A0A087XNS0_POEFO Loading...

Transmembrane 9 superfamily member

AlphaFold DB , UniProt , Accession A0A087XNS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 586 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	42.9	Very low	48.4	Very low	232 Å²	232	118.2 Å²	118.2	100%	1.143	64%	0.638	S	S	*	*				0	4.9	0	-80.9	160.1	107	0	0	115.3
2	G	45.1	Very low	48.8	Very low	62 Å²	62	112.8 Å²	112.8	64%	0.639	62%	0.622	S	S	*	*			trans	-91.5	-21.9	-176	0	0	0	0	0	117.7
3	S	43.1	Very low	49.3	Very low	86 Å²	86	115.3 Å²	115.3	60%	0.601	62%	0.623	S	S	*	*	H	α-helix	trans	-79.5	-28.6	-172.9	173.9	0	0	0	0	114.3
4	S	42.8	Very low	49.1	Very low	75 Å²	75	115.6 Å²	115.6	52%	0.524	62%	0.623	S	S	.	*	H	α-helix	trans	-75.7	-35.2	-178.3	164.9	0	0	0	0	112.9	W6 K7 L8	S4-W6 PolarHBondContact O-N 2.98Å; S4-K7 PolarHBondContact O-N 3.39Å; S4-L8 PolarHBondContact O-N 2.72Å; S4-L8 VanDerWaalsContact O-N 3.11Å
5	R	47.9	Very low	48.9	Very low	202 Å²	202	112.2 Å²	112.2	76%	0.762	62%	0.617	S	S	*	*	H	α-helix	trans	-70.5	-31.6	-179.3	-66.5	-176.7	72.4	-177	2.3	112.9	A9	R5-A9 VanDerWaalsContact O-CB 3.28Å; R5-A9 WeakPolarHBondContact O-CB 3.37Å; R5-A9 PolarHBondContact O-N 3.27Å
6	W	46.3	Very low	48.5	Very low	197 Å²	197	110.4 Å²	110.4	75%	0.746	61%	0.61	S	S	*	*	H	α-helix	trans	-69.6	-42.4	175.4	-170.4	-87.4	0	0	0	111.8	S4 L8 A9 V10	S4-W6 PolarHBondContact O-N 2.98Å; W6-L8 PolarHBondContact O-N 3.3Å; W6-A9 PolarHBondContact O-N 2.84Å; W6-V10 WeakPolarHBondContact O-CB 3.42Å; W6-V10 VanDerWaalsContact O-CG2 3.28Å; W6-V10 WeakPolarHBondContact O-CG2 3.37Å; W6-V10 PolarHBondContact O-N 3.32Å
7	K	46.7	Very low	48.3	Very low	150 Å²	150	108.4 Å²	108.4	65%	0.652	60%	0.602	S	S	*	*	H	α-helix	trans	-64.2	-40.1	176.5	-67.7	-175.4	179.4	-171.1	0	112.2	S4 A11	S4-K7 PolarHBondContact O-N 3.39Å; K7-A11 VanDerWaalsContact O-CB 3.26Å; K7-A11 WeakPolarHBondContact O-CB 3.45Å; K7-A11 PolarHBondContact O-N 3.19Å
8	L	52.7	Low	47.7	Very low	116 Å²	116	105.2 Å²	105.2	61%	0.607	60%	0.598	S	S	*	*	H	α-helix	trans	-67.7	-38.9	174.7	-84	155.6	0	0	0	112.4	S4 W6 A12	S4-L8 PolarHBondContact O-N 2.72Å; S4-L8 VanDerWaalsContact O-N 3.11Å; W6-L8 PolarHBondContact O-N 3.3Å; L8-A12 WeakPolarHBondContact O-CB 3.18Å; L8-A12 PolarHBondContact O-N 2.72Å
9	A	54.9	Low	47.2	Very low	59 Å²	59	104.3 Å²	104.3	49%	0.488	60%	0.599	S	S	.	*	H	α-helix	trans	-69	-40.1	177.2	0	0	0	0	0	112.4	R5 W6 F13	R5-A9 VanDerWaalsContact O-CB 3.28Å; R5-A9 WeakPolarHBondContact O-CB 3.37Å; R5-A9 PolarHBondContact O-N 3.27Å; W6-A9 PolarHBondContact O-N 2.84Å; A9-F13 VanDerWaalsContact O-CB 3.23Å; A9-F13 WeakPolarHBondContact O-CB 3.26Å; A9-F13 PolarHBondContact O-N 2.7Å
10	V	57.2	Low	46.6	Very low	64 Å²	64	105.9 Å²	105.9	39%	0.388	60%	0.604	S	S	.	*	H	α-helix	trans	-68.6	-41.7	175.9	173.4	0	0	0	0	111.1	W6 F13 L14	W6-V10 WeakPolarHBondContact O-CB 3.42Å; W6-V10 VanDerWaalsContact O-CG2 3.28Å; W6-V10 WeakPolarHBondContact O-CG2 3.37Å; W6-V10 PolarHBondContact O-N 3.32Å; V10-F13 PolarHBondContact O-N 2.81Å; V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.47Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.49Å; V10-L14 PolarHBondContact O-N 2.81Å
11	A	52.3	Low	46.3	Very low	57 Å²	57	107 Å²	107	47%	0.471	61%	0.608	S	S	.	*	H	α-helix	trans	-65.3	-40.6	175.3	0	0	0	0	0	112.2	K7 A15	K7-A11 VanDerWaalsContact O-CB 3.26Å; K7-A11 WeakPolarHBondContact O-CB 3.45Å; K7-A11 PolarHBondContact O-N 3.19Å; A11-A15 VanDerWaalsContact O-CB 3.29Å; A11-A15 WeakPolarHBondContact O-CB 3.08Å; A11-A15 PolarHBondContact O-N 3.08Å
12	A	53.9	Low	46.1	Very low	53 Å²	53	100.8 Å²	100.8	44%	0.438	58%	0.584	S	S	.	*	H	α-helix	trans	-67.9	-37.9	175.4	0	0	0	0	0	112	L8 A15 V16	L8-A12 WeakPolarHBondContact O-CB 3.18Å; L8-A12 PolarHBondContact O-N 2.72Å; A12-A15 PolarHBondContact O-N 3.2Å; A12-V16 WeakPolarHBondContact O-CB 3.49Å; A12-V16 WeakPolarHBondContact O-CG2 3.32Å; A12-V16 PolarHBondContact O-N 3.13Å
13	F	54.6	Low	45.9	Very low	146 Å²	146	103.1 Å²	103.1	64%	0.64	59%	0.586	S	S	*	*	H	α-helix	trans	-67.6	-41.7	176	-167.8	-97.5	0	0	0	111.7	A9 V10 V16 V17	A9-F13 VanDerWaalsContact O-CB 3.23Å; A9-F13 WeakPolarHBondContact O-CB 3.26Å; A9-F13 PolarHBondContact O-N 2.7Å; V10-F13 PolarHBondContact O-N 2.81Å; F13-V16 PolarHBondContact O-N 3.06Å; F13-V17 HydrophobicContact CD1-CG2 4.09Å; F13-V17 HydrophobicContact CE1-CG2 3.85Å; F13-V17 HydrophobicContact CZ-CG2 4.11Å; F13-V17 WeakPolarHBondContact O-CB 3.38Å; F13-V17 WeakPolarHBondContact O-CG2 3.08Å; F13-V17 PolarHBondContact O-N 3.09Å
14	L	47.3	Very low	46.3	Very low	119 Å²	119	103.2 Å²	103.2	62%	0.623	58%	0.58	S	S	*	*	H	α-helix	trans	-65.6	-38.2	174.1	-72.5	168.3	0	0	0	112.3	V10 G18	V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.47Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.49Å; V10-L14 PolarHBondContact O-N 2.81Å; L14-G18 PolarHBondContact O-N 3.45Å
15	A	45.6	Very low	47	Very low	65 Å²	65	100.9 Å²	100.9	54%	0.537	57%	0.565	S	S	.	*	H	α-helix	trans	-68.4	-40.2	176	0	0	0	0	0	112.5	A11 A12 G18 S19	A11-A15 VanDerWaalsContact O-CB 3.29Å; A11-A15 WeakPolarHBondContact O-CB 3.08Å; A11-A15 PolarHBondContact O-N 3.08Å; A12-A15 PolarHBondContact O-N 3.2Å; A15-G18 PolarHBondContact O-N 3.16Å; A15-S19 WeakPolarHBondContact O-CB 3.38Å; A15-S19 PolarHBondContact O-N 3.17Å; A15-S19 VanDerWaalsContact O-N 3.08Å; A15-S19 PolarHBondContact O-OG 2.95Å
16	V	43.4	Very low	47.7	Very low	83 Å²	83	92.1 Å²	92.1	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-71.4	-39.4	178.7	171.5	0	0	0	0	111.4	A12 F13 S19 L20	A12-V16 WeakPolarHBondContact O-CB 3.49Å; A12-V16 WeakPolarHBondContact O-CG2 3.32Å; A12-V16 PolarHBondContact O-N 3.13Å; F13-V16 PolarHBondContact O-N 3.06Å; V16-S19 WeakPolarHBondContact CA-OG 3.41Å; V16-S19 PolarHBondContact O-N 3.15Å; V16-S19 PolarHBondContact O-OG 3.21Å; V16-L20 HydrophobicContact CG1-CD1 4.28Å; V16-L20 WeakPolarHBondContact O-CG 3.23Å
17	V	44.1	Very low	48.8	Very low	77 Å²	77	84 Å²	84	47%	0.467	50%	0.504	S	S	.	.	H	α-helix	trans	-68.7	-35.2	174.8	173.2	0	0	0	0	111.4	F13 S19	F13-V17 HydrophobicContact CD1-CG2 4.09Å; F13-V17 HydrophobicContact CE1-CG2 3.85Å; F13-V17 HydrophobicContact CZ-CG2 4.11Å; F13-V17 WeakPolarHBondContact O-CB 3.38Å; F13-V17 WeakPolarHBondContact O-CG2 3.08Å; F13-V17 PolarHBondContact O-N 3.09Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.31Å
18	G	37.8	Very low	50	Low	51 Å²	51	80.9 Å²	80.9	53%	0.526	49%	0.491	S	S	.	.	H	α-helix	trans	-68	-28.1	173	0	0	0	0	0	114.1	L14 A15	L14-G18 PolarHBondContact O-N 3.45Å; A15-G18 PolarHBondContact O-N 3.16Å
19	S	38.8	Very low	51.1	Low	88 Å²	88	79.1 Å²	79.1	62%	0.615	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.1	-178.7	61.9	0	0	0	0	115.7	A15 V16 V17	A15-S19 WeakPolarHBondContact O-CB 3.38Å; A15-S19 PolarHBondContact O-N 3.17Å; A15-S19 VanDerWaalsContact O-N 3.08Å; A15-S19 PolarHBondContact O-OG 2.95Å; V16-S19 WeakPolarHBondContact CA-OG 3.41Å; V16-S19 PolarHBondContact O-N 3.15Å; V16-S19 PolarHBondContact O-OG 3.21Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.31Å
20	L	35.6	Very low	52.5	Low	136 Å²	136	77.7 Å²	77.7	71%	0.712	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	4.8	-177.2	-76.2	168	0	0	0	113.8	V16	V16-L20 HydrophobicContact CG1-CD1 4.28Å; V16-L20 WeakPolarHBondContact O-CG 3.23Å
21	L	38.5	Very low	54	Low	129 Å²	129	76.2 Å²	76.2	68%	0.675	45%	0.454	S	S	*	.	S	Bend	trans	-85.4	131.1	170.7	-67.3	171.2	0	0	0	108.9	V23	L21-V23 PolarHBondContact O-N 2.96Å
22	P	40.5	Very low	55.7	Low	101 Å²	101	73.6 Å²	73.6	66%	0.656	43%	0.432	S	S	*	.			trans	-59.6	122.8	169.8	25.4	-30.2	0	0	0	108.4	D24	P22-D24 VanDerWaalsContact C-N 3.26Å; P22-D24 PolarHBondContact O-N 2.96Å; P22-D24 VanDerWaalsContact O-N 3.13Å
23	V	39.7	Very low	57.4	Low	111 Å²	111	74.6 Å²	74.6	67%	0.673	43%	0.433	S	S	*	.			trans	-79	82.6	170.3	172.6	0	0	0	0	105.1	L21 E29	L21-V23 PolarHBondContact O-N 2.96Å; V23-E29 VanDerWaalsContact CG1-OE1 3.26Å; V23-E29 WeakPolarHBondContact CG1-OE1 3.09Å; V23-E29 WeakPolarHBondContact CG1-OE2 3.48Å
24	D	51.3	Low	59.1	Low	89 Å²	89	72.5 Å²	72.5	48%	0.476	43%	0.429	S	S	.	.			trans	-83	126.7	170.1	-81.4	-31.6	0	0	0	107.3	P22 D26	P22-D24 VanDerWaalsContact C-N 3.26Å; P22-D24 PolarHBondContact O-N 2.96Å; P22-D24 VanDerWaalsContact O-N 3.13Å; D24-D26 PolarHBondContact O-N 2.88Å
25	A	57.2	Low	61	Low	26 Å²	26	73.9 Å²	73.9	22%	0.215	43%	0.429	C	S	.	.			trans	-71.5	97.4	177.1	0	0	0	0	0	108.3	T31 T33 E36	A25-T31 CarbonylContact C-O 3.49Å; A25-T31 WeakPolarHBondContact CA-O 3.34Å; A25-T31 WeakPolarHBondContact CB-O 3.31Å; A25-T33 HydrophobicContact CB-CG2 4.2Å; A25-E36 VanDerWaalsContact O-OE2 3.08Å
26	D	63	Low	63.1	Low	18 Å²	18	73.4 Å²	73.4	10%	0.096	42%	0.416	C	S	.	.	S	Bend	trans	-142.9	-166.2	-176.6	70	4.4	0	0	0	112.5	D24 H28 E29 H30 T31	D24-D26 PolarHBondContact O-N 2.88Å; D26-H28 PolarHBondContact O-N 2.91Å; D26-H28 VanDerWaalsContact OD1-CA 3.32Å; D26-H28 WeakPolarHBondContact OD1-CA 3.43Å; D26-H28 WeakPolarHBondContact OD1-CB 3.27Å; D26-H28 IonicContact OD1-CD2 2.64Å; D26-H28 IonicContact OD1-CG 2.77Å; D26-H28 PolarHBondContact OD1-N 3.47Å; D26-H28 IonicContact OD2-CD2 3.21Å; D26-H28 PolarHBondContact OD2-CD2 3.31Å; D26-H28 IonicContact OD2-CG 3.11Å; D26-E29 PolarHBondContact O-N 2.93Å; D26-E29 PolarHBondContact OD1-N 2.95Å; D26-H30 WeakPolarHBondContact O-CA 3.28Å; D26-H30 PolarHBondContact O-N 3.5Å; D26-T31 PolarHBondContact N-O 2.82Å; D26-T31 PolarHBondContact O-N 2.97Å
27	E	68.9	Low	65.2	Low	25 Å²	25	71.6 Å²	71.6	12%	0.117	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.4	175.1	64.1	178.9	-175.9	0	0	113.9	H30 W41	E27-H30 PolarHBondContact O-CE1 3.11Å; E27-H30 VanDerWaalsContact O-CE1 3.32Å; E27-H30 PolarHBondContact O-ND1 3.43Å; E27-W41 PolarHBondContact OE1-NE1 2.87Å; E27-W41 PolarHBondContact OE2-NE1 3.38Å
28	H	72	Confident	67.4	Low	86 Å²	86	68 Å²	68	40%	0.398	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-35.5	174.5	-58	-43.4	0	0	0	112.6	D26 H74	D26-H28 PolarHBondContact O-N 2.91Å; D26-H28 VanDerWaalsContact OD1-CA 3.32Å; D26-H28 WeakPolarHBondContact OD1-CA 3.43Å; D26-H28 WeakPolarHBondContact OD1-CB 3.27Å; D26-H28 IonicContact OD1-CD2 2.64Å; D26-H28 IonicContact OD1-CG 2.77Å; D26-H28 PolarHBondContact OD1-N 3.47Å; D26-H28 IonicContact OD2-CD2 3.21Å; D26-H28 PolarHBondContact OD2-CD2 3.31Å; D26-H28 IonicContact OD2-CG 3.11Å; H28-H74 AromaticContact CE1-CE1 3.97Å; H28-H74 AromaticContact CE1-CG 3.71Å; H28-H74 AromaticContact CE1-ND1 3.12Å; H28-H74 PolarHBondContact CE1-ND1 3.44Å; H28-H74 AromaticContact ND1-ND1 3.6Å
29	E	77.5	Confident	69.8	Low	79 Å²	79	66 Å²	66	37%	0.369	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.5	173.8	-63	-163.9	166.7	0	0	112.9	V23 D26 T31	V23-E29 VanDerWaalsContact CG1-OE1 3.26Å; V23-E29 WeakPolarHBondContact CG1-OE1 3.09Å; V23-E29 WeakPolarHBondContact CG1-OE2 3.48Å; D26-E29 PolarHBondContact O-N 2.93Å; D26-E29 PolarHBondContact OD1-N 2.95Å; E29-T31 PolarHBondContact O-N 3.45Å
30	H	84.6	Confident	72.2	Confident	28 Å²	28	61.9 Å²	61.9	13%	0.13	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	32.5	-175.2	-54.7	-65.7	0	0	0	112.9	D26 E27 D132 D133 R166 F201 R204	D26-H30 WeakPolarHBondContact O-CA 3.28Å; D26-H30 PolarHBondContact O-N 3.5Å; E27-H30 PolarHBondContact O-CE1 3.11Å; E27-H30 VanDerWaalsContact O-CE1 3.32Å; E27-H30 PolarHBondContact O-ND1 3.43Å; H30-D132 IonicContact CE1-OD1 2.6Å; H30-D132 IonicContact CG-OD1 3.74Å; H30-D132 IonicContact ND1-OD1 3.58Å; H30-D132 PolarHBondContact ND1-OD1 3.4Å; H30-D132 IonicContact ND1-OD2 2.91Å; H30-D133 IonicContact CE1-OD2 3.66Å; H30-D133 PolarHBondContact CE1-OD2 2.9Å; H30-R166 WeakPolarHBondContact O-CD 3.46Å; H30-R166 WeakPolarHBondContact O-CG 3.32Å; H30-F201 HydrophobicContact CB-CE1 4.44Å; H30-F201 HydrophobicContact CB-CE2 3.54Å; H30-F201 HydrophobicContact CB-CZ 3.35Å; H30-F201 AromaticContact CD2-CZ 3.66Å; H30-F201 AromaticContact CG-CZ 3.56Å; H30-R204 PolarHBondContact CE1-NH2 2.93Å
31	T	87.4	Confident	74.8	Confident	33 Å²	33	55.6 Å²	55.6	20%	0.202	30%	0.296	C	S	.	.			trans	-130.7	131	-179.5	44.2	0	0	0	0	109.8	A25 D26 E29 N165 R166	A25-T31 CarbonylContact C-O 3.49Å; A25-T31 WeakPolarHBondContact CA-O 3.34Å; A25-T31 WeakPolarHBondContact CB-O 3.31Å; D26-T31 PolarHBondContact N-O 2.82Å; D26-T31 PolarHBondContact O-N 2.97Å; E29-T31 PolarHBondContact O-N 3.45Å; T31-N165 CarbonylContact C-O 3.49Å; T31-N165 WeakPolarHBondContact CA-O 3.23Å; T31-R166 HydrophobicContact CG2-CG 4.02Å
32	Y	88.6	Confident	77.2	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.012	27%	0.265	C	S	.	.			trans	-123.3	138.9	-173.7	-60.2	-86.4	0	0	0	111	E36 V38 F95 D132 N165 I167	Y32-E36 HydrophobicContact CD1-CG 4.32Å; Y32-V38 HydrophobicContact CD1-CG2 4.1Å; Y32-V38 HydrophobicContact CE1-CG2 4.11Å; Y32-F95 HydrophobicContact CD2-CD2 4.35Å; Y32-F95 HydrophobicContact CD2-CE2 4.38Å; Y32-F95 HydrophobicContact CG-CD2 4.12Å; Y32-F95 HydrophobicContact CG-CG 4.29Å; Y32-D132 HydrophobicContact CE2-CB 4.47Å; Y32-D132 WeakPolarHBondContact OH-CB 3.34Å; Y32-D132 VanDerWaalsContact OH-CG 3.31Å; Y32-D132 PolarHBondContact OH-OD1 2.94Å; Y32-D132 VanDerWaalsContact OH-OD1 3.11Å; Y32-N165 PolarHBondContact N-O 3.48Å; Y32-N165 VanDerWaalsContact O-CB 3.32Å; Y32-N165 WeakPolarHBondContact O-CB 3.19Å; Y32-I167 HydrophobicContact CD2-CD1 4.12Å; Y32-I167 HydrophobicContact CD2-CG1 3.99Å; Y32-I167 HydrophobicContact CE2-CB 4.44Å; Y32-I167 HydrophobicContact CE2-CD1 3.6Å; Y32-I167 HydrophobicContact CE2-CG1 3.75Å
33	T	89.8	Confident	79.5	Confident	73 Å²	73	45.1 Å²	45.1	45%	0.448	24%	0.235	S	C	.	.			trans	-83.3	156.3	165.7	62.3	0	0	0	0	110.7	A25 K35 E36 F95	A25-T33 HydrophobicContact CB-CG2 4.2Å; T33-K35 PolarHBondContact O-N 3.27Å; T33-E36 WeakPolarHBondContact CB-OE2 3.19Å; T33-E36 PolarHBondContact N-OE2 2.91Å; T33-E36 WeakPolarHBondContact O-CB 3.26Å; T33-E36 PolarHBondContact O-N 3.02Å; T33-E36 PolarHBondContact OG1-OE2 3.13Å; T33-F95 WeakPolarHBondContact O-CD1 3.29Å
34	D	88.8	Confident	81.9	Confident	103 Å²	103	40.1 Å²	40.1	55%	0.551	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	130.5	-178.4	-72.4	-4	0	0	0	110.5	E36 K96	D34-E36 PolarHBondContact O-N 2.75Å; D34-K96 WeakPolarHBondContact OD1-CD 3.38Å; D34-K96 IonicContact OD1-NZ 2.72Å; D34-K96 PolarHBondContact OD1-NZ 3.45Å
35	K	89.1	Confident	83.9	Confident	147 Å²	147	35.9 Å²	35.9	64%	0.639	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	11.8	-174.6	-50.2	177.4	179.7	178.4	0	115.7	T33 F95	T33-K35 PolarHBondContact O-N 3.27Å; K35-F95 PolarHBondContact N-O 3.21Å
36	E	88.4	Confident	85.5	Confident	55 Å²	55	34.6 Å²	34.6	26%	0.257	17%	0.172	S	C	.	.			trans	-61.3	149.9	168.2	-171.8	137.5	-131.1	0	0	111.3	A25 Y32 T33 D34 V38 K94 F95	A25-E36 VanDerWaalsContact O-OE2 3.08Å; Y32-E36 HydrophobicContact CD1-CG 4.32Å; T33-E36 WeakPolarHBondContact CB-OE2 3.19Å; T33-E36 PolarHBondContact N-OE2 2.91Å; T33-E36 WeakPolarHBondContact O-CB 3.26Å; T33-E36 PolarHBondContact O-N 3.02Å; T33-E36 PolarHBondContact OG1-OE2 3.13Å; D34-E36 PolarHBondContact O-N 2.75Å; E36-V38 PolarHBondContact O-N 2.91Å; E36-K94 CarbonylContact O-C 3.6Å; E36-K94 VanDerWaalsContact O-CA 3.23Å; E36-K94 WeakPolarHBondContact O-CA 3.22Å; E36-F95 HydrophobicContact CB-CB 4.49Å; E36-F95 PolarHBondContact O-N 3.46Å
37	E	88.3	Confident	86.8	Confident	45 Å²	45	33.9 Å²	33.9	21%	0.21	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-65.9	130.9	176.8	173.6	164.1	-159.8	0	0	111	V39 K67	E37-V39 HydrophobicContact CG-CG2 4.07Å; E37-K67 VanDerWaalsContact OE1-CE 3.22Å; E37-K67 WeakPolarHBondContact OE1-CE 3.41Å; E37-K67 IonicContact OE1-NZ 2.62Å; E37-K67 PolarHBondContact OE1-NZ 2.63Å; E37-K67 IonicContact OE2-NZ 2.63Å; E37-K67 PolarHBondContact OE2-NZ 3.13Å
38	V	89.2	Confident	87.7	Confident	1 Å²	1	38 Å²	38	1%	0.006	18%	0.183	C	C	.	.			trans	-113	116.2	171.3	177.7	0	0	0	0	107.6	Y32 E36 I93 F95 I131 I167 W194	Y32-V38 HydrophobicContact CD1-CG2 4.1Å; Y32-V38 HydrophobicContact CE1-CG2 4.11Å; E36-V38 PolarHBondContact O-N 2.91Å; V38-I93 HydrophobicContact CB-CB 4.49Å; V38-I93 HydrophobicContact CB-CG2 4.11Å; V38-I93 PolarHBondContact N-O 3.39Å; V38-F95 HydrophobicContact CG2-CB 3.95Å; V38-F95 HydrophobicContact CG2-CD2 4.41Å; V38-I131 HydrophobicContact CG1-CG2 3.61Å; V38-I167 HydrophobicContact CG1-CD1 3.75Å; V38-I167 HydrophobicContact CG2-CD1 4.18Å; V38-W194 HydrophobicContact CG2-CH2 4.09Å; V38-W194 HydrophobicContact CG2-CZ2 4.29Å
39	V	88.4	Confident	88.3	Confident	9 Å²	9	36.8 Å²	36.8	6%	0.055	18%	0.177	C	C	.	.			trans	-85.3	125	-175.3	-172.4	0	0	0	0	110.1	E37 W41 F88	E37-V39 HydrophobicContact CG-CG2 4.07Å; V39-W41 HydrophobicContact CB-CZ2 4.38Å; V39-W41 HydrophobicContact CG1-CD2 3.75Å; V39-W41 HydrophobicContact CG1-CE3 4.31Å; V39-W41 HydrophobicContact CG1-CG 4.18Å; V39-W41 HydrophobicContact CG1-CH2 4.23Å; V39-W41 HydrophobicContact CG1-CZ2 3.64Å; V39-F88 HydrophobicContact CG1-CD2 3.64Å; V39-F88 HydrophobicContact CG1-CE2 3.83Å
40	L	90.2	Very high	88.8	Confident	2 Å²	2	33 Å²	33	1%	0.01	16%	0.16	C	C	.	.			trans	-95.2	112.5	166.6	173	71.5	0	0	0	108.9	M42 S89 L91 I93 M129 I131 I136 L158	L40-M42 HydrophobicContact CD2-CE 3.76Å; L40-M42 HydrophobicContact CG-CE 4.27Å; L40-S89 WeakPolarHBondContact CB-OG 3.22Å; L40-S89 WeakPolarHBondContact O-CB 3.14Å; L40-S89 PolarHBondContact O-N 3.4Å; L40-S89 VanDerWaalsContact O-N 3.16Å; L40-S89 PolarHBondContact O-OG 3.36Å; L40-L91 HydrophobicContact CD2-CD1 3.81Å; L40-I93 HydrophobicContact CB-CD1 3.98Å; L40-I93 HydrophobicContact CD2-CD1 4.45Å; L40-M129 HydrophobicContact CD1-CB 3.83Å; L40-M129 HydrophobicContact CD1-CE 4.45Å; L40-M129 HydrophobicContact CD1-SD 4.26Å; L40-M129 HydrophobicContact CD2-SD 4.27Å; L40-I131 HydrophobicContact CB-CG1 4.22Å; L40-I131 HydrophobicContact CD1-CD1 3.84Å; L40-I131 HydrophobicContact CD1-CG1 3.45Å; L40-I131 VanDerWaalsContact CD1-CG1 3.45Å; L40-I131 HydrophobicContact CG-CG1 4.44Å; L40-I136 HydrophobicContact CD1-CD1 4.22Å; L40-L158 HydrophobicContact CD2-CD1 4.18Å
41	W	89.3	Confident	88.7	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.9	178.7	-64.7	106.5	0	0	0	111	E27 V39 I70 Y73 L86 F88 M129 Y130	E27-W41 PolarHBondContact OE1-NE1 2.87Å; E27-W41 PolarHBondContact OE2-NE1 3.38Å; V39-W41 HydrophobicContact CB-CZ2 4.38Å; V39-W41 HydrophobicContact CG1-CD2 3.75Å; V39-W41 HydrophobicContact CG1-CE3 4.31Å; V39-W41 HydrophobicContact CG1-CG 4.18Å; V39-W41 HydrophobicContact CG1-CH2 4.23Å; V39-W41 HydrophobicContact CG1-CZ2 3.64Å; W41-I70 HydrophobicContact CH2-CD1 4Å; W41-Y73 HydrophobicContact CH2-CD2 4.38Å; W41-L86 HydrophobicContact CB-CB 4.3Å; W41-L86 HydrophobicContact CB-CD1 4.49Å; W41-L86 HydrophobicContact CB-CD2 4.1Å; W41-L86 HydrophobicContact CD2-CB 4.1Å; W41-L86 HydrophobicContact CD2-CD1 4.35Å; W41-L86 HydrophobicContact CE3-CB 3.68Å; W41-L86 HydrophobicContact CG-CB 4.4Å; W41-L86 HydrophobicContact CG-CD1 4.27Å; W41-L86 HydrophobicContact CZ3-CB 4.31Å; W41-F88 HydrophobicContact CZ3-CB 4.34Å; W41-M129 CarbonylContact O-C 3.59Å; W41-M129 WeakPolarHBondContact O-CA 3.32Å; W41-M129 WeakPolarHBondContact O-CB 3.43Å; W41-Y130 PolarHBondContact N-O 3.11Å; W41-Y130 PolarHBondContact O-N 3.1Å
42	M	89.9	Confident	88.7	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.03	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.7	171.1	-61.3	-68.5	172.6	0	0	108.1	L40 Y57 F58 E87 M129	L40-M42 HydrophobicContact CD2-CE 3.76Å; L40-M42 HydrophobicContact CG-CE 4.27Å; M42-Y57 HydrophobicContact CB-CD1 3.88Å; M42-Y57 HydrophobicContact CB-CD2 4.33Å; M42-Y57 HydrophobicContact CB-CG 3.74Å; M42-Y57 HydrophobicContact CE-CE1 4.46Å; M42-Y57 HydrophobicContact CG-CD1 3.92Å; M42-Y57 HydrophobicContact CG-CE1 4.18Å; M42-Y57 HydrophobicContact CG-CG 4.2Å; M42-Y57 HydrophobicContact SD-CD1 3.9Å; M42-Y57 HydrophobicContact SD-CD2 4.01Å; M42-Y57 HydrophobicContact SD-CE1 3.67Å; M42-Y57 HydrophobicContact SD-CE2 3.78Å; M42-Y57 HydrophobicContact SD-CG 4.07Å; M42-F58 HydrophobicContact CB-CE2 4.09Å; M42-F58 HydrophobicContact CG-CE2 4.12Å; M42-F58 HydrophobicContact CG-CZ 4.08Å; M42-E87 WeakPolarHBondContact CB-O 3.31Å; M42-E87 PolarHBondContact N-O 2.87Å; M42-E87 PolarHBondContact O-N 3.19Å; M42-M129 HydrophobicContact CE-CG 4.42Å; M42-M129 HydrophobicContact CE-SD 3.57Å; M42-M129 VanDerWaalsContact CE-SD 3.57Å; M42-M129 HydrophobicContact SD-CG 3.54Å; M42-M129 VanDerWaalsContact SD-CG 3.54Å; M42-M129 HydrophobicContact SD-SD 3.44Å
43	N	88.2	Confident	88.7	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-83.1	-177	179.5	34.8	0	0	0	110.7	Y57 E85 L86 Q128 Y130	N43-Y57 PolarHBondContact O-N 2.95Å; N43-E85 PolarHBondContact OD1-N 3.32Å; N43-L86 HydrophobicContact CB-CD2 3.99Å; N43-Q128 HydrophobicContact CB-CB 4.3Å; N43-Q128 PolarHBondContact N-O 2.88Å; N43-Q128 PolarHBondContact ND2-OE1 3.22Å; N43-Y130 HydrophobicContact CB-CD2 4Å; N43-Y130 HydrophobicContact CB-CE2 3.8Å
44	T	90.3	Very high	88.6	Confident	5 Å²	5	32.7 Å²	32.7	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.8	-168.5	47.9	0	0	0	0	112.8	Y55 Y127 Q128 S384	T44-Y55 CarbonylContact C-O 3.59Å; T44-Y55 WeakPolarHBondContact CA-O 3.27Å; T44-Y55 WeakPolarHBondContact CB-O 3.46Å; T44-Y127 CarbonylContact O-C 3.25Å; T44-Y127 VanDerWaalsContact O-CA 3.26Å; T44-Y127 WeakPolarHBondContact O-CA 3.48Å; T44-Q128 PolarHBondContact O-N 3.34Å; T44-S384 WeakPolarHBondContact CG2-OG 3.32Å
45	V	92.1	Very high	88.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.8	166.9	-66.1	0	0	0	0	109	T54 Y55 K56 Y57 L60 W126	V45-T54 WeakPolarHBondContact O-CA 3.28Å; V45-Y55 PolarHBondContact N-O 2.92Å; V45-Y55 PolarHBondContact O-N 2.91Å; V45-K56 WeakPolarHBondContact CG2-O 3.47Å; V45-Y57 HydrophobicContact CG1-CD2 3.75Å; V45-Y57 HydrophobicContact CG1-CE2 4.32Å; V45-Y57 HydrophobicContact CG1-CG 4.27Å; V45-L60 HydrophobicContact CB-CD1 4.18Å; V45-L60 HydrophobicContact CG1-CD1 4.1Å; V45-L60 HydrophobicContact CG2-CD1 4.18Å; V45-L60 HydrophobicContact CG2-CG 4.23Å; V45-W126 VanDerWaalsContact CA-O 3.31Å; V45-W126 WeakPolarHBondContact CA-O 3.4Å
46	G	91.7	Very high	88.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	166.7	175.8	0	0	0	0	0	113.2	Y125 W126	G46-Y125 CarbonylContact O-C 3.53Å; G46-Y125 VanDerWaalsContact O-CA 3.24Å; G46-Y125 WeakPolarHBondContact O-CA 3.2Å; G46-W126 PolarHBondContact N-O 3.32Å; G46-W126 PolarHBondContact O-N 2.73Å; G46-W126 PolarHBondContact O-NE1 2.81Å
47	P	90.9	Very high	88.7	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.019	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	138.8	174.3	27.4	-37.7	0	0	0	112.3	H49 N50 E53 Y125 W126	P47-H49 PolarHBondContact O-N 3.11Å; P47-N50 HydrophobicContact CG-CB 3.78Å; P47-N50 CarbonylContact O-C 3.55Å; P47-N50 PolarHBondContact O-N 2.94Å; P47-E53 WeakPolarHBondContact CD-O 3.2Å; P47-E53 HydrophobicContact CG-CB 4.42Å; P47-Y125 HydrophobicContact CB-CD1 4.05Å; P47-Y125 HydrophobicContact CB-CE1 3.74Å; P47-Y125 HydrophobicContact CG-CE1 4.25Å; P47-W126 PolarHBondContact O-NE1 2.98Å
48	Y	86.9	Confident	88.7	Confident	110 Å²	110	24 Å²	24	43%	0.431	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.2	-179.3	-177.2	-98.6	0	0	0	114.1	H124 W126 Y472	Y48-H124 WeakPolarHBondContact CB-O 3.39Å; Y48-H124 PolarHBondContact N-O 3.31Å; Y48-W126 VanDerWaalsContact CA-CD1 3.5Å; Y48-Y472 VanDerWaalsContact C-OH 3.29Å; Y48-Y472 WeakPolarHBondContact CA-OH 3.35Å; Y48-Y472 HydrophobicContact CD1-CE2 4.5Å; Y48-Y472 HydrophobicContact CD2-CE1 4.37Å; Y48-Y472 HydrophobicContact CD2-CE2 4.05Å; Y48-Y472 AromaticContact CD2-CZ 3.65Å; Y48-Y472 VanDerWaalsContact CD2-OH 3.25Å; Y48-Y472 WeakPolarHBondContact CD2-OH 3.47Å; Y48-Y472 HydrophobicContact CE1-CE2 4.05Å; Y48-Y472 HydrophobicContact CE2-CD2 4.23Å; Y48-Y472 HydrophobicContact CE2-CE1 4.13Å; Y48-Y472 AromaticContact CE2-CE2 3.56Å; Y48-Y472 HydrophobicContact CE2-CE2 3.56Å; Y48-Y472 AromaticContact CE2-CZ 3.5Å; Y48-Y472 HydrophobicContact CG-CE2 4.49Å; Y48-Y472 AromaticContact CZ-CE2 3.55Å; Y48-Y472 PolarHBondContact O-OH 3.18Å
49	H	85.5	Confident	88.7	Confident	61 Å²	61	27.4 Å²	27.4	28%	0.282	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-18.1	178.1	-69.3	-39.9	0	0	0	113.8	P47 M540 Y541	P47-H49 PolarHBondContact O-N 3.11Å; H49-M540 WeakPolarHBondContact O-CG 3.43Å; H49-Y541 HydrophobicContact CB-CD1 4.29Å; H49-Y541 HydrophobicContact CB-CE1 3.79Å
50	N	88.2	Confident	88.7	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.127	C	C	.	.			trans	-119.7	76	179.1	-55.8	-20.8	0	0	0	110.6	P47 Q52 E53 Y541 Q545	P47-N50 HydrophobicContact CG-CB 3.78Å; P47-N50 CarbonylContact O-C 3.55Å; P47-N50 PolarHBondContact O-N 2.94Å; N50-Q52 PolarHBondContact O-N 3.11Å; N50-E53 HydrophobicContact CB-CB 3.87Å; N50-E53 PolarHBondContact ND2-OE2 2.93Å; N50-E53 VanDerWaalsContact ND2-OE2 3.08Å; N50-E53 PolarHBondContact O-N 2.94Å; N50-E53 VanDerWaalsContact O-N 3.07Å; N50-Y541 PolarHBondContact ND2-O 2.83Å; N50-Y541 PolarHBondContact OD1-N 3.43Å; N50-Y541 PolarHBondContact OD1-O 3.44Å; N50-Y541 VanDerWaalsContact OD1-O 3.09Å; N50-Q545 VanDerWaalsContact CA-OE1 3.24Å; N50-Q545 HydrophobicContact CB-CB 3.98Å; N50-Q545 HydrophobicContact CB-CG 3.92Å
51	R	82.1	Confident	88.8	Confident	81 Å²	81	28.7 Å²	28.7	31%	0.306	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.7	-177.4	-175.9	176.9	180	-161.7	-3.2	114	A471	R51-A471 PolarHBondContact NH1-O 3.35Å
52	Q	85.9	Confident	88.8	Confident	27 Å²	27	29.3 Å²	29.3	13%	0.126	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-17	-173.8	-65.9	-45.9	-15.2	0	0	112.6	N50 T54 R385 W470 F544 F548	N50-Q52 PolarHBondContact O-N 3.11Å; Q52-T54 PolarHBondContact O-N 3.02Å; Q52-R385 PolarHBondContact O-NE 3.49Å; Q52-R385 PolarHBondContact O-NH2 3.09Å; Q52-W470 HydrophobicContact CG-CE3 4.42Å; Q52-W470 HydrophobicContact CG-CZ3 4.06Å; Q52-F544 VanDerWaalsContact O-CE1 3.22Å; Q52-F544 WeakPolarHBondContact O-CE1 3.3Å; Q52-F548 HydrophobicContact CB-CD1 4.07Å; Q52-F548 HydrophobicContact CB-CG 4.24Å; Q52-F548 HydrophobicContact CG-CD1 3.8Å; Q52-F548 HydrophobicContact CG-CE1 4.01Å; Q52-F548 HydrophobicContact CG-CG 4.47Å
53	E	89.1	Confident	88.7	Confident	13 Å²	13	30.3 Å²	30.3	6%	0.061	15%	0.145	C	C	.	.			trans	-86.1	90.9	171.2	-169.9	-177.7	159.3	0	0	109.4	P47 N50 Y55 F544	P47-E53 WeakPolarHBondContact CD-O 3.2Å; P47-E53 HydrophobicContact CG-CB 4.42Å; N50-E53 HydrophobicContact CB-CB 3.87Å; N50-E53 PolarHBondContact ND2-OE2 2.93Å; N50-E53 VanDerWaalsContact ND2-OE2 3.08Å; N50-E53 PolarHBondContact O-N 2.94Å; N50-E53 VanDerWaalsContact O-N 3.07Å; E53-Y55 HydrophobicContact CG-CE2 3.9Å; E53-Y55 WeakPolarHBondContact CG-OH 3.38Å; E53-Y55 PolarHBondContact OE1-OH 3.32Å; E53-F544 HydrophobicContact CB-CD1 3.83Å; E53-F544 HydrophobicContact CB-CE1 4.36Å; E53-F544 HydrophobicContact CG-CD1 3.94Å
54	T	89	Confident	88.6	Confident	8 Å²	8	32.6 Å²	32.6	5%	0.049	17%	0.165	C	C	.	.			trans	-120.9	150.1	179.5	43.9	0	0	0	0	110.8	V45 Q52 W126 A383 S384 R385	V45-T54 WeakPolarHBondContact O-CA 3.28Å; Q52-T54 PolarHBondContact O-N 3.02Å; T54-W126 HydrophobicContact CG2-CZ2 4.31Å; T54-A383 CarbonylContact O-C 3.33Å; T54-A383 VanDerWaalsContact O-CA 3.25Å; T54-A383 WeakPolarHBondContact O-CA 3.3Å; T54-A383 WeakPolarHBondContact O-CB 3.43Å; T54-S384 VanDerWaalsContact C-OG 3.24Å; T54-S384 PolarHBondContact O-N 3.48Å; T54-S384 PolarHBondContact O-OG 3.36Å; T54-S384 VanDerWaalsContact O-OG 3.13Å; T54-S384 PolarHBondContact OG1-OG 3.12Å; T54-R385 WeakPolarHBondContact OG1-CG 3.48Å
55	Y	90.1	Very high	88.4	Confident	34 Å²	34	33 Å²	33	13%	0.133	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	161.2	179.2	-53	-83.3	0	0	0	108.6	T44 V45 E53 S59 Y381	T44-Y55 CarbonylContact C-O 3.59Å; T44-Y55 WeakPolarHBondContact CA-O 3.27Å; T44-Y55 WeakPolarHBondContact CB-O 3.46Å; V45-Y55 PolarHBondContact N-O 2.92Å; V45-Y55 PolarHBondContact O-N 2.91Å; E53-Y55 HydrophobicContact CG-CE2 3.9Å; E53-Y55 WeakPolarHBondContact CG-OH 3.38Å; E53-Y55 PolarHBondContact OE1-OH 3.32Å; Y55-S59 WeakPolarHBondContact CB-OG 3.38Å; Y55-Y381 VanDerWaalsContact CE1-O 3.31Å; Y55-Y381 WeakPolarHBondContact CE1-O 3.42Å
56	K	88.9	Confident	87.8	Confident	81 Å²	81	38 Å²	38	35%	0.352	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	143.3	176.3	-52.5	-165.8	-164.6	-155.6	0	110.6	V45 F58 S59 E85 E87	V45-K56 WeakPolarHBondContact CG2-O 3.47Å; K56-F58 VanDerWaalsContact C-N 3.25Å; K56-F58 PolarHBondContact O-N 2.86Å; K56-S59 VanDerWaalsContact O-CB 3.23Å; K56-S59 WeakPolarHBondContact O-CB 3.25Å; K56-S59 PolarHBondContact O-N 2.85Å; K56-S59 PolarHBondContact O-OG 2.76Å; K56-E85 VanDerWaalsContact CD-OE2 3.32Å; K56-E85 WeakPolarHBondContact CD-OE2 3.42Å; K56-E85 WeakPolarHBondContact CE-OE1 3.35Å; K56-E85 WeakPolarHBondContact CE-OE2 3.45Å; K56-E85 IonicContact NZ-OE1 2.75Å; K56-E85 PolarHBondContact NZ-OE1 3.41Å; K56-E85 IonicContact NZ-OE2 2.68Å; K56-E85 PolarHBondContact NZ-OE2 3.46Å; K56-E85 VanDerWaalsContact NZ-OE2 3.11Å; K56-E87 WeakPolarHBondContact CD-OE1 3.39Å
57	Y	88.7	Confident	87.2	Confident	3 Å²	3	40.3 Å²	40.3	1%	0.012	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-52.7	-43.4	-178.4	-177.6	-89.7	0	0	0	113.3	M42 N43 V45 S59 F62 Y127	M42-Y57 HydrophobicContact CB-CD1 3.88Å; M42-Y57 HydrophobicContact CB-CD2 4.33Å; M42-Y57 HydrophobicContact CB-CG 3.74Å; M42-Y57 HydrophobicContact CE-CE1 4.46Å; M42-Y57 HydrophobicContact CG-CD1 3.92Å; M42-Y57 HydrophobicContact CG-CE1 4.18Å; M42-Y57 HydrophobicContact CG-CG 4.2Å; M42-Y57 HydrophobicContact SD-CD1 3.9Å; M42-Y57 HydrophobicContact SD-CD2 4.01Å; M42-Y57 HydrophobicContact SD-CE1 3.67Å; M42-Y57 HydrophobicContact SD-CE2 3.78Å; M42-Y57 HydrophobicContact SD-CG 4.07Å; N43-Y57 PolarHBondContact O-N 2.95Å; V45-Y57 HydrophobicContact CG1-CD2 3.75Å; V45-Y57 HydrophobicContact CG1-CE2 4.32Å; V45-Y57 HydrophobicContact CG1-CG 4.27Å; Y57-S59 VanDerWaalsContact C-N 3.26Å; Y57-S59 PolarHBondContact O-N 2.85Å; Y57-F62 HydrophobicContact CD1-CD2 4.41Å; Y57-F62 HydrophobicContact CE1-CB 3.9Å; Y57-F62 AromaticContact CE1-CD2 3.8Å; Y57-F62 HydrophobicContact CE1-CD2 3.8Å; Y57-F62 AromaticContact CE1-CG 3.97Å; Y57-F62 HydrophobicContact CE1-CG 3.97Å; Y57-F62 HydrophobicContact CE2-CD2 4.48Å; Y57-F62 AromaticContact CZ-CD2 3.84Å; Y57-Y127 HydrophobicContact CD2-CG 4.42Å; Y57-Y127 HydrophobicContact CE2-CD1 4.49Å; Y57-Y127 AromaticContact CE2-CD2 3.74Å; Y57-Y127 HydrophobicContact CE2-CD2 3.74Å; Y57-Y127 AromaticContact CE2-CG 3.73Å; Y57-Y127 HydrophobicContact CE2-CG 3.73Å
58	F	88.9	Confident	86.4	Confident	51 Å²	51	49.5 Å²	49.5	22%	0.224	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-83.7	9.7	179.7	-62.4	-74.6	0	0	0	114.4	M42 K56 L60 F62 A64 E87	M42-F58 HydrophobicContact CB-CE2 4.09Å; M42-F58 HydrophobicContact CG-CE2 4.12Å; M42-F58 HydrophobicContact CG-CZ 4.08Å; K56-F58 VanDerWaalsContact C-N 3.25Å; K56-F58 PolarHBondContact O-N 2.86Å; F58-L60 CarbonylContact C-O 3.59Å; F58-L60 VanDerWaalsContact C-O 3.26Å; F58-L60 VanDerWaalsContact O-O 3.11Å; F58-F62 HydrophobicContact CD1-CB 4.33Å; F58-A64 HydrophobicContact CE1-CB 4.09Å; F58-A64 HydrophobicContact CZ-CB 4.07Å; F58-E87 HydrophobicContact CD2-CB 3.91Å; F58-E87 HydrophobicContact CD2-CG 4.44Å; F58-E87 WeakPolarHBondContact CD2-OE2 3.18Å; F58-E87 HydrophobicContact CE2-CB 3.78Å
59	S	88.1	Confident	85.5	Confident	72 Å²	72	49.4 Å²	49.4	50%	0.503	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-68.7	-28.3	165.4	78.7	0	0	0	0	111.2	Y55 K56 Y57	Y55-S59 WeakPolarHBondContact CB-OG 3.38Å; K56-S59 VanDerWaalsContact O-CB 3.23Å; K56-S59 WeakPolarHBondContact O-CB 3.25Å; K56-S59 PolarHBondContact O-N 2.85Å; K56-S59 PolarHBondContact O-OG 2.76Å; Y57-S59 VanDerWaalsContact C-N 3.26Å; Y57-S59 PolarHBondContact O-N 2.85Å
60	L	89.9	Confident	84.8	Confident	11 Å²	11	49.3 Å²	49.3	6%	0.058	27%	0.266	C	S	.	.	S	Bend	trans	-79.5	149	162.7	-72.3	176.8	0	0	0	109.4	V45 F58 F62 F117 A120 Y125 V140	V45-L60 HydrophobicContact CB-CD1 4.18Å; V45-L60 HydrophobicContact CG1-CD1 4.1Å; V45-L60 HydrophobicContact CG2-CD1 4.18Å; V45-L60 HydrophobicContact CG2-CG 4.23Å; F58-L60 CarbonylContact C-O 3.59Å; F58-L60 VanDerWaalsContact C-O 3.26Å; F58-L60 VanDerWaalsContact O-O 3.11Å; L60-F62 HydrophobicContact CB-CD2 3.76Å; L60-F62 HydrophobicContact CB-CE2 3.91Å; L60-F62 HydrophobicContact CD1-CE2 3.89Å; L60-F62 PolarHBondContact O-N 3.48Å; L60-F117 HydrophobicContact CB-CE1 4.44Å; L60-A120 HydrophobicContact CD1-CB 4.11Å; L60-A120 HydrophobicContact CD2-CB 3.92Å; L60-Y125 HydrophobicContact CD1-CD2 4.3Å; L60-V140 HydrophobicContact CD1-CG1 4.49Å; L60-V140 HydrophobicContact CD1-CG2 3.85Å
61	P	90.5	Very high	83.4	Confident	27 Å²	27	52.4 Å²	52.4	18%	0.175	29%	0.288	C	S	.	.	S	Bend	trans	-76.5	41.5	-173.7	30.2	-31.4	0	0	0	113.1	I107 K113 A116 F117	P61-I107 WeakPolarHBondContact O-CD1 3.45Å; P61-K113 HydrophobicContact CB-CB 3.9Å; P61-K113 HydrophobicContact CB-CD 4.1Å; P61-K113 HydrophobicContact CB-CG 3.69Å; P61-K113 HydrophobicContact CG-CB 3.77Å; P61-K113 HydrophobicContact CG-CG 4.1Å; P61-A116 HydrophobicContact CG-CB 4.32Å; P61-F117 HydrophobicContact CB-CE2 4.34Å; P61-F117 HydrophobicContact CB-CZ 4.43Å; P61-F117 HydrophobicContact CG-CD2 3.87Å; P61-F117 HydrophobicContact CG-CE1 4.23Å; P61-F117 HydrophobicContact CG-CE2 3.54Å; P61-F117 HydrophobicContact CG-CG 4.38Å; P61-F117 HydrophobicContact CG-CZ 3.72Å
62	F	89.9	Confident	82.5	Confident	16 Å²	16	52.3 Å²	52.3	7%	0.07	29%	0.291	C	S	.	.			trans	-67.5	156.4	160.2	-67.5	-63.3	0	0	0	109.8	Y57 F58 L60 F117 V140 L152	Y57-F62 HydrophobicContact CD1-CD2 4.41Å; Y57-F62 HydrophobicContact CE1-CB 3.9Å; Y57-F62 AromaticContact CE1-CD2 3.8Å; Y57-F62 HydrophobicContact CE1-CD2 3.8Å; Y57-F62 AromaticContact CE1-CG 3.97Å; Y57-F62 HydrophobicContact CE1-CG 3.97Å; Y57-F62 HydrophobicContact CE2-CD2 4.48Å; Y57-F62 AromaticContact CZ-CD2 3.84Å; F58-F62 HydrophobicContact CD1-CB 4.33Å; L60-F62 HydrophobicContact CB-CD2 3.76Å; L60-F62 HydrophobicContact CB-CE2 3.91Å; L60-F62 HydrophobicContact CD1-CE2 3.89Å; L60-F62 PolarHBondContact O-N 3.48Å; F62-F117 HydrophobicContact CD1-CE1 4.13Å; F62-F117 HydrophobicContact CD1-CZ 4.14Å; F62-F117 HydrophobicContact CD2-CE1 4.44Å; F62-F117 AromaticContact CE1-CE1 3.82Å; F62-F117 HydrophobicContact CE1-CE1 3.82Å; F62-F117 HydrophobicContact CE1-CZ 4.19Å; F62-F117 HydrophobicContact CE2-CE1 4.15Å; F62-F117 HydrophobicContact CG-CE1 4.43Å; F62-F117 AromaticContact CZ-CE1 3.83Å; F62-F117 HydrophobicContact CZ-CE1 3.83Å; F62-V140 HydrophobicContact CE2-CG2 4.41Å; F62-V140 HydrophobicContact CZ-CG1 4.06Å; F62-V140 HydrophobicContact CZ-CG2 4.33Å; F62-L152 HydrophobicContact CE1-CD1 4.49Å
63	C	87.4	Confident	81.2	Confident	28 Å²	28	57.5 Å²	57.5	19%	0.189	31%	0.31	C	S	.	.			trans	-113.1	150.4	174.1	51.4	0	0	0	0	111.5	C105 I107	C63-C105 HydrophobicContact CB-CB 4.01Å; C63-C105 WeakPolarHBondContact CB-SG 2.83Å; C63-C105 WeakPolarHBondContact SG-CB 3.4Å; C63-C105 CovalentContact SG-SG 2Å; C63-C105 PolarHBondContact SG-SG 2.71Å; C63-I107 HydrophobicContact CB-CG1 4.24Å; C63-I107 WeakPolarHBondContact SG-CG1 3.39Å
64	A	87.3	Confident	79.7	Confident	52 Å²	52	59.3 Å²	59.3	43%	0.43	32%	0.319	S	S	.	.			trans	-78.6	156.3	172.5	0	0	0	0	0	110.9	F58	F58-A64 HydrophobicContact CE1-CB 4.09Å; F58-A64 HydrophobicContact CZ-CB 4.07Å
65	G	84.6	Confident	78.3	Confident	13 Å²	13	64 Å²	64	13%	0.134	34%	0.34	C	S	.	.			trans	-70.5	-178.9	172.6	0	0	0	0	0	113.6	K67 S89 G90	G65-K67 PolarHBondContact O-N 3.29Å; G65-S89 PolarHBondContact N-O 3Å; G65-G90 CarbonylContact C-O 3.59Å; G65-G90 VanDerWaalsContact C-O 3.25Å; G65-G90 VanDerWaalsContact CA-O 3.25Å; G65-G90 WeakPolarHBondContact CA-O 3.45Å
66	S	80.4	Confident	77.2	Confident	105 Å²	105	64.9 Å²	64.9	73%	0.734	35%	0.349	S	S	*	.	S	Bend	trans	-75.4	-20.7	-172.4	53.1	0	0	0	0	114.2	G90	S66-G90 PolarHBondContact N-O 3.35Å
67	K	80.1	Confident	75.8	Confident	49 Å²	49	65 Å²	65	21%	0.213	35%	0.353	C	S	.	.			trans	-78.6	128	-178.1	-168	169.7	179.2	-178.4	0	110.4	E37 G65 F88 G90 D92	E37-K67 VanDerWaalsContact OE1-CE 3.22Å; E37-K67 WeakPolarHBondContact OE1-CE 3.41Å; E37-K67 IonicContact OE1-NZ 2.62Å; E37-K67 PolarHBondContact OE1-NZ 2.63Å; E37-K67 IonicContact OE2-NZ 2.63Å; E37-K67 PolarHBondContact OE2-NZ 3.13Å; G65-K67 PolarHBondContact O-N 3.29Å; K67-F88 HydrophobicContact CB-CE1 3.92Å; K67-F88 HydrophobicContact CB-CZ 4.23Å; K67-F88 HydrophobicContact CD-CE1 4.31Å; K67-F88 HydrophobicContact CD-CZ 4Å; K67-F88 HydrophobicContact CG-CE1 3.94Å; K67-F88 HydrophobicContact CG-CZ 4.15Å; K67-F88 WeakPolarHBondContact O-CE1 3.48Å; K67-G90 WeakPolarHBondContact CB-O 3.28Å; K67-G90 PolarHBondContact N-O 2.68Å; K67-G90 VanDerWaalsContact N-O 3.08Å; K67-G90 WeakPolarHBondContact O-CA 3.29Å; K67-D92 HydrophobicContact CD-CB 4.38Å; K67-D92 IonicContact NZ-OD1 2.8Å; K67-D92 PolarHBondContact NZ-OD1 2.98Å; K67-D92 VanDerWaalsContact NZ-OD1 3.13Å
68	K	72.5	Confident	74.4	Confident	197 Å²	197	65 Å²	65	86%	0.857	35%	0.354	S	S	*	.			trans	-108.7	-16.5	-173.2	-66.3	-172	178.7	-176.6	0	115.1
69	T	69.1	Low	73.6	Confident	108 Å²	108	62.8 Å²	62.8	66%	0.663	35%	0.345	S	S	*	.			trans	-121.5	131	-175.4	52	0	0	0	0	109.8
70	I	71.1	Confident	72.8	Confident	59 Å²	59	60.4 Å²	60.4	30%	0.303	33%	0.329	S	S	.	.			trans	-93.5	151.3	169.3	57.1	-177.1	0	0	0	109.1	W41 H72 Y73 F88	W41-I70 HydrophobicContact CH2-CD1 4Å; I70-H72 WeakPolarHBondContact CD1-O 3.39Å; I70-Y73 HydrophobicContact CD1-CD2 3.77Å; I70-Y73 HydrophobicContact CD1-CG 4.43Å; I70-F88 HydrophobicContact CG2-CB 3.85Å; I70-F88 HydrophobicContact CG2-CD1 3.74Å; I70-F88 HydrophobicContact CG2-CD2 3.66Å; I70-F88 HydrophobicContact CG2-CE1 4.15Å; I70-F88 HydrophobicContact CG2-CE2 4.11Å; I70-F88 HydrophobicContact CG2-CG 3.46Å; I70-F88 VanDerWaalsContact CG2-CG 3.46Å; I70-F88 HydrophobicContact CG2-CZ 4.34Å
71	S	58.5	Low	71.8	Confident	66 Å²	66	61.6 Å²	61.6	46%	0.462	34%	0.335	S	S	.	.	S	Bend	trans	-76.8	-35.6	173.8	46.7	0	0	0	0	112.3
72	H	61.7	Low	70.9	Confident	78 Å²	78	64 Å²	64	36%	0.361	34%	0.344	S	S	.	.			trans	-143.6	154.5	-175.9	-54.9	-81.1	0	0	0	111.4	I70	I70-H72 WeakPolarHBondContact CD1-O 3.39Å
73	Y	59.3	Low	69.8	Low	136 Å²	136	63.7 Å²	63.7	53%	0.533	35%	0.345	S	S	.	.			trans	-129.9	138.1	-178.9	-175.3	-97.1	0	0	0	110.9	W41 I70 E75	W41-Y73 HydrophobicContact CH2-CD2 4.38Å; I70-Y73 HydrophobicContact CD1-CD2 3.77Å; I70-Y73 HydrophobicContact CD1-CG 4.43Å; Y73-E75 HydrophobicContact CE1-CB 4.24Å; Y73-E75 HydrophobicContact CE1-CG 3.76Å; Y73-E75 VanDerWaalsContact OH-CD 3.27Å; Y73-E75 PolarHBondContact OH-OE1 3.46Å
74	H	57.1	Low	69.2	Low	51 Å²	51	63.3 Å²	63.3	24%	0.236	34%	0.342	C	S	.	.			trans	-128.7	125.2	-178.7	-165.9	76.1	0	0	0	112.2	H28 T76 E79	H28-H74 AromaticContact CE1-CE1 3.97Å; H28-H74 AromaticContact CE1-CG 3.71Å; H28-H74 AromaticContact CE1-ND1 3.12Å; H28-H74 PolarHBondContact CE1-ND1 3.44Å; H28-H74 AromaticContact ND1-ND1 3.6Å; H74-T76 WeakPolarHBondContact NE2-CG2 3.4Å; H74-E79 IonicContact CD2-OE1 2.69Å; H74-E79 IonicContact CD2-OE2 3.69Å; H74-E79 IonicContact NE2-OE2 3.62Å
75	E	61.1	Low	68.4	Low	106 Å²	106	63.9 Å²	63.9	50%	0.495	34%	0.336	S	S	.	.			trans	-144.7	129.2	159.6	-81.4	-173.6	-177.4	0	0	110.3	Y73	Y73-E75 HydrophobicContact CE1-CB 4.24Å; Y73-E75 HydrophobicContact CE1-CG 3.76Å; Y73-E75 VanDerWaalsContact OH-CD 3.27Å; Y73-E75 PolarHBondContact OH-OE1 3.46Å
76	T	65.3	Low	68.1	Low	53 Å²	53	63.9 Å²	63.9	33%	0.325	33%	0.333	S	S	.	.			trans	-102.8	156.1	171.1	65.5	0	0	0	0	112.1	H74 G78 E79 A80	H74-T76 WeakPolarHBondContact NE2-CG2 3.4Å; T76-G78 PolarHBondContact O-N 2.9Å; T76-E79 PolarHBondContact N-OE2 3.49Å; T76-E79 PolarHBondContact O-N 3.49Å; T76-E79 WeakPolarHBondContact OG1-CB 3.42Å; T76-E79 VanDerWaalsContact OG1-CD 3.23Å; T76-E79 WeakPolarHBondContact OG1-CG 3.37Å; T76-E79 PolarHBondContact OG1-N 3.08Å; T76-E79 PolarHBondContact OG1-OE2 3.12Å; T76-A80 PolarHBondContact O-N 3.48Å
77	L	60.2	Low	68.3	Low	84 Å²	84	61.8 Å²	61.8	44%	0.44	31%	0.311	S	S	.	.	H	α-helix	trans	-58	-33.8	175	-176.9	68.3	0	0	0	112.6	L81 T391 A394	L77-L81 HydrophobicContact CG-CD1 4.45Å; L77-L81 WeakPolarHBondContact O-CG 3.25Å; L77-L81 PolarHBondContact O-N 3.26Å; L77-L81 VanDerWaalsContact O-N 3.1Å; L77-T391 HydrophobicContact CD1-CG2 4.01Å; L77-A394 HydrophobicContact CD1-CB 4.41Å
78	G	59.1	Low	68.5	Low	3 Å²	3	61.1 Å²	61.1	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-67.4	-42.6	177.9	0	0	0	0	0	112.4	T76 L81 Q82	T76-G78 PolarHBondContact O-N 2.9Å; G78-L81 PolarHBondContact O-N 2.94Å; G78-Q82 WeakPolarHBondContact O-CG 3.5Å; G78-Q82 PolarHBondContact O-N 3.46Å; G78-Q82 VanDerWaalsContact O-N 3.15Å
79	E	72.5	Confident	69.1	Low	5 Å²	5	51.8 Å²	51.8	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-44.6	174.7	-73.9	167	153.4	0	0	111.7	H74 T76 L81 Q82 G83 V84 R318	H74-E79 IonicContact CD2-OE1 2.69Å; H74-E79 IonicContact CD2-OE2 3.69Å; H74-E79 IonicContact NE2-OE2 3.62Å; T76-E79 PolarHBondContact N-OE2 3.49Å; T76-E79 PolarHBondContact O-N 3.49Å; T76-E79 WeakPolarHBondContact OG1-CB 3.42Å; T76-E79 VanDerWaalsContact OG1-CD 3.23Å; T76-E79 WeakPolarHBondContact OG1-CG 3.37Å; T76-E79 PolarHBondContact OG1-N 3.08Å; T76-E79 PolarHBondContact OG1-OE2 3.12Å; E79-L81 VanDerWaalsContact C-N 3.29Å; E79-L81 PolarHBondContact O-N 2.69Å; E79-Q82 CarbonylContact O-C 3.57Å; E79-Q82 PolarHBondContact O-N 3.37Å; E79-G83 PolarHBondContact O-N 3.44Å; E79-G83 VanDerWaalsContact O-N 3.08Å; E79-V84 HydrophobicContact CB-CB 4.03Å; E79-V84 HydrophobicContact CB-CG1 4.46Å; E79-V84 HydrophobicContact CG-CB 4.48Å; E79-V84 PolarHBondContact O-N 3.4Å; E79-V84 VanDerWaalsContact O-N 3.09Å; E79-R318 HydrophobicContact CG-CB 3.98Å; E79-R318 IonicContact OE1-CZ 3.15Å; E79-R318 IonicContact OE1-NE 3.02Å; E79-R318 PolarHBondContact OE1-NE 3.28Å; E79-R318 IonicContact OE1-NH2 2.68Å; E79-R318 PolarHBondContact OE1-NH2 2.91Å
80	A	71	Confident	69.9	Low	21 Å²	21	46.7 Å²	46.7	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-36.2	176.8	0	0	0	0	0	112.5	T76 Q82 G83	T76-A80 PolarHBondContact O-N 3.48Å; A80-Q82 VanDerWaalsContact C-N 3.33Å; A80-G83 PolarHBondContact O-N 3.25Å
81	L	68.8	Low	70.8	Confident	36 Å²	36	44.2 Å²	44.2	19%	0.188	23%	0.225	C	C	.	.	H	α-helix	trans	-72.9	-24.9	175	-78	170.5	0	0	0	113.3	L77 G78 E79 L322 I326 T391 V395	L77-L81 HydrophobicContact CG-CD1 4.45Å; L77-L81 WeakPolarHBondContact O-CG 3.25Å; L77-L81 PolarHBondContact O-N 3.26Å; L77-L81 VanDerWaalsContact O-N 3.1Å; G78-L81 PolarHBondContact O-N 2.94Å; E79-L81 VanDerWaalsContact C-N 3.29Å; E79-L81 PolarHBondContact O-N 2.69Å; L81-L322 HydrophobicContact CB-CD2 3.73Å; L81-L322 HydrophobicContact CD1-CD2 4.29Å; L81-I326 HydrophobicContact CD1-CD1 3.48Å; L81-I326 VanDerWaalsContact CD1-CD1 3.48Å; L81-T391 HydrophobicContact CD2-CG2 3.4Å; L81-T391 VanDerWaalsContact CD2-CG2 3.4Å; L81-T391 HydrophobicContact CG-CG2 3.66Å; L81-V395 HydrophobicContact CD2-CG2 4.23Å
82	Q	72.3	Confident	72.2	Confident	77 Å²	77	44 Å²	44	36%	0.36	22%	0.218	S	C	.	.	H	α-helix	trans	-86.8	-8.9	176.6	-71.6	-177.2	-14.2	0	0	113.1	G78 E79 A80 V84 L322 R385	G78-Q82 WeakPolarHBondContact O-CG 3.5Å; G78-Q82 PolarHBondContact O-N 3.46Å; G78-Q82 VanDerWaalsContact O-N 3.15Å; E79-Q82 CarbonylContact O-C 3.57Å; E79-Q82 PolarHBondContact O-N 3.37Å; A80-Q82 VanDerWaalsContact C-N 3.33Å; Q82-V84 HydrophobicContact CB-CG2 4.24Å; Q82-L322 HydrophobicContact CG-CD2 3.99Å; Q82-R385 VanDerWaalsContact O-CD 3.24Å; Q82-R385 WeakPolarHBondContact O-CD 3.22Å
83	G	67.4	Low	73.6	Confident	10 Å²	10	40.3 Å²	40.3	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	28.5	-177.8	0	0	0	0	0	113.2	E79 A80	E79-G83 PolarHBondContact O-N 3.44Å; E79-G83 VanDerWaalsContact O-N 3.08Å; A80-G83 PolarHBondContact O-N 3.25Å
84	V	73.3	Confident	75.2	Confident	20 Å²	20	37 Å²	37	12%	0.121	19%	0.19	C	C	.	.			trans	-78.3	121.5	171.4	177.6	0	0	0	0	107.1	E79 Q82 L86	E79-V84 HydrophobicContact CB-CB 4.03Å; E79-V84 HydrophobicContact CB-CG1 4.46Å; E79-V84 HydrophobicContact CG-CB 4.48Å; E79-V84 PolarHBondContact O-N 3.4Å; E79-V84 VanDerWaalsContact O-N 3.09Å; Q82-V84 HydrophobicContact CB-CG2 4.24Å; V84-L86 HydrophobicContact CG1-CD2 3.6Å; V84-L86 HydrophobicContact CG1-CG 3.82Å
85	E	70.7	Confident	76.9	Confident	65 Å²	65	34.6 Å²	34.6	30%	0.304	18%	0.178	S	C	.	.			trans	-129.6	99.5	177.9	-164.5	172.8	-173	0	0	106.6	N43 K56	N43-E85 PolarHBondContact OD1-N 3.32Å; K56-E85 VanDerWaalsContact CD-OE2 3.32Å; K56-E85 WeakPolarHBondContact CD-OE2 3.42Å; K56-E85 WeakPolarHBondContact CE-OE1 3.35Å; K56-E85 WeakPolarHBondContact CE-OE2 3.45Å; K56-E85 IonicContact NZ-OE1 2.75Å; K56-E85 PolarHBondContact NZ-OE1 3.41Å; K56-E85 IonicContact NZ-OE2 2.68Å; K56-E85 PolarHBondContact NZ-OE2 3.46Å; K56-E85 VanDerWaalsContact NZ-OE2 3.11Å
86	L	79.5	Confident	78.4	Confident	13 Å²	13	32.7 Å²	32.7	7%	0.068	17%	0.168	C	C	.	.			trans	-86.3	116.8	-173.3	-58.9	178.9	0	0	0	109.5	W41 N43 V84 Y130	W41-L86 HydrophobicContact CB-CB 4.3Å; W41-L86 HydrophobicContact CB-CD1 4.49Å; W41-L86 HydrophobicContact CB-CD2 4.1Å; W41-L86 HydrophobicContact CD2-CB 4.1Å; W41-L86 HydrophobicContact CD2-CD1 4.35Å; W41-L86 HydrophobicContact CE3-CB 3.68Å; W41-L86 HydrophobicContact CG-CB 4.4Å; W41-L86 HydrophobicContact CG-CD1 4.27Å; W41-L86 HydrophobicContact CZ3-CB 4.31Å; N43-L86 HydrophobicContact CB-CD2 3.99Å; V84-L86 HydrophobicContact CG1-CD2 3.6Å; V84-L86 HydrophobicContact CG1-CG 3.82Å; L86-Y130 HydrophobicContact CD2-CD2 3.94Å; L86-Y130 HydrophobicContact CD2-CE2 4.37Å
87	E	82.8	Confident	79.7	Confident	60 Å²	60	33.7 Å²	33.7	28%	0.28	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.1	173.6	-66	-169.3	-131.1	0	0	110.2	M42 K56 F58 S89	M42-E87 WeakPolarHBondContact CB-O 3.31Å; M42-E87 PolarHBondContact N-O 2.87Å; M42-E87 PolarHBondContact O-N 3.19Å; K56-E87 WeakPolarHBondContact CD-OE1 3.39Å; F58-E87 HydrophobicContact CD2-CB 3.91Å; F58-E87 HydrophobicContact CD2-CG 4.44Å; F58-E87 WeakPolarHBondContact CD2-OE2 3.18Å; F58-E87 HydrophobicContact CE2-CB 3.78Å; E87-S89 PolarHBondContact O-N 2.96Å
88	F	84.9	Confident	81.3	Confident	35 Å²	35	35.3 Å²	35.3	15%	0.154	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.5	179.8	178.8	-127.5	0	0	0	111	V39 W41 K67 I70 G90	V39-F88 HydrophobicContact CG1-CD2 3.64Å; V39-F88 HydrophobicContact CG1-CE2 3.83Å; W41-F88 HydrophobicContact CZ3-CB 4.34Å; K67-F88 HydrophobicContact CB-CE1 3.92Å; K67-F88 HydrophobicContact CB-CZ 4.23Å; K67-F88 HydrophobicContact CD-CE1 4.31Å; K67-F88 HydrophobicContact CD-CZ 4Å; K67-F88 HydrophobicContact CG-CE1 3.94Å; K67-F88 HydrophobicContact CG-CZ 4.15Å; K67-F88 WeakPolarHBondContact O-CE1 3.48Å; I70-F88 HydrophobicContact CG2-CB 3.85Å; I70-F88 HydrophobicContact CG2-CD1 3.74Å; I70-F88 HydrophobicContact CG2-CD2 3.66Å; I70-F88 HydrophobicContact CG2-CE1 4.15Å; I70-F88 HydrophobicContact CG2-CE2 4.11Å; I70-F88 HydrophobicContact CG2-CG 3.46Å; I70-F88 VanDerWaalsContact CG2-CG 3.46Å; I70-F88 HydrophobicContact CG2-CZ 4.34Å; F88-G90 PolarHBondContact O-N 2.74Å
89	S	85.6	Confident	82.9	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.014	18%	0.181	C	C	.	.			trans	-65.6	-23.7	-179.7	62.2	0	0	0	0	114.6	L40 G65 E87 L91	L40-S89 WeakPolarHBondContact CB-OG 3.22Å; L40-S89 WeakPolarHBondContact O-CB 3.14Å; L40-S89 PolarHBondContact O-N 3.4Å; L40-S89 VanDerWaalsContact O-N 3.16Å; L40-S89 PolarHBondContact O-OG 3.36Å; G65-S89 PolarHBondContact N-O 3Å; E87-S89 PolarHBondContact O-N 2.96Å; S89-L91 PolarHBondContact O-N 2.99Å; S89-L91 PolarHBondContact OG-N 2.92Å
90	G	86.2	Confident	83.8	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.01	22%	0.215	C	C	.	.			trans	77.1	5.1	-173.9	0	0	0	0	0	114.4	G65 S66 K67 F88	G65-G90 CarbonylContact C-O 3.59Å; G65-G90 VanDerWaalsContact C-O 3.25Å; G65-G90 VanDerWaalsContact CA-O 3.25Å; G65-G90 WeakPolarHBondContact CA-O 3.45Å; S66-G90 PolarHBondContact N-O 3.35Å; K67-G90 WeakPolarHBondContact CB-O 3.28Å; K67-G90 PolarHBondContact N-O 2.68Å; K67-G90 VanDerWaalsContact N-O 3.08Å; K67-G90 WeakPolarHBondContact O-CA 3.29Å; F88-G90 PolarHBondContact O-N 2.74Å
91	L	89.1	Confident	84.8	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	23%	0.234	C	C	.	.			trans	-85	133.4	177.7	-56.8	-174.7	0	0	0	110.2	L40 S89 I93 Y104 Y190	L40-L91 HydrophobicContact CD2-CD1 3.81Å; S89-L91 PolarHBondContact O-N 2.99Å; S89-L91 PolarHBondContact OG-N 2.92Å; L91-I93 HydrophobicContact CB-CD1 4.4Å; L91-I93 HydrophobicContact CB-CG1 4.21Å; L91-I93 PolarHBondContact O-N 2.9Å; L91-Y104 HydrophobicContact CD2-CD1 4.05Å; L91-Y104 HydrophobicContact CD2-CD2 3.73Å; L91-Y104 HydrophobicContact CD2-CE2 4.25Å; L91-Y104 HydrophobicContact CD2-CG 3.6Å; L91-Y190 HydrophobicContact CB-CE2 4.14Å; L91-Y190 HydrophobicContact CD1-CD2 3.86Å; L91-Y190 HydrophobicContact CD1-CE2 4.2Å; L91-Y190 HydrophobicContact CD1-CG 4.01Å; L91-Y190 HydrophobicContact CD2-CD1 3.94Å; L91-Y190 HydrophobicContact CD2-CE1 3.87Å; L91-Y190 HydrophobicContact CD2-CE2 4.5Å; L91-Y190 HydrophobicContact CD2-CG 4.27Å
92	D	88.9	Confident	85.8	Confident	60 Å²	60	51 Å²	51	32%	0.321	25%	0.25	S	C	.	.			trans	-84.3	106.3	172.2	-163.1	36.8	0	0	0	108.3	K67 K94 Y190	K67-D92 HydrophobicContact CD-CB 4.38Å; K67-D92 IonicContact NZ-OD1 2.8Å; K67-D92 PolarHBondContact NZ-OD1 2.98Å; K67-D92 VanDerWaalsContact NZ-OD1 3.13Å; D92-K94 WeakPolarHBondContact OD2-CE 3.17Å; D92-K94 IonicContact OD2-NZ 3.52Å; D92-Y190 PolarHBondContact O-OH 2.99Å; D92-Y190 VanDerWaalsContact O-OH 3.11Å
