A0A5K4F6X9_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F6X9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.3	Low	78.9	Confident	212 Å²	212	113.9 Å²	113.9	100%	1.044	61%	0.606	S	S	*	*				0	-23.1	0	-83.9	175.4	72.4	0	0	114.4	C3 L4	M1-C3 PolarHBondContact O-N 3.36Å; M1-L4 PolarHBondContact O-N 3.49Å
2	V	71.1	Confident	79.1	Confident	104 Å²	104	113.3 Å²	113.3	63%	0.63	60%	0.602	S	S	*	*	H	α-helix	trans	-61.5	-40.6	-179.6	-178.3	0	0	0	0	113	L4 V5 W6	V2-L4 VanDerWaalsContact C-N 3.32Å; V2-L4 PolarHBondContact O-N 3.43Å; V2-V5 PolarHBondContact O-N 3.26Å; V2-W6 PolarHBondContact O-N 3.27Å
3	C	77.4	Confident	79.2	Confident	99 Å²	99	113 Å²	113	67%	0.669	60%	0.6	S	S	*	*	H	α-helix	trans	-61.9	-33.4	-177.2	-59.7	0	0	0	0	114.6	M1 W6 F7	M1-C3 PolarHBondContact O-N 3.36Å; C3-W6 PolarHBondContact O-N 3.16Å; C3-F7 PolarHBondContact O-N 3.46Å; C3-F7 VanDerWaalsContact O-N 3.16Å
4	L	78.6	Confident	79.1	Confident	115 Å²	115	113.4 Å²	113.4	60%	0.602	60%	0.601	S	S	*	*	H	α-helix	trans	-67.3	-39.5	179.8	-106.4	139.9	0	0	0	111.7	M1 V2 F7 H8	M1-L4 PolarHBondContact O-N 3.49Å; V2-L4 VanDerWaalsContact C-N 3.32Å; V2-L4 PolarHBondContact O-N 3.43Å; L4-F7 PolarHBondContact O-N 3.42Å; L4-H8 PolarHBondContact O-CD2 3.28Å; L4-H8 PolarHBondContact O-N 2.99Å
5	V	80.4	Confident	78.7	Confident	92 Å²	92	113.2 Å²	113.2	56%	0.558	60%	0.6	S	S	*	*	H	α-helix	trans	-65.1	-42.8	177.9	-178.8	0	0	0	0	110.8	V2 F7 H8 V9	V2-V5 PolarHBondContact O-N 3.26Å; V5-F7 PolarHBondContact O-N 2.93Å; V5-H8 PolarHBondContact O-N 3.07Å; V5-V9 HydrophobicContact CG1-CG2 4.43Å; V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.18Å
6	W	80	Confident	78.1	Confident	187 Å²	187	113.2 Å²	113.2	71%	0.708	60%	0.599	S	S	*	*	H	α-helix	trans	-64.3	-38.7	178.4	-81.4	88	0	0	0	113	V2 C3 V9 A10	V2-W6 PolarHBondContact O-N 3.27Å; C3-W6 PolarHBondContact O-N 3.16Å; W6-V9 PolarHBondContact O-N 3.47Å; W6-A10 WeakPolarHBondContact O-CB 3.37Å; W6-A10 PolarHBondContact O-N 3.42Å
7	F	83.1	Confident	77.3	Confident	164 Å²	164	114 Å²	114	72%	0.719	60%	0.599	S	S	*	*	H	α-helix	trans	-62.2	-43.4	174.3	-102.1	-79.5	0	0	0	112.2	C3 L4 V5 A10 A11	C3-F7 PolarHBondContact O-N 3.46Å; C3-F7 VanDerWaalsContact O-N 3.16Å; L4-F7 PolarHBondContact O-N 3.42Å; V5-F7 PolarHBondContact O-N 2.93Å; F7-A10 PolarHBondContact O-N 3.46Å; F7-A11 WeakPolarHBondContact O-CB 3.35Å; F7-A11 PolarHBondContact O-N 2.92Å
8	H	80	Confident	76.5	Confident	117 Å²	117	111.9 Å²	111.9	54%	0.542	59%	0.592	S	S	.	*	H	α-helix	trans	-66.1	-40.6	177.4	-71.5	-56.8	0	0	0	112.6	L4 V5 A11 L12	L4-H8 PolarHBondContact O-CD2 3.28Å; L4-H8 PolarHBondContact O-N 2.99Å; V5-H8 PolarHBondContact O-N 3.07Å; H8-A11 PolarHBondContact O-N 3.37Å; H8-L12 WeakPolarHBondContact O-CB 3.47Å; H8-L12 WeakPolarHBondContact O-CG 3.38Å; H8-L12 PolarHBondContact O-N 2.85Å
9	V	83.4	Confident	75.4	Confident	70 Å²	70	110.2 Å²	110.2	42%	0.424	59%	0.589	S	S	.	*	H	α-helix	trans	-64.7	-44	176.3	173.7	0	0	0	0	111.1	V5 W6 L12 L13	V5-V9 HydrophobicContact CG1-CG2 4.43Å; V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.18Å; W6-V9 PolarHBondContact O-N 3.47Å; V9-L12 PolarHBondContact O-N 3.45Å; V9-L13 HydrophobicContact CG1-CD1 3.92Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 WeakPolarHBondContact O-CG 3.29Å; V9-L13 PolarHBondContact O-N 2.95Å
10	A	85.1	Confident	74.2	Confident	47 Å²	47	108.5 Å²	108.5	39%	0.388	58%	0.583	S	S	.	*	H	α-helix	trans	-63.7	-42.2	177.2	0	0	0	0	0	112.2	W6 F7 L13 L14	W6-A10 WeakPolarHBondContact O-CB 3.37Å; W6-A10 PolarHBondContact O-N 3.42Å; F7-A10 PolarHBondContact O-N 3.46Å; A10-L13 PolarHBondContact O-N 3.22Å; A10-L14 WeakPolarHBondContact O-CB 3.43Å; A10-L14 WeakPolarHBondContact O-CG 3.42Å; A10-L14 PolarHBondContact O-N 3.48Å
11	A	84.1	Confident	73.3	Confident	46 Å²	46	107.9 Å²	107.9	38%	0.38	58%	0.577	S	S	.	*	H	α-helix	trans	-64	-41.6	176.2	0	0	0	0	0	112.3	F7 H8 L14 L15	F7-A11 WeakPolarHBondContact O-CB 3.35Å; F7-A11 PolarHBondContact O-N 2.92Å; H8-A11 PolarHBondContact O-N 3.37Å; A11-L14 PolarHBondContact O-N 2.92Å; A11-L15 WeakPolarHBondContact O-CB 3.34Å; A11-L15 VanDerWaalsContact O-CG 3.29Å; A11-L15 WeakPolarHBondContact O-CG 3.45Å; A11-L15 PolarHBondContact O-N 2.95Å
12	L	82.1	Confident	73	Confident	106 Å²	106	101.7 Å²	101.7	56%	0.555	55%	0.551	S	S	*	*	H	α-helix	trans	-66	-41.1	176	-76.7	166.4	0	0	0	112.2	H8 V9 L15 L16	H8-L12 WeakPolarHBondContact O-CB 3.47Å; H8-L12 WeakPolarHBondContact O-CG 3.38Å; H8-L12 PolarHBondContact O-N 2.85Å; V9-L12 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3.02Å; L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.46Å
13	L	79.4	Confident	71.9	Confident	110 Å²	110	103.9 Å²	103.9	58%	0.576	55%	0.549	S	S	*	.	H	α-helix	trans	-64.4	-41.6	175.5	-75.2	170	0	0	0	111.6	V9 A10 L16 H17	V9-L13 HydrophobicContact CG1-CD1 3.92Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 WeakPolarHBondContact O-CG 3.29Å; V9-L13 PolarHBondContact O-N 2.95Å; A10-L13 PolarHBondContact O-N 3.22Å; L13-L16 PolarHBondContact O-N 3.06Å; L13-H17 VanDerWaalsContact O-CB 3.31Å; L13-H17 WeakPolarHBondContact O-CB 3.46Å; L13-H17 PolarHBondContact O-N 3.45Å
14	L	77.8	Confident	71.1	Confident	118 Å²	118	102.4 Å²	102.4	62%	0.618	54%	0.537	S	S	*	.	H	α-helix	trans	-61.1	-47.4	173.5	-83.3	159.8	0	0	0	111.2	A10 A11 L16 H17 T18	A10-L14 WeakPolarHBondContact O-CB 3.43Å; A10-L14 WeakPolarHBondContact O-CG 3.42Å; A10-L14 PolarHBondContact O-N 3.48Å; A11-L14 PolarHBondContact O-N 2.92Å; L14-L16 PolarHBondContact O-N 3.37Å; L14-H17 PolarHBondContact O-N 3.44Å; L14-T18 WeakPolarHBondContact O-CG2 3.33Å; L14-T18 PolarHBondContact O-N 2.93Å; L14-T18 PolarHBondContact O-OG1 3.41Å; L14-T18 VanDerWaalsContact O-OG1 3.06Å
15	L	73.1	Confident	70.8	Confident	111 Å²	111	99.9 Å²	99.9	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-62.8	-41.6	178.5	-75.8	167.6	0	0	0	112.7	A11 L12 H17 T18 S19	A11-L15 WeakPolarHBondContact O-CB 3.34Å; A11-L15 VanDerWaalsContact O-CG 3.29Å; A11-L15 WeakPolarHBondContact O-CG 3.45Å; A11-L15 PolarHBondContact O-N 2.95Å; L12-L15 PolarHBondContact O-N 3.02Å; L15-H17 VanDerWaalsContact C-N 3.35Å; L15-T18 WeakPolarHBondContact CA-OG1 3.39Å; L15-T18 PolarHBondContact O-OG1 2.92Å; L15-S19 WeakPolarHBondContact O-CB 3.15Å; L15-S19 PolarHBondContact O-N 3.48Å
16	L	70.3	Confident	70.5	Confident	113 Å²	113	99.8 Å²	99.8	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-62.9	-44.6	174.6	-77.1	167.3	0	0	0	110.5	L12 L13 L14 S19 T20	L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.46Å; L13-L16 PolarHBondContact O-N 3.06Å; L14-L16 PolarHBondContact O-N 3.37Å; L16-S19 PolarHBondContact O-N 3.42Å; L16-T20 WeakPolarHBondContact O-CG2 3.49Å; L16-T20 PolarHBondContact O-N 3.42Å; L16-T20 PolarHBondContact O-OG1 2.81Å
17	H	63.7	Low	70.6	Confident	127 Å²	127	93.5 Å²	93.5	59%	0.588	50%	0.5	S	S	*	.	H	α-helix	trans	-67.3	-42.6	-178.4	-159.1	5.9	0	0	0	112.2	L13 L14 L15 T20 Q21	L13-H17 VanDerWaalsContact O-CB 3.31Å; L13-H17 WeakPolarHBondContact O-CB 3.46Å; L13-H17 PolarHBondContact O-N 3.45Å; L14-H17 PolarHBondContact O-N 3.44Å; L15-H17 VanDerWaalsContact C-N 3.35Å; H17-T20 WeakPolarHBondContact CA-OG1 3.42Å; H17-T20 PolarHBondContact O-N 3.01Å; H17-T20 PolarHBondContact O-OG1 2.91Å; H17-Q21 WeakPolarHBondContact O-CB 3.32Å; H17-Q21 PolarHBondContact O-N 3.04Å
18	T	63.4	Low	70.7	Confident	77 Å²	77	89.2 Å²	89.2	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-41.4	174.6	53.6	0	0	0	0	111.5	L14 L15 T20 Q21 T22	L14-T18 WeakPolarHBondContact O-CG2 3.33Å; L14-T18 PolarHBondContact O-N 2.93Å; L14-T18 PolarHBondContact O-OG1 3.41Å; L14-T18 VanDerWaalsContact O-OG1 3.06Å; L15-T18 WeakPolarHBondContact CA-OG1 3.39Å; L15-T18 PolarHBondContact O-OG1 2.92Å; T18-T20 PolarHBondContact O-N 2.94Å; T18-Q21 PolarHBondContact O-N 3.36Å; T18-T22 PolarHBondContact O-N 3.47Å; T18-T22 PolarHBondContact O-OG1 2.87Å
19	S	55.9	Low	71.1	Confident	78 Å²	78	85.5 Å²	85.5	55%	0.545	47%	0.466	S	S	.	.	H	α-helix	trans	-61.6	-44.2	177.6	-177.4	0	0	0	0	111.7	L15 L16 Y23	L15-S19 WeakPolarHBondContact O-CB 3.15Å; L15-S19 PolarHBondContact O-N 3.48Å; L16-S19 PolarHBondContact O-N 3.42Å; S19-Y23 WeakPolarHBondContact O-CB 3.49Å; S19-Y23 PolarHBondContact O-N 3.29Å; S19-Y23 VanDerWaalsContact O-N 3.12Å
20	T	50.3	Low	71.5	Confident	77 Å²	77	88 Å²	88	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-66.3	-37.8	176.7	48.6	0	0	0	0	112.8	L16 H17 T18 Y23 V24	L16-T20 WeakPolarHBondContact O-CG2 3.49Å; L16-T20 PolarHBondContact O-N 3.42Å; L16-T20 PolarHBondContact O-OG1 2.81Å; H17-T20 WeakPolarHBondContact CA-OG1 3.42Å; H17-T20 PolarHBondContact O-N 3.01Å; H17-T20 PolarHBondContact O-OG1 2.91Å; T18-T20 PolarHBondContact O-N 2.94Å; T20-Y23 PolarHBondContact O-N 3.04Å; T20-V24 WeakPolarHBondContact O-CG2 3.39Å; T20-V24 PolarHBondContact O-N 3.44Å; T20-V24 VanDerWaalsContact O-N 3.1Å
21	Q	55.5	Low	71.8	Confident	96 Å²	96	90.4 Å²	90.4	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-65.6	-49.8	179.2	-170.1	64.4	39.7	0	0	110.5	H17 T18 Y23 V24 D25	H17-Q21 WeakPolarHBondContact O-CB 3.32Å; H17-Q21 PolarHBondContact O-N 3.04Å; T18-Q21 PolarHBondContact O-N 3.36Å; Q21-Y23 VanDerWaalsContact C-N 3.26Å; Q21-Y23 PolarHBondContact O-N 3.24Å; Q21-V24 PolarHBondContact O-N 3.37Å; Q21-V24 VanDerWaalsContact O-N 3.16Å; Q21-D25 PolarHBondContact NE2-OD1 3.01Å; Q21-D25 PolarHBondContact O-N 3.4Å
22	T	57.7	Low	72.3	Confident	82 Å²	82	88.2 Å²	88.2	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-59	-36.5	177.8	-54.8	0	0	0	0	112.6	T18 L26	T18-T22 PolarHBondContact O-N 3.47Å; T18-T22 PolarHBondContact O-OG1 2.87Å; T22-L26 HydrophobicContact CG2-CD1 4.17Å; T22-L26 WeakPolarHBondContact O-CB 3.3Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.14Å; T22-L26 PolarHBondContact O-N 3.22Å; T22-L26 VanDerWaalsContact O-N 3.12Å
23	Y	48	Very low	73	Confident	150 Å²	150	88 Å²	88	59%	0.588	46%	0.458	S	S	*	.	H	α-helix	trans	-68.8	-41.2	177.3	-178	-103.4	0	0	0	113	S19 T20 Q21 N27	S19-Y23 WeakPolarHBondContact O-CB 3.49Å; S19-Y23 PolarHBondContact O-N 3.29Å; S19-Y23 VanDerWaalsContact O-N 3.12Å; T20-Y23 PolarHBondContact O-N 3.04Å; Q21-Y23 VanDerWaalsContact C-N 3.26Å; Q21-Y23 PolarHBondContact O-N 3.24Å; Y23-N27 WeakPolarHBondContact CE1-ND2 3.49Å; Y23-N27 VanDerWaalsContact CZ-ND2 3.3Å; Y23-N27 PolarHBondContact O-N 3.08Å; Y23-N27 PolarHBondContact OH-ND2 3.01Å
