact O-N 3.07Å; L635-S639 PolarHBondContact O-OG 2.81Å; Q636-S639 PolarHBondContact O-OG 3.4Å; S639-L641 PolarHBondContact O-N 3.13Å; S639-H642 PolarHBondContact O-N 3.18Å; S639-D643 WeakPolarHBondContact O-CA 3.28Å; S639-D643 VanDerWaalsContact O-CB 3.24Å; S639-D643 WeakPolarHBondContact O-CB 3.06Å; S639-D643 PolarHBondContact O-N 3.19Å
640	F	85	Confident	84.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-59.9	-46.7	171.9	177.8	-106.8	0	0	0	112.3	I559 F561 Y564 L573 V577 T581 Q636 N637 T644 V645	I559-F640 HydrophobicContact CG2-CE2 4.04Å; I559-F640 HydrophobicContact CG2-CZ 4.09Å; F561-F640 HydrophobicContact CD2-CE2 4.17Å; F561-F640 HydrophobicContact CD2-CZ 4.11Å; F561-F640 HydrophobicContact CE2-CE2 4.31Å; F561-F640 AromaticContact CE2-CZ 3.97Å; F561-F640 HydrophobicContact CE2-CZ 3.97Å; Y564-F640 HydrophobicContact CD1-CB 4.43Å; Y564-F640 HydrophobicContact CD1-CD2 4.16Å; Y564-F640 AromaticContact CD2-CD2 3.75Å; Y564-F640 HydrophobicContact CD2-CD2 3.75Å; Y564-F640 HydrophobicContact CD2-CE2 4.03Å; Y564-F640 HydrophobicContact CE1-CB 3.91Å; Y564-F640 AromaticContact CE1-CD2 3.99Å; Y564-F640 HydrophobicContact CE1-CD2 3.99Å; Y564-F640 HydrophobicContact CE1-CG 4.37Å; Y564-F640 AromaticContact CE2-CD2 3.57Å; Y564-F640 HydrophobicContact CE2-CD2 3.57Å; Y564-F640 HydrophobicContact CE2-CE2 4.14Å; Y564-F640 HydrophobicContact CG-CD2 4.05Å; Y564-F640 HydrophobicContact CG-CE2 4.49Å; Y564-F640 AromaticContact CZ-CD2 3.69Å; L573-F640 HydrophobicContact CD1-CD1 3.74Å; L573-F640 HydrophobicContact CD1-CD2 3.92Å; L573-F640 HydrophobicContact CD1-CE1 3.82Å; L573-F640 HydrophobicContact CD1-CE2 4Å; L573-F640 HydrophobicContact CD1-CG 3.78Å; L573-F640 HydrophobicContact CD1-CZ 3.95Å; L573-F640 HydrophobicContact CD2-CB 3.71Å; L573-F640 HydrophobicContact CD2-CD1 4.16Å; L573-F640 HydrophobicContact CD2-CG 3.9Å; V577-F640 HydrophobicContact CG1-CD1 3.66Å; V577-F640 HydrophobicContact CG1-CE1 4.11Å; T581-F640 HydrophobicContact CG2-CE1 4.42Å; T581-F640 HydrophobicContact CG2-CZ 4.48Å; Q636-F640 PolarHBondContact O-N 2.92Å; Q636-F640 VanDerWaalsContact O-N 3.14Å; N637-F640 PolarHBondContact O-N 3.06Å; F640-T644 HydrophobicContact CD2-CG2 4.22Å; F640-T644 HydrophobicContact CE2-CG2 3.92Å; F640-T644 WeakPolarHBondContact O-CA 3.45Å; F640-T644 WeakPolarHBondContact O-CB 3.41Å; F640-T644 PolarHBondContact O-N 3.49Å; F640-V645 HydrophobicContact CD1-CG2 3.92Å; F640-V645 HydrophobicContact CE1-CG2 3.5Å; F640-V645 VanDerWaalsContact CE1-CG2 3.5Å; F640-V645 HydrophobicContact CZ-CG2 3.84Å; F640-V645 PolarHBondContact O-N 3.02Å
641	L	84.5	Confident	84.3	Confident	12 Å²	12	31.7 Å²	31.7	6%	0.063	17%	0.165	C	C	.	.	I	π-helix	trans	-63.2	-44.8	177.1	-72	173.3	0	0	0	112.6	V577 F580 A614 V618 N637 A638 S639 V645 L646	V577-L641 HydrophobicContact CG1-CD1 4.49Å; V577-L641 HydrophobicContact CG1-CD2 4.05Å; V577-L641 HydrophobicContact CG1-CG 4.05Å; V577-L641 HydrophobicContact CG2-CD1 4.4Å; F580-L641 HydrophobicContact CD1-CD2 3.82Å; F580-L641 HydrophobicContact CE1-CD2 3.97Å; A614-L641 HydrophobicContact CB-CD1 4.49Å; V618-L641 HydrophobicContact CG2-CD1 3.97Å; N637-L641 PolarHBondContact O-N 3.44Å; N637-L641 VanDerWaalsContact O-N 3.1Å; A638-L641 PolarHBondContact O-N 3.24Å; S639-L641 PolarHBondContact O-N 3.13Å; L641-V645 HydrophobicContact CD2-CB 4.42Å; L641-V645 HydrophobicContact CD2-CG2 4.23Å; L641-L646 WeakPolarHBondContact O-CB 3.27Å; L641-L646 PolarHBondContact O-N 3.39Å