93	I	91	Very high	86.7	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.253	C	S	.	.			trans	-121.7	130.9	176.4	-53.8	178.2	0	0	0	107.1	V38 L40 L91 L158 I160 Y190 V192 W194	V38-I93 HydrophobicContact CB-CB 4.49Å; V38-I93 HydrophobicContact CB-CG2 4.11Å; V38-I93 PolarHBondContact N-O 3.39Å; L40-I93 HydrophobicContact CB-CD1 3.98Å; L40-I93 HydrophobicContact CD2-CD1 4.45Å; L91-I93 HydrophobicContact CB-CD1 4.4Å; L91-I93 HydrophobicContact CB-CG1 4.21Å; L91-I93 PolarHBondContact O-N 2.9Å; I93-L158 HydrophobicContact CD1-CD1 4.08Å; I93-I160 HydrophobicContact CG2-CD1 4.33Å; I93-Y190 HydrophobicContact CG1-CE2 4.38Å; I93-V192 HydrophobicContact CD1-CG2 4.22Å; I93-V192 HydrophobicContact CG1-CG2 4.11Å; I93-V192 HydrophobicContact CG2-CG1 4.18Å; I93-V192 HydrophobicContact CG2-CG2 4.29Å; I93-W194 HydrophobicContact CG2-CZ2 4.31Å
94	K	92.2	Very high	87.9	Confident	67 Å²	67	51.8 Å²	51.8	29%	0.291	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-125.4	143.3	-179.7	-72	170.9	-175.5	162.5	0	110.9	E36 D92 K96 E97 W194	E36-K94 CarbonylContact O-C 3.6Å; E36-K94 VanDerWaalsContact O-CA 3.23Å; E36-K94 WeakPolarHBondContact O-CA 3.22Å; D92-K94 WeakPolarHBondContact OD2-CE 3.17Å; D92-K94 IonicContact OD2-NZ 3.52Å; K94-K96 PolarHBondContact O-N 3.32Å; K94-E97 HydrophobicContact CB-CB 3.8Å; K94-E97 WeakPolarHBondContact CD-OE2 3.49Å; K94-E97 PolarHBondContact O-N 2.85Å; K94-E97 VanDerWaalsContact O-N 3.09Å; K94-W194 VanDerWaalsContact O-CZ2 3.31Å; K94-W194 WeakPolarHBondContact O-CZ2 3.38Å; K94-W194 PolarHBondContact O-NE1 3.37Å; K94-W194 VanDerWaalsContact O-NE1 3.17Å
95	F	92.4	Very high	88.8	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	125.8	-177.2	-172.2	-116.2	0	0	0	111	Y32 T33 K35 E36 V38 E97 I167 W194	Y32-F95 HydrophobicContact CD2-CD2 4.35Å; Y32-F95 HydrophobicContact CD2-CE2 4.38Å; Y32-F95 HydrophobicContact CG-CD2 4.12Å; Y32-F95 HydrophobicContact CG-CG 4.29Å; T33-F95 WeakPolarHBondContact O-CD1 3.29Å; K35-F95 PolarHBondContact N-O 3.21Å; E36-F95 HydrophobicContact CB-CB 4.49Å; E36-F95 PolarHBondContact O-N 3.46Å; V38-F95 HydrophobicContact CG2-CB 3.95Å; V38-F95 HydrophobicContact CG2-CD2 4.41Å; F95-E97 PolarHBondContact O-N 2.89Å; F95-I167 HydrophobicContact CD2-CG1 4.3Å; F95-I167 HydrophobicContact CE2-CG1 4.02Å; F95-W194 HydrophobicContact CD2-CE3 4.43Å; F95-W194 AromaticContact CD2-CH2 3.53Å; F95-W194 HydrophobicContact CD2-CH2 3.53Å; F95-W194 HydrophobicContact CD2-CZ2 4.32Å; F95-W194 AromaticContact CD2-CZ3 3.57Å; F95-W194 HydrophobicContact CD2-CZ3 3.57Å; F95-W194 HydrophobicContact CE2-CE3 4.48Å; F95-W194 HydrophobicContact CE2-CH2 4.15Å; F95-W194 AromaticContact CE2-CZ3 3.72Å; F95-W194 HydrophobicContact CE2-CZ3 3.72Å; F95-W194 HydrophobicContact CG-CH2 4.46Å
96	K	92.2	Very high	89.7	Confident	66 Å²	66	51 Å²	51	29%	0.287	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	15.7	-175.1	-58	176.6	-171.9	148.5	0	115.7	D34 K94 Y162 G164 W194	D34-K96 WeakPolarHBondContact OD1-CD 3.38Å; D34-K96 IonicContact OD1-NZ 2.72Å; D34-K96 PolarHBondContact OD1-NZ 3.45Å; K94-K96 PolarHBondContact O-N 3.32Å; K96-Y162 HydrophobicContact CD-CD2 4.48Å; K96-Y162 HydrophobicContact CD-CE2 4.13Å; K96-Y162 HydrophobicContact CG-CD2 4.44Å; K96-Y162 HydrophobicContact CG-CE1 4.43Å; K96-Y162 HydrophobicContact CG-CE2 4.32Å; K96-G164 WeakPolarHBondContact CE-O 3.4Å; K96-G164 PolarHBondContact NZ-O 2.86Å; K96-W194 VanDerWaalsContact N-CE2 3.3Å
97	E	93.6	Very high	90.3	Very high	75 Å²	75	50.8 Å²	50.8	35%	0.35	26%	0.255	S	S	.	.			trans	-102.6	116.8	174	-166.2	170	161.8	0	0	110.4	K94 F95 W194	K94-E97 HydrophobicContact CB-CB 3.8Å; K94-E97 WeakPolarHBondContact CD-OE2 3.49Å; K94-E97 PolarHBondContact O-N 2.85Å; K94-E97 VanDerWaalsContact O-N 3.09Å; F95-E97 PolarHBondContact O-N 2.89Å; E97-W194 VanDerWaalsContact C-CD1 3.48Å; E97-W194 PolarHBondContact O-NE1 2.69Å
98	E	93.4	Very high	90.7	Very high	117 Å²	117	51.9 Å²	51.9	55%	0.547	26%	0.263	S	S	.	.			trans	-75.8	133.7	177.1	-64.7	-164.9	157.6	0	0	111.1	V192	E98-V192 WeakPolarHBondContact CA-O 3.33Å
99	V	92.9	Very high	90.9	Very high	27 Å²	27	50.3 Å²	50.3	16%	0.164	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.8	175	-177.6	0	0	0	0	107.7	Y190 S191 V192	V99-Y190 HydrophobicContact CB-CE2 4.48Å; V99-Y190 HydrophobicContact CG1-CE2 4.02Å; V99-S191 CarbonylContact O-C 3.51Å; V99-S191 VanDerWaalsContact O-CA 3.28Å; V99-S191 WeakPolarHBondContact O-CA 3.42Å; V99-S191 VanDerWaalsContact O-CB 3.3Å; V99-S191 WeakPolarHBondContact O-CB 3.47Å; V99-V192 HydrophobicContact CB-CB 4.01Å; V99-V192 HydrophobicContact CB-CG2 4.17Å; V99-V192 HydrophobicContact CG2-CB 4.19Å; V99-V192 HydrophobicContact CG2-CG2 4.28Å; V99-V192 PolarHBondContact N-O 2.86Å; V99-V192 PolarHBondContact O-N 3.12Å
100	M	92.6	Very high	91.1	Very high	150 Å²	150	53.8 Å²	53.8	74%	0.739	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	157.2	171.7	-66.5	-64.1	-79.6	0	0	110.2	N102	M100-N102 PolarHBondContact O-N 3.11Å
101	Q	91.8	Very high	91.3	Very high	124 Å²	124	60.7 Å²	60.7	58%	0.579	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.5	111.7	-177.8	-179.4	176	-7	0	0	110.9	Y155 Y190	Q101-Y155 HydrophobicContact CB-CE2 4.19Å; Q101-Y155 HydrophobicContact CG-CD2 4.14Å; Q101-Y155 HydrophobicContact CG-CE2 3.7Å; Q101-Y190 WeakPolarHBondContact CA-O 3.17Å
102	N	89.5	Confident	91.4	Very high	95 Å²	95	64.8 Å²	64.8	51%	0.508	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139	-179	-169.3	17.1	0	0	0	110	M100 Y104 S189 Y190	M100-N102 PolarHBondContact O-N 3.11Å; N102-Y104 PolarHBondContact O-N 2.64Å; N102-S189 CarbonylContact O-C 3.59Å; N102-S189 VanDerWaalsContact O-CA 3.22Å; N102-S189 WeakPolarHBondContact O-CA 3.5Å; N102-S189 WeakPolarHBondContact O-CB 3.24Å; N102-Y190 PolarHBondContact N-O 3.19Å; N102-Y190 PolarHBondContact O-N 3.32Å
103	T	91.8	Very high	91.5	Very high	69 Å²	69	65.3 Å²	65.3	42%	0.423	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.2	173.8	-59.9	0	0	0	0	108.5	C105 A187 M188 S189	T103-C105 WeakPolarHBondContact CG2-O 3.11Å; T103-A187 HydrophobicContact CG2-CB 3.82Å; T103-M188 CarbonylContact C-O 3.5Å; T103-M188 WeakPolarHBondContact CA-O 3.25Å; T103-M188 WeakPolarHBondContact CG2-O 3.4Å; T103-S189 PolarHBondContact OG1-OG 2.96Å
104	Y	91.3	Very high	91.5	Very high	34 Å²	34	66.6 Å²	66.6	13%	0.133	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-22.3	-177.6	68.3	-91	0	0	0	112.6	L91 N102 M188 Y190	L91-Y104 HydrophobicContact CD2-CD1 4.05Å; L91-Y104 HydrophobicContact CD2-CD2 3.73Å; L91-Y104 HydrophobicContact CD2-CE2 4.25Å; L91-Y104 HydrophobicContact CD2-CG 3.6Å; N102-Y104 PolarHBondContact O-N 2.64Å; Y104-M188 HydrophobicContact CD1-CB 4.21Å; Y104-M188 WeakPolarHBondContact CD1-O 3.36Å; Y104-M188 HydrophobicContact CE1-CB 3.52Å; Y104-M188 HydrophobicContact CE2-CB 4.15Å; Y104-M188 VanDerWaalsContact CZ-CB 3.49Å; Y104-M188 PolarHBondContact N-O 2.96Å; Y104-Y190 AromaticContact CD1-CD1 3.72Å; Y104-Y190 HydrophobicContact CD1-CD1 3.72Å; Y104-Y190 HydrophobicContact CD1-CG 4.39Å; Y104-Y190 HydrophobicContact CG-CD1 4.14Å
105	C	91.4	Very high	91.5	Very high	25 Å²	25	67.5 Å²	67.5	17%	0.169	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	159.3	-179.9	169.3	0	0	0	0	111.6	C63 T103 M188	C63-C105 HydrophobicContact CB-CB 4.01Å; C63-C105 WeakPolarHBondContact CB-SG 2.83Å; C63-C105 WeakPolarHBondContact SG-CB 3.4Å; C63-C105 CovalentContact SG-SG 2Å; C63-C105 PolarHBondContact SG-SG 2.71Å; T103-C105 WeakPolarHBondContact CG2-O 3.11Å; C105-M188 PolarHBondContact O-N 3.36Å
106	S	91.4	Very high	91.5	Very high	43 Å²	43	69 Å²	69	30%	0.301	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.3	167.2	-59.5	0	0	0	0	110.9	I186	S106-I186 CarbonylContact C-O 3.51Å; S106-I186 VanDerWaalsContact CA-O 3.32Å; S106-I186 WeakPolarHBondContact CA-O 2.89Å
107	I	91.4	Very high	91.5	Very high	9 Å²	9	65.9 Å²	65.9	5%	0.046	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125	179.8	-57.6	164.9	0	0	0	108.4	P61 C63 R185 I186 M188	P61-I107 WeakPolarHBondContact O-CD1 3.45Å; C63-I107 HydrophobicContact CB-CG1 4.24Å; C63-I107 WeakPolarHBondContact SG-CG1 3.39Å; I107-R185 WeakPolarHBondContact O-CA 3.46Å; I107-I186 PolarHBondContact N-O 2.87Å; I107-I186 PolarHBondContact O-N 3.06Å; I107-M188 HydrophobicContact CD1-CE 3.57Å; I107-M188 HydrophobicContact CD1-CG 3.73Å; I107-M188 HydrophobicContact CD1-SD 4.47Å; I107-M188 HydrophobicContact CG1-CG 4.33Å
108	D	91.3	Very high	91.5	Very high	83 Å²	83	63.4 Å²	63.4	44%	0.444	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.5	169.2	-59	-41.7	0	0	0	108.9	D110 K113 R185	D108-D110 PolarHBondContact O-N 3.41Å; D108-K113 VanDerWaalsContact O-CD 3.25Å; D108-K113 WeakPolarHBondContact O-CD 3.35Å; D108-K113 PolarHBondContact O-NZ 2.85Å; D108-R185 VanDerWaalsContact OD1-CD 3.24Å; D108-R185 WeakPolarHBondContact OD1-CD 3.4Å; D108-R185 VanDerWaalsContact OD1-CG 3.24Å; D108-R185 WeakPolarHBondContact OD1-CG 3.32Å; D108-R185 IonicContact OD1-NE 3.41Å; D108-R185 PolarHBondContact OD1-NE 3.39Å
109	L	89.3	Confident	91.5	Very high	2 Å²	2	64 Å²	64	1%	0.01	33%	0.332	C	S	.	.			trans	-85	90.2	-177.5	-93.4	130.6	0	0	0	112.2	Q114 F117 L180 N183 T184 I186	L109-Q114 HydrophobicContact CD2-CB 3.69Å; L109-Q114 HydrophobicContact CD2-CG 4.15Å; L109-F117 HydrophobicContact CD2-CD2 4.13Å; L109-L180 HydrophobicContact CD1-CD2 4.23Å; L109-L180 HydrophobicContact CD2-CD2 3.96Å; L109-N183 WeakPolarHBondContact O-CA 3.24Å; L109-N183 PolarHBondContact O-N 2.79Å; L109-T184 WeakPolarHBondContact CB-O 3.23Å; L109-T184 PolarHBondContact N-O 3.13Å; L109-I186 HydrophobicContact CD1-CB 4.11Å; L109-I186 HydrophobicContact CD1-CD1 3.16Å; L109-I186 HydrophobicContact CD1-CG1 3.4Å
110	D	90.1	Very high	91.4	Very high	75 Å²	75	62.8 Å²	62.8	40%	0.401	32%	0.324	S	S	.	.			trans	-71	155.1	161.7	-50.1	-53.9	0	0	0	110.2	D108 P112 K113 Q114	D108-D110 PolarHBondContact O-N 3.41Å; D110-P112 VanDerWaalsContact C-CD 3.48Å; D110-P112 HydrophobicContact CB-CG 4.13Å; D110-K113 HydrophobicContact CB-CD 4.47Å; D110-K113 PolarHBondContact O-N 3.26Å; D110-K113 WeakPolarHBondContact OD2-CE 3.43Å; D110-K113 IonicContact OD2-NZ 3.94Å; D110-K113 PolarHBondContact OD2-NZ 2.82Å; D110-Q114 PolarHBondContact O-N 2.91Å
111	K	89.3	Confident	91.5	Very high	145 Å²	145	55.8 Å²	55.8	63%	0.63	29%	0.29	S	S	*	.	H	α-helix	trans	-45.6	-48.6	175.8	-167.9	172.8	-177.1	177.5	0	114.5	K113 Q114 D115	K111-K113 PolarHBondContact O-N 2.9Å; K111-Q114 WeakPolarHBondContact O-CB 3.14Å; K111-Q114 PolarHBondContact O-N 3.16Å; K111-D115 VanDerWaalsContact O-CG 3.27Å; K111-D115 PolarHBondContact O-N 2Å
112	P	91.4	Very high	91.4	Very high	93 Å²	93	56 Å²	56	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-64.7	-35.5	178.6	25	-35.7	0	0	0	113.7	D110 D115 A116	D110-P112 VanDerWaalsContact C-CD 3.48Å; D110-P112 HydrophobicContact CB-CG 4.13Å; P112-D115 PolarHBondContact O-N 3.23Å; P112-A116 PolarHBondContact O-N 3.12Å; P112-A116 VanDerWaalsContact O-N 3.08Å
113	K	90.7	Very high	91.4	Very high	71 Å²	71	53.2 Å²	53.2	31%	0.309	27%	0.274	S	S	.	.	H	α-helix	trans	-69.8	-38.1	177.2	-66.6	175.2	-179.6	147.7	0	111.1	P61 D108 D110 K111 A116 F117	P61-K113 HydrophobicContact CB-CB 3.9Å; P61-K113 HydrophobicContact CB-CD 4.1Å; P61-K113 HydrophobicContact CB-CG 3.69Å; P61-K113 HydrophobicContact CG-CB 3.77Å; P61-K113 HydrophobicContact CG-CG 4.1Å; D108-K113 VanDerWaalsContact O-CD 3.25Å; D108-K113 WeakPolarHBondContact O-CD 3.35Å; D108-K113 PolarHBondContact O-NZ 2.85Å; D110-K113 HydrophobicContact CB-CD 4.47Å; D110-K113 PolarHBondContact O-N 3.26Å; D110-K113 WeakPolarHBondContact OD2-CE 3.43Å; D110-K113 IonicContact OD2-NZ 3.94Å; D110-K113 PolarHBondContact OD2-NZ 2.82Å; K111-K113 PolarHBondContact O-N 2.9Å; K113-A116 PolarHBondContact O-N 2.9Å; K113-F117 WeakPolarHBondContact O-CD2 3.5Å; K113-F117 PolarHBondContact O-N 3.15Å; K113-F117 VanDerWaalsContact O-N 3.14Å
114	Q	91	Very high	91.4	Very high	28 Å²	28	55.7 Å²	55.7	13%	0.131	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-50.2	174.1	-173.9	-170	19.2	0	0	110.6	L109 D110 K111 A116 F117 V118 L180	L109-Q114 HydrophobicContact CD2-CB 3.69Å; L109-Q114 HydrophobicContact CD2-CG 4.15Å; D110-Q114 PolarHBondContact O-N 2.91Å; K111-Q114 WeakPolarHBondContact O-CB 3.14Å; K111-Q114 PolarHBondContact O-N 3.16Å; Q114-A116 PolarHBondContact O-N 2.9Å; Q114-F117 PolarHBondContact O-N 2.86Å; Q114-F117 VanDerWaalsContact O-N 3.13Å; Q114-V118 HydrophobicContact CG-CG2 4.28Å; Q114-V118 WeakPolarHBondContact O-CB 3.16Å; Q114-V118 WeakPolarHBondContact O-CG2 3.5Å; Q114-V118 PolarHBondContact O-N 2.69Å; Q114-L180 HydrophobicContact CG-CB 4.41Å; Q114-L180 PolarHBondContact NE2-O 2.94Å
115	D	92.1	Very high	91.5	Very high	86 Å²	86	54.8 Å²	54.8	46%	0.46	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-38.5	179.8	-69.6	-24	0	0	0	111.2	K111 P112 V118 Y119	K111-D115 VanDerWaalsContact O-CG 3.27Å; K111-D115 PolarHBondContact O-N 2Å; P112-D115 PolarHBondContact O-N 3.23Å; D115-V118 PolarHBondContact O-N 3.3Å; D115-Y119 VanDerWaalsContact O-CB 3.24Å; D115-Y119 WeakPolarHBondContact O-CB 3.37Å; D115-Y119 PolarHBondContact O-N 2.99Å
116	A	92.7	Very high	91.5	Very high	33 Å²	33	54.3 Å²	54.3	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-47	174.7	0	0	0	0	0	112.8	P61 P112 K113 Q114 Y119 A120	P61-A116 HydrophobicContact CG-CB 4.32Å; P112-A116 PolarHBondContact O-N 3.12Å; P112-A116 VanDerWaalsContact O-N 3.08Å; K113-A116 PolarHBondContact O-N 2.9Å; Q114-A116 PolarHBondContact O-N 2.9Å; A116-Y119 PolarHBondContact O-N 2.71Å; A116-A120 WeakPolarHBondContact O-CB 3.08Å; A116-A120 PolarHBondContact O-N 3.16Å
117	F	93.3	Very high	91.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-41	176.2	-77.3	-52.8	0	0	0	112.5	L60 P61 F62 L109 K113 Q114 Y119 A120 I121 V140 L152 L180	L60-F117 HydrophobicContact CB-CE1 4.44Å; P61-F117 HydrophobicContact CB-CE2 4.34Å; P61-F117 HydrophobicContact CB-CZ 4.43Å; P61-F117 HydrophobicContact CG-CD2 3.87Å; P61-F117 HydrophobicContact CG-CE1 4.23Å; P61-F117 HydrophobicContact CG-CE2 3.54Å; P61-F117 HydrophobicContact CG-CG 4.38Å; P61-F117 HydrophobicContact CG-CZ 3.72Å; F62-F117 HydrophobicContact CD1-CE1 4.13Å; F62-F117 HydrophobicContact CD1-CZ 4.14Å; F62-F117 HydrophobicContact CD2-CE1 4.44Å; F62-F117 AromaticContact CE1-CE1 3.82Å; F62-F117 HydrophobicContact CE1-CE1 3.82Å; F62-F117 HydrophobicContact CE1-CZ 4.19Å; F62-F117 HydrophobicContact CE2-CE1 4.15Å; F62-F117 HydrophobicContact CG-CE1 4.43Å; F62-F117 AromaticContact CZ-CE1 3.83Å; F62-F117 HydrophobicContact CZ-CE1 3.83Å; L109-F117 HydrophobicContact CD2-CD2 4.13Å; K113-F117 WeakPolarHBondContact O-CD2 3.5Å; K113-F117 PolarHBondContact O-N 3.15Å; K113-F117 VanDerWaalsContact O-N 3.14Å; Q114-F117 PolarHBondContact O-N 2.86Å; Q114-F117 VanDerWaalsContact O-N 3.13Å; F117-Y119 VanDerWaalsContact C-N 3.32Å; F117-Y119 PolarHBondContact O-N 2.98Å; F117-A120 WeakPolarHBondContact O-CB 3.49Å; F117-A120 PolarHBondContact O-N 3.09Å; F117-I121 VanDerWaalsContact O-CG1 3.25Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-I121 PolarHBondContact O-N 2.89Å; F117-V140 HydrophobicContact CD1-CG1 4.06Å; F117-L152 HydrophobicContact CD1-CD1 3.78Å; F117-L152 HydrophobicContact CD2-CD2 4.28Å; F117-L152 HydrophobicContact CE1-CD1 3.94Å; F117-L152 HydrophobicContact CE1-CD2 4.32Å; F117-L152 HydrophobicContact CE2-CD2 4.02Å; F117-L152 HydrophobicContact CG-CD1 4.25Å; F117-L152 HydrophobicContact CZ-CD1 4.49Å; F117-L152 HydrophobicContact CZ-CD2 4.06Å; F117-L180 HydrophobicContact CB-CD1 3.7Å; F117-L180 HydrophobicContact CB-CD2 4.4Å; F117-L180 HydrophobicContact CD2-CD2 4.43Å
118	V	92.9	Very high	91.6	Very high	23 Å²	23	52.9 Å²	52.9	14%	0.139	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-44.8	176	167.1	0	0	0	0	110.4	Q114 D115 A120 I121 K122 H150 L180	Q114-V118 HydrophobicContact CG-CG2 4.28Å; Q114-V118 WeakPolarHBondContact O-CB 3.16Å; Q114-V118 WeakPolarHBondContact O-CG2 3.5Å; Q114-V118 PolarHBondContact O-N 2.69Å; D115-V118 PolarHBondContact O-N 3.3Å; V118-A120 PolarHBondContact O-N 3.18Å; V118-I121 PolarHBondContact O-N 2.67Å; V118-K122 HydrophobicContact CG1-CD 4.12Å; V118-K122 HydrophobicContact CG1-CG 4.47Å; V118-K122 WeakPolarHBondContact O-CB 3.46Å; V118-K122 WeakPolarHBondContact O-CG 3.41Å; V118-K122 PolarHBondContact O-N 3.2Å; V118-H150 VanDerWaalsContact CG1-CD2 3.46Å; V118-H150 WeakPolarHBondContact CG1-CD2 3.31Å; V118-H150 HydrophobicContact CG2-CB 4.32Å; V118-L180 HydrophobicContact CG2-CD1 3.96Å
119	Y	92.4	Very high	91.6	Very high	130 Å²	130	49 Å²	49	51%	0.51	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-44.9	175.3	178.6	-96	0	0	0	111.9	D115 A116 F117 I121 K122 N123 Y125	D115-Y119 VanDerWaalsContact O-CB 3.24Å; D115-Y119 WeakPolarHBondContact O-CB 3.37Å; D115-Y119 PolarHBondContact O-N 2.99Å; A116-Y119 PolarHBondContact O-N 2.71Å; F117-Y119 VanDerWaalsContact C-N 3.32Å; F117-Y119 PolarHBondContact O-N 2.98Å; Y119-I121 PolarHBondContact O-N 3.02Å; Y119-K122 PolarHBondContact O-N 2.83Å; Y119-N123 VanDerWaalsContact CE2-ND2 3.34Å; Y119-N123 WeakPolarHBondContact CE2-ND2 3.16Å; Y119-N123 PolarHBondContact O-N 3.23Å; Y119-N123 VanDerWaalsContact O-N 3.14Å; Y119-N123 PolarHBondContact O-ND2 2.7Å; Y119-Y125 HydrophobicContact CE1-CE1 4.28Å; Y119-Y125 AromaticContact CE1-CZ 3.97Å; Y119-Y125 WeakPolarHBondContact CE1-OH 3.24Å
120	A	92.6	Very high	91.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-44.2	177.5	0	0	0	0	0	112	L60 A116 F117 V118 N123 H124 Y125 V140	L60-A120 HydrophobicContact CD1-CB 4.11Å; L60-A120 HydrophobicContact CD2-CB 3.92Å; A116-A120 WeakPolarHBondContact O-CB 3.08Å; A116-A120 PolarHBondContact O-N 3.16Å; F117-A120 WeakPolarHBondContact O-CB 3.49Å; F117-A120 PolarHBondContact O-N 3.09Å; V118-A120 PolarHBondContact O-N 3.18Å; A120-N123 CarbonylContact O-C 3.6Å; A120-N123 PolarHBondContact O-N 3.27Å; A120-H124 PolarHBondContact O-N 3.47Å; A120-Y125 HydrophobicContact CB-CD1 4.34Å; A120-Y125 HydrophobicContact CB-CD2 3.83Å; A120-Y125 HydrophobicContact CB-CG 3.73Å; A120-Y125 WeakPolarHBondContact O-CB 3.47Å; A120-Y125 WeakPolarHBondContact O-CD1 3.46Å; A120-Y125 PolarHBondContact O-N 2.94Å; A120-V140 HydrophobicContact CB-CG1 4.33Å
121	I	93	Very high	91.6	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-45.3	178.6	-67.8	165.3	0	0	0	111	F117 V118 Y119 N123 H124 V140 A143 H150 Y151 L180	F117-I121 VanDerWaalsContact O-CG1 3.25Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-I121 PolarHBondContact O-N 2.89Å; V118-I121 PolarHBondContact O-N 2.67Å; Y119-I121 PolarHBondContact O-N 3.02Å; I121-N123 PolarHBondContact O-N 2.83Å; I121-H124 PolarHBondContact O-N 3.35Å; I121-V140 HydrophobicContact CG1-CG1 4.46Å; I121-A143 HydrophobicContact CG2-CB 4.18Å; I121-H150 HydrophobicContact CD1-CB 4.06Å; I121-H150 HydrophobicContact CG2-CB 4.39Å; I121-Y151 WeakPolarHBondContact CD1-O 3.5Å; I121-L180 HydrophobicContact CD1-CD1 3.59Å
122	K	90.8	Very high	91.5	Very high	128 Å²	128	39.6 Å²	39.6	56%	0.557	19%	0.194	S	C	*	.	H	α-helix	trans	-59.6	-32	177.9	-77	-177.6	179.1	-176.2	0	113.2	V118 Y119 H150	V118-K122 HydrophobicContact CG1-CD 4.12Å; V118-K122 HydrophobicContact CG1-CG 4.47Å; V118-K122 WeakPolarHBondContact O-CB 3.46Å; V118-K122 WeakPolarHBondContact O-CG 3.41Å; V118-K122 PolarHBondContact O-N 3.2Å; Y119-K122 PolarHBondContact O-N 2.83Å; K122-H150 WeakPolarHBondContact CE-NE2 3.18Å
123	N	89.4	Confident	91.3	Very high	36 Å²	36	36.6 Å²	36.6	19%	0.193	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	15	179	-68.8	-82.6	0	0	0	113.1	Y119 A120 I121 Y125 Y541	Y119-N123 VanDerWaalsContact CE2-ND2 3.34Å; Y119-N123 WeakPolarHBondContact CE2-ND2 3.16Å; Y119-N123 PolarHBondContact O-N 3.23Å; Y119-N123 VanDerWaalsContact O-N 3.14Å; Y119-N123 PolarHBondContact O-ND2 2.7Å; A120-N123 CarbonylContact O-C 3.6Å; A120-N123 PolarHBondContact O-N 3.27Å; I121-N123 PolarHBondContact O-N 2.83Å; N123-Y125 HydrophobicContact CB-CD1 3.68Å; N123-Y125 HydrophobicContact CB-CE1 3.49Å; N123-Y125 VanDerWaalsContact CB-CE1 3.49Å; N123-Y125 PolarHBondContact O-N 2.73Å; N123-Y541 PolarHBondContact OD1-OH 2.96Å
124	H	91	Very high	91.2	Very high	121 Å²	121	33.2 Å²	33.2	56%	0.56	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	54.7	-179.4	-60.8	-72	0	0	0	112.9	Y48 A120 I121 W126	Y48-H124 WeakPolarHBondContact CB-O 3.39Å; Y48-H124 PolarHBondContact N-O 3.31Å; A120-H124 PolarHBondContact O-N 3.47Å; I121-H124 PolarHBondContact O-N 3.35Å; H124-W126 PolarHBondContact O-N 2.81Å
125	Y	93.2	Very high	91.1	Very high	15 Å²	15	32.4 Å²	32.4	6%	0.059	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.6	179.2	-85.4	38.8	0	0	0	111	G46 P47 L60 Y119 A120 N123 V140	G46-Y125 CarbonylContact O-C 3.53Å; G46-Y125 VanDerWaalsContact O-CA 3.24Å; G46-Y125 WeakPolarHBondContact O-CA 3.2Å; P47-Y125 HydrophobicContact CB-CD1 4.05Å; P47-Y125 HydrophobicContact CB-CE1 3.74Å; P47-Y125 HydrophobicContact CG-CE1 4.25Å; L60-Y125 HydrophobicContact CD1-CD2 4.3Å; Y119-Y125 HydrophobicContact CE1-CE1 4.28Å; Y119-Y125 AromaticContact CE1-CZ 3.97Å; Y119-Y125 WeakPolarHBondContact CE1-OH 3.24Å; A120-Y125 HydrophobicContact CB-CD1 4.34Å; A120-Y125 HydrophobicContact CB-CD2 3.83Å; A120-Y125 HydrophobicContact CB-CG 3.73Å; A120-Y125 WeakPolarHBondContact O-CB 3.47Å; A120-Y125 WeakPolarHBondContact O-CD1 3.46Å; A120-Y125 PolarHBondContact O-N 2.94Å; N123-Y125 HydrophobicContact CB-CD1 3.68Å; N123-Y125 HydrophobicContact CB-CE1 3.49Å; N123-Y125 VanDerWaalsContact CB-CE1 3.49Å; N123-Y125 PolarHBondContact O-N 2.73Å; Y125-V140 PolarHBondContact O-N 2.82Å
126	W	92.8	Very high	91.1	Very high	16 Å²	16	28.6 Å²	28.6	6%	0.061	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	163.4	168.9	66.8	-78.3	0	0	0	109.5	V45 G46 P47 Y48 T54 H124 Q128 W137 G138	V45-W126 VanDerWaalsContact CA-O 3.31Å; V45-W126 WeakPolarHBondContact CA-O 3.4Å; G46-W126 PolarHBondContact N-O 3.32Å; G46-W126 PolarHBondContact O-N 2.73Å; G46-W126 PolarHBondContact O-NE1 2.81Å; P47-W126 PolarHBondContact O-NE1 2.98Å; Y48-W126 VanDerWaalsContact CA-CD1 3.5Å; T54-W126 HydrophobicContact CG2-CZ2 4.31Å; H124-W126 PolarHBondContact O-N 2.81Å; W126-Q128 HydrophobicContact CE3-CB 4.41Å; W126-Q128 HydrophobicContact CH2-CB 4.43Å; W126-Q128 HydrophobicContact CZ3-CB 3.65Å; W126-Q128 HydrophobicContact CZ3-CG 4.1Å; W126-W137 AromaticContact CE3-CD1 3.5Å; W126-W137 AromaticContact CZ3-CD1 3.32Å; W126-W137 AromaticContact CZ3-NE1 3.6Å; W126-G138 CarbonylContact C-O 3.31Å; W126-G138 VanDerWaalsContact CA-O 3.23Å; W126-G138 WeakPolarHBondContact CA-O 3.46Å
127	Y	92.4	Very high	91.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.5	172.6	61.5	-98.5	0	0	0	111.1	T44 Y57 M129 W137 G138 I139 V140 K156 L172 S174	T44-Y127 CarbonylContact O-C 3.25Å; T44-Y127 VanDerWaalsContact O-CA 3.26Å; T44-Y127 WeakPolarHBondContact O-CA 3.48Å; Y57-Y127 HydrophobicContact CD2-CG 4.42Å; Y57-Y127 HydrophobicContact CE2-CD1 4.49Å; Y57-Y127 AromaticContact CE2-CD2 3.74Å; Y57-Y127 HydrophobicContact CE2-CD2 3.74Å; Y57-Y127 AromaticContact CE2-CG 3.73Å; Y57-Y127 HydrophobicContact CE2-CG 3.73Å; Y127-M129 HydrophobicContact CD2-CG 4.1Å; Y127-M129 HydrophobicContact CD2-SD 4.3Å; Y127-M129 HydrophobicContact CE2-CE 3.93Å; Y127-M129 HydrophobicContact CE2-CG 4.37Å; Y127-M129 HydrophobicContact CE2-SD 4.03Å; Y127-W137 WeakPolarHBondContact O-CA 3.44Å; Y127-G138 WeakPolarHBondContact CD1-O 3.44Å; Y127-G138 VanDerWaalsContact CE1-C 3.49Å; Y127-G138 PolarHBondContact N-O 3.48Å; Y127-G138 PolarHBondContact O-N 3.28Å; Y127-I139 WeakPolarHBondContact CE1-O 3.38Å; Y127-V140 HydrophobicContact CD1-CG2 4.1Å; Y127-K156 PolarHBondContact OH-NZ 2.9Å; Y127-L172 HydrophobicContact CE2-CD2 4Å; Y127-S174 PolarHBondContact OH-OG 3.03Å
128	Q	90.9	Very high	91	Very high	20 Å²	20	32.7 Å²	32.7	9%	0.093	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.5	177.8	-152	177.1	16	0	0	111.5	N43 T44 W126 Y130 I136	N43-Q128 HydrophobicContact CB-CB 4.3Å; N43-Q128 PolarHBondContact N-O 2.88Å; N43-Q128 PolarHBondContact ND2-OE1 3.22Å; T44-Q128 PolarHBondContact O-N 3.34Å; W126-Q128 HydrophobicContact CE3-CB 4.41Å; W126-Q128 HydrophobicContact CH2-CB 4.43Å; W126-Q128 HydrophobicContact CZ3-CB 3.65Å; W126-Q128 HydrophobicContact CZ3-CG 4.1Å; Q128-Y130 VanDerWaalsContact CD-OH 3.29Å; Q128-Y130 HydrophobicContact CG-CE2 4.31Å; Q128-Y130 PolarHBondContact NE2-OH 3.49Å; Q128-Y130 PolarHBondContact OE1-OH 2.76Å; Q128-I136 CarbonylContact C-O 3.55Å; Q128-I136 WeakPolarHBondContact CA-O 3.39Å
129	M	91.8	Very high	91	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	164.3	169.5	-49.2	177.4	-60.3	0	0	109.6	L40 W41 M42 Y127 I136 L172	L40-M129 HydrophobicContact CD1-CB 3.83Å; L40-M129 HydrophobicContact CD1-CE 4.45Å; L40-M129 HydrophobicContact CD1-SD 4.26Å; L40-M129 HydrophobicContact CD2-SD 4.27Å; W41-M129 CarbonylContact O-C 3.59Å; W41-M129 WeakPolarHBondContact O-CA 3.32Å; W41-M129 WeakPolarHBondContact O-CB 3.43Å; M42-M129 HydrophobicContact CE-CG 4.42Å; M42-M129 HydrophobicContact CE-SD 3.57Å; M42-M129 VanDerWaalsContact CE-SD 3.57Å; M42-M129 HydrophobicContact SD-CG 3.54Å; M42-M129 VanDerWaalsContact SD-CG 3.54Å; M42-M129 HydrophobicContact SD-SD 3.44Å; Y127-M129 HydrophobicContact CD2-CG 4.1Å; Y127-M129 HydrophobicContact CD2-SD 4.3Å; Y127-M129 HydrophobicContact CE2-CE 3.93Å; Y127-M129 HydrophobicContact CE2-CG 4.37Å; Y127-M129 HydrophobicContact CE2-SD 4.03Å; M129-I136 HydrophobicContact CB-CB 4.3Å; M129-I136 HydrophobicContact CE-CB 4.3Å; M129-I136 HydrophobicContact CE-CG2 3.79Å; M129-I136 PolarHBondContact N-O 2.86Å; M129-I136 PolarHBondContact O-N 2.96Å; M129-L172 HydrophobicContact CE-CD1 4.37Å; M129-L172 HydrophobicContact CE-CD2 3.7Å
130	Y	89.8	Confident	91	Very high	24 Å²	24	29.5 Å²	29.5	9%	0.094	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.1	174.3	-66.3	-83.3	0	0	0	111	W41 N43 L86 Q128 L134 P135 R318	W41-Y130 PolarHBondContact N-O 3.11Å; W41-Y130 PolarHBondContact O-N 3.1Å; N43-Y130 HydrophobicContact CB-CD2 4Å; N43-Y130 HydrophobicContact CB-CE2 3.8Å; L86-Y130 HydrophobicContact CD2-CD2 3.94Å; L86-Y130 HydrophobicContact CD2-CE2 4.37Å; Q128-Y130 VanDerWaalsContact CD-OH 3.29Å; Q128-Y130 HydrophobicContact CG-CE2 4.31Å; Q128-Y130 PolarHBondContact NE2-OH 3.49Å; Q128-Y130 PolarHBondContact OE1-OH 2.76Å; Y130-L134 WeakPolarHBondContact CA-O 3.36Å; Y130-P135 HydrophobicContact CD1-CB 4.1Å; Y130-P135 HydrophobicContact CE1-CB 3.64Å; Y130-R318 HydrophobicContact CE1-CG 4.47Å
131	I	90.1	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123	163.2	-64.5	-178.5	0	0	0	105.6	V38 L40 D133 L134 I136 I160 I167 V170	V38-I131 HydrophobicContact CG1-CG2 3.61Å; L40-I131 HydrophobicContact CB-CG1 4.22Å; L40-I131 HydrophobicContact CD1-CD1 3.84Å; L40-I131 HydrophobicContact CD1-CG1 3.45Å; L40-I131 VanDerWaalsContact CD1-CG1 3.45Å; L40-I131 HydrophobicContact CG-CG1 4.44Å; I131-D133 VanDerWaalsContact C-N 3.27Å; I131-D133 PolarHBondContact O-N 3.09Å; I131-L134 PolarHBondContact N-O 2.88Å; I131-L134 VanDerWaalsContact O-CB 3.31Å; I131-L134 WeakPolarHBondContact O-CB 3.43Å; I131-L134 PolarHBondContact O-N 2.79Å; I131-I136 HydrophobicContact CB-CD1 4.37Å; I131-I136 HydrophobicContact CD1-CD1 3.97Å; I131-I136 HydrophobicContact CG1-CD1 3.84Å; I131-I160 HydrophobicContact CD1-CD1 4.01Å; I131-I167 HydrophobicContact CG2-CD1 3.99Å; I131-V170 HydrophobicContact CB-CG2 4.2Å; I131-V170 HydrophobicContact CD1-CG1 4.2Å; I131-V170 HydrophobicContact CG2-CG2 4.39Å
132	D	88.3	Confident	90.9	Very high	2 Å²	2	34 Å²	34	1%	0.011	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	46.3	177.1	-165	37.5	0	0	0	112.9	H30 Y32 L134 I167 R204	H30-D132 IonicContact CE1-OD1 2.6Å; H30-D132 IonicContact CG-OD1 3.74Å; H30-D132 IonicContact ND1-OD1 3.58Å; H30-D132 PolarHBondContact ND1-OD1 3.4Å; H30-D132 IonicContact ND1-OD2 2.91Å; Y32-D132 HydrophobicContact CE2-CB 4.47Å; Y32-D132 WeakPolarHBondContact OH-CB 3.34Å; Y32-D132 VanDerWaalsContact OH-CG 3.31Å; Y32-D132 PolarHBondContact OH-OD1 2.94Å; Y32-D132 VanDerWaalsContact OH-OD1 3.11Å; D132-L134 PolarHBondContact O-N 2.87Å; D132-I167 HydrophobicContact CB-CB 4.25Å; D132-I167 HydrophobicContact CB-CD1 4.18Å; D132-R204 PolarHBondContact O-NH1 3.26Å; D132-R204 PolarHBondContact O-NH2 3.14Å; D132-R204 IonicContact OD2-CZ 2.63Å; D132-R204 IonicContact OD2-NH1 3.13Å; D132-R204 PolarHBondContact OD2-NH1 3.05Å
133	D	85.3	Confident	90.8	Very high	29 Å²	29	29.5 Å²	29.5	16%	0.155	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-5	-172	-65.3	-33.8	0	0	0	117.6	H30 I131 P135 R318	H30-D133 IonicContact CE1-OD2 3.66Å; H30-D133 PolarHBondContact CE1-OD2 2.9Å; I131-D133 VanDerWaalsContact C-N 3.27Å; I131-D133 PolarHBondContact O-N 3.09Å; D133-P135 VanDerWaalsContact O-CD 3.31Å; D133-P135 WeakPolarHBondContact O-CD 3.46Å; D133-R318 IonicContact OD1-CZ 3.82Å; D133-R318 IonicContact OD1-NE 3.78Å; D133-R318 IonicContact OD1-NH1 2.88Å; D133-R318 PolarHBondContact OD1-NH1 3.17Å; D133-R318 VanDerWaalsContact OD1-NH1 3.12Å; D133-R318 IonicContact OD1-NH2 3.46Å; D133-R318 PolarHBondContact OD1-NH2 2.88Å; D133-R318 VanDerWaalsContact OD1-NH2 3.13Å
134	L	89.4	Confident	90.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	118.9	176.9	-60.3	172.4	0	0	0	110.3	Y130 I131 D132 I167 V170 R204 F205 Y208	Y130-L134 WeakPolarHBondContact CA-O 3.36Å; I131-L134 PolarHBondContact N-O 2.88Å; I131-L134 VanDerWaalsContact O-CB 3.31Å; I131-L134 WeakPolarHBondContact O-CB 3.43Å; I131-L134 PolarHBondContact O-N 2.79Å; D132-L134 PolarHBondContact O-N 2.87Å; L134-I167 HydrophobicContact CD1-CG2 4Å; L134-V170 HydrophobicContact CB-CG2 4.4Å; L134-V170 HydrophobicContact CD1-CG2 3.96Å; L134-R204 HydrophobicContact CD2-CG 4.01Å; L134-F205 HydrophobicContact CD2-CD2 4.31Å; L134-F205 HydrophobicContact CD2-CE2 3.94Å; L134-F205 HydrophobicContact CD2-CZ 4.12Å; L134-Y208 HydrophobicContact CD2-CE2 3.92Å
135	P	89.9	Confident	90.3	Very high	10 Å²	10	34.5 Å²	34.5	7%	0.065	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	138.5	179.8	28.7	-34	0	0	0	111.4	Y130 D133 W137 Y208	Y130-P135 HydrophobicContact CD1-CB 4.1Å; Y130-P135 HydrophobicContact CE1-CB 3.64Å; D133-P135 VanDerWaalsContact O-CD 3.31Å; D133-P135 WeakPolarHBondContact O-CD 3.46Å; P135-W137 HydrophobicContact CB-CH2 3.48Å; P135-W137 VanDerWaalsContact CB-CH2 3.48Å; P135-W137 HydrophobicContact CB-CZ2 3.52Å; P135-W137 HydrophobicContact CB-CZ3 4.01Å; P135-W137 HydrophobicContact CG-CH2 3.32Å; P135-W137 HydrophobicContact CG-CZ2 3.86Å; P135-W137 HydrophobicContact CG-CZ3 3.89Å; P135-Y208 HydrophobicContact CG-CD1 4.24Å; P135-Y208 HydrophobicContact CG-CD2 4.46Å; P135-Y208 HydrophobicContact CG-CE1 3.98Å; P135-Y208 HydrophobicContact CG-CE2 4.26Å; P135-Y208 HydrophobicContact CG-CG 4.44Å; P135-Y208 VanDerWaalsContact O-CE1 3.28Å; P135-Y208 WeakPolarHBondContact O-CE1 3.4Å; P135-Y208 PolarHBondContact O-OH 3.2Å
136	I	92.2	Very high	89.6	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.1	177	-53	164.3	0	0	0	107.7	L40 Q128 M129 I131 V170 L172	L40-I136 HydrophobicContact CD1-CD1 4.22Å; Q128-I136 CarbonylContact C-O 3.55Å; Q128-I136 WeakPolarHBondContact CA-O 3.39Å; M129-I136 HydrophobicContact CB-CB 4.3Å; M129-I136 HydrophobicContact CE-CB 4.3Å; M129-I136 HydrophobicContact CE-CG2 3.79Å; M129-I136 PolarHBondContact N-O 2.86Å; M129-I136 PolarHBondContact O-N 2.96Å; I131-I136 HydrophobicContact CB-CD1 4.37Å; I131-I136 HydrophobicContact CD1-CD1 3.97Å; I131-I136 HydrophobicContact CG1-CD1 3.84Å; I136-V170 HydrophobicContact CD1-CB 4.16Å; I136-V170 HydrophobicContact CD1-CG1 3.46Å; I136-V170 VanDerWaalsContact CD1-CG1 3.46Å; I136-V170 HydrophobicContact CG1-CB 4.19Å; I136-V170 HydrophobicContact CG1-CG1 3.89Å; I136-L172 HydrophobicContact CG2-CB 3.48Å; I136-L172 VanDerWaalsContact CG2-CB 3.48Å; I136-L172 HydrophobicContact CG2-CD2 3.76Å; I136-L172 HydrophobicContact CG2-CG 4.22Å
137	W	91.1	Very high	88.9	Confident	109 Å²	109	41 Å²	41	41%	0.413	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142	177.4	-60.8	-80.9	0	0	0	111	W126 Y127 P135 Y208	W126-W137 AromaticContact CE3-CD1 3.5Å; W126-W137 AromaticContact CZ3-CD1 3.32Å; W126-W137 AromaticContact CZ3-NE1 3.6Å; Y127-W137 WeakPolarHBondContact O-CA 3.44Å; P135-W137 HydrophobicContact CB-CH2 3.48Å; P135-W137 VanDerWaalsContact CB-CH2 3.48Å; P135-W137 HydrophobicContact CB-CZ2 3.52Å; P135-W137 HydrophobicContact CB-CZ3 4.01Å; P135-W137 HydrophobicContact CG-CH2 3.32Å; P135-W137 HydrophobicContact CG-CZ2 3.86Å; P135-W137 HydrophobicContact CG-CZ3 3.89Å; W137-Y208 AromaticContact CH2-CD1 4Å; W137-Y208 HydrophobicContact CH2-CD1 4Å; W137-Y208 HydrophobicContact CH2-CE1 4.27Å; W137-Y208 AromaticContact CZ3-CD1 3.54Å; W137-Y208 HydrophobicContact CZ3-CD1 3.54Å; W137-Y208 AromaticContact CZ3-CE1 3.6Å; W137-Y208 HydrophobicContact CZ3-CE1 3.6Å
138	G	91.9	Very high	88.4	Confident	10 Å²	10	48.6 Å²	48.6	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	163.4	170.7	0	0	0	0	0	111.7	W126 Y127	W126-G138 CarbonylContact C-O 3.31Å; W126-G138 VanDerWaalsContact CA-O 3.23Å; W126-G138 WeakPolarHBondContact CA-O 3.46Å; Y127-G138 WeakPolarHBondContact CD1-O 3.44Å; Y127-G138 VanDerWaalsContact CE1-C 3.49Å; Y127-G138 PolarHBondContact N-O 3.48Å; Y127-G138 PolarHBondContact O-N 3.28Å
139	I	92.8	Very high	88.3	Confident	84 Å²	84	50.6 Å²	50.6	43%	0.431	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142	173.7	54.8	170.1	0	0	0	109.5	Y127	Y127-I139 WeakPolarHBondContact CE1-O 3.38Å
140	V	93.1	Very high	88.3	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.268	C	S	.	.	S	Bend	trans	-63.5	-45.5	-177.9	170.9	0	0	0	0	111.1	L60 F62 F117 A120 I121 Y125 Y127 L152 W153	L60-V140 HydrophobicContact CD1-CG1 4.49Å; L60-V140 HydrophobicContact CD1-CG2 3.85Å; F62-V140 HydrophobicContact CE2-CG2 4.41Å; F62-V140 HydrophobicContact CZ-CG1 4.06Å; F62-V140 HydrophobicContact CZ-CG2 4.33Å; F117-V140 HydrophobicContact CD1-CG1 4.06Å; A120-V140 HydrophobicContact CB-CG1 4.33Å; I121-V140 HydrophobicContact CG1-CG1 4.46Å; Y125-V140 PolarHBondContact O-N 2.82Å; Y127-V140 HydrophobicContact CD1-CG2 4.1Å; V140-L152 HydrophobicContact CG1-CD1 3.77Å; V140-L152 WeakPolarHBondContact O-CD1 3.34Å; V140-W153 PolarHBondContact O-N 2.81Å
141	G	92.3	Very high	88.4	Confident	11 Å²	11	53.1 Å²	53.1	11%	0.113	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-172.5	-175.2	0	0	0	0	0	111.4	Y151 W153	G141-Y151 CarbonylContact C-O 3.55Å; G141-Y151 WeakPolarHBondContact CA-O 3.48Å; G141-W153 VanDerWaalsContact CA-CD1 3.44Å
142	E	91.5	Very high	88.6	Confident	87 Å²	87	53.1 Å²	53.1	41%	0.407	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.2	-179.9	-163.7	179.5	-178.6	0	0	109.6	Y151 K177	E142-Y151 PolarHBondContact N-O 2.95Å; E142-Y151 WeakPolarHBondContact O-CB 3.32Å; E142-Y151 PolarHBondContact O-N 3.28Å; E142-K177 VanDerWaalsContact OE2-CE 3.28Å; E142-K177 WeakPolarHBondContact OE2-CE 3.4Å; E142-K177 IonicContact OE2-NZ 2.74Å; E142-K177 PolarHBondContact OE2-NZ 2.92Å
143	A	88.8	Confident	88.9	Confident	35 Å²	35	55 Å²	55	29%	0.289	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	152.1	169.9	0	0	0	0	0	109.6	I121 E149	I121-A143 HydrophobicContact CG2-CB 4.18Å; A143-E149 CarbonylContact C-O 3.46Å; A143-E149 WeakPolarHBondContact CA-O 3.13Å
144	D	87.3	Confident	89.3	Confident	69 Å²	69	54.3 Å²	54.3	37%	0.369	28%	0.278	S	S	.	.			trans	-63.7	166.2	173.6	-157.1	5.6	0	0	0	112	N146 G147 E149 Y151	D144-N146 PolarHBondContact O-N 2.83Å; D144-N146 VanDerWaalsContact O-N 3.1Å; D144-G147 WeakPolarHBondContact O-CA 3.39Å; D144-G147 PolarHBondContact O-N 3.02Å; D144-E149 HydrophobicContact CB-CB 4.17Å; D144-E149 PolarHBondContact N-O 3.03Å; D144-Y151 HydrophobicContact CB-CE2 4.13Å
145	E	81	Confident	89.5	Confident	192 Å²	192	55.6 Å²	55.6	90%	0.897	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.4	-178.9	-65.7	-173.2	168.3	0	0	112.8
146	N	79.3	Confident	89.7	Confident	129 Å²	129	55.8 Å²	55.8	69%	0.69	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.9	177.6	-63.7	-20	0	0	0	113.7	D144 E148	D144-N146 PolarHBondContact O-N 2.83Å; D144-N146 VanDerWaalsContact O-N 3.1Å; N146-E148 HydrophobicContact CB-CG 4.46Å; N146-E148 PolarHBondContact O-N 3.24Å
147	G	77.7	Confident	89.9	Confident	39 Å²	39	57.4 Å²	57.4	40%	0.402	29%	0.289	S	S	.	.	S	Bend	trans	73.9	1.6	-179.5	0	0	0	0	0	115.9	D144 H150	D144-G147 WeakPolarHBondContact O-CA 3.39Å; D144-G147 PolarHBondContact O-N 3.02Å; G147-H150 PolarHBondContact O-CE1 3.4Å
148	E	81.7	Confident	90.1	Very high	161 Å²	161	52.3 Å²	52.3	75%	0.752	27%	0.271	S	S	*	.	S	Bend	trans	-84.1	-34.6	-177.2	-62.3	-169.4	159.3	0	0	113.1	N146	N146-E148 HydrophobicContact CB-CG 4.46Å; N146-E148 PolarHBondContact O-N 3.24Å
149	E	88.6	Confident	90.2	Very high	62 Å²	62	53.3 Å²	53.3	29%	0.29	27%	0.273	S	S	.	.			trans	-106.6	139.8	-178.3	-52.2	-163	160.1	0	0	111.4	A143 D144 Y151 K179	A143-E149 CarbonylContact C-O 3.46Å; A143-E149 WeakPolarHBondContact CA-O 3.13Å; D144-E149 HydrophobicContact CB-CB 4.17Å; D144-E149 PolarHBondContact N-O 3.03Å; E149-Y151 HydrophobicContact CB-CE2 3.87Å; E149-Y151 PolarHBondContact OE2-OH 3.1Å; E149-K179 VanDerWaalsContact CD-CE 3.49Å; E149-K179 IonicContact OE1-NZ 2.64Å; E149-K179 PolarHBondContact OE1-NZ 3.17Å; E149-K179 WeakPolarHBondContact OE2-CE 3.21Å; E149-K179 IonicContact OE2-NZ 3.66Å; E149-K179 PolarHBondContact OE2-NZ 2.91Å
150	H	92.3	Very high	90.4	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.102	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130	-176.7	-56.4	-54.8	0	0	0	110.5	V118 I121 K122 G147 L180	V118-H150 VanDerWaalsContact CG1-CD2 3.46Å; V118-H150 WeakPolarHBondContact CG1-CD2 3.31Å; V118-H150 HydrophobicContact CG2-CB 4.32Å; I121-H150 HydrophobicContact CD1-CB 4.06Å; I121-H150 HydrophobicContact CG2-CB 4.39Å; K122-H150 WeakPolarHBondContact CE-NE2 3.18Å; G147-H150 PolarHBondContact O-CE1 3.4Å; H150-L180 HydrophobicContact CB-CD1 4.14Å; H150-L180 PolarHBondContact O-N 3.23Å
151	Y	92.9	Very high	90.5	Very high	55 Å²	55	49.5 Å²	49.5	22%	0.216	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.2	-176.2	-63.6	-91.3	0	0	0	110.8	I121 G141 E142 D144 E149 K177 V178 K179	I121-Y151 WeakPolarHBondContact CD1-O 3.5Å; G141-Y151 CarbonylContact C-O 3.55Å; G141-Y151 WeakPolarHBondContact CA-O 3.48Å; E142-Y151 PolarHBondContact N-O 2.95Å; E142-Y151 WeakPolarHBondContact O-CB 3.32Å; E142-Y151 PolarHBondContact O-N 3.28Å; D144-Y151 HydrophobicContact CB-CE2 4.13Å; E149-Y151 HydrophobicContact CB-CE2 3.87Å; E149-Y151 PolarHBondContact OE2-OH 3.1Å; Y151-K177 HydrophobicContact CD1-CB 4.24Å; Y151-V178 WeakPolarHBondContact CA-O 3.44Å; Y151-K179 HydrophobicContact CD1-CB 4.03Å; Y151-K179 HydrophobicContact CE1-CB 3.77Å; Y151-K179 HydrophobicContact CE1-CG 4.3Å
152	L	93.6	Very high	90.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140	175.6	-171.8	68.8	0	0	0	110.1	F62 F117 V140 K177 V178 L180 I186 M188	F62-L152 HydrophobicContact CE1-CD1 4.49Å; F117-L152 HydrophobicContact CD1-CD1 3.78Å; F117-L152 HydrophobicContact CD2-CD2 4.28Å; F117-L152 HydrophobicContact CE1-CD1 3.94Å; F117-L152 HydrophobicContact CE1-CD2 4.32Å; F117-L152 HydrophobicContact CE2-CD2 4.02Å; F117-L152 HydrophobicContact CG-CD1 4.25Å; F117-L152 HydrophobicContact CZ-CD1 4.49Å; F117-L152 HydrophobicContact CZ-CD2 4.06Å; V140-L152 HydrophobicContact CG1-CD1 3.77Å; V140-L152 WeakPolarHBondContact O-CD1 3.34Å; L152-K177 WeakPolarHBondContact O-CA 3.28Å; L152-V178 PolarHBondContact N-O 3.11Å; L152-V178 PolarHBondContact O-N 2.64Å; L152-L180 HydrophobicContact CB-CD2 3.96Å; L152-L180 HydrophobicContact CB-CG 4.34Å; L152-L180 HydrophobicContact CD2-CD2 4.25Å; L152-I186 HydrophobicContact CD2-CD1 4.27Å; L152-M188 HydrophobicContact CD2-CE 3.36Å; L152-M188 HydrophobicContact CG-CE 4.14Å
153	W	94.2	Very high	90.7	Very high	40 Å²	40	50 Å²	50	15%	0.152	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.3	170.9	-63.2	114.8	0	0	0	110.2	V140 G141 K177	V140-W153 PolarHBondContact O-N 2.81Å; G141-W153 VanDerWaalsContact CA-CD1 3.44Å; W153-K177 HydrophobicContact CD2-CG 4.3Å; W153-K177 HydrophobicContact CE3-CG 3.62Å; W153-K177 HydrophobicContact CH2-CD 3.87Å; W153-K177 HydrophobicContact CH2-CG 3.56Å; W153-K177 HydrophobicContact CZ2-CD 4.33Å; W153-K177 HydrophobicContact CZ2-CG 4.15Å; W153-K177 HydrophobicContact CZ3-CB 4.45Å; W153-K177 HydrophobicContact CZ3-CD 4.06Å; W153-K177 HydrophobicContact CZ3-CG 3.23Å
154	T	93.3	Very high	90.9	Very high	15 Å²	15	50.2 Å²	50.2	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-13.4	-170.3	60.9	0	0	0	0	114.4	E175 G176 V178 I186 M188 S189	T154-E175 PolarHBondContact N-O 2.77Å; T154-G176 PolarHBondContact N-O 3.04Å; T154-G176 PolarHBondContact OG1-O 2.86Å; T154-V178 HydrophobicContact CG2-CB 3.86Å; T154-V178 HydrophobicContact CG2-CG2 3.6Å; T154-I186 HydrophobicContact CG2-CG2 3.36Å; T154-M188 HydrophobicContact CG2-CE 4.13Å; T154-M188 HydrophobicContact CG2-SD 4.24Å; T154-S189 PolarHBondContact O-N 2.81Å
155	Y	94.6	Very high	91.1	Very high	29 Å²	29	51 Å²	51	11%	0.114	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123	179.8	176.1	-135	0	0	0	110.9	Q101 K157 S174 E175 S189 S191	Q101-Y155 HydrophobicContact CB-CE2 4.19Å; Q101-Y155 HydrophobicContact CG-CD2 4.14Å; Q101-Y155 HydrophobicContact CG-CE2 3.7Å; Y155-K157 HydrophobicContact CE1-CB 4.31Å; Y155-S174 WeakPolarHBondContact O-CA 3.46Å; Y155-E175 WeakPolarHBondContact CB-O 3.35Å; Y155-E175 HydrophobicContact CD1-CB 3.61Å; Y155-E175 HydrophobicContact CE1-CB 4.41Å; Y155-E175 HydrophobicContact CG-CB 4.41Å; Y155-E175 PolarHBondContact N-O 3.2Å; Y155-E175 PolarHBondContact O-N 3.31Å; Y155-S189 WeakPolarHBondContact CA-O 3.38Å; Y155-S191 WeakPolarHBondContact OH-CB 3.2Å; Y155-S191 PolarHBondContact OH-OG 3.13Å
156	K	94.1	Very high	91.7	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.057	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.1	175.9	-62.5	-177.5	-166.5	-67.8	0	109.9	Y127 L172 S189 Y190 S191	Y127-K156 PolarHBondContact OH-NZ 2.9Å; K156-L172 HydrophobicContact CB-CD1 3.94Å; K156-L172 HydrophobicContact CG-CD1 4.35Å; K156-S189 PolarHBondContact N-O 2.72Å; K156-Y190 CarbonylContact O-C 3.54Å; K156-Y190 WeakPolarHBondContact O-CA 3.24Å; K156-S191 PolarHBondContact O-N 2.86Å
157	K	95	Very high	92.3	Very high	40 Å²	40	40.4 Å²	40.4	17%	0.174	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.1	174	179.7	-177.9	173.1	-147.5	0	109.1	Y155 E159 T173	Y155-K157 HydrophobicContact CE1-CB 4.31Å; K157-E159 WeakPolarHBondContact CE-OE1 3.48Å; K157-E159 HydrophobicContact CG-CG 4.5Å; K157-E159 IonicContact NZ-OE1 2.92Å; K157-E159 PolarHBondContact NZ-OE1 3.31Å; K157-T173 PolarHBondContact N-O 3.42Å; K157-T173 PolarHBondContact O-N 2.86Å
158	L	95.5	Very high	93.1	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.2	177.1	-66.7	167.8	0	0	0	109	L40 I93 V170 N171 L172 S191 V192 K193	L40-L158 HydrophobicContact CD2-CD1 4.18Å; I93-L158 HydrophobicContact CD1-CD1 4.08Å; L158-V170 HydrophobicContact CD2-CG1 4.46Å; L158-N171 WeakPolarHBondContact CA-O 3.39Å; L158-L172 HydrophobicContact CD2-CB 4.38Å; L158-L172 HydrophobicContact CD2-CD1 3.76Å; L158-L172 HydrophobicContact CG-CD1 4.42Å; L158-S191 PolarHBondContact N-O 3.45Å; L158-V192 HydrophobicContact CB-CG2 4.43Å; L158-V192 HydrophobicContact CD1-CG2 4.4Å; L158-V192 CarbonylContact O-C 3.57Å; L158-V192 WeakPolarHBondContact O-CA 3.36Å; L158-K193 PolarHBondContact O-N 3.41Å
159	E	95.3	Very high	93.6	Very high	31 Å²	31	32.7 Å²	32.7	15%	0.145	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.2	170	-58.4	-167.6	161.2	0	0	108.5	K157 N171 K193 K195	K157-E159 WeakPolarHBondContact CE-OE1 3.48Å; K157-E159 HydrophobicContact CG-CG 4.5Å; K157-E159 IonicContact NZ-OE1 2.92Å; K157-E159 PolarHBondContact NZ-OE1 3.31Å; E159-N171 HydrophobicContact CB-CB 4.26Å; E159-N171 PolarHBondContact N-O 2.84Å; E159-N171 PolarHBondContact O-N 3.37Å; E159-K193 CarbonylContact C-O 3.06Å; E159-K193 WeakPolarHBondContact CA-O 3.26Å; E159-K193 HydrophobicContact CG-CB 4.45Å; E159-K195 VanDerWaalsContact CD-NZ 3.33Å; E159-K195 IonicContact OE1-NZ 3.86Å; E159-K195 PolarHBondContact OE1-NZ 2.82Å; E159-K195 IonicContact OE2-NZ 3.13Å; E159-K195 PolarHBondContact OE2-NZ 3.06Å
160	I	95.8	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.2	-175.3	-52.7	174.7	0	0	0	109	I93 I131 I167 D169 V170 V192 K193 W194 K195	I93-I160 HydrophobicContact CG2-CD1 4.33Å; I131-I160 HydrophobicContact CD1-CD1 4.01Å; I160-I167 HydrophobicContact CG2-CD1 4.45Å; I160-I167 HydrophobicContact CG2-CG1 4.38Å; I160-I167 HydrophobicContact CG2-CG2 3.67Å; I160-D169 CarbonylContact C-O 3.57Å; I160-V170 HydrophobicContact CG1-CG1 4.39Å; I160-V170 HydrophobicContact CG2-CG2 4.3Å; I160-V192 HydrophobicContact CD1-CG1 3.79Å; I160-V192 HydrophobicContact CG1-CG1 4.36Å; I160-K193 PolarHBondContact N-O 3.02Å; I160-W194 HydrophobicContact CB-CD2 4.18Å; I160-W194 HydrophobicContact CB-CE3 3.78Å; I160-W194 HydrophobicContact CB-CH2 4.1Å; I160-W194 HydrophobicContact CB-CZ2 4.47Å; I160-W194 HydrophobicContact CB-CZ3 3.76Å; I160-W194 HydrophobicContact CD1-CH2 3.91Å; I160-W194 HydrophobicContact CD1-CZ2 3.82Å; I160-W194 HydrophobicContact CD1-CZ3 4.46Å; I160-W194 HydrophobicContact CG2-CE3 3.72Å; I160-W194 HydrophobicContact CG2-CH2 3.62Å; I160-W194 HydrophobicContact CG2-CZ2 4.45Å; I160-W194 HydrophobicContact CG2-CZ3 3.21Å; I160-W194 CarbonylContact O-C 3.46Å; I160-W194 WeakPolarHBondContact O-CA 3.31Å; I160-K195 PolarHBondContact O-N 3.05Å
161	G	95	Very high	93.9	Very high	5 Å²	5	31.8 Å²	31.8	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.9	174.4	0	0	0	0	0	111.1	V168 D169 K195	G161-V168 PolarHBondContact O-N 3.33Å; G161-D169 PolarHBondContact N-O 2.92Å; G161-D169 PolarHBondContact O-N 3.26Å; G161-K195 CarbonylContact C-O 3.55Å; G161-K195 VanDerWaalsContact CA-O 3.25Å; G161-K195 WeakPolarHBondContact CA-O 3.2Å
162	Y	95.1	Very high	94	Very high	51 Å²	51	30.9 Å²	30.9	20%	0.2	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.6	175.3	72.6	-84.9	0	0	0	112	K96 R166 W194 K195 K196 S197	K96-Y162 HydrophobicContact CD-CD2 4.48Å; K96-Y162 HydrophobicContact CD-CE2 4.13Å; K96-Y162 HydrophobicContact CG-CD2 4.44Å; K96-Y162 HydrophobicContact CG-CE1 4.43Å; K96-Y162 HydrophobicContact CG-CE2 4.32Å; Y162-R166 VanDerWaalsContact CA-O 3.27Å; Y162-R166 WeakPolarHBondContact CA-O 2.91Å; Y162-R166 WeakPolarHBondContact CB-O 3.28Å; Y162-W194 HydrophobicContact CD1-CB 4.2Å; Y162-W194 AromaticContact CD1-CE3 3.94Å; Y162-W194 HydrophobicContact CD1-CE3 3.94Å; Y162-W194 HydrophobicContact CE1-CB 4.07Å; Y162-W194 HydrophobicContact CG-CE3 4.44Å; Y162-K195 VanDerWaalsContact CD1-O 3.27Å; Y162-K195 WeakPolarHBondContact CD1-O 3.49Å; Y162-K195 PolarHBondContact N-O 3.47Å; Y162-K196 HydrophobicContact CE1-CB 4.28Å; Y162-K196 HydrophobicContact CE2-CB 4.44Å; Y162-K196 HydrophobicContact CE2-CG 4.4Å; Y162-S197 PolarHBondContact O-N 3.01Å
163	N	94.8	Very high	94	Very high	59 Å²	59	33.3 Å²	33.3	32%	0.316	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	111	170.3	-171.4	-4.1	0	0	0	109	N165 R166 V168 S197 V199	N163-N165 PolarHBondContact O-N 3.15Å; N163-N165 VanDerWaalsContact O-N 3.15Å; N163-R166 PolarHBondContact N-O 3Å; N163-R166 PolarHBondContact O-N 3.38Å; N163-R166 VanDerWaalsContact O-N 3.16Å; N163-V168 HydrophobicContact CB-CG1 3.89Å; N163-V168 HydrophobicContact CB-CG2 4.24Å; N163-S197 WeakPolarHBondContact CB-O 3.49Å; N163-V199 WeakPolarHBondContact CB-O 3.4Å; N163-V199 PolarHBondContact ND2-O 3.28Å
164	G	91.8	Very high	93.8	Very high	39 Å²	39	32.7 Å²	32.7	40%	0.402	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-112.6	-172	0	0	0	0	0	112	K96	K96-G164 WeakPolarHBondContact CE-O 3.4Å; K96-G164 PolarHBondContact NZ-O 2.86Å
165	N	92.3	Very high	93.7	Very high	86 Å²	86	35.8 Å²	35.8	46%	0.46	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	17.5	-179	-70.1	3.6	0	0	0	112.3	T31 Y32 N163	T31-N165 CarbonylContact C-O 3.49Å; T31-N165 WeakPolarHBondContact CA-O 3.23Å; Y32-N165 PolarHBondContact N-O 3.48Å; Y32-N165 VanDerWaalsContact O-CB 3.32Å; Y32-N165 WeakPolarHBondContact O-CB 3.19Å; N163-N165 PolarHBondContact O-N 3.15Å; N163-N165 VanDerWaalsContact O-N 3.15Å
166	R	92.8	Very high	93.3	Very high	97 Å²	97	36.1 Å²	36.1	37%	0.366	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.1	-177.5	-54.9	-160.5	173	165.8	-5.9	112.1	H30 T31 Y162 N163 F201	H30-R166 WeakPolarHBondContact O-CD 3.46Å; H30-R166 WeakPolarHBondContact O-CG 3.32Å; T31-R166 HydrophobicContact CG2-CG 4.02Å; Y162-R166 VanDerWaalsContact CA-O 3.27Å; Y162-R166 WeakPolarHBondContact CA-O 2.91Å; Y162-R166 WeakPolarHBondContact CB-O 3.28Å; N163-R166 PolarHBondContact N-O 3Å; N163-R166 PolarHBondContact O-N 3.38Å; N163-R166 VanDerWaalsContact O-N 3.16Å; R166-F201 HydrophobicContact CB-CD2 3.79Å; R166-F201 HydrophobicContact CB-CE2 4.31Å; R166-F201 HydrophobicContact CG-CD2 4.21Å
167	I	92.8	Very high	93.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.2	172	-59.1	176.2	0	0	0	108.3	Y32 V38 F95 I131 D132 L134 I160 V170 W194	Y32-I167 HydrophobicContact CD2-CD1 4.12Å; Y32-I167 HydrophobicContact CD2-CG1 3.99Å; Y32-I167 HydrophobicContact CE2-CB 4.44Å; Y32-I167 HydrophobicContact CE2-CD1 3.6Å; Y32-I167 HydrophobicContact CE2-CG1 3.75Å; V38-I167 HydrophobicContact CG1-CD1 3.75Å; V38-I167 HydrophobicContact CG2-CD1 4.18Å; F95-I167 HydrophobicContact CD2-CG1 4.3Å; F95-I167 HydrophobicContact CE2-CG1 4.02Å; I131-I167 HydrophobicContact CG2-CD1 3.99Å; D132-I167 HydrophobicContact CB-CB 4.25Å; D132-I167 HydrophobicContact CB-CD1 4.18Å; L134-I167 HydrophobicContact CD1-CG2 4Å; I160-I167 HydrophobicContact CG2-CD1 4.45Å; I160-I167 HydrophobicContact CG2-CG1 4.38Å; I160-I167 HydrophobicContact CG2-CG2 3.67Å; I167-V170 HydrophobicContact CG2-CG2 4.22Å; I167-W194 HydrophobicContact CD1-CH2 4.03Å; I167-W194 HydrophobicContact CD1-CZ3 4.37Å; I167-W194 HydrophobicContact CG1-CH2 4.29Å; I167-W194 HydrophobicContact CG1-CZ3 4.14Å