24	V	61.8	Low	73.8	Confident	68 Å²	68	85.7 Å²	85.7	41%	0.412	45%	0.454	S	S	.	.	H	α-helix	trans	-63.7	-46.4	176.2	171.3	0	0	0	0	110.3	T20 Q21 L26 N27 E28	T20-V24 WeakPolarHBondContact O-CG2 3.39Å; T20-V24 PolarHBondContact O-N 3.44Å; T20-V24 VanDerWaalsContact O-N 3.1Å; Q21-V24 PolarHBondContact O-N 3.37Å; Q21-V24 VanDerWaalsContact O-N 3.16Å; V24-L26 VanDerWaalsContact C-N 3.32Å; V24-L26 PolarHBondContact O-N 3.5Å; V24-N27 PolarHBondContact O-N 2.99Å; V24-E28 PolarHBondContact O-N 3.39Å; V24-E28 VanDerWaalsContact O-N 3.12Å
25	D	71	Confident	74.7	Confident	61 Å²	61	82.2 Å²	82.2	33%	0.326	44%	0.435	S	S	.	.	H	α-helix	trans	-63	-37.5	-178.4	-57.4	-20.7	0	0	0	111.8	Q21 E28 L29	Q21-D25 PolarHBondContact NE2-OD1 3.01Å; Q21-D25 PolarHBondContact O-N 3.4Å; D25-E28 PolarHBondContact O-N 3.14Å; D25-L29 WeakPolarHBondContact O-CG 3.44Å; D25-L29 PolarHBondContact O-N 3.1Å; D25-L29 VanDerWaalsContact O-N 3.15Å
26	L	75	Confident	75.9	Confident	90 Å²	90	77.7 Å²	77.7	47%	0.471	41%	0.411	S	S	.	.	H	α-helix	trans	-65.7	-44.1	177	-79.2	167.7	0	0	0	112.9	T22 V24 E28 L29 E30	T22-L26 HydrophobicContact CG2-CD1 4.17Å; T22-L26 WeakPolarHBondContact O-CB 3.3Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.14Å; T22-L26 PolarHBondContact O-N 3.22Å; T22-L26 VanDerWaalsContact O-N 3.12Å; V24-L26 VanDerWaalsContact C-N 3.32Å; V24-L26 PolarHBondContact O-N 3.5Å; L26-E28 VanDerWaalsContact C-N 3.3Å; L26-E28 PolarHBondContact O-N 2.63Å; L26-L29 PolarHBondContact O-N 3Å; L26-E30 PolarHBondContact O-N 3.25Å; L26-E30 VanDerWaalsContact O-N 3.08Å
27	N	81.3	Confident	77.2	Confident	56 Å²	56	75.6 Å²	75.6	30%	0.299	41%	0.406	S	S	.	.	H	α-helix	trans	-64.9	-37.2	178.2	-71.2	-12.2	0	0	0	111.4	Y23 V24 L29 E30 D31	Y23-N27 WeakPolarHBondContact CE1-ND2 3.49Å; Y23-N27 VanDerWaalsContact CZ-ND2 3.3Å; Y23-N27 PolarHBondContact O-N 3.08Å; Y23-N27 PolarHBondContact OH-ND2 3.01Å; V24-N27 PolarHBondContact O-N 2.99Å; N27-L29 VanDerWaalsContact C-N 3.33Å; N27-L29 PolarHBondContact O-N 3.16Å; N27-E30 PolarHBondContact O-N 3.44Å; N27-D31 PolarHBondContact O-N 3.09Å
28	E	85.7	Confident	78.8	Confident	73 Å²	73	75.5 Å²	75.5	34%	0.341	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-37.9	176.1	-72	-175.2	177.2	0	0	112.2	V24 D25 L26 I32 M187	V24-E28 PolarHBondContact O-N 3.39Å; V24-E28 VanDerWaalsContact O-N 3.12Å; D25-E28 PolarHBondContact O-N 3.14Å; L26-E28 VanDerWaalsContact C-N 3.3Å; L26-E28 PolarHBondContact O-N 2.63Å; E28-I32 WeakPolarHBondContact O-CD1 3.34Å; E28-I32 VanDerWaalsContact O-CG1 3.24Å; E28-I32 WeakPolarHBondContact O-CG1 3.42Å; E28-I32 PolarHBondContact O-N 2.96Å; E28-I32 VanDerWaalsContact O-N 3.09Å; E28-M187 HydrophobicContact CB-CE 4.06Å
29	L	88.9	Confident	80.5	Confident	39 Å²	39	71.9 Å²	71.9	20%	0.204	38%	0.379	C	S	.	.	H	α-helix	trans	-65.6	-45.9	175.6	-70.5	169.4	0	0	0	111.8	D25 L26 N27 D31 I32 E33 L184 M187	D25-L29 WeakPolarHBondContact O-CG 3.44Å; D25-L29 PolarHBondContact O-N 3.1Å; D25-L29 VanDerWaalsContact O-N 3.15Å; L26-L29 PolarHBondContact O-N 3Å; N27-L29 VanDerWaalsContact C-N 3.33Å; N27-L29 PolarHBondContact O-N 3.16Å; L29-D31 VanDerWaalsContact C-N 3.31Å; L29-D31 PolarHBondContact O-N 3.12Å; L29-I32 PolarHBondContact O-N 3.22Å; L29-E33 WeakPolarHBondContact O-CG 3.49Å; L29-E33 PolarHBondContact O-N 3.1Å; L29-L184 HydrophobicContact CD2-CD1 3.56Å; L29-M187 HydrophobicContact CD2-CB 3.9Å; L29-M187 HydrophobicContact CD2-CE 4.29Å; L29-M187 HydrophobicContact CD2-SD 4.38Å
30	E	90.5	Very high	82.5	Confident	122 Å²	122	73.2 Å²	73.2	57%	0.57	38%	0.377	S	S	*	.	H	α-helix	trans	-60.6	-40.9	177.2	-71.7	-178.7	-177.3	0	0	111.7	L26 N27 E33 A34	L26-E30 PolarHBondContact O-N 3.25Å; L26-E30 VanDerWaalsContact O-N 3.08Å; N27-E30 PolarHBondContact O-N 3.44Å; E30-E33 PolarHBondContact O-N 2.98Å; E30-A34 WeakPolarHBondContact O-CB 3.41Å; E30-A34 PolarHBondContact O-N 3.45Å
31	D	92.1	Very high	84.8	Confident	98 Å²	98	75.7 Å²	75.7	52%	0.524	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-41.1	176.1	-79.2	-12.5	0	0	0	111.8	N27 L29 A34 E35	N27-D31 PolarHBondContact O-N 3.09Å; L29-D31 VanDerWaalsContact C-N 3.31Å; L29-D31 PolarHBondContact O-N 3.12Å; D31-A34 PolarHBondContact O-N 3.31Å; D31-E35 WeakPolarHBondContact O-CB 3.37Å; D31-E35 PolarHBondContact O-N 2.94Å
32	I	94.3	Very high	86.8	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-66.3	-45.6	177.1	-69.7	161.1	0	0	0	110.7	E28 L29 A34 E35 I36 Y109 L180 L183 L184 M187	E28-I32 WeakPolarHBondContact O-CD1 3.34Å; E28-I32 VanDerWaalsContact O-CG1 3.24Å; E28-I32 WeakPolarHBondContact O-CG1 3.42Å; E28-I32 PolarHBondContact O-N 2.96Å; E28-I32 VanDerWaalsContact O-N 3.09Å; L29-I32 PolarHBondContact O-N 3.22Å; I32-A34 VanDerWaalsContact C-N 3.29Å; I32-A34 PolarHBondContact O-N 3.42Å; I32-E35 PolarHBondContact O-N 3.23Å; I32-I36 HydrophobicContact CG2-CD1 3.82Å; I32-I36 HydrophobicContact CG2-CG1 4.38Å; I32-I36 VanDerWaalsContact O-CG1 3.3Å; I32-I36 WeakPolarHBondContact O-CG1 3.16Å; I32-I36 PolarHBondContact O-N 2.94Å; I32-Y109 HydrophobicContact CD1-CE1 4.05Å; I32-Y109 HydrophobicContact CG1-CE1 4.49Å; I32-Y109 WeakPolarHBondContact CG1-OH 3.39Å; I32-L180 HydrophobicContact CG2-CB 4.29Å; I32-L180 HydrophobicContact CG2-CD2 4.49Å; I32-L183 HydrophobicContact CD1-CD2 3.6Å; I32-L183 HydrophobicContact CD1-CG 3.86Å; I32-L183 HydrophobicContact CG1-CD2 4.04Å; I32-L184 HydrophobicContact CG2-CB 3.92Å; I32-L184 HydrophobicContact CG2-CD1 4.26Å; I32-M187 HydrophobicContact CD1-CE 4.36Å; I32-M187 HydrophobicContact CD1-SD 3.42Å; I32-M187 WeakPolarHBondContact CD1-SD 3.21Å
33	E	96.1	Very high	88.8	Confident	103 Å²	103	71.2 Å²	71.2	48%	0.481	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-39	177.5	-74	-177.8	165.2	0	0	112	L29 E30 S37 L184	L29-E33 WeakPolarHBondContact O-CG 3.49Å; L29-E33 PolarHBondContact O-N 3.1Å; E30-E33 PolarHBondContact O-N 2.98Å; E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 3.46Å; E33-S37 PolarHBondContact O-OG 2.84Å; E33-L184 HydrophobicContact CG-CD1 4.08Å; E33-L184 HydrophobicContact CG-CD2 3.88Å
34	A	96.8	Very high	91.2	Very high	60 Å²	60	65.8 Å²	65.8	50%	0.496	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-43.3	175.4	0	0	0	0	0	112	E30 D31 I32 S37 Y38	E30-A34 WeakPolarHBondContact O-CB 3.41Å; E30-A34 PolarHBondContact O-N 3.45Å; D31-A34 PolarHBondContact O-N 3.31Å; I32-A34 VanDerWaalsContact C-N 3.29Å; I32-A34 PolarHBondContact O-N 3.42Å; A34-S37 PolarHBondContact O-N 3.09Å; A34-Y38 WeakPolarHBondContact O-CB 3.24Å; A34-Y38 PolarHBondContact O-N 2.78Å
35	E	96.7	Very high	92.9	Very high	46 Å²	46	65.1 Å²	65.1	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-37.7	178.8	-161.1	176.7	167.1	0	0	111.5	D31 I32 Y38 S39 Y105 K108 L180	D31-E35 WeakPolarHBondContact O-CB 3.37Å; D31-E35 PolarHBondContact O-N 2.94Å; I32-E35 PolarHBondContact O-N 3.23Å; E35-Y38 PolarHBondContact O-N 2.86Å; E35-S39 PolarHBondContact O-N 2.91Å; E35-Y105 PolarHBondContact OE1-OH 3.36Å; E35-K108 IonicContact OE2-NZ 2.67Å; E35-K108 PolarHBondContact OE2-NZ 3.28Å; E35-L180 HydrophobicContact CB-CD1 3.7Å; E35-L180 HydrophobicContact CG-CD1 3.48Å; E35-L180 VanDerWaalsContact CG-CD1 3.48Å
36	I	97.9	Very high	94.2	Very high	15 Å²	15	62.7 Å²	62.7	8%	0.077	33%	0.33	C	S	.	.	H	α-helix	trans	-59.4	-51.3	170.4	-70.7	167.1	0	0	0	110.7	I32 Y38 S39 E40 L180 L184	I32-I36 HydrophobicContact CG2-CD1 3.82Å; I32-I36 HydrophobicContact CG2-CG1 4.38Å; I32-I36 VanDerWaalsContact O-CG1 3.3Å; I32-I36 WeakPolarHBondContact O-CG1 3.16Å; I32-I36 PolarHBondContact O-N 2.94Å; I36-Y38 VanDerWaalsContact C-N 3.25Å; I36-Y38 PolarHBondContact O-N 3.46Å; I36-S39 PolarHBondContact O-N 3.12Å; I36-S39 VanDerWaalsContact O-N 3.14Å; I36-E40 HydrophobicContact CG2-CG 4.5Å; I36-E40 WeakPolarHBondContact O-CG 3.26Å; I36-E40 PolarHBondContact O-N 3.15Å; I36-L180 HydrophobicContact CD1-CB 4.01Å; I36-L180 HydrophobicContact CG1-CB 3.45Å; I36-L180 VanDerWaalsContact CG1-CB 3.45Å; I36-L180 HydrophobicContact CG1-CD1 4.28Å; I36-L184 HydrophobicContact CD1-CB 4.19Å; I36-L184 HydrophobicContact CD1-CD2 3.85Å
37	S	98.3	Very high	95.3	Very high	70 Å²	70	60.9 Å²	60.9	49%	0.49	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-39.6	-179	-59.3	0	0	0	0	111.5	E33 A34 E40 E41	E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 3.46Å; E33-S37 PolarHBondContact O-OG 2.84Å; A34-S37 PolarHBondContact O-N 3.09Å; S37-E40 PolarHBondContact O-N 3.11Å; S37-E41 PolarHBondContact O-N 3.12Å; S37-E41 VanDerWaalsContact O-N 3.16Å
38	Y	98	Very high	96.2	Very high	125 Å²	125	65 Å²	65	49%	0.49	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-48.1	174.8	176.7	-101.5	0	0	0	112	A34 E35 I36 E40 E41 Q42	A34-Y38 WeakPolarHBondContact O-CB 3.24Å; A34-Y38 PolarHBondContact O-N 2.78Å; E35-Y38 PolarHBondContact O-N 2.86Å; I36-Y38 VanDerWaalsContact C-N 3.25Å; I36-Y38 PolarHBondContact O-N 3.46Å; Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-E40 PolarHBondContact O-N 3.48Å; Y38-E41 WeakPolarHBondContact O-CB 3.41Å; Y38-E41 PolarHBondContact O-N 2.83Å; Y38-Q42 HydrophobicContact CD1-CG 4.19Å; Y38-Q42 HydrophobicContact CE1-CG 3.7Å; Y38-Q42 HydrophobicContact CE2-CG 4.17Å; Y38-Q42 WeakPolarHBondContact O-CG 3.38Å; Y38-Q42 PolarHBondContact O-N 3.29Å
39	S	97.8	Very high	96.8	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-36.2	177.5	-73.8	0	0	0	0	112.4	E35 I36 E41 Q42 L43 E173 I176	E35-S39 PolarHBondContact O-N 2.91Å; I36-S39 PolarHBondContact O-N 3.12Å; I36-S39 VanDerWaalsContact O-N 3.14Å; S39-E41 VanDerWaalsContact C-N 3.35Å; S39-E41 PolarHBondContact O-N 3.41Å; S39-Q42 PolarHBondContact O-N 3.15Å; S39-L43 VanDerWaalsContact O-CG 3.25Å; S39-L43 WeakPolarHBondContact O-CG 3.39Å; S39-L43 PolarHBondContact O-N 3.06Å; S39-E173 WeakPolarHBondContact CB-OE2 3.45Å; S39-E173 PolarHBondContact OG-OE2 3.47Å; S39-I176 WeakPolarHBondContact OG-CG2 3.29Å
40	E	98.1	Very high	97.2	Very high	105 Å²	105	65.4 Å²	65.4	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-43.4	173.1	-71.3	-174.4	170.7	0	0	112.4	I36 S37 Y38 L43 G44 H177	I36-E40 HydrophobicContact CG2-CG 4.5Å; I36-E40 WeakPolarHBondContact O-CG 3.26Å; I36-E40 PolarHBondContact O-N 3.15Å; S37-E40 PolarHBondContact O-N 3.11Å; Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-E40 PolarHBondContact O-N 3.48Å; E40-L43 PolarHBondContact O-N 3.43Å; E40-G44 PolarHBondContact O-N 2.67Å; E40-G44 VanDerWaalsContact O-N 3.17Å; E40-H177 WeakPolarHBondContact CG-CD2 3.35Å; E40-H177 WeakPolarHBondContact CG-NE2 3.33Å; E40-H177 IonicContact OE1-CD2 2.82Å; E40-H177 IonicContact OE1-CE1 2.66Å; E40-H177 IonicContact OE1-NE2 3.73Å; E40-H177 PolarHBondContact OE1-NE2 3Å