642	H	81.1	Confident	84.3	Confident	20 Å²	20	31.7 Å²	31.7	9%	0.093	16%	0.163	C	C	.	.	I	π-helix	trans	-78.7	-43.1	-175.8	175.8	-85.5	0	0	0	114.3	A638 S639 P647 R668 T671	A638-H642 WeakPolarHBondContact O-CB 3.35Å; A638-H642 PolarHBondContact O-N 2.91Å; S639-H642 PolarHBondContact O-N 3.18Å; H642-P647 VanDerWaalsContact O-CD 3.3Å; H642-P647 WeakPolarHBondContact O-CD 3.17Å; H642-R668 PolarHBondContact NE2-O 3.5Å; H642-R668 VanDerWaalsContact NE2-O 3.16Å; H642-T671 PolarHBondContact CD2-O 2.57Å; H642-T671 VanDerWaalsContact CD2-O 3.32Å
643	D	80.8	Confident	84.5	Confident	89 Å²	89	28.3 Å²	28.3	48%	0.476	14%	0.139	S	C	.	.	I	π-helix	trans	-94.9	-20.2	-172.9	-59.1	-39.3	0	0	0	113.1	S639 P647	S639-D643 WeakPolarHBondContact O-CA 3.28Å; S639-D643 VanDerWaalsContact O-CB 3.24Å; S639-D643 WeakPolarHBondContact O-CB 3.06Å; S639-D643 PolarHBondContact O-N 3.19Å; D643-P647 WeakPolarHBondContact O-CG 3.08Å
644	T	83.2	Confident	84.5	Confident	23 Å²	23	30.6 Å²	30.6	14%	0.141	15%	0.15	C	C	.	.	I	π-helix	trans	-115.4	-54.2	-178.3	-46.6	0	0	0	0	113.1	I559 Y564 F640 V648	I559-T644 HydrophobicContact CG2-CG2 3.85Å; Y564-T644 PolarHBondContact OH-OG1 2.93Å; F640-T644 HydrophobicContact CD2-CG2 4.22Å; F640-T644 HydrophobicContact CE2-CG2 3.92Å; F640-T644 WeakPolarHBondContact O-CA 3.45Å; F640-T644 WeakPolarHBondContact O-CB 3.41Å; F640-T644 PolarHBondContact O-N 3.49Å; T644-V648 VanDerWaalsContact O-CG2 3.22Å; T644-V648 WeakPolarHBondContact O-CG2 3.46Å; T644-V648 PolarHBondContact O-N 3.38Å
645	V	84.7	Confident	84.5	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.03	18%	0.178	C	C	.	.	I	π-helix	trans	-73.6	-53.3	-174.1	-177.5	0	0	0	0	111.8	T581 F640 L641 V648 V649	T581-V645 HydrophobicContact CG2-CG1 4.23Å; T581-V645 HydrophobicContact CG2-CG2 3.8Å; F640-V645 HydrophobicContact CD1-CG2 3.92Å; F640-V645 HydrophobicContact CE1-CG2 3.5Å; F640-V645 VanDerWaalsContact CE1-CG2 3.5Å; F640-V645 HydrophobicContact CZ-CG2 3.84Å; F640-V645 PolarHBondContact O-N 3.02Å; L641-V645 HydrophobicContact CD2-CB 4.42Å; L641-V645 HydrophobicContact CD2-CG2 4.23Å; V645-V648 PolarHBondContact O-N 2.89Å; V645-V648 VanDerWaalsContact O-N 3.14Å; V645-V649 HydrophobicContact CG1-CG2 4.32Å; V645-V649 WeakPolarHBondContact O-CG2 3.41Å; V645-V649 PolarHBondContact O-N 3.43Å
646	L	84.2	Confident	84.3	Confident	5 Å²	5	36 Å²	36	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-52.3	-49.2	179	-102.4	158.2	0	0	0	113.2	I611 L641 V648 V649 E650 L667 R668	I611-L646 HydrophobicContact CD1-CD2 3.94Å; I611-L646 HydrophobicContact CG2-CD1 4.17Å; I611-L646 HydrophobicContact CG2-CD2 4.24Å; I611-L646 HydrophobicContact CG2-CG 4.21Å; L641-L646 WeakPolarHBondContact O-CB 3.27Å; L641-L646 PolarHBondContact O-N 3.39Å; L646-V648 VanDerWaalsContact C-N 3.32Å; L646-V648 PolarHBondContact O-N 3.22Å; L646-V649 PolarHBondContact O-N 3.01Å; L646-E650 WeakPolarHBondContact O-CG 3.47Å; L646-E650 PolarHBondContact O-N 2.96Å; L646-L667 HydrophobicContact CD1-CD2 3.97Å; L646-L667 HydrophobicContact CD2-CD2 3.88Å; L646-R668 HydrophobicContact CD2-CB 4.48Å
647	P	85.1	Confident	84.2	Confident	14 Å²	14	34.1 Å²	34.1	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-71.1	-24.1	-179.2	-21.5	36.8	0	0	0	113.8	H642 D643 R651	H642-P647 VanDerWaalsContact O-CD 3.3Å; H642-P647 WeakPolarHBondContact O-CD 3.17Å; D643-P647 WeakPolarHBondContact O-CG 3.08Å; P647-R651 VanDerWaalsContact O-CB 3.27Å; P647-R651 WeakPolarHBondContact O-CB 3.49Å; P647-R651 PolarHBondContact O-N 2.67Å