168	V	93.3	Very high	93	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-15.1	-173.8	-61.2	0	0	0	0	113.9	G161 N163 V199 R204	G161-V168 PolarHBondContact O-N 3.33Å; N163-V168 HydrophobicContact CB-CG1 3.89Å; N163-V168 HydrophobicContact CB-CG2 4.24Å; V168-V199 HydrophobicContact CB-CG1 4.48Å; V168-V199 HydrophobicContact CG2-CB 4.34Å; V168-R204 HydrophobicContact CB-CB 4.39Å; V168-R204 WeakPolarHBondContact O-CB 3.36Å
169	D	93.1	Very high	92.8	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.193	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	148.6	175.9	-173.9	29.4	0	0	0	110.6	I160 G161 N171 K207	I160-D169 CarbonylContact C-O 3.57Å; G161-D169 PolarHBondContact N-O 2.92Å; G161-D169 PolarHBondContact O-N 3.26Å; D169-N171 PolarHBondContact OD2-ND2 3.02Å; D169-K207 WeakPolarHBondContact OD1-CD 3.4Å; D169-K207 WeakPolarHBondContact OD1-CE 3.45Å; D169-K207 IonicContact OD1-NZ 3.95Å; D169-K207 PolarHBondContact OD1-NZ 3.08Å; D169-K207 IonicContact OD2-NZ 3.16Å
170	V	93.3	Very high	92.6	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.3	168.2	-171.7	0	0	0	0	109.9	I131 L134 I136 L158 I160 I167 K207	I131-V170 HydrophobicContact CB-CG2 4.2Å; I131-V170 HydrophobicContact CD1-CG1 4.2Å; I131-V170 HydrophobicContact CG2-CG2 4.39Å; L134-V170 HydrophobicContact CB-CG2 4.4Å; L134-V170 HydrophobicContact CD1-CG2 3.96Å; I136-V170 HydrophobicContact CD1-CB 4.16Å; I136-V170 HydrophobicContact CD1-CG1 3.46Å; I136-V170 VanDerWaalsContact CD1-CG1 3.46Å; I136-V170 HydrophobicContact CG1-CB 4.19Å; I136-V170 HydrophobicContact CG1-CG1 3.89Å; L158-V170 HydrophobicContact CD2-CG1 4.46Å; I160-V170 HydrophobicContact CG1-CG1 4.39Å; I160-V170 HydrophobicContact CG2-CG2 4.3Å; I167-V170 HydrophobicContact CG2-CG2 4.22Å; V170-K207 PolarHBondContact O-NZ 3.09Å
171	N	93.9	Very high	92.1	Very high	61 Å²	61	48.6 Å²	48.6	33%	0.326	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.6	171.9	-76.6	-56	0	0	0	110.2	L158 E159 D169 K207	L158-N171 WeakPolarHBondContact CA-O 3.39Å; E159-N171 HydrophobicContact CB-CB 4.26Å; E159-N171 PolarHBondContact N-O 2.84Å; E159-N171 PolarHBondContact O-N 3.37Å; D169-N171 PolarHBondContact OD2-ND2 3.02Å; N171-K207 VanDerWaalsContact CG-NZ 3.33Å; N171-K207 WeakPolarHBondContact OD1-CE 3.11Å; N171-K207 PolarHBondContact OD1-NZ 3.14Å
172	L	93.9	Very high	91.5	Very high	35 Å²	35	52.1 Å²	52.1	18%	0.183	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.8	171.9	174.6	68.6	0	0	0	109.5	Y127 M129 I136 K156 L158	Y127-L172 HydrophobicContact CE2-CD2 4Å; M129-L172 HydrophobicContact CE-CD1 4.37Å; M129-L172 HydrophobicContact CE-CD2 3.7Å; I136-L172 HydrophobicContact CG2-CB 3.48Å; I136-L172 VanDerWaalsContact CG2-CB 3.48Å; I136-L172 HydrophobicContact CG2-CD2 3.76Å; I136-L172 HydrophobicContact CG2-CG 4.22Å; K156-L172 HydrophobicContact CB-CD1 3.94Å; K156-L172 HydrophobicContact CG-CD1 4.35Å; L158-L172 HydrophobicContact CD2-CB 4.38Å; L158-L172 HydrophobicContact CD2-CD1 3.76Å; L158-L172 HydrophobicContact CG-CD1 4.42Å
173	T	93.8	Very high	91	Very high	52 Å²	52	56.3 Å²	56.3	32%	0.319	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.4	165.7	-45.1	0	0	0	0	108.4	K157 E175	K157-T173 PolarHBondContact N-O 3.42Å; K157-T173 PolarHBondContact O-N 2.86Å; T173-E175 HydrophobicContact CG2-CG 4.1Å
174	S	91.2	Very high	90.7	Very high	27 Å²	27	55.4 Å²	55.4	19%	0.189	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.6	175.1	-62.9	0	0	0	0	109.2	Y127 Y155	Y127-S174 PolarHBondContact OH-OG 3.03Å; Y155-S174 WeakPolarHBondContact O-CA 3.46Å
175	E	90.6	Very high	90.7	Very high	81 Å²	81	61.9 Å²	61.9	38%	0.379	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	177.8	-174.7	-77.4	177.7	-159.1	0	0	110.4	T154 Y155 T173	T154-E175 PolarHBondContact N-O 2.77Å; Y155-E175 WeakPolarHBondContact CB-O 3.35Å; Y155-E175 HydrophobicContact CD1-CB 3.61Å; Y155-E175 HydrophobicContact CE1-CB 4.41Å; Y155-E175 HydrophobicContact CG-CB 4.41Å; Y155-E175 PolarHBondContact N-O 3.2Å; Y155-E175 PolarHBondContact O-N 3.31Å; T173-E175 HydrophobicContact CG2-CG 4.1Å
176	G	87.3	Confident	90.7	Very high	36 Å²	36	58 Å²	58	37%	0.371	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.6	70.2	177.5	0	0	0	0	0	112.9	T154 V178	T154-G176 PolarHBondContact N-O 3.04Å; T154-G176 PolarHBondContact OG1-O 2.86Å; G176-V178 PolarHBondContact O-N 3.35Å
177	K	90.2	Very high	90.7	Very high	108 Å²	108	55.6 Å²	55.6	47%	0.47	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	121.1	173.7	-65.9	-171.5	177.3	-173	0	110	E142 Y151 L152 W153	E142-K177 VanDerWaalsContact OE2-CE 3.28Å; E142-K177 WeakPolarHBondContact OE2-CE 3.4Å; E142-K177 IonicContact OE2-NZ 2.74Å; E142-K177 PolarHBondContact OE2-NZ 2.92Å; Y151-K177 HydrophobicContact CD1-CB 4.24Å; L152-K177 WeakPolarHBondContact O-CA 3.28Å; W153-K177 HydrophobicContact CD2-CG 4.3Å; W153-K177 HydrophobicContact CE3-CG 3.62Å; W153-K177 HydrophobicContact CH2-CD 3.87Å; W153-K177 HydrophobicContact CH2-CG 3.56Å; W153-K177 HydrophobicContact CZ2-CD 4.33Å; W153-K177 HydrophobicContact CZ2-CG 4.15Å; W153-K177 HydrophobicContact CZ3-CB 4.45Å; W153-K177 HydrophobicContact CZ3-CD 4.06Å; W153-K177 HydrophobicContact CZ3-CG 3.23Å
178	V	92.1	Very high	90.8	Very high	52 Å²	52	55.7 Å²	55.7	32%	0.315	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.8	173.4	-179.7	0	0	0	0	109.4	Y151 L152 T154 G176 I186	Y151-V178 WeakPolarHBondContact CA-O 3.44Å; L152-V178 PolarHBondContact N-O 3.11Å; L152-V178 PolarHBondContact O-N 2.64Å; T154-V178 HydrophobicContact CG2-CB 3.86Å; T154-V178 HydrophobicContact CG2-CG2 3.6Å; G176-V178 PolarHBondContact O-N 3.35Å; V178-I186 HydrophobicContact CB-CD1 4.32Å; V178-I186 HydrophobicContact CG1-CD1 3.82Å; V178-I186 HydrophobicContact CG1-CG1 4.03Å
179	K	91.3	Very high	90.8	Very high	77 Å²	77	56.1 Å²	56.1	34%	0.335	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.1	178.4	-175	173.8	178.8	167.8	0	110.5	E149 Y151 M181	E149-K179 VanDerWaalsContact CD-CE 3.49Å; E149-K179 IonicContact OE1-NZ 2.64Å; E149-K179 PolarHBondContact OE1-NZ 3.17Å; E149-K179 WeakPolarHBondContact OE2-CE 3.21Å; E149-K179 IonicContact OE2-NZ 3.66Å; E149-K179 PolarHBondContact OE2-NZ 2.91Å; Y151-K179 HydrophobicContact CD1-CB 4.03Å; Y151-K179 HydrophobicContact CE1-CB 3.77Å; Y151-K179 HydrophobicContact CE1-CG 4.3Å; K179-M181 HydrophobicContact CD-CG 4.42Å; K179-M181 HydrophobicContact CG-CG 4.23Å; K179-M181 PolarHBondContact O-N 2.97Å; K179-M181 VanDerWaalsContact O-N 3.1Å
180	L	90.3	Very high	90.9	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.068	30%	0.295	C	S	.	.			trans	-77	95.6	178.6	-68.8	175.8	0	0	0	111	L109 Q114 F117 V118 I121 H150 L152 I186	L109-L180 HydrophobicContact CD1-CD2 4.23Å; L109-L180 HydrophobicContact CD2-CD2 3.96Å; Q114-L180 HydrophobicContact CG-CB 4.41Å; Q114-L180 PolarHBondContact NE2-O 2.94Å; F117-L180 HydrophobicContact CB-CD1 3.7Å; F117-L180 HydrophobicContact CB-CD2 4.4Å; F117-L180 HydrophobicContact CD2-CD2 4.43Å; V118-L180 HydrophobicContact CG2-CD1 3.96Å; I121-L180 HydrophobicContact CD1-CD1 3.59Å; H150-L180 HydrophobicContact CB-CD1 4.14Å; H150-L180 PolarHBondContact O-N 3.23Å; L152-L180 HydrophobicContact CB-CD2 3.96Å; L152-L180 HydrophobicContact CB-CG 4.34Å; L152-L180 HydrophobicContact CD2-CD2 4.25Å; L180-I186 HydrophobicContact CD2-CD1 4.03Å
181	M	86.3	Confident	91	Very high	98 Å²	98	55.1 Å²	55.1	48%	0.483	30%	0.295	S	S	.	.			trans	-108	144	173.3	-66.2	-171.7	-67	0	0	111.1	K179 T184	K179-M181 HydrophobicContact CD-CG 4.42Å; K179-M181 HydrophobicContact CG-CG 4.23Å; K179-M181 PolarHBondContact O-N 2.97Å; K179-M181 VanDerWaalsContact O-N 3.1Å; M181-T184 HydrophobicContact CB-CG2 3.66Å; M181-T184 HydrophobicContact CE-CG2 4.27Å; M181-T184 PolarHBondContact O-OG1 2.95Å
182	P	81.8	Confident	91.1	Very high	79 Å²	79	52.2 Å²	52.2	51%	0.513	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	144.9	179.6	26.7	-32.9	0	0	0	111.1	T184	P182-T184 PolarHBondContact O-N 3.07Å
183	N	85.4	Confident	91.2	Very high	140 Å²	140	54.7 Å²	54.7	75%	0.749	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	31.9	178.8	-55.8	-31	0	0	0	114.1	L109	L109-N183 WeakPolarHBondContact O-CA 3.24Å; L109-N183 PolarHBondContact O-N 2.79Å
184	T	88.5	Confident	91.3	Very high	40 Å²	40	53 Å²	53	25%	0.245	28%	0.276	C	S	.	.			trans	-101.9	153.2	172.9	58.6	0	0	0	0	111.4	L109 M181 P182	L109-T184 WeakPolarHBondContact CB-O 3.23Å; L109-T184 PolarHBondContact N-O 3.13Å; M181-T184 HydrophobicContact CB-CG2 3.66Å; M181-T184 HydrophobicContact CE-CG2 4.27Å; M181-T184 PolarHBondContact O-OG1 2.95Å; P182-T184 PolarHBondContact O-N 3.07Å
185	R	91.1	Very high	91.5	Very high	174 Å²	174	56.9 Å²	56.9	66%	0.657	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.9	174.4	-170	167.6	-163.5	-158.8	-3	109	I107 D108	I107-R185 WeakPolarHBondContact O-CA 3.46Å; D108-R185 VanDerWaalsContact OD1-CD 3.24Å; D108-R185 WeakPolarHBondContact OD1-CD 3.4Å; D108-R185 VanDerWaalsContact OD1-CG 3.24Å; D108-R185 WeakPolarHBondContact OD1-CG 3.32Å; D108-R185 IonicContact OD1-NE 3.41Å; D108-R185 PolarHBondContact OD1-NE 3.39Å
186	I	91.9	Very high	91.8	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.5	179.5	-65.8	-170.7	0	0	0	109.6	S106 I107 L109 L152 T154 V178 L180 M188	S106-I186 CarbonylContact C-O 3.51Å; S106-I186 VanDerWaalsContact CA-O 3.32Å; S106-I186 WeakPolarHBondContact CA-O 2.89Å; I107-I186 PolarHBondContact N-O 2.87Å; I107-I186 PolarHBondContact O-N 3.06Å; L109-I186 HydrophobicContact CD1-CB 4.11Å; L109-I186 HydrophobicContact CD1-CD1 3.16Å; L109-I186 HydrophobicContact CD1-CG1 3.4Å; L152-I186 HydrophobicContact CD2-CD1 4.27Å; T154-I186 HydrophobicContact CG2-CG2 3.36Å; V178-I186 HydrophobicContact CB-CD1 4.32Å; V178-I186 HydrophobicContact CG1-CD1 3.82Å; V178-I186 HydrophobicContact CG1-CG1 4.03Å; L180-I186 HydrophobicContact CD2-CD1 4.03Å; I186-M188 HydrophobicContact CG2-CE 3.93Å
187	A	93.3	Very high	92.1	Very high	46 Å²	46	60 Å²	60	38%	0.38	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.1	173.9	0	0	0	0	0	110.4	T103	T103-A187 HydrophobicContact CG2-CB 3.82Å
188	M	93.9	Very high	92.2	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.6	174.9	-68.4	-66.7	173.1	0	0	109.8	T103 Y104 C105 I107 L152 T154 I186	T103-M188 CarbonylContact C-O 3.5Å; T103-M188 WeakPolarHBondContact CA-O 3.25Å; T103-M188 WeakPolarHBondContact CG2-O 3.4Å; Y104-M188 HydrophobicContact CD1-CB 4.21Å; Y104-M188 WeakPolarHBondContact CD1-O 3.36Å; Y104-M188 HydrophobicContact CE1-CB 3.52Å; Y104-M188 HydrophobicContact CE2-CB 4.15Å; Y104-M188 VanDerWaalsContact CZ-CB 3.49Å; Y104-M188 PolarHBondContact N-O 2.96Å; C105-M188 PolarHBondContact O-N 3.36Å; I107-M188 HydrophobicContact CD1-CE 3.57Å; I107-M188 HydrophobicContact CD1-CG 3.73Å; I107-M188 HydrophobicContact CD1-SD 4.47Å; I107-M188 HydrophobicContact CG1-CG 4.33Å; L152-M188 HydrophobicContact CD2-CE 3.36Å; L152-M188 HydrophobicContact CG-CE 4.14Å; T154-M188 HydrophobicContact CG2-CE 4.13Å; T154-M188 HydrophobicContact CG2-SD 4.24Å; I186-M188 HydrophobicContact CG2-CE 3.93Å
189	S	94.4	Very high	92.2	Very high	12 Å²	12	62.2 Å²	62.2	8%	0.084	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.4	-175.3	-55.5	0	0	0	0	111.9	N102 T103 T154 Y155 K156	N102-S189 CarbonylContact O-C 3.59Å; N102-S189 VanDerWaalsContact O-CA 3.22Å; N102-S189 WeakPolarHBondContact O-CA 3.5Å; N102-S189 WeakPolarHBondContact O-CB 3.24Å; T103-S189 PolarHBondContact OG1-OG 2.96Å; T154-S189 PolarHBondContact O-N 2.81Å; Y155-S189 WeakPolarHBondContact CA-O 3.38Å; K156-S189 PolarHBondContact N-O 2.72Å
190	Y	94.9	Very high	92.2	Very high	16 Å²	16	64.8 Å²	64.8	6%	0.063	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.1	174.4	80.8	-67.4	0	0	0	111.5	L91 D92 I93 V99 Q101 N102 Y104 K156 V192	L91-Y190 HydrophobicContact CB-CE2 4.14Å; L91-Y190 HydrophobicContact CD1-CD2 3.86Å; L91-Y190 HydrophobicContact CD1-CE2 4.2Å; L91-Y190 HydrophobicContact CD1-CG 4.01Å; L91-Y190 HydrophobicContact CD2-CD1 3.94Å; L91-Y190 HydrophobicContact CD2-CE1 3.87Å; L91-Y190 HydrophobicContact CD2-CE2 4.5Å; L91-Y190 HydrophobicContact CD2-CG 4.27Å; D92-Y190 PolarHBondContact O-OH 2.99Å; D92-Y190 VanDerWaalsContact O-OH 3.11Å; I93-Y190 HydrophobicContact CG1-CE2 4.38Å; V99-Y190 HydrophobicContact CB-CE2 4.48Å; V99-Y190 HydrophobicContact CG1-CE2 4.02Å; Q101-Y190 WeakPolarHBondContact CA-O 3.17Å; N102-Y190 PolarHBondContact N-O 3.19Å; N102-Y190 PolarHBondContact O-N 3.32Å; Y104-Y190 AromaticContact CD1-CD1 3.72Å; Y104-Y190 HydrophobicContact CD1-CD1 3.72Å; Y104-Y190 HydrophobicContact CD1-CG 4.39Å; Y104-Y190 HydrophobicContact CG-CD1 4.14Å; K156-Y190 CarbonylContact O-C 3.54Å; K156-Y190 WeakPolarHBondContact O-CA 3.24Å; Y190-V192 HydrophobicContact CD2-CG2 3.97Å; Y190-V192 HydrophobicContact CE2-CG2 3.96Å
191	S	95.4	Very high	92	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.028	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.8	166.9	65.3	0	0	0	0	110	V99 Y155 K156 L158	V99-S191 CarbonylContact O-C 3.51Å; V99-S191 VanDerWaalsContact O-CA 3.28Å; V99-S191 WeakPolarHBondContact O-CA 3.42Å; V99-S191 VanDerWaalsContact O-CB 3.3Å; V99-S191 WeakPolarHBondContact O-CB 3.47Å; Y155-S191 WeakPolarHBondContact OH-CB 3.2Å; Y155-S191 PolarHBondContact OH-OG 3.13Å; K156-S191 PolarHBondContact O-N 2.86Å; L158-S191 PolarHBondContact N-O 3.45Å
192	V	96.1	Very high	92	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.2	178.3	-175.6	0	0	0	0	108.6	I93 E98 V99 L158 I160 Y190	I93-V192 HydrophobicContact CD1-CG2 4.22Å; I93-V192 HydrophobicContact CG1-CG2 4.11Å; I93-V192 HydrophobicContact CG2-CG1 4.18Å; I93-V192 HydrophobicContact CG2-CG2 4.29Å; E98-V192 WeakPolarHBondContact CA-O 3.33Å; V99-V192 HydrophobicContact CB-CB 4.01Å; V99-V192 HydrophobicContact CB-CG2 4.17Å; V99-V192 HydrophobicContact CG2-CB 4.19Å; V99-V192 HydrophobicContact CG2-CG2 4.28Å; V99-V192 PolarHBondContact N-O 2.86Å; V99-V192 PolarHBondContact O-N 3.12Å; L158-V192 HydrophobicContact CB-CG2 4.43Å; L158-V192 HydrophobicContact CD1-CG2 4.4Å; L158-V192 CarbonylContact O-C 3.57Å; L158-V192 WeakPolarHBondContact O-CA 3.36Å; I160-V192 HydrophobicContact CD1-CG1 3.79Å; I160-V192 HydrophobicContact CG1-CG1 4.36Å; Y190-V192 HydrophobicContact CD2-CG2 3.97Å; Y190-V192 HydrophobicContact CE2-CG2 3.96Å
193	K	96.1	Very high	92.3	Very high	86 Å²	86	68.9 Å²	68.9	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.3	173.6	-66.1	-166.3	174.9	-165	0	109.9	L158 E159 I160	L158-K193 PolarHBondContact O-N 3.41Å; E159-K193 CarbonylContact C-O 3.06Å; E159-K193 WeakPolarHBondContact CA-O 3.26Å; E159-K193 HydrophobicContact CG-CB 4.45Å; I160-K193 PolarHBondContact N-O 3.02Å
194	W	95.9	Very high	92.5	Very high	18 Å²	18	62.9 Å²	62.9	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.3	177.4	-70.2	93.4	0	0	0	110	V38 I93 K94 F95 K96 E97 I160 Y162 I167	V38-W194 HydrophobicContact CG2-CH2 4.09Å; V38-W194 HydrophobicContact CG2-CZ2 4.29Å; I93-W194 HydrophobicContact CG2-CZ2 4.31Å; K94-W194 VanDerWaalsContact O-CZ2 3.31Å; K94-W194 WeakPolarHBondContact O-CZ2 3.38Å; K94-W194 PolarHBondContact O-NE1 3.37Å; K94-W194 VanDerWaalsContact O-NE1 3.17Å; F95-W194 HydrophobicContact CD2-CE3 4.43Å; F95-W194 AromaticContact CD2-CH2 3.53Å; F95-W194 HydrophobicContact CD2-CH2 3.53Å; F95-W194 HydrophobicContact CD2-CZ2 4.32Å; F95-W194 AromaticContact CD2-CZ3 3.57Å; F95-W194 HydrophobicContact CD2-CZ3 3.57Å; F95-W194 HydrophobicContact CE2-CE3 4.48Å; F95-W194 HydrophobicContact CE2-CH2 4.15Å; F95-W194 AromaticContact CE2-CZ3 3.72Å; F95-W194 HydrophobicContact CE2-CZ3 3.72Å; F95-W194 HydrophobicContact CG-CH2 4.46Å; K96-W194 VanDerWaalsContact N-CE2 3.3Å; E97-W194 VanDerWaalsContact C-CD1 3.48Å; E97-W194 PolarHBondContact O-NE1 2.69Å; I160-W194 HydrophobicContact CB-CD2 4.18Å; I160-W194 HydrophobicContact CB-CE3 3.78Å; I160-W194 HydrophobicContact CB-CH2 4.1Å; I160-W194 HydrophobicContact CB-CZ2 4.47Å; I160-W194 HydrophobicContact CB-CZ3 3.76Å; I160-W194 HydrophobicContact CD1-CH2 3.91Å; I160-W194 HydrophobicContact CD1-CZ2 3.82Å; I160-W194 HydrophobicContact CD1-CZ3 4.46Å; I160-W194 HydrophobicContact CG2-CE3 3.72Å; I160-W194 HydrophobicContact CG2-CH2 3.62Å; I160-W194 HydrophobicContact CG2-CZ2 4.45Å; I160-W194 HydrophobicContact CG2-CZ3 3.21Å; I160-W194 CarbonylContact O-C 3.46Å; I160-W194 WeakPolarHBondContact O-CA 3.31Å; Y162-W194 HydrophobicContact CD1-CB 4.2Å; Y162-W194 AromaticContact CD1-CE3 3.94Å; Y162-W194 HydrophobicContact CD1-CE3 3.94Å; Y162-W194 HydrophobicContact CE1-CB 4.07Å; Y162-W194 HydrophobicContact CG-CE3 4.44Å; I167-W194 HydrophobicContact CD1-CH2 4.03Å; I167-W194 HydrophobicContact CD1-CZ3 4.37Å; I167-W194 HydrophobicContact CG1-CH2 4.29Å; I167-W194 HydrophobicContact CG1-CZ3 4.14Å
195	K	95.6	Very high	92.4	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.1	177	-72.1	-178.1	177.3	171.8	0	109.7	E159 I160 G161 Y162 S197	E159-K195 VanDerWaalsContact CD-NZ 3.33Å; E159-K195 IonicContact OE1-NZ 3.86Å; E159-K195 PolarHBondContact OE1-NZ 2.82Å; E159-K195 IonicContact OE2-NZ 3.13Å; E159-K195 PolarHBondContact OE2-NZ 3.06Å; I160-K195 PolarHBondContact O-N 3.05Å; G161-K195 CarbonylContact C-O 3.55Å; G161-K195 VanDerWaalsContact CA-O 3.25Å; G161-K195 WeakPolarHBondContact CA-O 3.2Å; Y162-K195 VanDerWaalsContact CD1-O 3.27Å; Y162-K195 WeakPolarHBondContact CD1-O 3.49Å; Y162-K195 PolarHBondContact N-O 3.47Å; K195-S197 PolarHBondContact O-N 3.33Å
196	K	95.1	Very high	92.2	Very high	157 Å²	157	57 Å²	57	68%	0.683	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	132.3	170.4	-171	178.1	177.4	-176.2	0	108.9	Y162	Y162-K196 HydrophobicContact CE1-CB 4.28Å; Y162-K196 HydrophobicContact CE2-CB 4.44Å; Y162-K196 HydrophobicContact CE2-CG 4.4Å
197	S	93.8	Very high	91.9	Very high	26 Å²	26	61.4 Å²	61.4	18%	0.182	30%	0.301	C	S	.	.			trans	-125.2	146.9	178.8	-176.9	0	0	0	0	110.4	Y162 N163 K195 V199	Y162-S197 PolarHBondContact O-N 3.01Å; N163-S197 WeakPolarHBondContact CB-O 3.49Å; K195-S197 PolarHBondContact O-N 3.33Å; S197-V199 VanDerWaalsContact C-N 3.34Å; S197-V199 WeakPolarHBondContact OG-CG2 3.41Å; S197-V199 PolarHBondContact OG-N 2.97Å
198	D	93.3	Very high	91.4	Very high	148 Å²	148	61 Å²	61	79%	0.791	29%	0.29	S	S	*	.			trans	-90.5	-1.6	175.6	-61.4	-42.3	0	0	0	112.5	K200	D198-K200 PolarHBondContact O-N 3.1Å
199	V	91.3	Very high	90.9	Very high	59 Å²	59	61.7 Å²	61.7	36%	0.358	29%	0.294	S	S	.	.			trans	-63.6	131.8	176.5	176.6	0	0	0	0	109.6	N163 V168 S197 D203	N163-V199 WeakPolarHBondContact CB-O 3.4Å; N163-V199 PolarHBondContact ND2-O 3.28Å; V168-V199 HydrophobicContact CB-CG1 4.48Å; V168-V199 HydrophobicContact CG2-CB 4.34Å; S197-V199 VanDerWaalsContact C-N 3.34Å; S197-V199 WeakPolarHBondContact OG-CG2 3.41Å; S197-V199 PolarHBondContact OG-N 2.97Å; V199-D203 HydrophobicContact CG1-CB 4.32Å
200	K	91.2	Very high	90.1	Very high	130 Å²	130	62.6 Å²	62.6	57%	0.565	30%	0.298	S	S	*	.			trans	-74.5	155.4	175.5	-63.4	179.4	-177.3	173.6	0	110.1	D198 E202 D203 R204	D198-K200 PolarHBondContact O-N 3.1Å; K200-E202 VanDerWaalsContact C-N 3.27Å; K200-E202 PolarHBondContact O-N 2.88Å; K200-D203 PolarHBondContact O-N 2.92Å; K200-R204 PolarHBondContact O-N 3.38Å
201	F	87.8	Confident	89.3	Confident	48 Å²	48	66 Å²	66	21%	0.211	32%	0.322	C	S	.	.	S	Bend	trans	-59.2	-38.1	179.2	-176.3	-98.2	0	0	0	113.1	H30 R166 D203 R204	H30-F201 HydrophobicContact CB-CE1 4.44Å; H30-F201 HydrophobicContact CB-CE2 3.54Å; H30-F201 HydrophobicContact CB-CZ 3.35Å; H30-F201 AromaticContact CD2-CZ 3.66Å; H30-F201 AromaticContact CG-CZ 3.56Å; R166-F201 HydrophobicContact CB-CD2 3.79Å; R166-F201 HydrophobicContact CB-CE2 4.31Å; R166-F201 HydrophobicContact CG-CD2 4.21Å; F201-D203 VanDerWaalsContact C-N 3.32Å; F201-D203 PolarHBondContact O-N 3.18Å; F201-R204 VanDerWaalsContact CZ-CZ 3.46Å; F201-R204 WeakPolarHBondContact O-CB 3.36Å; F201-R204 WeakPolarHBondContact O-CD 3.39Å; F201-R204 WeakPolarHBondContact O-CG 3.22Å; F201-R204 PolarHBondContact O-N 3.34Å
202	E	85.9	Confident	88.2	Confident	158 Å²	158	69.7 Å²	69.7	74%	0.738	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-63.3	-37.3	178.7	-65.4	167.6	-171.9	0	0	112	K200 R204	K200-E202 VanDerWaalsContact C-N 3.27Å; K200-E202 PolarHBondContact O-N 2.88Å; E202-R204 VanDerWaalsContact C-N 3.3Å; E202-R204 PolarHBondContact O-N 3.18Å
203	D	87.2	Confident	87.2	Confident	70 Å²	70	71.9 Å²	71.9	37%	0.374	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-86.8	3.7	-175.7	-53.1	-38.2	0	0	0	112.8	V199 K200 F201 F205 D206	V199-D203 HydrophobicContact CG1-CB 4.32Å; K200-D203 PolarHBondContact O-N 2.92Å; F201-D203 VanDerWaalsContact C-N 3.32Å; F201-D203 PolarHBondContact O-N 3.18Å; D203-F205 PolarHBondContact O-N 3.18Å; D203-F205 VanDerWaalsContact O-N 3.15Å; D203-D206 WeakPolarHBondContact O-CB 3.23Å; D203-D206 PolarHBondContact O-N 2.84Å; D203-D206 VanDerWaalsContact O-N 3.11Å
204	R	89.1	Confident	86.1	Confident	15 Å²	15	67.9 Å²	67.9	6%	0.057	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-62.1	-27.5	-171.4	74.9	-175.9	-171.9	160.2	-1.2	113.9	H30 D132 L134 V168 K200 F201 E202	H30-R204 PolarHBondContact CE1-NH2 2.93Å; D132-R204 PolarHBondContact O-NH1 3.26Å; D132-R204 PolarHBondContact O-NH2 3.14Å; D132-R204 IonicContact OD2-CZ 2.63Å; D132-R204 IonicContact OD2-NH1 3.13Å; D132-R204 PolarHBondContact OD2-NH1 3.05Å; L134-R204 HydrophobicContact CD2-CG 4.01Å; V168-R204 HydrophobicContact CB-CB 4.39Å; V168-R204 WeakPolarHBondContact O-CB 3.36Å; K200-R204 PolarHBondContact O-N 3.38Å; F201-R204 VanDerWaalsContact CZ-CZ 3.46Å; F201-R204 WeakPolarHBondContact O-CB 3.36Å; F201-R204 WeakPolarHBondContact O-CD 3.39Å; F201-R204 WeakPolarHBondContact O-CG 3.22Å; F201-R204 PolarHBondContact O-N 3.34Å; E202-R204 VanDerWaalsContact C-N 3.3Å; E202-R204 PolarHBondContact O-N 3.18Å
205	F	87.9	Confident	85.1	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.035	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-84.4	-12.1	-179.9	-88.7	-91.7	0	0	0	114.1	L134 D203 K207 Y208 L209 Y315 T316	L134-F205 HydrophobicContact CD2-CD2 4.31Å; L134-F205 HydrophobicContact CD2-CE2 3.94Å; L134-F205 HydrophobicContact CD2-CZ 4.12Å; D203-F205 PolarHBondContact O-N 3.18Å; D203-F205 VanDerWaalsContact O-N 3.15Å; F205-K207 PolarHBondContact O-N 3.1Å; F205-K207 VanDerWaalsContact O-N 3.09Å; F205-Y208 AromaticContact CD1-CD2 3.8Å; F205-Y208 HydrophobicContact CD1-CD2 3.8Å; F205-Y208 HydrophobicContact CD1-CE2 4.41Å; F205-Y208 HydrophobicContact CE1-CD2 4.33Å; F205-Y208 HydrophobicContact CG-CD2 4.39Å; F205-Y208 WeakPolarHBondContact O-CB 3.5Å; F205-Y208 PolarHBondContact O-N 3.12Å; F205-L209 PolarHBondContact O-N 2.63Å; F205-Y315 HydrophobicContact CB-CD2 4.44Å; F205-Y315 HydrophobicContact CB-CE2 3.93Å; F205-T316 HydrophobicContact CB-CG2 4.43Å; F205-T316 HydrophobicContact CD2-CG2 3.78Å; F205-T316 HydrophobicContact CE2-CG2 4.28Å; F205-T316 WeakPolarHBondContact CE2-O 3.39Å; F205-T316 HydrophobicContact CG-CG2 4.14Å; F205-T316 WeakPolarHBondContact CZ-O 3.32Å
206	D	86.1	Confident	84.3	Confident	82 Å²	82	71.2 Å²	71.2	44%	0.439	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-57.2	-31.2	-176.7	-78.6	-3.5	0	0	0	113	D203 Y208 L209	D203-D206 WeakPolarHBondContact O-CB 3.23Å; D203-D206 PolarHBondContact O-N 2.84Å; D203-D206 VanDerWaalsContact O-N 3.11Å; D206-Y208 PolarHBondContact O-N 2.88Å; D206-L209 WeakPolarHBondContact O-CB 3.28Å; D206-L209 PolarHBondContact O-N 3.07Å
207	K	85.8	Confident	83.5	Confident	98 Å²	98	73.9 Å²	73.9	43%	0.426	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-60	-30.4	175.7	-179.6	-175.7	172.8	-164.4	0	113.3	D169 V170 N171 F205	D169-K207 WeakPolarHBondContact OD1-CD 3.4Å; D169-K207 WeakPolarHBondContact OD1-CE 3.45Å; D169-K207 IonicContact OD1-NZ 3.95Å; D169-K207 PolarHBondContact OD1-NZ 3.08Å; D169-K207 IonicContact OD2-NZ 3.16Å; V170-K207 PolarHBondContact O-NZ 3.09Å; N171-K207 VanDerWaalsContact CG-NZ 3.33Å; N171-K207 WeakPolarHBondContact OD1-CE 3.11Å; N171-K207 PolarHBondContact OD1-NZ 3.14Å; F205-K207 PolarHBondContact O-N 3.1Å; F205-K207 VanDerWaalsContact O-N 3.09Å
208	Y	83.8	Confident	82.7	Confident	37 Å²	37	75.7 Å²	75.7	15%	0.145	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-89.6	-16.1	-179.3	-57.3	-66.4	0	0	0	112.9	L134 P135 W137 F205 D206	L134-Y208 HydrophobicContact CD2-CE2 3.92Å; P135-Y208 HydrophobicContact CG-CD1 4.24Å; P135-Y208 HydrophobicContact CG-CD2 4.46Å; P135-Y208 HydrophobicContact CG-CE1 3.98Å; P135-Y208 HydrophobicContact CG-CE2 4.26Å; P135-Y208 HydrophobicContact CG-CG 4.44Å; P135-Y208 VanDerWaalsContact O-CE1 3.28Å; P135-Y208 WeakPolarHBondContact O-CE1 3.4Å; P135-Y208 PolarHBondContact O-OH 3.2Å; W137-Y208 AromaticContact CH2-CD1 4Å; W137-Y208 HydrophobicContact CH2-CD1 4Å; W137-Y208 HydrophobicContact CH2-CE1 4.27Å; W137-Y208 AromaticContact CZ3-CD1 3.54Å; W137-Y208 HydrophobicContact CZ3-CD1 3.54Å; W137-Y208 AromaticContact CZ3-CE1 3.6Å; W137-Y208 HydrophobicContact CZ3-CE1 3.6Å; F205-Y208 AromaticContact CD1-CD2 3.8Å; F205-Y208 HydrophobicContact CD1-CD2 3.8Å; F205-Y208 HydrophobicContact CD1-CE2 4.41Å; F205-Y208 HydrophobicContact CE1-CD2 4.33Å; F205-Y208 HydrophobicContact CG-CD2 4.39Å; F205-Y208 WeakPolarHBondContact O-CB 3.5Å; F205-Y208 PolarHBondContact O-N 3.12Å; D206-Y208 PolarHBondContact O-N 2.88Å
209	L	83.2	Confident	82	Confident	16 Å²	16	68.7 Å²	68.7	8%	0.084	33%	0.333	C	S	.	.	S	Bend	trans	-74.8	145.8	172.4	-53.1	-176.3	0	0	0	108.5	F205 D206 P211 Y315 I474 Y476	F205-L209 PolarHBondContact O-N 2.63Å; D206-L209 WeakPolarHBondContact O-CB 3.28Å; D206-L209 PolarHBondContact O-N 3.07Å; L209-P211 VanDerWaalsContact C-CD 3.49Å; L209-P211 WeakPolarHBondContact O-CD 3.38Å; L209-Y315 HydrophobicContact CD1-CE2 4.3Å; L209-Y315 HydrophobicContact CD2-CD2 4.3Å; L209-Y315 HydrophobicContact CD2-CE2 4.21Å; L209-I474 HydrophobicContact CD2-CB 4.17Å; L209-I474 HydrophobicContact CD2-CG2 4.03Å; L209-Y476 HydrophobicContact CB-CD1 4.05Å; L209-Y476 HydrophobicContact CB-CE1 3.95Å; L209-Y476 HydrophobicContact CD1-CD1 4.18Å; L209-Y476 HydrophobicContact CD1-CD2 4.02Å; L209-Y476 HydrophobicContact CD1-CE2 4.42Å; L209-Y476 HydrophobicContact CD1-CG 3.88Å; L209-Y476 HydrophobicContact CD2-CD1 3.8Å; L209-Y476 HydrophobicContact CD2-CG 3.99Å; L209-Y476 HydrophobicContact CG-CD1 4.22Å; L209-Y476 HydrophobicContact CG-CG 4.37Å
210	D	77.9	Confident	81.5	Confident	31 Å²	31	73.4 Å²	73.4	17%	0.166	34%	0.344	C	S	.	.			trans	-113.4	86.2	176.9	-171.7	-11.3	0	0	0	111	S212 F213 F214 K473	D210-S212 PolarHBondContact O-N 2.62Å; D210-S212 WeakPolarHBondContact OD1-CB 3.17Å; D210-S212 PolarHBondContact OD1-N 2.59Å; D210-S212 VanDerWaalsContact OD1-N 3.08Å; D210-S212 PolarHBondContact OD1-OG 3.08Å; D210-F213 HydrophobicContact CB-CB 4.1Å; D210-F213 PolarHBondContact O-N 2.98Å; D210-F213 PolarHBondContact OD1-N 3.39Å; D210-F213 VanDerWaalsContact OD1-N 3.14Å; D210-F214 WeakPolarHBondContact O-CD2 3.44Å; D210-F214 PolarHBondContact O-N 2.92Å; D210-F214 VanDerWaalsContact O-N 3.1Å; D210-K473 HydrophobicContact CB-CD 3.92Å; D210-K473 VanDerWaalsContact OD2-CE 3.25Å; D210-K473 WeakPolarHBondContact OD2-CE 3.39Å; D210-K473 IonicContact OD2-NZ 3.6Å; D210-K473 PolarHBondContact OD2-NZ 3.22Å
211	P	76.1	Confident	81.1	Confident	87 Å²	87	73.6 Å²	73.6	57%	0.565	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.7	178.5	-21.7	31.4	0	0	0	113.3	L209 F213 F214 Y476	L209-P211 VanDerWaalsContact C-CD 3.49Å; L209-P211 WeakPolarHBondContact O-CD 3.38Å; P211-F213 VanDerWaalsContact C-N 3.31Å; P211-F214 CarbonylContact O-C 3.25Å; P211-Y476 WeakPolarHBondContact CA-OH 3.24Å
212	S	74.2	Confident	80.7	Confident	83 Å²	83	71.4 Å²	71.4	58%	0.58	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.2	-178.7	80.4	0	0	0	0	112.2	D210 Q215	D210-S212 PolarHBondContact O-N 2.62Å; D210-S212 WeakPolarHBondContact OD1-CB 3.17Å; D210-S212 PolarHBondContact OD1-N 2.59Å; D210-S212 VanDerWaalsContact OD1-N 3.08Å; D210-S212 PolarHBondContact OD1-OG 3.08Å; S212-Q215 WeakPolarHBondContact O-CG 3.25Å; S212-Q215 PolarHBondContact O-NE2 2.83Å
213	F	74.9	Confident	80.5	Confident	46 Å²	46	64.8 Å²	64.8	20%	0.202	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-47.8	175	-178	-100.2	0	0	0	111.8	D210 P211 Q215 Y463 F464 T467 K473	D210-F213 HydrophobicContact CB-CB 4.1Å; D210-F213 PolarHBondContact O-N 2.98Å; D210-F213 PolarHBondContact OD1-N 3.39Å; D210-F213 VanDerWaalsContact OD1-N 3.14Å; P211-F213 VanDerWaalsContact C-N 3.31Å; F213-Q215 PolarHBondContact O-N 3.42Å; F213-Y463 HydrophobicContact CZ-CE1 4.31Å; F213-F464 HydrophobicContact CD1-CD1 4.45Å; F213-F464 AromaticContact CE1-CD1 3.72Å; F213-F464 HydrophobicContact CE1-CD1 3.72Å; F213-F464 HydrophobicContact CE1-CE1 4.12Å; F213-F464 HydrophobicContact CZ-CD1 4.03Å; F213-F464 HydrophobicContact CZ-CE1 4.23Å; F213-T467 HydrophobicContact CE1-CG2 3.88Å; F213-T467 HydrophobicContact CE2-CG2 4.16Å; F213-T467 HydrophobicContact CZ-CG2 3.42Å; F213-T467 VanDerWaalsContact CZ-CG2 3.42Å; F213-K473 HydrophobicContact CD1-CG 4.26Å; F213-K473 HydrophobicContact CE1-CG 4.48Å
214	F	73.1	Confident	80.4	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	31%	0.313	C	S	.	.	S	Bend	trans	-84.8	53.8	177.9	-64.5	-74.7	0	0	0	112.1	D210 P211 H216 H219 F464 S468 K473 I474 Y475 Y476 V477	D210-F214 WeakPolarHBondContact O-CD2 3.44Å; D210-F214 PolarHBondContact O-N 2.92Å; D210-F214 VanDerWaalsContact O-N 3.1Å; P211-F214 CarbonylContact O-C 3.25Å; F214-H216 PolarHBondContact O-N 3.03Å; F214-H219 AromaticContact CD1-NE2 3.77Å; F214-F464 HydrophobicContact CD1-CD1 4.06Å; F214-F464 HydrophobicContact CE1-CB 4.3Å; F214-F464 HydrophobicContact CE1-CD1 4.12Å; F214-S468 WeakPolarHBondContact CZ-OG 3.26Å; F214-K473 HydrophobicContact CE2-CB 4.11Å; F214-K473 HydrophobicContact CZ-CB 4.2Å; F214-I474 WeakPolarHBondContact CE2-O 3.32Å; F214-Y475 HydrophobicContact CD1-CD2 4.47Å; F214-Y475 AromaticContact CE1-CD2 3.69Å; F214-Y475 HydrophobicContact CE1-CD2 3.69Å; F214-Y475 HydrophobicContact CE1-CE2 4.16Å; F214-Y475 HydrophobicContact CZ-CD2 4.17Å; F214-Y476 HydrophobicContact CB-CE1 4.08Å; F214-Y476 HydrophobicContact CD2-CD1 4.14Å; F214-Y476 AromaticContact CD2-CE1 3.58Å; F214-Y476 HydrophobicContact CD2-CE1 3.58Å; F214-Y476 HydrophobicContact CE2-CD1 4.46Å; F214-Y476 HydrophobicContact CE2-CE1 4.3Å; F214-Y476 HydrophobicContact CG-CE1 4.07Å; F214-V477 HydrophobicContact CB-CG2 4.03Å; F214-V477 HydrophobicContact CD1-CG2 4.45Å; F214-V477 HydrophobicContact CG-CG2 4.29Å
215	Q	74.8	Confident	80	Confident	92 Å²	92	70.2 Å²	70.2	43%	0.43	33%	0.33	S	S	.	.			trans	-61.8	117.7	-178.8	-58.3	-173.6	-0.7	0	0	110.2	S212 F213 R217 I218 H219	S212-Q215 WeakPolarHBondContact O-CG 3.25Å; S212-Q215 PolarHBondContact O-NE2 2.83Å; F213-Q215 PolarHBondContact O-N 3.42Å; Q215-R217 PolarHBondContact O-N 3.25Å; Q215-I218 HydrophobicContact CB-CD1 3.98Å; Q215-I218 HydrophobicContact CB-CG1 4.06Å; Q215-I218 HydrophobicContact CG-CD1 4.29Å; Q215-I218 PolarHBondContact O-N 3.08Å; Q215-H219 PolarHBondContact O-CD2 3.03Å; Q215-H219 PolarHBondContact O-N 3.05Å
216	H	77.1	Confident	79.7	Confident	103 Å²	103	70 Å²	70	48%	0.477	33%	0.33	S	S	.	.	H	α-helix	trans	-51.7	-31.4	177	-66.7	-63.4	0	0	0	112.9	F214 I218 H219 W220 F480	F214-H216 PolarHBondContact O-N 3.03Å; H216-I218 VanDerWaalsContact C-N 3.34Å; H216-I218 PolarHBondContact O-N 3.32Å; H216-H219 PolarHBondContact O-N 3.39Å; H216-W220 WeakPolarHBondContact O-CB 3.39Å; H216-W220 VanDerWaalsContact O-CD1 3.24Å; H216-W220 PolarHBondContact O-N 3.22Å; H216-F480 AromaticContact ND1-CE2 3.75Å; H216-F480 AromaticContact ND1-CZ 3.88Å
217	R	78.5	Confident	79.5	Confident	213 Å²	213	71 Å²	71	80%	0.804	33%	0.33	S	S	*	.	H	α-helix	trans	-60.7	-39.4	176.8	-63.9	-173.1	-174.8	-132.7	1.9	112.9	Q215 F221	Q215-R217 PolarHBondContact O-N 3.25Å; R217-F221 WeakPolarHBondContact O-CB 3.46Å; R217-F221 PolarHBondContact O-N 2.97Å
218	I	77.3	Confident	79.3	Confident	65 Å²	65	69.9 Å²	69.9	33%	0.333	33%	0.328	S	S	.	.	H	α-helix	trans	-72.7	-40.7	-178.8	-57	171.9	0	0	0	109.9	Q215 H216 F221 S222 I460 F464	Q215-I218 HydrophobicContact CB-CD1 3.98Å; Q215-I218 HydrophobicContact CB-CG1 4.06Å; Q215-I218 HydrophobicContact CG-CD1 4.29Å; Q215-I218 PolarHBondContact O-N 3.08Å; H216-I218 VanDerWaalsContact C-N 3.34Å; H216-I218 PolarHBondContact O-N 3.32Å; I218-F221 WeakPolarHBondContact O-CB 3.06Å; I218-F221 PolarHBondContact O-N 3.35Å; I218-S222 WeakPolarHBondContact O-CB 3.39Å; I218-S222 PolarHBondContact O-N 2.98Å; I218-I460 HydrophobicContact CG2-CG2 4.44Å; I218-F464 HydrophobicContact CB-CZ 4.19Å; I218-F464 HydrophobicContact CG2-CE2 3.88Å; I218-F464 HydrophobicContact CG2-CZ 3.67Å
219	H	78.5	Confident	79.1	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-42.4	175	-67	-69.2	0	0	0	112.3	F214 Q215 H216 F221 S222 I223 E461 F464 F480	F214-H219 AromaticContact CD1-NE2 3.77Å; Q215-H219 PolarHBondContact O-CD2 3.03Å; Q215-H219 PolarHBondContact O-N 3.05Å; H216-H219 PolarHBondContact O-N 3.39Å; H219-F221 VanDerWaalsContact C-N 3.34Å; H219-F221 PolarHBondContact O-N 3.47Å; H219-S222 WeakPolarHBondContact O-CB 3.35Å; H219-S222 PolarHBondContact O-N 3.4Å; H219-I223 WeakPolarHBondContact O-CG1 3.46Å; H219-I223 PolarHBondContact O-N 3.12Å; H219-E461 IonicContact CE1-OE1 2.83Å; H219-E461 IonicContact CE1-OE2 2.95Å; H219-E461 IonicContact CG-OE1 3.75Å; H219-E461 IonicContact ND1-OE1 2.77Å; H219-E461 PolarHBondContact ND1-OE1 3.39Å; H219-E461 IonicContact ND1-OE2 3.66Å; H219-E461 PolarHBondContact ND1-OE2 3.43Å; H219-E461 VanDerWaalsContact ND1-OE2 3.16Å; H219-F464 AromaticContact CE1-CD2 3.41Å; H219-F464 VanDerWaalsContact CE1-CD2 3.41Å; H219-F464 WeakPolarHBondContact CE1-CD2 3.41Å; H219-F464 AromaticContact CE1-CE2 3.65Å; H219-F464 AromaticContact CE1-CG 3.66Å; H219-F464 AromaticContact ND1-CD2 3.86Å; H219-F464 AromaticContact ND1-CE2 3.91Å; H219-F480 HydrophobicContact CB-CD1 3.42Å; H219-F480 VanDerWaalsContact CB-CD1 3.42Å; H219-F480 HydrophobicContact CB-CE1 3.48Å; H219-F480 VanDerWaalsContact CB-CE1 3.48Å; H219-F480 HydrophobicContact CB-CG 4.13Å; H219-F480 HydrophobicContact CB-CZ 4.18Å
220	W	82.1	Confident	79.1	Confident	158 Å²	158	71.1 Å²	71.1	60%	0.598	34%	0.336	S	S	*	.	H	α-helix	trans	-64.1	-38	174	-87.5	106.1	0	0	0	112.8	H216 I223 F224 F480	H216-W220 WeakPolarHBondContact O-CB 3.39Å; H216-W220 VanDerWaalsContact O-CD1 3.24Å; H216-W220 PolarHBondContact O-N 3.22Å; W220-I223 PolarHBondContact O-N 3.45Å; W220-F224 WeakPolarHBondContact O-CB 3.49Å; W220-F224 PolarHBondContact O-N 3.28Å; W220-F480 AromaticContact CD1-CE1 3.88Å; W220-F480 AromaticContact CD1-CZ 3.92Å; W220-F480 HydrophobicContact CG-CE1 4.27Å; W220-F480 AromaticContact NE1-CE1 3.89Å; W220-F480 AromaticContact NE1-CZ 3.72Å
221	F	82.4	Confident	79.5	Confident	134 Å²	134	73.8 Å²	73.8	59%	0.588	35%	0.349	S	S	*	.	H	α-helix	trans	-62.4	-44.2	173.4	179	-97.4	0	0	0	111.7	R217 I218 H219 F224 N225 I460	R217-F221 WeakPolarHBondContact O-CB 3.46Å; R217-F221 PolarHBondContact O-N 2.97Å; I218-F221 WeakPolarHBondContact O-CB 3.06Å; I218-F221 PolarHBondContact O-N 3.35Å; H219-F221 VanDerWaalsContact C-N 3.34Å; H219-F221 PolarHBondContact O-N 3.47Å; F221-F224 PolarHBondContact O-N 3.46Å; F221-N225 WeakPolarHBondContact O-CB 3.48Å; F221-N225 PolarHBondContact O-N 3.48Å; F221-I460 HydrophobicContact CD1-CD1 4.46Å
222	S	78.9	Confident	79.8	Confident	2 Å²	2	76 Å²	76	1%	0.014	35%	0.35	C	S	.	.	H	α-helix	trans	-58.5	-48.1	174.9	177	0	0	0	0	112.3	I218 H219 N225 S226 I460 E461	I218-S222 WeakPolarHBondContact O-CB 3.39Å; I218-S222 PolarHBondContact O-N 2.98Å; H219-S222 WeakPolarHBondContact O-CB 3.35Å; H219-S222 PolarHBondContact O-N 3.4Å; S222-N225 PolarHBondContact O-N 3.24Å; S222-S226 WeakPolarHBondContact O-CB 3.3Å; S222-S226 PolarHBondContact O-N 3.19Å; S222-S226 PolarHBondContact O-OG 3.5Å; S222-I460 WeakPolarHBondContact OG-CB 3.39Å; S222-E461 PolarHBondContact OG-OE1 2.93Å
223	I	82.3	Confident	80.2	Confident	19 Å²	19	72.4 Å²	72.4	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-46.2	177.6	-71.7	177.5	0	0	0	110.7	H219 W220 N225 S226 F227 F480 L483 I487	H219-I223 WeakPolarHBondContact O-CG1 3.46Å; H219-I223 PolarHBondContact O-N 3.12Å; W220-I223 PolarHBondContact O-N 3.45Å; I223-N225 PolarHBondContact O-N 2.88Å; I223-S226 PolarHBondContact O-N 3.22Å; I223-F227 WeakPolarHBondContact O-CB 3.43Å; I223-F227 PolarHBondContact O-N 3.26Å; I223-F480 HydrophobicContact CD1-CD1 3.4Å; I223-F480 VanDerWaalsContact CD1-CD1 3.4Å; I223-F480 HydrophobicContact CD1-CE1 3.97Å; I223-F480 HydrophobicContact CD1-CG 4.37Å; I223-F480 HydrophobicContact CG1-CD1 4.46Å; I223-L483 HydrophobicContact CD1-CB 4.21Å; I223-L483 HydrophobicContact CD1-CD1 3.75Å; I223-I487 HydrophobicContact CG2-CD1 4.31Å
224	F	85.1	Confident	80.5	Confident	123 Å²	123	73.1 Å²	73.1	54%	0.539	33%	0.333	S	S	.	.	H	α-helix	trans	-60.3	-47.1	-179.8	-179.1	-97.8	0	0	0	111.6	W220 F221 S226 F227 M228	W220-F224 WeakPolarHBondContact O-CB 3.49Å; W220-F224 PolarHBondContact O-N 3.28Å; F221-F224 PolarHBondContact O-N 3.46Å; F224-S226 VanDerWaalsContact C-N 3.34Å; F224-S226 PolarHBondContact O-N 3.38Å; F224-F227 PolarHBondContact O-N 3.07Å; F224-M228 HydrophobicContact CD1-CG 4.27Å; F224-M228 HydrophobicContact CD2-CE 4.45Å; F224-M228 HydrophobicContact CE1-CG 3.86Å; F224-M228 HydrophobicContact CE1-SD 4.46Å; F224-M228 HydrophobicContact CE2-CE 3.89Å; F224-M228 HydrophobicContact CE2-CG 4.49Å; F224-M228 HydrophobicContact CE2-SD 4.42Å; F224-M228 HydrophobicContact CZ-CE 4.09Å; F224-M228 HydrophobicContact CZ-CG 3.98Å; F224-M228 HydrophobicContact CZ-SD 4.01Å; F224-M228 WeakPolarHBondContact O-CG 3.23Å; F224-M228 PolarHBondContact O-N 3.02Å
225	N	79.4	Confident	81.1	Confident	76 Å²	76	75 Å²	75	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-43.8	178.1	-173.6	55.8	0	0	0	111.8	F221 S222 I223 F227 M228 M229	F221-N225 WeakPolarHBondContact O-CB 3.48Å; F221-N225 PolarHBondContact O-N 3.48Å; S222-N225 PolarHBondContact O-N 3.24Å; I223-N225 PolarHBondContact O-N 2.88Å; N225-F227 VanDerWaalsContact C-N 3.34Å; N225-F227 PolarHBondContact O-N 3.47Å; N225-M228 PolarHBondContact O-N 3.27Å; N225-M229 WeakPolarHBondContact O-CG 3.32Å; N225-M229 PolarHBondContact O-N 3.39Å
226	S	82	Confident	81.3	Confident	4 Å²	4	73.5 Å²	73.5	3%	0.028	35%	0.347	C	S	.	.	H	α-helix	trans	-69.6	-33.6	179.4	-53.9	0	0	0	0	112.1	S222 I223 F224 M229 V230 S457	S222-S226 WeakPolarHBondContact O-CB 3.3Å; S222-S226 PolarHBondContact O-N 3.19Å; S222-S226 PolarHBondContact O-OG 3.5Å; I223-S226 PolarHBondContact O-N 3.22Å; F224-S226 VanDerWaalsContact C-N 3.34Å; F224-S226 PolarHBondContact O-N 3.38Å; S226-M229 WeakPolarHBondContact O-CB 3.41Å; S226-M229 PolarHBondContact O-N 3.28Å; S226-V230 WeakPolarHBondContact O-CG2 3.44Å; S226-V230 PolarHBondContact O-N 2.95Å; S226-V230 VanDerWaalsContact O-N 3.11Å; S226-S457 WeakPolarHBondContact CB-O 3.46Å; S226-S457 PolarHBondContact OG-O 3.13Å
227	F	81.3	Confident	81.3	Confident	102 Å²	102	69.3 Å²	69.3	45%	0.447	33%	0.328	S	S	.	.	H	α-helix	trans	-68.8	-39.6	174.5	-178.2	-110.2	0	0	0	112.4	I223 F224 N225 M229 V230 I231	I223-F227 WeakPolarHBondContact O-CB 3.43Å; I223-F227 PolarHBondContact O-N 3.26Å; F224-F227 PolarHBondContact O-N 3.07Å; N225-F227 VanDerWaalsContact C-N 3.34Å; N225-F227 PolarHBondContact O-N 3.47Å; F227-M229 VanDerWaalsContact C-N 3.29Å; F227-M229 PolarHBondContact O-N 3.18Å; F227-V230 WeakPolarHBondContact O-CB 3.43Å; F227-V230 PolarHBondContact O-N 3.14Å; F227-V230 VanDerWaalsContact O-N 3.15Å; F227-I231 HydrophobicContact CD1-CD1 3.98Å; F227-I231 HydrophobicContact CE1-CD1 3.47Å; F227-I231 VanDerWaalsContact CE1-CD1 3.47Å; F227-I231 HydrophobicContact CE1-CG1 4.24Å; F227-I231 HydrophobicContact CZ-CD1 3.85Å; F227-I231 HydrophobicContact CZ-CG1 4.23Å; F227-I231 PolarHBondContact O-N 3.18Å
228	M	82.3	Confident	81.2	Confident	76 Å²	76	61.8 Å²	61.8	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-59.6	-40.8	172.4	-70.3	-60.4	101.6	0	0	111.7	F224 N225 V230 I231 F232	F224-M228 HydrophobicContact CD1-CG 4.27Å; F224-M228 HydrophobicContact CD2-CE 4.45Å; F224-M228 HydrophobicContact CE1-CG 3.86Å; F224-M228 HydrophobicContact CE1-SD 4.46Å; F224-M228 HydrophobicContact CE2-CE 3.89Å; F224-M228 HydrophobicContact CE2-CG 4.49Å; F224-M228 HydrophobicContact CE2-SD 4.42Å; F224-M228 HydrophobicContact CZ-CE 4.09Å; F224-M228 HydrophobicContact CZ-CG 3.98Å; F224-M228 HydrophobicContact CZ-SD 4.01Å; F224-M228 WeakPolarHBondContact O-CG 3.23Å; F224-M228 PolarHBondContact O-N 3.02Å; N225-M228 PolarHBondContact O-N 3.27Å; M228-V230 VanDerWaalsContact C-N 3.34Å; M228-V230 PolarHBondContact O-N 3.25Å; M228-I231 HydrophobicContact CE-CD1 3.72Å; M228-I231 PolarHBondContact O-N 3.4Å; M228-F232 PolarHBondContact O-N 3.27Å
229	M	80.3	Confident	81.2	Confident	65 Å²	65	64.7 Å²	64.7	32%	0.32	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-39.4	174.5	-69.1	-63.9	-68.7	0	0	112.4	N225 S226 F227 F232 L233 L453	N225-M229 WeakPolarHBondContact O-CG 3.32Å; N225-M229 PolarHBondContact O-N 3.39Å; S226-M229 WeakPolarHBondContact O-CB 3.41Å; S226-M229 PolarHBondContact O-N 3.28Å; F227-M229 VanDerWaalsContact C-N 3.29Å; F227-M229 PolarHBondContact O-N 3.18Å; M229-F232 PolarHBondContact O-N 2.9Å; M229-L233 WeakPolarHBondContact O-CG 3.32Å; M229-L233 PolarHBondContact O-N 3.21Å; M229-L453 HydrophobicContact CE-CD2 3.55Å
230	V	82.3	Confident	81	Confident	13 Å²	13	66.5 Å²	66.5	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-49.1	174.1	170.9	0	0	0	0	111.2	S226 F227 M228 F232 L233 V234 I487 I490 V491	S226-V230 WeakPolarHBondContact O-CG2 3.44Å; S226-V230 PolarHBondContact O-N 2.95Å; S226-V230 VanDerWaalsContact O-N 3.11Å; F227-V230 WeakPolarHBondContact O-CB 3.43Å; F227-V230 PolarHBondContact O-N 3.14Å; F227-V230 VanDerWaalsContact O-N 3.15Å; M228-V230 VanDerWaalsContact C-N 3.34Å; M228-V230 PolarHBondContact O-N 3.25Å; V230-F232 VanDerWaalsContact C-N 3.28Å; V230-F232 PolarHBondContact O-N 3.31Å; V230-L233 PolarHBondContact O-N 3.06Å; V230-L233 VanDerWaalsContact O-N 3.17Å; V230-V234 HydrophobicContact CG1-CG2 4.1Å; V230-V234 WeakPolarHBondContact O-CB 3.13Å; V230-V234 WeakPolarHBondContact O-CG2 3.37Å; V230-V234 PolarHBondContact O-N 3.38Å; V230-I487 HydrophobicContact CG2-CG2 3.96Å; V230-I490 HydrophobicContact CG1-CG2 3.65Å; V230-V491 HydrophobicContact CG2-CG2 3.4Å
231	I	86.1	Confident	80.4	Confident	88 Å²	88	61.9 Å²	61.9	45%	0.451	32%	0.318	S	S	.	.	H	α-helix	trans	-57.3	-45.8	179.3	-70.3	174	0	0	0	110.4	F227 M228 L233 G235	F227-I231 HydrophobicContact CD1-CD1 3.98Å; F227-I231 HydrophobicContact CE1-CD1 3.47Å; F227-I231 VanDerWaalsContact CE1-CD1 3.47Å; F227-I231 HydrophobicContact CE1-CG1 4.24Å; F227-I231 HydrophobicContact CZ-CD1 3.85Å; F227-I231 HydrophobicContact CZ-CG1 4.23Å; F227-I231 PolarHBondContact O-N 3.18Å; M228-I231 HydrophobicContact CE-CD1 3.72Å; M228-I231 PolarHBondContact O-N 3.4Å; I231-L233 PolarHBondContact O-N 3.47Å; I231-G235 PolarHBondContact O-N 2.7Å
232	F	83.9	Confident	79.9	Confident	132 Å²	132	60.1 Å²	60.1	58%	0.579	31%	0.313	S	S	*	.	H	α-helix	trans	-59.4	-46.3	177.7	177.7	-101.3	0	0	0	112	M228 M229 V230 G235 L236	M228-F232 PolarHBondContact O-N 3.27Å; M229-F232 PolarHBondContact O-N 2.9Å; V230-F232 VanDerWaalsContact C-N 3.28Å; V230-F232 PolarHBondContact O-N 3.31Å; F232-G235 PolarHBondContact O-N 3.49Å; F232-L236 HydrophobicContact CE1-CD1 4.2Å; F232-L236 HydrophobicContact CZ-CD1 4.36Å; F232-L236 WeakPolarHBondContact O-CB 3.23Å; F232-L236 PolarHBondContact O-N 2.96Å
233	L	81.9	Confident	79.4	Confident	9 Å²	9	68.4 Å²	68.4	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-68.5	-42.5	-179.1	-74	168.9	0	0	0	113.1	M229 V230 I231 G235 L236 V237 L453 V491 C494 V495	M229-L233 WeakPolarHBondContact O-CG 3.32Å; M229-L233 PolarHBondContact O-N 3.21Å; V230-L233 PolarHBondContact O-N 3.06Å; V230-L233 VanDerWaalsContact O-N 3.17Å; I231-L233 PolarHBondContact O-N 3.47Å; L233-G235 VanDerWaalsContact C-N 3.27Å; L233-G235 PolarHBondContact O-N 2.72Å; L233-L236 PolarHBondContact O-N 2.9Å; L233-V237 WeakPolarHBondContact O-CG2 3.2Å; L233-V237 PolarHBondContact O-N 3.38Å; L233-L453 HydrophobicContact CD1-CD1 4.34Å; L233-L453 HydrophobicContact CD2-CD1 3.74Å; L233-V491 HydrophobicContact CD1-CG1 3.83Å; L233-C494 HydrophobicContact CB-CB 4.24Å; L233-V495 HydrophobicContact CD1-CG2 3.99Å; L233-V495 HydrophobicContact CD2-CG2 4.35Å
234	V	82	Confident	78.5	Confident	61 Å²	61	68.5 Å²	68.5	37%	0.37	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-40.3	174.3	172.7	0	0	0	0	110.1	V230 V237 S238	V230-V234 HydrophobicContact CG1-CG2 4.1Å; V230-V234 WeakPolarHBondContact O-CB 3.13Å; V230-V234 WeakPolarHBondContact O-CG2 3.37Å; V230-V234 PolarHBondContact O-N 3.38Å; V234-V237 PolarHBondContact O-N 2.89Å; V234-S238 WeakPolarHBondContact O-CB 3.14Å; V234-S238 PolarHBondContact O-N 3.13Å; V234-S238 PolarHBondContact O-OG 2.82Å
235	G	84	Confident	77.5	Confident	40 Å²	40	68 Å²	68	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-60.4	-45.7	173.3	0	0	0	0	0	112.5	I231 F232 L233 S238 M239	I231-G235 PolarHBondContact O-N 2.7Å; F232-G235 PolarHBondContact O-N 3.49Å; L233-G235 VanDerWaalsContact C-N 3.27Å; L233-G235 PolarHBondContact O-N 2.72Å; G235-S238 PolarHBondContact O-N 3.18Å; G235-M239 WeakPolarHBondContact O-CB 3.42Å; G235-M239 PolarHBondContact O-N 2.97Å
236	L	78.9	Confident	77	Confident	60 Å²	60	72.6 Å²	72.6	31%	0.314	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-48.2	177.2	-172	158.1	0	0	0	111.5	F232 L233 S238 M239 I240 V498	F232-L236 HydrophobicContact CE1-CD1 4.2Å; F232-L236 HydrophobicContact CZ-CD1 4.36Å; F232-L236 WeakPolarHBondContact O-CB 3.23Å; F232-L236 PolarHBondContact O-N 2.96Å; L233-L236 PolarHBondContact O-N 2.9Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 3.13Å; L236-M239 WeakPolarHBondContact O-CB 3.35Å; L236-M239 PolarHBondContact O-N 3.08Å; L236-I240 HydrophobicContact CD2-CD1 3.45Å; L236-I240 VanDerWaalsContact CD2-CD1 3.45Å; L236-I240 HydrophobicContact CD2-CG1 4.12Å; L236-I240 WeakPolarHBondContact O-CG1 3.24Å; L236-I240 PolarHBondContact O-N 3.5Å; L236-V498 HydrophobicContact CD2-CG1 4.46Å; L236-V498 HydrophobicContact CD2-CG2 4.02Å
237	V	77.1	Confident	76.2	Confident	15 Å²	15	79.3 Å²	79.3	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-60.8	-44.7	177.3	177.3	0	0	0	0	110.4	L233 V234 M239 I240 L241 C494 I497 V498	L233-V237 WeakPolarHBondContact O-CG2 3.2Å; L233-V237 PolarHBondContact O-N 3.38Å; V234-V237 PolarHBondContact O-N 2.89Å; V237-M239 VanDerWaalsContact C-N 3.34Å; V237-M239 PolarHBondContact O-N 3.42Å; V237-I240 PolarHBondContact O-N 3.3Å; V237-L241 HydrophobicContact CG1-CD1 4Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 WeakPolarHBondContact O-CG 3.35Å; V237-L241 PolarHBondContact O-N 2.95Å; V237-C494 HydrophobicContact CG2-CB 4.14Å; V237-I497 HydrophobicContact CG1-CG2 4.2Å; V237-V498 HydrophobicContact CG2-CG2 3.49Å; V237-V498 VanDerWaalsContact CG2-CG2 3.49Å
238	S	77.9	Confident	75.2	Confident	56 Å²	56	76 Å²	76	39%	0.392	38%	0.375	S	S	.	.	H	α-helix	trans	-63.4	-40.2	177.3	-59.8	0	0	0	0	111.6	V234 G235 L236 L241 M242	V234-S238 WeakPolarHBondContact O-CB 3.14Å; V234-S238 PolarHBondContact O-N 3.13Å; V234-S238 PolarHBondContact O-OG 2.82Å; G235-S238 PolarHBondContact O-N 3.18Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 3.13Å; S238-L241 PolarHBondContact O-N 3.32Å; S238-M242 VanDerWaalsContact O-CB 3.25Å; S238-M242 WeakPolarHBondContact O-CB 3.28Å; S238-M242 WeakPolarHBondContact O-CG 3.39Å; S238-M242 PolarHBondContact O-N 3.2Å
239	M	77.2	Confident	74.2	Confident	126 Å²	126	81.1 Å²	81.1	62%	0.621	39%	0.391	S	S	*	.	H	α-helix	trans	-63.1	-45.3	174.4	-177.9	-170.4	176.1	0	0	111.3	G235 L236 V237 M242 R243	G235-M239 WeakPolarHBondContact O-CB 3.42Å; G235-M239 PolarHBondContact O-N 2.97Å; L236-M239 WeakPolarHBondContact O-CB 3.35Å; L236-M239 PolarHBondContact O-N 3.08Å; V237-M239 VanDerWaalsContact C-N 3.34Å; V237-M239 PolarHBondContact O-N 3.42Å; M239-M242 PolarHBondContact O-N 3.32Å; M239-R243 WeakPolarHBondContact O-CB 3.19Å; M239-R243 PolarHBondContact O-N 2.85Å
240	I	73.3	Confident	73.4	Confident	37 Å²	37	80.4 Å²	80.4	19%	0.19	40%	0.396	C	S	.	.	H	α-helix	trans	-57	-51.8	175.2	-71.4	176.4	0	0	0	109.4	L236 V237 M242 R243 T244 V498 Y501	L236-I240 HydrophobicContact CD2-CD1 3.45Å; L236-I240 VanDerWaalsContact CD2-CD1 3.45Å; L236-I240 HydrophobicContact CD2-CG1 4.12Å; L236-I240 WeakPolarHBondContact O-CG1 3.24Å; L236-I240 PolarHBondContact O-N 3.5Å; V237-I240 PolarHBondContact O-N 3.3Å; I240-M242 PolarHBondContact O-N 3.4Å; I240-R243 PolarHBondContact O-N 3.01Å; I240-T244 PolarHBondContact O-N 2.93Å; I240-T244 PolarHBondContact O-OG1 3.28Å; I240-V498 HydrophobicContact CD1-CG1 4.41Å; I240-V498 HydrophobicContact CD1-CG2 4.37Å; I240-Y501 HydrophobicContact CG2-CD1 3.56Å; I240-Y501 HydrophobicContact CG2-CE1 3.33Å; I240-Y501 HydrophobicContact CG2-CG 4.25Å