41	E	98.5	Very high	97.6	Very high	129 Å²	129	63.8 Å²	63.8	60%	0.603	34%	0.337	S	S	*	.	H	α-helix	trans	-62.1	-45.8	175.2	-173.6	-177.7	175.3	0	0	111.2	S37 Y38 S39 L43 G44 V45	S37-E41 PolarHBondContact O-N 3.12Å; S37-E41 VanDerWaalsContact O-N 3.16Å; Y38-E41 WeakPolarHBondContact O-CB 3.41Å; Y38-E41 PolarHBondContact O-N 2.83Å; S39-E41 VanDerWaalsContact C-N 3.35Å; S39-E41 PolarHBondContact O-N 3.41Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.36Å; E41-G44 PolarHBondContact O-N 3.3Å; E41-V45 PolarHBondContact O-N 3.26Å
42	Q	98.3	Very high	97.9	Very high	47 Å²	47	62 Å²	62	22%	0.22	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-40.8	178.3	-66.1	-47.8	-62.2	0	0	112.1	Y38 S39 G44 V45 L46 E173	Y38-Q42 HydrophobicContact CD1-CG 4.19Å; Y38-Q42 HydrophobicContact CE1-CG 3.7Å; Y38-Q42 HydrophobicContact CE2-CG 4.17Å; Y38-Q42 WeakPolarHBondContact O-CG 3.38Å; Y38-Q42 PolarHBondContact O-N 3.29Å; S39-Q42 PolarHBondContact O-N 3.15Å; Q42-G44 VanDerWaalsContact C-N 3.29Å; Q42-G44 PolarHBondContact O-N 3.37Å; Q42-V45 PolarHBondContact O-N 3.02Å; Q42-L46 WeakPolarHBondContact O-CB 3.23Å; Q42-L46 WeakPolarHBondContact O-CD1 3.22Å; Q42-L46 VanDerWaalsContact O-CG 3.24Å; Q42-L46 WeakPolarHBondContact O-CG 3.33Å; Q42-L46 PolarHBondContact O-N 3.07Å; Q42-E173 HydrophobicContact CB-CG 3.89Å
43	L	98.6	Very high	98.1	Very high	38 Å²	38	62.3 Å²	62.3	20%	0.199	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-41.7	175.3	-73.2	171.4	0	0	0	111.7	S39 E40 E41 S47 L170 E173 S174 H177	S39-L43 VanDerWaalsContact O-CG 3.25Å; S39-L43 WeakPolarHBondContact O-CG 3.39Å; S39-L43 PolarHBondContact O-N 3.06Å; E40-L43 PolarHBondContact O-N 3.43Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.36Å; L43-S47 VanDerWaalsContact O-CB 3.27Å; L43-S47 WeakPolarHBondContact O-CB 3.36Å; L43-S47 PolarHBondContact O-N 3.46Å; L43-L170 HydrophobicContact CD2-CG 4.11Å; L43-E173 HydrophobicContact CD2-CB 3.81Å; L43-E173 HydrophobicContact CG-CB 4.09Å; L43-S174 VanDerWaalsContact CD2-OG 3.31Å; L43-S174 WeakPolarHBondContact CD2-OG 3.4Å; L43-H177 HydrophobicContact CD1-CB 4.17Å
44	G	98.4	Very high	98.2	Very high	36 Å²	36	60.3 Å²	60.3	37%	0.371	33%	0.331	S	S	.	.	H	α-helix	trans	-59.7	-52.2	173.8	0	0	0	0	0	112.3	E40 E41 Q42 L46 S47 E48	E40-G44 PolarHBondContact O-N 2.67Å; E40-G44 VanDerWaalsContact O-N 3.17Å; E41-G44 PolarHBondContact O-N 3.3Å; Q42-G44 VanDerWaalsContact C-N 3.29Å; Q42-G44 PolarHBondContact O-N 3.37Å; G44-L46 PolarHBondContact O-N 2.87Å; G44-S47 WeakPolarHBondContact O-CB 3.49Å; G44-S47 PolarHBondContact O-N 3.22Å; G44-E48 PolarHBondContact O-N 3.46Å
45	V	98.5	Very high	98.3	Very high	53 Å²	53	61.4 Å²	61.4	32%	0.321	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-44.4	180	172.2	0	0	0	0	111.9	E41 Q42 E48 K49	E41-V45 PolarHBondContact O-N 3.26Å; Q42-V45 PolarHBondContact O-N 3.02Å; V45-E48 PolarHBondContact O-N 3.5Å; V45-K49 WeakPolarHBondContact O-CG 3.28Å; V45-K49 PolarHBondContact O-N 2.93Å; V45-K49 VanDerWaalsContact O-N 3.12Å
46	L	98.5	Very high	98.4	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.052	34%	0.34	C	S	.	.	H	α-helix	trans	-67.1	-40.3	-179.4	-70.1	163.7	0	0	0	111.4	Q42 G44 E48 K49 I50 D166 L170 E173	Q42-L46 WeakPolarHBondContact O-CB 3.23Å; Q42-L46 WeakPolarHBondContact O-CD1 3.22Å; Q42-L46 VanDerWaalsContact O-CG 3.24Å; Q42-L46 WeakPolarHBondContact O-CG 3.33Å; Q42-L46 PolarHBondContact O-N 3.07Å; G44-L46 PolarHBondContact O-N 2.87Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-E48 PolarHBondContact O-N 3.48Å; L46-K49 PolarHBondContact O-N 3.24Å; L46-I50 WeakPolarHBondContact O-CD1 3.43Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.29Å; L46-I50 PolarHBondContact O-N 3.49Å; L46-D166 HydrophobicContact CD2-CB 4.17Å; L46-L170 HydrophobicContact CB-CB 4.21Å; L46-L170 HydrophobicContact CB-CD1 4.24Å; L46-L170 HydrophobicContact CD1-CB 4.3Å; L46-E173 HydrophobicContact CD1-CB 4.48Å; L46-E173 HydrophobicContact CD1-CG 4Å
47	S	98.6	Very high	98.4	Very high	53 Å²	53	62.3 Å²	62.3	37%	0.371	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-44.3	174.5	-175.4	0	0	0	0	111.9	L43 G44 K49 I50 N51	L43-S47 VanDerWaalsContact O-CB 3.27Å; L43-S47 WeakPolarHBondContact O-CB 3.36Å; L43-S47 PolarHBondContact O-N 3.46Å; G44-S47 WeakPolarHBondContact O-CB 3.49Å; G44-S47 PolarHBondContact O-N 3.22Å; S47-K49 PolarHBondContact O-N 3.48Å; S47-I50 PolarHBondContact O-N 3.27Å; S47-N51 WeakPolarHBondContact O-CB 3.42Å; S47-N51 VanDerWaalsContact O-CG 3.24Å; S47-N51 PolarHBondContact O-N 2.89Å; S47-N51 PolarHBondContact O-ND2 2.93Å
48	E	98.6	Very high	98.4	Very high	143 Å²	143	63.2 Å²	63.2	67%	0.668	34%	0.335	S	S	*	.	H	α-helix	trans	-61	-44	176.1	-72.4	-177.7	178.4	0	0	112.5	G44 V45 L46 N51 A52	G44-E48 PolarHBondContact O-N 3.46Å; V45-E48 PolarHBondContact O-N 3.5Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-E48 PolarHBondContact O-N 3.48Å; E48-N51 PolarHBondContact O-N 3.04Å; E48-A52 WeakPolarHBondContact O-CB 3.35Å; E48-A52 PolarHBondContact O-N 2.92Å
49	K	98.6	Very high	98.4	Very high	99 Å²	99	60.6 Å²	60.6	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-45.1	177.1	-71.1	178.2	-179.7	177.5	0	112.4	V45 L46 S47 N51 A52 S53	V45-K49 WeakPolarHBondContact O-CG 3.28Å; V45-K49 PolarHBondContact O-N 2.93Å; V45-K49 VanDerWaalsContact O-N 3.12Å; L46-K49 PolarHBondContact O-N 3.24Å; S47-K49 PolarHBondContact O-N 3.48Å; K49-N51 VanDerWaalsContact C-N 3.33Å; K49-N51 PolarHBondContact O-N 3.09Å; K49-A52 WeakPolarHBondContact O-CB 3.24Å; K49-A52 PolarHBondContact O-N 3.43Å; K49-S53 PolarHBondContact O-N 3.08Å
50	I	98.6	Very high	98.3	Very high	20 Å²	20	60.9 Å²	60.9	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-45.6	177.4	-68.5	162.6	0	0	0	110.1	L46 S47 A52 S53 D54 K163 D166 V167 L170	L46-I50 WeakPolarHBondContact O-CD1 3.43Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.29Å; L46-I50 PolarHBondContact O-N 3.49Å; S47-I50 PolarHBondContact O-N 3.27Å; I50-A52 VanDerWaalsContact C-N 3.32Å; I50-A52 PolarHBondContact O-N 3.45Å; I50-S53 PolarHBondContact O-N 3.45Å; I50-D54 PolarHBondContact O-N 3.41Å; I50-K163 HydrophobicContact CG2-CG 4.18Å; I50-D166 HydrophobicContact CD1-CB 4.38Å; I50-D166 HydrophobicContact CG1-CB 3.82Å; I50-V167 HydrophobicContact CD1-CG2 3.71Å; I50-V167 HydrophobicContact CG1-CG2 4.06Å; I50-L170 HydrophobicContact CD1-CB 4.26Å; I50-L170 HydrophobicContact CD1-CD1 3.66Å
51	N	98.6	Very high	98.1	Very high	88 Å²	88	58.2 Å²	58.2	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-36.7	177.5	-70.3	-36.2	0	0	0	112.6	S47 E48 K49 D54 S55	S47-N51 WeakPolarHBondContact O-CB 3.42Å; S47-N51 VanDerWaalsContact O-CG 3.24Å; S47-N51 PolarHBondContact O-N 2.89Å; S47-N51 PolarHBondContact O-ND2 2.93Å; E48-N51 PolarHBondContact O-N 3.04Å; K49-N51 VanDerWaalsContact C-N 3.33Å; K49-N51 PolarHBondContact O-N 3.09Å; N51-D54 PolarHBondContact O-N 2.88Å; N51-S55 WeakPolarHBondContact O-CB 3.44Å; N51-S55 PolarHBondContact O-N 3.16Å; N51-S55 PolarHBondContact O-OG 2.77Å
52	A	98.5	Very high	98	Very high	60 Å²	60	55.7 Å²	55.7	50%	0.496	31%	0.313	S	S	.	.	H	α-helix	trans	-64.9	-46.1	175.1	0	0	0	0	0	111.4	E48 K49 I50 D54 S55 E56	E48-A52 WeakPolarHBondContact O-CB 3.35Å; E48-A52 PolarHBondContact O-N 2.92Å; K49-A52 WeakPolarHBondContact O-CB 3.24Å; K49-A52 PolarHBondContact O-N 3.43Å; I50-A52 VanDerWaalsContact C-N 3.32Å; I50-A52 PolarHBondContact O-N 3.45Å; A52-D54 VanDerWaalsContact C-N 3.34Å; A52-D54 PolarHBondContact O-N 3.41Å; A52-S55 PolarHBondContact O-N 3.01Å; A52-E56 PolarHBondContact O-N 3.21Å
53	S	98.5	Very high	97.7	Very high	8 Å²	8	58.7 Å²	58.7	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-39.7	174	-72.6	0	0	0	0	112.3	K49 I50 S55 E56 I57 Q159	K49-S53 PolarHBondContact O-N 3.08Å; I50-S53 PolarHBondContact O-N 3.45Å; S53-S55 VanDerWaalsContact C-N 3.33Å; S53-S55 PolarHBondContact O-N 3.18Å; S53-E56 PolarHBondContact O-N 3.43Å; S53-I57 WeakPolarHBondContact O-CB 3.48Å; S53-I57 WeakPolarHBondContact O-CD1 3.46Å; S53-I57 VanDerWaalsContact O-CG1 3.22Å; S53-I57 WeakPolarHBondContact O-CG1 3.41Å; S53-I57 PolarHBondContact O-N 3.49Å; S53-Q159 PolarHBondContact OG-OE1 3.43Å; S53-Q159 VanDerWaalsContact OG-OE1 3.06Å
54	D	98.4	Very high	97.4	Very high	61 Å²	61	57.2 Å²	57.2	33%	0.326	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-41.5	175	-86.9	-28.2	0	0	0	112.6	I50 N51 A52 Q58 K163	I50-D54 PolarHBondContact O-N 3.41Å; N51-D54 PolarHBondContact O-N 2.88Å; A52-D54 VanDerWaalsContact C-N 3.34Å; A52-D54 PolarHBondContact O-N 3.41Å; D54-Q58 WeakPolarHBondContact O-CB 3.38Å; D54-Q58 PolarHBondContact O-N 3.27Å; D54-K163 WeakPolarHBondContact OD1-CE 3.2Å; D54-K163 IonicContact OD1-NZ 3.73Å; D54-K163 PolarHBondContact OD1-NZ 2.85Å; D54-K163 WeakPolarHBondContact OD2-CE 3.29Å; D54-K163 IonicContact OD2-NZ 3.97Å; D54-K163 PolarHBondContact OD2-NZ 3.07Å
55	S	98.5	Very high	97.1	Very high	82 Å²	82	58.1 Å²	58.1	57%	0.573	31%	0.313	S	S	*	.	H	α-helix	trans	-64.7	-41	176.3	-59	0	0	0	0	111.9	N51 A52 S53 Q58 S59	N51-S55 WeakPolarHBondContact O-CB 3.44Å; N51-S55 PolarHBondContact O-N 3.16Å; N51-S55 PolarHBondContact O-OG 2.77Å; A52-S55 PolarHBondContact O-N 3.01Å; S53-S55 VanDerWaalsContact C-N 3.33Å; S53-S55 PolarHBondContact O-N 3.18Å; S55-Q58 PolarHBondContact O-N 2.94Å; S55-S59 WeakPolarHBondContact O-CB 3.36Å; S55-S59 PolarHBondContact O-N 3.48Å
56	E	98.4	Very high	96.7	Very high	69 Å²	69	64.5 Å²	64.5	32%	0.322	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-44.7	178.2	-173.1	64.1	-168.6	0	0	111.8	A52 S53 Q58 S59 L60 Q155 Q159	A52-E56 PolarHBondContact O-N 3.21Å; S53-E56 PolarHBondContact O-N 3.43Å; E56-Q58 VanDerWaalsContact C-N 3.29Å; E56-Q58 PolarHBondContact O-N 2.9Å; E56-S59 PolarHBondContact O-N 2.84Å; E56-L60 HydrophobicContact CG-CD1 4Å; E56-L60 WeakPolarHBondContact O-CB 2.96Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 3.33Å; E56-Q155 PolarHBondContact OE1-NE2 3.02Å; E56-Q159 HydrophobicContact CB-CG 4.26Å; E56-Q159 HydrophobicContact CG-CG 3.83Å
57	I	98.2	Very high	96.3	Very high	12 Å²	12	68 Å²	68	6%	0.062	37%	0.368	C	S	.	.	H	α-helix	trans	-56.6	-46.6	174.6	-69.8	162.1	0	0	0	109.9	S53 L60 R61 I79 I156 Q159 I160 K163	S53-I57 WeakPolarHBondContact O-CB 3.48Å; S53-I57 WeakPolarHBondContact O-CD1 3.46Å; S53-I57 VanDerWaalsContact O-CG1 3.22Å; S53-I57 WeakPolarHBondContact O-CG1 3.41Å; S53-I57 PolarHBondContact O-N 3.49Å; I57-L60 PolarHBondContact O-N 3.33Å; I57-R61 WeakPolarHBondContact O-CB 3.3Å; I57-R61 PolarHBondContact O-N 3.29Å; I57-I79 HydrophobicContact CG2-CD1 4.02Å; I57-I79 HydrophobicContact CG2-CG1 4.41Å; I57-I79 HydrophobicContact CG2-CG2 4.16Å; I57-I156 HydrophobicContact CG2-CG2 4.45Å; I57-Q159 HydrophobicContact CD1-CB 4.04Å; I57-Q159 HydrophobicContact CG1-CB 3.55Å; I57-I160 HydrophobicContact CD1-CG1 3.72Å; I57-I160 HydrophobicContact CG1-CG1 4.28Å; I57-K163 HydrophobicContact CD1-CD 4.42Å