648	V	86.2	Confident	83.7	Confident	10 Å²	10	37.4 Å²	37.4	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-75.3	-41.4	173.1	169.7	0	0	0	0	110.6	C557 I559 M585 T644 V645 L646 R651 R652	C557-V648 WeakPolarHBondContact O-CG1 3.42Å; I559-V648 HydrophobicContact CG1-CB 4.33Å; I559-V648 HydrophobicContact CG1-CG1 4.02Å; I559-V648 HydrophobicContact CG1-CG2 4.23Å; M585-V648 HydrophobicContact CE-CG1 4.1Å; M585-V648 HydrophobicContact SD-CG1 4.26Å; T644-V648 VanDerWaalsContact O-CG2 3.22Å; T644-V648 WeakPolarHBondContact O-CG2 3.46Å; T644-V648 PolarHBondContact O-N 3.38Å; V645-V648 PolarHBondContact O-N 2.89Å; V645-V648 VanDerWaalsContact O-N 3.14Å; L646-V648 VanDerWaalsContact C-N 3.32Å; L646-V648 PolarHBondContact O-N 3.22Å; V648-R651 PolarHBondContact O-N 3.28Å; V648-R652 HydrophobicContact CG1-CG 4.29Å; V648-R652 WeakPolarHBondContact O-CB 3.32Å; V648-R652 WeakPolarHBondContact O-CG 3.35Å; V648-R652 PolarHBondContact O-N 2.94Å
649	V	86.1	Confident	83.2	Confident	1 Å²	1	42 Å²	42	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-47.6	172.8	172.2	0	0	0	0	110.9	M584 M585 L588 V645 L646 F653 L664	M584-V649 HydrophobicContact CE-CG1 3.7Å; M584-V649 HydrophobicContact CE-CG2 4.04Å; M584-V649 HydrophobicContact CG-CG2 4.16Å; M585-V649 HydrophobicContact SD-CG2 3.86Å; L588-V649 HydrophobicContact CD2-CB 4.35Å; L588-V649 HydrophobicContact CD2-CG1 4.14Å; L588-V649 HydrophobicContact CD2-CG2 4.35Å; V645-V649 HydrophobicContact CG1-CG2 4.32Å; V645-V649 WeakPolarHBondContact O-CG2 3.41Å; V645-V649 PolarHBondContact O-N 3.43Å; L646-V649 PolarHBondContact O-N 3.01Å; V649-F653 VanDerWaalsContact O-CB 3.31Å; V649-F653 WeakPolarHBondContact O-CB 3.26Å; V649-F653 PolarHBondContact O-N 2.9Å; V649-L664 HydrophobicContact CG1-CD1 4.08Å
650	E	85.1	Confident	82.5	Confident	11 Å²	11	44 Å²	44	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-53.4	-55.7	173.5	-75.4	172.7	168.4	0	0	110.8	L646 R652 F653 E654 L664 Q665 R668	L646-E650 WeakPolarHBondContact O-CG 3.47Å; L646-E650 PolarHBondContact O-N 2.96Å; E650-R652 PolarHBondContact O-N 2.96Å; E650-F653 PolarHBondContact O-N 3.47Å; E650-E654 WeakPolarHBondContact O-CB 3.2Å; E650-E654 VanDerWaalsContact O-CG 3.31Å; E650-E654 WeakPolarHBondContact O-CG 3.39Å; E650-E654 PolarHBondContact O-N 2.58Å; E650-L664 HydrophobicContact CG-CB 3.94Å; E650-Q665 WeakPolarHBondContact OE1-CA 3.46Å; E650-Q665 PolarHBondContact OE1-N 3.41Å; E650-R668 WeakPolarHBondContact OE1-CB 3.44Å; E650-R668 WeakPolarHBondContact OE1-CD 3.5Å; E650-R668 VanDerWaalsContact OE2-CD 3.27Å; E650-R668 WeakPolarHBondContact OE2-CD 3.06Å; E650-R668 IonicContact OE2-CZ 3.55Å; E650-R668 IonicContact OE2-NE 2.76Å; E650-R668 IonicContact OE2-NH1 3.72Å; E650-R668 PolarHBondContact OE2-NH1 2.89Å
651	R	85.9	Confident	82.1	Confident	134 Å²	134	44 Å²	44	51%	0.506	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-47.8	-176.7	-170.2	-170.1	-58.4	129.3	6.7	112.4	P647 V648 F653 E654 E655	P647-R651 VanDerWaalsContact O-CB 3.27Å; P647-R651 WeakPolarHBondContact O-CB 3.49Å; P647-R651 PolarHBondContact O-N 2.67Å; V648-R651 PolarHBondContact O-N 3.28Å; R651-F653 VanDerWaalsContact C-N 3.31Å; R651-F653 PolarHBondContact O-N 2.99Å; R651-E654 PolarHBondContact O-N 3.49Å; R651-E655 WeakPolarHBondContact CD-OE1 3.41Å; R651-E655 HydrophobicContact CG-CG 4.19Å; R651-E655 VanDerWaalsContact CG-OE1 3.26Å; R651-E655 WeakPolarHBondContact CG-OE1 3.44Å; R651-E655 WeakPolarHBondContact O-CB 3.31Å; R651-E655 VanDerWaalsContact O-CG 3.28Å; R651-E655 WeakPolarHBondContact O-CG 3.43Å; R651-E655 PolarHBondContact O-N 3.09Å