241	L	70.6	Confident	72.6	Confident	61 Å²	61	85 Å²	85	32%	0.319	41%	0.412	S	S	.	.	H	α-helix	trans	-60.3	-48.3	-179.8	-74.3	169.9	0	0	0	112.5	V237 S238 R243 T244 L245 F575	V237-L241 HydrophobicContact CG1-CD1 4Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 WeakPolarHBondContact O-CG 3.35Å; V237-L241 PolarHBondContact O-N 2.95Å; S238-L241 PolarHBondContact O-N 3.32Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 3.37Å; L241-T244 PolarHBondContact O-N 2.85Å; L241-L245 WeakPolarHBondContact O-CB 3.25Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 2.83Å; L241-F575 HydrophobicContact CD2-CE2 3.59Å; L241-F575 HydrophobicContact CD2-CZ 4.21Å
242	M	70.7	Confident	71.3	Confident	97 Å²	97	85 Å²	85	48%	0.478	41%	0.407	S	S	.	.	H	α-helix	trans	-66.4	-34.2	179	-73.8	-65.9	-72.6	0	0	112.7	S238 M239 I240 R246	S238-M242 VanDerWaalsContact O-CB 3.25Å; S238-M242 WeakPolarHBondContact O-CB 3.28Å; S238-M242 WeakPolarHBondContact O-CG 3.39Å; S238-M242 PolarHBondContact O-N 3.2Å; M239-M242 PolarHBondContact O-N 3.32Å; I240-M242 PolarHBondContact O-N 3.4Å; M242-R246 WeakPolarHBondContact O-CB 3.42Å; M242-R246 PolarHBondContact O-N 2.98Å
243	R	70.1	Confident	70.3	Confident	177 Å²	177	81.2 Å²	81.2	67%	0.668	40%	0.396	S	S	*	.	H	α-helix	trans	-68.6	-42.2	174.9	-175.4	178.1	-178.8	177.9	1	110.5	M239 I240 L241 K247	M239-R243 WeakPolarHBondContact O-CB 3.19Å; M239-R243 PolarHBondContact O-N 2.85Å; I240-R243 PolarHBondContact O-N 3.01Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 3.37Å; R243-K247 VanDerWaalsContact O-CB 3.23Å; R243-K247 WeakPolarHBondContact O-CB 3.49Å; R243-K247 PolarHBondContact O-N 3.14Å
244	T	62.3	Low	69.4	Low	21 Å²	21	87.5 Å²	87.5	13%	0.129	42%	0.423	C	S	.	.	H	α-helix	trans	-64	-49.1	175.7	-56.2	0	0	0	0	111	I240 L241 R246 K247 D248 W271 Y501	I240-T244 PolarHBondContact O-N 2.93Å; I240-T244 PolarHBondContact O-OG1 3.28Å; L241-T244 PolarHBondContact O-N 2.85Å; T244-R246 PolarHBondContact O-N 3.48Å; T244-K247 PolarHBondContact O-N 2.96Å; T244-D248 VanDerWaalsContact O-CB 3.26Å; T244-D248 WeakPolarHBondContact O-CB 3.33Å; T244-D248 VanDerWaalsContact O-CG 3.24Å; T244-D248 PolarHBondContact O-N 3.13Å; T244-W271 HydrophobicContact CG2-CZ2 4.16Å; T244-Y501 PolarHBondContact OG1-OH 2.9Å
245	L	65	Low	68.2	Low	112 Å²	112	88 Å²	88	59%	0.586	42%	0.422	S	S	*	.	H	α-helix	trans	-60.3	-43.3	177.7	-72.3	171.9	0	0	0	112.4	L241 Y249	L241-L245 WeakPolarHBondContact O-CB 3.25Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 2.83Å; L245-Y249 WeakPolarHBondContact O-CB 3.47Å; L245-Y249 PolarHBondContact O-N 3.42Å
246	R	68.6	Low	67.1	Low	173 Å²	173	94.6 Å²	94.6	65%	0.653	44%	0.442	S	S	*	.	H	α-helix	trans	-67	-42.9	176.4	-85.8	-170.7	-81.7	-152	-3.5	112.9	M242 T244 D248 Y249 A250	M242-R246 WeakPolarHBondContact O-CB 3.42Å; M242-R246 PolarHBondContact O-N 2.98Å; T244-R246 PolarHBondContact O-N 3.48Å; R246-D248 VanDerWaalsContact C-N 3.31Å; R246-Y249 PolarHBondContact O-N 3.29Å; R246-A250 VanDerWaalsContact O-CB 3.3Å; R246-A250 WeakPolarHBondContact O-CB 3.33Å; R246-A250 PolarHBondContact O-N 3.4Å
247	K	64.2	Low	66.2	Low	145 Å²	145	99.5 Å²	99.5	63%	0.63	46%	0.463	S	S	*	.	H	α-helix	trans	-64.6	-39.2	177.9	-172.4	-178.5	177.5	-171.8	0	111.1	R243 T244 R251	R243-K247 VanDerWaalsContact O-CB 3.23Å; R243-K247 WeakPolarHBondContact O-CB 3.49Å; R243-K247 PolarHBondContact O-N 3.14Å; T244-K247 PolarHBondContact O-N 2.96Å; K247-R251 WeakPolarHBondContact O-CB 3.25Å; K247-R251 PolarHBondContact O-N 3.33Å; K247-R251 VanDerWaalsContact O-N 3.09Å
248	D	61.3	Low	65.3	Low	31 Å²	31	102.9 Å²	102.9	17%	0.166	48%	0.479	C	S	.	.	H	α-helix	trans	-67	-48	176	-76.8	-13.8	0	0	0	111.3	T244 R246 A250 R251 Y252 K272	T244-D248 VanDerWaalsContact O-CB 3.26Å; T244-D248 WeakPolarHBondContact O-CB 3.33Å; T244-D248 VanDerWaalsContact O-CG 3.24Å; T244-D248 PolarHBondContact O-N 3.13Å; R246-D248 VanDerWaalsContact C-N 3.31Å; D248-A250 PolarHBondContact O-N 3.44Å; D248-R251 PolarHBondContact O-N 2.97Å; D248-R251 VanDerWaalsContact O-N 3.12Å; D248-Y252 HydrophobicContact CB-CE2 4.44Å; D248-Y252 WeakPolarHBondContact O-CD2 3.48Å; D248-Y252 PolarHBondContact O-N 3.45Å; D248-K272 IonicContact OD1-NZ 2.87Å; D248-K272 PolarHBondContact OD1-NZ 3.05Å; D248-K272 WeakPolarHBondContact OD2-CE 3.24Å; D248-K272 IonicContact OD2-NZ 2.71Å; D248-K272 PolarHBondContact OD2-NZ 2.9Å
249	Y	61.8	Low	64.3	Low	184 Å²	184	106.9 Å²	106.9	72%	0.722	50%	0.496	S	S	*	.	H	α-helix	trans	-60.3	-43.7	178	-168.3	-91.6	0	0	0	112.3	L245 R246 R251 Y252 S253	L245-Y249 WeakPolarHBondContact O-CB 3.47Å; L245-Y249 PolarHBondContact O-N 3.42Å; R246-Y249 PolarHBondContact O-N 3.29Å; Y249-R251 VanDerWaalsContact C-N 3.26Å; Y249-R251 PolarHBondContact O-N 2.85Å; Y249-Y252 PolarHBondContact O-N 3.21Å; Y249-S253 PolarHBondContact O-N 2.94Å; Y249-S253 VanDerWaalsContact O-N 3.12Å; Y249-S253 PolarHBondContact O-OG 3.43Å
250	A	63.4	Low	63.5	Low	51 Å²	51	106.6 Å²	106.6	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-70.4	-20.3	177.5	0	0	0	0	0	113.7	R246 D248 S253	R246-A250 VanDerWaalsContact O-CB 3.3Å; R246-A250 WeakPolarHBondContact O-CB 3.33Å; R246-A250 PolarHBondContact O-N 3.4Å; D248-A250 PolarHBondContact O-N 3.44Å; A250-S253 WeakPolarHBondContact CA-OG 3.34Å; A250-S253 PolarHBondContact O-OG 2.85Å; A250-S253 VanDerWaalsContact O-OG 3.07Å
251	R	63.9	Low	62.5	Low	110 Å²	110	112.4 Å²	112.4	42%	0.415	53%	0.525	S	S	.	.	H	α-helix	trans	-79.6	-45.9	172.7	179.8	-179.1	-92.2	-163.8	-10	110.5	K247 D248 Y249 S253 K254 E255	K247-R251 WeakPolarHBondContact O-CB 3.25Å; K247-R251 PolarHBondContact O-N 3.33Å; K247-R251 VanDerWaalsContact O-N 3.09Å; D248-R251 PolarHBondContact O-N 2.97Å; D248-R251 VanDerWaalsContact O-N 3.12Å; Y249-R251 VanDerWaalsContact C-N 3.26Å; Y249-R251 PolarHBondContact O-N 2.85Å; R251-S253 VanDerWaalsContact C-N 3.3Å; R251-S253 PolarHBondContact O-N 3.36Å; R251-K254 CarbonylContact O-C 3.51Å; R251-K254 WeakPolarHBondContact O-CA 3.48Å; R251-K254 WeakPolarHBondContact O-CB 3.45Å; R251-K254 PolarHBondContact O-N 3.22Å; R251-E255 WeakPolarHBondContact CD-OE1 3.34Å; R251-E255 HydrophobicContact CG-CG 4.41Å; R251-E255 WeakPolarHBondContact CG-OE1 3.4Å; R251-E255 PolarHBondContact O-N 3.4Å
252	Y	59.1	Low	61.7	Low	88 Å²	88	114 Å²	114	35%	0.345	53%	0.534	S	S	.	.	H	α-helix	trans	-59	-40.8	176.1	-75.1	-65	0	0	0	112.5	D248 Y249 K254 E255 E256	D248-Y252 HydrophobicContact CB-CE2 4.44Å; D248-Y252 WeakPolarHBondContact O-CD2 3.48Å; D248-Y252 PolarHBondContact O-N 3.45Å; Y249-Y252 PolarHBondContact O-N 3.21Å; Y252-K254 PolarHBondContact O-N 2.86Å; Y252-E255 PolarHBondContact O-N 3.49Å; Y252-E256 PolarHBondContact O-N 3.38Å
253	S	62.4	Low	60.9	Low	51 Å²	51	117 Å²	117	36%	0.357	54%	0.54	S	S	.	.	H	α-helix	trans	-63.6	-26	175.3	65	0	0	0	0	113.2	Y249 A250 R251 E257	Y249-S253 PolarHBondContact O-N 2.94Å; Y249-S253 VanDerWaalsContact O-N 3.12Å; Y249-S253 PolarHBondContact O-OG 3.43Å; A250-S253 WeakPolarHBondContact CA-OG 3.34Å; A250-S253 PolarHBondContact O-OG 2.85Å; A250-S253 VanDerWaalsContact O-OG 3.07Å; R251-S253 VanDerWaalsContact C-N 3.3Å; R251-S253 PolarHBondContact O-N 3.36Å; S253-E257 WeakPolarHBondContact O-CG 3.26Å
254	K	63.5	Low	60	Low	141 Å²	141	116.2 Å²	116.2	61%	0.613	55%	0.549	S	S	*	.	H	α-helix	trans	-86.6	-33.4	175.8	-81.7	-173.4	171.8	-168.1	0	113	R251 Y252 E256 E257 M258	R251-K254 CarbonylContact O-C 3.51Å; R251-K254 WeakPolarHBondContact O-CA 3.48Å; R251-K254 WeakPolarHBondContact O-CB 3.45Å; R251-K254 PolarHBondContact O-N 3.22Å; Y252-K254 PolarHBondContact O-N 2.86Å; K254-E256 VanDerWaalsContact C-N 3.32Å; K254-E257 PolarHBondContact O-N 3.21Å; K254-E257 VanDerWaalsContact O-N 3.12Å; K254-M258 PolarHBondContact O-N 3.49Å
255	E	58.2	Low	59.2	Low	72 Å²	72	121.5 Å²	121.5	34%	0.336	58%	0.576	S	S	.	*	H	α-helix	trans	-68.6	-30.3	174.9	-81.7	166.8	-170.6	0	0	111.8	R251 Y252 E257 M258	R251-E255 WeakPolarHBondContact CD-OE1 3.34Å; R251-E255 HydrophobicContact CG-CG 4.41Å; R251-E255 WeakPolarHBondContact CG-OE1 3.4Å; R251-E255 PolarHBondContact O-N 3.4Å; Y252-E255 PolarHBondContact O-N 3.49Å; E255-E257 PolarHBondContact O-N 3.36Å; E255-M258 PolarHBondContact O-N 2.89Å
256	E	59.3	Low	58.4	Low	178 Å²	178	118.6 Å²	118.6	83%	0.832	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-18.8	168.6	-78	-179.6	174.2	0	0	113.3	Y252 K254	Y252-E256 PolarHBondContact O-N 3.38Å; K254-E256 VanDerWaalsContact C-N 3.32Å
257	E	60.4	Low	57.6	Low	163 Å²	163	115.4 Å²	115.4	76%	0.762	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-5.1	-179.5	-68.5	177.1	173.6	0	0	113.5	S253 K254 E255	S253-E257 WeakPolarHBondContact O-CG 3.26Å; K254-E257 PolarHBondContact O-N 3.21Å; K254-E257 VanDerWaalsContact O-N 3.12Å; E255-E257 PolarHBondContact O-N 3.36Å
258	M	58.3	Low	57.1	Low	87 Å²	87	113.1 Å²	113.1	43%	0.429	56%	0.561	S	S	.	*	S	Bend	trans	-93.9	137.4	-178.8	-91	170.2	67.6	0	0	112.5	K254 E255 D262	K254-M258 PolarHBondContact O-N 3.49Å; E255-M258 PolarHBondContact O-N 2.89Å; M258-D262 HydrophobicContact CE-CB 3.39Å; M258-D262 WeakPolarHBondContact CE-O 3.35Å
259	D	57.8	Low	57.1	Low	139 Å²	139	120 Å²	120	74%	0.743	59%	0.585	S	S	*	*			trans	-62.7	146.9	175.4	-107.5	-12.4	0	0	0	111.9	M261 D262	D259-M261 PolarHBondContact O-N 3.47Å; D259-D262 PolarHBondContact O-N 3.24Å
260	D	59.4	Low	57.7	Low	121 Å²	121	111.6 Å²	111.6	65%	0.647	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-19.3	-172.2	-80.5	-34.6	0	0	0	115	R263	D260-R263 WeakPolarHBondContact O-CB 3.1Å; D260-R263 IonicContact OD1-NH1 2.73Å; D260-R263 PolarHBondContact OD1-NH1 3Å
261	M	52.3	Low	58.5	Low	158 Å²	158	110.4 Å²	110.4	78%	0.778	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.5	177.3	-91.1	-73.6	-57.6	0	0	114.4	D259 R263	D259-M261 PolarHBondContact O-N 3.47Å; M261-R263 VanDerWaalsContact C-N 3.33Å
262	D	53.9	Low	59.4	Low	94 Å²	94	106.5 Å²	106.5	50%	0.503	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.6	177.2	-73.1	-33.5	0	0	0	112.4	M258 D259	M258-D262 HydrophobicContact CE-CB 3.39Å; M258-D262 WeakPolarHBondContact CE-O 3.35Å; D259-D262 PolarHBondContact O-N 3.24Å
263	R	54.8	Low	60.5	Low	160 Å²	160	105.1 Å²	105.1	60%	0.604	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-73.1	-29.7	-178.5	-151.3	171.2	162.9	-167.2	-3.8	112.6	D260 M261	D260-R263 WeakPolarHBondContact O-CB 3.1Å; D260-R263 IonicContact OD1-NH1 2.73Å; D260-R263 PolarHBondContact OD1-NH1 3Å; M261-R263 VanDerWaalsContact C-N 3.33Å
264	D	49.7	Very low	61.7	Low	161 Å²	161	102.8 Å²	102.8	86%	0.861	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-83.8	-8	-179.7	-111	0.3	0	0	0	114.1
265	L	45.5	Very low	62.8	Low	133 Å²	133	98.5 Å²	98.5	70%	0.696	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-103.7	1.5	179.3	-81.5	144	0	0	0	113.3	D267	L265-D267 PolarHBondContact O-N 2.97Å
266	G	49.3	Very low	64.1	Low	51 Å²	51	95.1 Å²	95.1	53%	0.526	47%	0.473	S	S	.	.			trans	-74.9	82.4	178.1	0	0	0	0	0	111.8	E268	G266-E268 PolarHBondContact O-N 2.68Å
267	D	50.8	Low	65.5	Low	106 Å²	106	86.8 Å²	86.8	57%	0.567	43%	0.434	S	S	*	.			trans	-53.7	106.1	170.9	-77	-35.8	0	0	0	110.3	L265 Y269	L265-D267 PolarHBondContact O-N 2.97Å; D267-Y269 HydrophobicContact CB-CD2 3.52Å; D267-Y269 HydrophobicContact CB-CE2 3.46Å; D267-Y269 VanDerWaalsContact CB-CE2 3.46Å; D267-Y269 PolarHBondContact O-N 3.22Å
268	E	54.6	Low	67	Low	96 Å²	96	79.1 Å²	79.1	45%	0.449	40%	0.398	S	S	.	.			trans	-68.3	73.7	169.7	-71.8	-164.1	144.3	0	0	110.2	G266 Q273	G266-E268 PolarHBondContact O-N 2.68Å; E268-Q273 WeakPolarHBondContact O-CB 3.36Å; E268-Q273 PolarHBondContact O-OE1 3.42Å
269	Y	60.8	Low	68.6	Low	175 Å²	175	75.5 Å²	75.5	69%	0.686	38%	0.38	S	S	*	.			trans	-68.6	136.2	174.9	-87.2	-80.5	0	0	0	112.2	D267	D267-Y269 HydrophobicContact CB-CD2 3.52Å; D267-Y269 HydrophobicContact CB-CE2 3.46Å; D267-Y269 VanDerWaalsContact CB-CE2 3.46Å; D267-Y269 PolarHBondContact O-N 3.22Å
270	G	75	Confident	70.3	Confident	8 Å²	8	70.7 Å²	70.7	8%	0.082	35%	0.351	C	S	.	.	S	Bend	trans	105.2	-151.2	166.8	0	0	0	0	0	115.4	K272 Q273 E507	G270-K272 VanDerWaalsContact C-N 3.28Å; G270-K272 PolarHBondContact O-N 2.52Å; G270-K272 VanDerWaalsContact O-N 3.14Å; G270-Q273 PolarHBondContact O-N 2.8Å; G270-E507 PolarHBondContact N-OE1 3.29Å
271	W	79.8	Confident	71.8	Confident	27 Å²	27	68.6 Å²	68.6	10%	0.102	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-62.6	-25.6	-165.5	69.5	-85.6	0	0	0	115	T244 Q273 V274 Y501 L504 N505 I579 Y580 V583	T244-W271 HydrophobicContact CG2-CZ2 4.16Å; W271-Q273 VanDerWaalsContact C-N 3.33Å; W271-Q273 PolarHBondContact O-N 2.6Å; W271-V274 WeakPolarHBondContact O-CG2 3.36Å; W271-Y501 HydrophobicContact CG-CE2 4.46Å; W271-L504 VanDerWaalsContact CA-O 3.26Å; W271-L504 WeakPolarHBondContact CA-O 3.32Å; W271-L504 HydrophobicContact CB-CB 3.74Å; W271-L504 PolarHBondContact N-O 2.99Å; W271-N505 VanDerWaalsContact CD1-OD1 3.25Å; W271-I579 HydrophobicContact CE3-CD1 3.9Å; W271-I579 HydrophobicContact CE3-CG1 4.47Å; W271-I579 HydrophobicContact CH2-CB 4.12Å; W271-I579 HydrophobicContact CZ3-CB 3.98Å; W271-I579 HydrophobicContact CZ3-CD1 3.86Å; W271-I579 HydrophobicContact CZ3-CG1 3.95Å; W271-Y580 AromaticContact CE3-CE1 3.98Å; W271-Y580 HydrophobicContact CE3-CE1 3.98Å; W271-Y580 HydrophobicContact CE3-CE2 4.32Å; W271-Y580 AromaticContact CE3-CZ 3.77Å; W271-Y580 HydrophobicContact CZ3-CD1 4.37Å; W271-Y580 HydrophobicContact CZ3-CE1 4.1Å; W271-Y580 PolarHBondContact O-OH 3.5Å; W271-V583 HydrophobicContact CH2-CG2 3.75Å; W271-V583 HydrophobicContact CZ3-CG2 3.73Å
272	K	81.8	Confident	73.7	Confident	27 Å²	27	61.4 Å²	61.4	12%	0.117	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-69.1	-31.6	179.8	-67.7	-178	178.5	176.9	0	113.1	D248 G270 V274 H275	D248-K272 IonicContact OD1-NZ 2.87Å; D248-K272 PolarHBondContact OD1-NZ 3.05Å; D248-K272 WeakPolarHBondContact OD2-CE 3.24Å; D248-K272 IonicContact OD2-NZ 2.71Å; D248-K272 PolarHBondContact OD2-NZ 2.9Å; G270-K272 VanDerWaalsContact C-N 3.28Å; G270-K272 PolarHBondContact O-N 2.52Å; G270-K272 VanDerWaalsContact O-N 3.14Å; K272-V274 PolarHBondContact O-N 3.03Å; K272-H275 WeakPolarHBondContact O-CB 3.25Å; K272-H275 PolarHBondContact O-N 2.97Å; K272-H275 VanDerWaalsContact O-N 3.14Å; K272-H275 PolarHBondContact O-ND1 3.15Å; K272-H275 VanDerWaalsContact O-ND1 3.09Å
273	Q	82.7	Confident	75.5	Confident	60 Å²	60	60.4 Å²	60.4	28%	0.28	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-66	-24.2	-176.2	-153.6	173.3	19.5	0	0	113	E268 G270 W271 H275 R432 E507	E268-Q273 WeakPolarHBondContact O-CB 3.36Å; E268-Q273 PolarHBondContact O-OE1 3.42Å; G270-Q273 PolarHBondContact O-N 2.8Å; W271-Q273 VanDerWaalsContact C-N 3.33Å; W271-Q273 PolarHBondContact O-N 2.6Å; Q273-H275 VanDerWaalsContact C-N 3.31Å; Q273-H275 PolarHBondContact O-N 3.13Å; Q273-R432 VanDerWaalsContact OE1-CZ 3.25Å; Q273-E507 PolarHBondContact OE1-OE1 3.31Å; Q273-E507 PolarHBondContact OE1-OE2 3.42Å; Q273-E507 VanDerWaalsContact OE1-OE2 3.11Å
274	V	87.6	Confident	77.4	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.012	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-88.8	9.4	179.7	-65.3	0	0	0	0	113.5	W271 K272 G276 D277 V278 L504 E507 Y580	W271-V274 WeakPolarHBondContact O-CG2 3.36Å; K272-V274 PolarHBondContact O-N 3.03Å; V274-G276 PolarHBondContact O-N 3.28Å; V274-D277 PolarHBondContact O-N 3.3Å; V274-V278 HydrophobicContact CB-CG2 3.97Å; V274-V278 HydrophobicContact CG2-CG2 3.59Å; V274-V278 WeakPolarHBondContact O-CG2 3.23Å; V274-V278 PolarHBondContact O-N 2.71Å; V274-L504 HydrophobicContact CG2-CD2 4.17Å; V274-E507 HydrophobicContact CG1-CB 4.14Å; V274-E507 WeakPolarHBondContact CG1-O 3.49Å; V274-Y580 WeakPolarHBondContact CG2-OH 3.49Å
275	H	86.3	Confident	79.5	Confident	51 Å²	51	53.6 Å²	53.6	24%	0.236	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-36	-178.7	70.6	-88.3	0	0	0	113.7	K272 Q273 D277 C425 Y580 I585	K272-H275 WeakPolarHBondContact O-CB 3.25Å; K272-H275 PolarHBondContact O-N 2.97Å; K272-H275 VanDerWaalsContact O-N 3.14Å; K272-H275 PolarHBondContact O-ND1 3.15Å; K272-H275 VanDerWaalsContact O-ND1 3.09Å; Q273-H275 VanDerWaalsContact C-N 3.31Å; Q273-H275 PolarHBondContact O-N 3.13Å; H275-D277 VanDerWaalsContact C-N 3.34Å; H275-C425 WeakPolarHBondContact O-CB 3.4Å; H275-Y580 HydrophobicContact CB-CD1 3.78Å; H275-Y580 HydrophobicContact CB-CE1 3.79Å; H275-I585 HydrophobicContact CB-CD1 4.03Å; H275-I585 VanDerWaalsContact CD2-CD1 3.4Å; H275-I585 WeakPolarHBondContact CD2-CD1 3.36Å
276	G	85.4	Confident	81.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.01	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.6	178.4	0	0	0	0	0	115	V274 R426 V427 N428	V274-G276 PolarHBondContact O-N 3.28Å; G276-R426 WeakPolarHBondContact CA-O 3.33Å; G276-V427 CarbonylContact O-C 3.58Å; G276-V427 VanDerWaalsContact O-CA 3.3Å; G276-V427 WeakPolarHBondContact O-CA 3.45Å; G276-N428 PolarHBondContact O-N 3.26Å
277	D	90.1	Very high	84.1	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-16.1	-174.5	-70.1	-34	0	0	0	114.1	V274 H275 F279 R280 R432 Y509	V274-D277 PolarHBondContact O-N 3.3Å; H275-D277 VanDerWaalsContact C-N 3.34Å; D277-F279 VanDerWaalsContact C-N 3.3Å; D277-F279 PolarHBondContact O-N 3.36Å; D277-R280 WeakPolarHBondContact O-CB 3.44Å; D277-R280 VanDerWaalsContact O-CG 3.28Å; D277-R280 WeakPolarHBondContact O-CG 3.47Å; D277-R280 PolarHBondContact O-N 2.84Å; D277-R280 IonicContact OD1-CZ 3.13Å; D277-R280 IonicContact OD1-NE 3.59Å; D277-R280 PolarHBondContact OD1-NE 3.16Å; D277-R280 IonicContact OD1-NH2 3.89Å; D277-R280 PolarHBondContact OD1-NH2 3.44Å; D277-R432 WeakPolarHBondContact OD2-CB 3.24Å; D277-R432 PolarHBondContact OD2-N 2.99Å; D277-R432 VanDerWaalsContact OD2-N 3.1Å; D277-Y509 HydrophobicContact CB-CD1 3.73Å; D277-Y509 HydrophobicContact CB-CD2 4.08Å; D277-Y509 HydrophobicContact CB-CE1 4.21Å; D277-Y509 HydrophobicContact CB-CG 3.66Å
278	V	91.1	Very high	86.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32	-176.3	166.5	0	0	0	0	114.3	V274 L504 W511 V576 Y580	V274-V278 HydrophobicContact CB-CG2 3.97Å; V274-V278 HydrophobicContact CG2-CG2 3.59Å; V274-V278 WeakPolarHBondContact O-CG2 3.23Å; V274-V278 PolarHBondContact O-N 2.71Å; V278-L504 HydrophobicContact CG2-CD2 4.11Å; V278-W511 PolarHBondContact O-NE1 2.94Å; V278-V576 HydrophobicContact CG1-CG1 3.36Å; V278-Y580 HydrophobicContact CB-CE2 4.14Å; V278-Y580 HydrophobicContact CG1-CD2 3.91Å; V278-Y580 HydrophobicContact CG1-CE2 3.59Å; V278-Y580 HydrophobicContact CG2-CE1 4.11Å; V278-Y580 HydrophobicContact CG2-CE2 3.79Å; V278-Y580 VanDerWaalsContact CG2-CZ 3.45Å; V278-Y580 WeakPolarHBondContact CG2-OH 3.25Å
279	F	92.5	Very high	88.4	Confident	11 Å²	11	40.9 Å²	40.9	5%	0.048	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	13.2	-176.5	-64.8	-67.5	0	0	0	113.8	D277 F423 P424 C425 V427 V576 R577 Y580	D277-F279 VanDerWaalsContact C-N 3.3Å; D277-F279 PolarHBondContact O-N 3.36Å; F279-F423 HydrophobicContact CB-CB 4.02Å; F279-F423 HydrophobicContact CB-CD1 3.55Å; F279-F423 HydrophobicContact CB-CD2 4.33Å; F279-F423 HydrophobicContact CB-CE1 4.04Å; F279-F423 HydrophobicContact CB-CG 3.71Å; F279-F423 AromaticContact CD1-CD1 3.76Å; F279-F423 HydrophobicContact CD1-CD1 3.76Å; F279-F423 HydrophobicContact CD1-CE1 4.41Å; F279-F423 HydrophobicContact CD1-CG 4.49Å; F279-F423 HydrophobicContact CD2-CB 4.31Å; F279-F423 HydrophobicContact CG-CB 4.04Å; F279-F423 AromaticContact CG-CD1 3.81Å; F279-F423 HydrophobicContact CG-CD1 3.81Å; F279-F423 HydrophobicContact CG-CG 4.12Å; F279-P424 HydrophobicContact CE1-CG 4.42Å; F279-P424 HydrophobicContact CE2-CB 4.29Å; F279-P424 HydrophobicContact CE2-CG 4.08Å; F279-P424 HydrophobicContact CZ-CB 4.42Å; F279-P424 HydrophobicContact CZ-CG 3.76Å; F279-C425 HydrophobicContact CD2-CB 4.36Å; F279-C425 HydrophobicContact CE2-CB 4.37Å; F279-V427 HydrophobicContact CB-CG2 3.87Å; F279-V576 HydrophobicContact CE1-CG1 4.07Å; F279-V576 HydrophobicContact CZ-CG1 4.16Å; F279-R577 HydrophobicContact CE1-CG 3.84Å; F279-R577 HydrophobicContact CZ-CG 4.41Å; F279-Y580 HydrophobicContact CE2-CD2 4.34Å; F279-Y580 HydrophobicContact CE2-CG 4.14Å; F279-Y580 HydrophobicContact CZ-CD2 4.18Å; F279-Y580 HydrophobicContact CZ-CG 4.31Å
280	R	92.1	Very high	90.1	Very high	39 Å²	39	32.6 Å²	32.6	15%	0.147	17%	0.173	C	C	.	.	S	Bend	trans	-60.1	152.7	174.1	-74.5	178.3	-178.6	-102.3	-4	111.8	D277 V427 N428 A429 V430 P431 Q512	D277-R280 WeakPolarHBondContact O-CB 3.44Å; D277-R280 VanDerWaalsContact O-CG 3.28Å; D277-R280 WeakPolarHBondContact O-CG 3.47Å; D277-R280 PolarHBondContact O-N 2.84Å; D277-R280 IonicContact OD1-CZ 3.13Å; D277-R280 IonicContact OD1-NE 3.59Å; D277-R280 PolarHBondContact OD1-NE 3.16Å; D277-R280 IonicContact OD1-NH2 3.89Å; D277-R280 PolarHBondContact OD1-NH2 3.44Å; R280-V427 HydrophobicContact CG-CG1 3.62Å; R280-N428 VanDerWaalsContact CZ-O 3.28Å; R280-N428 PolarHBondContact NH2-O 2.99Å; R280-A429 PolarHBondContact NH1-O 2.92Å; R280-V430 PolarHBondContact NH2-O 3.47Å; R280-P431 VanDerWaalsContact CZ-CA 3.49Å; R280-P431 VanDerWaalsContact NH2-N 3.13Å; R280-Q512 PolarHBondContact O-NE2 3.37Å; R280-Q512 PolarHBondContact O-OE1 3.1Å
281	P	91.6	Very high	91.2	Very high	76 Å²	76	33.3 Å²	33.3	49%	0.494	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-54.9	143.8	168.5	-25.1	35.1	0	0	0	111.5	Q347	P281-Q347 HydrophobicContact CB-CB 4.17Å; P281-Q347 WeakPolarHBondContact CG-O 3.37Å
282	S	92.9	Very high	92.1	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.049	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-66.8	154.7	175.4	56.8	0	0	0	0	111.1	H284 P285 F288 Q347 Q512	S282-H284 PolarHBondContact O-N 3Å; S282-P285 WeakPolarHBondContact O-CD 3.34Å; S282-F288 VanDerWaalsContact OG-CD1 3.32Å; S282-F288 WeakPolarHBondContact OG-CD1 3.13Å; S282-Q347 PolarHBondContact OG-NE2 3.49Å; S282-Q347 PolarHBondContact OG-OE1 2.98Å; S282-Q512 VanDerWaalsContact N-OE1 3.07Å
283	S	91.2	Very high	92.8	Very high	73 Å²	73	30.9 Å²	30.9	51%	0.51	17%	0.165	S	C	.	.	S	Bend	trans	-56.3	133.1	163.7	-53.4	0	0	0	0	109.1	W513	S283-W513 PolarHBondContact O-NE1 3.46Å
284	H	94.1	Very high	93.6	Very high	140 Å²	140	28 Å²	28	65%	0.648	15%	0.151	S	C	*	.	S	Bend	trans	51.5	62.2	-177	-54	-74	0	0	0	114.2	S282 L286 I287 F288	S282-H284 PolarHBondContact O-N 3Å; H284-L286 PolarHBondContact O-N 3.3Å; H284-I287 PolarHBondContact O-N 3.44Å; H284-F288 PolarHBondContact O-N 2.9Å
285	P	94.4	Very high	94.1	Very high	38 Å²	38	27.9 Å²	27.9	25%	0.247	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-25.7	-172.6	25.6	-34.5	0	0	0	113.3	S282 S289 Y344 Q347	S282-P285 WeakPolarHBondContact O-CD 3.34Å; P285-S289 VanDerWaalsContact O-CB 3.26Å; P285-S289 WeakPolarHBondContact O-CB 3.37Å; P285-S289 PolarHBondContact O-N 3.26Å; P285-S289 PolarHBondContact O-OG 2.91Å; P285-Y344 HydrophobicContact CB-CD2 4.36Å; P285-Y344 HydrophobicContact CB-CE2 4.34Å; P285-Y344 HydrophobicContact CG-CE2 4.39Å; P285-Q347 HydrophobicContact CB-CB 4.24Å
286	L	95.9	Very high	94.6	Very high	35 Å²	35	26.2 Å²	26.2	18%	0.183	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-46.2	179.1	-178	153.9	0	0	0	112.7	H284 S289 S290 Y344 K354 Q355 I358	H284-L286 PolarHBondContact O-N 3.3Å; L286-S289 PolarHBondContact O-OG 3.44Å; L286-S290 WeakPolarHBondContact O-CB 3.05Å; L286-S290 PolarHBondContact O-N 2.98Å; L286-S290 PolarHBondContact O-OG 3.32Å; L286-Y344 HydrophobicContact CB-CE2 3.84Å; L286-K354 HydrophobicContact CD1-CB 3.97Å; L286-Q355 HydrophobicContact CG-CB 4.27Å; L286-I358 HydrophobicContact CD1-CD1 4.43Å; L286-I358 HydrophobicContact CD2-CB 4.46Å; L286-I358 HydrophobicContact CD2-CD1 3.21Å; L286-I358 HydrophobicContact CD2-CG1 4.38Å; L286-I358 HydrophobicContact CD2-CG2 4.45Å; L286-I358 HydrophobicContact CG-CD1 4.34Å
287	I	96.1	Very high	95.2	Very high	85 Å²	85	26.2 Å²	26.2	44%	0.436	14%	0.144	S	C	.	.	H	α-helix	trans	-75.6	-43.8	-179.1	-62.5	174.5	0	0	0	108.7	H284 S289 S290 L291 W513	H284-I287 PolarHBondContact O-N 3.44Å; I287-S289 PolarHBondContact O-N 3.41Å; I287-S290 PolarHBondContact O-N 3.06Å; I287-L291 HydrophobicContact CG2-CD1 3.89Å; I287-L291 HydrophobicContact CG2-CG 4.28Å; I287-L291 WeakPolarHBondContact O-CG 3.48Å; I287-L291 PolarHBondContact O-N 2.97Å; I287-W513 HydrophobicContact CG2-CH2 4.48Å
288	F	97.3	Very high	95.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.5	-53	179.3	-172.3	-106.6	0	0	0	112.1	S282 H284 S290 L291 I292 L343 Q512 W513 F516 Y569	S282-F288 VanDerWaalsContact OG-CD1 3.32Å; S282-F288 WeakPolarHBondContact OG-CD1 3.13Å; H284-F288 PolarHBondContact O-N 2.9Å; F288-S290 VanDerWaalsContact C-N 3.3Å; F288-S290 PolarHBondContact O-N 3.45Å; F288-L291 PolarHBondContact O-N 3.49Å; F288-I292 HydrophobicContact CD1-CG1 4.45Å; F288-I292 HydrophobicContact CE1-CG1 4.14Å; F288-I292 HydrophobicContact CZ-CD1 4.27Å; F288-I292 HydrophobicContact CZ-CG1 4.25Å; F288-I292 WeakPolarHBondContact O-CG1 3.21Å; F288-I292 PolarHBondContact O-N 2.92Å; F288-L343 HydrophobicContact CD1-CD2 4.17Å; F288-L343 HydrophobicContact CE1-CD2 4.04Å; F288-Q512 HydrophobicContact CE1-CB 4.25Å; F288-Q512 WeakPolarHBondContact CE2-O 3.49Å; F288-Q512 HydrophobicContact CZ-CB 3.91Å; F288-Q512 WeakPolarHBondContact CZ-O 3.16Å; F288-W513 HydrophobicContact CB-CH2 4.12Å; F288-W513 HydrophobicContact CB-CZ2 3.62Å; F288-W513 AromaticContact CD2-CD2 3.68Å; F288-W513 HydrophobicContact CD2-CD2 3.68Å; F288-W513 AromaticContact CD2-CE2 3.56Å; F288-W513 AromaticContact CD2-CE3 3.85Å; F288-W513 HydrophobicContact CD2-CE3 3.85Å; F288-W513 HydrophobicContact CD2-CG 4.34Å; F288-W513 AromaticContact CD2-CH2 3.87Å; F288-W513 HydrophobicContact CD2-CH2 3.87Å; F288-W513 AromaticContact CD2-CZ2 3.69Å; F288-W513 HydrophobicContact CD2-CZ2 3.69Å; F288-W513 AromaticContact CD2-CZ3 3.93Å; F288-W513 HydrophobicContact CD2-CZ3 3.93Å; F288-W513 HydrophobicContact CE2-CD2 4.1Å; F288-W513 HydrophobicContact CE2-CE3 4.22Å; F288-W513 HydrophobicContact CE2-CG 4.46Å; F288-W513 HydrophobicContact CG-CZ2 4.1Å; F288-F516 HydrophobicContact CE2-CB 3.93Å; F288-F516 HydrophobicContact CE2-CG 4.33Å; F288-Y569 HydrophobicContact CE1-CD2 4.2Å; F288-Y569 HydrophobicContact CE1-CE1 4.25Å; F288-Y569 AromaticContact CE1-CE2 3.73Å; F288-Y569 HydrophobicContact CE1-CE2 3.73Å; F288-Y569 AromaticContact CE1-CZ 3.75Å; F288-Y569 AromaticContact CZ-CD2 3.59Å; F288-Y569 HydrophobicContact CZ-CD2 3.59Å; F288-Y569 HydrophobicContact CZ-CE1 4.49Å; F288-Y569 AromaticContact CZ-CE2 3.55Å; F288-Y569 HydrophobicContact CZ-CE2 3.55Å; F288-Y569 HydrophobicContact CZ-CG 4.09Å
289	S	96.9	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-36.3	178.2	54.8	0	0	0	0	113.3	P285 L286 I287 I292 G293 G340 Q355	P285-S289 VanDerWaalsContact O-CB 3.26Å; P285-S289 WeakPolarHBondContact O-CB 3.37Å; P285-S289 PolarHBondContact O-N 3.26Å; P285-S289 PolarHBondContact O-OG 2.91Å; L286-S289 PolarHBondContact O-OG 3.44Å; I287-S289 PolarHBondContact O-N 3.41Å; S289-I292 PolarHBondContact O-N 2.91Å; S289-G293 PolarHBondContact O-N 3.03Å; S289-G340 WeakPolarHBondContact CB-O 3.35Å; S289-G340 VanDerWaalsContact O-CA 3.23Å; S289-G340 WeakPolarHBondContact O-CA 3.3Å; S289-Q355 WeakPolarHBondContact OG-CG 3.43Å
290	S	97.5	Very high	96.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-39.9	176.3	-54.8	0	0	0	0	112.2	L286 I287 F288 G293 S294 Q355	L286-S290 WeakPolarHBondContact O-CB 3.05Å; L286-S290 PolarHBondContact O-N 2.98Å; L286-S290 PolarHBondContact O-OG 3.32Å; I287-S290 PolarHBondContact O-N 3.06Å; F288-S290 VanDerWaalsContact C-N 3.3Å; F288-S290 PolarHBondContact O-N 3.45Å; S290-G293 PolarHBondContact O-N 3.47Å; S290-S294 WeakPolarHBondContact O-CB 3.41Å; S290-S294 PolarHBondContact O-N 3.02Å; S290-S294 PolarHBondContact O-OG 3.46Å; S290-Q355 PolarHBondContact OG-NE2 2.79Å
291	L	97.9	Very high	96.4	Very high	24 Å²	24	29.5 Å²	29.5	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-43.2	173.6	-73.2	168.5	0	0	0	112.1	I287 F288 S294 G295 M362 W513 F516 I562	I287-L291 HydrophobicContact CG2-CD1 3.89Å; I287-L291 HydrophobicContact CG2-CG 4.28Å; I287-L291 WeakPolarHBondContact O-CG 3.48Å; I287-L291 PolarHBondContact O-N 2.97Å; F288-L291 PolarHBondContact O-N 3.49Å; L291-S294 PolarHBondContact O-N 3.48Å; L291-G295 PolarHBondContact O-N 3Å; L291-M362 HydrophobicContact CD2-CE 3.74Å; L291-M362 HydrophobicContact CD2-SD 3.75Å; L291-M362 HydrophobicContact CG-CE 4.41Å; L291-M362 HydrophobicContact CG-SD 4.31Å; L291-W513 HydrophobicContact CD1-CH2 3.93Å; L291-W513 HydrophobicContact CD1-CZ3 4Å; L291-F516 HydrophobicContact CB-CE2 4.12Å; L291-F516 HydrophobicContact CB-CZ 3.88Å; L291-F516 HydrophobicContact CD1-CE1 4.18Å; L291-F516 HydrophobicContact CD1-CZ 4.2Å; L291-F516 HydrophobicContact CD2-CZ 4.46Å; L291-F516 HydrophobicContact CG-CZ 4.42Å; L291-I562 HydrophobicContact CD2-CD1 4.03Å; L291-I562 HydrophobicContact CD2-CG1 4.06Å; L291-I562 WeakPolarHBondContact O-CG2 3.3Å
292	I	98.1	Very high	96.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-46.4	176	-62.1	-57.6	0	0	0	110.9	F288 S289 G295 C296 L343 F516 A566 Y569	F288-I292 HydrophobicContact CD1-CG1 4.45Å; F288-I292 HydrophobicContact CE1-CG1 4.14Å; F288-I292 HydrophobicContact CZ-CD1 4.27Å; F288-I292 HydrophobicContact CZ-CG1 4.25Å; F288-I292 WeakPolarHBondContact O-CG1 3.21Å; F288-I292 PolarHBondContact O-N 2.92Å; S289-I292 PolarHBondContact O-N 2.91Å; I292-G295 PolarHBondContact O-N 3.41Å; I292-C296 PolarHBondContact O-N 2.97Å; I292-C296 PolarHBondContact O-SG 2.97Å; I292-C296 VanDerWaalsContact O-SG 3.4Å; I292-L343 HydrophobicContact CB-CD2 4Å; I292-L343 HydrophobicContact CG1-CD2 3.81Å; I292-L343 HydrophobicContact CG2-CD2 4.09Å; I292-F516 HydrophobicContact CD1-CD2 3.52Å; I292-F516 HydrophobicContact CD1-CE2 3.95Å; I292-A566 HydrophobicContact CD1-CB 4.35Å; I292-Y569 HydrophobicContact CD1-CD1 3.5Å; I292-Y569 HydrophobicContact CD1-CE1 4.35Å; I292-Y569 HydrophobicContact CD1-CG 3.67Å; I292-Y569 HydrophobicContact CG1-CD1 3.91Å; I292-Y569 HydrophobicContact CG1-CE1 4.29Å; I292-Y569 HydrophobicContact CG1-CG 4.44Å; I292-Y569 HydrophobicContact CG2-CD1 4.23Å
293	G	97.7	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-50.6	176	0	0	0	0	0	112.3	S289 S290 G295 C296 Q297 N336	S289-G293 PolarHBondContact O-N 3.03Å; S290-G293 PolarHBondContact O-N 3.47Å; G293-G295 VanDerWaalsContact C-N 3.33Å; G293-G295 PolarHBondContact O-N 3.34Å; G293-C296 PolarHBondContact O-N 3.21Å; G293-Q297 PolarHBondContact O-N 3.46Å; G293-N336 WeakPolarHBondContact O-CA 3.26Å
294	S	98	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-37.4	177.5	-65.9	0	0	0	0	112.8	S290 L291 Q297 I298 N336 M362	S290-S294 WeakPolarHBondContact O-CB 3.41Å; S290-S294 PolarHBondContact O-N 3.02Å; S290-S294 PolarHBondContact O-OG 3.46Å; L291-S294 PolarHBondContact O-N 3.48Å; S294-Q297 PolarHBondContact O-N 3.41Å; S294-I298 VanDerWaalsContact O-CG1 3.25Å; S294-I298 WeakPolarHBondContact O-CG1 3.47Å; S294-I298 PolarHBondContact O-N 3.33Å; S294-N336 PolarHBondContact N-OD1 3.12Å; S294-N336 PolarHBondContact OG-ND2 2.92Å; S294-M362 WeakPolarHBondContact OG-CE 3.41Å
295	G	97.9	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.9	-39.3	177	0	0	0	0	0	113.3	L291 I292 G293 Q297 I298 F299 I562	L291-G295 PolarHBondContact O-N 3Å; I292-G295 PolarHBondContact O-N 3.41Å; G293-G295 VanDerWaalsContact C-N 3.33Å; G293-G295 PolarHBondContact O-N 3.34Å; G295-Q297 VanDerWaalsContact C-N 3.32Å; G295-Q297 PolarHBondContact O-N 3.05Å; G295-I298 PolarHBondContact O-N 3.38Å; G295-F299 WeakPolarHBondContact O-CB 3.36Å; G295-F299 PolarHBondContact O-N 3.29Å; G295-I562 WeakPolarHBondContact CA-O 3.37Å
296	C	98.2	Very high	96.7	Very high	16 Å²	16	23.3 Å²	23.3	11%	0.108	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-37.8	171.5	-69.1	0	0	0	0	112.2	I292 G293 S300 V335 F339	I292-C296 PolarHBondContact O-N 2.97Å; I292-C296 PolarHBondContact O-SG 2.97Å; I292-C296 VanDerWaalsContact O-SG 3.4Å; G293-C296 PolarHBondContact O-N 3.21Å; C296-S300 PolarHBondContact O-N 2.86Å; C296-S300 PolarHBondContact O-OG 2.83Å; C296-V335 HydrophobicContact CB-CG1 4.2Å; C296-F339 HydrophobicContact CB-CB 4.24Å; C296-F339 HydrophobicContact CB-CD2 3.7Å; C296-F339 HydrophobicContact CB-CE2 4.26Å; C296-F339 HydrophobicContact CB-CG 4Å
297	Q	98.1	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-50.7	174.2	-173.7	-169.8	7	0	0	111.2	G293 S294 G295 F299 S300 V301 Y329 N336	G293-Q297 PolarHBondContact O-N 3.46Å; S294-Q297 PolarHBondContact O-N 3.41Å; G295-Q297 VanDerWaalsContact C-N 3.32Å; G295-Q297 PolarHBondContact O-N 3.05Å; Q297-F299 VanDerWaalsContact C-N 3.27Å; Q297-F299 PolarHBondContact O-N 3.2Å; Q297-S300 WeakPolarHBondContact O-CA 3.37Å; Q297-S300 WeakPolarHBondContact O-CB 3.39Å; Q297-S300 PolarHBondContact O-N 2.85Å; Q297-V301 HydrophobicContact CG-CG2 4.42Å; Q297-V301 WeakPolarHBondContact O-CG2 3.39Å; Q297-V301 PolarHBondContact O-N 3.27Å; Q297-Y329 HydrophobicContact CG-CE2 4.39Å; Q297-Y329 PolarHBondContact NE2-O 2.85Å; Q297-Y329 PolarHBondContact OE1-OH 2.9Å; Q297-N336 HydrophobicContact CB-CB 3.88Å; Q297-N336 HydrophobicContact CG-CB 4.27Å; Q297-N336 PolarHBondContact OE1-ND2 2.85Å
298	I	97.8	Very high	96.2	Very high	14 Å²	14	22.4 Å²	22.4	7%	0.072	12%	0.12	C	C	.	.	H	α-helix	trans	-58.3	-41.9	178.3	-67.8	164.5	0	0	0	110.6	S294 G295 S300 V301 S302 I363 A559 I562 M563	S294-I298 VanDerWaalsContact O-CG1 3.25Å; S294-I298 WeakPolarHBondContact O-CG1 3.47Å; S294-I298 PolarHBondContact O-N 3.33Å; G295-I298 PolarHBondContact O-N 3.38Å; I298-S300 VanDerWaalsContact C-N 3.35Å; I298-S300 PolarHBondContact O-N 3.39Å; I298-V301 PolarHBondContact O-N 3.11Å; I298-S302 WeakPolarHBondContact O-CB 3.48Å; I298-S302 PolarHBondContact O-N 3.33Å; I298-S302 PolarHBondContact O-OG 2.83Å; I298-I363 HydrophobicContact CD1-CD1 3.99Å; I298-I363 HydrophobicContact CD1-CG1 4.21Å; I298-A559 HydrophobicContact CD1-CB 4.25Å; I298-I562 HydrophobicContact CD1-CB 4.34Å; I298-I562 HydrophobicContact CD1-CG2 4.17Å; I298-M563 HydrophobicContact CB-CB 4.4Å; I298-M563 HydrophobicContact CG2-CB 3.9Å; I298-M563 HydrophobicContact CG2-CG 4.26Å; I298-M563 HydrophobicContact CG2-SD 4.22Å
299	F	97.9	Very high	95.8	Very high	65 Å²	65	22.5 Å²	22.5	29%	0.285	12%	0.12	S	C	.	.	H	α-helix	trans	-58.2	-46.6	173.7	178.5	-103.1	0	0	0	112.1	G295 Q297 V301 S302 F303 L485 C489 M563 V567	G295-F299 WeakPolarHBondContact O-CB 3.36Å; G295-F299 PolarHBondContact O-N 3.29Å; Q297-F299 VanDerWaalsContact C-N 3.27Å; Q297-F299 PolarHBondContact O-N 3.2Å; F299-V301 VanDerWaalsContact C-N 3.34Å; F299-V301 PolarHBondContact O-N 3.32Å; F299-S302 PolarHBondContact O-N 3.16Å; F299-F303 WeakPolarHBondContact O-CB 3.42Å; F299-F303 PolarHBondContact O-N 3.18Å; F299-L485 HydrophobicContact CE2-CD1 4.33Å; F299-L485 HydrophobicContact CE2-CD2 4.29Å; F299-L485 HydrophobicContact CE2-CG 4.29Å; F299-C489 WeakPolarHBondContact CE2-SG 3.36Å; F299-M563 HydrophobicContact CB-CG 3.86Å; F299-M563 HydrophobicContact CB-SD 4.31Å; F299-M563 HydrophobicContact CD2-CG 4.3Å; F299-M563 HydrophobicContact CD2-SD 4.19Å; F299-V567 HydrophobicContact CD2-CG2 4.1Å; F299-V567 HydrophobicContact CG-CG2 4.37Å
300	S	97.6	Very high	95.2	Very high	28 Å²	28	27.1 Å²	27.1	20%	0.196	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-40.4	178.8	-55.5	0	0	0	0	111.9	C296 Q297 I298 I304	C296-S300 PolarHBondContact O-N 2.86Å; C296-S300 PolarHBondContact O-OG 2.83Å; Q297-S300 WeakPolarHBondContact O-CA 3.37Å; Q297-S300 WeakPolarHBondContact O-CB 3.39Å; Q297-S300 PolarHBondContact O-N 2.85Å; I298-S300 VanDerWaalsContact C-N 3.35Å; I298-S300 PolarHBondContact O-N 3.39Å; S300-I304 WeakPolarHBondContact O-CB 3.35Å; S300-I304 WeakPolarHBondContact O-CD1 3.3Å; S300-I304 VanDerWaalsContact O-CG1 3.24Å; S300-I304 WeakPolarHBondContact O-CG1 3.39Å; S300-I304 PolarHBondContact O-N 3.31Å
301	V	97	Very high	94.7	Very high	17 Å²	17	32.7 Å²	32.7	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-50.9	176	174.4	0	0	0	0	110.6	Q297 I298 F299 F303 I304 V305 V328 Y329 T332	Q297-V301 HydrophobicContact CG-CG2 4.42Å; Q297-V301 WeakPolarHBondContact O-CG2 3.39Å; Q297-V301 PolarHBondContact O-N 3.27Å; I298-V301 PolarHBondContact O-N 3.11Å; F299-V301 VanDerWaalsContact C-N 3.34Å; F299-V301 PolarHBondContact O-N 3.32Å; V301-F303 VanDerWaalsContact C-N 3.31Å; V301-F303 PolarHBondContact O-N 3.38Å; V301-I304 PolarHBondContact O-N 3.49Å; V301-V305 HydrophobicContact CG1-CG2 4.05Å; V301-V305 WeakPolarHBondContact O-CB 3.24Å; V301-V305 VanDerWaalsContact O-CG2 3.25Å; V301-V305 WeakPolarHBondContact O-CG2 3.45Å; V301-V305 PolarHBondContact O-N 3.41Å; V301-V328 HydrophobicContact CB-CG1 4.41Å; V301-V328 HydrophobicContact CG1-CG1 4.28Å; V301-V328 HydrophobicContact CG2-CG1 4.28Å; V301-Y329 HydrophobicContact CG2-CD2 3.98Å; V301-T332 HydrophobicContact CG2-CG2 4.44Å; V301-T332 WeakPolarHBondContact CG2-OG1 3.44Å
302	S	95.1	Very high	93.8	Very high	37 Å²	37	36.7 Å²	36.7	26%	0.259	20%	0.195	S	C	.	.	H	α-helix	trans	-56.2	-46.6	177.6	-62.2	0	0	0	0	111.4	I298 F299 I306	I298-S302 WeakPolarHBondContact O-CB 3.48Å; I298-S302 PolarHBondContact O-N 3.33Å; I298-S302 PolarHBondContact O-OG 2.83Å; F299-S302 PolarHBondContact O-N 3.16Å; S302-I306 WeakPolarHBondContact O-CB 3.34Å; S302-I306 VanDerWaalsContact O-CD1 3.26Å; S302-I306 WeakPolarHBondContact O-CD1 3.28Å; S302-I306 WeakPolarHBondContact O-CG1 3.48Å; S302-I306 PolarHBondContact O-N 3.01Å
303	F	95.6	Very high	92.8	Very high	83 Å²	83	41 Å²	41	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-62	-49	178.8	-179.7	-96.7	0	0	0	112.6	F299 V301 I307 M482 L485	F299-F303 WeakPolarHBondContact O-CB 3.42Å; F299-F303 PolarHBondContact O-N 3.18Å; V301-F303 VanDerWaalsContact C-N 3.31Å; V301-F303 PolarHBondContact O-N 3.38Å; F303-I307 HydrophobicContact CD1-CD1 3.74Å; F303-I307 HydrophobicContact CD2-CD1 4.49Å; F303-I307 HydrophobicContact CE1-CD1 3.28Å; F303-I307 HydrophobicContact CE2-CD1 4.14Å; F303-I307 HydrophobicContact CG-CD1 4.33Å; F303-I307 HydrophobicContact CZ-CD1 3.51Å; F303-I307 WeakPolarHBondContact O-CG1 3.06Å; F303-I307 PolarHBondContact O-N 3.11Å; F303-I307 VanDerWaalsContact O-N 3.12Å; F303-M482 HydrophobicContact CD2-CE 3.66Å; F303-M482 HydrophobicContact CD2-SD 4.19Å; F303-M482 HydrophobicContact CE2-CE 3.19Å; F303-M482 HydrophobicContact CE2-SD 4.31Å; F303-M482 HydrophobicContact CZ-CE 4.04Å; F303-L485 HydrophobicContact CB-CD2 4.41Å
304	I	95.1	Very high	91.9	Very high	61 Å²	61	41.4 Å²	41.4	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-67.7	-45.3	-178.8	-67.2	166.8	0	0	0	110.8	S300 V301 I306 I307 V308 V328 T332	S300-I304 WeakPolarHBondContact O-CB 3.35Å; S300-I304 WeakPolarHBondContact O-CD1 3.3Å; S300-I304 VanDerWaalsContact O-CG1 3.24Å; S300-I304 WeakPolarHBondContact O-CG1 3.39Å; S300-I304 PolarHBondContact O-N 3.31Å; V301-I304 PolarHBondContact O-N 3.49Å; I304-I306 VanDerWaalsContact C-N 3.31Å; I304-I306 PolarHBondContact O-N 3.12Å; I304-I307 PolarHBondContact O-N 3.35Å; I304-I307 VanDerWaalsContact O-N 3.13Å; I304-V308 HydrophobicContact CG2-CG2 4.2Å; I304-V308 WeakPolarHBondContact O-CG2 3.3Å; I304-V308 PolarHBondContact O-N 3.01Å; I304-V328 HydrophobicContact CB-CG1 3.81Å; I304-V328 HydrophobicContact CD1-CG1 4.25Å; I304-V328 HydrophobicContact CG2-CG1 3.68Å; I304-V328 HydrophobicContact CG2-CG2 3.92Å; I304-T332 HydrophobicContact CD1-CG2 3.72Å
305	V	92.8	Very high	90.9	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-39.1	179.7	171.9	0	0	0	0	111.1	V301 I307 V308 A309 A325 V328	V301-V305 HydrophobicContact CG1-CG2 4.05Å; V301-V305 WeakPolarHBondContact O-CB 3.24Å; V301-V305 VanDerWaalsContact O-CG2 3.25Å; V301-V305 WeakPolarHBondContact O-CG2 3.45Å; V301-V305 PolarHBondContact O-N 3.41Å; V305-I307 VanDerWaalsContact C-N 3.35Å; V305-V308 PolarHBondContact O-N 3.01Å; V305-A309 VanDerWaalsContact O-CB 3.22Å; V305-A309 WeakPolarHBondContact O-CB 3.1Å; V305-A309 PolarHBondContact O-N 3.34Å; V305-A325 HydrophobicContact CG2-CB 4.28Å; V305-V328 HydrophobicContact CG2-CB 4.12Å; V305-V328 HydrophobicContact CG2-CG1 4.18Å; V305-V328 HydrophobicContact CG2-CG2 4.26Å
306	I	92.1	Very high	89.9	Confident	10 Å²	10	45.3 Å²	45.3	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-44	174	-71.5	164.5	0	0	0	110.9	S302 I304 A309 M310 M481 M482 L485	S302-I306 WeakPolarHBondContact O-CB 3.34Å; S302-I306 VanDerWaalsContact O-CD1 3.26Å; S302-I306 WeakPolarHBondContact O-CD1 3.28Å; S302-I306 WeakPolarHBondContact O-CG1 3.48Å; S302-I306 PolarHBondContact O-N 3.01Å; I304-I306 VanDerWaalsContact C-N 3.31Å; I304-I306 PolarHBondContact O-N 3.12Å; I306-A309 PolarHBondContact O-N 3.29Å; I306-M310 HydrophobicContact CG2-SD 4.19Å; I306-M310 VanDerWaalsContact O-CG 3.28Å; I306-M310 WeakPolarHBondContact O-CG 3.31Å; I306-M310 PolarHBondContact O-N 2.79Å; I306-M481 HydrophobicContact CD1-CE 4.18Å; I306-M481 HydrophobicContact CD1-CG 4.07Å; I306-M481 HydrophobicContact CG1-CE 3.51Å; I306-M481 HydrophobicContact CG1-CG 4.35Å; I306-M482 HydrophobicContact CG2-CB 3.69Å; I306-M482 HydrophobicContact CG2-CG 4.3Å; I306-M482 HydrophobicContact CG2-SD 3.95Å; I306-L485 HydrophobicContact CD1-CB 4.45Å; I306-L485 HydrophobicContact CD1-CD2 3.84Å
307	I	91.1	Very high	88.7	Confident	65 Å²	65	49.9 Å²	49.9	33%	0.333	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-45.4	178.8	-70.7	170.4	0	0	0	111.1	F303 I304 V305 A309 M310 V311	F303-I307 HydrophobicContact CD1-CD1 3.74Å; F303-I307 HydrophobicContact CD2-CD1 4.49Å; F303-I307 HydrophobicContact CE1-CD1 3.28Å; F303-I307 HydrophobicContact CE2-CD1 4.14Å; F303-I307 HydrophobicContact CG-CD1 4.33Å; F303-I307 HydrophobicContact CZ-CD1 3.51Å; F303-I307 WeakPolarHBondContact O-CG1 3.06Å; F303-I307 PolarHBondContact O-N 3.11Å; F303-I307 VanDerWaalsContact O-N 3.12Å; I304-I307 PolarHBondContact O-N 3.35Å; I304-I307 VanDerWaalsContact O-N 3.13Å; V305-I307 VanDerWaalsContact C-N 3.35Å; I307-A309 VanDerWaalsContact C-N 3.33Å; I307-A309 PolarHBondContact O-N 3.38Å; I307-M310 WeakPolarHBondContact O-CB 3.23Å; I307-M310 PolarHBondContact O-N 2.91Å; I307-M310 VanDerWaalsContact O-N 3.11Å; I307-V311 WeakPolarHBondContact O-CG2 3.22Å; I307-V311 PolarHBondContact O-N 3.27Å; I307-V311 VanDerWaalsContact O-N 3.1Å
308	V	90.6	Very high	87.5	Confident	35 Å²	35	51.5 Å²	51.5	21%	0.212	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-44.1	177.2	179.9	0	0	0	0	109.9	I304 V305 M310 V311 E312 L314 T324	I304-V308 HydrophobicContact CG2-CG2 4.2Å; I304-V308 WeakPolarHBondContact O-CG2 3.3Å; I304-V308 PolarHBondContact O-N 3.01Å; V305-V308 PolarHBondContact O-N 3.01Å; V308-M310 PolarHBondContact O-N 3.06Å; V308-M310 VanDerWaalsContact O-N 3.17Å; V308-V311 PolarHBondContact O-N 2.95Å; V308-V311 VanDerWaalsContact O-N 3.09Å; V308-E312 HydrophobicContact CG1-CB 4.47Å; V308-E312 HydrophobicContact CG1-CG 4.48Å; V308-E312 WeakPolarHBondContact CG1-OE2 3.39Å; V308-E312 WeakPolarHBondContact O-CB 3.4Å; V308-E312 PolarHBondContact O-N 3.5Å; V308-L314 HydrophobicContact CG1-CD1 4.01Å; V308-L314 HydrophobicContact CG1-CD2 4.45Å; V308-L314 HydrophobicContact CG1-CG 4.49Å; V308-T324 HydrophobicContact CB-CG2 4.49Å; V308-T324 HydrophobicContact CG1-CG2 4.09Å
309	A	88.3	Confident	86.3	Confident	2 Å²	2	51.1 Å²	51.1	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-17.5	175.6	0	0	0	0	0	114.7	V305 I306 I307 E312 L314 Y478	V305-A309 VanDerWaalsContact O-CB 3.22Å; V305-A309 WeakPolarHBondContact O-CB 3.1Å; V305-A309 PolarHBondContact O-N 3.34Å; I306-A309 PolarHBondContact O-N 3.29Å; I307-A309 VanDerWaalsContact C-N 3.33Å; I307-A309 PolarHBondContact O-N 3.38Å; A309-E312 CarbonylContact C-O 3.6Å; A309-E312 VanDerWaalsContact O-O 3.11Å; A309-L314 HydrophobicContact CB-CD1 3.95Å; A309-Y478 HydrophobicContact CB-CD1 3.85Å; A309-Y478 HydrophobicContact CB-CD2 4.04Å; A309-Y478 HydrophobicContact CB-CE1 3.95Å; A309-Y478 HydrophobicContact CB-CE2 4.13Å; A309-Y478 HydrophobicContact CB-CG 3.88Å; A309-Y478 WeakPolarHBondContact O-CD2 3.39Å
310	M	85.9	Confident	85.5	Confident	98 Å²	98	48.7 Å²	48.7	48%	0.483	26%	0.256	S	S	.	.	H	α-helix	trans	-87.3	-28.7	173.3	-75.4	177	64.2	0	0	112.8	I306 I307 V308 M482	I306-M310 HydrophobicContact CG2-SD 4.19Å; I306-M310 VanDerWaalsContact O-CG 3.28Å; I306-M310 WeakPolarHBondContact O-CG 3.31Å; I306-M310 PolarHBondContact O-N 2.79Å; I307-M310 WeakPolarHBondContact O-CB 3.23Å; I307-M310 PolarHBondContact O-N 2.91Å; I307-M310 VanDerWaalsContact O-N 3.11Å; V308-M310 PolarHBondContact O-N 3.06Å; V308-M310 VanDerWaalsContact O-N 3.17Å; M310-M482 HydrophobicContact SD-CB 4.02Å; M310-M482 HydrophobicContact SD-CG 4.43Å
311	V	85.4	Confident	84.9	Confident	116 Å²	116	50.5 Å²	50.5	70%	0.703	26%	0.262	S	S	*	.	H	α-helix	trans	-90.5	-40.8	-177.9	174.1	0	0	0	0	110.7	I307 V308	I307-V311 WeakPolarHBondContact O-CG2 3.22Å; I307-V311 PolarHBondContact O-N 3.27Å; I307-V311 VanDerWaalsContact O-N 3.1Å; V308-V311 PolarHBondContact O-N 2.95Å; V308-V311 VanDerWaalsContact O-N 3.09Å
312	E	79.8	Confident	84.4	Confident	109 Å²	109	52.7 Å²	52.7	51%	0.509	27%	0.273	S	S	.	.	S	Bend	trans	-107.3	129.3	177.2	-64	177.8	179	0	0	107.9	V308 A309 L314	V308-E312 HydrophobicContact CG1-CB 4.47Å; V308-E312 HydrophobicContact CG1-CG 4.48Å; V308-E312 WeakPolarHBondContact CG1-OE2 3.39Å; V308-E312 WeakPolarHBondContact O-CB 3.4Å; V308-E312 PolarHBondContact O-N 3.5Å; A309-E312 CarbonylContact C-O 3.6Å; A309-E312 VanDerWaalsContact O-O 3.11Å; E312-L314 HydrophobicContact CB-CD2 4.04Å; E312-L314 HydrophobicContact CB-CG 4.15Å; E312-L314 PolarHBondContact O-N 3.3Å
313	D	76.7	Confident	83.9	Confident	92 Å²	92	53.3 Å²	53.3	49%	0.492	28%	0.277	S	S	.	.			trans	-72.1	64.8	174.5	-71.4	-59.1	0	0	0	110.5	Y315 T316	D313-Y315 HydrophobicContact CB-CD1 4.23Å; D313-Y315 HydrophobicContact CB-CE1 3.61Å; D313-Y315 PolarHBondContact O-N 3.46Å; D313-Y315 WeakPolarHBondContact OD1-CE1 3.16Å; D313-Y315 PolarHBondContact OD1-OH 3.03Å; D313-T316 HydrophobicContact CB-CG2 3.91Å; D313-T316 WeakPolarHBondContact O-CB 3.4Å; D313-T316 WeakPolarHBondContact O-CG2 3.49Å; D313-T316 PolarHBondContact O-N 3.04Å; D313-T316 PolarHBondContact O-OG1 3.33Å
314	L	78.4	Confident	83.6	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.042	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-9.1	-174.3	-68.5	-179.8	0	0	0	114.4	V308 A309 E312 T316 S320 T324	V308-L314 HydrophobicContact CG1-CD1 4.01Å; V308-L314 HydrophobicContact CG1-CD2 4.45Å; V308-L314 HydrophobicContact CG1-CG 4.49Å; A309-L314 HydrophobicContact CB-CD1 3.95Å; E312-L314 HydrophobicContact CB-CD2 4.04Å; E312-L314 HydrophobicContact CB-CG 4.15Å; E312-L314 PolarHBondContact O-N 3.3Å; L314-T316 VanDerWaalsContact C-N 3.33Å; L314-S320 WeakPolarHBondContact CD2-OG 3.28Å; L314-T324 HydrophobicContact CD1-CG2 4.29Å
315	Y	78.1	Confident	83.5	Confident	42 Å²	42	49 Å²	49	17%	0.165	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.3	174.9	63.4	-91	0	0	0	113.5	F205 L209 D313 I474 Y478	F205-Y315 HydrophobicContact CB-CD2 4.44Å; F205-Y315 HydrophobicContact CB-CE2 3.93Å; L209-Y315 HydrophobicContact CD1-CE2 4.3Å; L209-Y315 HydrophobicContact CD2-CD2 4.3Å; L209-Y315 HydrophobicContact CD2-CE2 4.21Å; D313-Y315 HydrophobicContact CB-CD1 4.23Å; D313-Y315 HydrophobicContact CB-CE1 3.61Å; D313-Y315 PolarHBondContact O-N 3.46Å; D313-Y315 WeakPolarHBondContact OD1-CE1 3.16Å; D313-Y315 PolarHBondContact OD1-OH 3.03Å; Y315-I474 HydrophobicContact CG-CG2 4.47Å; Y315-Y478 HydrophobicContact CD1-CE2 4.12Å
316	T	75.7	Confident	83.4	Confident	40 Å²	40	50.8 Å²	50.8	25%	0.245	27%	0.272	C	S	.	.	S	Bend	trans	-77.6	-37.6	-179.9	56.3	0	0	0	0	112.2	F205 D313 L314	F205-T316 HydrophobicContact CB-CG2 4.43Å; F205-T316 HydrophobicContact CD2-CG2 3.78Å; F205-T316 HydrophobicContact CE2-CG2 4.28Å; F205-T316 WeakPolarHBondContact CE2-O 3.39Å; F205-T316 HydrophobicContact CG-CG2 4.14Å; F205-T316 WeakPolarHBondContact CZ-O 3.32Å; D313-T316 HydrophobicContact CB-CG2 3.91Å; D313-T316 WeakPolarHBondContact O-CB 3.4Å; D313-T316 WeakPolarHBondContact O-CG2 3.49Å; D313-T316 PolarHBondContact O-N 3.04Å; D313-T316 PolarHBondContact O-OG1 3.33Å; L314-T316 VanDerWaalsContact C-N 3.33Å
317	E	74.6	Confident	83.4	Confident	113 Å²	113	57.4 Å²	57.4	53%	0.528	30%	0.301	S	S	.	.	S	Bend	trans	-96	141.9	179.3	-71.5	179.9	-176.8	0	0	112.7	G319	E317-G319 PolarHBondContact O-N 3.02Å
318	R	71.3	Confident	83.5	Confident	33 Å²	33	54.9 Å²	54.9	13%	0.125	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	132.8	179	-60.2	-174.7	-57.4	-126	-13.7	110.6	E79 Y130 D133 S320	E79-R318 HydrophobicContact CG-CB 3.98Å; E79-R318 IonicContact OE1-CZ 3.15Å; E79-R318 IonicContact OE1-NE 3.02Å; E79-R318 PolarHBondContact OE1-NE 3.28Å; E79-R318 IonicContact OE1-NH2 2.68Å; E79-R318 PolarHBondContact OE1-NH2 2.91Å; Y130-R318 HydrophobicContact CE1-CG 4.47Å; D133-R318 IonicContact OD1-CZ 3.82Å; D133-R318 IonicContact OD1-NE 3.78Å; D133-R318 IonicContact OD1-NH1 2.88Å; D133-R318 PolarHBondContact OD1-NH1 3.17Å; D133-R318 VanDerWaalsContact OD1-NH1 3.12Å; D133-R318 IonicContact OD1-NH2 3.46Å; D133-R318 PolarHBondContact OD1-NH2 2.88Å; D133-R318 VanDerWaalsContact OD1-NH2 3.13Å; R318-S320 PolarHBondContact O-N 3.44Å
319	G	74.4	Confident	83.8	Confident	6 Å²	6	54.8 Å²	54.8	6%	0.062	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	-5.4	175.9	0	0	0	0	0	116.4	E317 M321 L322 S323	E317-G319 PolarHBondContact O-N 3.02Å; G319-M321 PolarHBondContact O-N 2.85Å; G319-L322 PolarHBondContact O-N 3.27Å; G319-S323 PolarHBondContact O-N 2.85Å; G319-S323 PolarHBondContact O-OG 3.05Å