58	Q	97.8	Very high	95.7	Very high	88 Å²	88	69 Å²	69	41%	0.411	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-43.6	179.1	-175.4	60.3	41.7	0	0	112.1	D54 S55 E56 R61 D62	D54-Q58 WeakPolarHBondContact O-CB 3.38Å; D54-Q58 PolarHBondContact O-N 3.27Å; S55-Q58 PolarHBondContact O-N 2.94Å; E56-Q58 VanDerWaalsContact C-N 3.29Å; E56-Q58 PolarHBondContact O-N 2.9Å; Q58-R61 WeakPolarHBondContact O-CB 3.38Å; Q58-R61 PolarHBondContact O-N 2.94Å; Q58-D62 PolarHBondContact NE2-OD1 3.3Å; Q58-D62 PolarHBondContact NE2-OD2 2.92Å; Q58-D62 WeakPolarHBondContact O-CB 3.41Å; Q58-D62 VanDerWaalsContact O-CG 3.24Å; Q58-D62 PolarHBondContact O-N 3.1Å
59	S	97.8	Very high	94.8	Very high	71 Å²	71	66.5 Å²	66.5	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-48.1	176.9	178.1	0	0	0	0	112	S55 E56 D62 K63	S55-S59 WeakPolarHBondContact O-CB 3.36Å; S55-S59 PolarHBondContact O-N 3.48Å; E56-S59 PolarHBondContact O-N 2.84Å; S59-D62 PolarHBondContact O-N 3.38Å; S59-K63 WeakPolarHBondContact O-CB 3.46Å; S59-K63 PolarHBondContact O-N 2.93Å
60	L	95.9	Very high	93.8	Very high	7 Å²	7	69.6 Å²	69.6	4%	0.037	38%	0.381	C	S	.	.	H	α-helix	trans	-65.3	-43.1	178.3	-69.9	167.3	0	0	0	111.7	E56 I57 D62 K63 I64 D152 Q155 I156	E56-L60 HydrophobicContact CG-CD1 4Å; E56-L60 WeakPolarHBondContact O-CB 2.96Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 3.33Å; I57-L60 PolarHBondContact O-N 3.33Å; L60-D62 VanDerWaalsContact C-N 3.34Å; L60-D62 PolarHBondContact O-N 3.36Å; L60-K63 WeakPolarHBondContact O-CB 3.46Å; L60-K63 PolarHBondContact O-N 2.93Å; L60-I64 VanDerWaalsContact O-CG1 3.29Å; L60-I64 WeakPolarHBondContact O-CG1 3.16Å; L60-I64 PolarHBondContact O-N 3.31Å; L60-D152 HydrophobicContact CD2-CB 4.47Å; L60-Q155 HydrophobicContact CD1-CB 3.89Å; L60-Q155 HydrophobicContact CD1-CG 3.66Å; L60-I156 HydrophobicContact CB-CD1 3.76Å; L60-I156 HydrophobicContact CB-CG1 3.51Å; L60-I156 HydrophobicContact CD1-CG1 3.82Å; L60-I156 HydrophobicContact CG-CG1 4.32Å
61	R	94.8	Very high	92.4	Very high	49 Å²	49	70 Å²	70	19%	0.185	39%	0.39	C	S	.	.	H	α-helix	trans	-55.6	-49.5	174.3	177.2	-162	175	-80.5	-6.9	111.2	I57 Q58 K63 I64 I65 I75 D76 I79 I156	I57-R61 WeakPolarHBondContact O-CB 3.3Å; I57-R61 PolarHBondContact O-N 3.29Å; Q58-R61 WeakPolarHBondContact O-CB 3.38Å; Q58-R61 PolarHBondContact O-N 2.94Å; R61-K63 VanDerWaalsContact C-N 3.32Å; R61-K63 PolarHBondContact O-N 3.43Å; R61-I64 PolarHBondContact O-N 2.55Å; R61-I65 HydrophobicContact CG-CD1 4Å; R61-I65 VanDerWaalsContact NH1-CD1 3.28Å; R61-I65 WeakPolarHBondContact O-CG1 3.35Å; R61-I65 PolarHBondContact O-N 3.2Å; R61-I75 HydrophobicContact CG-CG2 4.32Å; R61-D76 IonicContact CZ-OD1 3.11Å; R61-D76 IonicContact CZ-OD2 3.84Å; R61-D76 IonicContact NE-OD1 2.62Å; R61-D76 PolarHBondContact NE-OD1 2.81Å; R61-D76 IonicContact NH2-OD1 2.78Å; R61-D76 PolarHBondContact NH2-OD1 3.42Å; R61-D76 IonicContact NH2-OD2 2.79Å; R61-D76 PolarHBondContact NH2-OD2 2.82Å; R61-I79 HydrophobicContact CB-CD1 4.03Å; R61-I79 HydrophobicContact CG-CD1 3.97Å; R61-I156 HydrophobicContact CB-CD1 4.49Å
62	D	94.8	Very high	91.3	Very high	75 Å²	75	66.6 Å²	66.6	40%	0.401	37%	0.371	S	S	.	.	H	α-helix	trans	-67.1	-35.2	-178.3	-69.3	-19.6	0	0	0	111.9	Q58 S59 L60 K66	Q58-D62 PolarHBondContact NE2-OD1 3.3Å; Q58-D62 PolarHBondContact NE2-OD2 2.92Å; Q58-D62 WeakPolarHBondContact O-CB 3.41Å; Q58-D62 VanDerWaalsContact O-CG 3.24Å; Q58-D62 PolarHBondContact O-N 3.1Å; S59-D62 PolarHBondContact O-N 3.38Å; L60-D62 VanDerWaalsContact C-N 3.34Å; L60-D62 PolarHBondContact O-N 3.36Å; D62-K66 VanDerWaalsContact O-CB 3.27Å; D62-K66 WeakPolarHBondContact O-CB 3.22Å; D62-K66 PolarHBondContact O-N 3.03Å
63	K	93.7	Very high	90	Very high	111 Å²	111	70.4 Å²	70.4	48%	0.483	38%	0.38	S	S	.	.	H	α-helix	trans	-61.4	-46.4	171.4	-179	-173	173.7	-162.1	0	111.6	S59 L60 R61 K66 A67 D152	S59-K63 WeakPolarHBondContact O-CB 3.46Å; S59-K63 PolarHBondContact O-N 2.93Å; L60-K63 WeakPolarHBondContact O-CB 3.46Å; L60-K63 PolarHBondContact O-N 2.93Å; R61-K63 VanDerWaalsContact C-N 3.32Å; R61-K63 PolarHBondContact O-N 3.43Å; K63-K66 PolarHBondContact O-N 3.49Å; K63-A67 WeakPolarHBondContact O-CB 3.49Å; K63-A67 PolarHBondContact O-N 2.66Å; K63-D152 VanDerWaalsContact CE-OD2 3.24Å; K63-D152 WeakPolarHBondContact CE-OD2 3.36Å; K63-D152 VanDerWaalsContact NZ-CG 3.31Å; K63-D152 IonicContact NZ-OD1 2.7Å; K63-D152 PolarHBondContact NZ-OD1 3.38Å; K63-D152 IonicContact NZ-OD2 3.14Å; K63-D152 PolarHBondContact NZ-OD2 3.43Å; K63-D152 VanDerWaalsContact NZ-OD2 3.14Å
64	I	91.7	Very high	89.6	Confident	6 Å²	6	72.9 Å²	72.9	3%	0.031	39%	0.393	C	S	.	.	H	α-helix	trans	-61.4	-51.5	178.4	-71	169.4	0	0	0	110.6	L60 R61 K66 A67 D68 M72 I75 D152 V153 I156	L60-I64 VanDerWaalsContact O-CG1 3.29Å; L60-I64 WeakPolarHBondContact O-CG1 3.16Å; L60-I64 PolarHBondContact O-N 3.31Å; R61-I64 PolarHBondContact O-N 2.55Å; I64-K66 PolarHBondContact O-N 3.42Å; I64-A67 PolarHBondContact O-N 2.78Å; I64-A67 VanDerWaalsContact O-N 3.09Å; I64-D68 PolarHBondContact O-N 3.45Å; I64-M72 HydrophobicContact CG2-CB 3.44Å; I64-M72 VanDerWaalsContact CG2-CB 3.44Å; I64-M72 HydrophobicContact CG2-CG 3.41Å; I64-M72 VanDerWaalsContact CG2-CG 3.41Å; I64-M72 HydrophobicContact CG2-SD 4.04Å; I64-I75 HydrophobicContact CD1-CD1 4.14Å; I64-I75 HydrophobicContact CD1-CG1 4.39Å; I64-D152 HydrophobicContact CD1-CB 3.78Å; I64-D152 HydrophobicContact CG1-CB 3.69Å; I64-V153 HydrophobicContact CD1-CG2 3.92Å; I64-I156 HydrophobicContact CD1-CD1 3.51Å
65	I	91.4	Very high	89.4	Confident	56 Å²	56	70 Å²	70	29%	0.287	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-38.6	-179.5	-70.8	171.1	0	0	0	111.1	R61 D68 P69 I75	R61-I65 HydrophobicContact CG-CD1 4Å; R61-I65 VanDerWaalsContact NH1-CD1 3.28Å; R61-I65 WeakPolarHBondContact O-CG1 3.35Å; R61-I65 PolarHBondContact O-N 3.2Å; I65-D68 CarbonylContact O-C 3.59Å; I65-P69 WeakPolarHBondContact O-CA 3.32Å; I65-P69 WeakPolarHBondContact O-CD 3.38Å; I65-P69 VanDerWaalsContact O-CG 3.27Å; I65-P69 WeakPolarHBondContact O-CG 3.47Å; I65-I75 HydrophobicContact CD1-CG2 4.04Å; I65-I75 HydrophobicContact CG1-CG2 3.9Å
66	K	91.7	Very high	89.2	Confident	186 Å²	186	69.7 Å²	69.7	81%	0.809	37%	0.37	S	S	*	.	H	α-helix	trans	-68.8	-37	177.4	-175.2	179.4	178.7	-178.3	0	112.7	D62 K63 I64	D62-K66 VanDerWaalsContact O-CB 3.27Å; D62-K66 WeakPolarHBondContact O-CB 3.22Å; D62-K66 PolarHBondContact O-N 3.03Å; K63-K66 PolarHBondContact O-N 3.49Å; I64-K66 PolarHBondContact O-N 3.42Å
67	A	90.1	Very high	88.9	Confident	85 Å²	85	71.5 Å²	71.5	70%	0.702	38%	0.378	S	S	*	.	H	α-helix	trans	-74.7	-39	-178.8	0	0	0	0	0	112.4	K63 I64	K63-A67 WeakPolarHBondContact O-CB 3.49Å; K63-A67 PolarHBondContact O-N 2.66Å; I64-A67 PolarHBondContact O-N 2.78Å; I64-A67 VanDerWaalsContact O-N 3.09Å
68	D	84.9	Confident	88.8	Confident	73 Å²	73	71.3 Å²	71.3	39%	0.39	38%	0.377	S	S	.	.			trans	-146.2	83.7	179.9	-173.5	4.2	0	0	0	112	I64 I65 Q70 G71 M72	I64-D68 PolarHBondContact O-N 3.45Å; I65-D68 CarbonylContact O-C 3.59Å; D68-Q70 PolarHBondContact O-N 3.06Å; D68-Q70 VanDerWaalsContact O-N 3.15Å; D68-Q70 PolarHBondContact OD1-N 2.84Å; D68-G71 VanDerWaalsContact CG-N 3.32Å; D68-G71 PolarHBondContact OD1-N 2.99Å; D68-G71 WeakPolarHBondContact OD2-CA 3.43Å; D68-G71 PolarHBondContact OD2-N 3.14Å; D68-M72 PolarHBondContact O-N 3.32Å
69	P	80.9	Confident	88.7	Confident	90 Å²	90	68.3 Å²	68.3	58%	0.584	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.4	-177.7	-22.7	30.5	0	0	0	114.7	I65	I65-P69 WeakPolarHBondContact O-CA 3.32Å; I65-P69 WeakPolarHBondContact O-CD 3.38Å; I65-P69 VanDerWaalsContact O-CG 3.27Å; I65-P69 WeakPolarHBondContact O-CG 3.47Å
70	Q	77.6	Confident	88.5	Confident	165 Å²	165	71 Å²	71	77%	0.771	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-41.2	-175	-70.8	-174.7	-1.4	0	0	112.7	D68 M72 M73	D68-Q70 PolarHBondContact O-N 3.06Å; D68-Q70 VanDerWaalsContact O-N 3.15Å; D68-Q70 PolarHBondContact OD1-N 2.84Å; Q70-M72 PolarHBondContact O-N 3.35Å; Q70-M73 WeakPolarHBondContact O-CG 3.45Å
71	G	69.2	Low	88.4	Confident	29 Å²	29	71.5 Å²	71.5	30%	0.299	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-14	-177.8	0	0	0	0	0	114.1	D68 P147	D68-G71 VanDerWaalsContact CG-N 3.32Å; D68-G71 PolarHBondContact OD1-N 2.99Å; D68-G71 WeakPolarHBondContact OD2-CA 3.43Å; D68-G71 PolarHBondContact OD2-N 3.14Å; G71-P147 WeakPolarHBondContact O-CG 3.5Å
72	M	74	Confident	88.4	Confident	15 Å²	15	69.6 Å²	69.6	7%	0.074	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	28.1	179.4	-66.7	-76.9	-171.3	0	0	112.6	I64 D68 Q70 N74 I75 I146 T150 V153	I64-M72 HydrophobicContact CG2-CB 3.44Å; I64-M72 VanDerWaalsContact CG2-CB 3.44Å; I64-M72 HydrophobicContact CG2-CG 3.41Å; I64-M72 VanDerWaalsContact CG2-CG 3.41Å; I64-M72 HydrophobicContact CG2-SD 4.04Å; D68-M72 PolarHBondContact O-N 3.32Å; Q70-M72 PolarHBondContact O-N 3.35Å; M72-N74 PolarHBondContact O-N 2.92Å; M72-I75 WeakPolarHBondContact O-CB 3.28Å; M72-I75 WeakPolarHBondContact O-CG2 3.3Å; M72-I75 PolarHBondContact O-N 3.4Å; M72-I146 HydrophobicContact CE-CG2 4.27Å; M72-I146 HydrophobicContact SD-CD1 4.36Å; M72-I146 HydrophobicContact SD-CG2 4Å; M72-T150 HydrophobicContact CE-CG2 3.64Å; M72-V153 HydrophobicContact CE-CG2 3.96Å; M72-V153 HydrophobicContact SD-CG2 4.24Å
73	M	72.4	Confident	88.5	Confident	140 Å²	140	66.8 Å²	66.8	69%	0.69	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-26.1	178	-87	-178.9	59.2	0	0	113.8	Q70	Q70-M73 WeakPolarHBondContact O-CG 3.45Å
74	N	90.3	Very high	88.5	Confident	61 Å²	61	63.5 Å²	63.5	33%	0.326	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	9.8	-176.9	-59.1	-14.2	0	0	0	113.5	M72 D76 E77 F78 L145	M72-N74 PolarHBondContact O-N 2.92Å; N74-D76 PolarHBondContact O-N 2.89Å; N74-E77 PolarHBondContact O-N 3.43Å; N74-E77 VanDerWaalsContact O-N 3.11Å; N74-F78 WeakPolarHBondContact O-CB 3.25Å; N74-F78 PolarHBondContact O-N 3.44Å; N74-L145 HydrophobicContact CB-CB 4.33Å; N74-L145 WeakPolarHBondContact CB-O 3.4Å; N74-L145 PolarHBondContact ND2-O 3.23Å; N74-L145 VanDerWaalsContact ND2-O 3.07Å