652	R	84.4	Confident	81.5	Confident	74 Å²	74	50.3 Å²	50.3	28%	0.279	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-36.1	-179.4	-75.4	-67.2	-167.3	102.6	3.6	112.1	S556 C557 M585 L588 E589 V648 E650 A656	S556-R652 PolarHBondContact O-NH2 3.06Å; C557-R652 VanDerWaalsContact C-NH2 3.28Å; C557-R652 PolarHBondContact O-NH2 2.88Å; M585-R652 HydrophobicContact CE-CG 4.39Å; L588-R652 HydrophobicContact CD2-CB 3.81Å; E589-R652 IonicContact OE1-NH1 2.89Å; V648-R652 HydrophobicContact CG1-CG 4.29Å; V648-R652 WeakPolarHBondContact O-CB 3.32Å; V648-R652 WeakPolarHBondContact O-CG 3.35Å; V648-R652 PolarHBondContact O-N 2.94Å; E650-R652 PolarHBondContact O-N 2.96Å; R652-A656 WeakPolarHBondContact O-CB 3.45Å; R652-A656 PolarHBondContact O-N 3.43Å
653	F	85.4	Confident	81.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-46	172.9	-174.9	-82.4	0	0	0	111.3	L588 L592 H600 L603 L604 L607 V649 E650 R651 A656 V657 A661	L588-F653 HydrophobicContact CD1-CB 4.3Å; L588-F653 HydrophobicContact CD1-CD2 4.21Å; L592-F653 HydrophobicContact CD2-CD2 4.29Å; H600-F653 AromaticContact CE1-CE1 3.66Å; H600-F653 AromaticContact CE1-CZ 3.72Å; H600-F653 AromaticContact ND1-CZ 3.85Å; L603-F653 HydrophobicContact CD2-CD2 4.47Å; L603-F653 HydrophobicContact CD2-CE2 3.96Å; L603-F653 HydrophobicContact CG-CE2 4.15Å; L604-F653 HydrophobicContact CB-CE2 4.4Å; L604-F653 HydrophobicContact CB-CZ 4.12Å; L604-F653 HydrophobicContact CD1-CE1 3.85Å; L604-F653 HydrophobicContact CD1-CZ 3.8Å; L604-F653 HydrophobicContact CG-CZ 4.32Å; L607-F653 HydrophobicContact CD1-CD2 3.78Å; L607-F653 HydrophobicContact CD1-CE2 4.09Å; V649-F653 VanDerWaalsContact O-CB 3.31Å; V649-F653 WeakPolarHBondContact O-CB 3.26Å; V649-F653 PolarHBondContact O-N 2.9Å; E650-F653 PolarHBondContact O-N 3.47Å; R651-F653 VanDerWaalsContact C-N 3.31Å; R651-F653 PolarHBondContact O-N 2.99Å; F653-A656 PolarHBondContact O-N 3.26Å; F653-V657 HydrophobicContact CD1-CB 4.37Å; F653-V657 HydrophobicContact CD1-CG2 4.23Å; F653-V657 HydrophobicContact CD2-CG2 4.43Å; F653-V657 HydrophobicContact CE1-CB 4.18Å; F653-V657 HydrophobicContact CE1-CG1 4.25Å; F653-V657 HydrophobicContact CE1-CG2 4.06Å; F653-V657 HydrophobicContact CE2-CG2 4.26Å; F653-V657 HydrophobicContact CG-CG2 4.43Å; F653-V657 HydrophobicContact CZ-CG2 4.07Å; F653-V657 VanDerWaalsContact O-CB 3.24Å; F653-V657 WeakPolarHBondContact O-CB 3.07Å; F653-V657 WeakPolarHBondContact O-CG2 3.26Å; F653-V657 PolarHBondContact O-N 3.28Å; F653-A661 HydrophobicContact CD1-CB 3.74Å; F653-A661 HydrophobicContact CE1-CB 4.11Å; F653-A661 HydrophobicContact CG-CB 4.49Å
654	E	86	Confident	80.9	Confident	62 Å²	62	47.6 Å²	47.6	29%	0.29	25%	0.25	S	S	.	.	H	α-helix	trans	-65.8	-39.1	179.6	-70.5	-177.3	175.1	0	0	112.8	E650 R651 G658 P660 A661 Q665	E650-E654 WeakPolarHBondContact O-CB 3.2Å; E650-E654 VanDerWaalsContact O-CG 3.31Å; E650-E654 WeakPolarHBondContact O-CG 3.39Å; E650-E654 PolarHBondContact O-N 2.58Å; R651-E654 PolarHBondContact O-N 3.49Å; E654-G658 WeakPolarHBondContact O-CA 3.43Å; E654-G658 PolarHBondContact O-N 3.38Å; E654-P660 VanDerWaalsContact OE1-CA 3.32Å; E654-P660 WeakPolarHBondContact OE1-CA 3.3Å; E654-A661 HydrophobicContact CG-CB 4.3Å; E654-A661 PolarHBondContact OE1-N 3.21Å; E654-Q665 PolarHBondContact OE1-NE2 3.35Å