320	S	81.3	Confident	84.1	Confident	14 Å²	14	55 Å²	55	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-38.4	-172.8	-171.5	0	0	0	0	113.3	L314 R318 L322 S323 T324	L314-S320 WeakPolarHBondContact CD2-OG 3.28Å; R318-S320 PolarHBondContact O-N 3.44Å; S320-L322 VanDerWaalsContact C-N 3.33Å; S320-L322 PolarHBondContact O-N 3.08Å; S320-S323 WeakPolarHBondContact CA-OG 3.26Å; S320-S323 PolarHBondContact O-OG 3.39Å; S320-T324 WeakPolarHBondContact O-CB 3.31Å; S320-T324 PolarHBondContact O-N 2.85Å; S320-T324 PolarHBondContact O-OG1 3.14Å
321	M	84.4	Confident	84.5	Confident	66 Å²	66	53 Å²	53	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-39	174.4	-170.3	-179.3	-175.6	0	0	112.6	G319 A325 Y478	G319-M321 PolarHBondContact O-N 2.85Å; M321-A325 WeakPolarHBondContact O-CB 3.41Å; M321-A325 PolarHBondContact O-N 3.25Å; M321-Y478 HydrophobicContact CE-CE1 4.42Å
322	L	85.7	Confident	85.1	Confident	63 Å²	63	48 Å²	48	33%	0.33	26%	0.256	S	S	.	.	H	α-helix	trans	-74.4	-44.8	-179	-179.7	64.7	0	0	0	111.3	L81 Q82 G319 S320 A325 I326	L81-L322 HydrophobicContact CB-CD2 3.73Å; L81-L322 HydrophobicContact CD1-CD2 4.29Å; Q82-L322 HydrophobicContact CG-CD2 3.99Å; G319-L322 PolarHBondContact O-N 3.27Å; S320-L322 VanDerWaalsContact C-N 3.33Å; S320-L322 PolarHBondContact O-N 3.08Å; L322-A325 PolarHBondContact O-N 3.07Å; L322-I326 HydrophobicContact CD1-CD1 4.35Å; L322-I326 HydrophobicContact CG-CD1 4.12Å; L322-I326 WeakPolarHBondContact O-CG1 3.34Å; L322-I326 PolarHBondContact O-N 2.65Å
323	S	86	Confident	85.9	Confident	50 Å²	50	42.9 Å²	42.9	35%	0.35	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-43.9	177.4	59.5	0	0	0	0	111.1	G319 S320 A325 I326 F327	G319-S323 PolarHBondContact O-N 2.85Å; G319-S323 PolarHBondContact O-OG 3.05Å; S320-S323 WeakPolarHBondContact CA-OG 3.26Å; S320-S323 PolarHBondContact O-OG 3.39Å; S323-A325 PolarHBondContact O-N 3.47Å; S323-I326 PolarHBondContact O-N 3.2Å; S323-F327 WeakPolarHBondContact O-CB 3.45Å; S323-F327 PolarHBondContact O-N 2.94Å
324	T	88.9	Confident	86.9	Confident	24 Å²	24	40.2 Å²	40.2	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-46	174.1	-62.1	0	0	0	0	111.2	V308 L314 S320 I326 F327 V328	V308-T324 HydrophobicContact CB-CG2 4.49Å; V308-T324 HydrophobicContact CG1-CG2 4.09Å; L314-T324 HydrophobicContact CD1-CG2 4.29Å; S320-T324 WeakPolarHBondContact O-CB 3.31Å; S320-T324 PolarHBondContact O-N 2.85Å; S320-T324 PolarHBondContact O-OG1 3.14Å; T324-I326 PolarHBondContact O-N 3.42Å; T324-F327 PolarHBondContact O-N 3.16Å; T324-V328 HydrophobicContact CG2-CG2 4.16Å; T324-V328 WeakPolarHBondContact O-CB 3.22Å; T324-V328 VanDerWaalsContact O-CG2 3.24Å; T324-V328 WeakPolarHBondContact O-CG2 3.46Å; T324-V328 PolarHBondContact O-N 2.87Å
325	A	91.4	Very high	87.9	Confident	30 Å²	30	41.6 Å²	41.6	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-41.5	177.5	0	0	0	0	0	112.7	V305 M321 L322 S323 Y329	V305-A325 HydrophobicContact CG2-CB 4.28Å; M321-A325 WeakPolarHBondContact O-CB 3.41Å; M321-A325 PolarHBondContact O-N 3.25Å; L322-A325 PolarHBondContact O-N 3.07Å; S323-A325 PolarHBondContact O-N 3.47Å; A325-Y329 WeakPolarHBondContact O-CB 3.41Å; A325-Y329 PolarHBondContact O-N 3.38Å
326	I	91.3	Very high	88.8	Confident	50 Å²	50	39.7 Å²	39.7	26%	0.256	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-45.3	176.7	-67.7	166.6	0	0	0	110.7	L81 L322 S323 T324 Y329 A330 I398	L81-I326 HydrophobicContact CD1-CD1 3.48Å; L81-I326 VanDerWaalsContact CD1-CD1 3.48Å; L322-I326 HydrophobicContact CD1-CD1 4.35Å; L322-I326 HydrophobicContact CG-CD1 4.12Å; L322-I326 WeakPolarHBondContact O-CG1 3.34Å; L322-I326 PolarHBondContact O-N 2.65Å; S323-I326 PolarHBondContact O-N 3.2Å; T324-I326 PolarHBondContact O-N 3.42Å; I326-Y329 PolarHBondContact O-N 3.09Å; I326-A330 PolarHBondContact O-N 2.93Å; I326-I398 HydrophobicContact CG2-CD1 4.39Å
327	F	91.6	Very high	89.8	Confident	149 Å²	149	37.8 Å²	37.8	65%	0.654	21%	0.209	S	C	*	.	H	α-helix	trans	-62.7	-49.4	178.6	178.4	-99	0	0	0	111.8	S323 T324 Y329 A330 A331	S323-F327 WeakPolarHBondContact O-CB 3.45Å; S323-F327 PolarHBondContact O-N 2.94Å; T324-F327 PolarHBondContact O-N 3.16Å; F327-Y329 VanDerWaalsContact C-N 3.31Å; F327-Y329 PolarHBondContact O-N 3.45Å; F327-A330 PolarHBondContact O-N 3.03Å; F327-A331 WeakPolarHBondContact O-CB 3.34Å; F327-A331 PolarHBondContact O-N 3.42Å
328	V	95	Very high	90.9	Very high	12 Å²	12	35.7 Å²	35.7	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-39.3	177.4	173.7	0	0	0	0	110.8	V301 I304 V305 T324 A330 A331 T332	V301-V328 HydrophobicContact CB-CG1 4.41Å; V301-V328 HydrophobicContact CG1-CG1 4.28Å; V301-V328 HydrophobicContact CG2-CG1 4.28Å; I304-V328 HydrophobicContact CB-CG1 3.81Å; I304-V328 HydrophobicContact CD1-CG1 4.25Å; I304-V328 HydrophobicContact CG2-CG1 3.68Å; I304-V328 HydrophobicContact CG2-CG2 3.92Å; V305-V328 HydrophobicContact CG2-CB 4.12Å; V305-V328 HydrophobicContact CG2-CG1 4.18Å; V305-V328 HydrophobicContact CG2-CG2 4.26Å; T324-V328 HydrophobicContact CG2-CG2 4.16Å; T324-V328 WeakPolarHBondContact O-CB 3.22Å; T324-V328 VanDerWaalsContact O-CG2 3.24Å; T324-V328 WeakPolarHBondContact O-CG2 3.46Å; T324-V328 PolarHBondContact O-N 2.87Å; V328-A330 PolarHBondContact O-N 3.42Å; V328-A331 PolarHBondContact O-N 3.21Å; V328-T332 HydrophobicContact CG1-CG2 4.13Å; V328-T332 WeakPolarHBondContact O-CB 3.24Å; V328-T332 VanDerWaalsContact O-CG2 3.28Å; V328-T332 WeakPolarHBondContact O-CG2 3.09Å; V328-T332 PolarHBondContact O-N 3.45Å; V328-T332 PolarHBondContact O-OG1 3.37Å
329	Y	95.8	Very high	92.2	Very high	33 Å²	33	37.4 Å²	37.4	13%	0.129	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-45.2	174.7	-175.5	-88.8	0	0	0	112	Q297 V301 A325 I326 F327 T332 S333 I363 P364 I403	Q297-Y329 HydrophobicContact CG-CE2 4.39Å; Q297-Y329 PolarHBondContact NE2-O 2.85Å; Q297-Y329 PolarHBondContact OE1-OH 2.9Å; V301-Y329 HydrophobicContact CG2-CD2 3.98Å; A325-Y329 WeakPolarHBondContact O-CB 3.41Å; A325-Y329 PolarHBondContact O-N 3.38Å; I326-Y329 PolarHBondContact O-N 3.09Å; F327-Y329 VanDerWaalsContact C-N 3.31Å; F327-Y329 PolarHBondContact O-N 3.45Å; Y329-T332 PolarHBondContact O-OG1 2.94Å; Y329-S333 PolarHBondContact O-N 3.45Å; Y329-I363 HydrophobicContact CE2-CG2 4.32Å; Y329-P364 HydrophobicContact CE1-CG 4.11Å; Y329-I403 HydrophobicContact CD1-CD1 3.95Å; Y329-I403 HydrophobicContact CE1-CD1 3.89Å
330	A	94.7	Very high	93.3	Very high	8 Å²	8	37.1 Å²	37.1	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-46.1	176.2	0	0	0	0	0	111.9	I326 F327 V328 T332 S333 I398 V402 I403 L406	I326-A330 PolarHBondContact O-N 2.93Å; F327-A330 PolarHBondContact O-N 3.03Å; V328-A330 PolarHBondContact O-N 3.42Å; A330-T332 VanDerWaalsContact C-N 3.33Å; A330-T332 PolarHBondContact O-N 3.4Å; A330-S333 WeakPolarHBondContact O-CB 3.34Å; A330-S333 PolarHBondContact O-N 3.07Å; A330-I398 HydrophobicContact CB-CG2 4.41Å; A330-V402 HydrophobicContact CB-CG1 3.97Å; A330-I403 HydrophobicContact CB-CG1 4.11Å; A330-L406 WeakPolarHBondContact O-CD1 3.42Å
331	A	95.2	Very high	94	Very high	55 Å²	55	36.5 Å²	36.5	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-34.7	-179.8	0	0	0	0	0	113.2	F327 V328 S333 P334	F327-A331 WeakPolarHBondContact O-CB 3.34Å; F327-A331 PolarHBondContact O-N 3.42Å; V328-A331 PolarHBondContact O-N 3.21Å; A331-S333 VanDerWaalsContact C-N 3.31Å; A331-P334 VanDerWaalsContact O-CD 3.23Å; A331-P334 WeakPolarHBondContact O-CD 3.48Å
332	T	96.9	Very high	94.6	Very high	12 Å²	12	33.7 Å²	33.7	7%	0.074	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	0.9	178.2	56.6	0	0	0	0	113.7	V301 I304 V328 Y329 A330 P334 V335	V301-T332 HydrophobicContact CG2-CG2 4.44Å; V301-T332 WeakPolarHBondContact CG2-OG1 3.44Å; I304-T332 HydrophobicContact CD1-CG2 3.72Å; V328-T332 HydrophobicContact CG1-CG2 4.13Å; V328-T332 WeakPolarHBondContact O-CB 3.24Å; V328-T332 VanDerWaalsContact O-CG2 3.28Å; V328-T332 WeakPolarHBondContact O-CG2 3.09Å; V328-T332 PolarHBondContact O-N 3.45Å; V328-T332 PolarHBondContact O-OG1 3.37Å; Y329-T332 PolarHBondContact O-OG1 2.94Å; A330-T332 VanDerWaalsContact C-N 3.33Å; A330-T332 PolarHBondContact O-N 3.4Å; T332-P334 VanDerWaalsContact C-N 3.28Å; T332-P334 VanDerWaalsContact O-N 3.16Å; T332-V335 WeakPolarHBondContact O-CB 3.38Å; T332-V335 WeakPolarHBondContact O-CG2 3.32Å; T332-V335 PolarHBondContact O-N 2.86Å
333	S	97.3	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-50	-36.4	176.5	-173.6	0	0	0	0	115.2	Y329 A330 A331 V335 N336 G337 I403 N407	Y329-S333 PolarHBondContact O-N 3.45Å; A330-S333 WeakPolarHBondContact O-CB 3.34Å; A330-S333 PolarHBondContact O-N 3.07Å; A331-S333 VanDerWaalsContact C-N 3.31Å; S333-V335 PolarHBondContact O-N 3.26Å; S333-N336 WeakPolarHBondContact O-CB 3.46Å; S333-N336 PolarHBondContact O-N 2.84Å; S333-N336 VanDerWaalsContact O-N 3.16Å; S333-G337 PolarHBondContact O-N 3.31Å; S333-I403 PolarHBondContact OG-O 3.35Å; S333-N407 PolarHBondContact O-OD1 3.21Å; S333-N407 WeakPolarHBondContact OG-CB 3.2Å; S333-N407 PolarHBondContact OG-N 3.42Å
334	P	98.1	Very high	95.6	Very high	36 Å²	36	29.8 Å²	29.8	23%	0.234	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-26.6	174.8	-23.4	35.2	0	0	0	114.1	A331 T332 G337 Y338 L406 G410	A331-P334 VanDerWaalsContact O-CD 3.23Å; A331-P334 WeakPolarHBondContact O-CD 3.48Å; T332-P334 VanDerWaalsContact C-N 3.28Å; T332-P334 VanDerWaalsContact O-N 3.16Å; P334-G337 PolarHBondContact O-N 2.91Å; P334-Y338 VanDerWaalsContact O-CB 3.28Å; P334-Y338 WeakPolarHBondContact O-CB 3.45Å; P334-Y338 PolarHBondContact O-N 3.45Å; P334-L406 HydrophobicContact CG-CB 4.01Å; P334-L406 HydrophobicContact CG-CD2 4.35Å; P334-G410 VanDerWaalsContact O-CA 3.3Å; P334-G410 WeakPolarHBondContact O-CA 3.36Å
335	V	98	Very high	95.9	Very high	38 Å²	38	29.6 Å²	29.6	23%	0.23	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-44.9	176.9	179.1	0	0	0	0	110.3	C296 T332 S333 G337 Y338 F339	C296-V335 HydrophobicContact CB-CG1 4.2Å; T332-V335 WeakPolarHBondContact O-CB 3.38Å; T332-V335 WeakPolarHBondContact O-CG2 3.32Å; T332-V335 PolarHBondContact O-N 2.86Å; S333-V335 PolarHBondContact O-N 3.26Å; V335-G337 PolarHBondContact O-N 3.48Å; V335-Y338 PolarHBondContact O-N 3.44Å; V335-F339 HydrophobicContact CG1-CD2 3.67Å; V335-F339 HydrophobicContact CG1-CE2 3.78Å; V335-F339 WeakPolarHBondContact O-CD2 3.34Å; V335-F339 PolarHBondContact O-N 3.44Å
336	N	97.6	Very high	96	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-51.5	176.3	-173.6	-10.2	0	0	0	110.8	G293 S294 Q297 S333 Y338 G340 G359	G293-N336 WeakPolarHBondContact O-CA 3.26Å; S294-N336 PolarHBondContact N-OD1 3.12Å; S294-N336 PolarHBondContact OG-ND2 2.92Å; Q297-N336 HydrophobicContact CB-CB 3.88Å; Q297-N336 HydrophobicContact CG-CB 4.27Å; Q297-N336 PolarHBondContact OE1-ND2 2.85Å; S333-N336 WeakPolarHBondContact O-CB 3.46Å; S333-N336 PolarHBondContact O-N 2.84Å; S333-N336 VanDerWaalsContact O-N 3.16Å; N336-Y338 VanDerWaalsContact C-N 3.33Å; N336-Y338 PolarHBondContact O-N 2.8Å; N336-G340 PolarHBondContact O-N 3.3Å; N336-G359 PolarHBondContact ND2-O 3.4Å
337	G	97.1	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-43.4	179.3	0	0	0	0	0	112	S333 P334 V335 G341 N407 G410 T411	S333-G337 PolarHBondContact O-N 3.31Å; P334-G337 PolarHBondContact O-N 2.91Å; V335-G337 PolarHBondContact O-N 3.48Å; G337-G341 VanDerWaalsContact O-CA 3.32Å; G337-G341 WeakPolarHBondContact O-CA 3.38Å; G337-G341 PolarHBondContact O-N 2.79Å; G337-N407 WeakPolarHBondContact CA-OD1 3.29Å; G337-N407 PolarHBondContact N-OD1 3.13Å; G337-G410 CarbonylContact C-O 3.36Å; G337-T411 VanDerWaalsContact CA-OG1 3.31Å; G337-T411 WeakPolarHBondContact CA-OG1 2.99Å; G337-T411 VanDerWaalsContact O-CA 3.23Å; G337-T411 WeakPolarHBondContact O-CA 3.38Å; G337-T411 PolarHBondContact O-OG1 3.45Å
338	Y	98	Very high	96.1	Very high	70 Å²	70	25.7 Å²	25.7	28%	0.275	15%	0.152	S	C	.	.	H	α-helix	trans	-63	-56.3	-178.5	-178.3	-90.4	0	0	0	112	P334 V335 N336 S342 G410 L413 L417 S418	P334-Y338 VanDerWaalsContact O-CB 3.28Å; P334-Y338 WeakPolarHBondContact O-CB 3.45Å; P334-Y338 PolarHBondContact O-N 3.45Å; V335-Y338 PolarHBondContact O-N 3.44Å; N336-Y338 VanDerWaalsContact C-N 3.33Å; N336-Y338 PolarHBondContact O-N 2.8Å; Y338-S342 WeakPolarHBondContact O-CB 3.44Å; Y338-S342 PolarHBondContact O-N 2.94Å; Y338-G410 WeakPolarHBondContact CA-O 3.43Å; Y338-G410 PolarHBondContact N-O 3.36Å; Y338-L413 HydrophobicContact CD2-CB 4.25Å; Y338-L417 HydrophobicContact CE2-CB 4.5Å; Y338-L417 HydrophobicContact CE2-CD1 4.32Å; Y338-S418 PolarHBondContact OH-OG 3.27Å
339	F	97.7	Very high	95.9	Very high	69 Å²	69	25.7 Å²	25.7	30%	0.303	16%	0.155	S	C	.	.	H	α-helix	trans	-69.1	-44.1	-176.9	-76.8	-77.5	0	0	0	111.9	C296 V335 L343 M570	C296-F339 HydrophobicContact CB-CB 4.24Å; C296-F339 HydrophobicContact CB-CD2 3.7Å; C296-F339 HydrophobicContact CB-CE2 4.26Å; C296-F339 HydrophobicContact CB-CG 4Å; V335-F339 HydrophobicContact CG1-CD2 3.67Å; V335-F339 HydrophobicContact CG1-CE2 3.78Å; V335-F339 WeakPolarHBondContact O-CD2 3.34Å; V335-F339 PolarHBondContact O-N 3.44Å; F339-L343 WeakPolarHBondContact O-CB 3.42Å; F339-L343 PolarHBondContact O-N 3.24Å; F339-M570 HydrophobicContact CD1-CE 3.9Å; F339-M570 HydrophobicContact CE1-CE 3.57Å
340	G	96.9	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-46.8	178.2	0	0	0	0	0	112.8	S289 N336 L343 Y344	S289-G340 WeakPolarHBondContact CB-O 3.35Å; S289-G340 VanDerWaalsContact O-CA 3.23Å; S289-G340 WeakPolarHBondContact O-CA 3.3Å; N336-G340 PolarHBondContact O-N 3.3Å; G340-L343 PolarHBondContact O-N 3.27Å; G340-Y344 WeakPolarHBondContact O-CB 3.27Å; G340-Y344 PolarHBondContact O-N 3.28Å
341	G	96.8	Very high	95.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-44.7	178.6	0	0	0	0	0	112.5	G337 Y344 A345 R415	G337-G341 VanDerWaalsContact O-CA 3.32Å; G337-G341 WeakPolarHBondContact O-CA 3.38Å; G337-G341 PolarHBondContact O-N 2.79Å; G341-Y344 PolarHBondContact O-N 3.49Å; G341-A345 WeakPolarHBondContact O-CB 3.37Å; G341-A345 PolarHBondContact O-N 3.3Å; G341-R415 VanDerWaalsContact O-CG 3.28Å; G341-R415 WeakPolarHBondContact O-CG 3.49Å
342	S	96.3	Very high	95.7	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-51.5	175.5	171.3	0	0	0	0	111.4	Y338 A345 K346 G414 S418	Y338-S342 WeakPolarHBondContact O-CB 3.44Å; Y338-S342 PolarHBondContact O-N 2.94Å; S342-A345 PolarHBondContact O-N 3.46Å; S342-K346 WeakPolarHBondContact O-CG 3.18Å; S342-K346 PolarHBondContact O-N 3.46Å; S342-K346 WeakPolarHBondContact OG-CE 3.24Å; S342-G414 WeakPolarHBondContact CA-O 3.31Å; S342-G414 WeakPolarHBondContact CB-O 3.38Å; S342-S418 WeakPolarHBondContact OG-CB 3.48Å; S342-S418 PolarHBondContact OG-O 3.3Å
343	L	96.1	Very high	95.7	Very high	19 Å²	19	47 Å²	47	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-41.6	-177.9	-177	58.1	0	0	0	111.9	F288 I292 F339 G340 A345 K346 Q347 Y569	F288-L343 HydrophobicContact CD1-CD2 4.17Å; F288-L343 HydrophobicContact CE1-CD2 4.04Å; I292-L343 HydrophobicContact CB-CD2 4Å; I292-L343 HydrophobicContact CG1-CD2 3.81Å; I292-L343 HydrophobicContact CG2-CD2 4.09Å; F339-L343 WeakPolarHBondContact O-CB 3.42Å; F339-L343 PolarHBondContact O-N 3.24Å; G340-L343 PolarHBondContact O-N 3.27Å; L343-A345 VanDerWaalsContact C-N 3.31Å; L343-A345 PolarHBondContact O-N 3.46Å; L343-K346 PolarHBondContact O-N 2.99Å; L343-Q347 HydrophobicContact CD1-CG 4.45Å; L343-Q347 WeakPolarHBondContact O-CG 3.45Å; L343-Q347 PolarHBondContact O-N 3.44Å; L343-Q347 VanDerWaalsContact O-N 3.08Å; L343-Y569 HydrophobicContact CD1-CE1 4.42Å; L343-Y569 HydrophobicContact CD2-CE1 3.79Å
344	Y	96.9	Very high	95.7	Very high	13 Å²	13	52.7 Å²	52.7	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-62.1	-39.4	177.4	-171.2	-116.1	0	0	0	112.2	P285 L286 G340 G341 Q347 G349 R351 W352 Q355	P285-Y344 HydrophobicContact CB-CD2 4.36Å; P285-Y344 HydrophobicContact CB-CE2 4.34Å; P285-Y344 HydrophobicContact CG-CE2 4.39Å; L286-Y344 HydrophobicContact CB-CE2 3.84Å; G340-Y344 WeakPolarHBondContact O-CB 3.27Å; G340-Y344 PolarHBondContact O-N 3.28Å; G341-Y344 PolarHBondContact O-N 3.49Å; Y344-Q347 PolarHBondContact O-N 3.37Å; Y344-G349 VanDerWaalsContact CE1-C 3.45Å; Y344-G349 VanDerWaalsContact CE1-CA 3.48Å; Y344-G349 VanDerWaalsContact CZ-CA 3.42Å; Y344-G349 WeakPolarHBondContact O-CA 3.45Å; Y344-G349 PolarHBondContact O-N 2.91Å; Y344-R351 PolarHBondContact OH-N 3.35Å; Y344-W352 HydrophobicContact CD1-CB 4.37Å; Y344-W352 HydrophobicContact CE1-CB 4.4Å; Y344-Q355 HydrophobicContact CD1-CB 3.91Å; Y344-Q355 HydrophobicContact CD1-CG 4.1Å; Y344-Q355 HydrophobicContact CD2-CG 4.18Å; Y344-Q355 HydrophobicContact CE1-CB 4.12Å; Y344-Q355 HydrophobicContact CG-CB 4.12Å; Y344-Q355 HydrophobicContact CG-CG 3.82Å
345	A	95.6	Very high	95.6	Very high	19 Å²	19	51 Å²	51	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-44.3	174.6	0	0	0	0	0	112.2	G341 S342 L343 Q347 G348 R415 G419	G341-A345 WeakPolarHBondContact O-CB 3.37Å; G341-A345 PolarHBondContact O-N 3.3Å; S342-A345 PolarHBondContact O-N 3.46Å; L343-A345 VanDerWaalsContact C-N 3.31Å; L343-A345 PolarHBondContact O-N 3.46Å; A345-Q347 PolarHBondContact O-N 2.99Å; A345-G348 PolarHBondContact O-N 3Å; A345-R415 HydrophobicContact CB-CB 4.43Å; A345-R415 HydrophobicContact CB-CG 4.04Å; A345-G419 CarbonylContact C-O 3.58Å; A345-G419 VanDerWaalsContact C-O 3.25Å
346	K	93.3	Very high	95.5	Very high	71 Å²	71	49.6 Å²	49.6	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-57.9	-32.5	175.8	-72.7	178.4	-168.9	177.3	0	112.7	S342 L343 G348 S418 G419	S342-K346 WeakPolarHBondContact O-CG 3.18Å; S342-K346 PolarHBondContact O-N 3.46Å; S342-K346 WeakPolarHBondContact OG-CE 3.24Å; L343-K346 PolarHBondContact O-N 2.99Å; K346-G348 VanDerWaalsContact C-N 3.26Å; K346-G348 PolarHBondContact O-N 3.38Å; K346-S418 WeakPolarHBondContact CE-O 3.46Å; K346-G419 WeakPolarHBondContact CA-O 3.46Å; K346-G419 PolarHBondContact N-O 3.47Å; K346-G419 VanDerWaalsContact N-O 3.16Å
347	Q	93	Very high	95.5	Very high	17 Å²	17	54 Å²	54	8%	0.079	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.8	178.1	-68.8	-177.2	-28.4	0	0	113.7	P281 S282 P285 L343 Y344 A345	P281-Q347 HydrophobicContact CB-CB 4.17Å; P281-Q347 WeakPolarHBondContact CG-O 3.37Å; S282-Q347 PolarHBondContact OG-NE2 3.49Å; S282-Q347 PolarHBondContact OG-OE1 2.98Å; P285-Q347 HydrophobicContact CB-CB 4.24Å; L343-Q347 HydrophobicContact CD1-CG 4.45Å; L343-Q347 WeakPolarHBondContact O-CG 3.45Å; L343-Q347 PolarHBondContact O-N 3.44Å; L343-Q347 VanDerWaalsContact O-N 3.08Å; Y344-Q347 PolarHBondContact O-N 3.37Å; A345-Q347 PolarHBondContact O-N 2.99Å
348	G	91.1	Very high	95.4	Very high	59 Å²	59	57.2 Å²	57.2	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	18.2	179.4	0	0	0	0	0	114.6	A345 K346 R350	A345-G348 PolarHBondContact O-N 3Å; K346-G348 VanDerWaalsContact C-N 3.26Å; K346-G348 PolarHBondContact O-N 3.38Å; G348-R350 PolarHBondContact O-N 3.06Å
349	G	92.4	Very high	95.3	Very high	12 Å²	12	53.9 Å²	53.9	12%	0.124	25%	0.253	C	S	.	.			trans	-67.4	119.9	-178.3	0	0	0	0	0	113.8	Y344	Y344-G349 VanDerWaalsContact CE1-C 3.45Å; Y344-G349 VanDerWaalsContact CE1-CA 3.48Å; Y344-G349 VanDerWaalsContact CZ-CA 3.42Å; Y344-G349 WeakPolarHBondContact O-CA 3.45Å; Y344-G349 PolarHBondContact O-N 2.91Å
350	R	91.1	Very high	95.2	Very high	228 Å²	228	50.7 Å²	50.7	86%	0.86	24%	0.239	S	C	*	.	S	Bend	trans	-87.8	-31.6	179.9	-61.8	-174.8	-177	-178.5	0.4	114	G348 W352	G348-R350 PolarHBondContact O-N 3.06Å; R350-W352 VanDerWaalsContact C-N 3.28Å; R350-W352 PolarHBondContact O-N 3.09Å; R350-W352 VanDerWaalsContact O-N 3.09Å
351	R	95.3	Very high	95.1	Very high	166 Å²	166	52.9 Å²	52.9	63%	0.626	25%	0.249	S	C	*	.			trans	-90	54.9	-173	-61.8	-179.8	-174.7	170.5	-0.4	112.1	Y344 I353 K354 Q355	Y344-R351 PolarHBondContact OH-N 3.35Å; R351-I353 VanDerWaalsContact C-N 3.31Å; R351-I353 PolarHBondContact O-N 2.82Å; R351-K354 HydrophobicContact CB-CB 4.44Å; R351-K354 HydrophobicContact CB-CD 4.44Å; R351-K354 HydrophobicContact CB-CG 4.47Å; R351-K354 PolarHBondContact O-N 3.07Å; R351-K354 VanDerWaalsContact O-N 3.15Å; R351-Q355 PolarHBondContact O-N 3.13Å
352	W	94.8	Very high	95	Very high	74 Å²	74	55.1 Å²	55.1	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-31.5	-171.4	64.6	-92.7	0	0	0	114.1	Y344 R350 K354 Q355 M356 L408 T411 R415	Y344-W352 HydrophobicContact CD1-CB 4.37Å; Y344-W352 HydrophobicContact CE1-CB 4.4Å; R350-W352 VanDerWaalsContact C-N 3.28Å; R350-W352 PolarHBondContact O-N 3.09Å; R350-W352 VanDerWaalsContact O-N 3.09Å; W352-K354 VanDerWaalsContact C-N 3.3Å; W352-K354 PolarHBondContact O-N 3.05Å; W352-Q355 PolarHBondContact O-N 3.49Å; W352-M356 PolarHBondContact O-N 2.93Å; W352-L408 HydrophobicContact CZ3-CD1 4.1Å; W352-T411 HydrophobicContact CE3-CG2 4.29Å; W352-R415 VanDerWaalsContact CD1-CZ 3.47Å; W352-R415 VanDerWaalsContact CE2-NH1 3.26Å
353	I	96.4	Very high	95	Very high	87 Å²	87	55.3 Å²	55.3	45%	0.446	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-41.8	176	-60.1	169.7	0	0	0	110	R351 Q355 M356 F357	R351-I353 VanDerWaalsContact C-N 3.31Å; R351-I353 PolarHBondContact O-N 2.82Å; I353-Q355 VanDerWaalsContact C-N 3.34Å; I353-Q355 PolarHBondContact O-N 3.46Å; I353-M356 WeakPolarHBondContact O-CB 3.47Å; I353-M356 PolarHBondContact O-N 2.93Å; I353-F357 HydrophobicContact CG2-CD2 3.74Å; I353-F357 HydrophobicContact CG2-CE2 3.69Å; I353-F357 VanDerWaalsContact O-CD2 3.3Å; I353-F357 WeakPolarHBondContact O-CD2 3.16Å; I353-F357 PolarHBondContact O-N 3.19Å
354	K	96.4	Very high	94.9	Very high	120 Å²	120	55 Å²	55	52%	0.522	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-40.7	176.7	-65.9	-168.2	178.3	-168.9	0	111.7	L286 R351 W352 F357 I358	L286-K354 HydrophobicContact CD1-CB 3.97Å; R351-K354 HydrophobicContact CB-CB 4.44Å; R351-K354 HydrophobicContact CB-CD 4.44Å; R351-K354 HydrophobicContact CB-CG 4.47Å; R351-K354 PolarHBondContact O-N 3.07Å; R351-K354 VanDerWaalsContact O-N 3.15Å; W352-K354 VanDerWaalsContact C-N 3.3Å; W352-K354 PolarHBondContact O-N 3.05Å; K354-F357 PolarHBondContact O-N 3.19Å; K354-I358 WeakPolarHBondContact O-CG1 3.3Å; K354-I358 PolarHBondContact O-N 3.39Å
355	Q	96.3	Very high	94.8	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-44.4	175.5	-174	-78	-47.1	0	0	111	L286 S289 S290 Y344 R351 W352 I353 F357 I358 G359	L286-Q355 HydrophobicContact CG-CB 4.27Å; S289-Q355 WeakPolarHBondContact OG-CG 3.43Å; S290-Q355 PolarHBondContact OG-NE2 2.79Å; Y344-Q355 HydrophobicContact CD1-CB 3.91Å; Y344-Q355 HydrophobicContact CD1-CG 4.1Å; Y344-Q355 HydrophobicContact CD2-CG 4.18Å; Y344-Q355 HydrophobicContact CE1-CB 4.12Å; Y344-Q355 HydrophobicContact CG-CB 4.12Å; Y344-Q355 HydrophobicContact CG-CG 3.82Å; R351-Q355 PolarHBondContact O-N 3.13Å; W352-Q355 PolarHBondContact O-N 3.49Å; I353-Q355 VanDerWaalsContact C-N 3.34Å; I353-Q355 PolarHBondContact O-N 3.46Å; Q355-F357 PolarHBondContact O-N 2.83Å; Q355-I358 PolarHBondContact O-N 3.45Å; Q355-G359 PolarHBondContact O-N 3.44Å
356	M	96.6	Very high	94.8	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-47.1	176.1	-178.5	-146.8	71.6	0	0	112.3	W352 I353 G359 A360 L404 N407 L408 T411	W352-M356 PolarHBondContact O-N 2.93Å; I353-M356 WeakPolarHBondContact O-CB 3.47Å; I353-M356 PolarHBondContact O-N 2.93Å; M356-G359 PolarHBondContact O-N 3.43Å; M356-A360 WeakPolarHBondContact O-CB 3.49Å; M356-A360 PolarHBondContact O-N 2.8Å; M356-L404 HydrophobicContact CE-CD1 3.76Å; M356-N407 PolarHBondContact O-ND2 2.81Å; M356-L408 HydrophobicContact SD-CB 3.66Å; M356-L408 HydrophobicContact SD-CD1 3.37Å; M356-L408 WeakPolarHBondContact SD-CD1 3.37Å; M356-L408 HydrophobicContact SD-CG 4.08Å; M356-T411 HydrophobicContact CB-CG2 4.21Å; M356-T411 HydrophobicContact CG-CG2 4.47Å
357	F	96.9	Very high	94.8	Very high	93 Å²	93	58.1 Å²	58.1	41%	0.408	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-44.5	177.2	-89.4	-76.2	0	0	0	112	I353 K354 Q355 A360 F361 L404	I353-F357 HydrophobicContact CG2-CD2 3.74Å; I353-F357 HydrophobicContact CG2-CE2 3.69Å; I353-F357 VanDerWaalsContact O-CD2 3.3Å; I353-F357 WeakPolarHBondContact O-CD2 3.16Å; I353-F357 PolarHBondContact O-N 3.19Å; K354-F357 PolarHBondContact O-N 3.19Å; Q355-F357 PolarHBondContact O-N 2.83Å; F357-A360 PolarHBondContact O-N 3.35Å; F357-F361 HydrophobicContact CD1-CD2 4.04Å; F357-F361 AromaticContact CD1-CE2 3.78Å; F357-F361 HydrophobicContact CD1-CE2 3.78Å; F357-F361 HydrophobicContact CE1-CE2 4.15Å; F357-F361 WeakPolarHBondContact O-CD2 3.4Å; F357-F361 PolarHBondContact O-N 3.38Å; F357-L404 HydrophobicContact CD1-CD1 4.04Å; F357-L404 HydrophobicContact CE1-CD1 3.9Å; F357-L404 HydrophobicContact CE1-CD2 3.93Å; F357-L404 HydrophobicContact CZ-CD1 4.49Å; F357-L404 HydrophobicContact CZ-CD2 4.46Å
358	I	96.3	Very high	94.8	Very high	69 Å²	69	59.7 Å²	59.7	35%	0.354	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-43.7	178.4	-71.1	167.2	0	0	0	110.4	L286 K354 Q355 A360 F361 M362	L286-I358 HydrophobicContact CD1-CD1 4.43Å; L286-I358 HydrophobicContact CD2-CB 4.46Å; L286-I358 HydrophobicContact CD2-CD1 3.21Å; L286-I358 HydrophobicContact CD2-CG1 4.38Å; L286-I358 HydrophobicContact CD2-CG2 4.45Å; L286-I358 HydrophobicContact CG-CD1 4.34Å; K354-I358 WeakPolarHBondContact O-CG1 3.3Å; K354-I358 PolarHBondContact O-N 3.39Å; Q355-I358 PolarHBondContact O-N 3.45Å; I358-A360 PolarHBondContact O-N 3.46Å; I358-F361 PolarHBondContact O-N 2.8Å; I358-M362 WeakPolarHBondContact O-CB 3.28Å; I358-M362 PolarHBondContact O-N 3.45Å
359	G	94.5	Very high	94.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-43.8	174.4	0	0	0	0	0	112.9	N336 Q355 M356	N336-G359 PolarHBondContact ND2-O 3.4Å; Q355-G359 PolarHBondContact O-N 3.44Å; M356-G359 PolarHBondContact O-N 3.43Å
360	A	95.9	Very high	95	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-42.3	-179.2	0	0	0	0	0	113	M356 F357 I358 P364 L404 N407	M356-A360 WeakPolarHBondContact O-CB 3.49Å; M356-A360 PolarHBondContact O-N 2.8Å; F357-A360 PolarHBondContact O-N 3.35Å; I358-A360 PolarHBondContact O-N 3.46Å; A360-P364 WeakPolarHBondContact O-CD 3.41Å; A360-P364 WeakPolarHBondContact O-CG 3.35Å; A360-L404 HydrophobicContact CB-CD1 4Å; A360-N407 HydrophobicContact CB-CB 4.2Å; A360-N407 WeakPolarHBondContact CB-ND2 3.17Å; A360-N407 PolarHBondContact N-ND2 3.32Å
361	F	95.8	Very high	95	Very high	46 Å²	46	49.8 Å²	49.8	20%	0.202	26%	0.261	C	S	.	.	H	α-helix	trans	-104	-12.8	-168.2	-70.8	-72.1	0	0	0	114.9	F357 I358 I363 A365 C399 F400 L404	F357-F361 HydrophobicContact CD1-CD2 4.04Å; F357-F361 AromaticContact CD1-CE2 3.78Å; F357-F361 HydrophobicContact CD1-CE2 3.78Å; F357-F361 HydrophobicContact CE1-CE2 4.15Å; F357-F361 WeakPolarHBondContact O-CD2 3.4Å; F357-F361 PolarHBondContact O-N 3.38Å; I358-F361 PolarHBondContact O-N 2.8Å; F361-I363 PolarHBondContact O-N 3.25Å; F361-A365 WeakPolarHBondContact O-CA 3.35Å; F361-A365 WeakPolarHBondContact O-CB 3.47Å; F361-A365 PolarHBondContact O-N 2.79Å; F361-C399 HydrophobicContact CE1-CB 4Å; F361-F400 HydrophobicContact CE1-CD1 4.25Å; F361-F400 HydrophobicContact CE1-CE1 4.01Å; F361-F400 HydrophobicContact CE1-CZ 4.18Å; F361-F400 HydrophobicContact CE2-CE1 4.38Å; F361-F400 AromaticContact CZ-CD1 3.68Å; F361-F400 HydrophobicContact CZ-CD1 3.68Å; F361-F400 AromaticContact CZ-CE1 3.54Å; F361-F400 HydrophobicContact CZ-CE1 3.54Å; F361-F400 HydrophobicContact CZ-CG 4.41Å; F361-F400 HydrophobicContact CZ-CZ 4.16Å; F361-L404 HydrophobicContact CE2-CB 4.46Å; F361-L404 HydrophobicContact CE2-CD1 3.83Å; F361-L404 HydrophobicContact CE2-CD2 4.14Å; F361-L404 HydrophobicContact CE2-CG 4.37Å; F361-L404 HydrophobicContact CZ-CB 4.25Å; F361-L404 HydrophobicContact CZ-CD1 4.43Å; F361-L404 HydrophobicContact CZ-CD2 4.18Å
362	M	94.9	Very high	94.8	Very high	47 Å²	47	48.4 Å²	48.4	23%	0.232	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-50.1	-175.9	176.4	-177.8	73.7	0	0	113.1	L291 S294 I358 M366	L291-M362 HydrophobicContact CD2-CE 3.74Å; L291-M362 HydrophobicContact CD2-SD 3.75Å; L291-M362 HydrophobicContact CG-CE 4.41Å; L291-M362 HydrophobicContact CG-SD 4.31Å; S294-M362 WeakPolarHBondContact OG-CE 3.41Å; I358-M362 WeakPolarHBondContact O-CB 3.28Å; I358-M362 PolarHBondContact O-N 3.45Å; M362-M366 WeakPolarHBondContact O-CB 3.46Å; M362-M366 PolarHBondContact O-N 3.48Å
363	I	95.3	Very high	94.7	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.062	27%	0.272	C	S	.	.	H	α-helix	trans	-73.5	-48	179.2	-56.2	-60.8	0	0	0	111.4	I298 Y329 F361 A365 M366 V367 I562	I298-I363 HydrophobicContact CD1-CD1 3.99Å; I298-I363 HydrophobicContact CD1-CG1 4.21Å; Y329-I363 HydrophobicContact CE2-CG2 4.32Å; F361-I363 PolarHBondContact O-N 3.25Å; I363-A365 VanDerWaalsContact C-N 3.32Å; I363-A365 PolarHBondContact O-N 3.07Å; I363-M366 HydrophobicContact CD1-CE 4.27Å; I363-M366 WeakPolarHBondContact O-CB 3.32Å; I363-M366 PolarHBondContact O-N 3.38Å; I363-V367 HydrophobicContact CG2-CG2 4.38Å; I363-V367 WeakPolarHBondContact O-CG2 3.23Å; I363-V367 PolarHBondContact O-N 3.16Å; I363-I562 HydrophobicContact CD1-CD1 3.59Å
364	P	94.7	Very high	94.6	Very high	12 Å²	12	46.9 Å²	46.9	8%	0.078	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-40.4	176.4	-27.9	37.5	0	0	0	113.4	Y329 A360 V367 C368	Y329-P364 HydrophobicContact CE1-CG 4.11Å; A360-P364 WeakPolarHBondContact O-CD 3.41Å; A360-P364 WeakPolarHBondContact O-CG 3.35Å; P364-V367 PolarHBondContact O-N 3.38Å; P364-C368 VanDerWaalsContact O-CB 3.23Å; P364-C368 WeakPolarHBondContact O-CB 3.48Å; P364-C368 PolarHBondContact O-N 3.35Å; P364-C368 PolarHBondContact O-SG 3.05Å
365	A	94.3	Very high	94.4	Very high	60 Å²	60	41.5 Å²	41.5	50%	0.496	23%	0.229	S	C	.	.	H	α-helix	trans	-66.2	-38	177.9	0	0	0	0	0	112.1	F361 I363 G369	F361-A365 WeakPolarHBondContact O-CA 3.35Å; F361-A365 WeakPolarHBondContact O-CB 3.47Å; F361-A365 PolarHBondContact O-N 2.79Å; I363-A365 VanDerWaalsContact C-N 3.32Å; I363-A365 PolarHBondContact O-N 3.07Å; A365-G369 WeakPolarHBondContact O-CA 3Å; A365-G369 PolarHBondContact O-N 2.98Å
366	M	94.8	Very high	94.2	Very high	50 Å²	50	48.3 Å²	48.3	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-49.8	173.8	-179.2	-176.7	70.2	0	0	111	M362 I363 G369 T370 V555 T558	M362-M366 WeakPolarHBondContact O-CB 3.46Å; M362-M366 PolarHBondContact O-N 3.48Å; I363-M366 HydrophobicContact CD1-CE 4.27Å; I363-M366 WeakPolarHBondContact O-CB 3.32Å; I363-M366 PolarHBondContact O-N 3.38Å; M366-G369 PolarHBondContact O-N 3.16Å; M366-T370 PolarHBondContact O-N 3.41Å; M366-T370 PolarHBondContact O-OG1 3.16Å; M366-V555 HydrophobicContact CE-CG1 4.33Å; M366-T558 HydrophobicContact CE-CG2 4.09Å; M366-T558 HydrophobicContact SD-CG2 3.49Å; M366-T558 WeakPolarHBondContact SD-CG2 3.48Å
367	V	94.3	Very high	94.1	Very high	59 Å²	59	48.7 Å²	48.7	36%	0.358	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-48.7	179.6	175.5	0	0	0	0	111	I363 P364 G369 T370 A371 V555	I363-V367 HydrophobicContact CG2-CG2 4.38Å; I363-V367 WeakPolarHBondContact O-CG2 3.23Å; I363-V367 PolarHBondContact O-N 3.16Å; P364-V367 PolarHBondContact O-N 3.38Å; V367-G369 VanDerWaalsContact C-N 3.33Å; V367-G369 PolarHBondContact O-N 2.78Å; V367-T370 PolarHBondContact O-N 2.94Å; V367-A371 VanDerWaalsContact O-CB 3.26Å; V367-A371 WeakPolarHBondContact O-CB 3.45Å; V367-A371 PolarHBondContact O-N 3.06Å; V367-V555 HydrophobicContact CG2-CG1 3.91Å
368	C	92.6	Very high	93.8	Very high	49 Å²	49	44.3 Å²	44.3	33%	0.331	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-36.8	179.5	-65.7	0	0	0	0	111.8	P364 A371 F372	P364-C368 VanDerWaalsContact O-CB 3.23Å; P364-C368 WeakPolarHBondContact O-CB 3.48Å; P364-C368 PolarHBondContact O-N 3.35Å; P364-C368 PolarHBondContact O-SG 3.05Å; C368-A371 PolarHBondContact O-N 3.44Å; C368-F372 WeakPolarHBondContact O-CB 3.18Å; C368-F372 PolarHBondContact O-N 3.17Å
369	G	92.9	Very high	93.5	Very high	43 Å²	43	45.5 Å²	45.5	44%	0.443	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-47.4	176.3	0	0	0	0	0	112	A365 M366 V367 F373	A365-G369 WeakPolarHBondContact O-CA 3Å; A365-G369 PolarHBondContact O-N 2.98Å; M366-G369 PolarHBondContact O-N 3.16Å; V367-G369 VanDerWaalsContact C-N 3.33Å; V367-G369 PolarHBondContact O-N 2.78Å; G369-F373 PolarHBondContact O-N 3.33Å; G369-F373 VanDerWaalsContact O-N 3.07Å
370	T	94.3	Very high	93.4	Very high	32 Å²	32	54 Å²	54	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-44.5	175	-58.7	0	0	0	0	111.7	M366 V367 F372 F373 I374 V555	M366-T370 PolarHBondContact O-N 3.41Å; M366-T370 PolarHBondContact O-OG1 3.16Å; V367-T370 PolarHBondContact O-N 2.94Å; T370-F372 PolarHBondContact O-N 2.92Å; T370-F373 PolarHBondContact O-N 3.01Å; T370-I374 HydrophobicContact CG2-CD1 3.74Å; T370-I374 WeakPolarHBondContact O-CG1 2.76Å; T370-I374 PolarHBondContact O-N 3.41Å; T370-V555 HydrophobicContact CG2-CG2 3.81Å; T370-V555 WeakPolarHBondContact OG1-CG2 3.41Å
371	A	91.9	Very high	93	Very high	17 Å²	17	57.3 Å²	57.3	14%	0.14	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-43.4	178	0	0	0	0	0	111.7	V367 C368 I374 N375	V367-A371 VanDerWaalsContact O-CB 3.26Å; V367-A371 WeakPolarHBondContact O-CB 3.45Å; V367-A371 PolarHBondContact O-N 3.06Å; C368-A371 PolarHBondContact O-N 3.44Å; A371-I374 PolarHBondContact O-N 3.21Å; A371-N375 WeakPolarHBondContact O-CB 3.21Å; A371-N375 PolarHBondContact O-N 3.41Å
372	F	91.6	Very high	92.7	Very high	136 Å²	136	62.8 Å²	62.8	60%	0.596	32%	0.32	S	S	*	.	H	α-helix	trans	-64	-43.2	177.9	-177.4	-95.3	0	0	0	112.1	C368 T370 N375 F376	C368-F372 WeakPolarHBondContact O-CB 3.18Å; C368-F372 PolarHBondContact O-N 3.17Å; T370-F372 PolarHBondContact O-N 2.92Å; F372-N375 WeakPolarHBondContact O-CB 3.44Å; F372-N375 PolarHBondContact O-N 2.96Å; F372-F376 PolarHBondContact O-N 3.47Å
373	F	93	Very high	92.3	Very high	123 Å²	123	60.9 Å²	60.9	54%	0.539	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-48.2	175.3	173.8	-101.7	0	0	0	111.7	G369 T370 N375 F376 I377	G369-F373 PolarHBondContact O-N 3.33Å; G369-F373 VanDerWaalsContact O-N 3.07Å; T370-F373 PolarHBondContact O-N 3.01Å; F373-N375 VanDerWaalsContact C-N 3.29Å; F373-N375 PolarHBondContact O-N 3.37Å; F373-F376 PolarHBondContact O-N 3Å; F373-I377 HydrophobicContact CD1-CD1 4.49Å; F373-I377 HydrophobicContact CE1-CD1 3.88Å; F373-I377 HydrophobicContact CZ-CD1 4.01Å
374	I	93.9	Very high	91.7	Very high	6 Å²	6	60.7 Å²	60.7	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-37.8	177.3	-67.9	168.1	0	0	0	110.7	T370 A371 F376 I377 A378 F544 F548 Y552	T370-I374 HydrophobicContact CG2-CD1 3.74Å; T370-I374 WeakPolarHBondContact O-CG1 2.76Å; T370-I374 PolarHBondContact O-N 3.41Å; A371-I374 PolarHBondContact O-N 3.21Å; I374-F376 VanDerWaalsContact C-N 3.32Å; I374-F376 PolarHBondContact O-N 3.22Å; I374-I377 WeakPolarHBondContact O-CB 3.23Å; I374-I377 PolarHBondContact O-N 2.86Å; I374-I377 VanDerWaalsContact O-N 3.16Å; I374-A378 PolarHBondContact O-N 3.01Å; I374-F544 HydrophobicContact CG2-CE2 4.2Å; I374-F548 HydrophobicContact CG2-CB 4.44Å; I374-F548 HydrophobicContact CG2-CD2 3.51Å; I374-F548 HydrophobicContact CG2-CE2 4.14Å; I374-F548 HydrophobicContact CG2-CG 4.37Å; I374-Y552 HydrophobicContact CD1-CD2 3.55Å; I374-Y552 HydrophobicContact CD1-CE2 3.35Å; I374-Y552 HydrophobicContact CG2-CE2 4.47Å
375	N	92.3	Very high	91.1	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.043	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-36.5	179.3	-166.6	68.2	0	0	0	112.5	A371 F372 F373 I377 A378 I379 A386 I387 M392	A371-N375 WeakPolarHBondContact O-CB 3.21Å; A371-N375 PolarHBondContact O-N 3.41Å; F372-N375 WeakPolarHBondContact O-CB 3.44Å; F372-N375 PolarHBondContact O-N 2.96Å; F373-N375 VanDerWaalsContact C-N 3.29Å; F373-N375 PolarHBondContact O-N 3.37Å; N375-I377 VanDerWaalsContact C-N 3.27Å; N375-I377 PolarHBondContact O-N 3.39Å; N375-A378 WeakPolarHBondContact O-CB 3.04Å; N375-A378 PolarHBondContact O-N 3.16Å; N375-A378 VanDerWaalsContact O-N 3.17Å; N375-I379 WeakPolarHBondContact ND2-CD1 3.2Å; N375-I379 WeakPolarHBondContact O-CG1 3.36Å; N375-I379 PolarHBondContact O-N 2.97Å; N375-A386 WeakPolarHBondContact OD1-CA 3.43Å; N375-I387 PolarHBondContact OD1-N 2.94Å; N375-M392 HydrophobicContact CB-CE 4.06Å; N375-M392 VanDerWaalsContact CG-CE 3.48Å; N375-M392 WeakPolarHBondContact ND2-CE 3.42Å
376	F	92.3	Very high	90.8	Very high	143 Å²	143	60.7 Å²	60.7	63%	0.627	30%	0.303	S	S	*	.	H	α-helix	trans	-59.2	-41.7	173.8	-177.8	-98.8	0	0	0	111.6	F372 F373 I374 Y380	F372-F376 PolarHBondContact O-N 3.47Å; F373-F376 PolarHBondContact O-N 3Å; I374-F376 VanDerWaalsContact C-N 3.32Å; I374-F376 PolarHBondContact O-N 3.22Å; F376-Y380 PolarHBondContact O-N 3.06Å; F376-Y380 VanDerWaalsContact O-N 3.16Å
377	I	93.6	Very high	90.3	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.082	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-41.5	174.7	-55.1	172.4	0	0	0	110.4	F373 I374 N375 I379 Y380 Y381 L543 F544	F373-I377 HydrophobicContact CD1-CD1 4.49Å; F373-I377 HydrophobicContact CE1-CD1 3.88Å; F373-I377 HydrophobicContact CZ-CD1 4.01Å; I374-I377 WeakPolarHBondContact O-CB 3.23Å; I374-I377 PolarHBondContact O-N 2.86Å; I374-I377 VanDerWaalsContact O-N 3.16Å; N375-I377 VanDerWaalsContact C-N 3.27Å; N375-I377 PolarHBondContact O-N 3.39Å; I377-I379 VanDerWaalsContact C-N 3.31Å; I377-I379 PolarHBondContact O-N 3.27Å; I377-Y380 WeakPolarHBondContact O-CB 3.44Å; I377-Y380 PolarHBondContact O-N 3.48Å; I377-Y380 VanDerWaalsContact O-N 3.16Å; I377-Y381 HydrophobicContact CG2-CD2 3.94Å; I377-Y381 HydrophobicContact CG2-CE2 4.04Å; I377-Y381 WeakPolarHBondContact O-CD2 3.5Å; I377-Y381 PolarHBondContact O-N 3.35Å; I377-L543 HydrophobicContact CD1-CD2 4.01Å; I377-L543 HydrophobicContact CG1-CD2 4.34Å; I377-L543 HydrophobicContact CG2-CD2 3.46Å; I377-L543 VanDerWaalsContact CG2-CD2 3.46Å; I377-F544 HydrophobicContact CB-CD2 4.16Å; I377-F544 HydrophobicContact CG2-CB 4.14Å; I377-F544 HydrophobicContact CG2-CD2 3.69Å; I377-F544 HydrophobicContact CG2-CG 4.4Å
378	A	91.2	Very high	89.9	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-44	177.4	0	0	0	0	0	111.9	I374 N375 Y381 H382 A383 A386 F544	I374-A378 PolarHBondContact O-N 3.01Å; N375-A378 WeakPolarHBondContact O-CB 3.04Å; N375-A378 PolarHBondContact O-N 3.16Å; N375-A378 VanDerWaalsContact O-N 3.17Å; A378-Y381 PolarHBondContact O-N 2.88Å; A378-H382 PolarHBondContact O-N 2.91Å; A378-H382 VanDerWaalsContact O-N 3.11Å; A378-A383 HydrophobicContact CB-CB 4.44Å; A378-A383 PolarHBondContact O-N 3.4Å; A378-A386 HydrophobicContact CB-CB 4.05Å; A378-F544 HydrophobicContact CB-CE2 3.55Å; A378-F544 HydrophobicContact CB-CZ 3.87Å
379	I	90.6	Very high	89.5	Confident	95 Å²	95	65.7 Å²	65.7	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-43.2	176.7	-68.2	166.8	0	0	0	110.8	N375 I377 Y381 H382 A386	N375-I379 WeakPolarHBondContact ND2-CD1 3.2Å; N375-I379 WeakPolarHBondContact O-CG1 3.36Å; N375-I379 PolarHBondContact O-N 2.97Å; I377-I379 VanDerWaalsContact C-N 3.31Å; I377-I379 PolarHBondContact O-N 3.27Å; I379-Y381 VanDerWaalsContact C-N 3.25Å; I379-Y381 PolarHBondContact O-N 2.88Å; I379-H382 PolarHBondContact O-N 2.87Å; I379-A386 HydrophobicContact CG1-CB 4.03Å
380	Y	91.4	Very high	89.2	Confident	178 Å²	178	66 Å²	66	70%	0.698	33%	0.325	S	S	*	.	H	α-helix	trans	-59.7	-36.9	176.9	176.8	-96.8	0	0	0	112.5	F376 I377 H382	F376-Y380 PolarHBondContact O-N 3.06Å; F376-Y380 VanDerWaalsContact O-N 3.16Å; I377-Y380 WeakPolarHBondContact O-CB 3.44Å; I377-Y380 PolarHBondContact O-N 3.48Å; I377-Y380 VanDerWaalsContact O-N 3.16Å; Y380-H382 VanDerWaalsContact C-N 3.32Å
381	Y	88.3	Confident	88.7	Confident	70 Å²	70	65.2 Å²	65.2	28%	0.275	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.2	175.8	-85	-100.6	0	0	0	113.5	Y55 I377 A378 I379 A383 L543 F544	Y55-Y381 VanDerWaalsContact CE1-O 3.31Å; Y55-Y381 WeakPolarHBondContact CE1-O 3.42Å; I377-Y381 HydrophobicContact CG2-CD2 3.94Å; I377-Y381 HydrophobicContact CG2-CE2 4.04Å; I377-Y381 WeakPolarHBondContact O-CD2 3.5Å; I377-Y381 PolarHBondContact O-N 3.35Å; A378-Y381 PolarHBondContact O-N 2.88Å; I379-Y381 VanDerWaalsContact C-N 3.25Å; I379-Y381 PolarHBondContact O-N 2.88Å; Y381-A383 PolarHBondContact O-N 3.34Å; Y381-L543 HydrophobicContact CE2-CD2 4.36Å; Y381-F544 HydrophobicContact CD2-CB 4.13Å; Y381-F544 HydrophobicContact CE2-CB 4.16Å; Y381-F544 HydrophobicContact CG-CB 4.35Å
382	H	88	Confident	88.4	Confident	162 Å²	162	66.7 Å²	66.7	75%	0.75	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	32.9	-167.4	-57.1	-74.8	0	0	0	113.1	A378 I379 Y380	A378-H382 PolarHBondContact O-N 2.91Å; A378-H382 VanDerWaalsContact O-N 3.11Å; I379-H382 PolarHBondContact O-N 2.87Å; Y380-H382 VanDerWaalsContact C-N 3.32Å
383	A	87.3	Confident	88.3	Confident	6 Å²	6	63.2 Å²	63.2	5%	0.05	31%	0.314	C	S	.	.			trans	-70	144.2	178.9	0	0	0	0	0	111.1	T54 A378 Y381 R385 A386 F544	T54-A383 CarbonylContact O-C 3.33Å; T54-A383 VanDerWaalsContact O-CA 3.25Å; T54-A383 WeakPolarHBondContact O-CA 3.3Å; T54-A383 WeakPolarHBondContact O-CB 3.43Å; A378-A383 HydrophobicContact CB-CB 4.44Å; A378-A383 PolarHBondContact O-N 3.4Å; Y381-A383 PolarHBondContact O-N 3.34Å; A383-R385 PolarHBondContact O-N 3.5Å; A383-A386 WeakPolarHBondContact O-CB 3.46Å; A383-A386 PolarHBondContact O-N 3.26Å; A383-A386 VanDerWaalsContact O-N 3.13Å; A383-F544 HydrophobicContact CB-CE1 4.16Å; A383-F544 HydrophobicContact CB-CZ 4.25Å
384	S	83.6	Confident	88.1	Confident	9 Å²	9	59 Å²	59	6%	0.063	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.1	174.7	59.3	0	0	0	0	112.5	T44 T54 A386	T44-S384 WeakPolarHBondContact CG2-OG 3.32Å; T54-S384 VanDerWaalsContact C-OG 3.24Å; T54-S384 PolarHBondContact O-N 3.48Å; T54-S384 PolarHBondContact O-OG 3.36Å; T54-S384 VanDerWaalsContact O-OG 3.13Å; T54-S384 PolarHBondContact OG1-OG 3.12Å; S384-A386 PolarHBondContact O-N 3.5Å
385	R	82	Confident	87.8	Confident	44 Å²	44	60.4 Å²	60.4	17%	0.166	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	7.4	175.6	-60.3	-132.1	-68	151.6	9.5	115.1	Q52 T54 Q82 A383 I387 F548	Q52-R385 PolarHBondContact O-NE 3.49Å; Q52-R385 PolarHBondContact O-NH2 3.09Å; T54-R385 WeakPolarHBondContact OG1-CG 3.48Å; Q82-R385 VanDerWaalsContact O-CD 3.24Å; Q82-R385 WeakPolarHBondContact O-CD 3.22Å; A383-R385 PolarHBondContact O-N 3.5Å; R385-I387 PolarHBondContact O-N 2.88Å; R385-F548 VanDerWaalsContact CZ-CE2 3.41Å; R385-F548 VanDerWaalsContact CZ-CZ 3.45Å
386	A	86.6	Confident	87.7	Confident	27 Å²	27	63.1 Å²	63.1	22%	0.223	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.6	116.9	167.5	0	0	0	0	0	109.4	N375 A378 I379 A383 S384 P388	N375-A386 WeakPolarHBondContact OD1-CA 3.43Å; A378-A386 HydrophobicContact CB-CB 4.05Å; I379-A386 HydrophobicContact CG1-CB 4.03Å; A383-A386 WeakPolarHBondContact O-CB 3.46Å; A383-A386 PolarHBondContact O-N 3.26Å; A383-A386 VanDerWaalsContact O-N 3.13Å; S384-A386 PolarHBondContact O-N 3.5Å; A386-P388 WeakPolarHBondContact O-CD 3.25Å
387	I	84.8	Confident	87.7	Confident	30 Å²	30	58.8 Å²	58.8	15%	0.154	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-66.2	123.1	177.5	-57.7	174.1	0	0	0	108.6	N375 R385 T391 M392	N375-I387 PolarHBondContact OD1-N 2.94Å; R385-I387 PolarHBondContact O-N 2.88Å; I387-T391 HydrophobicContact CG2-CG2 4.09Å; I387-M392 HydrophobicContact CB-CE 3.98Å; I387-M392 HydrophobicContact CG2-CE 4.24Å; I387-M392 HydrophobicContact CG2-CG 3.92Å
388	P	85.4	Confident	87.6	Confident	69 Å²	69	59.9 Å²	59.9	45%	0.448	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-62.2	149.9	176.2	-23.2	33.7	0	0	0	112.4	A386 G390 T391 M392	A386-P388 WeakPolarHBondContact O-CD 3.25Å; P388-G390 VanDerWaalsContact C-N 3.26Å; P388-G390 PolarHBondContact O-N 3.49Å; P388-T391 PolarHBondContact O-N 3.46Å; P388-T391 VanDerWaalsContact O-N 3.14Å; P388-M392 PolarHBondContact O-N 3.38Å
389	F	84.9	Confident	87.8	Confident	164 Å²	164	60.4 Å²	60.4	72%	0.719	33%	0.325	S	S	*	.	H	α-helix	trans	-57.4	-38.5	179.2	178.9	-104.2	0	0	0	112.8	T391 M392 V393	F389-T391 VanDerWaalsContact C-N 3.32Å; F389-T391 PolarHBondContact O-N 3.3Å; F389-M392 WeakPolarHBondContact O-CB 3.37Å; F389-M392 PolarHBondContact O-N 3.48Å; F389-V393 HydrophobicContact CD1-CG2 4.17Å; F389-V393 HydrophobicContact CE1-CG2 3.66Å; F389-V393 HydrophobicContact CE2-CG2 4.17Å; F389-V393 HydrophobicContact CZ-CG2 3.66Å; F389-V393 WeakPolarHBondContact O-CG2 3.49Å; F389-V393 PolarHBondContact O-N 3.02Å; F389-V393 VanDerWaalsContact O-N 3.07Å
390	G	85.5	Confident	87.9	Confident	51 Å²	51	61.4 Å²	61.4	53%	0.526	33%	0.326	S	S	.	.	H	α-helix	trans	-58.4	-42.8	177.7	0	0	0	0	0	112.8	P388 M392 V393 A394	P388-G390 VanDerWaalsContact C-N 3.26Å; P388-G390 PolarHBondContact O-N 3.49Å; G390-M392 VanDerWaalsContact C-N 3.35Å; G390-M392 PolarHBondContact O-N 3.3Å; G390-V393 PolarHBondContact O-N 2.85Å; G390-A394 PolarHBondContact O-N 3.37Å
391	T	84.8	Confident	88.1	Confident	14 Å²	14	60.3 Å²	60.3	9%	0.086	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-38.4	177.6	-48.5	0	0	0	0	111.7	L77 L81 I387 P388 F389 V393 A394 V395	L77-T391 HydrophobicContact CD1-CG2 4.01Å; L81-T391 HydrophobicContact CD2-CG2 3.4Å; L81-T391 VanDerWaalsContact CD2-CG2 3.4Å; L81-T391 HydrophobicContact CG-CG2 3.66Å; I387-T391 HydrophobicContact CG2-CG2 4.09Å; P388-T391 PolarHBondContact O-N 3.46Å; P388-T391 VanDerWaalsContact O-N 3.14Å; F389-T391 VanDerWaalsContact C-N 3.32Å; F389-T391 PolarHBondContact O-N 3.3Å; T391-V393 PolarHBondContact O-N 3.41Å; T391-A394 WeakPolarHBondContact O-CB 3.32Å; T391-A394 PolarHBondContact O-N 2.94Å; T391-V395 WeakPolarHBondContact O-CG2 3.48Å; T391-V395 PolarHBondContact O-N 3.32Å
392	M	86.5	Confident	88.5	Confident	48 Å²	48	59.9 Å²	59.9	24%	0.236	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-43.5	174.7	-61.7	-172.6	175.9	0	0	112	N375 I387 P388 F389 G390 A394 V395 C396	N375-M392 HydrophobicContact CB-CE 4.06Å; N375-M392 VanDerWaalsContact CG-CE 3.48Å; N375-M392 WeakPolarHBondContact ND2-CE 3.42Å; I387-M392 HydrophobicContact CB-CE 3.98Å; I387-M392 HydrophobicContact CG2-CE 4.24Å; I387-M392 HydrophobicContact CG2-CG 3.92Å; P388-M392 PolarHBondContact O-N 3.38Å; F389-M392 WeakPolarHBondContact O-CB 3.37Å; F389-M392 PolarHBondContact O-N 3.48Å; G390-M392 VanDerWaalsContact C-N 3.35Å; G390-M392 PolarHBondContact O-N 3.3Å; M392-A394 VanDerWaalsContact C-N 3.34Å; M392-V395 PolarHBondContact O-N 2.94Å; M392-C396 PolarHBondContact O-N 2.9Å; M392-C396 PolarHBondContact O-SG 3.48Å; M392-C396 VanDerWaalsContact O-SG 3.41Å
393	V	88.9	Confident	88.8	Confident	64 Å²	64	52.5 Å²	52.5	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-41.6	176	175.8	0	0	0	0	110.6	F389 G390 T391 V395 C396 C397	F389-V393 HydrophobicContact CD1-CG2 4.17Å; F389-V393 HydrophobicContact CE1-CG2 3.66Å; F389-V393 HydrophobicContact CE2-CG2 4.17Å; F389-V393 HydrophobicContact CZ-CG2 3.66Å; F389-V393 WeakPolarHBondContact O-CG2 3.49Å; F389-V393 PolarHBondContact O-N 3.02Å; F389-V393 VanDerWaalsContact O-N 3.07Å; G390-V393 PolarHBondContact O-N 2.85Å; T391-V393 PolarHBondContact O-N 3.41Å; V393-V395 PolarHBondContact O-N 3.47Å; V393-C396 WeakPolarHBondContact O-CB 3.34Å; V393-C396 PolarHBondContact O-N 3.25Å; V393-C397 PolarHBondContact O-N 3.25Å; V393-C397 PolarHBondContact O-SG 2.89Å; V393-C397 VanDerWaalsContact O-SG 3.32Å
394	A	88.3	Confident	89.3	Confident	33 Å²	33	53.7 Å²	53.7	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-59.4	-45.2	176.5	0	0	0	0	0	112.3	L77 G390 T391 M392 C396 C397 I398	L77-A394 HydrophobicContact CD1-CB 4.41Å; G390-A394 PolarHBondContact O-N 3.37Å; T391-A394 WeakPolarHBondContact O-CB 3.32Å; T391-A394 PolarHBondContact O-N 2.94Å; M392-A394 VanDerWaalsContact C-N 3.34Å; A394-C396 PolarHBondContact O-N 3.32Å; A394-C397 WeakPolarHBondContact O-CB 3.47Å; A394-C397 PolarHBondContact O-N 2.69Å; A394-I398 WeakPolarHBondContact O-CG1 3.33Å; A394-I398 PolarHBondContact O-N 3.07Å
395	V	88.1	Confident	89.9	Confident	37 Å²	37	55.9 Å²	55.9	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-41.9	176.1	174.1	0	0	0	0	111.4	L81 T391 M392 V393 C397 I398 C399	L81-V395 HydrophobicContact CD2-CG2 4.23Å; T391-V395 WeakPolarHBondContact O-CG2 3.48Å; T391-V395 PolarHBondContact O-N 3.32Å; M392-V395 PolarHBondContact O-N 2.94Å; V393-V395 PolarHBondContact O-N 3.47Å; V395-C397 VanDerWaalsContact C-N 3.34Å; V395-C397 PolarHBondContact O-N 2.91Å; V395-I398 PolarHBondContact O-N 3.09Å; V395-C399 PolarHBondContact O-N 2.95Å; V395-C399 PolarHBondContact O-SG 3.4Å
396	C	89.6	Confident	90.6	Very high	64 Å²	64	56.6 Å²	56.6	43%	0.432	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-44.3	173.1	-73.9	0	0	0	0	111.7	M392 V393 A394 I398 C399 F400	M392-C396 PolarHBondContact O-N 2.9Å; M392-C396 PolarHBondContact O-SG 3.48Å; M392-C396 VanDerWaalsContact O-SG 3.41Å; V393-C396 WeakPolarHBondContact O-CB 3.34Å; V393-C396 PolarHBondContact O-N 3.25Å; A394-C396 PolarHBondContact O-N 3.32Å; C396-I398 VanDerWaalsContact C-N 3.35Å; C396-I398 PolarHBondContact O-N 2.85Å; C396-C399 WeakPolarHBondContact O-CB 3.15Å; C396-C399 PolarHBondContact O-N 3.01Å; C396-C399 VanDerWaalsContact O-N 3.12Å; C396-F400 VanDerWaalsContact O-CD2 3.24Å; C396-F400 WeakPolarHBondContact O-CD2 3.42Å; C396-F400 PolarHBondContact O-N 2.73Å
397	C	92.6	Very high	91.1	Very high	52 Å²	52	55.4 Å²	55.4	35%	0.351	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-42.5	176.1	-72.2	0	0	0	0	112	V393 A394 V395 C399 F400 F401	V393-C397 PolarHBondContact O-N 3.25Å; V393-C397 PolarHBondContact O-SG 2.89Å; V393-C397 VanDerWaalsContact O-SG 3.32Å; A394-C397 WeakPolarHBondContact O-CB 3.47Å; A394-C397 PolarHBondContact O-N 2.69Å; V395-C397 VanDerWaalsContact C-N 3.34Å; V395-C397 PolarHBondContact O-N 2.91Å; C397-C399 VanDerWaalsContact C-N 3.29Å; C397-C399 PolarHBondContact O-N 2.96Å; C397-F400 PolarHBondContact O-N 3.36Å; C397-F401 HydrophobicContact CB-CD2 4.07Å; C397-F401 WeakPolarHBondContact O-CB 3.36Å; C397-F401 WeakPolarHBondContact O-CD2 3.38Å; C397-F401 PolarHBondContact O-N 2.72Å