75	I	93.4	Very high	88.6	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-59.2	-34.8	-178.7	-169.3	58.1	0	0	0	112.5	R61 I64 I65 M72 F78 I79 I146 V153 I156	R61-I75 HydrophobicContact CG-CG2 4.32Å; I64-I75 HydrophobicContact CD1-CD1 4.14Å; I64-I75 HydrophobicContact CD1-CG1 4.39Å; I65-I75 HydrophobicContact CD1-CG2 4.04Å; I65-I75 HydrophobicContact CG1-CG2 3.9Å; M72-I75 WeakPolarHBondContact O-CB 3.28Å; M72-I75 WeakPolarHBondContact O-CG2 3.3Å; M72-I75 PolarHBondContact O-N 3.4Å; I75-F78 HydrophobicContact CD1-CD1 4Å; I75-F78 PolarHBondContact O-N 3Å; I75-I79 HydrophobicContact CD1-CD1 4.49Å; I75-I79 HydrophobicContact CG1-CD1 4.06Å; I75-I79 VanDerWaalsContact O-CG1 3.28Å; I75-I79 WeakPolarHBondContact O-CG1 3.48Å; I75-I79 PolarHBondContact O-N 3.19Å; I75-I146 HydrophobicContact CD1-CD1 4.08Å; I75-V153 HydrophobicContact CD1-CG2 4.37Å; I75-I156 HydrophobicContact CD1-CD1 4.1Å; I75-I156 HydrophobicContact CG1-CD1 4.44Å
76	D	93.6	Very high	88.8	Confident	74 Å²	74	63.4 Å²	63.4	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-44.8	175.2	-74.1	-29.9	0	0	0	112.5	R61 N74 F78 I79 K80	R61-D76 IonicContact CZ-OD1 3.11Å; R61-D76 IonicContact CZ-OD2 3.84Å; R61-D76 IonicContact NE-OD1 2.62Å; R61-D76 PolarHBondContact NE-OD1 2.81Å; R61-D76 IonicContact NH2-OD1 2.78Å; R61-D76 PolarHBondContact NH2-OD1 3.42Å; R61-D76 IonicContact NH2-OD2 2.79Å; R61-D76 PolarHBondContact NH2-OD2 2.82Å; N74-D76 PolarHBondContact O-N 2.89Å; D76-F78 VanDerWaalsContact C-N 3.31Å; D76-I79 PolarHBondContact O-N 2.97Å; D76-K80 VanDerWaalsContact O-CB 3.28Å; D76-K80 WeakPolarHBondContact O-CB 3.43Å; D76-K80 PolarHBondContact O-N 2.96Å
77	E	93.7	Very high	88.9	Confident	108 Å²	108	56 Å²	56	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-38.8	177.9	-61	-174	168.9	0	0	110.6	N74 C81 L145	N74-E77 PolarHBondContact O-N 3.43Å; N74-E77 VanDerWaalsContact O-N 3.11Å; E77-C81 WeakPolarHBondContact O-CB 3.18Å; E77-C81 PolarHBondContact O-N 3.39Å; E77-L145 HydrophobicContact CB-CD1 3.99Å; E77-L145 HydrophobicContact CB-CD2 4.41Å
78	F	94.2	Very high	89	Confident	8 Å²	8	52 Å²	52	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-54.4	173.8	172.1	-97.7	0	0	0	111.8	N74 I75 D76 K80 C81 K82 C142 L145 I146 V153 I156 D157	N74-F78 WeakPolarHBondContact O-CB 3.25Å; N74-F78 PolarHBondContact O-N 3.44Å; I75-F78 HydrophobicContact CD1-CD1 4Å; I75-F78 PolarHBondContact O-N 3Å; D76-F78 VanDerWaalsContact C-N 3.31Å; F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 3.25Å; F78-C81 PolarHBondContact O-N 2.88Å; F78-K82 HydrophobicContact CD2-CG 4.14Å; F78-K82 HydrophobicContact CE1-CG 4.16Å; F78-K82 HydrophobicContact CE2-CD 4.29Å; F78-K82 HydrophobicContact CE2-CG 3.75Å; F78-K82 HydrophobicContact CZ-CD 4.38Å; F78-K82 HydrophobicContact CZ-CG 3.77Å; F78-K82 WeakPolarHBondContact O-CB 3.47Å; F78-K82 WeakPolarHBondContact O-CG 3.39Å; F78-K82 PolarHBondContact O-N 3.33Å; F78-C142 WeakPolarHBondContact CD2-O 3.2Å; F78-L145 HydrophobicContact CB-CB 4.34Å; F78-I146 HydrophobicContact CB-CD1 3.66Å; F78-I146 HydrophobicContact CB-CG1 3.71Å; F78-I146 HydrophobicContact CD1-CG1 4.26Å; F78-I146 HydrophobicContact CD2-CD1 4.45Å; F78-I146 HydrophobicContact CD2-CG1 3.55Å; F78-I146 HydrophobicContact CE2-CG1 4.21Å; F78-I146 HydrophobicContact CG-CD1 4.02Å; F78-I146 HydrophobicContact CG-CG1 3.57Å; F78-V153 HydrophobicContact CE1-CG1 4.12Å; F78-V153 HydrophobicContact CZ-CG1 4.07Å; F78-I156 HydrophobicContact CE1-CG2 4.12Å; F78-D157 HydrophobicContact CZ-CB 4.26Å
79	I	96	Very high	89.4	Confident	24 Å²	24	50 Å²	50	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-46.7	179.8	-70.7	165.5	0	0	0	110	I57 R61 I75 D76 S83 I156 I160	I57-I79 HydrophobicContact CG2-CD1 4.02Å; I57-I79 HydrophobicContact CG2-CG1 4.41Å; I57-I79 HydrophobicContact CG2-CG2 4.16Å; R61-I79 HydrophobicContact CB-CD1 4.03Å; R61-I79 HydrophobicContact CG-CD1 3.97Å; I75-I79 HydrophobicContact CD1-CD1 4.49Å; I75-I79 HydrophobicContact CG1-CD1 4.06Å; I75-I79 VanDerWaalsContact O-CG1 3.28Å; I75-I79 WeakPolarHBondContact O-CG1 3.48Å; I75-I79 PolarHBondContact O-N 3.19Å; D76-I79 PolarHBondContact O-N 2.97Å; I79-S83 WeakPolarHBondContact O-CB 3.32Å; I79-S83 PolarHBondContact O-N 2.97Å; I79-S83 PolarHBondContact O-OG 3.11Å; I79-I156 HydrophobicContact CD1-CD1 4.44Å; I79-I156 HydrophobicContact CD1-CG2 4.32Å; I79-I156 HydrophobicContact CG1-CG2 3.77Å; I79-I160 HydrophobicContact CB-CD1 4.32Å; I79-I160 HydrophobicContact CG1-CD1 4.28Å; I79-I160 HydrophobicContact CG2-CD1 4.15Å
80	K	95	Very high	90.1	Very high	127 Å²	127	47.5 Å²	47.5	55%	0.552	24%	0.236	S	C	*	.	H	α-helix	trans	-60.4	-52.1	177.6	-177.6	-178.4	173.9	-174.2	0	111.6	D76 F78 K82 S83 E84	D76-K80 VanDerWaalsContact O-CB 3.28Å; D76-K80 WeakPolarHBondContact O-CB 3.43Å; D76-K80 PolarHBondContact O-N 2.96Å; F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 3.25Å; K80-K82 PolarHBondContact O-N 3.22Å; K80-S83 WeakPolarHBondContact O-CB 3.39Å; K80-S83 PolarHBondContact O-N 3.41Å; K80-E84 WeakPolarHBondContact CE-OE1 3.2Å; K80-E84 HydrophobicContact CG-CG 4.38Å; K80-E84 IonicContact NZ-OE1 2.93Å; K80-E84 WeakPolarHBondContact O-CG 3.25Å; K80-E84 PolarHBondContact O-N 3.42Å
81	C	94	Very high	91	Very high	19 Å²	19	39.8 Å²	39.8	13%	0.128	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-47.5	-177.7	-171.9	0	0	0	0	111.6	E77 F78 S83 E84 Y85 C142 L145	E77-C81 WeakPolarHBondContact O-CB 3.18Å; E77-C81 PolarHBondContact O-N 3.39Å; F78-C81 PolarHBondContact O-N 2.88Å; C81-S83 VanDerWaalsContact C-N 3.34Å; C81-S83 PolarHBondContact O-N 3.18Å; C81-E84 PolarHBondContact O-N 3.36Å; C81-Y85 WeakPolarHBondContact O-CB 3.45Å; C81-Y85 PolarHBondContact O-N 3.4Å; C81-C142 HydrophobicContact CB-CB 3.68Å; C81-C142 WeakPolarHBondContact CB-SG 3.47Å; C81-C142 PolarHBondContact O-SG 2.93Å; C81-C142 WeakPolarHBondContact SG-CA 3.29Å; C81-C142 WeakPolarHBondContact SG-CB 3.47Å; C81-C142 CovalentContact SG-SG 2.03Å; C81-C142 PolarHBondContact SG-SG 3.2Å; C81-L145 HydrophobicContact CB-CD1 3.89Å
82	K	94.8	Very high	92.2	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-42.4	175.8	-76.6	-69.5	-153.6	150	0	112	F78 K80 Y85 W86 L139 C142 D157 I160	F78-K82 HydrophobicContact CD2-CG 4.14Å; F78-K82 HydrophobicContact CE1-CG 4.16Å; F78-K82 HydrophobicContact CE2-CD 4.29Å; F78-K82 HydrophobicContact CE2-CG 3.75Å; F78-K82 HydrophobicContact CZ-CD 4.38Å; F78-K82 HydrophobicContact CZ-CG 3.77Å; F78-K82 WeakPolarHBondContact O-CB 3.47Å; F78-K82 WeakPolarHBondContact O-CG 3.39Å; F78-K82 PolarHBondContact O-N 3.33Å; K80-K82 PolarHBondContact O-N 3.22Å; K82-Y85 PolarHBondContact O-N 3.02Å; K82-W86 PolarHBondContact O-N 3.2Å; K82-L139 HydrophobicContact CD-CD1 3.83Å; K82-C142 HydrophobicContact CD-CB 4.18Å; K82-C142 HydrophobicContact CG-CB 4.19Å; K82-D157 WeakPolarHBondContact CD-OD1 3.47Å; K82-D157 WeakPolarHBondContact CE-OD1 3.47Å; K82-D157 IonicContact NZ-OD1 2.69Å; K82-D157 PolarHBondContact NZ-OD1 3.17Å; K82-D157 IonicContact NZ-OD2 3.67Å; K82-D157 PolarHBondContact NZ-OD2 3.22Å; K82-I160 HydrophobicContact CB-CD1 3.87Å; K82-I160 HydrophobicContact CB-CG2 4.15Å
83	S	96.1	Very high	93.2	Very high	16 Å²	16	42.8 Å²	42.8	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-48.7	178.3	-64.1	0	0	0	0	111.6	I79 K80 C81 Y85 W86 I87 Y164	I79-S83 WeakPolarHBondContact O-CB 3.32Å; I79-S83 PolarHBondContact O-N 2.97Å; I79-S83 PolarHBondContact O-OG 3.11Å; K80-S83 WeakPolarHBondContact O-CB 3.39Å; K80-S83 PolarHBondContact O-N 3.41Å; C81-S83 VanDerWaalsContact C-N 3.34Å; C81-S83 PolarHBondContact O-N 3.18Å; S83-Y85 VanDerWaalsContact C-N 3.34Å; S83-Y85 PolarHBondContact O-N 2.83Å; S83-W86 PolarHBondContact O-N 3.16Å; S83-I87 VanDerWaalsContact O-CG1 3.22Å; S83-I87 WeakPolarHBondContact O-CG1 3.31Å; S83-I87 PolarHBondContact O-N 3.32Å; S83-Y164 WeakPolarHBondContact CB-OH 3.45Å
84	E	94.3	Very high	94.3	Very high	43 Å²	43	36.1 Å²	36.1	20%	0.201	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-40	178	-68.5	178.9	163.9	0	0	112.2	K80 C81 A88 Y130 L133	K80-E84 WeakPolarHBondContact CE-OE1 3.2Å; K80-E84 HydrophobicContact CG-CG 4.38Å; K80-E84 IonicContact NZ-OE1 2.93Å; K80-E84 WeakPolarHBondContact O-CG 3.25Å; K80-E84 PolarHBondContact O-N 3.42Å; C81-E84 PolarHBondContact O-N 3.36Å; E84-A88 PolarHBondContact O-N 3.05Å; E84-A88 VanDerWaalsContact O-N 3.14Å; E84-Y130 HydrophobicContact CB-CD1 3.74Å; E84-Y130 HydrophobicContact CB-CE1 3.83Å; E84-Y130 HydrophobicContact CB-CG 4.22Å; E84-Y130 HydrophobicContact CG-CD1 3.93Å; E84-Y130 HydrophobicContact CG-CE1 3.46Å; E84-Y130 VanDerWaalsContact CG-CE1 3.46Å; E84-L133 HydrophobicContact CB-CD1 3.47Å; E84-L133 VanDerWaalsContact CB-CD1 3.47Å; E84-L133 HydrophobicContact CG-CD1 4.48Å
85	Y	93.8	Very high	94.6	Very high	24 Å²	24	34.7 Å²	34.7	9%	0.094	17%	0.167	C	C	.	.	H	α-helix	trans	-57.2	-52	171.6	169.6	-95.1	0	0	0	111.9	C81 K82 S83 A88 N89 L133 L139	C81-Y85 WeakPolarHBondContact O-CB 3.45Å; C81-Y85 PolarHBondContact O-N 3.4Å; K82-Y85 PolarHBondContact O-N 3.02Å; S83-Y85 VanDerWaalsContact C-N 3.34Å; S83-Y85 PolarHBondContact O-N 2.83Å; Y85-A88 WeakPolarHBondContact O-CB 3.34Å; Y85-A88 PolarHBondContact O-N 3.05Å; Y85-N89 PolarHBondContact O-N 3.19Å; Y85-N89 VanDerWaalsContact O-N 3.07Å; Y85-N89 PolarHBondContact OH-ND2 3.11Å; Y85-L133 VanDerWaalsContact CD2-O 3.27Å; Y85-L133 WeakPolarHBondContact CD2-O 3.48Å; Y85-L139 HydrophobicContact CD1-CD1 3.91Å; Y85-L139 HydrophobicContact CD2-CB 4.01Å; Y85-L139 HydrophobicContact CD2-CD1 4.49Å; Y85-L139 HydrophobicContact CE1-CD1 4.03Å; Y85-L139 HydrophobicContact CE1-CD2 4.19Å; Y85-L139 HydrophobicContact CE2-CB 3.85Å; Y85-L139 HydrophobicContact CG-CD1 4.17Å
86	W	95	Very high	94.8	Very high	35 Å²	35	38.7 Å²	38.7	13%	0.133	19%	0.188	C	C	.	.	H	α-helix	trans	-70.3	-33.9	-176.9	-74.3	119.5	0	0	0	112.5	K82 S83 A88 N89 R90 F161 Y164	K82-W86 PolarHBondContact O-N 3.2Å; S83-W86 PolarHBondContact O-N 3.16Å; W86-A88 PolarHBondContact O-N 3.44Å; W86-N89 HydrophobicContact CE3-CB 4.27Å; W86-N89 PolarHBondContact O-N 3.21Å; W86-R90 WeakPolarHBondContact O-CB 3.25Å; W86-R90 WeakPolarHBondContact O-CG 3.39Å; W86-R90 PolarHBondContact O-N 2.93Å; W86-F161 HydrophobicContact CD2-CD2 4.02Å; W86-F161 AromaticContact CE2-CD2 3.67Å; W86-F161 HydrophobicContact CE3-CD2 4.03Å; W86-F161 HydrophobicContact CE3-CE2 4.37Å; W86-F161 AromaticContact CH2-CD2 3.43Å; W86-F161 HydrophobicContact CH2-CD2 3.43Å; W86-F161 VanDerWaalsContact CH2-CD2 3.43Å; W86-F161 AromaticContact CH2-CE2 3.48Å; W86-F161 HydrophobicContact CH2-CE2 3.48Å; W86-F161 VanDerWaalsContact CH2-CE2 3.48Å; W86-F161 AromaticContact CZ2-CD2 3.38Å; W86-F161 HydrophobicContact CZ2-CD2 3.38Å; W86-F161 AromaticContact CZ2-CE2 3.93Å; W86-F161 HydrophobicContact CZ2-CE2 3.93Å; W86-F161 HydrophobicContact CZ2-CG 4.37Å; W86-F161 AromaticContact CZ3-CD2 3.75Å; W86-F161 HydrophobicContact CZ3-CD2 3.75Å; W86-F161 AromaticContact CZ3-CE2 3.72Å; W86-F161 HydrophobicContact CZ3-CE2 3.72Å; W86-Y164 HydrophobicContact CB-CD2 3.71Å; W86-Y164 HydrophobicContact CB-CG 3.84Å