655	E	84.8	Confident	80.5	Confident	126 Å²	126	49.2 Å²	49.2	59%	0.589	26%	0.256	S	S	*	.	H	α-helix	trans	-61.7	-42.3	174	-77.1	169	177	0	0	112.2	R651	R651-E655 WeakPolarHBondContact CD-OE1 3.41Å; R651-E655 HydrophobicContact CG-CG 4.19Å; R651-E655 VanDerWaalsContact CG-OE1 3.26Å; R651-E655 WeakPolarHBondContact CG-OE1 3.44Å; R651-E655 WeakPolarHBondContact O-CB 3.31Å; R651-E655 VanDerWaalsContact O-CG 3.28Å; R651-E655 WeakPolarHBondContact O-CG 3.43Å; R651-E655 PolarHBondContact O-N 3.09Å
656	A	79.9	Confident	80.1	Confident	61 Å²	61	52.8 Å²	52.8	50%	0.504	28%	0.275	S	S	.	.	H	α-helix	trans	-81.6	-30.7	-177.4	0	0	0	0	0	113.8	L592 R652 F653	L592-A656 HydrophobicContact CD1-CB 3.73Å; L592-A656 HydrophobicContact CD2-CB 3.72Å; L592-A656 HydrophobicContact CG-CB 4.2Å; R652-A656 WeakPolarHBondContact O-CB 3.45Å; R652-A656 PolarHBondContact O-N 3.43Å; F653-A656 PolarHBondContact O-N 3.26Å
657	V	81.1	Confident	79.5	Confident	20 Å²	20	52.8 Å²	52.8	12%	0.121	28%	0.275	C	S	.	.	H	α-helix	trans	-102.2	-21.7	-173.4	177	0	0	0	0	113	L592 Y595 F653 K659	L592-V657 HydrophobicContact CD2-CG2 3.81Å; Y595-V657 HydrophobicContact CD1-CG2 4.35Å; Y595-V657 HydrophobicContact CD2-CG2 4.01Å; Y595-V657 HydrophobicContact CE1-CG1 4.08Å; Y595-V657 HydrophobicContact CE1-CG2 4.21Å; Y595-V657 HydrophobicContact CE2-CG1 4.01Å; Y595-V657 HydrophobicContact CE2-CG2 3.85Å; Y595-V657 HydrophobicContact CG-CG2 4.27Å; Y595-V657 VanDerWaalsContact OH-CG1 3.29Å; Y595-V657 WeakPolarHBondContact OH-CG1 3.48Å; F653-V657 HydrophobicContact CD1-CB 4.37Å; F653-V657 HydrophobicContact CD1-CG2 4.23Å; F653-V657 HydrophobicContact CD2-CG2 4.43Å; F653-V657 HydrophobicContact CE1-CB 4.18Å; F653-V657 HydrophobicContact CE1-CG1 4.25Å; F653-V657 HydrophobicContact CE1-CG2 4.06Å; F653-V657 HydrophobicContact CE2-CG2 4.26Å; F653-V657 HydrophobicContact CG-CG2 4.43Å; F653-V657 HydrophobicContact CZ-CG2 4.07Å; F653-V657 VanDerWaalsContact O-CB 3.24Å; F653-V657 WeakPolarHBondContact O-CB 3.07Å; F653-V657 WeakPolarHBondContact O-CG2 3.26Å; F653-V657 PolarHBondContact O-N 3.28Å; V657-K659 HydrophobicContact CG1-CB 4.14Å; V657-K659 HydrophobicContact CG1-CG 4.44Å; V657-K659 PolarHBondContact O-N 3.44Å
658	G	74.9	Confident	78.8	Confident	69 Å²	69	56.4 Å²	56.4	71%	0.711	29%	0.287	S	S	*	.	S	Bend	trans	67.6	13.5	-177.1	0	0	0	0	0	114.6	E654	E654-G658 WeakPolarHBondContact O-CA 3.43Å; E654-G658 PolarHBondContact O-N 3.38Å
659	K	74.9	Confident	78	Confident	112 Å²	112	61.8 Å²	61.8	49%	0.487	31%	0.31	S	S	.	.	S	Bend	trans	-129.9	139.2	178.4	-63.7	179.8	-179.9	175.3	0	110.7	V657	V657-K659 HydrophobicContact CG1-CB 4.14Å; V657-K659 HydrophobicContact CG1-CG 4.44Å; V657-K659 PolarHBondContact O-N 3.44Å
660	P	69.9	Low	77	Confident	75 Å²	75	66.1 Å²	66.1	49%	0.487	34%	0.34	S	S	.	.			trans	-67.2	133.4	-177.1	27.2	-34.8	0	0	0	112.3	E654 K662	E654-P660 VanDerWaalsContact OE1-CA 3.32Å; E654-P660 WeakPolarHBondContact OE1-CA 3.3Å; P660-K662 VanDerWaalsContact C-N 3.28Å; P660-K662 PolarHBondContact O-N 2.83Å
661	A	74.8	Confident	75.7	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.346	C	S	.	.			trans	-82.5	65.6	-174.1	0	0	0	0	0	112.1	L604 F653 E654 Q663 L664 Q665	L604-A661 HydrophobicContact CD1-CB 4.12Å; F653-A661 HydrophobicContact CD1-CB 3.74Å; F653-A661 HydrophobicContact CE1-CB 4.11Å; F653-A661 HydrophobicContact CG-CB 4.49Å; E654-A661 HydrophobicContact CG-CB 4.3Å; E654-A661 PolarHBondContact OE1-N 3.21Å; A661-Q663 PolarHBondContact O-N 3.12Å; A661-Q663 VanDerWaalsContact O-N 3.14Å; A661-L664 HydrophobicContact CB-CB 4.05Å; A661-L664 HydrophobicContact CB-CD1 3.93Å; A661-L664 HydrophobicContact CB-CG 4.16Å; A661-L664 WeakPolarHBondContact O-CA 3.33Å; A661-L664 WeakPolarHBondContact O-CB 3.36Å; A661-L664 PolarHBondContact O-N 3Å; A661-Q665 PolarHBondContact O-N 3.14Å