398	I	92.1	Very high	91.8	Very high	40 Å²	40	57 Å²	57	21%	0.205	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-42.4	174.4	-66	166.5	0	0	0	110.3	I326 A330 A394 V395 C396 V402 I403	I326-I398 HydrophobicContact CG2-CD1 4.39Å; A330-I398 HydrophobicContact CB-CG2 4.41Å; A394-I398 WeakPolarHBondContact O-CG1 3.33Å; A394-I398 PolarHBondContact O-N 3.07Å; V395-I398 PolarHBondContact O-N 3.09Å; C396-I398 VanDerWaalsContact C-N 3.35Å; C396-I398 PolarHBondContact O-N 2.85Å; I398-V402 HydrophobicContact CG2-CB 4.43Å; I398-V402 WeakPolarHBondContact O-CA 3.42Å; I398-V402 VanDerWaalsContact O-CB 3.3Å; I398-V402 WeakPolarHBondContact O-CB 3.19Å; I398-V402 PolarHBondContact O-N 2.67Å; I398-I403 HydrophobicContact CG2-CD1 4.19Å; I398-I403 HydrophobicContact CG2-CG1 4.44Å; I398-I403 PolarHBondContact O-N 2.91Å
399	C	93.6	Very high	92.3	Very high	11 Å²	11	57.4 Å²	57.4	7%	0.074	32%	0.321	C	S	.	.	I	π-helix	trans	-63.2	-45.4	178.5	-64	0	0	0	0	112.9	F361 V395 C396 C397 L404	F361-C399 HydrophobicContact CE1-CB 4Å; V395-C399 PolarHBondContact O-N 2.95Å; V395-C399 PolarHBondContact O-SG 3.4Å; C396-C399 WeakPolarHBondContact O-CB 3.15Å; C396-C399 PolarHBondContact O-N 3.01Å; C396-C399 VanDerWaalsContact O-N 3.12Å; C397-C399 VanDerWaalsContact C-N 3.29Å; C397-C399 PolarHBondContact O-N 2.96Å; C399-L404 WeakPolarHBondContact O-CB 3.39Å; C399-L404 PolarHBondContact O-N 2.93Å
400	F	94.3	Very high	92.9	Very high	116 Å²	116	49.6 Å²	49.6	51%	0.509	29%	0.288	S	S	.	.	I	π-helix	trans	-81.3	-38.5	-176.2	-77	-71.8	0	0	0	114.2	F361 C396 C397 L404 P405	F361-F400 HydrophobicContact CE1-CD1 4.25Å; F361-F400 HydrophobicContact CE1-CE1 4.01Å; F361-F400 HydrophobicContact CE1-CZ 4.18Å; F361-F400 HydrophobicContact CE2-CE1 4.38Å; F361-F400 AromaticContact CZ-CD1 3.68Å; F361-F400 HydrophobicContact CZ-CD1 3.68Å; F361-F400 AromaticContact CZ-CE1 3.54Å; F361-F400 HydrophobicContact CZ-CE1 3.54Å; F361-F400 HydrophobicContact CZ-CG 4.41Å; F361-F400 HydrophobicContact CZ-CZ 4.16Å; C396-F400 VanDerWaalsContact O-CD2 3.24Å; C396-F400 WeakPolarHBondContact O-CD2 3.42Å; C396-F400 PolarHBondContact O-N 2.73Å; C397-F400 PolarHBondContact O-N 3.36Å; F400-L404 HydrophobicContact CD1-CD2 4.43Å; F400-P405 WeakPolarHBondContact O-CD 3.37Å
401	F	95.8	Very high	93.5	Very high	156 Å²	156	47.2 Å²	47.2	68%	0.684	26%	0.263	S	S	*	.	I	π-helix	trans	-98.8	-18.5	-172.3	-64.7	-67.4	0	0	0	114.1	C397	C397-F401 HydrophobicContact CB-CD2 4.07Å; C397-F401 WeakPolarHBondContact O-CB 3.36Å; C397-F401 WeakPolarHBondContact O-CD2 3.38Å; C397-F401 PolarHBondContact O-N 2.72Å
402	V	94.9	Very high	94.1	Very high	61 Å²	61	50 Å²	50	37%	0.37	28%	0.276	S	S	.	.	I	π-helix	trans	-114.5	-58.9	180	-172.3	0	0	0	0	110.9	A330 I398 P405 L406	A330-V402 HydrophobicContact CB-CG1 3.97Å; I398-V402 HydrophobicContact CG2-CB 4.43Å; I398-V402 WeakPolarHBondContact O-CA 3.42Å; I398-V402 VanDerWaalsContact O-CB 3.3Å; I398-V402 WeakPolarHBondContact O-CB 3.19Å; I398-V402 PolarHBondContact O-N 2.67Å; V402-P405 WeakPolarHBondContact O-CD 3.47Å; V402-L406 HydrophobicContact CG1-CD1 3.83Å; V402-L406 WeakPolarHBondContact O-CB 3.26Å; V402-L406 VanDerWaalsContact O-CG 3.23Å; V402-L406 WeakPolarHBondContact O-CG 3.28Å; V402-L406 PolarHBondContact O-N 3.34Å
403	I	96.1	Very high	94.6	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.036	29%	0.286	C	S	.	.	I	π-helix	trans	-66.1	-50.6	-174.5	-65.9	168.1	0	0	0	111	Y329 A330 S333 I398 L406 N407	Y329-I403 HydrophobicContact CD1-CD1 3.95Å; Y329-I403 HydrophobicContact CE1-CD1 3.89Å; A330-I403 HydrophobicContact CB-CG1 4.11Å; S333-I403 PolarHBondContact OG-O 3.35Å; I398-I403 HydrophobicContact CG2-CD1 4.19Å; I398-I403 HydrophobicContact CG2-CG1 4.44Å; I398-I403 PolarHBondContact O-N 2.91Å; I403-L406 PolarHBondContact O-N 2.9Å; I403-N407 VanDerWaalsContact O-CB 3.28Å; I403-N407 WeakPolarHBondContact O-CB 3.32Å; I403-N407 PolarHBondContact O-N 3.48Å
404	L	96.7	Very high	94.9	Very high	30 Å²	30	48.7 Å²	48.7	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-47.7	-176	177.5	67.4	0	0	0	113.4	M356 F357 A360 F361 C399 F400 N407 L408	M356-L404 HydrophobicContact CE-CD1 3.76Å; F357-L404 HydrophobicContact CD1-CD1 4.04Å; F357-L404 HydrophobicContact CE1-CD1 3.9Å; F357-L404 HydrophobicContact CE1-CD2 3.93Å; F357-L404 HydrophobicContact CZ-CD1 4.49Å; F357-L404 HydrophobicContact CZ-CD2 4.46Å; A360-L404 HydrophobicContact CB-CD1 4Å; F361-L404 HydrophobicContact CE2-CB 4.46Å; F361-L404 HydrophobicContact CE2-CD1 3.83Å; F361-L404 HydrophobicContact CE2-CD2 4.14Å; F361-L404 HydrophobicContact CE2-CG 4.37Å; F361-L404 HydrophobicContact CZ-CB 4.25Å; F361-L404 HydrophobicContact CZ-CD1 4.43Å; F361-L404 HydrophobicContact CZ-CD2 4.18Å; C399-L404 WeakPolarHBondContact O-CB 3.39Å; C399-L404 PolarHBondContact O-N 2.93Å; F400-L404 HydrophobicContact CD1-CD2 4.43Å; L404-N407 PolarHBondContact O-N 3.33Å; L404-L408 PolarHBondContact O-N 2.93Å
405	P	97.1	Very high	95.2	Very high	56 Å²	56	50.2 Å²	50.2	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-65.4	-41.2	176.9	-24.1	36.2	0	0	0	113.3	F400 V402 L408 V409	F400-P405 WeakPolarHBondContact O-CD 3.37Å; V402-P405 WeakPolarHBondContact O-CD 3.47Å; P405-L408 WeakPolarHBondContact O-CB 3.26Å; P405-L408 PolarHBondContact O-N 3.15Å; P405-V409 WeakPolarHBondContact O-CG2 3.49Å; P405-V409 PolarHBondContact O-N 3.07Å; P405-V409 VanDerWaalsContact O-N 3.08Å
406	L	96.7	Very high	95.5	Very high	59 Å²	59	54.3 Å²	54.3	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-40	177.7	-72.9	177	0	0	0	111.7	A330 P334 V402 I403 L408 V409 G410	A330-L406 WeakPolarHBondContact O-CD1 3.42Å; P334-L406 HydrophobicContact CG-CB 4.01Å; P334-L406 HydrophobicContact CG-CD2 4.35Å; V402-L406 HydrophobicContact CG1-CD1 3.83Å; V402-L406 WeakPolarHBondContact O-CB 3.26Å; V402-L406 VanDerWaalsContact O-CG 3.23Å; V402-L406 WeakPolarHBondContact O-CG 3.28Å; V402-L406 PolarHBondContact O-N 3.34Å; I403-L406 PolarHBondContact O-N 2.9Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L408 PolarHBondContact O-N 3.38Å; L406-V409 PolarHBondContact O-N 2.9Å; L406-G410 PolarHBondContact O-N 2.68Å
407	N	97.4	Very high	95.7	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-41.7	173.7	-164.8	48.2	0	0	0	111.7	S333 G337 M356 A360 I403 L404 V409 G410 T411	S333-N407 PolarHBondContact O-OD1 3.21Å; S333-N407 WeakPolarHBondContact OG-CB 3.2Å; S333-N407 PolarHBondContact OG-N 3.42Å; G337-N407 WeakPolarHBondContact CA-OD1 3.29Å; G337-N407 PolarHBondContact N-OD1 3.13Å; M356-N407 PolarHBondContact O-ND2 2.81Å; A360-N407 HydrophobicContact CB-CB 4.2Å; A360-N407 WeakPolarHBondContact CB-ND2 3.17Å; A360-N407 PolarHBondContact N-ND2 3.32Å; I403-N407 VanDerWaalsContact O-CB 3.28Å; I403-N407 WeakPolarHBondContact O-CB 3.32Å; I403-N407 PolarHBondContact O-N 3.48Å; L404-N407 PolarHBondContact O-N 3.33Å; N407-V409 PolarHBondContact O-N 3.09Å; N407-G410 PolarHBondContact O-N 3.47Å; N407-T411 PolarHBondContact O-N 3.04Å; N407-T411 PolarHBondContact O-OG1 3.26Å; N407-T411 VanDerWaalsContact O-OG1 3.11Å
408	L	97.8	Very high	95.7	Very high	64 Å²	64	56.7 Å²	56.7	34%	0.335	29%	0.294	S	S	.	.	H	α-helix	trans	-57.6	-47	176	171.7	66.3	0	0	0	111.4	W352 M356 L404 P405 L406 G410 T411 I412	W352-L408 HydrophobicContact CZ3-CD1 4.1Å; M356-L408 HydrophobicContact SD-CB 3.66Å; M356-L408 HydrophobicContact SD-CD1 3.37Å; M356-L408 WeakPolarHBondContact SD-CD1 3.37Å; M356-L408 HydrophobicContact SD-CG 4.08Å; L404-L408 PolarHBondContact O-N 2.93Å; P405-L408 WeakPolarHBondContact O-CB 3.26Å; P405-L408 PolarHBondContact O-N 3.15Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L408 PolarHBondContact O-N 3.38Å; L408-G410 VanDerWaalsContact C-N 3.33Å; L408-G410 PolarHBondContact O-N 3.11Å; L408-T411 PolarHBondContact O-N 3.4Å; L408-I412 HydrophobicContact CD1-CD1 3.87Å; L408-I412 HydrophobicContact CD1-CG1 4.21Å; L408-I412 HydrophobicContact CG-CD1 4.03Å; L408-I412 WeakPolarHBondContact O-CG1 3.39Å; L408-I412 PolarHBondContact O-N 3.32Å
409	V	97.6	Very high	95.6	Very high	77 Å²	77	55 Å²	55	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-48.5	175.8	173.7	0	0	0	0	110.3	P405 L406 N407 T411 I412 L413	P405-V409 WeakPolarHBondContact O-CG2 3.49Å; P405-V409 PolarHBondContact O-N 3.07Å; P405-V409 VanDerWaalsContact O-N 3.08Å; L406-V409 PolarHBondContact O-N 2.9Å; N407-V409 PolarHBondContact O-N 3.09Å; V409-T411 VanDerWaalsContact C-N 3.35Å; V409-T411 PolarHBondContact O-N 2.81Å; V409-I412 PolarHBondContact O-N 3.02Å; V409-L413 HydrophobicContact CG1-CD1 3.97Å; V409-L413 HydrophobicContact CG1-CG 4.48Å; V409-L413 WeakPolarHBondContact O-CG 3.45Å; V409-L413 PolarHBondContact O-N 2.89Å
410	G	97.2	Very high	95.4	Very high	1 Å²	1	62 Å²	62	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-55.2	-47.1	174.8	0	0	0	0	0	112.9	P334 G337 Y338 L406 N407 L408 I412 L413 G414	P334-G410 VanDerWaalsContact O-CA 3.3Å; P334-G410 WeakPolarHBondContact O-CA 3.36Å; G337-G410 CarbonylContact C-O 3.36Å; Y338-G410 WeakPolarHBondContact CA-O 3.43Å; Y338-G410 PolarHBondContact N-O 3.36Å; L406-G410 PolarHBondContact O-N 2.68Å; N407-G410 PolarHBondContact O-N 3.47Å; L408-G410 VanDerWaalsContact C-N 3.33Å; L408-G410 PolarHBondContact O-N 3.11Å; G410-I412 PolarHBondContact O-N 3.17Å; G410-L413 PolarHBondContact O-N 3.41Å; G410-G414 PolarHBondContact O-N 3.33Å
411	T	97.2	Very high	95	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-43.5	179.5	-60.7	0	0	0	0	112.6	G337 W352 M356 N407 L408 V409 R415	G337-T411 VanDerWaalsContact CA-OG1 3.31Å; G337-T411 WeakPolarHBondContact CA-OG1 2.99Å; G337-T411 VanDerWaalsContact O-CA 3.23Å; G337-T411 WeakPolarHBondContact O-CA 3.38Å; G337-T411 PolarHBondContact O-OG1 3.45Å; W352-T411 HydrophobicContact CE3-CG2 4.29Å; M356-T411 HydrophobicContact CB-CG2 4.21Å; M356-T411 HydrophobicContact CG-CG2 4.47Å; N407-T411 PolarHBondContact O-N 3.04Å; N407-T411 PolarHBondContact O-OG1 3.26Å; N407-T411 VanDerWaalsContact O-OG1 3.11Å; L408-T411 PolarHBondContact O-N 3.4Å; V409-T411 VanDerWaalsContact C-N 3.35Å; V409-T411 PolarHBondContact O-N 2.81Å; T411-R415 HydrophobicContact CG2-CG 4.41Å; T411-R415 WeakPolarHBondContact O-CB 3.35Å; T411-R415 WeakPolarHBondContact O-CG 3.46Å; T411-R415 PolarHBondContact O-N 3.23Å; T411-R415 VanDerWaalsContact O-N 3.09Å
412	I	97.2	Very high	94.5	Very high	73 Å²	73	57.8 Å²	57.8	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-46.3	177.7	-66.4	168	0	0	0	110.1	L408 V409 G410 R415 N416	L408-I412 HydrophobicContact CD1-CD1 3.87Å; L408-I412 HydrophobicContact CD1-CG1 4.21Å; L408-I412 HydrophobicContact CG-CD1 4.03Å; L408-I412 WeakPolarHBondContact O-CG1 3.39Å; L408-I412 PolarHBondContact O-N 3.32Å; V409-I412 PolarHBondContact O-N 3.02Å; G410-I412 PolarHBondContact O-N 3.17Å; I412-R415 PolarHBondContact O-N 3.47Å; I412-N416 WeakPolarHBondContact O-CB 3.41Å; I412-N416 PolarHBondContact O-N 3.15Å; I412-N416 PolarHBondContact O-ND2 3.44Å
413	L	96.8	Very high	94.1	Very high	85 Å²	85	58.6 Å²	58.6	45%	0.445	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-47.6	178.2	-70	174.8	0	0	0	112.1	Y338 V409 G410 R415 N416 L417	Y338-L413 HydrophobicContact CD2-CB 4.25Å; V409-L413 HydrophobicContact CG1-CD1 3.97Å; V409-L413 HydrophobicContact CG1-CG 4.48Å; V409-L413 WeakPolarHBondContact O-CG 3.45Å; V409-L413 PolarHBondContact O-N 2.89Å; G410-L413 PolarHBondContact O-N 3.41Å; L413-R415 VanDerWaalsContact C-N 3.32Å; L413-R415 PolarHBondContact O-N 3.21Å; L413-N416 PolarHBondContact O-N 3.39Å; L413-L417 VanDerWaalsContact O-CB 3.3Å; L413-L417 WeakPolarHBondContact O-CB 3.46Å; L413-L417 WeakPolarHBondContact O-CG 3.36Å; L413-L417 PolarHBondContact O-N 3.09Å
414	G	96	Very high	93.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-39.6	-179.3	0	0	0	0	0	113	S342 G410 S418 G419	S342-G414 WeakPolarHBondContact CA-O 3.31Å; S342-G414 WeakPolarHBondContact CB-O 3.38Å; G410-G414 PolarHBondContact O-N 3.33Å; G414-S418 CarbonylContact O-C 3.57Å; G414-S418 VanDerWaalsContact O-C 3.31Å; G414-S418 WeakPolarHBondContact O-CA 3.42Å; G414-S418 PolarHBondContact O-N 2.88Å; G414-G419 PolarHBondContact O-N 3.15Å; G414-G419 VanDerWaalsContact O-N 3.13Å
415	R	95.1	Very high	93	Very high	64 Å²	64	59.6 Å²	59.6	24%	0.242	32%	0.32	C	S	.	.	H	α-helix	trans	-70.4	-40.1	178.3	-69.7	-178.2	73.4	-144.4	2.4	112.7	G341 A345 W352 T411 I412 L413 G419	G341-R415 VanDerWaalsContact O-CG 3.28Å; G341-R415 WeakPolarHBondContact O-CG 3.49Å; A345-R415 HydrophobicContact CB-CB 4.43Å; A345-R415 HydrophobicContact CB-CG 4.04Å; W352-R415 VanDerWaalsContact CD1-CZ 3.47Å; W352-R415 VanDerWaalsContact CE2-NH1 3.26Å; T411-R415 HydrophobicContact CG2-CG 4.41Å; T411-R415 WeakPolarHBondContact O-CB 3.35Å; T411-R415 WeakPolarHBondContact O-CG 3.46Å; T411-R415 PolarHBondContact O-N 3.23Å; T411-R415 VanDerWaalsContact O-N 3.09Å; I412-R415 PolarHBondContact O-N 3.47Å; L413-R415 VanDerWaalsContact C-N 3.32Å; L413-R415 PolarHBondContact O-N 3.21Å; R415-G419 WeakPolarHBondContact O-CA 3.38Å; R415-G419 PolarHBondContact O-N 3.29Å; R415-G419 VanDerWaalsContact O-N 3.07Å
416	N	94.6	Very high	92.5	Very high	124 Å²	124	67.4 Å²	67.4	66%	0.663	34%	0.342	S	S	*	.	H	α-helix	trans	-77.9	-41.2	-177.8	-69.4	-15.8	0	0	0	112.3	I412 L413	I412-N416 WeakPolarHBondContact O-CB 3.41Å; I412-N416 PolarHBondContact O-N 3.15Å; I412-N416 PolarHBondContact O-ND2 3.44Å; L413-N416 PolarHBondContact O-N 3.39Å
417	L	94.1	Very high	92.1	Very high	126 Å²	126	66.9 Å²	66.9	66%	0.66	34%	0.342	S	S	*	.	H	α-helix	trans	-83.3	-38.2	-175.6	-65	174.9	0	0	0	113.1	Y338 L413	Y338-L417 HydrophobicContact CE2-CB 4.5Å; Y338-L417 HydrophobicContact CE2-CD1 4.32Å; L413-L417 VanDerWaalsContact O-CB 3.3Å; L413-L417 WeakPolarHBondContact O-CB 3.46Å; L413-L417 WeakPolarHBondContact O-CG 3.36Å; L413-L417 PolarHBondContact O-N 3.09Å
418	S	91.8	Very high	91.6	Very high	39 Å²	39	70.6 Å²	70.6	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-131.8	14.9	-172	-71.6	0	0	0	0	112.7	Y338 S342 K346 G414	Y338-S418 PolarHBondContact OH-OG 3.27Å; S342-S418 WeakPolarHBondContact OG-CB 3.48Å; S342-S418 PolarHBondContact OG-O 3.3Å; K346-S418 WeakPolarHBondContact CE-O 3.46Å; G414-S418 CarbonylContact O-C 3.57Å; G414-S418 VanDerWaalsContact O-C 3.31Å; G414-S418 WeakPolarHBondContact O-CA 3.42Å; G414-S418 PolarHBondContact O-N 2.88Å
419	G	88.8	Confident	91	Very high	6 Å²	6	72.2 Å²	72.2	6%	0.062	38%	0.384	C	S	.	.			trans	-83.3	-10.4	-177.3	0	0	0	0	0	115.3	A345 K346 G414 R415	A345-G419 CarbonylContact C-O 3.58Å; A345-G419 VanDerWaalsContact C-O 3.25Å; K346-G419 WeakPolarHBondContact CA-O 3.46Å; K346-G419 PolarHBondContact N-O 3.47Å; K346-G419 VanDerWaalsContact N-O 3.16Å; G414-G419 PolarHBondContact O-N 3.15Å; G414-G419 VanDerWaalsContact O-N 3.13Å; R415-G419 WeakPolarHBondContact O-CA 3.38Å; R415-G419 PolarHBondContact O-N 3.29Å; R415-G419 VanDerWaalsContact O-N 3.07Å
420	Q	90.1	Very high	90.5	Very high	156 Å²	156	74.2 Å²	74.2	73%	0.729	40%	0.396	S	S	*	.	S	Bend	trans	-75.4	129.7	-178.9	-65.1	-65.5	-9.3	0	0	111.1	N422	Q420-N422 PolarHBondContact O-N 3.04Å
421	P	86.2	Confident	90	Very high	68 Å²	68	77.3 Å²	77.3	44%	0.442	42%	0.416	S	S	.	.			trans	-66.8	123.2	173.5	25.6	-30.2	0	0	0	110.1	F423	P421-F423 HydrophobicContact CB-CD2 4.03Å; P421-F423 HydrophobicContact CB-CE2 3.51Å; P421-F423 HydrophobicContact CB-CZ 3.86Å
422	N	85.3	Confident	89.4	Confident	117 Å²	117	81.1 Å²	81.1	63%	0.626	43%	0.431	S	S	*	.			trans	-128.8	78.6	174	-173.9	2.4	0	0	0	108.7	Q420 R577	Q420-N422 PolarHBondContact O-N 3.04Å; N422-R577 PolarHBondContact O-NH2 3.11Å
423	F	86.6	Confident	89	Confident	77 Å²	77	82.9 Å²	82.9	34%	0.338	45%	0.447	S	S	.	.			trans	-89.2	133.5	-177.9	-57.5	-52.3	0	0	0	110.4	F279 P421 C425 V427	F279-F423 HydrophobicContact CB-CB 4.02Å; F279-F423 HydrophobicContact CB-CD1 3.55Å; F279-F423 HydrophobicContact CB-CD2 4.33Å; F279-F423 HydrophobicContact CB-CE1 4.04Å; F279-F423 HydrophobicContact CB-CG 3.71Å; F279-F423 AromaticContact CD1-CD1 3.76Å; F279-F423 HydrophobicContact CD1-CD1 3.76Å; F279-F423 HydrophobicContact CD1-CE1 4.41Å; F279-F423 HydrophobicContact CD1-CG 4.49Å; F279-F423 HydrophobicContact CD2-CB 4.31Å; F279-F423 HydrophobicContact CG-CB 4.04Å; F279-F423 AromaticContact CG-CD1 3.81Å; F279-F423 HydrophobicContact CG-CD1 3.81Å; F279-F423 HydrophobicContact CG-CG 4.12Å; P421-F423 HydrophobicContact CB-CD2 4.03Å; P421-F423 HydrophobicContact CB-CE2 3.51Å; P421-F423 HydrophobicContact CB-CZ 3.86Å; F423-C425 VanDerWaalsContact C-N 3.26Å; F423-C425 PolarHBondContact O-N 3.32Å; F423-V427 HydrophobicContact CD2-CG2 4.04Å
424	P	85.2	Confident	88.6	Confident	48 Å²	48	81.3 Å²	81.3	31%	0.312	44%	0.438	S	S	.	.	S	Bend	trans	-59.8	-32.9	177.4	-24.9	32.9	0	0	0	114.3	F279 R577 T581	F279-P424 HydrophobicContact CE1-CG 4.42Å; F279-P424 HydrophobicContact CE2-CB 4.29Å; F279-P424 HydrophobicContact CE2-CG 4.08Å; F279-P424 HydrophobicContact CZ-CB 4.42Å; F279-P424 HydrophobicContact CZ-CG 3.76Å; P424-R577 HydrophobicContact CG-CB 4.45Å; P424-T581 WeakPolarHBondContact CG-OG1 3.49Å
425	C	84.3	Confident	88.2	Confident	10 Å²	10	83.9 Å²	83.9	7%	0.068	46%	0.455	C	S	.	.	S	Bend	trans	-119.4	151.6	-177.5	-53.6	0	0	0	0	110.5	H275 F279 F423 V427 I585	H275-C425 WeakPolarHBondContact O-CB 3.4Å; F279-C425 HydrophobicContact CD2-CB 4.36Å; F279-C425 HydrophobicContact CE2-CB 4.37Å; F423-C425 VanDerWaalsContact C-N 3.26Å; F423-C425 PolarHBondContact O-N 3.32Å; C425-V427 PolarHBondContact O-N 3.16Å; C425-I585 HydrophobicContact CB-CD1 4.32Å
426	R	85.8	Confident	87.7	Confident	221 Å²	221	90.5 Å²	90.5	83%	0.834	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-65.1	131	172.1	-177	178.7	179.3	178.3	-0.3	109.6	G276	G276-R426 WeakPolarHBondContact CA-O 3.33Å
427	V	88.4	Confident	87.2	Confident	48 Å²	48	86.6 Å²	86.6	29%	0.291	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-84.2	127.5	176.9	-175.9	0	0	0	0	109.9	G276 F279 R280 F423 C425	G276-V427 CarbonylContact O-C 3.58Å; G276-V427 VanDerWaalsContact O-CA 3.3Å; G276-V427 WeakPolarHBondContact O-CA 3.45Å; F279-V427 HydrophobicContact CB-CG2 3.87Å; R280-V427 HydrophobicContact CG-CG1 3.62Å; F423-V427 HydrophobicContact CD2-CG2 4.04Å; C425-V427 PolarHBondContact O-N 3.16Å
428	N	87.3	Confident	86.9	Confident	78 Å²	78	87.6 Å²	87.6	42%	0.417	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-66.9	148.8	176.4	-73.6	-23	0	0	0	110.9	G276 R280	G276-N428 PolarHBondContact O-N 3.26Å; R280-N428 VanDerWaalsContact CZ-O 3.28Å; R280-N428 PolarHBondContact NH2-O 2.99Å
429	A	84.9	Confident	86.7	Confident	99 Å²	99	95 Å²	95	82%	0.818	49%	0.487	S	S	*	.	S	Bend	trans	-73.4	-49	176.6	0	0	0	0	0	111	R280	R280-A429 PolarHBondContact NH1-O 2.92Å
430	V	86.8	Confident	86.5	Confident	118 Å²	118	99 Å²	99	72%	0.715	50%	0.503	S	S	*	.	S	Bend	trans	-95.5	126.2	-177	-177.9	0	0	0	0	109.9	R280	R280-V430 PolarHBondContact NH2-O 3.47Å
431	P	86.8	Confident	86.1	Confident	67 Å²	67	93.2 Å²	93.2	44%	0.435	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-68.7	136.2	180	26.4	-31.7	0	0	0	111.2	R280 Y509	R280-P431 VanDerWaalsContact CZ-CA 3.49Å; R280-P431 VanDerWaalsContact NH2-N 3.13Å; P431-Y509 WeakPolarHBondContact CB-OH 3.32Å
432	R	86.5	Confident	86.3	Confident	80 Å²	80	93.8 Å²	93.8	30%	0.302	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-67.6	141.8	172.6	-169.3	177.9	178.1	-133	-6.2	110.9	Q273 D277 E507	Q273-R432 VanDerWaalsContact OE1-CZ 3.25Å; D277-R432 WeakPolarHBondContact OD2-CB 3.24Å; D277-R432 PolarHBondContact OD2-N 2.99Å; D277-R432 VanDerWaalsContact OD2-N 3.1Å; R432-E507 IonicContact CZ-OE2 3Å; R432-E507 IonicContact NH1-OE2 3.12Å; R432-E507 PolarHBondContact NH1-OE2 2.95Å; R432-E507 IonicContact NH2-OE2 3.55Å; R432-E507 PolarHBondContact NH2-OE2 3.21Å
433	P	87.4	Confident	86.6	Confident	110 Å²	110	89.5 Å²	89.5	71%	0.714	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-63.6	136.8	170.2	26.3	-34.1	0	0	0	110.5
434	I	88.4	Confident	86.9	Confident	51 Å²	51	89.1 Å²	89.1	26%	0.262	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-84.5	127.2	178.8	-59.6	168.1	0	0	0	107.7	D508 Y509 R510	I434-D508 HydrophobicContact CG2-CB 4.06Å; I434-Y509 HydrophobicContact CD1-CE1 4.28Å; I434-Y509 HydrophobicContact CG1-CD1 4.48Å; I434-Y509 HydrophobicContact CG1-CE1 4.05Å; I434-R510 VanDerWaalsContact CD1-CZ 3.47Å
435	P	87.2	Confident	87.3	Confident	55 Å²	55	88.7 Å²	88.7	36%	0.357	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-67.4	161	179.4	28.5	-34.5	0	0	0	111.8	K437 E507	P435-K437 PolarHBondContact O-N 3.42Å; P435-E507 HydrophobicContact CG-CB 3.83Å; P435-E507 HydrophobicContact CG-CG 4.5Å
436	E	84.8	Confident	87.7	Confident	203 Å²	203	88.7 Å²	88.7	95%	0.949	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-64.7	127.8	172	-66.9	-172.5	175	0	0	110.2
437	K	84.3	Confident	88.1	Confident	41 Å²	41	79.4 Å²	79.4	18%	0.178	43%	0.426	C	S	.	.			trans	-110.5	155.6	-176.8	59.2	-167.1	157.9	177.6	0	111	P435 M441 E442 A506 D508	P435-K437 PolarHBondContact O-N 3.42Å; K437-M441 HydrophobicContact CB-CB 4.26Å; K437-E442 WeakPolarHBondContact CE-OE1 3.38Å; K437-E442 WeakPolarHBondContact CE-OE2 3.41Å; K437-E442 WeakPolarHBondContact CG-OE1 3.46Å; K437-E442 IonicContact NZ-OE2 3.04Å; K437-E442 PolarHBondContact NZ-OE2 2.74Å; K437-A506 HydrophobicContact CB-CB 4.36Å; K437-D508 IonicContact NZ-OD2 3.19Å; K437-D508 PolarHBondContact NZ-OD2 2.82Å
438	K	87.4	Confident	88.3	Confident	148 Å²	148	80.6 Å²	80.6	64%	0.643	44%	0.436	S	S	*	.			trans	-65.3	150.2	174.4	-61.1	-179	-177.7	-180	0	109.8	F440 M441	K438-F440 HydrophobicContact CB-CD1 3.89Å; K438-F440 HydrophobicContact CB-CE1 3.53Å; K438-F440 HydrophobicContact CB-CZ 4.02Å; K438-F440 HydrophobicContact CD-CE1 3.53Å; K438-F440 HydrophobicContact CD-CZ 3.64Å; K438-F440 HydrophobicContact CG-CE1 4.15Å; K438-F440 HydrophobicContact CG-CZ 4.45Å; K438-F440 PolarHBondContact O-N 3.33Å; K438-M441 WeakPolarHBondContact O-CB 3.46Å; K438-M441 PolarHBondContact O-N 3.02Å
439	W	87.6	Confident	88.5	Confident	195 Å²	195	81.8 Å²	81.8	74%	0.739	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-52	-36.9	-175.7	76.9	-89.1	0	0	0	114.3	M441 E442 V445	W439-M441 VanDerWaalsContact C-N 3.3Å; W439-M441 PolarHBondContact O-N 3.5Å; W439-E442 WeakPolarHBondContact O-CB 3.48Å; W439-E442 PolarHBondContact O-N 2.95Å; W439-V445 HydrophobicContact CE3-CG2 4.35Å; W439-V445 HydrophobicContact CZ3-CG1 4.27Å
440	F	84.7	Confident	88.8	Confident	88 Å²	88	77.1 Å²	77.1	39%	0.386	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-78	-12.6	-179.4	63.8	-94.3	0	0	0	114.1	K438	K438-F440 HydrophobicContact CB-CD1 3.89Å; K438-F440 HydrophobicContact CB-CE1 3.53Å; K438-F440 HydrophobicContact CB-CZ 4.02Å; K438-F440 HydrophobicContact CD-CE1 3.53Å; K438-F440 HydrophobicContact CD-CZ 3.64Å; K438-F440 HydrophobicContact CG-CE1 4.15Å; K438-F440 HydrophobicContact CG-CZ 4.45Å; K438-F440 PolarHBondContact O-N 3.33Å
441	M	83.1	Confident	89.1	Confident	36 Å²	36	71.5 Å²	71.5	18%	0.177	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-92.8	2.7	173.3	-63	-57.8	-158.2	0	0	112.2	K437 K438 W439 I446 F502 A506	K437-M441 HydrophobicContact CB-CB 4.26Å; K438-M441 WeakPolarHBondContact O-CB 3.46Å; K438-M441 PolarHBondContact O-N 3.02Å; W439-M441 VanDerWaalsContact C-N 3.3Å; W439-M441 PolarHBondContact O-N 3.5Å; M441-I446 WeakPolarHBondContact O-CD1 3.26Å; M441-F502 HydrophobicContact CE-CB 4.49Å; M441-F502 HydrophobicContact CE-CD1 3.76Å; M441-F502 HydrophobicContact CE-CE1 4.48Å; M441-F502 HydrophobicContact CE-CG 4.49Å; M441-F502 HydrophobicContact SD-CB 4.05Å; M441-F502 HydrophobicContact SD-CD1 4.28Å; M441-F502 HydrophobicContact SD-CG 4.46Å; M441-A506 HydrophobicContact CB-CB 4.14Å; M441-A506 HydrophobicContact CG-CB 4.48Å
442	E	90.6	Very high	89.3	Confident	80 Å²	80	72 Å²	72	37%	0.374	37%	0.367	S	S	.	.	S	Bend	trans	-65.9	135.7	173.4	-77.6	-64.5	160.3	0	0	111.3	K437 W439 A444 V445 I446	K437-E442 WeakPolarHBondContact CE-OE1 3.38Å; K437-E442 WeakPolarHBondContact CE-OE2 3.41Å; K437-E442 WeakPolarHBondContact CG-OE1 3.46Å; K437-E442 IonicContact NZ-OE2 3.04Å; K437-E442 PolarHBondContact NZ-OE2 2.74Å; W439-E442 WeakPolarHBondContact O-CB 3.48Å; W439-E442 PolarHBondContact O-N 2.95Å; E442-A444 PolarHBondContact O-N 3.44Å; E442-A444 VanDerWaalsContact O-N 3.13Å; E442-V445 HydrophobicContact CB-CG2 4.24Å; E442-V445 PolarHBondContact O-N 3.28Å; E442-I446 WeakPolarHBondContact O-CG1 3.08Å; E442-I446 PolarHBondContact O-N 2.83Å
443	P	90.6	Very high	89.5	Confident	26 Å²	26	71.1 Å²	71.1	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-53.7	-37.2	-179.1	-29.2	33.9	0	0	0	112.9	V445 I446 V447 L503 T514	P443-V445 PolarHBondContact O-N 3.19Å; P443-I446 PolarHBondContact O-N 2.64Å; P443-V447 VanDerWaalsContact O-CB 3.27Å; P443-V447 WeakPolarHBondContact O-CB 3.4Å; P443-V447 WeakPolarHBondContact O-CG2 3.45Å; P443-V447 PolarHBondContact O-N 3.33Å; P443-L503 HydrophobicContact CG-CD1 3.89Å; P443-T514 HydrophobicContact CB-CG2 4.26Å
444	A	92.5	Very high	89.8	Confident	69 Å²	69	66 Å²	66	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-62.1	-43.9	177.9	0	0	0	0	0	112.1	E442 V447 C448	E442-A444 PolarHBondContact O-N 3.44Å; E442-A444 VanDerWaalsContact O-N 3.13Å; A444-V447 PolarHBondContact O-N 3.08Å; A444-C448 PolarHBondContact O-N 3.35Å; A444-C448 PolarHBondContact O-SG 3.43Å
445	V	93.5	Very high	90	Very high	39 Å²	39	65.1 Å²	65.1	24%	0.236	33%	0.329	C	S	.	.	H	α-helix	trans	-68.1	-43.6	178.6	-178.6	0	0	0	0	110.3	W439 E442 P443 V447 C448 L449	W439-V445 HydrophobicContact CE3-CG2 4.35Å; W439-V445 HydrophobicContact CZ3-CG1 4.27Å; E442-V445 HydrophobicContact CB-CG2 4.24Å; E442-V445 PolarHBondContact O-N 3.28Å; P443-V445 PolarHBondContact O-N 3.19Å; V445-V447 VanDerWaalsContact C-N 3.33Å; V445-V447 PolarHBondContact O-N 3.22Å; V445-C448 PolarHBondContact O-N 3.18Å; V445-L449 HydrophobicContact CG1-CD1 3.92Å; V445-L449 HydrophobicContact CG1-CG 4.4Å; V445-L449 WeakPolarHBondContact O-CG 3.49Å; V445-L449 PolarHBondContact O-N 3.45Å
446	I	92.3	Very high	90.2	Very high	11 Å²	11	64.4 Å²	64.4	6%	0.056	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-44	176.1	-64.4	173.3	0	0	0	111	M441 E442 P443 L449 G450 C499 L503 T514	M441-I446 WeakPolarHBondContact O-CD1 3.26Å; E442-I446 WeakPolarHBondContact O-CG1 3.08Å; E442-I446 PolarHBondContact O-N 2.83Å; P443-I446 PolarHBondContact O-N 2.64Å; I446-L449 PolarHBondContact O-N 3Å; I446-G450 PolarHBondContact O-N 3.44Å; I446-C499 HydrophobicContact CG2-CB 3.44Å; I446-C499 VanDerWaalsContact CG2-CB 3.44Å; I446-L503 HydrophobicContact CD1-CB 4.29Å; I446-L503 HydrophobicContact CD1-CD1 4.21Å; I446-T514 HydrophobicContact CG2-CG2 4.12Å
447	V	94.9	Very high	90.4	Very high	25 Å²	25	55 Å²	55	15%	0.152	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-46.9	178.9	163	0	0	0	0	111.2	P443 A444 V445 G450 T514 L517 S521	P443-V447 VanDerWaalsContact O-CB 3.27Å; P443-V447 WeakPolarHBondContact O-CB 3.4Å; P443-V447 WeakPolarHBondContact O-CG2 3.45Å; P443-V447 PolarHBondContact O-N 3.33Å; A444-V447 PolarHBondContact O-N 3.08Å; V445-V447 VanDerWaalsContact C-N 3.33Å; V445-V447 PolarHBondContact O-N 3.22Å; V447-G450 PolarHBondContact O-N 2.9Å; V447-T514 HydrophobicContact CG2-CG2 4.15Å; V447-L517 HydrophobicContact CB-CB 4.44Å; V447-L517 HydrophobicContact CG1-CB 3.83Å; V447-L517 HydrophobicContact CG2-CB 3.66Å; V447-S521 VanDerWaalsContact O-CB 3.23Å; V447-S521 WeakPolarHBondContact O-CB 3.22Å; V447-S521 PolarHBondContact O-OG 2.9Å
448	C	93.7	Very high	90.7	Very high	74 Å²	74	53.3 Å²	53.3	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-51.6	176.6	-71.2	0	0	0	0	110.8	A444 V445 G450 Y525	A444-C448 PolarHBondContact O-N 3.35Å; A444-C448 PolarHBondContact O-SG 3.43Å; V445-C448 PolarHBondContact O-N 3.18Å; C448-G450 VanDerWaalsContact C-N 3.32Å; C448-G450 PolarHBondContact O-N 3Å; C448-Y525 WeakPolarHBondContact O-CE2 3.23Å; C448-Y525 PolarHBondContact O-OH 3.47Å
449	L	91.4	Very high	90.8	Very high	102 Å²	102	50.4 Å²	50.4	53%	0.534	27%	0.269	S	S	.	.	H	α-helix	trans	-66.8	-31	-177.3	-66.3	176.6	0	0	0	113.6	V445 I446 G451 I452	V445-L449 HydrophobicContact CG1-CD1 3.92Å; V445-L449 HydrophobicContact CG1-CG 4.4Å; V445-L449 WeakPolarHBondContact O-CG 3.49Å; V445-L449 PolarHBondContact O-N 3.45Å; I446-L449 PolarHBondContact O-N 3Å; L449-G451 VanDerWaalsContact C-N 3.25Å; L449-G451 PolarHBondContact O-N 3.24Å; L449-I452 HydrophobicContact CD2-CD1 3.84Å; L449-I452 PolarHBondContact O-N 3.02Å
450	G	90.9	Very high	90.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-30.3	-177.7	0	0	0	0	0	114.3	I446 V447 C448 P454 V495 S518	I446-G450 PolarHBondContact O-N 3.44Å; V447-G450 PolarHBondContact O-N 2.9Å; C448-G450 VanDerWaalsContact C-N 3.32Å; C448-G450 PolarHBondContact O-N 3Å; G450-P454 WeakPolarHBondContact O-CD 3.33Å; G450-V495 VanDerWaalsContact O-CG1 3.24Å; G450-V495 WeakPolarHBondContact O-CG1 3.26Å; G450-S518 CarbonylContact C-O 3.52Å
451	G	91.8	Very high	90.8	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.3	-175.6	0	0	0	0	0	114.8	L449 P454 F455 S518 S521 T522	L449-G451 VanDerWaalsContact C-N 3.25Å; L449-G451 PolarHBondContact O-N 3.24Å; G451-P454 WeakPolarHBondContact O-CD 3.44Å; G451-F455 VanDerWaalsContact O-CB 3.26Å; G451-F455 WeakPolarHBondContact O-CB 3.29Å; G451-F455 PolarHBondContact O-N 2.9Å; G451-F455 VanDerWaalsContact O-N 3.11Å; G451-S518 PolarHBondContact N-O 2.87Å; G451-S521 WeakPolarHBondContact CA-OG 3.24Å; G451-S521 PolarHBondContact N-OG 2.88Å; G451-T522 PolarHBondContact O-OG1 2.93Å
452	I	92.3	Very high	91.1	Very high	77 Å²	77	37.7 Å²	37.7	40%	0.395	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-47.8	-173	-62.4	174.9	0	0	0	111.2	L449 F455 G456 Y525	L449-I452 HydrophobicContact CD2-CD1 3.84Å; L449-I452 PolarHBondContact O-N 3.02Å; I452-F455 PolarHBondContact O-N 3.48Å; I452-G456 PolarHBondContact O-N 3.47Å; I452-Y525 HydrophobicContact CG1-CE1 3.99Å; I452-Y525 HydrophobicContact CG1-CE2 3.93Å; I452-Y525 VanDerWaalsContact CG1-CZ 3.45Å; I452-Y525 WeakPolarHBondContact CG1-OH 3.46Å
453	L	89.9	Confident	91	Very high	63 Å²	63	37.3 Å²	37.3	33%	0.33	22%	0.215	S	C	.	.	H	α-helix	trans	-70.4	-46.9	-175.1	-65.5	170.6	0	0	0	112.8	M229 L233 F455 G456 S457 V495	M229-L453 HydrophobicContact CE-CD2 3.55Å; L233-L453 HydrophobicContact CD1-CD1 4.34Å; L233-L453 HydrophobicContact CD2-CD1 3.74Å; L453-F455 VanDerWaalsContact C-N 3.28Å; L453-F455 PolarHBondContact O-N 3.41Å; L453-G456 PolarHBondContact O-N 2.93Å; L453-S457 PolarHBondContact O-N 3.35Å; L453-S457 VanDerWaalsContact O-N 3.09Å; L453-V495 HydrophobicContact CB-CG2 3.96Å; L453-V495 HydrophobicContact CD1-CG2 3.89Å
454	P	93.1	Very high	90.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-37.5	173.3	-16	26	0	0	0	112.4	G450 G451 S457 I458 L488 V491 T492 V495 T522	G450-P454 WeakPolarHBondContact O-CD 3.33Å; G451-P454 WeakPolarHBondContact O-CD 3.44Å; P454-S457 PolarHBondContact O-N 2.73Å; P454-S457 PolarHBondContact O-OG 2.97Å; P454-I458 PolarHBondContact O-N 2.89Å; P454-L488 HydrophobicContact CB-CD1 3.95Å; P454-V491 HydrophobicContact CB-CG1 4.08Å; P454-V491 HydrophobicContact CG-CG1 4.02Å; P454-T492 HydrophobicContact CB-CG2 3.76Å; P454-T492 HydrophobicContact CG-CG2 3.99Å; P454-V495 HydrophobicContact CG-CG2 4.49Å; P454-T522 HydrophobicContact CB-CG2 4.05Å; P454-T522 WeakPolarHBondContact CB-OG1 3.35Å
455	F	93.5	Very high	90.6	Very high	33 Å²	33	34.6 Å²	34.6	15%	0.145	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-46.6	173.9	173	-110.2	0	0	0	111.9	G451 I452 L453 S457 I458 F459 T522 Y525 V526 Y529	G451-F455 VanDerWaalsContact O-CB 3.26Å; G451-F455 WeakPolarHBondContact O-CB 3.29Å; G451-F455 PolarHBondContact O-N 2.9Å; G451-F455 VanDerWaalsContact O-N 3.11Å; I452-F455 PolarHBondContact O-N 3.48Å; L453-F455 VanDerWaalsContact C-N 3.28Å; L453-F455 PolarHBondContact O-N 3.41Å; F455-S457 PolarHBondContact O-N 2.74Å; F455-I458 WeakPolarHBondContact O-CG1 3.28Å; F455-I458 PolarHBondContact O-N 2.96Å; F455-I458 VanDerWaalsContact O-N 3.1Å; F455-F459 AromaticContact CE1-CD2 3.86Å; F455-F459 HydrophobicContact CE1-CD2 3.86Å; F455-F459 HydrophobicContact CE1-CE2 4.41Å; F455-F459 HydrophobicContact CE2-CD2 4.15Å; F455-F459 AromaticContact CZ-CD2 3.48Å; F455-F459 HydrophobicContact CZ-CD2 3.48Å; F455-F459 VanDerWaalsContact CZ-CD2 3.48Å; F455-F459 AromaticContact CZ-CE2 3.99Å; F455-F459 HydrophobicContact CZ-CE2 3.99Å; F455-F459 PolarHBondContact O-N 2.65Å; F455-T522 HydrophobicContact CB-CG2 4.21Å; F455-Y525 HydrophobicContact CB-CG 4.3Å; F455-Y525 HydrophobicContact CD1-CG 4.38Å; F455-Y525 VanDerWaalsContact CG-CB 3.48Å; F455-Y525 HydrophobicContact CG-CG 4.27Å; F455-V526 HydrophobicContact CD2-CG2 3.79Å; F455-V526 HydrophobicContact CE2-CG2 4.09Å; F455-Y529 HydrophobicContact CZ-CG 4.33Å
456	G	90.4	Very high	90.4	Very high	41 Å²	41	32.8 Å²	32.8	42%	0.423	18%	0.178	S	C	.	.	H	α-helix	trans	-57.2	-35.8	176.3	0	0	0	0	0	113.2	I452 L453 I458	I452-G456 PolarHBondContact O-N 3.47Å; L453-G456 PolarHBondContact O-N 2.93Å; G456-I458 VanDerWaalsContact C-N 3.3Å; G456-I458 PolarHBondContact O-N 3.47Å
457	S	89	Confident	90.1	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-72.3	-16.3	178.6	72.7	0	0	0	0	115.1	S226 L453 P454 F455	S226-S457 WeakPolarHBondContact CB-O 3.46Å; S226-S457 PolarHBondContact OG-O 3.13Å; L453-S457 PolarHBondContact O-N 3.35Å; L453-S457 VanDerWaalsContact O-N 3.09Å; P454-S457 PolarHBondContact O-N 2.73Å; P454-S457 PolarHBondContact O-OG 2.97Å; F455-S457 PolarHBondContact O-N 2.74Å
458	I	91.2	Very high	89.7	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.036	18%	0.175	C	C	.	.	H	α-helix	trans	-116.7	-1.5	179.3	66.8	175	0	0	0	112.7	P454 F455 G456 I460 E461 M462 V484 L488 T522 V526 L560	P454-I458 PolarHBondContact O-N 2.89Å; F455-I458 WeakPolarHBondContact O-CG1 3.28Å; F455-I458 PolarHBondContact O-N 2.96Å; F455-I458 VanDerWaalsContact O-N 3.1Å; G456-I458 VanDerWaalsContact C-N 3.3Å; G456-I458 PolarHBondContact O-N 3.47Å; I458-I460 PolarHBondContact O-N 3.45Å; I458-E461 PolarHBondContact O-N 2.75Å; I458-M462 HydrophobicContact CD1-CE 3.87Å; I458-M462 WeakPolarHBondContact O-CB 3.27Å; I458-M462 PolarHBondContact O-N 2.83Å; I458-V484 HydrophobicContact CB-CG1 4.36Å; I458-V484 HydrophobicContact CG2-CG1 3.85Å; I458-L488 HydrophobicContact CD1-CD1 4.31Å; I458-L488 HydrophobicContact CG2-CB 4.01Å; I458-L488 HydrophobicContact CG2-CD1 3.87Å; I458-L488 HydrophobicContact CG2-CD2 4.38Å; I458-L488 HydrophobicContact CG2-CG 4.3Å; I458-T522 HydrophobicContact CD1-CG2 4.3Å; I458-V526 HydrophobicContact CD1-CG2 4.32Å; I458-L560 HydrophobicContact CD1-CD2 4.46Å
459	F	88.8	Confident	89.2	Confident	86 Å²	86	34.4 Å²	34.4	38%	0.377	18%	0.176	S	C	.	.	H	α-helix	trans	-56.5	-47	-169	176.5	-105.5	0	0	0	113.6	F455 M462 Y463 Y529	F455-F459 AromaticContact CE1-CD2 3.86Å; F455-F459 HydrophobicContact CE1-CD2 3.86Å; F455-F459 HydrophobicContact CE1-CE2 4.41Å; F455-F459 HydrophobicContact CE2-CD2 4.15Å; F455-F459 AromaticContact CZ-CD2 3.48Å; F455-F459 HydrophobicContact CZ-CD2 3.48Å; F455-F459 VanDerWaalsContact CZ-CD2 3.48Å; F455-F459 AromaticContact CZ-CE2 3.99Å; F455-F459 HydrophobicContact CZ-CE2 3.99Å; F455-F459 PolarHBondContact O-N 2.65Å; F459-M462 PolarHBondContact O-N 2.83Å; F459-Y463 PolarHBondContact O-N 3.3Å; F459-Y529 HydrophobicContact CD2-CD2 4.47Å; F459-Y529 HydrophobicContact CD2-CE2 4.39Å; F459-Y529 AromaticContact CE2-CD2 3.63Å; F459-Y529 HydrophobicContact CE2-CD2 3.63Å; F459-Y529 AromaticContact CE2-CE2 3.4Å; F459-Y529 HydrophobicContact CE2-CE2 3.4Å; F459-Y529 VanDerWaalsContact CE2-CE2 3.4Å; F459-Y529 HydrophobicContact CE2-CG 4.38Å; F459-Y529 HydrophobicContact CZ-CD2 4.43Å; F459-Y529 AromaticContact CZ-CE2 3.83Å; F459-Y529 HydrophobicContact CZ-CE2 3.83Å
460	I	86.9	Confident	89	Confident	42 Å²	42	30.5 Å²	30.5	22%	0.215	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-41.6	-178.3	-64.8	169.1	0	0	0	110.7	I218 F221 S222 I458 M462 Y463 F464	I218-I460 HydrophobicContact CG2-CG2 4.44Å; F221-I460 HydrophobicContact CD1-CD1 4.46Å; S222-I460 WeakPolarHBondContact OG-CB 3.39Å; I458-I460 PolarHBondContact O-N 3.45Å; I460-M462 VanDerWaalsContact C-N 3.34Å; I460-Y463 WeakPolarHBondContact O-CB 3.34Å; I460-Y463 PolarHBondContact O-N 2.93Å; I460-F464 HydrophobicContact CG2-CD2 4.25Å; I460-F464 HydrophobicContact CG2-CE2 3.78Å; I460-F464 VanDerWaalsContact O-CD2 3.27Å; I460-F464 WeakPolarHBondContact O-CD2 3.43Å; I460-F464 PolarHBondContact O-N 3.14Å
461	E	86.4	Confident	88.3	Confident	3 Å²	3	31.8 Å²	31.8	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-71.2	-34.1	-179.8	-64.4	-66.7	152.3	0	0	111.5	H219 S222 I458 Y463 F464 I465 V484	H219-E461 IonicContact CE1-OE1 2.83Å; H219-E461 IonicContact CE1-OE2 2.95Å; H219-E461 IonicContact CG-OE1 3.75Å; H219-E461 IonicContact ND1-OE1 2.77Å; H219-E461 PolarHBondContact ND1-OE1 3.39Å; H219-E461 IonicContact ND1-OE2 3.66Å; H219-E461 PolarHBondContact ND1-OE2 3.43Å; H219-E461 VanDerWaalsContact ND1-OE2 3.16Å; S222-E461 PolarHBondContact OG-OE1 2.93Å; I458-E461 PolarHBondContact O-N 2.75Å; E461-Y463 PolarHBondContact O-N 3.35Å; E461-F464 PolarHBondContact O-N 2.9Å; E461-F464 VanDerWaalsContact O-N 3.12Å; E461-I465 WeakPolarHBondContact O-CG1 3.19Å; E461-I465 PolarHBondContact O-N 3.39Å; E461-V484 HydrophobicContact CB-CG1 4.21Å; E461-V484 HydrophobicContact CB-CG2 4.21Å; E461-V484 HydrophobicContact CG-CG1 4.37Å; E461-V484 HydrophobicContact CG-CG2 3.57Å
462	M	88.5	Confident	87.3	Confident	7 Å²	7	35.9 Å²	35.9	3%	0.034	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-36.2	172.5	-167.4	62.7	76.6	0	0	111.9	I458 F459 I460 I465 F466 V526 Y529 F556 L560	I458-M462 HydrophobicContact CD1-CE 3.87Å; I458-M462 WeakPolarHBondContact O-CB 3.27Å; I458-M462 PolarHBondContact O-N 2.83Å; F459-M462 PolarHBondContact O-N 2.83Å; I460-M462 VanDerWaalsContact C-N 3.34Å; M462-I465 PolarHBondContact O-N 2.99Å; M462-F466 HydrophobicContact CG-CD1 3.97Å; M462-F466 HydrophobicContact CG-CE1 3.58Å; M462-F466 HydrophobicContact CG-CE2 4.45Å; M462-F466 HydrophobicContact CG-CZ 3.82Å; M462-F466 WeakPolarHBondContact O-CB 3.32Å; M462-F466 VanDerWaalsContact O-CD1 3.29Å; M462-F466 WeakPolarHBondContact O-CD1 3.28Å; M462-F466 WeakPolarHBondContact O-CG 3.18Å; M462-F466 PolarHBondContact O-N 3.27Å; M462-F466 HydrophobicContact SD-CD1 3.77Å; M462-F466 HydrophobicContact SD-CE1 3.2Å; M462-F466 WeakPolarHBondContact SD-CE1 3.44Å; M462-F466 HydrophobicContact SD-CZ 3.9Å; M462-V526 HydrophobicContact CE-CB 4.31Å; M462-V526 HydrophobicContact CE-CG1 3.6Å; M462-V526 HydrophobicContact CE-CG2 3.67Å; M462-V526 HydrophobicContact CG-CG1 4.42Å; M462-V526 HydrophobicContact SD-CG1 4.03Å; M462-Y529 HydrophobicContact CG-CD1 4.24Å; M462-Y529 HydrophobicContact CG-CE1 4.39Å; M462-F556 HydrophobicContact CE-CE1 3.87Å; M462-F556 HydrophobicContact CE-CZ 4.07Å; M462-F556 HydrophobicContact SD-CE1 3.78Å; M462-F556 HydrophobicContact SD-CZ 4.02Å; M462-L560 HydrophobicContact CE-CD2 4.06Å
463	Y	88.4	Confident	86.6	Confident	73 Å²	73	35.4 Å²	35.4	29%	0.286	18%	0.176	S	C	.	.	H	α-helix	trans	-62.8	-43.4	174.2	172.6	-103.4	0	0	0	112.4	F213 F459 I460 E461 F466 T467 Y529 Y533	F213-Y463 HydrophobicContact CZ-CE1 4.31Å; F459-Y463 PolarHBondContact O-N 3.3Å; I460-Y463 WeakPolarHBondContact O-CB 3.34Å; I460-Y463 PolarHBondContact O-N 2.93Å; E461-Y463 PolarHBondContact O-N 3.35Å; Y463-F466 PolarHBondContact O-N 3.24Å; Y463-T467 WeakPolarHBondContact O-CB 3.28Å; Y463-T467 PolarHBondContact O-N 3.31Å; Y463-T467 PolarHBondContact O-OG1 2.84Å; Y463-Y529 WeakPolarHBondContact CD2-OH 3.49Å; Y463-Y533 HydrophobicContact CD2-CD2 4.28Å; Y463-Y533 AromaticContact CD2-CE2 3.91Å; Y463-Y533 HydrophobicContact CD2-CE2 3.91Å; Y463-Y533 AromaticContact CE2-CE2 3.89Å; Y463-Y533 HydrophobicContact CE2-CE2 3.89Å
464	F	86.3	Confident	86.2	Confident	8 Å²	8	34.8 Å²	34.8	4%	0.035	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-41.9	176.9	-71.5	-67.2	0	0	0	112	F213 F214 I218 H219 I460 E461 T467 S468 Y475	F213-F464 HydrophobicContact CD1-CD1 4.45Å; F213-F464 AromaticContact CE1-CD1 3.72Å; F213-F464 HydrophobicContact CE1-CD1 3.72Å; F213-F464 HydrophobicContact CE1-CE1 4.12Å; F213-F464 HydrophobicContact CZ-CD1 4.03Å; F213-F464 HydrophobicContact CZ-CE1 4.23Å; F214-F464 HydrophobicContact CD1-CD1 4.06Å; F214-F464 HydrophobicContact CE1-CB 4.3Å; F214-F464 HydrophobicContact CE1-CD1 4.12Å; I218-F464 HydrophobicContact CB-CZ 4.19Å; I218-F464 HydrophobicContact CG2-CE2 3.88Å; I218-F464 HydrophobicContact CG2-CZ 3.67Å; H219-F464 AromaticContact CE1-CD2 3.41Å; H219-F464 VanDerWaalsContact CE1-CD2 3.41Å; H219-F464 WeakPolarHBondContact CE1-CD2 3.41Å; H219-F464 AromaticContact CE1-CE2 3.65Å; H219-F464 AromaticContact CE1-CG 3.66Å; H219-F464 AromaticContact ND1-CD2 3.86Å; H219-F464 AromaticContact ND1-CE2 3.91Å; I460-F464 HydrophobicContact CG2-CD2 4.25Å; I460-F464 HydrophobicContact CG2-CE2 3.78Å; I460-F464 VanDerWaalsContact O-CD2 3.27Å; I460-F464 WeakPolarHBondContact O-CD2 3.43Å; I460-F464 PolarHBondContact O-N 3.14Å; E461-F464 PolarHBondContact O-N 2.9Å; E461-F464 VanDerWaalsContact O-N 3.12Å; F464-T467 PolarHBondContact O-N 2.97Å; F464-S468 WeakPolarHBondContact O-CB 2.98Å; F464-S468 PolarHBondContact O-N 3.2Å; F464-S468 PolarHBondContact O-OG 3.03Å; F464-Y475 HydrophobicContact CB-CE2 4.45Å
465	I	88.4	Confident	85.7	Confident	29 Å²	29	35.9 Å²	35.9	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-50.3	174.1	-69.3	171.2	0	0	0	109.8	E461 M462 T467 S468 F469	E461-I465 WeakPolarHBondContact O-CG1 3.19Å; E461-I465 PolarHBondContact O-N 3.39Å; M462-I465 PolarHBondContact O-N 2.99Å; I465-T467 VanDerWaalsContact C-N 3.32Å; I465-T467 PolarHBondContact O-N 2.84Å; I465-S468 PolarHBondContact O-N 2.64Å; I465-S468 VanDerWaalsContact O-N 3.09Å; I465-F469 HydrophobicContact CG2-CD2 3.62Å; I465-F469 HydrophobicContact CG2-CE2 3.71Å; I465-F469 WeakPolarHBondContact O-CD2 3.43Å; I465-F469 PolarHBondContact O-N 2.8Å
466	F	89.6	Confident	85.1	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-40.2	179.9	-79.5	21.5	0	0	0	112	M462 Y463 S468 W470 V526 Y529 Y533 M553 F556	M462-F466 HydrophobicContact CG-CD1 3.97Å; M462-F466 HydrophobicContact CG-CE1 3.58Å; M462-F466 HydrophobicContact CG-CE2 4.45Å; M462-F466 HydrophobicContact CG-CZ 3.82Å; M462-F466 WeakPolarHBondContact O-CB 3.32Å; M462-F466 VanDerWaalsContact O-CD1 3.29Å; M462-F466 WeakPolarHBondContact O-CD1 3.28Å; M462-F466 WeakPolarHBondContact O-CG 3.18Å; M462-F466 PolarHBondContact O-N 3.27Å; M462-F466 HydrophobicContact SD-CD1 3.77Å; M462-F466 HydrophobicContact SD-CE1 3.2Å; M462-F466 WeakPolarHBondContact SD-CE1 3.44Å; M462-F466 HydrophobicContact SD-CZ 3.9Å; Y463-F466 PolarHBondContact O-N 3.24Å; F466-S468 VanDerWaalsContact C-N 3.27Å; F466-S468 PolarHBondContact O-N 2.99Å; F466-W470 VanDerWaalsContact O-CB 3.26Å; F466-W470 WeakPolarHBondContact O-CB 3.37Å; F466-W470 VanDerWaalsContact O-CD1 3.28Å; F466-W470 PolarHBondContact O-N 2.91Å; F466-V526 HydrophobicContact CE1-CG1 4.5Å; F466-V526 HydrophobicContact CZ-CG1 4.06Å; F466-Y529 AromaticContact CD2-CD1 3.9Å; F466-Y529 HydrophobicContact CD2-CD1 3.9Å; F466-Y529 AromaticContact CD2-CE1 3.74Å; F466-Y529 HydrophobicContact CD2-CE1 3.74Å; F466-Y529 AromaticContact CE2-CD1 3.44Å; F466-Y529 HydrophobicContact CE2-CD1 3.44Å; F466-Y529 VanDerWaalsContact CE2-CD1 3.44Å; F466-Y529 AromaticContact CE2-CE1 3.79Å; F466-Y529 HydrophobicContact CE2-CE1 3.79Å; F466-Y529 HydrophobicContact CG-CE1 4.49Å; F466-Y529 HydrophobicContact CZ-CD1 4.09Å; F466-Y533 HydrophobicContact CB-CD1 4.32Å; F466-Y533 HydrophobicContact CB-CD2 4.11Å; F466-Y533 HydrophobicContact CB-CE1 4.11Å; F466-Y533 HydrophobicContact CB-CE2 3.9Å; F466-Y533 HydrophobicContact CB-CG 4.33Å; F466-Y533 HydrophobicContact CD2-CD1 4.1Å; F466-Y533 HydrophobicContact CD2-CD2 4.05Å; F466-Y533 AromaticContact CD2-CG 3.75Å; F466-Y533 HydrophobicContact CD2-CG 3.75Å; F466-M553 HydrophobicContact CD1-CE 4.36Å; F466-M553 HydrophobicContact CE1-CE 3.39Å; F466-M553 HydrophobicContact CE1-SD 4.24Å; F466-M553 HydrophobicContact CE2-CE 3.97Å; F466-M553 HydrophobicContact CZ-CE 3.17Å; F466-M553 HydrophobicContact CZ-SD 4.3Å; F466-F556 HydrophobicContact CE1-CE1 4.23Å
467	T	86.9	Confident	84.9	Confident	9 Å²	9	35 Å²	35	6%	0.055	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-34.8	176.2	-51.8	0	0	0	0	111.6	F213 Y463 F464 I465 A471 K473 Y533	F213-T467 HydrophobicContact CE1-CG2 3.88Å; F213-T467 HydrophobicContact CE2-CG2 4.16Å; F213-T467 HydrophobicContact CZ-CG2 3.42Å; F213-T467 VanDerWaalsContact CZ-CG2 3.42Å; Y463-T467 WeakPolarHBondContact O-CB 3.28Å; Y463-T467 PolarHBondContact O-N 3.31Å; Y463-T467 PolarHBondContact O-OG1 2.84Å; F464-T467 PolarHBondContact O-N 2.97Å; I465-T467 VanDerWaalsContact C-N 3.32Å; I465-T467 PolarHBondContact O-N 2.84Å; T467-A471 HydrophobicContact CG2-CB 3.76Å; T467-A471 CarbonylContact O-C 3.54Å; T467-A471 VanDerWaalsContact O-CA 3.23Å; T467-A471 WeakPolarHBondContact O-CA 3.29Å; T467-A471 WeakPolarHBondContact O-CB 3.37Å; T467-A471 PolarHBondContact O-N 2.8Å; T467-K473 HydrophobicContact CG2-CG 4.45Å; T467-Y533 VanDerWaalsContact CA-OH 3.24Å; T467-Y533 WeakPolarHBondContact CA-OH 3.39Å; T467-Y533 PolarHBondContact N-OH 3.05Å; T467-Y533 PolarHBondContact OG1-OH 3.24Å
468	S	85.4	Confident	84.8	Confident	12 Å²	12	35.6 Å²	35.6	8%	0.084	16%	0.163	C	C	.	.	H	α-helix	trans	-73.6	-42.6	179.6	-51	0	0	0	0	112.7	F214 F464 I465 F466 K473	F214-S468 WeakPolarHBondContact CZ-OG 3.26Å; F464-S468 WeakPolarHBondContact O-CB 2.98Å; F464-S468 PolarHBondContact O-N 3.2Å; F464-S468 PolarHBondContact O-OG 3.03Å; I465-S468 PolarHBondContact O-N 2.64Å; I465-S468 VanDerWaalsContact O-N 3.09Å; F466-S468 VanDerWaalsContact C-N 3.27Å; F466-S468 PolarHBondContact O-N 2.99Å; S468-K473 CarbonylContact C-O 3.53Å; S468-K473 VanDerWaalsContact CA-O 3.24Å; S468-K473 WeakPolarHBondContact CA-O 3.27Å; S468-K473 VanDerWaalsContact O-O 3.09Å
469	F	84.4	Confident	84.6	Confident	122 Å²	122	36.7 Å²	36.7	54%	0.535	18%	0.176	S	C	.	.	H	α-helix	trans	-71.5	-38.2	178.3	-83	-74	0	0	0	113.1	I465	I465-F469 HydrophobicContact CG2-CD2 3.62Å; I465-F469 HydrophobicContact CG2-CE2 3.71Å; I465-F469 WeakPolarHBondContact O-CD2 3.43Å; I465-F469 PolarHBondContact O-N 2.8Å
470	W	86.6	Confident	84.4	Confident	21 Å²	21	34 Å²	34	8%	0.08	16%	0.164	C	C	.	.	H	α-helix	trans	-109.2	-15.5	-168.7	-57.1	117	0	0	0	114.4	Q52 F466 Y533 M540 F548 Y549 M553	Q52-W470 HydrophobicContact CG-CE3 4.42Å; Q52-W470 HydrophobicContact CG-CZ3 4.06Å; F466-W470 VanDerWaalsContact O-CB 3.26Å; F466-W470 WeakPolarHBondContact O-CB 3.37Å; F466-W470 VanDerWaalsContact O-CD1 3.28Å; F466-W470 PolarHBondContact O-N 2.91Å; W470-Y533 HydrophobicContact CB-CE1 4.23Å; W470-M540 HydrophobicContact CB-CE 3.81Å; W470-M540 HydrophobicContact CE3-CE 4.48Å; W470-M540 WeakPolarHBondContact O-CE 3.34Å; W470-F548 AromaticContact CH2-CD1 3.95Å; W470-F548 HydrophobicContact CH2-CD1 3.95Å; W470-F548 HydrophobicContact CH2-CE1 4.06Å; W470-F548 AromaticContact CZ3-CD1 3.78Å; W470-F548 HydrophobicContact CZ3-CD1 3.78Å; W470-F548 HydrophobicContact CZ3-CE1 4Å; W470-Y549 HydrophobicContact CB-CE2 4.39Å; W470-Y549 AromaticContact CD1-CE2 3.56Å; W470-Y549 AromaticContact CD2-CD2 3.41Å; W470-Y549 HydrophobicContact CD2-CD2 3.41Å; W470-Y549 VanDerWaalsContact CD2-CD2 3.41Å; W470-Y549 AromaticContact CD2-CE2 3.65Å; W470-Y549 HydrophobicContact CD2-CE2 3.65Å; W470-Y549 AromaticContact CE2-CD2 3.5Å; W470-Y549 VanDerWaalsContact CE2-CD2 3.5Å; W470-Y549 AromaticContact CE2-CE2 3.61Å; W470-Y549 AromaticContact CE3-CD2 3.66Å; W470-Y549 HydrophobicContact CE3-CD2 3.66Å; W470-Y549 HydrophobicContact CE3-CE2 4.35Å; W470-Y549 AromaticContact CG-CD2 3.87Å; W470-Y549 HydrophobicContact CG-CD2 3.87Å; W470-Y549 AromaticContact CG-CE2 3.63Å; W470-Y549 HydrophobicContact CG-CE2 3.63Å; W470-Y549 HydrophobicContact CH2-CD2 4.1Å; W470-Y549 AromaticContact CZ2-CD2 3.86Å; W470-Y549 HydrophobicContact CZ2-CD2 3.86Å; W470-Y549 HydrophobicContact CZ2-CE2 4.3Å; W470-Y549 HydrophobicContact CZ2-CG 4.48Å; W470-Y549 AromaticContact CZ3-CD2 4Å; W470-Y549 HydrophobicContact CZ3-CD2 4Å; W470-Y549 AromaticContact NE1-CD2 3.94Å; W470-Y549 AromaticContact NE1-CE2 3.53Å; W470-M553 HydrophobicContact CZ2-CG 3.85Å; W470-M553 HydrophobicContact CZ2-SD 3.73Å; W470-M553 PolarHBondContact NE1-SD 2.82Å
471	A	77.1	Confident	84.5	Confident	28 Å²	28	33.9 Å²	33.9	23%	0.231	16%	0.163	C	C	.	.	S	Bend	trans	-112.3	-170.4	173.5	0	0	0	0	0	111.6	R51 T467 K473	R51-A471 PolarHBondContact NH1-O 3.35Å; T467-A471 HydrophobicContact CG2-CB 3.76Å; T467-A471 CarbonylContact O-C 3.54Å; T467-A471 VanDerWaalsContact O-CA 3.23Å; T467-A471 WeakPolarHBondContact O-CA 3.29Å; T467-A471 WeakPolarHBondContact O-CB 3.37Å; T467-A471 PolarHBondContact O-N 2.8Å; A471-K473 VanDerWaalsContact C-N 3.29Å; A471-K473 PolarHBondContact O-N 2.8Å