87	I	94.5	Very high	94.9	Very high	31 Å²	31	36.5 Å²	36.5	16%	0.159	18%	0.181	C	C	.	.	H	α-helix	trans	-54.8	-52.1	169.7	-69.9	164.4	0	0	0	110.1	S83 N89 R90 A91 K126 Y130 Y164	S83-I87 VanDerWaalsContact O-CG1 3.22Å; S83-I87 WeakPolarHBondContact O-CG1 3.31Å; S83-I87 PolarHBondContact O-N 3.32Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 3.12Å; I87-R90 PolarHBondContact O-N 2.65Å; I87-A91 WeakPolarHBondContact O-CB 3.5Å; I87-A91 PolarHBondContact O-N 2.69Å; I87-K126 HydrophobicContact CG2-CB 4.05Å; I87-K126 HydrophobicContact CG2-CG 4.44Å; I87-Y130 HydrophobicContact CB-CD2 4.15Å; I87-Y130 HydrophobicContact CB-CE2 4.39Å; I87-Y130 HydrophobicContact CD1-CE2 4.21Å; I87-Y130 HydrophobicContact CG2-CD2 3.71Å; I87-Y130 HydrophobicContact CG2-CE2 3.89Å; I87-Y164 HydrophobicContact CB-CE1 4.42Å; I87-Y164 HydrophobicContact CD1-CE1 3.8Å; I87-Y164 HydrophobicContact CG1-CD1 3.69Å; I87-Y164 HydrophobicContact CG1-CE1 3.12Å; I87-Y164 HydrophobicContact CG1-CE2 4.42Å
88	A	91.7	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-46.9	-177.8	0	0	0	0	0	111.6	E84 Y85 W86 T92 Y130 R134	E84-A88 PolarHBondContact O-N 3.05Å; E84-A88 VanDerWaalsContact O-N 3.14Å; Y85-A88 WeakPolarHBondContact O-CB 3.34Å; Y85-A88 PolarHBondContact O-N 3.05Å; W86-A88 PolarHBondContact O-N 3.44Å; A88-T92 PolarHBondContact O-N 2.89Å; A88-T92 PolarHBondContact O-OG1 2.9Å; A88-Y130 WeakPolarHBondContact CB-O 3.16Å; A88-R134 HydrophobicContact CB-CB 4.29Å
89	N	92.6	Very high	95.1	Very high	32 Å²	32	35.8 Å²	35.8	17%	0.171	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-50.1	-177.3	-165.5	-54.4	0	0	0	110.5	Y85 W86 I87 T92 Q93	Y85-N89 PolarHBondContact O-N 3.19Å; Y85-N89 VanDerWaalsContact O-N 3.07Å; Y85-N89 PolarHBondContact OH-ND2 3.11Å; W86-N89 HydrophobicContact CE3-CB 4.27Å; W86-N89 PolarHBondContact O-N 3.21Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 3.12Å; N89-T92 VanDerWaalsContact O-CB 3.31Å; N89-T92 WeakPolarHBondContact O-CB 3.31Å; N89-T92 PolarHBondContact O-N 2.87Å; N89-Q93 WeakPolarHBondContact O-CG 3.29Å; N89-Q93 PolarHBondContact O-N 3.27Å; N89-Q93 VanDerWaalsContact O-N 3.11Å
90	R	95.7	Very high	95	Very high	38 Å²	38	39.4 Å²	39.4	14%	0.143	20%	0.197	C	C	.	.	H	α-helix	trans	-70.9	-39.5	-175	-64.8	-71.8	175.5	-162.8	0	112.7	W86 I87 T92 Q93 A94 Y164 I165 E168	W86-R90 WeakPolarHBondContact O-CB 3.25Å; W86-R90 WeakPolarHBondContact O-CG 3.39Å; W86-R90 PolarHBondContact O-N 2.93Å; I87-R90 PolarHBondContact O-N 2.65Å; R90-T92 VanDerWaalsContact C-N 3.25Å; R90-T92 PolarHBondContact O-N 3.44Å; R90-Q93 PolarHBondContact O-N 3.47Å; R90-Q93 VanDerWaalsContact O-N 3.1Å; R90-A94 PolarHBondContact O-N 3.01Å; R90-Y164 WeakPolarHBondContact CB-O 3.46Å; R90-Y164 WeakPolarHBondContact CD-O 3.5Å; R90-Y164 WeakPolarHBondContact CG-O 3.47Å; R90-I165 VanDerWaalsContact NH2-CG1 3.28Å; R90-E168 HydrophobicContact CB-CB 4.12Å; R90-E168 WeakPolarHBondContact CD-OE2 3.32Å; R90-E168 IonicContact CZ-OE2 2.59Å; R90-E168 IonicContact NE-OE2 2.65Å; R90-E168 IonicContact NH1-OE2 2.71Å; R90-E168 PolarHBondContact NH1-OE2 3.38Å
91	A	95.8	Very high	95	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-37.6	171.5	0	0	0	0	0	111.8	I87 A94 L95 I123 K126 A127	I87-A91 WeakPolarHBondContact O-CB 3.5Å; I87-A91 PolarHBondContact O-N 2.69Å; A91-A94 PolarHBondContact O-N 3.2Å; A91-L95 WeakPolarHBondContact O-CG 3.48Å; A91-L95 PolarHBondContact O-N 2.99Å; A91-I123 HydrophobicContact CB-CG2 4.17Å; A91-K126 HydrophobicContact CB-CB 3.83Å; A91-A127 HydrophobicContact CB-CB 3.94Å
92	T	94.4	Very high	95	Very high	28 Å²	28	36.3 Å²	36.3	17%	0.172	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-43.5	174.1	-54.7	0	0	0	0	111.5	A88 N89 R90 L95 L96 R134	A88-T92 PolarHBondContact O-N 2.89Å; A88-T92 PolarHBondContact O-OG1 2.9Å; N89-T92 VanDerWaalsContact O-CB 3.31Å; N89-T92 WeakPolarHBondContact O-CB 3.31Å; N89-T92 PolarHBondContact O-N 2.87Å; R90-T92 VanDerWaalsContact C-N 3.25Å; R90-T92 PolarHBondContact O-N 3.44Å; T92-L95 PolarHBondContact O-N 2.91Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å; T92-L96 PolarHBondContact O-N 2.71Å; T92-R134 PolarHBondContact OG1-NH1 2.97Å
93	Q	95.4	Very high	94.9	Very high	80 Å²	80	42.2 Å²	42.2	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-65.2	-44.1	177.6	-61	-55.4	-28.5	0	0	111.8	N89 R90 L95 L96 A97 E168	N89-Q93 WeakPolarHBondContact O-CG 3.29Å; N89-Q93 PolarHBondContact O-N 3.27Å; N89-Q93 VanDerWaalsContact O-N 3.11Å; R90-Q93 PolarHBondContact O-N 3.47Å; R90-Q93 VanDerWaalsContact O-N 3.1Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.4Å; Q93-L96 WeakPolarHBondContact O-CB 3.38Å; Q93-L96 PolarHBondContact O-N 3.17Å; Q93-L96 VanDerWaalsContact O-N 3.11Å; Q93-A97 PolarHBondContact O-N 3.36Å; Q93-E168 HydrophobicContact CB-CG 4.34Å; Q93-E168 VanDerWaalsContact CB-OE1 3.29Å; Q93-E168 WeakPolarHBondContact CB-OE1 3.17Å
94	A	96.8	Very high	94.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-44.2	175.1	0	0	0	0	0	111.4	R90 A91 L96 A97 I98 I123 E168 D171 M172	R90-A94 PolarHBondContact O-N 3.01Å; A91-A94 PolarHBondContact O-N 3.2Å; A94-L96 VanDerWaalsContact C-N 3.35Å; A94-L96 PolarHBondContact O-N 3.41Å; A94-A97 PolarHBondContact O-N 3.12Å; A94-I98 WeakPolarHBondContact O-CB 3.45Å; A94-I98 VanDerWaalsContact O-CG1 3.25Å; A94-I98 WeakPolarHBondContact O-CG1 3.36Å; A94-I98 PolarHBondContact O-N 3.42Å; A94-I123 HydrophobicContact CB-CG2 4.2Å; A94-E168 HydrophobicContact CB-CG 4.09Å; A94-D171 HydrophobicContact CB-CB 4.28Å; A94-M172 HydrophobicContact CB-CG 4.23Å
95	L	96.4	Very high	94.7	Very high	31 Å²	31	45.5 Å²	45.5	16%	0.162	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-40.3	176.2	-72.4	168.4	0	0	0	112.8	A91 T92 Q93 I98 Q99 I123 I124 A127	A91-L95 WeakPolarHBondContact O-CG 3.48Å; A91-L95 PolarHBondContact O-N 2.99Å; T92-L95 PolarHBondContact O-N 2.91Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.4Å; L95-I98 PolarHBondContact O-N 2.97Å; L95-Q99 WeakPolarHBondContact O-CG 3.08Å; L95-Q99 PolarHBondContact O-N 3.42Å; L95-I123 HydrophobicContact CD1-CG2 4.38Å; L95-I123 HydrophobicContact CD2-CB 4Å; L95-I123 HydrophobicContact CD2-CG2 3.88Å; L95-I123 HydrophobicContact CG-CB 4.37Å; L95-I123 HydrophobicContact CG-CG2 3.71Å; L95-I124 HydrophobicContact CD1-CG1 4.08Å; L95-I124 HydrophobicContact CD2-CG1 3.75Å; L95-A127 HydrophobicContact CD1-CB 3.99Å
96	L	96.1	Very high	94.5	Very high	85 Å²	85	49 Å²	49	45%	0.445	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-40.8	175.9	-69.1	172.2	0	0	0	111.8	T92 Q93 A94 Q99 N100	T92-L96 WeakPolarHBondContact O-CG 3.49Å; T92-L96 PolarHBondContact O-N 2.71Å; Q93-L96 WeakPolarHBondContact O-CB 3.38Å; Q93-L96 PolarHBondContact O-N 3.17Å; Q93-L96 VanDerWaalsContact O-N 3.11Å; A94-L96 VanDerWaalsContact C-N 3.35Å; A94-L96 PolarHBondContact O-N 3.41Å; L96-Q99 PolarHBondContact O-N 3.16Å; L96-N100 PolarHBondContact O-ND2 3.45Å
97	A	95.9	Very high	94.4	Very high	28 Å²	28	51 Å²	51	23%	0.231	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-43.5	175.3	0	0	0	0	0	111.6	Q93 A94 Q99 N100 L101 M172	Q93-A97 PolarHBondContact O-N 3.36Å; A94-A97 PolarHBondContact O-N 3.12Å; A97-Q99 VanDerWaalsContact C-N 3.29Å; A97-Q99 PolarHBondContact O-N 3.27Å; A97-N100 WeakPolarHBondContact O-CA 3.21Å; A97-N100 WeakPolarHBondContact O-CB 3.35Å; A97-N100 PolarHBondContact O-N 3.1Å; A97-L101 PolarHBondContact O-N 3.47Å; A97-M172 HydrophobicContact CB-CG 4.36Å; A97-M172 HydrophobicContact CB-SD 3.36Å; A97-M172 WeakPolarHBondContact CB-SD 3.17Å
98	I	96.3	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-38.2	176.4	-75.1	167.6	0	0	0	111.7	A94 L95 N100 L101 K102 E120 I123 F175	A94-I98 WeakPolarHBondContact O-CB 3.45Å; A94-I98 VanDerWaalsContact O-CG1 3.25Å; A94-I98 WeakPolarHBondContact O-CG1 3.36Å; A94-I98 PolarHBondContact O-N 3.42Å; L95-I98 PolarHBondContact O-N 2.97Å; I98-N100 PolarHBondContact O-N 2.8Å; I98-L101 PolarHBondContact O-N 2.96Å; I98-K102 HydrophobicContact CG2-CD 3.96Å; I98-K102 HydrophobicContact CG2-CG 4.33Å; I98-K102 WeakPolarHBondContact O-CB 3.22Å; I98-K102 VanDerWaalsContact O-CG 3.3Å; I98-K102 WeakPolarHBondContact O-CG 3.39Å; I98-K102 PolarHBondContact O-N 3.07Å; I98-E120 HydrophobicContact CG2-CG 4.08Å; I98-E120 WeakPolarHBondContact CG2-OE1 3.47Å; I98-I123 HydrophobicContact CD1-CD1 3.26Å; I98-F175 HydrophobicContact CD1-CB 3.89Å; I98-F175 HydrophobicContact CD1-CD2 4.04Å; I98-F175 HydrophobicContact CD1-CG 3.9Å; I98-F175 HydrophobicContact CG1-CB 4.2Å; I98-F175 HydrophobicContact CG1-CD1 4.03Å; I98-F175 HydrophobicContact CG1-CD2 4.25Å; I98-F175 HydrophobicContact CG1-CG 3.89Å; I98-F175 HydrophobicContact CG2-CD1 4.23Å; I98-F175 HydrophobicContact CG2-CD2 3.83Å; I98-F175 HydrophobicContact CG2-CE1 3.97Å; I98-F175 HydrophobicContact CG2-CE2 3.52Å; I98-F175 HydrophobicContact CG2-CG 4.17Å; I98-F175 HydrophobicContact CG2-CZ 3.6Å
99	Q	95.9	Very high	94.1	Very high	100 Å²	100	53.7 Å²	53.7	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-33.6	173.7	-73.8	175.3	-4.5	0	0	113.1	L95 L96 A97 K103	L95-Q99 WeakPolarHBondContact O-CG 3.08Å; L95-Q99 PolarHBondContact O-N 3.42Å; L96-Q99 PolarHBondContact O-N 3.16Å; A97-Q99 VanDerWaalsContact C-N 3.29Å; A97-Q99 PolarHBondContact O-N 3.27Å; Q99-K103 WeakPolarHBondContact O-CG 3.45Å; Q99-K103 PolarHBondContact O-N 3.11Å
100	N	94.8	Very high	93.9	Very high	100 Å²	100	56.3 Å²	56.3	54%	0.535	29%	0.288	S	S	.	.	H	α-helix	trans	-76.1	-42.2	175.7	-65.4	-38.7	0	0	0	111.4	L96 A97 I98 K102 K103 Y104	L96-N100 PolarHBondContact O-ND2 3.45Å; A97-N100 WeakPolarHBondContact O-CA 3.21Å; A97-N100 WeakPolarHBondContact O-CB 3.35Å; A97-N100 PolarHBondContact O-N 3.1Å; I98-N100 PolarHBondContact O-N 2.8Å; N100-K102 VanDerWaalsContact C-N 3.29Å; N100-K102 PolarHBondContact O-N 2.86Å; N100-K103 PolarHBondContact O-N 3.38Å; N100-Y104 PolarHBondContact O-N 3.14Å