662	K	73.7	Confident	74.3	Confident	146 Å²	146	68.9 Å²	68.9	64%	0.635	35%	0.353	S	S	*	.	H	α-helix	trans	-48.5	-46.7	-169.1	-70.7	-174.9	178.6	-179.9	0	114.7	P660 L664 Q665 D666	P660-K662 VanDerWaalsContact C-N 3.28Å; P660-K662 PolarHBondContact O-N 2.83Å; K662-L664 VanDerWaalsContact C-N 3.3Å; K662-L664 PolarHBondContact O-N 2.69Å; K662-Q665 PolarHBondContact O-N 2.9Å; K662-D666 WeakPolarHBondContact O-CB 3.48Å; K662-D666 PolarHBondContact O-N 2.83Å
663	Q	73.9	Confident	72.6	Confident	51 Å²	51	68.7 Å²	68.7	24%	0.238	36%	0.361	C	S	.	.	H	α-helix	trans	-70.3	-24.5	-179.6	-39.4	177	-6.2	0	0	113.4	L604 A661 L667	L604-Q663 HydrophobicContact CD2-CB 3.46Å; L604-Q663 VanDerWaalsContact CD2-CB 3.46Å; L604-Q663 VanDerWaalsContact CD2-CD 3.43Å; L604-Q663 HydrophobicContact CD2-CG 3.44Å; L604-Q663 VanDerWaalsContact CD2-CG 3.44Å; A661-Q663 PolarHBondContact O-N 3.12Å; A661-Q663 VanDerWaalsContact O-N 3.14Å; Q663-L667 VanDerWaalsContact O-CB 3.28Å; Q663-L667 WeakPolarHBondContact O-CB 3.47Å; Q663-L667 PolarHBondContact O-N 2.95Å
664	L	74.8	Confident	70.4	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-74.3	-44.7	171.7	-62.6	-176.7	0	0	0	110.1	L604 L607 R608 I611 V649 E650 A661 K662 D666 L667 R668	L604-L664 HydrophobicContact CG-CG 4.49Å; L607-L664 HydrophobicContact CB-CD2 4.37Å; R608-L664 HydrophobicContact CB-CD2 4.25Å; I611-L664 HydrophobicContact CD1-CD2 3.89Å; V649-L664 HydrophobicContact CG1-CD1 4.08Å; E650-L664 HydrophobicContact CG-CB 3.94Å; A661-L664 HydrophobicContact CB-CB 4.05Å; A661-L664 HydrophobicContact CB-CD1 3.93Å; A661-L664 HydrophobicContact CB-CG 4.16Å; A661-L664 WeakPolarHBondContact O-CA 3.33Å; A661-L664 WeakPolarHBondContact O-CB 3.36Å; A661-L664 PolarHBondContact O-N 3Å; K662-L664 VanDerWaalsContact C-N 3.3Å; K662-L664 PolarHBondContact O-N 2.69Å; L664-D666 VanDerWaalsContact C-N 3.28Å; L664-D666 PolarHBondContact O-N 2.97Å; L664-L667 CarbonylContact O-C 3.59Å; L664-L667 WeakPolarHBondContact O-CB 3.44Å; L664-L667 PolarHBondContact O-N 3.45Å; L664-L667 VanDerWaalsContact O-N 3.15Å; L664-R668 WeakPolarHBondContact O-CB 3.31Å; L664-R668 PolarHBondContact O-N 2.97Å
665	Q	75.1	Confident	68.1	Low	57 Å²	57	83.1 Å²	83.1	27%	0.266	43%	0.427	S	S	.	.	H	α-helix	trans	-59.9	-38	173.7	-62.3	-179.9	4.6	0	0	112.2	E650 E654 A661 K662 K669	E650-Q665 WeakPolarHBondContact OE1-CA 3.46Å; E650-Q665 PolarHBondContact OE1-N 3.41Å; E654-Q665 PolarHBondContact OE1-NE2 3.35Å; A661-Q665 PolarHBondContact O-N 3.14Å; K662-Q665 PolarHBondContact O-N 2.9Å; Q665-K669 VanDerWaalsContact O-CG 3.25Å; Q665-K669 WeakPolarHBondContact O-CG 3.48Å; Q665-K669 PolarHBondContact O-N 3.47Å
666	D	75.4	Confident	65.8	Low	80 Å²	80	83.1 Å²	83.1	43%	0.428	43%	0.429	S	S	.	.	H	α-helix	trans	-74.3	-36.7	175.9	-66.7	-26	0	0	0	111.6	K662 L664 K669 S670	K662-D666 WeakPolarHBondContact O-CB 3.48Å; K662-D666 PolarHBondContact O-N 2.83Å; L664-D666 VanDerWaalsContact C-N 3.28Å; L664-D666 PolarHBondContact O-N 2.97Å; D666-K669 PolarHBondContact O-N 2.87Å; D666-K669 IonicContact OD1-NZ 3.96Å; D666-K669 PolarHBondContact OD1-NZ 3.23Å; D666-S670 WeakPolarHBondContact O-CB 3.33Å; D666-S670 PolarHBondContact O-N 3.25Å; D666-S670 PolarHBondContact O-OG 2.86Å