472	Y	69.6	Low	84.7	Confident	85 Å²	85	35.5 Å²	35.5	33%	0.333	17%	0.171	S	C	.	.	S	Bend	trans	-87	35.3	-172.5	-66.4	-81.8	0	0	0	114.4	Y48	Y48-Y472 VanDerWaalsContact C-OH 3.29Å; Y48-Y472 WeakPolarHBondContact CA-OH 3.35Å; Y48-Y472 HydrophobicContact CD1-CE2 4.5Å; Y48-Y472 HydrophobicContact CD2-CE1 4.37Å; Y48-Y472 HydrophobicContact CD2-CE2 4.05Å; Y48-Y472 AromaticContact CD2-CZ 3.65Å; Y48-Y472 VanDerWaalsContact CD2-OH 3.25Å; Y48-Y472 WeakPolarHBondContact CD2-OH 3.47Å; Y48-Y472 HydrophobicContact CE1-CE2 4.05Å; Y48-Y472 HydrophobicContact CE2-CD2 4.23Å; Y48-Y472 HydrophobicContact CE2-CE1 4.13Å; Y48-Y472 AromaticContact CE2-CE2 3.56Å; Y48-Y472 HydrophobicContact CE2-CE2 3.56Å; Y48-Y472 AromaticContact CE2-CZ 3.5Å; Y48-Y472 HydrophobicContact CG-CE2 4.49Å; Y48-Y472 AromaticContact CZ-CE2 3.55Å; Y48-Y472 PolarHBondContact O-OH 3.18Å
473	K	78.7	Confident	84.8	Confident	68 Å²	68	39.1 Å²	39.1	30%	0.296	19%	0.191	S	C	.	.			trans	-123.3	131.1	-173.1	-58.8	-63.6	172.8	-170.3	0	111.4	D210 F213 F214 T467 S468 A471	D210-K473 HydrophobicContact CB-CD 3.92Å; D210-K473 VanDerWaalsContact OD2-CE 3.25Å; D210-K473 WeakPolarHBondContact OD2-CE 3.39Å; D210-K473 IonicContact OD2-NZ 3.6Å; D210-K473 PolarHBondContact OD2-NZ 3.22Å; F213-K473 HydrophobicContact CD1-CG 4.26Å; F213-K473 HydrophobicContact CE1-CG 4.48Å; F214-K473 HydrophobicContact CE2-CB 4.11Å; F214-K473 HydrophobicContact CZ-CB 4.2Å; T467-K473 HydrophobicContact CG2-CG 4.45Å; S468-K473 CarbonylContact C-O 3.53Å; S468-K473 VanDerWaalsContact CA-O 3.24Å; S468-K473 WeakPolarHBondContact CA-O 3.27Å; S468-K473 VanDerWaalsContact O-O 3.09Å; A471-K473 VanDerWaalsContact C-N 3.29Å; A471-K473 PolarHBondContact O-N 2.8Å
474	I	80.7	Confident	84.9	Confident	50 Å²	50	36.5 Å²	36.5	26%	0.256	18%	0.182	S	C	.	.			trans	-84.1	126.6	173.9	-59.9	174.2	0	0	0	107.8	L209 F214 Y315	L209-I474 HydrophobicContact CD2-CB 4.17Å; L209-I474 HydrophobicContact CD2-CG2 4.03Å; F214-I474 WeakPolarHBondContact CE2-O 3.32Å; Y315-I474 HydrophobicContact CG-CG2 4.47Å
475	Y	82.3	Confident	85.3	Confident	23 Å²	23	36.8 Å²	36.8	9%	0.09	18%	0.184	C	C	.	.			trans	-83.8	119.8	173.5	-168.9	-92.9	0	0	0	109.6	F214 F464 V477 Y478 M481	F214-Y475 HydrophobicContact CD1-CD2 4.47Å; F214-Y475 AromaticContact CE1-CD2 3.69Å; F214-Y475 HydrophobicContact CE1-CD2 3.69Å; F214-Y475 HydrophobicContact CE1-CE2 4.16Å; F214-Y475 HydrophobicContact CZ-CD2 4.17Å; F464-Y475 HydrophobicContact CB-CE2 4.45Å; Y475-V477 HydrophobicContact CE1-CB 4.47Å; Y475-V477 PolarHBondContact OH-O 2.93Å; Y475-Y478 HydrophobicContact CD1-CD1 4.05Å; Y475-Y478 AromaticContact CD1-CE1 3.95Å; Y475-Y478 HydrophobicContact CD1-CE1 3.95Å; Y475-Y478 HydrophobicContact CE1-CD1 4.14Å; Y475-Y478 HydrophobicContact CE1-CE1 4.49Å; Y475-Y478 PolarHBondContact O-OH 3.32Å; Y475-M481 HydrophobicContact CE1-CB 4.23Å; Y475-M481 HydrophobicContact CE1-SD 4.18Å
476	Y	82.6	Confident	85.5	Confident	47 Å²	47	38.7 Å²	38.7	18%	0.184	20%	0.197	C	C	.	.			trans	-123.3	0	-179.1	66.7	-84.6	0	0	0	113	L209 P211 F214 Y478	L209-Y476 HydrophobicContact CB-CD1 4.05Å; L209-Y476 HydrophobicContact CB-CE1 3.95Å; L209-Y476 HydrophobicContact CD1-CD1 4.18Å; L209-Y476 HydrophobicContact CD1-CD2 4.02Å; L209-Y476 HydrophobicContact CD1-CE2 4.42Å; L209-Y476 HydrophobicContact CD1-CG 3.88Å; L209-Y476 HydrophobicContact CD2-CD1 3.8Å; L209-Y476 HydrophobicContact CD2-CG 3.99Å; L209-Y476 HydrophobicContact CG-CD1 4.22Å; L209-Y476 HydrophobicContact CG-CG 4.37Å; P211-Y476 WeakPolarHBondContact CA-OH 3.24Å; F214-Y476 HydrophobicContact CB-CE1 4.08Å; F214-Y476 HydrophobicContact CD2-CD1 4.14Å; F214-Y476 AromaticContact CD2-CE1 3.58Å; F214-Y476 HydrophobicContact CD2-CE1 3.58Å; F214-Y476 HydrophobicContact CE2-CD1 4.46Å; F214-Y476 HydrophobicContact CE2-CE1 4.3Å; F214-Y476 HydrophobicContact CG-CE1 4.07Å; Y476-Y478 VanDerWaalsContact C-N 3.29Å; Y476-Y478 PolarHBondContact O-N 3.23Å; Y476-Y478 VanDerWaalsContact O-N 3.12Å
477	V	85.2	Confident	85.6	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.055	20%	0.2	C	C	.	.			trans	-94.7	50.7	-168.3	-171	0	0	0	0	110.9	F214 Y475 G479 F480	F214-V477 HydrophobicContact CB-CG2 4.03Å; F214-V477 HydrophobicContact CD1-CG2 4.45Å; F214-V477 HydrophobicContact CG-CG2 4.29Å; Y475-V477 HydrophobicContact CE1-CB 4.47Å; Y475-V477 PolarHBondContact OH-O 2.93Å; V477-G479 VanDerWaalsContact C-N 3.31Å; V477-G479 PolarHBondContact O-N 3.21Å; V477-F480 HydrophobicContact CB-CD2 4.48Å; V477-F480 HydrophobicContact CG1-CB 3.99Å; V477-F480 HydrophobicContact CG1-CD2 3.04Å; V477-F480 HydrophobicContact CG1-CE2 3.62Å; V477-F480 HydrophobicContact CG1-CG 3.74Å; V477-F480 PolarHBondContact O-N 3.38Å
478	Y	86.8	Confident	85.9	Confident	16 Å²	16	39.4 Å²	39.4	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-29.3	-170.4	-61	-68.7	0	0	0	114.7	A309 Y315 M321 Y475 Y476 F480 M481 M482	A309-Y478 HydrophobicContact CB-CD1 3.85Å; A309-Y478 HydrophobicContact CB-CD2 4.04Å; A309-Y478 HydrophobicContact CB-CE1 3.95Å; A309-Y478 HydrophobicContact CB-CE2 4.13Å; A309-Y478 HydrophobicContact CB-CG 3.88Å; A309-Y478 WeakPolarHBondContact O-CD2 3.39Å; Y315-Y478 HydrophobicContact CD1-CE2 4.12Å; M321-Y478 HydrophobicContact CE-CE1 4.42Å; Y475-Y478 HydrophobicContact CD1-CD1 4.05Å; Y475-Y478 AromaticContact CD1-CE1 3.95Å; Y475-Y478 HydrophobicContact CD1-CE1 3.95Å; Y475-Y478 HydrophobicContact CE1-CD1 4.14Å; Y475-Y478 HydrophobicContact CE1-CE1 4.49Å; Y475-Y478 PolarHBondContact O-OH 3.32Å; Y476-Y478 VanDerWaalsContact C-N 3.29Å; Y476-Y478 PolarHBondContact O-N 3.23Å; Y476-Y478 VanDerWaalsContact O-N 3.12Å; Y478-F480 VanDerWaalsContact C-N 3.28Å; Y478-F480 PolarHBondContact O-N 3.12Å; Y478-M481 HydrophobicContact CD1-CE 3.7Å; Y478-M481 HydrophobicContact CE1-CE 4.22Å; Y478-M481 WeakPolarHBondContact O-CB 3.45Å; Y478-M481 PolarHBondContact O-N 3.4Å; Y478-M481 VanDerWaalsContact O-N 3.14Å; Y478-M482 PolarHBondContact O-N 3.31Å
479	G	86.6	Confident	86.4	Confident	31 Å²	31	40 Å²	40	32%	0.32	20%	0.204	S	C	.	.	H	α-helix	trans	-60.7	-35.2	175.5	0	0	0	0	0	113.5	V477 L483	V477-G479 VanDerWaalsContact C-N 3.31Å; V477-G479 PolarHBondContact O-N 3.21Å; G479-L483 PolarHBondContact O-N 3.27Å
480	F	85.6	Confident	86.8	Confident	28 Å²	28	37.6 Å²	37.6	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-73.4	-38.2	175.2	-69.5	-102.7	0	0	0	110.8	H216 H219 W220 I223 V477 Y478 M482 L483 V484	H216-F480 AromaticContact ND1-CE2 3.75Å; H216-F480 AromaticContact ND1-CZ 3.88Å; H219-F480 HydrophobicContact CB-CD1 3.42Å; H219-F480 VanDerWaalsContact CB-CD1 3.42Å; H219-F480 HydrophobicContact CB-CE1 3.48Å; H219-F480 VanDerWaalsContact CB-CE1 3.48Å; H219-F480 HydrophobicContact CB-CG 4.13Å; H219-F480 HydrophobicContact CB-CZ 4.18Å; W220-F480 AromaticContact CD1-CE1 3.88Å; W220-F480 AromaticContact CD1-CZ 3.92Å; W220-F480 HydrophobicContact CG-CE1 4.27Å; W220-F480 AromaticContact NE1-CE1 3.89Å; W220-F480 AromaticContact NE1-CZ 3.72Å; I223-F480 HydrophobicContact CD1-CD1 3.4Å; I223-F480 VanDerWaalsContact CD1-CD1 3.4Å; I223-F480 HydrophobicContact CD1-CE1 3.97Å; I223-F480 HydrophobicContact CD1-CG 4.37Å; I223-F480 HydrophobicContact CG1-CD1 4.46Å; V477-F480 HydrophobicContact CB-CD2 4.48Å; V477-F480 HydrophobicContact CG1-CB 3.99Å; V477-F480 HydrophobicContact CG1-CD2 3.04Å; V477-F480 HydrophobicContact CG1-CE2 3.62Å; V477-F480 HydrophobicContact CG1-CG 3.74Å; V477-F480 PolarHBondContact O-N 3.38Å; Y478-F480 VanDerWaalsContact C-N 3.28Å; Y478-F480 PolarHBondContact O-N 3.12Å; F480-M482 VanDerWaalsContact C-N 3.25Å; F480-M482 PolarHBondContact O-N 3.31Å; F480-L483 PolarHBondContact O-N 3.07Å; F480-L483 VanDerWaalsContact O-N 3.13Å; F480-V484 WeakPolarHBondContact O-CG2 3.39Å; F480-V484 PolarHBondContact O-N 2.98Å
481	M	88.1	Confident	87.2	Confident	40 Å²	40	36.6 Å²	36.6	20%	0.197	19%	0.192	C	C	.	.	H	α-helix	trans	-57.6	-38.2	174.5	-168.7	160.2	76.7	0	0	112.3	I306 Y475 Y478 V484 L485	I306-M481 HydrophobicContact CD1-CE 4.18Å; I306-M481 HydrophobicContact CD1-CG 4.07Å; I306-M481 HydrophobicContact CG1-CE 3.51Å; I306-M481 HydrophobicContact CG1-CG 4.35Å; Y475-M481 HydrophobicContact CE1-CB 4.23Å; Y475-M481 HydrophobicContact CE1-SD 4.18Å; Y478-M481 HydrophobicContact CD1-CE 3.7Å; Y478-M481 HydrophobicContact CE1-CE 4.22Å; Y478-M481 WeakPolarHBondContact O-CB 3.45Å; Y478-M481 PolarHBondContact O-N 3.4Å; Y478-M481 VanDerWaalsContact O-N 3.14Å; M481-V484 PolarHBondContact O-N 3.33Å; M481-L485 PolarHBondContact O-N 2.85Å
482	M	91.3	Very high	88	Confident	37 Å²	37	35.3 Å²	35.3	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-47.1	173.9	-175.3	58.8	176.4	0	0	112.7	F303 I306 M310 Y478 F480 V484 L485 V486	F303-M482 HydrophobicContact CD2-CE 3.66Å; F303-M482 HydrophobicContact CD2-SD 4.19Å; F303-M482 HydrophobicContact CE2-CE 3.19Å; F303-M482 HydrophobicContact CE2-SD 4.31Å; F303-M482 HydrophobicContact CZ-CE 4.04Å; I306-M482 HydrophobicContact CG2-CB 3.69Å; I306-M482 HydrophobicContact CG2-CG 4.3Å; I306-M482 HydrophobicContact CG2-SD 3.95Å; M310-M482 HydrophobicContact SD-CB 4.02Å; M310-M482 HydrophobicContact SD-CG 4.43Å; Y478-M482 PolarHBondContact O-N 3.31Å; F480-M482 VanDerWaalsContact C-N 3.25Å; F480-M482 PolarHBondContact O-N 3.31Å; M482-V484 VanDerWaalsContact C-N 3.3Å; M482-V484 PolarHBondContact O-N 3.44Å; M482-L485 PolarHBondContact O-N 3.33Å; M482-V486 WeakPolarHBondContact O-CG2 3.38Å; M482-V486 PolarHBondContact O-N 2.6Å; M482-V486 VanDerWaalsContact O-N 3.15Å
483	L	90.4	Very high	89.2	Confident	84 Å²	84	33 Å²	33	44%	0.44	18%	0.176	S	C	.	.	H	α-helix	trans	-62.4	-39.7	177.9	-68.9	175.1	0	0	0	111.7	I223 G479 F480 V486 I487	I223-L483 HydrophobicContact CD1-CB 4.21Å; I223-L483 HydrophobicContact CD1-CD1 3.75Å; G479-L483 PolarHBondContact O-N 3.27Å; F480-L483 PolarHBondContact O-N 3.07Å; F480-L483 VanDerWaalsContact O-N 3.13Å; L483-V486 PolarHBondContact O-N 3.29Å; L483-I487 WeakPolarHBondContact O-CG1 3.07Å; L483-I487 PolarHBondContact O-N 3.14Å
484	V	91.2	Very high	89.9	Confident	18 Å²	18	30.5 Å²	30.5	11%	0.109	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-40	177.9	176	0	0	0	0	111.2	I458 E461 F480 M481 M482 V486 I487 L488	I458-V484 HydrophobicContact CB-CG1 4.36Å; I458-V484 HydrophobicContact CG2-CG1 3.85Å; E461-V484 HydrophobicContact CB-CG1 4.21Å; E461-V484 HydrophobicContact CB-CG2 4.21Å; E461-V484 HydrophobicContact CG-CG1 4.37Å; E461-V484 HydrophobicContact CG-CG2 3.57Å; F480-V484 WeakPolarHBondContact O-CG2 3.39Å; F480-V484 PolarHBondContact O-N 2.98Å; M481-V484 PolarHBondContact O-N 3.33Å; M482-V484 VanDerWaalsContact C-N 3.3Å; M482-V484 PolarHBondContact O-N 3.44Å; V484-V486 VanDerWaalsContact C-N 3.33Å; V484-V486 PolarHBondContact O-N 2.95Å; V484-I487 PolarHBondContact O-N 3.37Å; V484-L488 VanDerWaalsContact O-CB 3.3Å; V484-L488 WeakPolarHBondContact O-CB 3.32Å; V484-L488 PolarHBondContact O-N 3.12Å
485	L	93.6	Very high	90.4	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.073	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-43	174	-177.9	65.6	0	0	0	111.5	F299 F303 I306 M481 M482 L488 C489 M563	F299-L485 HydrophobicContact CE2-CD1 4.33Å; F299-L485 HydrophobicContact CE2-CD2 4.29Å; F299-L485 HydrophobicContact CE2-CG 4.29Å; F303-L485 HydrophobicContact CB-CD2 4.41Å; I306-L485 HydrophobicContact CD1-CB 4.45Å; I306-L485 HydrophobicContact CD1-CD2 3.84Å; M481-L485 PolarHBondContact O-N 2.85Å; M482-L485 PolarHBondContact O-N 3.33Å; L485-L488 PolarHBondContact O-N 3.43Å; L485-C489 PolarHBondContact O-N 3.29Å; L485-C489 PolarHBondContact O-SG 3.46Å; L485-M563 HydrophobicContact CD1-CE 4.09Å; L485-M563 HydrophobicContact CD1-SD 4.31Å
486	V	93.4	Very high	91	Very high	68 Å²	68	27.5 Å²	27.5	41%	0.412	15%	0.153	S	C	.	.	H	α-helix	trans	-64.5	-47.1	177.4	173.9	0	0	0	0	111.2	M482 L483 V484 L488 C489 I490	M482-V486 WeakPolarHBondContact O-CG2 3.38Å; M482-V486 PolarHBondContact O-N 2.6Å; M482-V486 VanDerWaalsContact O-N 3.15Å; L483-V486 PolarHBondContact O-N 3.29Å; V484-V486 VanDerWaalsContact C-N 3.33Å; V484-V486 PolarHBondContact O-N 2.95Å; V486-L488 VanDerWaalsContact C-N 3.34Å; V486-L488 PolarHBondContact O-N 3.47Å; V486-C489 WeakPolarHBondContact O-CB 3.44Å; V486-C489 PolarHBondContact O-N 3.42Å; V486-I490 HydrophobicContact CG1-CD1 4.03Å; V486-I490 WeakPolarHBondContact O-CG1 3.19Å; V486-I490 PolarHBondContact O-N 3.08Å
487	I	92	Very high	91.5	Very high	17 Å²	17	26.3 Å²	26.3	9%	0.087	15%	0.15	C	C	.	.	H	α-helix	trans	-58.8	-47	176.8	-70.5	168.2	0	0	0	110.4	I223 V230 L483 V484 C489 I490 V491	I223-I487 HydrophobicContact CG2-CD1 4.31Å; V230-I487 HydrophobicContact CG2-CG2 3.96Å; L483-I487 WeakPolarHBondContact O-CG1 3.07Å; L483-I487 PolarHBondContact O-N 3.14Å; V484-I487 PolarHBondContact O-N 3.37Å; I487-C489 VanDerWaalsContact C-N 3.29Å; I487-C489 PolarHBondContact O-N 3.32Å; I487-I490 PolarHBondContact O-N 3.47Å; I487-I490 VanDerWaalsContact O-N 3.15Å; I487-V491 HydrophobicContact CG2-CG2 4.17Å; I487-V491 WeakPolarHBondContact O-CG2 3.36Å; I487-V491 PolarHBondContact O-N 3.26Å
488	L	93.7	Very high	91.7	Very high	9 Å²	9	26.9 Å²	26.9	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-42.7	177.5	178.5	63.3	0	0	0	111.4	P454 I458 V484 L485 V486 T492 L560 M563	P454-L488 HydrophobicContact CB-CD1 3.95Å; I458-L488 HydrophobicContact CD1-CD1 4.31Å; I458-L488 HydrophobicContact CG2-CB 4.01Å; I458-L488 HydrophobicContact CG2-CD1 3.87Å; I458-L488 HydrophobicContact CG2-CD2 4.38Å; I458-L488 HydrophobicContact CG2-CG 4.3Å; V484-L488 VanDerWaalsContact O-CB 3.3Å; V484-L488 WeakPolarHBondContact O-CB 3.32Å; V484-L488 PolarHBondContact O-N 3.12Å; L485-L488 PolarHBondContact O-N 3.43Å; V486-L488 VanDerWaalsContact C-N 3.34Å; V486-L488 PolarHBondContact O-N 3.47Å; L488-T492 HydrophobicContact CD1-CG2 3.83Å; L488-T492 HydrophobicContact CG-CG2 4.27Å; L488-T492 VanDerWaalsContact O-CB 3.32Å; L488-T492 WeakPolarHBondContact O-CB 3.43Å; L488-T492 WeakPolarHBondContact O-CG2 3.3Å; L488-T492 PolarHBondContact O-N 3.42Å; L488-T492 PolarHBondContact O-OG1 3.11Å; L488-L560 HydrophobicContact CD2-CD1 4.02Å; L488-M563 HydrophobicContact CD2-CE 4.37Å
489	C	95.2	Very high	91.9	Very high	24 Å²	24	26.7 Å²	26.7	16%	0.162	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-44.3	176.7	-68.3	0	0	0	0	112.3	F299 L485 V486 I487 T492 V493 V567	F299-C489 WeakPolarHBondContact CE2-SG 3.36Å; L485-C489 PolarHBondContact O-N 3.29Å; L485-C489 PolarHBondContact O-SG 3.46Å; V486-C489 WeakPolarHBondContact O-CB 3.44Å; V486-C489 PolarHBondContact O-N 3.42Å; I487-C489 VanDerWaalsContact C-N 3.29Å; I487-C489 PolarHBondContact O-N 3.32Å; C489-T492 WeakPolarHBondContact CA-OG1 3.37Å; C489-T492 PolarHBondContact O-OG1 3.44Å; C489-V493 WeakPolarHBondContact O-CB 3.46Å; C489-V493 VanDerWaalsContact O-CG2 3.26Å; C489-V493 WeakPolarHBondContact O-CG2 3.2Å; C489-V493 PolarHBondContact O-N 3.03Å; C489-V493 VanDerWaalsContact O-N 3.07Å; C489-V567 HydrophobicContact CB-CG1 4.18Å
490	I	93.5	Very high	92.2	Very high	72 Å²	72	25.2 Å²	25.2	37%	0.369	14%	0.139	S	C	.	.	H	α-helix	trans	-65.5	-49	179.7	-63.1	167.2	0	0	0	110.3	V230 V486 I487 T492 V493 C494	V230-I490 HydrophobicContact CG1-CG2 3.65Å; V486-I490 HydrophobicContact CG1-CD1 4.03Å; V486-I490 WeakPolarHBondContact O-CG1 3.19Å; V486-I490 PolarHBondContact O-N 3.08Å; I487-I490 PolarHBondContact O-N 3.47Å; I487-I490 VanDerWaalsContact O-N 3.15Å; I490-T492 PolarHBondContact O-N 2.93Å; I490-V493 PolarHBondContact O-N 3.47Å; I490-C494 PolarHBondContact O-N 2.99Å; I490-C494 PolarHBondContact O-SG 3.1Å; I490-C494 VanDerWaalsContact O-SG 3.33Å
491	V	93.3	Very high	92.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-45.6	-179.2	177.7	0	0	0	0	111	V230 L233 P454 I487 V493 C494 V495	V230-V491 HydrophobicContact CG2-CG2 3.4Å; L233-V491 HydrophobicContact CD1-CG1 3.83Å; P454-V491 HydrophobicContact CB-CG1 4.08Å; P454-V491 HydrophobicContact CG-CG1 4.02Å; I487-V491 HydrophobicContact CG2-CG2 4.17Å; I487-V491 WeakPolarHBondContact O-CG2 3.36Å; I487-V491 PolarHBondContact O-N 3.26Å; V491-V493 PolarHBondContact O-N 3.4Å; V491-C494 PolarHBondContact O-N 2.95Å; V491-V495 HydrophobicContact CG1-CG2 4.14Å; V491-V495 WeakPolarHBondContact O-CB 3.37Å; V491-V495 VanDerWaalsContact O-CG2 3.26Å; V491-V495 WeakPolarHBondContact O-CG2 3.46Å; V491-V495 PolarHBondContact O-N 3.42Å
492	T	94.8	Very high	92.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-44.2	178.3	50.4	0	0	0	0	111.8	P454 L488 C489 I490 T496 C564	P454-T492 HydrophobicContact CB-CG2 3.76Å; P454-T492 HydrophobicContact CG-CG2 3.99Å; L488-T492 HydrophobicContact CD1-CG2 3.83Å; L488-T492 HydrophobicContact CG-CG2 4.27Å; L488-T492 VanDerWaalsContact O-CB 3.32Å; L488-T492 WeakPolarHBondContact O-CB 3.43Å; L488-T492 WeakPolarHBondContact O-CG2 3.3Å; L488-T492 PolarHBondContact O-N 3.42Å; L488-T492 PolarHBondContact O-OG1 3.11Å; C489-T492 WeakPolarHBondContact CA-OG1 3.37Å; C489-T492 PolarHBondContact O-OG1 3.44Å; I490-T492 PolarHBondContact O-N 2.93Å; T492-T496 WeakPolarHBondContact O-CB 3.14Å; T492-T496 WeakPolarHBondContact O-CG2 3.46Å; T492-T496 PolarHBondContact O-N 3Å; T492-T496 PolarHBondContact O-OG1 2.86Å; T492-C564 HydrophobicContact CG2-CB 4.21Å
493	V	95.1	Very high	92.2	Very high	36 Å²	36	25.9 Å²	25.9	22%	0.218	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-46.8	175.8	171.5	0	0	0	0	111.5	C489 I490 V491 V495 T496 I497 V567	C489-V493 WeakPolarHBondContact O-CB 3.46Å; C489-V493 VanDerWaalsContact O-CG2 3.26Å; C489-V493 WeakPolarHBondContact O-CG2 3.2Å; C489-V493 PolarHBondContact O-N 3.03Å; C489-V493 VanDerWaalsContact O-N 3.07Å; I490-V493 PolarHBondContact O-N 3.47Å; V491-V493 PolarHBondContact O-N 3.4Å; V493-V495 PolarHBondContact O-N 2.89Å; V493-T496 WeakPolarHBondContact CA-OG1 3.39Å; V493-T496 PolarHBondContact O-N 2.83Å; V493-T496 PolarHBondContact O-OG1 3.49Å; V493-I497 HydrophobicContact CG1-CD1 3.71Å; V493-I497 HydrophobicContact CG1-CG1 4.43Å; V493-I497 WeakPolarHBondContact O-CB 3.34Å; V493-I497 VanDerWaalsContact O-CG1 3.25Å; V493-I497 WeakPolarHBondContact O-CG1 3.39Å; V493-I497 PolarHBondContact O-N 3.19Å; V493-V567 HydrophobicContact CG2-CG1 3.81Å
494	C	92.3	Very high	92.1	Very high	15 Å²	15	21.9 Å²	21.9	10%	0.101	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-47.4	179.5	-72.1	0	0	0	0	112.1	L233 V237 I490 V491 I497 V498	L233-C494 HydrophobicContact CB-CB 4.24Å; V237-C494 HydrophobicContact CG2-CB 4.14Å; I490-C494 PolarHBondContact O-N 2.99Å; I490-C494 PolarHBondContact O-SG 3.1Å; I490-C494 VanDerWaalsContact O-SG 3.33Å; V491-C494 PolarHBondContact O-N 2.95Å; C494-I497 PolarHBondContact O-N 3.47Å; C494-V498 WeakPolarHBondContact O-CG2 3.25Å; C494-V498 PolarHBondContact O-N 3.46Å; C494-V498 VanDerWaalsContact O-N 3.12Å
495	V	92.5	Very high	91.9	Very high	9 Å²	9	23.6 Å²	23.6	6%	0.055	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-42.5	-178	176.1	0	0	0	0	111.1	L233 G450 L453 P454 V491 V493 I497 V498 C499	L233-V495 HydrophobicContact CD1-CG2 3.99Å; L233-V495 HydrophobicContact CD2-CG2 4.35Å; G450-V495 VanDerWaalsContact O-CG1 3.24Å; G450-V495 WeakPolarHBondContact O-CG1 3.26Å; L453-V495 HydrophobicContact CB-CG2 3.96Å; L453-V495 HydrophobicContact CD1-CG2 3.89Å; P454-V495 HydrophobicContact CG-CG2 4.49Å; V491-V495 HydrophobicContact CG1-CG2 4.14Å; V491-V495 WeakPolarHBondContact O-CB 3.37Å; V491-V495 VanDerWaalsContact O-CG2 3.26Å; V491-V495 WeakPolarHBondContact O-CG2 3.46Å; V491-V495 PolarHBondContact O-N 3.42Å; V493-V495 PolarHBondContact O-N 2.89Å; V495-I497 VanDerWaalsContact C-N 3.35Å; V495-I497 PolarHBondContact O-N 3.24Å; V495-V498 PolarHBondContact O-N 3.23Å; V495-C499 WeakPolarHBondContact O-CB 3.49Å; V495-C499 PolarHBondContact O-N 2.91Å; V495-C499 PolarHBondContact O-SG 2.73Å
496	T	94.5	Very high	91.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-35.8	178.4	54.7	0	0	0	0	113.1	T492 V493 T500 S518 A519 G568 T572	T492-T496 WeakPolarHBondContact O-CB 3.14Å; T492-T496 WeakPolarHBondContact O-CG2 3.46Å; T492-T496 PolarHBondContact O-N 3Å; T492-T496 PolarHBondContact O-OG1 2.86Å; V493-T496 WeakPolarHBondContact CA-OG1 3.39Å; V493-T496 PolarHBondContact O-N 2.83Å; V493-T496 PolarHBondContact O-OG1 3.49Å; T496-T500 VanDerWaalsContact O-CB 3.24Å; T496-T500 WeakPolarHBondContact O-CB 3.38Å; T496-T500 PolarHBondContact O-N 2.86Å; T496-T500 PolarHBondContact O-OG1 3.01Å; T496-S518 WeakPolarHBondContact CG2-OG 3.26Å; T496-A519 HydrophobicContact CG2-CB 3.49Å; T496-A519 VanDerWaalsContact CG2-CB 3.49Å; T496-G568 PolarHBondContact OG1-O 3.13Å; T496-T572 WeakPolarHBondContact CB-OG1 3.36Å; T496-T572 PolarHBondContact OG1-OG1 2.87Å
497	I	92.6	Very high	91.3	Very high	22 Å²	22	21.2 Å²	21.2	11%	0.113	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-47	171.9	-72.5	169.3	0	0	0	110.4	V237 V493 C494 V495 T500 Y501 F575	V237-I497 HydrophobicContact CG1-CG2 4.2Å; V493-I497 HydrophobicContact CG1-CD1 3.71Å; V493-I497 HydrophobicContact CG1-CG1 4.43Å; V493-I497 WeakPolarHBondContact O-CB 3.34Å; V493-I497 VanDerWaalsContact O-CG1 3.25Å; V493-I497 WeakPolarHBondContact O-CG1 3.39Å; V493-I497 PolarHBondContact O-N 3.19Å; C494-I497 PolarHBondContact O-N 3.47Å; V495-I497 VanDerWaalsContact C-N 3.35Å; V495-I497 PolarHBondContact O-N 3.24Å; I497-T500 PolarHBondContact O-N 2.82Å; I497-Y501 VanDerWaalsContact O-CB 3.3Å; I497-Y501 WeakPolarHBondContact O-CB 3.48Å; I497-Y501 PolarHBondContact O-N 3.46Å; I497-F575 HydrophobicContact CD1-CB 4.06Å; I497-F575 HydrophobicContact CD1-CG 4.38Å; I497-F575 HydrophobicContact CG1-CB 3.96Å; I497-F575 HydrophobicContact CG1-CD1 4.36Å; I497-F575 HydrophobicContact CG1-CG 4.1Å; I497-F575 HydrophobicContact CG2-CD1 3.88Å; I497-F575 HydrophobicContact CG2-CD2 3.98Å; I497-F575 HydrophobicContact CG2-CE1 3.95Å; I497-F575 HydrophobicContact CG2-CE2 4.06Å; I497-F575 HydrophobicContact CG2-CG 3.89Å; I497-F575 HydrophobicContact CG2-CZ 4.04Å
498	V	89.4	Confident	91.2	Very high	21 Å²	21	20.4 Å²	20.4	13%	0.127	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-48.5	178.9	172.9	0	0	0	0	111.2	L236 V237 I240 C494 V495 T500 Y501 F502	L236-V498 HydrophobicContact CD2-CG1 4.46Å; L236-V498 HydrophobicContact CD2-CG2 4.02Å; V237-V498 HydrophobicContact CG2-CG2 3.49Å; V237-V498 VanDerWaalsContact CG2-CG2 3.49Å; I240-V498 HydrophobicContact CD1-CG1 4.41Å; I240-V498 HydrophobicContact CD1-CG2 4.37Å; C494-V498 WeakPolarHBondContact O-CG2 3.25Å; C494-V498 PolarHBondContact O-N 3.46Å; C494-V498 VanDerWaalsContact O-N 3.12Å; V495-V498 PolarHBondContact O-N 3.23Å; V498-T500 VanDerWaalsContact C-N 3.32Å; V498-T500 PolarHBondContact O-N 2.87Å; V498-Y501 PolarHBondContact O-N 3.38Å; V498-F502 HydrophobicContact CG1-CD2 3.77Å; V498-F502 HydrophobicContact CG1-CE2 3.44Å; V498-F502 VanDerWaalsContact CG1-CE2 3.44Å; V498-F502 VanDerWaalsContact O-CD2 3.24Å; V498-F502 WeakPolarHBondContact O-CD2 3.37Å; V498-F502 PolarHBondContact O-N 3.45Å
499	C	91.2	Very high	91.1	Very high	13 Å²	13	21.9 Å²	21.9	9%	0.088	12%	0.115	C	C	.	.	H	α-helix	trans	-56.7	-45.4	176.1	-72.9	0	0	0	0	111.9	I446 V495 F502 L503	I446-C499 HydrophobicContact CG2-CB 3.44Å; I446-C499 VanDerWaalsContact CG2-CB 3.44Å; V495-C499 WeakPolarHBondContact O-CB 3.49Å; V495-C499 PolarHBondContact O-N 2.91Å; V495-C499 PolarHBondContact O-SG 2.73Å; C499-F502 PolarHBondContact O-N 3.43Å; C499-L503 PolarHBondContact O-N 3.19Å; C499-L503 VanDerWaalsContact O-N 3.09Å
500	T	91.9	Very high	90.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.2	-39.3	179	-61.2	0	0	0	0	111.7	T496 I497 V498 L503 L504 W511 S515 T572 V576	T496-T500 VanDerWaalsContact O-CB 3.24Å; T496-T500 WeakPolarHBondContact O-CB 3.38Å; T496-T500 PolarHBondContact O-N 2.86Å; T496-T500 PolarHBondContact O-OG1 3.01Å; I497-T500 PolarHBondContact O-N 2.82Å; V498-T500 VanDerWaalsContact C-N 3.32Å; V498-T500 PolarHBondContact O-N 2.87Å; T500-L503 WeakPolarHBondContact O-CB 3.21Å; T500-L503 PolarHBondContact O-N 2.82Å; T500-L504 HydrophobicContact CG2-CD1 3.97Å; T500-L504 HydrophobicContact CG2-CG 4.22Å; T500-L504 WeakPolarHBondContact O-CG 3.46Å; T500-L504 PolarHBondContact O-N 3.33Å; T500-W511 HydrophobicContact CG2-CB 3.65Å; T500-W511 HydrophobicContact CG2-CD2 4.36Å; T500-W511 HydrophobicContact CG2-CE3 4.26Å; T500-W511 HydrophobicContact CG2-CG 4.14Å; T500-S515 WeakPolarHBondContact OG1-CB 3.48Å; T500-T572 HydrophobicContact CG2-CG2 3.54Å; T500-T572 WeakPolarHBondContact OG1-CG2 3.48Å; T500-V576 HydrophobicContact CG2-CG2 4.1Å
501	Y	88.3	Confident	90.9	Very high	30 Å²	30	23 Å²	23	12%	0.118	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-42.5	176.6	-176.5	-105.1	0	0	0	111.8	I240 T244 W271 I497 V498 L503 L504 N505 F575	I240-Y501 HydrophobicContact CG2-CD1 3.56Å; I240-Y501 HydrophobicContact CG2-CE1 3.33Å; I240-Y501 HydrophobicContact CG2-CG 4.25Å; T244-Y501 PolarHBondContact OG1-OH 2.9Å; W271-Y501 HydrophobicContact CG-CE2 4.46Å; I497-Y501 VanDerWaalsContact O-CB 3.3Å; I497-Y501 WeakPolarHBondContact O-CB 3.48Å; I497-Y501 PolarHBondContact O-N 3.46Å; V498-Y501 PolarHBondContact O-N 3.38Å; Y501-L503 VanDerWaalsContact C-N 3.33Å; Y501-L503 PolarHBondContact O-N 3.37Å; Y501-L504 PolarHBondContact O-N 3.43Å; Y501-N505 WeakPolarHBondContact CD1-ND2 3.41Å; Y501-N505 WeakPolarHBondContact CE1-ND2 3.49Å; Y501-N505 VanDerWaalsContact CZ-ND2 3.26Å; Y501-N505 WeakPolarHBondContact O-CB 3.14Å; Y501-N505 VanDerWaalsContact O-CG 3.32Å; Y501-N505 PolarHBondContact O-N 2.93Å; Y501-N505 PolarHBondContact O-ND2 2.92Å; Y501-F575 HydrophobicContact CD2-CZ 4.35Å
502	F	87	Confident	91.1	Very high	88 Å²	88	24 Å²	24	39%	0.386	12%	0.115	S	C	.	.	H	α-helix	trans	-60.6	-42.1	173.1	-78.5	-57.5	0	0	0	112.4	M441 V498 C499 N505 A506	M441-F502 HydrophobicContact CE-CB 4.49Å; M441-F502 HydrophobicContact CE-CD1 3.76Å; M441-F502 HydrophobicContact CE-CE1 4.48Å; M441-F502 HydrophobicContact CE-CG 4.49Å; M441-F502 HydrophobicContact SD-CB 4.05Å; M441-F502 HydrophobicContact SD-CD1 4.28Å; M441-F502 HydrophobicContact SD-CG 4.46Å; V498-F502 HydrophobicContact CG1-CD2 3.77Å; V498-F502 HydrophobicContact CG1-CE2 3.44Å; V498-F502 VanDerWaalsContact CG1-CE2 3.44Å; V498-F502 VanDerWaalsContact O-CD2 3.24Å; V498-F502 WeakPolarHBondContact O-CD2 3.37Å; V498-F502 PolarHBondContact O-N 3.45Å; C499-F502 PolarHBondContact O-N 3.43Å; F502-N505 PolarHBondContact O-N 3.34Å; F502-A506 PolarHBondContact O-N 3.04Å
503	L	90.4	Very high	91.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-46	177.4	-173.7	75	0	0	0	112.2	P443 I446 C499 T500 Y501 N505 A506 E507 D508 W511 T514	P443-L503 HydrophobicContact CG-CD1 3.89Å; I446-L503 HydrophobicContact CD1-CB 4.29Å; I446-L503 HydrophobicContact CD1-CD1 4.21Å; C499-L503 PolarHBondContact O-N 3.19Å; C499-L503 VanDerWaalsContact O-N 3.09Å; T500-L503 WeakPolarHBondContact O-CB 3.21Å; T500-L503 PolarHBondContact O-N 2.82Å; Y501-L503 VanDerWaalsContact C-N 3.33Å; Y501-L503 PolarHBondContact O-N 3.37Å; L503-N505 VanDerWaalsContact C-N 3.32Å; L503-N505 PolarHBondContact O-N 3.35Å; L503-A506 CarbonylContact O-C 3.26Å; L503-A506 WeakPolarHBondContact O-CA 3.25Å; L503-A506 WeakPolarHBondContact O-CB 3.22Å; L503-A506 PolarHBondContact O-N 3.05Å; L503-E507 PolarHBondContact O-N 3.41Å; L503-D508 HydrophobicContact CD1-CB 3.75Å; L503-D508 HydrophobicContact CG-CB 3.94Å; L503-D508 PolarHBondContact O-N 3.46Å; L503-W511 HydrophobicContact CD2-CB 4Å; L503-T514 HydrophobicContact CD2-CG2 4.03Å
504	L	89.2	Confident	91.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-34.3	178.8	-69	175.2	0	0	0	111.9	W271 V274 V278 T500 Y501 A506 E507 W511 V576 I579 Y580	W271-L504 VanDerWaalsContact CA-O 3.26Å; W271-L504 WeakPolarHBondContact CA-O 3.32Å; W271-L504 HydrophobicContact CB-CB 3.74Å; W271-L504 PolarHBondContact N-O 2.99Å; V274-L504 HydrophobicContact CG2-CD2 4.17Å; V278-L504 HydrophobicContact CG2-CD2 4.11Å; T500-L504 HydrophobicContact CG2-CD1 3.97Å; T500-L504 HydrophobicContact CG2-CG 4.22Å; T500-L504 WeakPolarHBondContact O-CG 3.46Å; T500-L504 PolarHBondContact O-N 3.33Å; Y501-L504 PolarHBondContact O-N 3.43Å; L504-A506 PolarHBondContact O-N 3.2Å; L504-E507 WeakPolarHBondContact O-CA 3.33Å; L504-E507 PolarHBondContact O-N 2.9Å; L504-W511 HydrophobicContact CD2-CB 4.44Å; L504-V576 HydrophobicContact CD1-CG2 4.32Å; L504-I579 HydrophobicContact CD1-CD1 4.37Å; L504-Y580 HydrophobicContact CD1-CE2 4.36Å
505	N	85.2	Confident	91.3	Very high	54 Å²	54	24.7 Å²	24.7	29%	0.289	11%	0.113	S	C	.	.	H	α-helix	trans	-66.4	-23.7	172.4	-75.9	-42.7	0	0	0	113.5	W271 Y501 F502 L503 E507	W271-N505 VanDerWaalsContact CD1-OD1 3.25Å; Y501-N505 WeakPolarHBondContact CD1-ND2 3.41Å; Y501-N505 WeakPolarHBondContact CE1-ND2 3.49Å; Y501-N505 VanDerWaalsContact CZ-ND2 3.26Å; Y501-N505 WeakPolarHBondContact O-CB 3.14Å; Y501-N505 VanDerWaalsContact O-CG 3.32Å; Y501-N505 PolarHBondContact O-N 2.93Å; Y501-N505 PolarHBondContact O-ND2 2.92Å; F502-N505 PolarHBondContact O-N 3.34Å; L503-N505 VanDerWaalsContact C-N 3.32Å; L503-N505 PolarHBondContact O-N 3.35Å; N505-E507 PolarHBondContact O-N 2.94Å
506	A	86	Confident	91.6	Very high	17 Å²	17	24.7 Å²	24.7	14%	0.14	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	13.2	170.6	0	0	0	0	0	112.4	K437 M441 F502 L503 L504 D508	K437-A506 HydrophobicContact CB-CB 4.36Å; M441-A506 HydrophobicContact CB-CB 4.14Å; M441-A506 HydrophobicContact CG-CB 4.48Å; F502-A506 PolarHBondContact O-N 3.04Å; L503-A506 CarbonylContact O-C 3.26Å; L503-A506 WeakPolarHBondContact O-CA 3.25Å; L503-A506 WeakPolarHBondContact O-CB 3.22Å; L503-A506 PolarHBondContact O-N 3.05Å; L504-A506 PolarHBondContact O-N 3.2Å; A506-D508 PolarHBondContact O-N 3.42Å; A506-D508 VanDerWaalsContact O-N 3.12Å
507	E	88.4	Confident	91.7	Very high	15 Å²	15	28.2 Å²	28.2	7%	0.07	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	21.1	178.6	-59.3	176.9	-151.7	0	0	114.2	G270 Q273 V274 R432 P435 L503 L504 N505	G270-E507 PolarHBondContact N-OE1 3.29Å; Q273-E507 PolarHBondContact OE1-OE1 3.31Å; Q273-E507 PolarHBondContact OE1-OE2 3.42Å; Q273-E507 VanDerWaalsContact OE1-OE2 3.11Å; V274-E507 HydrophobicContact CG1-CB 4.14Å; V274-E507 WeakPolarHBondContact CG1-O 3.49Å; R432-E507 IonicContact CZ-OE2 3Å; R432-E507 IonicContact NH1-OE2 3.12Å; R432-E507 PolarHBondContact NH1-OE2 2.95Å; R432-E507 IonicContact NH2-OE2 3.55Å; R432-E507 PolarHBondContact NH2-OE2 3.21Å; P435-E507 HydrophobicContact CG-CB 3.83Å; P435-E507 HydrophobicContact CG-CG 4.5Å; L503-E507 PolarHBondContact O-N 3.41Å; L504-E507 WeakPolarHBondContact O-CA 3.33Å; L504-E507 PolarHBondContact O-N 2.9Å; N505-E507 PolarHBondContact O-N 2.94Å
508	D	90.6	Very high	91.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.			trans	-94.1	104.1	174	-166.7	-23.5	0	0	0	109.8	I434 K437 L503 A506 R510	I434-D508 HydrophobicContact CG2-CB 4.06Å; K437-D508 IonicContact NZ-OD2 3.19Å; K437-D508 PolarHBondContact NZ-OD2 2.82Å; L503-D508 HydrophobicContact CD1-CB 3.75Å; L503-D508 HydrophobicContact CG-CB 3.94Å; L503-D508 PolarHBondContact O-N 3.46Å; A506-D508 PolarHBondContact O-N 3.42Å; A506-D508 VanDerWaalsContact O-N 3.12Å; D508-R510 PolarHBondContact O-N 2.83Å; D508-R510 VanDerWaalsContact OD1-CB 3.3Å; D508-R510 WeakPolarHBondContact OD1-CB 3.5Å; D508-R510 WeakPolarHBondContact OD1-CG 3.5Å; D508-R510 IonicContact OD1-CZ 2.77Å; D508-R510 PolarHBondContact OD1-N 3.43Å; D508-R510 VanDerWaalsContact OD1-N 3.11Å; D508-R510 IonicContact OD1-NE 3.23Å; D508-R510 PolarHBondContact OD1-NE 3.5Å; D508-R510 IonicContact OD1-NH2 3.41Å; D508-R510 IonicContact OD2-CZ 3.64Å; D508-R510 IonicContact OD2-NE 3.87Å; D508-R510 IonicContact OD2-NH2 3.38Å; D508-R510 PolarHBondContact OD2-NH2 2.85Å
509	Y	90.6	Very high	92.3	Very high	40 Å²	40	26.2 Å²	26.2	16%	0.157	12%	0.12	C	C	.	.			trans	-74.7	-2.4	-178.2	61.4	-96.4	0	0	0	113.9	D277 P431 I434 W511	D277-Y509 HydrophobicContact CB-CD1 3.73Å; D277-Y509 HydrophobicContact CB-CD2 4.08Å; D277-Y509 HydrophobicContact CB-CE1 4.21Å; D277-Y509 HydrophobicContact CB-CG 3.66Å; P431-Y509 WeakPolarHBondContact CB-OH 3.32Å; I434-Y509 HydrophobicContact CD1-CE1 4.28Å; I434-Y509 HydrophobicContact CG1-CD1 4.48Å; I434-Y509 HydrophobicContact CG1-CE1 4.05Å; Y509-W511 PolarHBondContact O-N 3.44Å
510	R	92.1	Very high	92.6	Very high	117 Å²	117	26.3 Å²	26.3	44%	0.442	12%	0.122	S	C	.	.			trans	-83	43.2	-175.9	-59	174.6	-64.6	-178.5	-0.4	113.1	I434 D508 Q512 T514	I434-R510 VanDerWaalsContact CD1-CZ 3.47Å; D508-R510 PolarHBondContact O-N 2.83Å; D508-R510 VanDerWaalsContact OD1-CB 3.3Å; D508-R510 WeakPolarHBondContact OD1-CB 3.5Å; D508-R510 WeakPolarHBondContact OD1-CG 3.5Å; D508-R510 IonicContact OD1-CZ 2.77Å; D508-R510 PolarHBondContact OD1-N 3.43Å; D508-R510 VanDerWaalsContact OD1-N 3.11Å; D508-R510 IonicContact OD1-NE 3.23Å; D508-R510 PolarHBondContact OD1-NE 3.5Å; D508-R510 IonicContact OD1-NH2 3.41Å; D508-R510 IonicContact OD2-CZ 3.64Å; D508-R510 IonicContact OD2-NE 3.87Å; D508-R510 IonicContact OD2-NH2 3.38Å; D508-R510 PolarHBondContact OD2-NH2 2.85Å; R510-Q512 VanDerWaalsContact C-N 3.32Å; R510-Q512 PolarHBondContact O-N 3.16Å; R510-T514 PolarHBondContact O-OG1 3.43Å
511	W	94.1	Very high	92.8	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-70	-22.6	-172.8	66.4	-90.4	0	0	0	114.9	V278 T500 L503 L504 Y509 W513 T514 S515 Y569 T572 V576	V278-W511 PolarHBondContact O-NE1 2.94Å; T500-W511 HydrophobicContact CG2-CB 3.65Å; T500-W511 HydrophobicContact CG2-CD2 4.36Å; T500-W511 HydrophobicContact CG2-CE3 4.26Å; T500-W511 HydrophobicContact CG2-CG 4.14Å; L503-W511 HydrophobicContact CD2-CB 4Å; L504-W511 HydrophobicContact CD2-CB 4.44Å; Y509-W511 PolarHBondContact O-N 3.44Å; W511-W513 PolarHBondContact O-N 2.94Å; W511-T514 PolarHBondContact O-N 3.25Å; W511-S515 WeakPolarHBondContact O-CB 3.32Å; W511-S515 PolarHBondContact O-N 2.89Å; W511-S515 PolarHBondContact O-OG 2.72Å; W511-Y569 HydrophobicContact CH2-CD2 4.45Å; W511-Y569 AromaticContact CH2-CE2 3.79Å; W511-Y569 HydrophobicContact CH2-CE2 3.79Å; W511-Y569 AromaticContact CZ3-CD2 3.95Å; W511-Y569 HydrophobicContact CZ3-CD2 3.95Å; W511-Y569 AromaticContact CZ3-CE2 3.71Å; W511-Y569 HydrophobicContact CZ3-CE2 3.71Å; W511-T572 HydrophobicContact CE3-CG2 3.63Å; W511-T572 HydrophobicContact CZ3-CG2 3.71Å; W511-V576 HydrophobicContact CD2-CG2 4.06Å; W511-V576 HydrophobicContact CE3-CG2 4.16Å; W511-V576 HydrophobicContact CH2-CB 4.37Å; W511-V576 HydrophobicContact CH2-CG2 4.32Å; W511-V576 HydrophobicContact CZ2-CB 4.15Å; W511-V576 HydrophobicContact CZ2-CG1 3.9Å; W511-V576 HydrophobicContact CZ2-CG2 4.21Å; W511-V576 HydrophobicContact CZ3-CG2 4.3Å
512	Q	95.9	Very high	93.2	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-47.9	-172.2	-64	164.2	-28.4	0	0	112.1	R280 S282 F288 R510 S515 F516 Y569	R280-Q512 PolarHBondContact O-NE2 3.37Å; R280-Q512 PolarHBondContact O-OE1 3.1Å; S282-Q512 VanDerWaalsContact N-OE1 3.07Å; F288-Q512 HydrophobicContact CE1-CB 4.25Å; F288-Q512 WeakPolarHBondContact CE2-O 3.49Å; F288-Q512 HydrophobicContact CZ-CB 3.91Å; F288-Q512 WeakPolarHBondContact CZ-O 3.16Å; R510-Q512 VanDerWaalsContact C-N 3.32Å; R510-Q512 PolarHBondContact O-N 3.16Å; Q512-S515 PolarHBondContact O-OG 3.07Å; Q512-F516 PolarHBondContact O-N 3.45Å; Q512-Y569 HydrophobicContact CB-CE2 4.08Å; Q512-Y569 HydrophobicContact CG-CE2 4.1Å
513	W	96.3	Very high	93.7	Very high	60 Å²	60	21.5 Å²	21.5	23%	0.227	10%	0.104	C	C	.	.	H	α-helix	trans	-73.1	-39.9	175.4	-81.5	106.5	0	0	0	112.5	S283 I287 F288 L291 W511 S515 F516 L517	S283-W513 PolarHBondContact O-NE1 3.46Å; I287-W513 HydrophobicContact CG2-CH2 4.48Å; F288-W513 HydrophobicContact CB-CH2 4.12Å; F288-W513 HydrophobicContact CB-CZ2 3.62Å; F288-W513 AromaticContact CD2-CD2 3.68Å; F288-W513 HydrophobicContact CD2-CD2 3.68Å; F288-W513 AromaticContact CD2-CE2 3.56Å; F288-W513 AromaticContact CD2-CE3 3.85Å; F288-W513 HydrophobicContact CD2-CE3 3.85Å; F288-W513 HydrophobicContact CD2-CG 4.34Å; F288-W513 AromaticContact CD2-CH2 3.87Å; F288-W513 HydrophobicContact CD2-CH2 3.87Å; F288-W513 AromaticContact CD2-CZ2 3.69Å; F288-W513 HydrophobicContact CD2-CZ2 3.69Å; F288-W513 AromaticContact CD2-CZ3 3.93Å; F288-W513 HydrophobicContact CD2-CZ3 3.93Å; F288-W513 HydrophobicContact CE2-CD2 4.1Å; F288-W513 HydrophobicContact CE2-CE3 4.22Å; F288-W513 HydrophobicContact CE2-CG 4.46Å; F288-W513 HydrophobicContact CG-CZ2 4.1Å; L291-W513 HydrophobicContact CD1-CH2 3.93Å; L291-W513 HydrophobicContact CD1-CZ3 4Å; W511-W513 PolarHBondContact O-N 2.94Å; W513-S515 VanDerWaalsContact C-N 3.33Å; W513-S515 PolarHBondContact O-N 2.85Å; W513-F516 HydrophobicContact CE3-CD1 4.39Å; W513-F516 HydrophobicContact CZ3-CD1 4.36Å; W513-F516 PolarHBondContact O-N 3.43Å; W513-L517 HydrophobicContact CE3-CD1 4.41Å; W513-L517 HydrophobicContact CE3-CG 4.36Å; W513-L517 VanDerWaalsContact O-CB 3.3Å; W513-L517 WeakPolarHBondContact O-CB 3.32Å; W513-L517 VanDerWaalsContact O-CG 3.3Å; W513-L517 WeakPolarHBondContact O-CG 3.42Å; W513-L517 PolarHBondContact O-N 2.88Å
514	T	95.6	Very high	94	Very high	8 Å²	8	25.6 Å²	25.6	5%	0.049	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-42.7	179.7	-50.2	0	0	0	0	111.4	P443 I446 V447 L503 R510 W511 S518	P443-T514 HydrophobicContact CB-CG2 4.26Å; I446-T514 HydrophobicContact CG2-CG2 4.12Å; V447-T514 HydrophobicContact CG2-CG2 4.15Å; L503-T514 HydrophobicContact CD2-CG2 4.03Å; R510-T514 PolarHBondContact O-OG1 3.43Å; W511-T514 PolarHBondContact O-N 3.25Å; T514-S518 VanDerWaalsContact O-CB 3.26Å; T514-S518 WeakPolarHBondContact O-CB 3.3Å; T514-S518 PolarHBondContact O-N 2.77Å
515	S	96.4	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-43.6	176.5	59.6	0	0	0	0	112.6	T500 W511 Q512 W513 A519	T500-S515 WeakPolarHBondContact OG1-CB 3.48Å; W511-S515 WeakPolarHBondContact O-CB 3.32Å; W511-S515 PolarHBondContact O-N 2.89Å; W511-S515 PolarHBondContact O-OG 2.72Å; Q512-S515 PolarHBondContact O-OG 3.07Å; W513-S515 VanDerWaalsContact C-N 3.33Å; W513-S515 PolarHBondContact O-N 2.85Å; S515-A519 PolarHBondContact O-N 2.93Å
516	F	97.8	Very high	94.9	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.035	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-50.4	174.6	178.7	-91.3	0	0	0	111.4	F288 L291 I292 Q512 W513 A519 A520 G565	F288-F516 HydrophobicContact CE2-CB 3.93Å; F288-F516 HydrophobicContact CE2-CG 4.33Å; L291-F516 HydrophobicContact CB-CE2 4.12Å; L291-F516 HydrophobicContact CB-CZ 3.88Å; L291-F516 HydrophobicContact CD1-CE1 4.18Å; L291-F516 HydrophobicContact CD1-CZ 4.2Å; L291-F516 HydrophobicContact CD2-CZ 4.46Å; L291-F516 HydrophobicContact CG-CZ 4.42Å; I292-F516 HydrophobicContact CD1-CD2 3.52Å; I292-F516 HydrophobicContact CD1-CE2 3.95Å; Q512-F516 PolarHBondContact O-N 3.45Å; W513-F516 HydrophobicContact CE3-CD1 4.39Å; W513-F516 HydrophobicContact CZ3-CD1 4.36Å; W513-F516 PolarHBondContact O-N 3.43Å; F516-A519 PolarHBondContact O-N 2.96Å; F516-A520 HydrophobicContact CE1-CB 4.29Å; F516-A520 WeakPolarHBondContact O-CB 3.22Å; F516-A520 PolarHBondContact O-N 3.44Å; F516-G565 WeakPolarHBondContact CD2-O 3.49Å; F516-G565 VanDerWaalsContact O-CA 3.28Å; F516-G565 WeakPolarHBondContact O-CA 3.45Å
517	L	97.6	Very high	95.4	Very high	75 Å²	75	28.1 Å²	28.1	39%	0.393	13%	0.131	S	C	.	.	H	α-helix	trans	-70.4	-32.6	-175.8	-68.9	173.1	0	0	0	112.7	V447 W513 A519 A520 S521	V447-L517 HydrophobicContact CB-CB 4.44Å; V447-L517 HydrophobicContact CG1-CB 3.83Å; V447-L517 HydrophobicContact CG2-CB 3.66Å; W513-L517 HydrophobicContact CE3-CD1 4.41Å; W513-L517 HydrophobicContact CE3-CG 4.36Å; W513-L517 VanDerWaalsContact O-CB 3.3Å; W513-L517 WeakPolarHBondContact O-CB 3.32Å; W513-L517 VanDerWaalsContact O-CG 3.3Å; W513-L517 WeakPolarHBondContact O-CG 3.42Å; W513-L517 PolarHBondContact O-N 2.88Å; L517-A519 VanDerWaalsContact C-N 3.31Å; L517-A519 PolarHBondContact O-N 3.32Å; L517-A520 PolarHBondContact O-N 3.27Å; L517-S521 WeakPolarHBondContact O-CB 3.42Å; L517-S521 PolarHBondContact O-N 3.42Å
518	S	96.1	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69	-29.1	178.6	88.7	0	0	0	0	112.8	G450 G451 T496 T514 S521	G450-S518 CarbonylContact C-O 3.52Å; G451-S518 PolarHBondContact N-O 2.87Å; T496-S518 WeakPolarHBondContact CG2-OG 3.26Å; T514-S518 VanDerWaalsContact O-CB 3.26Å; T514-S518 WeakPolarHBondContact O-CB 3.3Å; T514-S518 PolarHBondContact O-N 2.77Å; S518-S521 PolarHBondContact O-OG 3.3Å
519	A	96.8	Very high	95.9	Very high	1 Å²	1	33 Å²	33	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-82.5	-37.5	169.2	0	0	0	0	0	112.2	T496 S515 F516 L517 S521 T522 C564	T496-A519 HydrophobicContact CG2-CB 3.49Å; T496-A519 VanDerWaalsContact CG2-CB 3.49Å; S515-A519 PolarHBondContact O-N 2.93Å; F516-A519 PolarHBondContact O-N 2.96Å; L517-A519 VanDerWaalsContact C-N 3.31Å; L517-A519 PolarHBondContact O-N 3.32Å; A519-S521 PolarHBondContact O-N 3.2Å; A519-T522 WeakPolarHBondContact O-CB 3.45Å; A519-T522 PolarHBondContact O-N 2.86Å; A519-T522 PolarHBondContact O-OG1 2.92Å; A519-C564 HydrophobicContact CB-CB 4.21Å; A519-C564 WeakPolarHBondContact CB-O 3.46Å; A519-C564 WeakPolarHBondContact O-CB 3.15Å
520	A	97.5	Very high	96.1	Very high	16 Å²	16	31 Å²	31	13%	0.132	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-27.2	177.5	0	0	0	0	0	112.5	F516 L517 T522 A523 G561	F516-A520 HydrophobicContact CE1-CB 4.29Å; F516-A520 WeakPolarHBondContact O-CB 3.22Å; F516-A520 PolarHBondContact O-N 3.44Å; L517-A520 PolarHBondContact O-N 3.27Å; A520-T522 PolarHBondContact O-N 3.25Å; A520-T522 VanDerWaalsContact O-N 3.14Å; A520-A523 VanDerWaalsContact O-CB 3.26Å; A520-A523 WeakPolarHBondContact O-CB 3.19Å; A520-A523 PolarHBondContact O-N 2.91Å; A520-G561 WeakPolarHBondContact CA-O 3.1Å; A520-G561 VanDerWaalsContact CB-O 3.27Å; A520-G561 WeakPolarHBondContact CB-O 3.26Å
521	S	97.3	Very high	96.3	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.063	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.6	179.2	64.8	0	0	0	0	113.6	V447 G451 L517 S518 A519 A523 V524 Y525	V447-S521 VanDerWaalsContact O-CB 3.23Å; V447-S521 WeakPolarHBondContact O-CB 3.22Å; V447-S521 PolarHBondContact O-OG 2.9Å; G451-S521 WeakPolarHBondContact CA-OG 3.24Å; G451-S521 PolarHBondContact N-OG 2.88Å; L517-S521 WeakPolarHBondContact O-CB 3.42Å; L517-S521 PolarHBondContact O-N 3.42Å; S518-S521 PolarHBondContact O-OG 3.3Å; A519-S521 PolarHBondContact O-N 3.2Å; S521-A523 PolarHBondContact O-N 3.29Å; S521-V524 WeakPolarHBondContact O-CB 3.39Å; S521-V524 PolarHBondContact O-N 3.35Å; S521-Y525 VanDerWaalsContact O-CD2 3.23Å; S521-Y525 WeakPolarHBondContact O-CD2 3.2Å; S521-Y525 PolarHBondContact O-N 3.35Å
522	T	96.4	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-52.3	-37.4	167.8	-59.2	0	0	0	0	112.1	G451 P454 F455 I458 A519 A520 V524 Y525 V526	G451-T522 PolarHBondContact O-OG1 2.93Å; P454-T522 HydrophobicContact CB-CG2 4.05Å; P454-T522 WeakPolarHBondContact CB-OG1 3.35Å; F455-T522 HydrophobicContact CB-CG2 4.21Å; I458-T522 HydrophobicContact CD1-CG2 4.3Å; A519-T522 WeakPolarHBondContact O-CB 3.45Å; A519-T522 PolarHBondContact O-N 2.86Å; A519-T522 PolarHBondContact O-OG1 2.92Å; A520-T522 PolarHBondContact O-N 3.25Å; A520-T522 VanDerWaalsContact O-N 3.14Å; T522-V524 VanDerWaalsContact C-N 3.29Å; T522-V524 PolarHBondContact O-N 3.46Å; T522-Y525 PolarHBondContact O-N 2.9Å; T522-V526 WeakPolarHBondContact O-CG2 3.26Å; T522-V526 PolarHBondContact O-N 3.39Å; T522-V526 VanDerWaalsContact O-N 3.12Å
523	A	97.1	Very high	96.1	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-31.7	176.4	0	0	0	0	0	113.7	A520 S521 Y525 V526 Y527 S557	A520-A523 VanDerWaalsContact O-CB 3.26Å; A520-A523 WeakPolarHBondContact O-CB 3.19Å; A520-A523 PolarHBondContact O-N 2.91Å; S521-A523 PolarHBondContact O-N 3.29Å; A523-Y525 VanDerWaalsContact C-N 3.33Å; A523-V526 PolarHBondContact O-N 2.98Å; A523-Y527 WeakPolarHBondContact O-CB 3.46Å; A523-Y527 PolarHBondContact O-N 3.46Å; A523-S557 WeakPolarHBondContact CB-O 3.22Å
524	V	96.6	Very high	96	Very high	85 Å²	85	31.5 Å²	31.5	52%	0.515	15%	0.151	S	C	.	.	H	α-helix	trans	-65.5	-42.5	177.3	-178.8	0	0	0	0	109.7	S521 T522 Y527 M528	S521-V524 WeakPolarHBondContact O-CB 3.39Å; S521-V524 PolarHBondContact O-N 3.35Å; T522-V524 VanDerWaalsContact C-N 3.29Å; T522-V524 PolarHBondContact O-N 3.46Å; V524-Y527 PolarHBondContact O-N 2.88Å; V524-M528 HydrophobicContact CG1-CE 4.24Å; V524-M528 WeakPolarHBondContact O-CG 3.23Å; V524-M528 PolarHBondContact O-N 3.48Å
525	Y	96.3	Very high	95.8	Very high	51 Å²	51	37.7 Å²	37.7	20%	0.2	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-41.1	174.7	-66.6	-74.5	0	0	0	112.5	C448 I452 F455 S521 T522 A523 M528 Y529	C448-Y525 WeakPolarHBondContact O-CE2 3.23Å; C448-Y525 PolarHBondContact O-OH 3.47Å; I452-Y525 HydrophobicContact CG1-CE1 3.99Å; I452-Y525 HydrophobicContact CG1-CE2 3.93Å; I452-Y525 VanDerWaalsContact CG1-CZ 3.45Å; I452-Y525 WeakPolarHBondContact CG1-OH 3.46Å; F455-Y525 HydrophobicContact CB-CG 4.3Å; F455-Y525 HydrophobicContact CD1-CG 4.38Å; F455-Y525 VanDerWaalsContact CG-CB 3.48Å; F455-Y525 HydrophobicContact CG-CG 4.27Å; S521-Y525 VanDerWaalsContact O-CD2 3.23Å; S521-Y525 WeakPolarHBondContact O-CD2 3.2Å; S521-Y525 PolarHBondContact O-N 3.35Å; T522-Y525 PolarHBondContact O-N 2.9Å; A523-Y525 VanDerWaalsContact C-N 3.33Å; Y525-M528 HydrophobicContact CD1-CE 3.39Å; Y525-M528 HydrophobicContact CE1-CE 3.76Å; Y525-M528 HydrophobicContact CG-CE 4.07Å; Y525-M528 PolarHBondContact O-N 2.73Å; Y525-Y529 WeakPolarHBondContact O-CB 3.34Å; Y525-Y529 PolarHBondContact O-N 3.27Å
526	V	96.4	Very high	95.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-42.3	174.8	174	0	0	0	0	111.6	F455 I458 M462 F466 T522 A523 Y529 S530 F556 L560	F455-V526 HydrophobicContact CD2-CG2 3.79Å; F455-V526 HydrophobicContact CE2-CG2 4.09Å; I458-V526 HydrophobicContact CD1-CG2 4.32Å; M462-V526 HydrophobicContact CE-CB 4.31Å; M462-V526 HydrophobicContact CE-CG1 3.6Å; M462-V526 HydrophobicContact CE-CG2 3.67Å; M462-V526 HydrophobicContact CG-CG1 4.42Å; M462-V526 HydrophobicContact SD-CG1 4.03Å; F466-V526 HydrophobicContact CE1-CG1 4.5Å; F466-V526 HydrophobicContact CZ-CG1 4.06Å; T522-V526 WeakPolarHBondContact O-CG2 3.26Å; T522-V526 PolarHBondContact O-N 3.39Å; T522-V526 VanDerWaalsContact O-N 3.12Å; A523-V526 PolarHBondContact O-N 2.98Å; V526-Y529 WeakPolarHBondContact O-CB 3.35Å; V526-Y529 PolarHBondContact O-N 2.8Å; V526-S530 PolarHBondContact O-N 3.26Å; V526-F556 HydrophobicContact CG1-CD1 4.37Å; V526-F556 HydrophobicContact CG1-CE1 3.98Å; V526-L560 HydrophobicContact CB-CD2 4.31Å; V526-L560 HydrophobicContact CG1-CD2 4.32Å; V526-L560 HydrophobicContact CG2-CD2 3.8Å
527	Y	96.6	Very high	95.2	Very high	73 Å²	73	49.7 Å²	49.7	29%	0.286	23%	0.23	S	C	.	.	H	α-helix	trans	-67.4	-41.3	177.7	-166.9	-117.5	0	0	0	111.7	A523 V524 Y529 S530 F531 M553 A554	A523-Y527 WeakPolarHBondContact O-CB 3.46Å; A523-Y527 PolarHBondContact O-N 3.46Å; V524-Y527 PolarHBondContact O-N 2.88Å; Y527-Y529 VanDerWaalsContact C-N 3.32Å; Y527-Y529 PolarHBondContact O-N 3.24Å; Y527-S530 VanDerWaalsContact O-CB 3.3Å; Y527-S530 WeakPolarHBondContact O-CB 3.22Å; Y527-S530 PolarHBondContact O-N 2.95Å; Y527-S530 PolarHBondContact O-OG 3.01Å; Y527-F531 AromaticContact CD1-CE2 3.94Å; Y527-F531 HydrophobicContact CD1-CE2 3.94Å; Y527-F531 AromaticContact CE1-CE2 3.54Å; Y527-F531 HydrophobicContact CE1-CE2 3.54Å; Y527-F531 HydrophobicContact CE1-CZ 4.17Å; Y527-F531 AromaticContact CZ-CE2 3.89Å; Y527-F531 WeakPolarHBondContact O-CD2 3.3Å; Y527-F531 PolarHBondContact O-N 3.39Å; Y527-M553 HydrophobicContact CD2-CB 4.38Å; Y527-M553 HydrophobicContact CE2-CB 4.21Å; Y527-A554 HydrophobicContact CE2-CB 3.83Å
528	M	95.8	Very high	94.8	Very high	100 Å²	100	47.1 Å²	47.1	49%	0.493	22%	0.218	S	C	.	.	H	α-helix	trans	-60.5	-41.5	171.9	-72.7	-172.4	-62.5	0	0	111.9	V524 Y525 S530 F531 Y532	V524-M528 HydrophobicContact CG1-CE 4.24Å; V524-M528 WeakPolarHBondContact O-CG 3.23Å; V524-M528 PolarHBondContact O-N 3.48Å; Y525-M528 HydrophobicContact CD1-CE 3.39Å; Y525-M528 HydrophobicContact CE1-CE 3.76Å; Y525-M528 HydrophobicContact CG-CE 4.07Å; Y525-M528 PolarHBondContact O-N 2.73Å; M528-S530 PolarHBondContact O-N 3.44Å; M528-F531 WeakPolarHBondContact O-CB 3.24Å; M528-F531 PolarHBondContact O-N 2.96Å; M528-F531 VanDerWaalsContact O-N 3.14Å; M528-Y532 PolarHBondContact O-N 3.46Å
529	Y	94.7	Very high	94.4	Very high	17 Å²	17	54.6 Å²	54.6	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-61.3	-32.5	174.2	-179.6	-110.4	0	0	0	112.2	F455 F459 M462 Y463 F466 Y525 V526 Y527 F531 Y532 Y533	F455-Y529 HydrophobicContact CZ-CG 4.33Å; F459-Y529 HydrophobicContact CD2-CD2 4.47Å; F459-Y529 HydrophobicContact CD2-CE2 4.39Å; F459-Y529 AromaticContact CE2-CD2 3.63Å; F459-Y529 HydrophobicContact CE2-CD2 3.63Å; F459-Y529 AromaticContact CE2-CE2 3.4Å; F459-Y529 HydrophobicContact CE2-CE2 3.4Å; F459-Y529 VanDerWaalsContact CE2-CE2 3.4Å; F459-Y529 HydrophobicContact CE2-CG 4.38Å; F459-Y529 HydrophobicContact CZ-CD2 4.43Å; F459-Y529 AromaticContact CZ-CE2 3.83Å; F459-Y529 HydrophobicContact CZ-CE2 3.83Å; M462-Y529 HydrophobicContact CG-CD1 4.24Å; M462-Y529 HydrophobicContact CG-CE1 4.39Å; Y463-Y529 WeakPolarHBondContact CD2-OH 3.49Å; F466-Y529 AromaticContact CD2-CD1 3.9Å; F466-Y529 HydrophobicContact CD2-CD1 3.9Å; F466-Y529 AromaticContact CD2-CE1 3.74Å; F466-Y529 HydrophobicContact CD2-CE1 3.74Å; F466-Y529 AromaticContact CE2-CD1 3.44Å; F466-Y529 HydrophobicContact CE2-CD1 3.44Å; F466-Y529 VanDerWaalsContact CE2-CD1 3.44Å; F466-Y529 AromaticContact CE2-CE1 3.79Å; F466-Y529 HydrophobicContact CE2-CE1 3.79Å; F466-Y529 HydrophobicContact CG-CE1 4.49Å; F466-Y529 HydrophobicContact CZ-CD1 4.09Å; Y525-Y529 WeakPolarHBondContact O-CB 3.34Å; Y525-Y529 PolarHBondContact O-N 3.27Å; V526-Y529 WeakPolarHBondContact O-CB 3.35Å; V526-Y529 PolarHBondContact O-N 2.8Å; Y527-Y529 VanDerWaalsContact C-N 3.32Å; Y527-Y529 PolarHBondContact O-N 3.24Å; Y529-F531 VanDerWaalsContact C-N 3.29Å; Y529-F531 PolarHBondContact O-N 3.34Å; Y529-Y532 AromaticContact CD2-CD1 3.96Å; Y529-Y532 HydrophobicContact CD2-CD1 3.96Å; Y529-Y532 AromaticContact CE2-CD1 3.67Å; Y529-Y532 HydrophobicContact CE2-CD1 3.67Å; Y529-Y532 HydrophobicContact CE2-CE1 4.13Å; Y529-Y532 WeakPolarHBondContact O-CB 3.42Å; Y529-Y532 PolarHBondContact O-N 3.27Å; Y529-Y533 HydrophobicContact CE1-CD2 4.5Å; Y529-Y533 WeakPolarHBondContact O-CB 3.5Å; Y529-Y533 PolarHBondContact O-N 3.44Å