101	L	94.1	Very high	93.3	Very high	40 Å²	40	63.1 Å²	63.1	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-41.4	174.5	-68.7	171.7	0	0	0	111.6	A97 I98 K103 Y104 Y105 F175 I176	A97-L101 PolarHBondContact O-N 3.47Å; I98-L101 PolarHBondContact O-N 2.96Å; L101-K103 PolarHBondContact O-N 3.3Å; L101-Y104 WeakPolarHBondContact O-CB 3.44Å; L101-Y104 PolarHBondContact O-N 3.47Å; L101-Y105 HydrophobicContact CB-CD2 4.42Å; L101-Y105 HydrophobicContact CB-CE2 4.34Å; L101-Y105 HydrophobicContact CD2-CE2 4.44Å; L101-Y105 WeakPolarHBondContact O-CD2 3.24Å; L101-Y105 PolarHBondContact O-N 3.45Å; L101-F175 HydrophobicContact CB-CE1 4.36Å; L101-F175 HydrophobicContact CD1-CD1 4.47Å; L101-I176 HydrophobicContact CD1-CD1 3.91Å; L101-I176 HydrophobicContact CD1-CG1 3.91Å; L101-I176 HydrophobicContact CD2-CD1 4.4Å
102	K	93.7	Very high	92.8	Very high	42 Å²	42	64.9 Å²	64.9	18%	0.183	33%	0.331	C	S	.	.	H	α-helix	trans	-55.9	-50.2	174.6	-77.3	169.8	63.2	173	0	112.2	I98 N100 Y104 Y105 Q106 F116 E120 F175	I98-K102 HydrophobicContact CG2-CD 3.96Å; I98-K102 HydrophobicContact CG2-CG 4.33Å; I98-K102 WeakPolarHBondContact O-CB 3.22Å; I98-K102 VanDerWaalsContact O-CG 3.3Å; I98-K102 WeakPolarHBondContact O-CG 3.39Å; I98-K102 PolarHBondContact O-N 3.07Å; N100-K102 VanDerWaalsContact C-N 3.29Å; N100-K102 PolarHBondContact O-N 2.86Å; K102-Y104 VanDerWaalsContact C-N 3.28Å; K102-Y104 PolarHBondContact O-N 2.9Å; K102-Y105 PolarHBondContact O-N 2.87Å; K102-Q106 VanDerWaalsContact O-CB 3.24Å; K102-Q106 WeakPolarHBondContact O-CB 2.96Å; K102-Q106 WeakPolarHBondContact O-CG 3.47Å; K102-Q106 PolarHBondContact O-N 3.34Å; K102-F116 HydrophobicContact CB-CZ 4.4Å; K102-F116 HydrophobicContact CD-CB 4.07Å; K102-F116 HydrophobicContact CD-CD1 4.06Å; K102-F116 HydrophobicContact CD-CD2 4.14Å; K102-F116 HydrophobicContact CD-CG 3.82Å; K102-F116 VanDerWaalsContact CE-CD2 3.48Å; K102-F116 HydrophobicContact CG-CD1 3.76Å; K102-F116 HydrophobicContact CG-CD2 4.13Å; K102-F116 HydrophobicContact CG-CE1 3.76Å; K102-F116 HydrophobicContact CG-CE2 4.13Å; K102-F116 HydrophobicContact CG-CG 3.92Å; K102-F116 HydrophobicContact CG-CZ 3.95Å; K102-E120 WeakPolarHBondContact CD-OE1 3.46Å; K102-E120 WeakPolarHBondContact CE-OE1 3.38Å; K102-E120 VanDerWaalsContact NZ-CD 3.26Å; K102-E120 IonicContact NZ-OE1 3.11Å; K102-E120 PolarHBondContact NZ-OE1 3.41Å; K102-E120 IonicContact NZ-OE2 2.84Å; K102-E120 PolarHBondContact NZ-OE2 3.17Å; K102-E120 VanDerWaalsContact NZ-OE2 3.11Å; K102-F175 HydrophobicContact CD-CZ 4.3Å; K102-F175 HydrophobicContact CG-CZ 3.83Å
103	K	93.8	Very high	92.2	Very high	132 Å²	132	73.4 Å²	73.4	57%	0.574	37%	0.366	S	S	*	.	H	α-helix	trans	-61.5	-40.8	178.4	-67.4	169.8	-171.1	167	0	111.2	Q99 N100 L101 A107	Q99-K103 WeakPolarHBondContact O-CG 3.45Å; Q99-K103 PolarHBondContact O-N 3.11Å; N100-K103 PolarHBondContact O-N 3.38Å; L101-K103 PolarHBondContact O-N 3.3Å; K103-A107 WeakPolarHBondContact O-CB 3.45Å; K103-A107 PolarHBondContact O-N 2.84Å
104	Y	93.8	Very high	91.4	Very high	123 Å²	123	71.5 Å²	71.5	48%	0.482	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-54.4	177	170.5	-102.8	0	0	0	111.4	N100 L101 K102 Q106 A107 K108	N100-Y104 PolarHBondContact O-N 3.14Å; L101-Y104 WeakPolarHBondContact O-CB 3.44Å; L101-Y104 PolarHBondContact O-N 3.47Å; K102-Y104 VanDerWaalsContact C-N 3.28Å; K102-Y104 PolarHBondContact O-N 2.9Å; Y104-Q106 PolarHBondContact O-N 3.17Å; Y104-A107 PolarHBondContact O-N 3.41Å; Y104-A107 VanDerWaalsContact O-N 3.15Å; Y104-K108 HydrophobicContact CE1-CD 4.23Å; Y104-K108 PolarHBondContact O-N 3.08Å
105	Y	91.5	Very high	90.9	Very high	4 Å²	4	75.8 Å²	75.8	2%	0.016	38%	0.38	C	S	.	.	H	α-helix	trans	-70	-33	-178.5	-69.8	-60.9	0	0	0	113.5	E35 L101 K102 A107 K108 Y109 I176 F179 L180	E35-Y105 PolarHBondContact OE1-OH 3.36Å; L101-Y105 HydrophobicContact CB-CD2 4.42Å; L101-Y105 HydrophobicContact CB-CE2 4.34Å; L101-Y105 HydrophobicContact CD2-CE2 4.44Å; L101-Y105 WeakPolarHBondContact O-CD2 3.24Å; L101-Y105 PolarHBondContact O-N 3.45Å; K102-Y105 PolarHBondContact O-N 2.87Å; Y105-A107 VanDerWaalsContact C-N 3.26Å; Y105-A107 PolarHBondContact O-N 2.89Å; Y105-K108 PolarHBondContact O-N 3.1Å; Y105-Y109 HydrophobicContact CD1-CD2 4.27Å; Y105-Y109 AromaticContact CD1-CE2 3.93Å; Y105-Y109 HydrophobicContact CD1-CE2 3.93Å; Y105-Y109 PolarHBondContact O-N 3.36Å; Y105-I176 HydrophobicContact CE2-CG1 4.49Å; Y105-I176 WeakPolarHBondContact OH-CG2 3.43Å; Y105-F179 VanDerWaalsContact CB-CE1 3.45Å; Y105-F179 VanDerWaalsContact CB-CZ 3.45Å; Y105-F179 HydrophobicContact CD1-CD1 4.24Å; Y105-F179 AromaticContact CD1-CE1 3.54Å; Y105-F179 HydrophobicContact CD1-CE1 3.54Å; Y105-F179 HydrophobicContact CD1-CZ 4.35Å; Y105-F179 AromaticContact CD2-CD1 3.74Å; Y105-F179 HydrophobicContact CD2-CD1 3.74Å; Y105-F179 AromaticContact CD2-CE1 3.63Å; Y105-F179 HydrophobicContact CD2-CE1 3.63Å; Y105-F179 HydrophobicContact CD2-CZ 4.34Å; Y105-F179 HydrophobicContact CE1-CD1 4.46Å; Y105-F179 HydrophobicContact CE1-CE1 4.12Å; Y105-F179 AromaticContact CE2-CD1 3.99Å; Y105-F179 HydrophobicContact CE2-CD1 3.99Å; Y105-F179 HydrophobicContact CE2-CE1 4.2Å; Y105-F179 AromaticContact CG-CD1 3.88Å; Y105-F179 HydrophobicContact CG-CD1 3.88Å; Y105-F179 AromaticContact CG-CE1 3.26Å; Y105-F179 HydrophobicContact CG-CE1 3.26Å; Y105-F179 AromaticContact CG-CZ 3.84Å; Y105-F179 HydrophobicContact CG-CZ 3.84Å; Y105-L180 HydrophobicContact CD1-CD2 4.47Å; Y105-L180 HydrophobicContact CE1-CD2 3.87Å
106	Q	90.8	Very high	90.7	Very high	98 Å²	98	74.8 Å²	74.8	46%	0.458	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-33.9	171.4	-75.8	175.2	-31.3	0	0	112.2	K102 Y104 P110 F116	K102-Q106 VanDerWaalsContact O-CB 3.24Å; K102-Q106 WeakPolarHBondContact O-CB 2.96Å; K102-Q106 WeakPolarHBondContact O-CG 3.47Å; K102-Q106 PolarHBondContact O-N 3.34Å; Y104-Q106 PolarHBondContact O-N 3.17Å; Q106-P110 VanDerWaalsContact O-CA 3.3Å; Q106-P110 WeakPolarHBondContact O-CA 3.27Å; Q106-F116 HydrophobicContact CG-CE2 4.23Å; Q106-F116 HydrophobicContact CG-CZ 4.41Å
107	A	92.2	Very high	90.5	Very high	78 Å²	78	74.1 Å²	74.1	65%	0.645	38%	0.377	S	S	*	.	H	α-helix	trans	-76.7	-36.4	174.8	0	0	0	0	0	112.3	K103 Y104 Y105	K103-A107 WeakPolarHBondContact O-CB 3.45Å; K103-A107 PolarHBondContact O-N 2.84Å; Y104-A107 PolarHBondContact O-N 3.41Å; Y104-A107 VanDerWaalsContact O-N 3.15Å; Y105-A107 VanDerWaalsContact C-N 3.26Å; Y105-A107 PolarHBondContact O-N 2.89Å
108	K	90.4	Very high	90.3	Very high	73 Å²	73	78.7 Å²	78.7	32%	0.317	40%	0.397	S	S	.	.	H	α-helix	trans	-69.4	-37.6	177.3	-167.6	176.5	178	-161.2	0	111.8	E35 Y104 Y105 P110	E35-K108 IonicContact OE2-NZ 2.67Å; E35-K108 PolarHBondContact OE2-NZ 3.28Å; Y104-K108 HydrophobicContact CE1-CD 4.23Å; Y104-K108 PolarHBondContact O-N 3.08Å; Y105-K108 PolarHBondContact O-N 3.1Å; K108-P110 VanDerWaalsContact C-CD 3.49Å; K108-P110 WeakPolarHBondContact O-CD 3.48Å
109	Y	89.2	Confident	90.1	Very high	13 Å²	13	79.9 Å²	79.9	5%	0.051	40%	0.403	C	S	.	.	S	Bend	trans	-125.8	63.9	-176.3	-53.3	-72.3	0	0	0	112	I32 Y105 H111 V112 L183	I32-Y109 HydrophobicContact CD1-CE1 4.05Å; I32-Y109 HydrophobicContact CG1-CE1 4.49Å; I32-Y109 WeakPolarHBondContact CG1-OH 3.39Å; Y105-Y109 HydrophobicContact CD1-CD2 4.27Å; Y105-Y109 AromaticContact CD1-CE2 3.93Å; Y105-Y109 HydrophobicContact CD1-CE2 3.93Å; Y105-Y109 PolarHBondContact O-N 3.36Å; Y109-H111 PolarHBondContact O-N 2.9Å; Y109-H111 VanDerWaalsContact O-N 3.09Å; Y109-V112 PolarHBondContact O-N 2.86Å; Y109-L183 HydrophobicContact CD1-CD1 4.37Å; Y109-L183 HydrophobicContact CD1-CD2 4.07Å; Y109-L183 HydrophobicContact CD2-CD2 3.52Å; Y109-L183 HydrophobicContact CE1-CD2 3.96Å; Y109-L183 HydrophobicContact CE2-CD2 3.39Å; Y109-L183 HydrophobicContact CG-CD1 4.24Å; Y109-L183 HydrophobicContact CG-CD2 3.85Å
110	P	88.6	Confident	90.1	Very high	88 Å²	88	76.3 Å²	76.3	57%	0.571	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.9	-170	28.9	-36.8	0	0	0	114.4	Q106 K108	Q106-P110 VanDerWaalsContact O-CA 3.3Å; Q106-P110 WeakPolarHBondContact O-CA 3.27Å; K108-P110 VanDerWaalsContact C-CD 3.49Å; K108-P110 WeakPolarHBondContact O-CD 3.48Å
111	H	84.5	Confident	90.1	Very high	181 Å²	181	73.7 Å²	73.7	84%	0.838	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-16.8	-178.6	-57.7	-51.8	0	0	0	113.3	Y109	Y109-H111 PolarHBondContact O-N 2.9Å; Y109-H111 VanDerWaalsContact O-N 3.09Å
112	V	83.5	Confident	90.1	Very high	38 Å²	38	75.1 Å²	75.1	23%	0.23	39%	0.391	C	S	.	.			trans	-96.2	126.1	-176.6	-170.4	0	0	0	0	109.6	Y109 F114 L183 A186	Y109-V112 PolarHBondContact O-N 2.86Å; V112-F114 HydrophobicContact CB-CD2 4.26Å; V112-F114 HydrophobicContact CB-CE1 4.38Å; V112-F114 HydrophobicContact CB-CE2 3.45Å; V112-F114 VanDerWaalsContact CB-CE2 3.45Å; V112-F114 HydrophobicContact CB-CZ 3.55Å; V112-F114 HydrophobicContact CG1-CD1 4.14Å; V112-F114 HydrophobicContact CG1-CD2 4.12Å; V112-F114 HydrophobicContact CG1-CE1 3.49Å; V112-F114 VanDerWaalsContact CG1-CE1 3.49Å; V112-F114 HydrophobicContact CG1-CE2 3.47Å; V112-F114 VanDerWaalsContact CG1-CE2 3.47Å; V112-F114 HydrophobicContact CG1-CG 4.44Å; V112-F114 HydrophobicContact CG1-CZ 3.13Å; V112-F114 HydrophobicContact CG2-CZ 4.44Å; V112-F114 WeakPolarHBondContact O-CD2 3.5Å; V112-L183 HydrophobicContact CB-CD1 4.26Å; V112-L183 HydrophobicContact CG1-CD1 4.21Å; V112-L183 HydrophobicContact CG2-CD1 3.8Å; V112-A186 HydrophobicContact CG1-CB 4.5Å
113	K	82.7	Confident	90.1	Very high	207 Å²	207	73.5 Å²	73.5	90%	0.9	38%	0.384	S	S	*	.			trans	-92.3	123.3	176.1	-71.2	-175.4	-179.3	177.7	0	109.5
114	F	79.2	Confident	90.1	Very high	41 Å²	41	70 Å²	70	18%	0.18	37%	0.371	C	S	.	.			trans	-117.1	142.9	-178.3	-62.3	-78.4	0	0	0	112.3	V112 F116 F179 L183	V112-F114 HydrophobicContact CB-CD2 4.26Å; V112-F114 HydrophobicContact CB-CE1 4.38Å; V112-F114 HydrophobicContact CB-CE2 3.45Å; V112-F114 VanDerWaalsContact CB-CE2 3.45Å; V112-F114 HydrophobicContact CB-CZ 3.55Å; V112-F114 HydrophobicContact CG1-CD1 4.14Å; V112-F114 HydrophobicContact CG1-CD2 4.12Å; V112-F114 HydrophobicContact CG1-CE1 3.49Å; V112-F114 VanDerWaalsContact CG1-CE1 3.49Å; V112-F114 HydrophobicContact CG1-CE2 3.47Å; V112-F114 VanDerWaalsContact CG1-CE2 3.47Å; V112-F114 HydrophobicContact CG1-CG 4.44Å; V112-F114 HydrophobicContact CG1-CZ 3.13Å; V112-F114 HydrophobicContact CG2-CZ 4.44Å; V112-F114 WeakPolarHBondContact O-CD2 3.5Å; F114-F116 HydrophobicContact CB-CD2 4.2Å; F114-F116 HydrophobicContact CB-CE1 4.32Å; F114-F116 HydrophobicContact CB-CE2 3.71Å; F114-F116 HydrophobicContact CB-CZ 3.79Å; F114-F116 HydrophobicContact CD2-CZ 4.34Å; F114-F116 HydrophobicContact CG-CZ 4.26Å; F114-F179 HydrophobicContact CB-CE2 4.47Å; F114-F179 HydrophobicContact CD1-CD2 4.2Å; F114-F179 AromaticContact CD1-CE2 3.65Å; F114-F179 HydrophobicContact CD1-CE2 3.65Å; F114-F179 AromaticContact CD2-CE2 3.7Å; F114-F179 HydrophobicContact CD2-CE2 3.7Å; F114-F179 HydrophobicContact CD2-CZ 4.23Å; F114-F179 HydrophobicContact CE1-CD2 4.27Å; F114-F179 AromaticContact CE1-CE2 3.57Å; F114-F179 HydrophobicContact CE1-CE2 3.57Å; F114-F179 HydrophobicContact CE1-CZ 4.09Å; F114-F179 AromaticContact CE2-CE2 3.6Å; F114-F179 HydrophobicContact CE2-CE2 3.6Å; F114-F179 AromaticContact CE2-CZ 3.71Å; F114-F179 HydrophobicContact CE2-CZ 3.71Å; F114-F179 HydrophobicContact CG-CD2 4.45Å; F114-F179 AromaticContact CG-CE2 3.68Å; F114-F179 HydrophobicContact CG-CE2 3.68Å; F114-F179 AromaticContact CZ-CE2 3.5Å; F114-F179 HydrophobicContact CZ-CE2 3.5Å; F114-F179 AromaticContact CZ-CZ 3.6Å; F114-F179 HydrophobicContact CZ-CZ 3.6Å; F114-L183 HydrophobicContact CE1-CB 3.96Å; F114-L183 HydrophobicContact CE1-CD1 4.35Å; F114-L183 HydrophobicContact CZ-CB 3.9Å; F114-L183 HydrophobicContact CZ-CD1 3.61Å; F114-L183 HydrophobicContact CZ-CG 4.2Å