667	L	71.7	Confident	63.6	Low	6 Å²	6	85.9 Å²	85.9	3%	0.031	44%	0.436	C	S	.	.	H	α-helix	trans	-58.4	-50.9	169.5	-173.1	143.4	0	0	0	109.8	R608 I611 L612 L646 Q663 L664 K669 S670 T671	R608-L667 HydrophobicContact CG-CD1 3.72Å; I611-L667 HydrophobicContact CG2-CD1 4.46Å; I611-L667 HydrophobicContact CG2-CD2 3.65Å; L612-L667 HydrophobicContact CB-CD1 4.49Å; L646-L667 HydrophobicContact CD1-CD2 3.97Å; L646-L667 HydrophobicContact CD2-CD2 3.88Å; Q663-L667 VanDerWaalsContact O-CB 3.28Å; Q663-L667 WeakPolarHBondContact O-CB 3.47Å; Q663-L667 PolarHBondContact O-N 2.95Å; L664-L667 CarbonylContact O-C 3.59Å; L664-L667 WeakPolarHBondContact O-CB 3.44Å; L664-L667 PolarHBondContact O-N 3.45Å; L664-L667 VanDerWaalsContact O-N 3.15Å; L667-K669 VanDerWaalsContact C-N 3.31Å; L667-K669 PolarHBondContact O-N 2.98Å; L667-S670 WeakPolarHBondContact CA-OG 3.36Å; L667-S670 CarbonylContact O-C 3.55Å; L667-S670 WeakPolarHBondContact O-CA 3.47Å; L667-S670 PolarHBondContact O-N 2.75Å; L667-S670 PolarHBondContact O-OG 3.49Å; L667-T671 HydrophobicContact CD2-CG2 3.78Å; L667-T671 HydrophobicContact CG-CG2 3.95Å; L667-T671 WeakPolarHBondContact O-CG2 3.43Å; L667-T671 PolarHBondContact O-N 3.35Å; L667-T671 PolarHBondContact O-OG1 3.44Å
668	R	70.3	Confident	61.3	Low	90 Å²	90	90.2 Å²	90.2	34%	0.34	46%	0.464	S	S	.	.	H	α-helix	trans	-58.8	-34.7	176.1	-176.3	179	173.8	-163.8	-1.8	113.7	H642 L646 E650 L664 R672	H642-R668 PolarHBondContact NE2-O 3.5Å; H642-R668 VanDerWaalsContact NE2-O 3.16Å; L646-R668 HydrophobicContact CD2-CB 4.48Å; E650-R668 WeakPolarHBondContact OE1-CB 3.44Å; E650-R668 WeakPolarHBondContact OE1-CD 3.5Å; E650-R668 VanDerWaalsContact OE2-CD 3.27Å; E650-R668 WeakPolarHBondContact OE2-CD 3.06Å; E650-R668 IonicContact OE2-CZ 3.55Å; E650-R668 IonicContact OE2-NE 2.76Å; E650-R668 IonicContact OE2-NH1 3.72Å; E650-R668 PolarHBondContact OE2-NH1 2.89Å; L664-R668 WeakPolarHBondContact O-CB 3.31Å; L664-R668 PolarHBondContact O-N 2.97Å; R668-R672 PolarHBondContact O-N 3.31Å
669	K	70.3	Confident	59.3	Low	123 Å²	123	93.8 Å²	93.8	54%	0.535	47%	0.467	S	S	.	.	H	α-helix	trans	-66.8	-39.7	171.9	-71.4	164.3	-152.1	158.6	0	111.8	Q665 D666 L667	Q665-K669 VanDerWaalsContact O-CG 3.25Å; Q665-K669 WeakPolarHBondContact O-CG 3.48Å; Q665-K669 PolarHBondContact O-N 3.47Å; D666-K669 PolarHBondContact O-N 2.87Å; D666-K669 IonicContact OD1-NZ 3.96Å; D666-K669 PolarHBondContact OD1-NZ 3.23Å; L667-K669 VanDerWaalsContact C-N 3.31Å; L667-K669 PolarHBondContact O-N 2.98Å
670	S	64.1	Low	57.2	Low	92 Å²	92	92.1 Å²	92.1	64%	0.643	47%	0.47	S	S	*	.	H	α-helix	trans	-77.3	-33.4	-179.1	71	0	0	0	0	113.9	D666 L667 R672	D666-S670 WeakPolarHBondContact O-CB 3.33Å; D666-S670 PolarHBondContact O-N 3.25Å; D666-S670 PolarHBondContact O-OG 2.86Å; L667-S670 WeakPolarHBondContact CA-OG 3.36Å; L667-S670 CarbonylContact O-C 3.55Å; L667-S670 WeakPolarHBondContact O-CA 3.47Å; L667-S670 PolarHBondContact O-N 2.75Å; L667-S670 PolarHBondContact O-OG 3.49Å; S670-R672 VanDerWaalsContact C-N 3.31Å; S670-R672 PolarHBondContact O-N 3.27Å