530	S	95.1	Very high	94.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-33.1	174.8	85.4	0	0	0	0	113.3	V526 Y527 M528 Y534 Y549	V526-S530 PolarHBondContact O-N 3.26Å; Y527-S530 VanDerWaalsContact O-CB 3.3Å; Y527-S530 WeakPolarHBondContact O-CB 3.22Å; Y527-S530 PolarHBondContact O-N 2.95Å; Y527-S530 PolarHBondContact O-OG 3.01Å; M528-S530 PolarHBondContact O-N 3.44Å; S530-Y534 WeakPolarHBondContact O-CB 3.33Å; S530-Y534 PolarHBondContact O-N 3.41Å; S530-Y549 WeakPolarHBondContact O-CE1 3.01Å; S530-Y549 PolarHBondContact O-OH 3.12Å
531	F	95	Very high	93.7	Very high	82 Å²	82	59.4 Å²	59.4	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-46.6	171.9	-76.5	-92.6	0	0	0	111.3	Y527 M528 Y529 Y533 Y534 F535 F550	Y527-F531 AromaticContact CD1-CE2 3.94Å; Y527-F531 HydrophobicContact CD1-CE2 3.94Å; Y527-F531 AromaticContact CE1-CE2 3.54Å; Y527-F531 HydrophobicContact CE1-CE2 3.54Å; Y527-F531 HydrophobicContact CE1-CZ 4.17Å; Y527-F531 AromaticContact CZ-CE2 3.89Å; Y527-F531 WeakPolarHBondContact O-CD2 3.3Å; Y527-F531 PolarHBondContact O-N 3.39Å; M528-F531 WeakPolarHBondContact O-CB 3.24Å; M528-F531 PolarHBondContact O-N 2.96Å; M528-F531 VanDerWaalsContact O-N 3.14Å; Y529-F531 VanDerWaalsContact C-N 3.29Å; Y529-F531 PolarHBondContact O-N 3.34Å; F531-Y533 VanDerWaalsContact C-N 3.31Å; F531-Y533 PolarHBondContact O-N 3.31Å; F531-Y534 PolarHBondContact O-N 3.38Å; F531-F535 HydrophobicContact CD1-CE2 4.12Å; F531-F535 WeakPolarHBondContact O-CD2 3.34Å; F531-F535 PolarHBondContact O-N 3.35Å; F531-F535 VanDerWaalsContact O-N 3.08Å; F531-F550 AromaticContact CD1-CE1 3.47Å; F531-F550 HydrophobicContact CD1-CE1 3.47Å; F531-F550 VanDerWaalsContact CD1-CE1 3.47Å; F531-F550 AromaticContact CD1-CZ 3.66Å; F531-F550 HydrophobicContact CD1-CZ 3.66Å; F531-F550 AromaticContact CD2-CE1 3.92Å; F531-F550 HydrophobicContact CD2-CE1 3.92Å; F531-F550 HydrophobicContact CE1-CD1 4.1Å; F531-F550 AromaticContact CE1-CE1 3.44Å; F531-F550 HydrophobicContact CE1-CE1 3.44Å; F531-F550 VanDerWaalsContact CE1-CE1 3.44Å; F531-F550 AromaticContact CE1-CZ 3.77Å; F531-F550 HydrophobicContact CE1-CZ 3.77Å; F531-F550 HydrophobicContact CE2-CD1 4.2Å; F531-F550 AromaticContact CE2-CE1 3.88Å; F531-F550 HydrophobicContact CE2-CE1 3.88Å; F531-F550 AromaticContact CG-CE1 3.72Å; F531-F550 HydrophobicContact CG-CE1 3.72Å; F531-F550 HydrophobicContact CG-CZ 4.23Å; F531-F550 AromaticContact CZ-CD1 3.93Å; F531-F550 HydrophobicContact CZ-CD1 3.93Å; F531-F550 AromaticContact CZ-CE1 3.65Å; F531-F550 HydrophobicContact CZ-CE1 3.65Å; F531-F550 HydrophobicContact CZ-CZ 4.42Å
532	Y	94	Very high	93.4	Very high	105 Å²	105	60.6 Å²	60.6	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-57.3	-46.9	175.6	169.8	-94.1	0	0	0	111.1	M528 Y529 Y534 F535 F536 K537	M528-Y532 PolarHBondContact O-N 3.46Å; Y529-Y532 AromaticContact CD2-CD1 3.96Å; Y529-Y532 HydrophobicContact CD2-CD1 3.96Å; Y529-Y532 AromaticContact CE2-CD1 3.67Å; Y529-Y532 HydrophobicContact CE2-CD1 3.67Å; Y529-Y532 HydrophobicContact CE2-CE1 4.13Å; Y529-Y532 WeakPolarHBondContact O-CB 3.42Å; Y529-Y532 PolarHBondContact O-N 3.27Å; Y532-Y534 PolarHBondContact O-N 3.02Å; Y532-F535 PolarHBondContact O-N 3.3Å; Y532-F536 HydrophobicContact CD2-CB 4.36Å; Y532-F536 AromaticContact CD2-CD2 3.41Å; Y532-F536 HydrophobicContact CD2-CD2 3.41Å; Y532-F536 VanDerWaalsContact CD2-CD2 3.41Å; Y532-F536 HydrophobicContact CD2-CE2 4.01Å; Y532-F536 HydrophobicContact CD2-CG 4.14Å; Y532-F536 HydrophobicContact CE2-CB 4.01Å; Y532-F536 AromaticContact CE2-CD2 3.69Å; Y532-F536 HydrophobicContact CE2-CD2 3.69Å; Y532-F536 HydrophobicContact CE2-CE2 4.4Å; Y532-F536 AromaticContact CE2-CG 3.96Å; Y532-F536 HydrophobicContact CE2-CG 3.96Å; Y532-F536 HydrophobicContact CG-CD2 4.18Å; Y532-F536 WeakPolarHBondContact O-CB 3.33Å; Y532-F536 WeakPolarHBondContact O-CD2 3.47Å; Y532-F536 PolarHBondContact O-N 3.36Å; Y532-K537 HydrophobicContact CE1-CG 4.45Å
533	Y	93.2	Very high	93.1	Very high	7 Å²	7	65.4 Å²	65.4	3%	0.027	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-44.5	179.4	-171.3	-89.8	0	0	0	111.6	Y463 F466 T467 W470 Y529 F531 K537 T538 Y549	Y463-Y533 HydrophobicContact CD2-CD2 4.28Å; Y463-Y533 AromaticContact CD2-CE2 3.91Å; Y463-Y533 HydrophobicContact CD2-CE2 3.91Å; Y463-Y533 AromaticContact CE2-CE2 3.89Å; Y463-Y533 HydrophobicContact CE2-CE2 3.89Å; F466-Y533 HydrophobicContact CB-CD1 4.32Å; F466-Y533 HydrophobicContact CB-CD2 4.11Å; F466-Y533 HydrophobicContact CB-CE1 4.11Å; F466-Y533 HydrophobicContact CB-CE2 3.9Å; F466-Y533 HydrophobicContact CB-CG 4.33Å; F466-Y533 HydrophobicContact CD2-CD1 4.1Å; F466-Y533 HydrophobicContact CD2-CD2 4.05Å; F466-Y533 AromaticContact CD2-CG 3.75Å; F466-Y533 HydrophobicContact CD2-CG 3.75Å; T467-Y533 VanDerWaalsContact CA-OH 3.24Å; T467-Y533 WeakPolarHBondContact CA-OH 3.39Å; T467-Y533 PolarHBondContact N-OH 3.05Å; T467-Y533 PolarHBondContact OG1-OH 3.24Å; W470-Y533 HydrophobicContact CB-CE1 4.23Å; Y529-Y533 HydrophobicContact CE1-CD2 4.5Å; Y529-Y533 WeakPolarHBondContact O-CB 3.5Å; Y529-Y533 PolarHBondContact O-N 3.44Å; F531-Y533 VanDerWaalsContact C-N 3.31Å; F531-Y533 PolarHBondContact O-N 3.31Å; Y533-K537 HydrophobicContact CD2-CB 3.78Å; Y533-K537 HydrophobicContact CD2-CG 3.96Å; Y533-K537 HydrophobicContact CE2-CB 3.81Å; Y533-K537 HydrophobicContact CE2-CG 4.23Å; Y533-K537 HydrophobicContact CG-CB 4.13Å; Y533-K537 WeakPolarHBondContact O-CA 3.39Å; Y533-K537 VanDerWaalsContact O-CB 3.31Å; Y533-K537 WeakPolarHBondContact O-CB 3.13Å; Y533-K537 PolarHBondContact O-N 2.74Å; Y533-T538 HydrophobicContact CD1-CG2 3.63Å; Y533-T538 HydrophobicContact CE1-CG2 3.35Å; Y533-T538 PolarHBondContact O-N 2.89Å; Y533-T538 VanDerWaalsContact O-N 3.13Å; Y533-Y549 HydrophobicContact CD1-CE2 4.43Å
534	Y	93	Very high	92.9	Very high	17 Å²	17	65 Å²	65	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-56.9	-54.3	177.8	-174.1	-96.4	0	0	0	111.8	S530 F531 Y532 T538 M540 T546 Y549 F550	S530-Y534 WeakPolarHBondContact O-CB 3.33Å; S530-Y534 PolarHBondContact O-N 3.41Å; F531-Y534 PolarHBondContact O-N 3.38Å; Y532-Y534 PolarHBondContact O-N 3.02Å; Y534-T538 PolarHBondContact O-OG1 3.46Å; Y534-M540 HydrophobicContact CE2-CB 3.76Å; Y534-M540 HydrophobicContact CE2-SD 4.43Å; Y534-M540 PolarHBondContact OH-O 3.36Å; Y534-T546 PolarHBondContact OH-OG1 3.47Å; Y534-Y549 AromaticContact CD2-CD1 3.54Å; Y534-Y549 HydrophobicContact CD2-CD1 3.54Å; Y534-Y549 HydrophobicContact CD2-CD2 4.3Å; Y534-Y549 AromaticContact CD2-CE1 3.77Å; Y534-Y549 HydrophobicContact CD2-CE1 3.77Å; Y534-Y549 HydrophobicContact CD2-CE2 4.49Å; Y534-Y549 AromaticContact CD2-CG 3.83Å; Y534-Y549 HydrophobicContact CD2-CG 3.83Å; Y534-Y549 HydrophobicContact CE2-CD1 4.26Å; Y534-Y549 HydrophobicContact CE2-CG 4.3Å; Y534-Y549 HydrophobicContact CG-CD1 4.24Å; Y534-Y549 HydrophobicContact CG-CE1 4.12Å; Y534-F550 AromaticContact CD1-CE2 3.94Å; Y534-F550 HydrophobicContact CD1-CE2 3.94Å; Y534-F550 AromaticContact CD1-CZ 3.98Å; Y534-F550 HydrophobicContact CD1-CZ 3.98Å; Y534-F550 HydrophobicContact CD2-CE2 4.07Å; Y534-F550 HydrophobicContact CD2-CZ 4.32Å; Y534-F550 HydrophobicContact CE1-CE2 4.19Å; Y534-F550 HydrophobicContact CE2-CE2 4.3Å; Y534-F550 AromaticContact CG-CE2 3.89Å; Y534-F550 HydrophobicContact CG-CE2 3.89Å; Y534-F550 AromaticContact CG-CZ 3.8Å; Y534-F550 HydrophobicContact CG-CZ 3.8Å
535	F	92.6	Very high	92.6	Very high	138 Å²	138	61 Å²	61	61%	0.605	28%	0.278	S	S	*	.	H	α-helix	trans	-77.1	-32.9	-173.7	-70.2	-64.8	0	0	0	114.6	F531 Y532	F531-F535 HydrophobicContact CD1-CE2 4.12Å; F531-F535 WeakPolarHBondContact O-CD2 3.34Å; F531-F535 PolarHBondContact O-N 3.35Å; F531-F535 VanDerWaalsContact O-N 3.08Å; Y532-F535 PolarHBondContact O-N 3.3Å
536	F	91.4	Very high	92.5	Very high	149 Å²	149	60.6 Å²	60.6	65%	0.654	28%	0.28	S	S	*	.	H	α-helix	trans	-109.3	-16.3	-170.7	-63.9	-77.3	0	0	0	114.5	Y532	Y532-F536 HydrophobicContact CD2-CB 4.36Å; Y532-F536 AromaticContact CD2-CD2 3.41Å; Y532-F536 HydrophobicContact CD2-CD2 3.41Å; Y532-F536 VanDerWaalsContact CD2-CD2 3.41Å; Y532-F536 HydrophobicContact CD2-CE2 4.01Å; Y532-F536 HydrophobicContact CD2-CG 4.14Å; Y532-F536 HydrophobicContact CE2-CB 4.01Å; Y532-F536 AromaticContact CE2-CD2 3.69Å; Y532-F536 HydrophobicContact CE2-CD2 3.69Å; Y532-F536 HydrophobicContact CE2-CE2 4.4Å; Y532-F536 AromaticContact CE2-CG 3.96Å; Y532-F536 HydrophobicContact CE2-CG 3.96Å; Y532-F536 HydrophobicContact CG-CD2 4.18Å; Y532-F536 WeakPolarHBondContact O-CB 3.33Å; Y532-F536 WeakPolarHBondContact O-CD2 3.47Å; Y532-F536 PolarHBondContact O-N 3.36Å
537	K	89.5	Confident	92.4	Very high	110 Å²	110	61.9 Å²	61.9	48%	0.478	29%	0.289	S	S	.	.	H	α-helix	trans	-116.9	-23.4	-178.6	-62.1	-63.9	-176.7	-179.7	0	113.6	Y532 Y533	Y532-K537 HydrophobicContact CE1-CG 4.45Å; Y533-K537 HydrophobicContact CD2-CB 3.78Å; Y533-K537 HydrophobicContact CD2-CG 3.96Å; Y533-K537 HydrophobicContact CE2-CB 3.81Å; Y533-K537 HydrophobicContact CE2-CG 4.23Å; Y533-K537 HydrophobicContact CG-CB 4.13Å; Y533-K537 WeakPolarHBondContact O-CA 3.39Å; Y533-K537 VanDerWaalsContact O-CB 3.31Å; Y533-K537 WeakPolarHBondContact O-CB 3.13Å; Y533-K537 PolarHBondContact O-N 2.74Å
538	T	88.7	Confident	92.2	Very high	22 Å²	22	59.3 Å²	59.3	14%	0.135	28%	0.28	C	S	.	.			trans	-105.8	157.6	176.8	81	0	0	0	0	112	Y533 Y534 M540	Y533-T538 HydrophobicContact CD1-CG2 3.63Å; Y533-T538 HydrophobicContact CE1-CG2 3.35Å; Y533-T538 PolarHBondContact O-N 2.89Å; Y533-T538 VanDerWaalsContact O-N 3.13Å; Y534-T538 PolarHBondContact O-OG1 3.46Å; T538-M540 HydrophobicContact CG2-CE 4.29Å; T538-M540 HydrophobicContact CG2-SD 4.29Å
539	K	88.2	Confident	92.2	Very high	157 Å²	157	54.6 Å²	54.6	68%	0.683	26%	0.256	S	S	*	.			trans	-107.1	23.3	169.9	-64.7	-175	176.8	-176.6	0	111.4	Y541	K539-Y541 WeakPolarHBondContact O-CD1 3.49Å
540	M	90	Very high	92.2	Very high	20 Å²	20	55.1 Å²	55.1	10%	0.099	26%	0.259	C	S	.	.			trans	-69.3	141.1	-177	-69.8	176.2	-175.8	0	0	110.9	H49 W470 Y534 T538 Q545 Y549	H49-M540 WeakPolarHBondContact O-CG 3.43Å; W470-M540 HydrophobicContact CB-CE 3.81Å; W470-M540 HydrophobicContact CE3-CE 4.48Å; W470-M540 WeakPolarHBondContact O-CE 3.34Å; Y534-M540 HydrophobicContact CE2-CB 3.76Å; Y534-M540 HydrophobicContact CE2-SD 4.43Å; Y534-M540 PolarHBondContact OH-O 3.36Å; T538-M540 HydrophobicContact CG2-CE 4.29Å; T538-M540 HydrophobicContact CG2-SD 4.29Å; M540-Q545 HydrophobicContact CB-CG 3.78Å; M540-Q545 HydrophobicContact CG-CG 3.89Å; M540-Q545 HydrophobicContact SD-CG 4.06Å; M540-Q545 PolarHBondContact SD-NE2 2.98Å; M540-Y549 HydrophobicContact SD-CD2 4.2Å
541	Y	89.8	Confident	92.3	Very high	97 Å²	97	56 Å²	56	38%	0.38	27%	0.268	S	S	.	.			trans	-145.8	173.7	177	62	-92.8	0	0	0	111.2	H49 N50 N123 K539 Q545	H49-Y541 HydrophobicContact CB-CD1 4.29Å; H49-Y541 HydrophobicContact CB-CE1 3.79Å; N50-Y541 PolarHBondContact ND2-O 2.83Å; N50-Y541 PolarHBondContact OD1-N 3.43Å; N50-Y541 PolarHBondContact OD1-O 3.44Å; N50-Y541 VanDerWaalsContact OD1-O 3.09Å; N123-Y541 PolarHBondContact OD1-OH 2.96Å; K539-Y541 WeakPolarHBondContact O-CD1 3.49Å; Y541-Q545 WeakPolarHBondContact O-CB 3.49Å
542	G	90.1	Very high	92.2	Very high	34 Å²	34	55.5 Å²	55.5	35%	0.351	26%	0.264	S	S	.	.	S	Bend	trans	85.2	152.5	176.7	0	0	0	0	0	113.6	F544 T546	G542-F544 PolarHBondContact O-N 3.31Å; G542-T546 VanDerWaalsContact O-CB 3.29Å; G542-T546 WeakPolarHBondContact O-CB 3.42Å; G542-T546 PolarHBondContact O-N 2.98Å; G542-T546 PolarHBondContact O-OG1 3.09Å
543	L	91.4	Very high	92.3	Very high	101 Å²	101	50.8 Å²	50.8	53%	0.529	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-40.7	-169.7	-177.6	143.9	0	0	0	112.3	I377 Y381 S547	I377-L543 HydrophobicContact CD1-CD2 4.01Å; I377-L543 HydrophobicContact CG1-CD2 4.34Å; I377-L543 HydrophobicContact CG2-CD2 3.46Å; I377-L543 VanDerWaalsContact CG2-CD2 3.46Å; Y381-L543 HydrophobicContact CE2-CD2 4.36Å; L543-S547 VanDerWaalsContact O-CB 3.27Å; L543-S547 WeakPolarHBondContact O-CB 3.28Å; L543-S547 PolarHBondContact O-N 3.41Å; L543-S547 PolarHBondContact O-OG 3.24Å
544	F	91.6	Very high	92.4	Very high	1 Å²	1	52 Å²	52	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-54.1	-179.5	-178.4	-118.2	0	0	0	112.2	Q52 E53 I374 I377 A378 Y381 A383 G542 T546 S547 F548	Q52-F544 VanDerWaalsContact O-CE1 3.22Å; Q52-F544 WeakPolarHBondContact O-CE1 3.3Å; E53-F544 HydrophobicContact CB-CD1 3.83Å; E53-F544 HydrophobicContact CB-CE1 4.36Å; E53-F544 HydrophobicContact CG-CD1 3.94Å; I374-F544 HydrophobicContact CG2-CE2 4.2Å; I377-F544 HydrophobicContact CB-CD2 4.16Å; I377-F544 HydrophobicContact CG2-CB 4.14Å; I377-F544 HydrophobicContact CG2-CD2 3.69Å; I377-F544 HydrophobicContact CG2-CG 4.4Å; A378-F544 HydrophobicContact CB-CE2 3.55Å; A378-F544 HydrophobicContact CB-CZ 3.87Å; Y381-F544 HydrophobicContact CD2-CB 4.13Å; Y381-F544 HydrophobicContact CE2-CB 4.16Å; Y381-F544 HydrophobicContact CG-CB 4.35Å; A383-F544 HydrophobicContact CB-CE1 4.16Å; A383-F544 HydrophobicContact CB-CZ 4.25Å; G542-F544 PolarHBondContact O-N 3.31Å; F544-T546 VanDerWaalsContact C-N 3.33Å; F544-T546 PolarHBondContact O-N 2.88Å; F544-S547 PolarHBondContact O-N 3.02Å; F544-F548 WeakPolarHBondContact O-CB 3.49Å; F544-F548 PolarHBondContact O-N 3.47Å
545	Q	91.8	Very high	92.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-43.7	177.7	-176.3	70.1	38.3	0	0	112	N50 M540 Y541 F548 Y549	N50-Q545 VanDerWaalsContact CA-OE1 3.24Å; N50-Q545 HydrophobicContact CB-CB 3.98Å; N50-Q545 HydrophobicContact CB-CG 3.92Å; M540-Q545 HydrophobicContact CB-CG 3.78Å; M540-Q545 HydrophobicContact CG-CG 3.89Å; M540-Q545 HydrophobicContact SD-CG 4.06Å; M540-Q545 PolarHBondContact SD-NE2 2.98Å; Y541-Q545 WeakPolarHBondContact O-CB 3.49Å; Q545-F548 PolarHBondContact O-N 2.98Å; Q545-Y549 WeakPolarHBondContact O-CB 3.37Å; Q545-Y549 PolarHBondContact O-N 3.47Å
546	T	93.6	Very high	92.7	Very high	42 Å²	42	49.1 Å²	49.1	26%	0.258	25%	0.246	S	C	.	.	H	α-helix	trans	-62.5	-48.4	178.8	-53.9	0	0	0	0	111.2	Y534 G542 F544 F548 Y549 F550	Y534-T546 PolarHBondContact OH-OG1 3.47Å; G542-T546 VanDerWaalsContact O-CB 3.29Å; G542-T546 WeakPolarHBondContact O-CB 3.42Å; G542-T546 PolarHBondContact O-N 2.98Å; G542-T546 PolarHBondContact O-OG1 3.09Å; F544-T546 VanDerWaalsContact C-N 3.33Å; F544-T546 PolarHBondContact O-N 2.88Å; T546-F548 VanDerWaalsContact C-N 3.34Å; T546-F548 PolarHBondContact O-N 2.8Å; T546-Y549 PolarHBondContact O-N 3Å; T546-F550 HydrophobicContact CG2-CD2 3.7Å; T546-F550 HydrophobicContact CG2-CE2 3.88Å; T546-F550 WeakPolarHBondContact O-CD2 3.2Å; T546-F550 PolarHBondContact O-N 3.42Å
547	S	94.4	Very high	93	Very high	27 Å²	27	42.2 Å²	42.2	19%	0.189	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-38.9	-179.2	-56.8	0	0	0	0	111.5	L543 F544 G551	L543-S547 VanDerWaalsContact O-CB 3.27Å; L543-S547 WeakPolarHBondContact O-CB 3.28Å; L543-S547 PolarHBondContact O-N 3.41Å; L543-S547 PolarHBondContact O-OG 3.24Å; F544-S547 PolarHBondContact O-N 3.02Å; S547-G551 WeakPolarHBondContact O-CA 3.4Å; S547-G551 PolarHBondContact O-N 2.99Å
548	F	93.1	Very high	93.4	Very high	20 Å²	20	39.8 Å²	39.8	9%	0.088	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-50.7	174.7	-166.9	-77.1	0	0	0	110.8	Q52 I374 R385 W470 F544 Q545 T546 Y552	Q52-F548 HydrophobicContact CB-CD1 4.07Å; Q52-F548 HydrophobicContact CB-CG 4.24Å; Q52-F548 HydrophobicContact CG-CD1 3.8Å; Q52-F548 HydrophobicContact CG-CE1 4.01Å; Q52-F548 HydrophobicContact CG-CG 4.47Å; I374-F548 HydrophobicContact CG2-CB 4.44Å; I374-F548 HydrophobicContact CG2-CD2 3.51Å; I374-F548 HydrophobicContact CG2-CE2 4.14Å; I374-F548 HydrophobicContact CG2-CG 4.37Å; R385-F548 VanDerWaalsContact CZ-CE2 3.41Å; R385-F548 VanDerWaalsContact CZ-CZ 3.45Å; W470-F548 AromaticContact CH2-CD1 3.95Å; W470-F548 HydrophobicContact CH2-CD1 3.95Å; W470-F548 HydrophobicContact CH2-CE1 4.06Å; W470-F548 AromaticContact CZ3-CD1 3.78Å; W470-F548 HydrophobicContact CZ3-CD1 3.78Å; W470-F548 HydrophobicContact CZ3-CE1 4Å; F544-F548 WeakPolarHBondContact O-CB 3.49Å; F544-F548 PolarHBondContact O-N 3.47Å; Q545-F548 PolarHBondContact O-N 2.98Å; T546-F548 VanDerWaalsContact C-N 3.34Å; T546-F548 PolarHBondContact O-N 2.8Å; F548-Y552 AromaticContact CD1-CD2 3.69Å; F548-Y552 HydrophobicContact CD1-CD2 3.69Å; F548-Y552 HydrophobicContact CD1-CE2 4.17Å; F548-Y552 HydrophobicContact CD2-CD2 4.02Å; F548-Y552 AromaticContact CD2-CE2 3.69Å; F548-Y552 HydrophobicContact CD2-CE2 3.69Å; F548-Y552 AromaticContact CE1-CD2 3.4Å; F548-Y552 HydrophobicContact CE1-CD2 3.4Å; F548-Y552 AromaticContact CE1-CE2 3.72Å; F548-Y552 HydrophobicContact CE1-CE2 3.72Å; F548-Y552 HydrophobicContact CE1-CG 4.17Å; F548-Y552 AromaticContact CE2-CD2 3.71Å; F548-Y552 HydrophobicContact CE2-CD2 3.71Å; F548-Y552 AromaticContact CE2-CE2 3.13Å; F548-Y552 HydrophobicContact CE2-CE2 3.13Å; F548-Y552 AromaticContact CE2-CZ 3.98Å; F548-Y552 AromaticContact CG-CD2 3.97Å; F548-Y552 HydrophobicContact CG-CD2 3.97Å; F548-Y552 HydrophobicContact CG-CE2 4.14Å; F548-Y552 AromaticContact CZ-CD2 3.37Å; F548-Y552 HydrophobicContact CZ-CD2 3.37Å; F548-Y552 AromaticContact CZ-CE2 3.13Å; F548-Y552 HydrophobicContact CZ-CE2 3.13Å; F548-Y552 HydrophobicContact CZ-CG 4.28Å; F548-Y552 AromaticContact CZ-CZ 3.87Å; F548-Y552 WeakPolarHBondContact O-CD2 3.34Å; F548-Y552 PolarHBondContact O-N 3.07Å; F548-Y552 VanDerWaalsContact O-N 3.09Å
549	Y	94.6	Very high	93.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.9	-60	179.5	178.5	-90.2	0	0	0	111.7	W470 S530 Y533 Y534 M540 Q545 T546 G551 Y552 M553	W470-Y549 HydrophobicContact CB-CE2 4.39Å; W470-Y549 AromaticContact CD1-CE2 3.56Å; W470-Y549 AromaticContact CD2-CD2 3.41Å; W470-Y549 HydrophobicContact CD2-CD2 3.41Å; W470-Y549 VanDerWaalsContact CD2-CD2 3.41Å; W470-Y549 AromaticContact CD2-CE2 3.65Å; W470-Y549 HydrophobicContact CD2-CE2 3.65Å; W470-Y549 AromaticContact CE2-CD2 3.5Å; W470-Y549 VanDerWaalsContact CE2-CD2 3.5Å; W470-Y549 AromaticContact CE2-CE2 3.61Å; W470-Y549 AromaticContact CE3-CD2 3.66Å; W470-Y549 HydrophobicContact CE3-CD2 3.66Å; W470-Y549 HydrophobicContact CE3-CE2 4.35Å; W470-Y549 AromaticContact CG-CD2 3.87Å; W470-Y549 HydrophobicContact CG-CD2 3.87Å; W470-Y549 AromaticContact CG-CE2 3.63Å; W470-Y549 HydrophobicContact CG-CE2 3.63Å; W470-Y549 HydrophobicContact CH2-CD2 4.1Å; W470-Y549 AromaticContact CZ2-CD2 3.86Å; W470-Y549 HydrophobicContact CZ2-CD2 3.86Å; W470-Y549 HydrophobicContact CZ2-CE2 4.3Å; W470-Y549 HydrophobicContact CZ2-CG 4.48Å; W470-Y549 AromaticContact CZ3-CD2 4Å; W470-Y549 HydrophobicContact CZ3-CD2 4Å; W470-Y549 AromaticContact NE1-CD2 3.94Å; W470-Y549 AromaticContact NE1-CE2 3.53Å; S530-Y549 WeakPolarHBondContact O-CE1 3.01Å; S530-Y549 PolarHBondContact O-OH 3.12Å; Y533-Y549 HydrophobicContact CD1-CE2 4.43Å; Y534-Y549 AromaticContact CD2-CD1 3.54Å; Y534-Y549 HydrophobicContact CD2-CD1 3.54Å; Y534-Y549 HydrophobicContact CD2-CD2 4.3Å; Y534-Y549 AromaticContact CD2-CE1 3.77Å; Y534-Y549 HydrophobicContact CD2-CE1 3.77Å; Y534-Y549 HydrophobicContact CD2-CE2 4.49Å; Y534-Y549 AromaticContact CD2-CG 3.83Å; Y534-Y549 HydrophobicContact CD2-CG 3.83Å; Y534-Y549 HydrophobicContact CE2-CD1 4.26Å; Y534-Y549 HydrophobicContact CE2-CG 4.3Å; Y534-Y549 HydrophobicContact CG-CD1 4.24Å; Y534-Y549 HydrophobicContact CG-CE1 4.12Å; M540-Y549 HydrophobicContact SD-CD2 4.2Å; Q545-Y549 WeakPolarHBondContact O-CB 3.37Å; Q545-Y549 PolarHBondContact O-N 3.47Å; T546-Y549 PolarHBondContact O-N 3Å; Y549-G551 PolarHBondContact O-N 3.41Å; Y549-Y552 PolarHBondContact O-N 2.98Å; Y549-M553 HydrophobicContact CD1-CG 4.24Å; Y549-M553 HydrophobicContact CD2-CG 4.45Å; Y549-M553 HydrophobicContact CE1-CG 3.97Å; Y549-M553 HydrophobicContact CE2-CG 4.21Å; Y549-M553 HydrophobicContact CG-CG 4.47Å; Y549-M553 VanDerWaalsContact O-CB 3.28Å; Y549-M553 WeakPolarHBondContact O-CB 3.49Å; Y549-M553 WeakPolarHBondContact O-CG 3.27Å; Y549-M553 PolarHBondContact O-N 3.12Å
550	F	95.9	Very high	94.2	Very high	29 Å²	29	33.2 Å²	33.2	13%	0.127	19%	0.186	C	C	.	.	H	α-helix	trans	-68.5	-34.2	-175.2	-75.9	-69.9	0	0	0	112.9	F531 Y534 T546 M553 A554	F531-F550 AromaticContact CD1-CE1 3.47Å; F531-F550 HydrophobicContact CD1-CE1 3.47Å; F531-F550 VanDerWaalsContact CD1-CE1 3.47Å; F531-F550 AromaticContact CD1-CZ 3.66Å; F531-F550 HydrophobicContact CD1-CZ 3.66Å; F531-F550 AromaticContact CD2-CE1 3.92Å; F531-F550 HydrophobicContact CD2-CE1 3.92Å; F531-F550 HydrophobicContact CE1-CD1 4.1Å; F531-F550 AromaticContact CE1-CE1 3.44Å; F531-F550 HydrophobicContact CE1-CE1 3.44Å; F531-F550 VanDerWaalsContact CE1-CE1 3.44Å; F531-F550 AromaticContact CE1-CZ 3.77Å; F531-F550 HydrophobicContact CE1-CZ 3.77Å; F531-F550 HydrophobicContact CE2-CD1 4.2Å; F531-F550 AromaticContact CE2-CE1 3.88Å; F531-F550 HydrophobicContact CE2-CE1 3.88Å; F531-F550 AromaticContact CG-CE1 3.72Å; F531-F550 HydrophobicContact CG-CE1 3.72Å; F531-F550 HydrophobicContact CG-CZ 4.23Å; F531-F550 AromaticContact CZ-CD1 3.93Å; F531-F550 HydrophobicContact CZ-CD1 3.93Å; F531-F550 AromaticContact CZ-CE1 3.65Å; F531-F550 HydrophobicContact CZ-CE1 3.65Å; F531-F550 HydrophobicContact CZ-CZ 4.42Å; Y534-F550 AromaticContact CD1-CE2 3.94Å; Y534-F550 HydrophobicContact CD1-CE2 3.94Å; Y534-F550 AromaticContact CD1-CZ 3.98Å; Y534-F550 HydrophobicContact CD1-CZ 3.98Å; Y534-F550 HydrophobicContact CD2-CE2 4.07Å; Y534-F550 HydrophobicContact CD2-CZ 4.32Å; Y534-F550 HydrophobicContact CE1-CE2 4.19Å; Y534-F550 HydrophobicContact CE2-CE2 4.3Å; Y534-F550 AromaticContact CG-CE2 3.89Å; Y534-F550 HydrophobicContact CG-CE2 3.89Å; Y534-F550 AromaticContact CG-CZ 3.8Å; Y534-F550 HydrophobicContact CG-CZ 3.8Å; T546-F550 HydrophobicContact CG2-CD2 3.7Å; T546-F550 HydrophobicContact CG2-CE2 3.88Å; T546-F550 WeakPolarHBondContact O-CD2 3.2Å; T546-F550 PolarHBondContact O-N 3.42Å; F550-M553 PolarHBondContact O-N 2.83Å; F550-A554 WeakPolarHBondContact O-CB 3.19Å; F550-A554 PolarHBondContact O-N 3.29Å
551	G	95.6	Very high	94.5	Very high	17 Å²	17	32.5 Å²	32.5	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-53.1	176.4	0	0	0	0	0	112.1	S547 Y549 M553 A554 V555	S547-G551 WeakPolarHBondContact O-CA 3.4Å; S547-G551 PolarHBondContact O-N 2.99Å; Y549-G551 PolarHBondContact O-N 3.41Å; G551-M553 PolarHBondContact O-N 2.78Å; G551-A554 WeakPolarHBondContact O-CB 3.3Å; G551-A554 PolarHBondContact O-N 3.49Å; G551-V555 PolarHBondContact O-N 2.68Å; G551-V555 VanDerWaalsContact O-N 3.12Å
552	Y	94.1	Very high	94.9	Very high	73 Å²	73	28.6 Å²	28.6	29%	0.286	17%	0.169	S	C	.	.	H	α-helix	trans	-70.7	-30.8	178.6	-78	-80.2	0	0	0	112.7	I374 F548 Y549 A554 V555 F556	I374-Y552 HydrophobicContact CD1-CD2 3.55Å; I374-Y552 HydrophobicContact CD1-CE2 3.35Å; I374-Y552 HydrophobicContact CG2-CE2 4.47Å; F548-Y552 AromaticContact CD1-CD2 3.69Å; F548-Y552 HydrophobicContact CD1-CD2 3.69Å; F548-Y552 HydrophobicContact CD1-CE2 4.17Å; F548-Y552 HydrophobicContact CD2-CD2 4.02Å; F548-Y552 AromaticContact CD2-CE2 3.69Å; F548-Y552 HydrophobicContact CD2-CE2 3.69Å; F548-Y552 AromaticContact CE1-CD2 3.4Å; F548-Y552 HydrophobicContact CE1-CD2 3.4Å; F548-Y552 AromaticContact CE1-CE2 3.72Å; F548-Y552 HydrophobicContact CE1-CE2 3.72Å; F548-Y552 HydrophobicContact CE1-CG 4.17Å; F548-Y552 AromaticContact CE2-CD2 3.71Å; F548-Y552 HydrophobicContact CE2-CD2 3.71Å; F548-Y552 AromaticContact CE2-CE2 3.13Å; F548-Y552 HydrophobicContact CE2-CE2 3.13Å; F548-Y552 AromaticContact CE2-CZ 3.98Å; F548-Y552 AromaticContact CG-CD2 3.97Å; F548-Y552 HydrophobicContact CG-CD2 3.97Å; F548-Y552 HydrophobicContact CG-CE2 4.14Å; F548-Y552 AromaticContact CZ-CD2 3.37Å; F548-Y552 HydrophobicContact CZ-CD2 3.37Å; F548-Y552 AromaticContact CZ-CE2 3.13Å; F548-Y552 HydrophobicContact CZ-CE2 3.13Å; F548-Y552 HydrophobicContact CZ-CG 4.28Å; F548-Y552 AromaticContact CZ-CZ 3.87Å; F548-Y552 WeakPolarHBondContact O-CD2 3.34Å; F548-Y552 PolarHBondContact O-N 3.07Å; F548-Y552 VanDerWaalsContact O-N 3.09Å; Y549-Y552 PolarHBondContact O-N 2.98Å; Y552-A554 VanDerWaalsContact C-N 3.33Å; Y552-A554 PolarHBondContact O-N 3.39Å; Y552-V555 PolarHBondContact O-N 3.21Å; Y552-F556 WeakPolarHBondContact O-CB 3.44Å; Y552-F556 PolarHBondContact O-N 3.1Å
553	M	95.4	Very high	95.3	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-35.9	171.8	-74.5	-48.6	-50.8	0	0	112.6	F466 W470 Y527 Y549 F550 G551 F556 S557	F466-M553 HydrophobicContact CD1-CE 4.36Å; F466-M553 HydrophobicContact CE1-CE 3.39Å; F466-M553 HydrophobicContact CE1-SD 4.24Å; F466-M553 HydrophobicContact CE2-CE 3.97Å; F466-M553 HydrophobicContact CZ-CE 3.17Å; F466-M553 HydrophobicContact CZ-SD 4.3Å; W470-M553 HydrophobicContact CZ2-CG 3.85Å; W470-M553 HydrophobicContact CZ2-SD 3.73Å; W470-M553 PolarHBondContact NE1-SD 2.82Å; Y527-M553 HydrophobicContact CD2-CB 4.38Å; Y527-M553 HydrophobicContact CE2-CB 4.21Å; Y549-M553 HydrophobicContact CD1-CG 4.24Å; Y549-M553 HydrophobicContact CD2-CG 4.45Å; Y549-M553 HydrophobicContact CE1-CG 3.97Å; Y549-M553 HydrophobicContact CE2-CG 4.21Å; Y549-M553 HydrophobicContact CG-CG 4.47Å; Y549-M553 VanDerWaalsContact O-CB 3.28Å; Y549-M553 WeakPolarHBondContact O-CB 3.49Å; Y549-M553 WeakPolarHBondContact O-CG 3.27Å; Y549-M553 PolarHBondContact O-N 3.12Å; F550-M553 PolarHBondContact O-N 2.83Å; G551-M553 PolarHBondContact O-N 2.78Å; M553-F556 HydrophobicContact CE-CD1 3.79Å; M553-F556 HydrophobicContact CE-CE1 4.43Å; M553-S557 VanDerWaalsContact O-CB 3.26Å; M553-S557 WeakPolarHBondContact O-CB 3.15Å; M553-S557 PolarHBondContact O-N 3.09Å; M553-S557 PolarHBondContact O-OG 2.91Å
554	A	96.3	Very high	95.6	Very high	32 Å²	32	22.9 Å²	22.9	26%	0.264	13%	0.131	S	C	.	.	H	α-helix	trans	-67	-42.4	174.5	0	0	0	0	0	111.6	Y527 F550 G551 Y552 T558	Y527-A554 HydrophobicContact CE2-CB 3.83Å; F550-A554 WeakPolarHBondContact O-CB 3.19Å; F550-A554 PolarHBondContact O-N 3.29Å; G551-A554 WeakPolarHBondContact O-CB 3.3Å; G551-A554 PolarHBondContact O-N 3.49Å; Y552-A554 VanDerWaalsContact C-N 3.33Å; Y552-A554 PolarHBondContact O-N 3.39Å; A554-T558 VanDerWaalsContact O-CB 3.28Å; A554-T558 WeakPolarHBondContact O-CB 2.92Å; A554-T558 PolarHBondContact O-N 2.87Å; A554-T558 PolarHBondContact O-OG1 3.14Å
555	V	96.8	Very high	95.9	Very high	20 Å²	20	22.9 Å²	22.9	12%	0.121	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-49.8	174	172.1	0	0	0	0	110.8	M366 V367 T370 G551 Y552 S557 T558 A559	M366-V555 HydrophobicContact CE-CG1 4.33Å; V367-V555 HydrophobicContact CG2-CG1 3.91Å; T370-V555 HydrophobicContact CG2-CG2 3.81Å; T370-V555 WeakPolarHBondContact OG1-CG2 3.41Å; G551-V555 PolarHBondContact O-N 2.68Å; G551-V555 VanDerWaalsContact O-N 3.12Å; Y552-V555 PolarHBondContact O-N 3.21Å; V555-S557 PolarHBondContact O-N 2.82Å; V555-T558 PolarHBondContact O-N 2.75Å; V555-A559 WeakPolarHBondContact O-CB 3.48Å; V555-A559 PolarHBondContact O-N 2.95Å
556	F	95.6	Very high	96.2	Very high	74 Å²	74	22.9 Å²	22.9	33%	0.325	13%	0.132	S	C	.	.	H	α-helix	trans	-57.8	-49.2	178.1	173.3	-100.4	0	0	0	111.8	M462 F466 V526 Y552 M553 T558 A559 L560	M462-F556 HydrophobicContact CE-CE1 3.87Å; M462-F556 HydrophobicContact CE-CZ 4.07Å; M462-F556 HydrophobicContact SD-CE1 3.78Å; M462-F556 HydrophobicContact SD-CZ 4.02Å; F466-F556 HydrophobicContact CE1-CE1 4.23Å; V526-F556 HydrophobicContact CG1-CD1 4.37Å; V526-F556 HydrophobicContact CG1-CE1 3.98Å; Y552-F556 WeakPolarHBondContact O-CB 3.44Å; Y552-F556 PolarHBondContact O-N 3.1Å; M553-F556 HydrophobicContact CE-CD1 3.79Å; M553-F556 HydrophobicContact CE-CE1 4.43Å; F556-T558 PolarHBondContact O-N 2.87Å; F556-A559 PolarHBondContact O-N 3.11Å; F556-L560 WeakPolarHBondContact O-CB 3.24Å; F556-L560 PolarHBondContact O-N 3.18Å
557	S	96.5	Very high	96.4	Very high	5 Å²	5	22.1 Å²	22.1	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-65.3	-42.2	-179	-54.5	0	0	0	0	110.6	A523 M553 V555 A559 L560 G561	A523-S557 WeakPolarHBondContact CB-O 3.22Å; M553-S557 VanDerWaalsContact O-CB 3.26Å; M553-S557 WeakPolarHBondContact O-CB 3.15Å; M553-S557 PolarHBondContact O-N 3.09Å; M553-S557 PolarHBondContact O-OG 2.91Å; V555-S557 PolarHBondContact O-N 2.82Å; S557-A559 PolarHBondContact O-N 3.25Å; S557-L560 PolarHBondContact O-N 3.46Å; S557-G561 PolarHBondContact O-N 3.14Å
558	T	97.2	Very high	96.6	Very high	59 Å²	59	20.8 Å²	20.8	36%	0.362	12%	0.118	S	C	.	.	H	α-helix	trans	-63.6	-43.4	177.4	-56	0	0	0	0	111.7	M366 A554 V555 F556 G561 I562	M366-T558 HydrophobicContact CE-CG2 4.09Å; M366-T558 HydrophobicContact SD-CG2 3.49Å; M366-T558 WeakPolarHBondContact SD-CG2 3.48Å; A554-T558 VanDerWaalsContact O-CB 3.28Å; A554-T558 WeakPolarHBondContact O-CB 2.92Å; A554-T558 PolarHBondContact O-N 2.87Å; A554-T558 PolarHBondContact O-OG1 3.14Å; V555-T558 PolarHBondContact O-N 2.75Å; F556-T558 PolarHBondContact O-N 2.87Å; T558-G561 PolarHBondContact O-N 3.07Å; T558-I562 HydrophobicContact CG2-CD1 3.9Å; T558-I562 HydrophobicContact CG2-CG1 4.42Å; T558-I562 VanDerWaalsContact O-CG1 3.29Å; T558-I562 WeakPolarHBondContact O-CG1 3.49Å; T558-I562 PolarHBondContact O-N 3.49Å
559	A	96.9	Very high	96.8	Very high	24 Å²	24	20.4 Å²	20.4	20%	0.198	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-44.5	175.7	0	0	0	0	0	111.9	I298 V555 F556 S557 G561 I562 M563	I298-A559 HydrophobicContact CD1-CB 4.25Å; V555-A559 WeakPolarHBondContact O-CB 3.48Å; V555-A559 PolarHBondContact O-N 2.95Å; F556-A559 PolarHBondContact O-N 3.11Å; S557-A559 PolarHBondContact O-N 3.25Å; A559-G561 VanDerWaalsContact C-N 3.34Å; A559-G561 PolarHBondContact O-N 2.83Å; A559-I562 PolarHBondContact O-N 2.77Å; A559-M563 WeakPolarHBondContact O-CB 3.23Å; A559-M563 PolarHBondContact O-N 3.29Å
560	L	96.8	Very high	96.9	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.089	13%	0.134	C	C	.	.	H	α-helix	trans	-59.7	-43.3	173.9	179.1	63	0	0	0	111.6	I458 M462 L488 V526 F556 S557 M563 C564	I458-L560 HydrophobicContact CD1-CD2 4.46Å; M462-L560 HydrophobicContact CE-CD2 4.06Å; L488-L560 HydrophobicContact CD2-CD1 4.02Å; V526-L560 HydrophobicContact CB-CD2 4.31Å; V526-L560 HydrophobicContact CG1-CD2 4.32Å; V526-L560 HydrophobicContact CG2-CD2 3.8Å; F556-L560 WeakPolarHBondContact O-CB 3.24Å; F556-L560 PolarHBondContact O-N 3.18Å; S557-L560 PolarHBondContact O-N 3.46Å; L560-M563 HydrophobicContact CD1-CE 3.59Å; L560-M563 PolarHBondContact O-N 2.97Å; L560-C564 WeakPolarHBondContact O-CB 3.35Å; L560-C564 PolarHBondContact O-N 3.37Å; L560-C564 PolarHBondContact O-SG 3.22Å; L560-C564 VanDerWaalsContact O-SG 3.32Å
561	G	97.7	Very high	96.8	Very high	5 Å²	5	23.6 Å²	23.6	5%	0.052	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-43	179.1	0	0	0	0	0	112.7	A520 S557 T558 A559 G565	A520-G561 WeakPolarHBondContact CA-O 3.1Å; A520-G561 VanDerWaalsContact CB-O 3.27Å; A520-G561 WeakPolarHBondContact CB-O 3.26Å; S557-G561 PolarHBondContact O-N 3.14Å; T558-G561 PolarHBondContact O-N 3.07Å; A559-G561 VanDerWaalsContact C-N 3.34Å; A559-G561 PolarHBondContact O-N 2.83Å; G561-G565 PolarHBondContact O-N 3.41Å
562	I	98.3	Very high	96.8	Very high	15 Å²	15	22.8 Å²	22.8	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-41	176.4	-66	171.4	0	0	0	110.5	L291 G295 I298 I363 T558 A559 A566	L291-I562 HydrophobicContact CD2-CD1 4.03Å; L291-I562 HydrophobicContact CD2-CG1 4.06Å; L291-I562 WeakPolarHBondContact O-CG2 3.3Å; G295-I562 WeakPolarHBondContact CA-O 3.37Å; I298-I562 HydrophobicContact CD1-CB 4.34Å; I298-I562 HydrophobicContact CD1-CG2 4.17Å; I363-I562 HydrophobicContact CD1-CD1 3.59Å; T558-I562 HydrophobicContact CG2-CD1 3.9Å; T558-I562 HydrophobicContact CG2-CG1 4.42Å; T558-I562 VanDerWaalsContact O-CG1 3.29Å; T558-I562 WeakPolarHBondContact O-CG1 3.49Å; T558-I562 PolarHBondContact O-N 3.49Å; A559-I562 PolarHBondContact O-N 2.77Å; I562-A566 WeakPolarHBondContact O-CB 3.3Å; I562-A566 PolarHBondContact O-N 3.12Å
563	M	98	Very high	96.8	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.059	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-55.3	175.1	-174.4	-177.5	65.9	0	0	111.7	I298 F299 L485 L488 A559 L560 G565 A566 V567	I298-M563 HydrophobicContact CB-CB 4.4Å; I298-M563 HydrophobicContact CG2-CB 3.9Å; I298-M563 HydrophobicContact CG2-CG 4.26Å; I298-M563 HydrophobicContact CG2-SD 4.22Å; F299-M563 HydrophobicContact CB-CG 3.86Å; F299-M563 HydrophobicContact CB-SD 4.31Å; F299-M563 HydrophobicContact CD2-CG 4.3Å; F299-M563 HydrophobicContact CD2-SD 4.19Å; L485-M563 HydrophobicContact CD1-CE 4.09Å; L485-M563 HydrophobicContact CD1-SD 4.31Å; L488-M563 HydrophobicContact CD2-CE 4.37Å; A559-M563 WeakPolarHBondContact O-CB 3.23Å; A559-M563 PolarHBondContact O-N 3.29Å; L560-M563 HydrophobicContact CD1-CE 3.59Å; L560-M563 PolarHBondContact O-N 2.97Å; M563-G565 VanDerWaalsContact C-N 3.32Å; M563-G565 PolarHBondContact O-N 3.49Å; M563-A566 PolarHBondContact O-N 3.5Å; M563-V567 WeakPolarHBondContact O-CG2 3.08Å; M563-V567 PolarHBondContact O-N 3.45Å
564	C	97.9	Very high	96.7	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-43.8	178.2	-70.9	0	0	0	0	111.2	T492 A519 L560 A566 V567 G568	T492-C564 HydrophobicContact CG2-CB 4.21Å; A519-C564 HydrophobicContact CB-CB 4.21Å; A519-C564 WeakPolarHBondContact CB-O 3.46Å; A519-C564 WeakPolarHBondContact O-CB 3.15Å; L560-C564 WeakPolarHBondContact O-CB 3.35Å; L560-C564 PolarHBondContact O-N 3.37Å; L560-C564 PolarHBondContact O-SG 3.22Å; L560-C564 VanDerWaalsContact O-SG 3.32Å; C564-A566 VanDerWaalsContact C-N 3.35Å; C564-A566 PolarHBondContact O-N 3.07Å; C564-V567 PolarHBondContact O-N 3.02Å; C564-G568 PolarHBondContact O-N 3.48Å
565	G	97.9	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-43.7	177.5	0	0	0	0	0	112.8	F516 G561 M563 Y569	F516-G565 WeakPolarHBondContact CD2-O 3.49Å; F516-G565 VanDerWaalsContact O-CA 3.28Å; F516-G565 WeakPolarHBondContact O-CA 3.45Å; G561-G565 PolarHBondContact O-N 3.41Å; M563-G565 VanDerWaalsContact C-N 3.32Å; M563-G565 PolarHBondContact O-N 3.49Å; G565-Y569 VanDerWaalsContact O-CB 3.32Å; G565-Y569 WeakPolarHBondContact O-CB 3.45Å; G565-Y569 PolarHBondContact O-N 3.41Å
566	A	98.1	Very high	96.2	Very high	1 Å²	1	22 Å²	22	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-66.5	-45	176.3	0	0	0	0	0	112.2	I292 I562 M563 C564 Y569 M570	I292-A566 HydrophobicContact CD1-CB 4.35Å; I562-A566 WeakPolarHBondContact O-CB 3.3Å; I562-A566 PolarHBondContact O-N 3.12Å; M563-A566 PolarHBondContact O-N 3.5Å; C564-A566 VanDerWaalsContact C-N 3.35Å; C564-A566 PolarHBondContact O-N 3.07Å; A566-Y569 PolarHBondContact O-N 3.5Å; A566-M570 WeakPolarHBondContact O-CB 3.45Å; A566-M570 WeakPolarHBondContact O-CG 3.48Å; A566-M570 PolarHBondContact O-N 3.4Å
567	V	97.9	Very high	95.9	Very high	25 Å²	25	23.6 Å²	23.6	15%	0.152	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-47.2	176.9	171.1	0	0	0	0	111.2	F299 C489 V493 M563 C564 M570 G571	F299-V567 HydrophobicContact CD2-CG2 4.1Å; F299-V567 HydrophobicContact CG-CG2 4.37Å; C489-V567 HydrophobicContact CB-CG1 4.18Å; V493-V567 HydrophobicContact CG2-CG1 3.81Å; M563-V567 WeakPolarHBondContact O-CG2 3.08Å; M563-V567 PolarHBondContact O-N 3.45Å; C564-V567 PolarHBondContact O-N 3.02Å; V567-M570 PolarHBondContact O-N 3.05Å; V567-G571 PolarHBondContact O-N 2.99Å
568	G	96.9	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-45.6	177	0	0	0	0	0	112.8	T496 C564 T572	T496-G568 PolarHBondContact OG1-O 3.13Å; C564-G568 PolarHBondContact O-N 3.48Å; G568-T572 VanDerWaalsContact O-CB 3.24Å; G568-T572 WeakPolarHBondContact O-CB 3.26Å; G568-T572 PolarHBondContact O-N 3.3Å; G568-T572 PolarHBondContact O-OG1 3.33Å
569	Y	97.6	Very high	94.8	Very high	11 Å²	11	28 Å²	28	4%	0.043	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-43.9	176	173	-101.4	0	0	0	112.3	F288 I292 L343 W511 Q512 G565 A566 T572 S573	F288-Y569 HydrophobicContact CE1-CD2 4.2Å; F288-Y569 HydrophobicContact CE1-CE1 4.25Å; F288-Y569 AromaticContact CE1-CE2 3.73Å; F288-Y569 HydrophobicContact CE1-CE2 3.73Å; F288-Y569 AromaticContact CE1-CZ 3.75Å; F288-Y569 AromaticContact CZ-CD2 3.59Å; F288-Y569 HydrophobicContact CZ-CD2 3.59Å; F288-Y569 HydrophobicContact CZ-CE1 4.49Å; F288-Y569 AromaticContact CZ-CE2 3.55Å; F288-Y569 HydrophobicContact CZ-CE2 3.55Å; F288-Y569 HydrophobicContact CZ-CG 4.09Å; I292-Y569 HydrophobicContact CD1-CD1 3.5Å; I292-Y569 HydrophobicContact CD1-CE1 4.35Å; I292-Y569 HydrophobicContact CD1-CG 3.67Å; I292-Y569 HydrophobicContact CG1-CD1 3.91Å; I292-Y569 HydrophobicContact CG1-CE1 4.29Å; I292-Y569 HydrophobicContact CG1-CG 4.44Å; I292-Y569 HydrophobicContact CG2-CD1 4.23Å; L343-Y569 HydrophobicContact CD1-CE1 4.42Å; L343-Y569 HydrophobicContact CD2-CE1 3.79Å; W511-Y569 HydrophobicContact CH2-CD2 4.45Å; W511-Y569 AromaticContact CH2-CE2 3.79Å; W511-Y569 HydrophobicContact CH2-CE2 3.79Å; W511-Y569 AromaticContact CZ3-CD2 3.95Å; W511-Y569 HydrophobicContact CZ3-CD2 3.95Å; W511-Y569 AromaticContact CZ3-CE2 3.71Å; W511-Y569 HydrophobicContact CZ3-CE2 3.71Å; Q512-Y569 HydrophobicContact CB-CE2 4.08Å; Q512-Y569 HydrophobicContact CG-CE2 4.1Å; G565-Y569 VanDerWaalsContact O-CB 3.32Å; G565-Y569 WeakPolarHBondContact O-CB 3.45Å; G565-Y569 PolarHBondContact O-N 3.41Å; A566-Y569 PolarHBondContact O-N 3.5Å; Y569-T572 PolarHBondContact O-N 3.21Å; Y569-S573 WeakPolarHBondContact O-CB 3.48Å; Y569-S573 PolarHBondContact O-N 3.26Å
570	M	96.8	Very high	94.3	Very high	79 Å²	79	27 Å²	27	39%	0.389	14%	0.143	S	C	.	.	H	α-helix	trans	-63.7	-45	-179.1	-72.1	-69.1	-74.7	0	0	111.4	F339 A566 V567 S573 A574	F339-M570 HydrophobicContact CD1-CE 3.9Å; F339-M570 HydrophobicContact CE1-CE 3.57Å; A566-M570 WeakPolarHBondContact O-CB 3.45Å; A566-M570 WeakPolarHBondContact O-CG 3.48Å; A566-M570 PolarHBondContact O-N 3.4Å; V567-M570 PolarHBondContact O-N 3.05Å; M570-S573 PolarHBondContact O-N 3.42Å; M570-A574 PolarHBondContact O-N 3.12Å; M570-A574 VanDerWaalsContact O-N 3.13Å
571	G	95.2	Very high	93.6	Very high	17 Å²	17	30.5 Å²	30.5	18%	0.175	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-45.7	174.9	0	0	0	0	0	112.5	V567 S573 A574 F575	V567-G571 PolarHBondContact O-N 2.99Å; G571-S573 PolarHBondContact O-N 2.97Å; G571-A574 PolarHBondContact O-N 3.09Å; G571-F575 PolarHBondContact O-N 3.27Å
572	T	94.9	Very high	92.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-39.6	177.1	-59.3	0	0	0	0	112	T496 T500 W511 G568 Y569 A574 F575 V576	T496-T572 WeakPolarHBondContact CB-OG1 3.36Å; T496-T572 PolarHBondContact OG1-OG1 2.87Å; T500-T572 HydrophobicContact CG2-CG2 3.54Å; T500-T572 WeakPolarHBondContact OG1-CG2 3.48Å; W511-T572 HydrophobicContact CE3-CG2 3.63Å; W511-T572 HydrophobicContact CZ3-CG2 3.71Å; G568-T572 VanDerWaalsContact O-CB 3.24Å; G568-T572 WeakPolarHBondContact O-CB 3.26Å; G568-T572 PolarHBondContact O-N 3.3Å; G568-T572 PolarHBondContact O-OG1 3.33Å; Y569-T572 PolarHBondContact O-N 3.21Å; T572-A574 VanDerWaalsContact C-N 3.35Å; T572-A574 PolarHBondContact O-N 3.47Å; T572-F575 WeakPolarHBondContact O-CB 3.47Å; T572-F575 PolarHBondContact O-N 3.19Å; T572-V576 HydrophobicContact CG2-CG2 4.09Å; T572-V576 WeakPolarHBondContact O-CB 3.4Å; T572-V576 VanDerWaalsContact O-CG2 3.32Å; T572-V576 WeakPolarHBondContact O-CG2 3.46Å; T572-V576 PolarHBondContact O-N 2.86Å
573	S	94.4	Very high	91.1	Very high	28 Å²	28	35.8 Å²	35.8	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-41.7	177.8	-175.1	0	0	0	0	111.7	Y569 M570 G571 R577	Y569-S573 WeakPolarHBondContact O-CB 3.48Å; Y569-S573 PolarHBondContact O-N 3.26Å; M570-S573 PolarHBondContact O-N 3.42Å; G571-S573 PolarHBondContact O-N 2.97Å; S573-R577 WeakPolarHBondContact O-CB 3.46Å; S573-R577 VanDerWaalsContact O-CG 3.28Å; S573-R577 WeakPolarHBondContact O-CG 3.5Å; S573-R577 PolarHBondContact O-N 3.36Å
574	A	92.4	Very high	89.4	Confident	63 Å²	63	42.9 Å²	42.9	52%	0.521	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-44	173.2	0	0	0	0	0	111.5	M570 G571 T572 K578	M570-A574 PolarHBondContact O-N 3.12Å; M570-A574 VanDerWaalsContact O-N 3.13Å; G571-A574 PolarHBondContact O-N 3.09Å; T572-A574 VanDerWaalsContact C-N 3.35Å; T572-A574 PolarHBondContact O-N 3.47Å; A574-K578 WeakPolarHBondContact O-CB 3.12Å; A574-K578 PolarHBondContact O-N 3.41Å
575	F	90.8	Very high	87.4	Confident	23 Å²	23	46.7 Å²	46.7	10%	0.101	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-53.2	175.3	169.4	-105.7	0	0	0	112.6	L241 I497 Y501 G571 T572 R577 K578 I579	L241-F575 HydrophobicContact CD2-CE2 3.59Å; L241-F575 HydrophobicContact CD2-CZ 4.21Å; I497-F575 HydrophobicContact CD1-CB 4.06Å; I497-F575 HydrophobicContact CD1-CG 4.38Å; I497-F575 HydrophobicContact CG1-CB 3.96Å; I497-F575 HydrophobicContact CG1-CD1 4.36Å; I497-F575 HydrophobicContact CG1-CG 4.1Å; I497-F575 HydrophobicContact CG2-CD1 3.88Å; I497-F575 HydrophobicContact CG2-CD2 3.98Å; I497-F575 HydrophobicContact CG2-CE1 3.95Å; I497-F575 HydrophobicContact CG2-CE2 4.06Å; I497-F575 HydrophobicContact CG2-CG 3.89Å; I497-F575 HydrophobicContact CG2-CZ 4.04Å; Y501-F575 HydrophobicContact CD2-CZ 4.35Å; G571-F575 PolarHBondContact O-N 3.27Å; T572-F575 WeakPolarHBondContact O-CB 3.47Å; T572-F575 PolarHBondContact O-N 3.19Å; F575-R577 PolarHBondContact O-N 2.77Å; F575-K578 WeakPolarHBondContact O-CB 3.16Å; F575-K578 PolarHBondContact O-N 3.04Å; F575-I579 HydrophobicContact CD1-CD1 4.48Å; F575-I579 HydrophobicContact CD2-CG2 4.01Å; F575-I579 HydrophobicContact CE1-CD1 3.86Å; F575-I579 HydrophobicContact CE1-CG2 4.36Å; F575-I579 HydrophobicContact CE2-CG2 3.47Å; F575-I579 VanDerWaalsContact CE2-CG2 3.47Å; F575-I579 HydrophobicContact CZ-CD1 4.03Å; F575-I579 HydrophobicContact CZ-CG2 3.68Å; F575-I579 PolarHBondContact O-N 2.87Å
576	V	91.3	Very high	84.7	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.8	-48	179.6	170.6	0	0	0	0	110.2	V278 F279 T500 L504 W511 T572 K578 I579 Y580	V278-V576 HydrophobicContact CG1-CG1 3.36Å; F279-V576 HydrophobicContact CE1-CG1 4.07Å; F279-V576 HydrophobicContact CZ-CG1 4.16Å; T500-V576 HydrophobicContact CG2-CG2 4.1Å; L504-V576 HydrophobicContact CD1-CG2 4.32Å; W511-V576 HydrophobicContact CD2-CG2 4.06Å; W511-V576 HydrophobicContact CE3-CG2 4.16Å; W511-V576 HydrophobicContact CH2-CB 4.37Å; W511-V576 HydrophobicContact CH2-CG2 4.32Å; W511-V576 HydrophobicContact CZ2-CB 4.15Å; W511-V576 HydrophobicContact CZ2-CG1 3.9Å; W511-V576 HydrophobicContact CZ2-CG2 4.21Å; W511-V576 HydrophobicContact CZ3-CG2 4.3Å; T572-V576 HydrophobicContact CG2-CG2 4.09Å; T572-V576 WeakPolarHBondContact O-CB 3.4Å; T572-V576 VanDerWaalsContact O-CG2 3.32Å; T572-V576 WeakPolarHBondContact O-CG2 3.46Å; T572-V576 PolarHBondContact O-N 2.86Å; V576-K578 VanDerWaalsContact C-N 3.28Å; V576-K578 PolarHBondContact O-N 2.9Å; V576-I579 VanDerWaalsContact O-CG1 3.22Å; V576-I579 WeakPolarHBondContact O-CG1 3.36Å; V576-I579 PolarHBondContact O-N 3.45Å; V576-Y580 HydrophobicContact CG1-CD2 3.8Å; V576-Y580 HydrophobicContact CG1-CE2 3.94Å; V576-Y580 VanDerWaalsContact O-CD2 3.22Å; V576-Y580 WeakPolarHBondContact O-CD2 3.38Å; V576-Y580 PolarHBondContact O-N 3.07Å; V576-Y580 VanDerWaalsContact O-N 3.16Å
577	R	89.9	Confident	84.1	Confident	109 Å²	109	59.9 Å²	59.9	41%	0.411	31%	0.313	S	S	.	.	H	α-helix	trans	-58.9	-41.4	176.1	-71.1	177.8	77.9	-152.9	2.4	111.8	F279 N422 P424 S573 F575 T581	F279-R577 HydrophobicContact CE1-CG 3.84Å; F279-R577 HydrophobicContact CZ-CG 4.41Å; N422-R577 PolarHBondContact O-NH2 3.11Å; P424-R577 HydrophobicContact CG-CB 4.45Å; S573-R577 WeakPolarHBondContact O-CB 3.46Å; S573-R577 VanDerWaalsContact O-CG 3.28Å; S573-R577 WeakPolarHBondContact O-CG 3.5Å; S573-R577 PolarHBondContact O-N 3.36Å; F575-R577 PolarHBondContact O-N 2.77Å; R577-T581 WeakPolarHBondContact O-CB 3.33Å; R577-T581 PolarHBondContact O-N 3.36Å; R577-T581 PolarHBondContact O-OG1 3.38Å
578	K	87.8	Confident	83.3	Confident	136 Å²	136	61.7 Å²	61.7	59%	0.591	32%	0.321	S	S	*	.	H	α-helix	trans	-66.1	-44.2	-179	-171.9	60.8	171.5	175.2	0	112.4	A574 F575 V576 N582	A574-K578 WeakPolarHBondContact O-CB 3.12Å; A574-K578 PolarHBondContact O-N 3.41Å; F575-K578 WeakPolarHBondContact O-CB 3.16Å; F575-K578 PolarHBondContact O-N 3.04Å; V576-K578 VanDerWaalsContact C-N 3.28Å; V576-K578 PolarHBondContact O-N 2.9Å; K578-N582 PolarHBondContact O-ND2 2.81Å
579	I	83.9	Confident	82.6	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.108	34%	0.339	C	S	.	.	H	α-helix	trans	-66	-43.8	-179.9	64	177.1	0	0	0	111.4	W271 L504 F575 V576 N582 V583	W271-I579 HydrophobicContact CE3-CD1 3.9Å; W271-I579 HydrophobicContact CE3-CG1 4.47Å; W271-I579 HydrophobicContact CH2-CB 4.12Å; W271-I579 HydrophobicContact CZ3-CB 3.98Å; W271-I579 HydrophobicContact CZ3-CD1 3.86Å; W271-I579 HydrophobicContact CZ3-CG1 3.95Å; L504-I579 HydrophobicContact CD1-CD1 4.37Å; F575-I579 HydrophobicContact CD1-CD1 4.48Å; F575-I579 HydrophobicContact CD2-CG2 4.01Å; F575-I579 HydrophobicContact CE1-CD1 3.86Å; F575-I579 HydrophobicContact CE1-CG2 4.36Å; F575-I579 HydrophobicContact CE2-CG2 3.47Å; F575-I579 VanDerWaalsContact CE2-CG2 3.47Å; F575-I579 HydrophobicContact CZ-CD1 4.03Å; F575-I579 HydrophobicContact CZ-CG2 3.68Å; F575-I579 PolarHBondContact O-N 2.87Å; V576-I579 VanDerWaalsContact O-CG1 3.22Å; V576-I579 WeakPolarHBondContact O-CG1 3.36Å; V576-I579 PolarHBondContact O-N 3.45Å; I579-N582 PolarHBondContact O-N 3.26Å; I579-V583 WeakPolarHBondContact O-CG2 3.48Å; I579-V583 PolarHBondContact O-N 2.92Å
580	Y	85.5	Confident	81.7	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-77.9	-19.2	-178.1	-73.8	-77.1	0	0	0	114.4	W271 V274 H275 V278 F279 L504 V576 N582 V583	W271-Y580 AromaticContact CE3-CE1 3.98Å; W271-Y580 HydrophobicContact CE3-CE1 3.98Å; W271-Y580 HydrophobicContact CE3-CE2 4.32Å; W271-Y580 AromaticContact CE3-CZ 3.77Å; W271-Y580 HydrophobicContact CZ3-CD1 4.37Å; W271-Y580 HydrophobicContact CZ3-CE1 4.1Å; W271-Y580 PolarHBondContact O-OH 3.5Å; V274-Y580 WeakPolarHBondContact CG2-OH 3.49Å; H275-Y580 HydrophobicContact CB-CD1 3.78Å; H275-Y580 HydrophobicContact CB-CE1 3.79Å; V278-Y580 HydrophobicContact CB-CE2 4.14Å; V278-Y580 HydrophobicContact CG1-CD2 3.91Å; V278-Y580 HydrophobicContact CG1-CE2 3.59Å; V278-Y580 HydrophobicContact CG2-CE1 4.11Å; V278-Y580 HydrophobicContact CG2-CE2 3.79Å; V278-Y580 VanDerWaalsContact CG2-CZ 3.45Å; V278-Y580 WeakPolarHBondContact CG2-OH 3.25Å; F279-Y580 HydrophobicContact CE2-CD2 4.34Å; F279-Y580 HydrophobicContact CE2-CG 4.14Å; F279-Y580 HydrophobicContact CZ-CD2 4.18Å; F279-Y580 HydrophobicContact CZ-CG 4.31Å; L504-Y580 HydrophobicContact CD1-CE2 4.36Å; V576-Y580 HydrophobicContact CG1-CD2 3.8Å; V576-Y580 HydrophobicContact CG1-CE2 3.94Å; V576-Y580 VanDerWaalsContact O-CD2 3.22Å; V576-Y580 WeakPolarHBondContact O-CD2 3.38Å; V576-Y580 PolarHBondContact O-N 3.07Å; V576-Y580 VanDerWaalsContact O-N 3.16Å; Y580-N582 PolarHBondContact O-N 3.35Å; Y580-V583 HydrophobicContact CD1-CG2 4.26Å
581	T	82.9	Confident	80.8	Confident	90 Å²	90	67.6 Å²	67.6	55%	0.552	35%	0.354	S	S	*	.	H	α-helix	trans	-69.3	-27.6	169.7	-54.6	0	0	0	0	111.6	P424 R577	P424-T581 WeakPolarHBondContact CG-OG1 3.49Å; R577-T581 WeakPolarHBondContact O-CB 3.33Å; R577-T581 PolarHBondContact O-N 3.36Å; R577-T581 PolarHBondContact O-OG1 3.38Å
582	N	72.7	Confident	79.8	Confident	108 Å²	108	71 Å²	71	58%	0.578	37%	0.366	S	S	*	.	S	Bend	trans	-94	-3	-178.5	-65.8	-31.5	0	0	0	113.1	K578 I579 Y580 K584	K578-N582 PolarHBondContact O-ND2 2.81Å; I579-N582 PolarHBondContact O-N 3.26Å; Y580-N582 PolarHBondContact O-N 3.35Å; N582-K584 PolarHBondContact O-N 2.97Å
583	V	70.6	Confident	78.7	Confident	22 Å²	22	76.1 Å²	76.1	13%	0.133	39%	0.392	C	S	.	.			trans	-76.1	116.9	174.2	-179.4	0	0	0	0	107.2	W271 I579 Y580 I585	W271-V583 HydrophobicContact CH2-CG2 3.75Å; W271-V583 HydrophobicContact CZ3-CG2 3.73Å; I579-V583 WeakPolarHBondContact O-CG2 3.48Å; I579-V583 PolarHBondContact O-N 2.92Å; Y580-V583 HydrophobicContact CD1-CG2 4.26Å; V583-I585 HydrophobicContact CB-CG1 4.39Å; V583-I585 HydrophobicContact CG1-CD1 4.39Å; V583-I585 HydrophobicContact CG1-CG1 3.73Å; V583-I585 PolarHBondContact O-N 3.02Å
584	K	61	Low	77.5	Confident	162 Å²	162	79.8 Å²	79.8	70%	0.704	41%	0.407	S	S	*	.			trans	-70.4	113.9	166.1	-67.2	-177.1	179.9	-178.9	0	107.1	N582	N582-K584 PolarHBondContact O-N 2.97Å
585	I	56.8	Low	76.3	Confident	83 Å²	83	81.2 Å²	81.2	43%	0.426	40%	0.398	S	S	.	.			trans	-113.6	100.6	171.9	-54.7	164.5	0	0	0	103	H275 C425 V583	H275-I585 HydrophobicContact CB-CD1 4.03Å; H275-I585 VanDerWaalsContact CD2-CD1 3.4Å; H275-I585 WeakPolarHBondContact CD2-CD1 3.36Å; C425-I585 HydrophobicContact CB-CD1 4.32Å; V583-I585 HydrophobicContact CB-CG1 4.39Å; V583-I585 HydrophobicContact CG1-CD1 4.39Å; V583-I585 HydrophobicContact CG1-CG1 3.73Å; V583-I585 PolarHBondContact O-N 3.02Å
586	D	42	Very low	74.9	Confident	217 Å²	217	86.5 Å²	86.5	100%	1.16	43%	0.425	S	S	*	.			trans	-73.3	0	177	-72.6	-28.6	0	0	0	111

Retrieved 586 of 586 residues in 473.9 ms (Link to these results)

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