671	T	58.1	Low	55.5	Low	28 Å²	28	95.4 Å²	95.4	17%	0.172	49%	0.488	C	S	.	.	S	Bend	trans	-93	14.2	-177.7	60.7	0	0	0	0	113.1	V615 H642 L667	V615-T671 HydrophobicContact CB-CG2 4.48Å; V615-T671 HydrophobicContact CG1-CG2 3.78Å; V615-T671 HydrophobicContact CG2-CG2 4.25Å; H642-T671 PolarHBondContact CD2-O 2.57Å; H642-T671 VanDerWaalsContact CD2-O 3.32Å; L667-T671 HydrophobicContact CD2-CG2 3.78Å; L667-T671 HydrophobicContact CG-CG2 3.95Å; L667-T671 WeakPolarHBondContact O-CG2 3.43Å; L667-T671 PolarHBondContact O-N 3.35Å; L667-T671 PolarHBondContact O-OG1 3.44Å
672	R	56.4	Low	53.3	Low	174 Å²	174	100 Å²	100	66%	0.657	52%	0.517	S	S	*	.	S	Bend	trans	-51.2	125.6	166.4	-83.2	-176.7	168.9	-169.4	-3.1	108.3	R668 S670 V674	R668-R672 PolarHBondContact O-N 3.31Å; S670-R672 VanDerWaalsContact C-N 3.31Å; S670-R672 PolarHBondContact O-N 3.27Å; R672-V674 PolarHBondContact O-N 3.32Å
673	P	48.3	Very low	51.2	Low	70 Å²	70	98.1 Å²	98.1	46%	0.455	52%	0.522	S	S	.	.			trans	-59.1	114.3	174.1	23.9	-32	0	0	0	107.7	R675	P673-R675 PolarHBondContact O-N 2.91Å; P673-R675 VanDerWaalsContact O-N 3.16Å
674	V	40.3	Very low	49.3	Very low	125 Å²	125	102.4 Å²	102.4	76%	0.758	55%	0.546	S	S	*	.			trans	-51.7	125.2	173.3	172.8	0	0	0	0	106.6	R672 I676	R672-V674 PolarHBondContact O-N 3.32Å; V674-I676 VanDerWaalsContact C-N 3.31Å; V674-I676 PolarHBondContact O-N 2.83Å
675	R	37.4	Very low	47.2	Very low	240 Å²	240	111.9 Å²	111.9	91%	0.906	60%	0.603	S	S	*	*			trans	-57.7	103.1	166.1	-80.6	-178.1	172.4	-179.5	-3.5	106.3	P673 N677	P673-R675 PolarHBondContact O-N 2.91Å; P673-R675 VanDerWaalsContact O-N 3.16Å; R675-N677 VanDerWaalsContact C-N 3.29Å; R675-N677 PolarHBondContact O-N 3.14Å
676	I	37.5	Very low	45.8	Very low	126 Å²	126	114.7 Å²	114.7	65%	0.646	62%	0.62	S	S	*	*			trans	-64	99.3	172.8	-62.1	176.1	0	0	0	106	V674	V674-I676 VanDerWaalsContact C-N 3.31Å; V674-I676 PolarHBondContact O-N 2.83Å
677	N	32	Very low	44.2	Very low	119 Å²	119	116.5 Å²	116.5	64%	0.636	63%	0.63	S	S	*	*			trans	-66.9	119.3	162.4	-158.7	28.5	0	0	0	105.1	R675 D679 S680	R675-N677 VanDerWaalsContact C-N 3.29Å; R675-N677 PolarHBondContact O-N 3.14Å; N677-D679 PolarHBondContact O-N 3.48Å; N677-S680 PolarHBondContact O-N 3.18Å
678	P	33.7	Very low	42.7	Very low	111 Å²	111	122.6 Å²	122.6	72%	0.721	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-12.4	-160.8	21	-32.8	0	0	0	115.3
679	D	31.9	Very low	41.1	Very low	144 Å²	144	124.5 Å²	124.5	77%	0.77	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	2.7	-174.4	-59.1	-52.5	0	0	0	115.5	N677	N677-D679 PolarHBondContact O-N 3.48Å
680	S	31.5	Very low	39.3	Very low	77 Å²	77	124.6 Å²	124.6	54%	0.538	69%	0.692	S	S	.	*			trans	-97.8	102	-177	-164.6	0	0	0	0	113.4	N677 T682	N677-S680 PolarHBondContact O-N 3.18Å; S680-T682 VanDerWaalsContact C-N 3.31Å; S680-T682 PolarHBondContact O-N 3.25Å
681	T	34.1	Very low	37.6	Very low	144 Å²	144	126.8 Å²	126.8	88%	0.883	70%	0.695	S	S	*	*			trans	-85.5	10.6	175	39.5	0	0	0	0	114.5
682	T	29.6	Very low	36.1	Very low	98 Å²	98	133.9 Å²	133.9	60%	0.601	73%	0.733	S	S	*	*			trans	-135.1	107.4	-171.5	44.4	0	0	0	0	114.9	S680	S680-T682 VanDerWaalsContact C-N 3.31Å; S680-T682 PolarHBondContact O-N 3.25Å
683	S	29.3	Very low	34.6	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	74%	0.739	S	S	*	*			trans	66.1	160	159.4	78.9	0	0	0	0	116.1
684	L	33.3	Very low	33.4	Very low	140 Å²	140	135.8 Å²	135.8	73%	0.733	76%	0.762	S	S	*	*			cis	-135.2	172.3	26.5	-86.5	104.3	0	0	0	114.6
685	V	30.7	Very low	32.8	Very low	200 Å²	200	136.8 Å²	136.8	100%	1.212	76%	0.763	S	S	*	*			trans	-28.2	0	157.6	-177.5	0	0	0	0	114.7

Retrieved 685 of 685 residues in 571.4 ms (Link to these results)

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