115	D	86.7	Confident	90.2	Very high	89 Å²	89	69 Å²	69	48%	0.476	37%	0.37	S	S	.	.			trans	-102.7	100.1	164.9	-176.9	10.9	0	0	0	109.8	S117	D115-S117 PolarHBondContact O-N 3.31Å; D115-S117 WeakPolarHBondContact OD1-CB 3.49Å; D115-S117 PolarHBondContact OD1-N 3Å; D115-S117 PolarHBondContact OD1-OG 2.88Å
116	F	91	Very high	90.2	Very high	11 Å²	11	72 Å²	72	5%	0.048	38%	0.383	C	S	.	.			trans	-76.6	-10.6	177.9	-63.5	-77.9	0	0	0	113.1	K102 Q106 F114 N118 L119 E120 F175 F179	K102-F116 HydrophobicContact CB-CZ 4.4Å; K102-F116 HydrophobicContact CD-CB 4.07Å; K102-F116 HydrophobicContact CD-CD1 4.06Å; K102-F116 HydrophobicContact CD-CD2 4.14Å; K102-F116 HydrophobicContact CD-CG 3.82Å; K102-F116 VanDerWaalsContact CE-CD2 3.48Å; K102-F116 HydrophobicContact CG-CD1 3.76Å; K102-F116 HydrophobicContact CG-CD2 4.13Å; K102-F116 HydrophobicContact CG-CE1 3.76Å; K102-F116 HydrophobicContact CG-CE2 4.13Å; K102-F116 HydrophobicContact CG-CG 3.92Å; K102-F116 HydrophobicContact CG-CZ 3.95Å; Q106-F116 HydrophobicContact CG-CE2 4.23Å; Q106-F116 HydrophobicContact CG-CZ 4.41Å; F114-F116 HydrophobicContact CB-CD2 4.2Å; F114-F116 HydrophobicContact CB-CE1 4.32Å; F114-F116 HydrophobicContact CB-CE2 3.71Å; F114-F116 HydrophobicContact CB-CZ 3.79Å; F114-F116 HydrophobicContact CD2-CZ 4.34Å; F114-F116 HydrophobicContact CG-CZ 4.26Å; F116-N118 VanDerWaalsContact C-N 3.31Å; F116-N118 PolarHBondContact O-N 3.43Å; F116-L119 HydrophobicContact CD1-CD1 4.37Å; F116-L119 PolarHBondContact O-N 3.25Å; F116-L119 VanDerWaalsContact O-N 3.07Å; F116-E120 HydrophobicContact CB-CG 4.47Å; F116-E120 WeakPolarHBondContact O-CG 3.27Å; F116-E120 PolarHBondContact O-N 3.05Å; F116-F175 AromaticContact CD1-CE2 3.84Å; F116-F175 HydrophobicContact CD1-CE2 3.84Å; F116-F175 AromaticContact CD1-CZ 3.5Å; F116-F175 HydrophobicContact CD1-CZ 3.5Å; F116-F175 AromaticContact CE1-CZ 3.81Å; F116-F175 HydrophobicContact CE1-CZ 3.81Å; F116-F179 HydrophobicContact CD1-CD2 4.36Å; F116-F179 AromaticContact CE1-CD2 3.47Å; F116-F179 HydrophobicContact CE1-CD2 3.47Å; F116-F179 VanDerWaalsContact CE1-CD2 3.47Å; F116-F179 AromaticContact CE1-CE2 3.66Å; F116-F179 HydrophobicContact CE1-CE2 3.66Å; F116-F179 HydrophobicContact CE1-CG 4.4Å; F116-F179 HydrophobicContact CZ-CD2 4.13Å; F116-F179 AromaticContact CZ-CE2 3.83Å; F116-F179 HydrophobicContact CZ-CE2 3.83Å
117	S	91.7	Very high	90.2	Very high	71 Å²	71	67.8 Å²	67.8	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-42.2	-171.1	-45.1	0	0	0	0	111.6	D115 L119 E120 A121	D115-S117 PolarHBondContact O-N 3.31Å; D115-S117 WeakPolarHBondContact OD1-CB 3.49Å; D115-S117 PolarHBondContact OD1-N 3Å; D115-S117 PolarHBondContact OD1-OG 2.88Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-E120 PolarHBondContact O-N 3.39Å; S117-A121 WeakPolarHBondContact O-CB 2.94Å; S117-A121 PolarHBondContact O-N 3.43Å
118	N	92	Very high	90.2	Very high	123 Å²	123	70.2 Å²	70.2	66%	0.658	36%	0.364	S	S	*	.	H	α-helix	trans	-70.3	-31.4	178.7	-66	-30.9	0	0	0	112.7	F116	F116-N118 VanDerWaalsContact C-N 3.31Å; F116-N118 PolarHBondContact O-N 3.43Å
119	L	93.2	Very high	90.1	Very high	25 Å²	25	74 Å²	74	13%	0.131	38%	0.376	C	S	.	.	H	α-helix	trans	-74.3	-36.5	178.3	-64.2	-178.5	0	0	0	111.8	F116 S117 F175 S178 F179	F116-L119 HydrophobicContact CD1-CD1 4.37Å; F116-L119 PolarHBondContact O-N 3.25Å; F116-L119 VanDerWaalsContact O-N 3.07Å; S117-L119 VanDerWaalsContact C-N 3.34Å; L119-F175 HydrophobicContact CB-CD2 3.84Å; L119-F175 HydrophobicContact CB-CE2 3.87Å; L119-F175 HydrophobicContact CD1-CE2 4.21Å; L119-S178 VanDerWaalsContact CD2-CB 3.48Å; L119-F179 HydrophobicContact CD1-CB 4.06Å
120	E	94.3	Very high	89.8	Confident	25 Å²	25	75.4 Å²	75.4	12%	0.117	38%	0.381	C	S	.	.	H	α-helix	trans	-82.3	-27.1	-178.7	-68.4	175.8	154.8	0	0	112.8	I98 K102 F116 S117 P122 I123 I124 F175	I98-E120 HydrophobicContact CG2-CG 4.08Å; I98-E120 WeakPolarHBondContact CG2-OE1 3.47Å; K102-E120 WeakPolarHBondContact CD-OE1 3.46Å; K102-E120 WeakPolarHBondContact CE-OE1 3.38Å; K102-E120 VanDerWaalsContact NZ-CD 3.26Å; K102-E120 IonicContact NZ-OE1 3.11Å; K102-E120 PolarHBondContact NZ-OE1 3.41Å; K102-E120 IonicContact NZ-OE2 2.84Å; K102-E120 PolarHBondContact NZ-OE2 3.17Å; K102-E120 VanDerWaalsContact NZ-OE2 3.11Å; F116-E120 HydrophobicContact CB-CG 4.47Å; F116-E120 WeakPolarHBondContact O-CG 3.27Å; F116-E120 PolarHBondContact O-N 3.05Å; S117-E120 PolarHBondContact O-N 3.39Å; E120-P122 VanDerWaalsContact C-CD 3.49Å; E120-I123 PolarHBondContact O-N 3.02Å; E120-I124 HydrophobicContact CB-CD1 3.87Å; E120-I124 HydrophobicContact CB-CG1 4.32Å; E120-I124 WeakPolarHBondContact O-CG1 3.2Å; E120-I124 PolarHBondContact O-N 3.48Å; E120-F175 HydrophobicContact CG-CE2 4.16Å
121	A	95.3	Very high	89.5	Confident	46 Å²	46	76.4 Å²	76.4	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-50.3	-45.8	-171.8	0	0	0	0	0	114.5	S117 I123 I124 E125	S117-A121 WeakPolarHBondContact O-CB 2.94Å; S117-A121 PolarHBondContact O-N 3.43Å; A121-I123 VanDerWaalsContact C-N 3.27Å; A121-I123 PolarHBondContact O-N 3.07Å; A121-I124 PolarHBondContact O-N 3Å; A121-E125 WeakPolarHBondContact O-CB 3.22Å; A121-E125 PolarHBondContact O-N 3.13Å
122	P	93.6	Very high	89.3	Confident	70 Å²	70	74.9 Å²	74.9	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-62.5	-33.4	178.4	-22.5	34.5	0	0	0	113.4	E120 K126	E120-P122 VanDerWaalsContact C-CD 3.49Å; P122-K126 WeakPolarHBondContact O-CG 3.37Å; P122-K126 PolarHBondContact O-N 3.4Å
123	I	94.1	Very high	89.1	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.036	38%	0.377	C	S	.	.	H	α-helix	trans	-79.3	-39.8	-178.5	-51.1	172.3	0	0	0	109.8	A91 A94 L95 I98 E120 A121 E125 K126 A127 D171	A91-I123 HydrophobicContact CB-CG2 4.17Å; A94-I123 HydrophobicContact CB-CG2 4.2Å; L95-I123 HydrophobicContact CD1-CG2 4.38Å; L95-I123 HydrophobicContact CD2-CB 4Å; L95-I123 HydrophobicContact CD2-CG2 3.88Å; L95-I123 HydrophobicContact CG-CB 4.37Å; L95-I123 HydrophobicContact CG-CG2 3.71Å; I98-I123 HydrophobicContact CD1-CD1 3.26Å; E120-I123 PolarHBondContact O-N 3.02Å; A121-I123 VanDerWaalsContact C-N 3.27Å; A121-I123 PolarHBondContact O-N 3.07Å; I123-E125 VanDerWaalsContact C-N 3.32Å; I123-E125 PolarHBondContact O-N 3.26Å; I123-K126 PolarHBondContact O-N 3.31Å; I123-A127 PolarHBondContact O-N 3.01Å; I123-D171 HydrophobicContact CD1-CB 4.03Å; I123-D171 HydrophobicContact CG1-CB 4.24Å
124	I	94.8	Very high	88.8	Confident	58 Å²	58	69.9 Å²	69.9	30%	0.297	35%	0.351	S	S	.	.	H	α-helix	trans	-57.1	-48	171.5	-66.7	171.9	0	0	0	109.9	L95 E120 A121 K126 A127 E128	L95-I124 HydrophobicContact CD1-CG1 4.08Å; L95-I124 HydrophobicContact CD2-CG1 3.75Å; E120-I124 HydrophobicContact CB-CD1 3.87Å; E120-I124 HydrophobicContact CB-CG1 4.32Å; E120-I124 WeakPolarHBondContact O-CG1 3.2Å; E120-I124 PolarHBondContact O-N 3.48Å; A121-I124 PolarHBondContact O-N 3Å; I124-K126 VanDerWaalsContact C-N 3.32Å; I124-K126 PolarHBondContact O-N 3.48Å; I124-A127 PolarHBondContact O-N 3.16Å; I124-A127 VanDerWaalsContact O-N 3.1Å; I124-E128 HydrophobicContact CG2-CG 4.12Å; I124-E128 WeakPolarHBondContact CG2-OE1 3.08Å; I124-E128 WeakPolarHBondContact O-CG 3.05Å; I124-E128 PolarHBondContact O-N 2.92Å
125	E	94.3	Very high	88.8	Confident	102 Å²	102	71 Å²	71	48%	0.477	36%	0.364	S	S	.	.	H	α-helix	trans	-58.3	-42.9	179.3	-170.3	-171	164	0	0	112	A121 I123 R129	A121-E125 WeakPolarHBondContact O-CB 3.22Å; A121-E125 PolarHBondContact O-N 3.13Å; I123-E125 VanDerWaalsContact C-N 3.32Å; I123-E125 PolarHBondContact O-N 3.26Å; E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 PolarHBondContact O-N 3Å; E125-R129 IonicContact OE1-CZ 3.49Å; E125-R129 IonicContact OE1-NH2 2.93Å; E125-R129 PolarHBondContact OE1-NH2 3.49Å
126	K	91.8	Very high	88.3	Confident	67 Å²	67	75.3 Å²	75.3	29%	0.291	38%	0.381	S	S	.	.	H	α-helix	trans	-61	-44.1	175.4	-71.4	173.9	-172.5	180	0	112	I87 A91 P122 I123 I124 D171	I87-K126 HydrophobicContact CG2-CB 4.05Å; I87-K126 HydrophobicContact CG2-CG 4.44Å; A91-K126 HydrophobicContact CB-CB 3.83Å; P122-K126 WeakPolarHBondContact O-CG 3.37Å; P122-K126 PolarHBondContact O-N 3.4Å; I123-K126 PolarHBondContact O-N 3.31Å; I124-K126 VanDerWaalsContact C-N 3.32Å; I124-K126 PolarHBondContact O-N 3.48Å; K126-D171 IonicContact NZ-OD1 3.86Å; K126-D171 PolarHBondContact NZ-OD1 3.19Å; K126-D171 IonicContact NZ-OD2 3.78Å; K126-D171 PolarHBondContact NZ-OD2 3.26Å
127	A	91.7	Very high	87.8	Confident	10 Å²	10	76 Å²	76	8%	0.083	39%	0.391	C	S	.	.	H	α-helix	trans	-66.6	-43.1	-179.4	0	0	0	0	0	111.9	A91 L95 I123 I124 E131	A91-A127 HydrophobicContact CB-CB 3.94Å; L95-A127 HydrophobicContact CD1-CB 3.99Å; I123-A127 PolarHBondContact O-N 3.01Å; I124-A127 PolarHBondContact O-N 3.16Å; I124-A127 VanDerWaalsContact O-N 3.1Å; A127-E131 PolarHBondContact O-N 3.17Å
128	E	92.3	Very high	87.3	Confident	130 Å²	130	72.8 Å²	72.8	61%	0.607	37%	0.369	S	S	*	.	H	α-helix	trans	-70.7	-42.8	-179.5	-71.1	-178.8	168.3	0	0	112.2	I124 Y130 E131	I124-E128 HydrophobicContact CG2-CG 4.12Å; I124-E128 WeakPolarHBondContact CG2-OE1 3.08Å; I124-E128 WeakPolarHBondContact O-CG 3.05Å; I124-E128 PolarHBondContact O-N 2.92Å; E128-Y130 PolarHBondContact O-N 3.46Å; E128-E131 WeakPolarHBondContact O-CB 3.24Å; E128-E131 PolarHBondContact O-N 3.22Å; E128-E131 VanDerWaalsContact O-N 3.16Å
129	R	88.7	Confident	86.9	Confident	151 Å²	151	68.8 Å²	68.8	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-54.4	-33.2	-176.9	-176.8	-177.4	-66.1	-166.8	0.6	113	E125	E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 PolarHBondContact O-N 3Å; E125-R129 IonicContact OE1-CZ 3.49Å; E125-R129 IonicContact OE1-NH2 2.93Å; E125-R129 PolarHBondContact OE1-NH2 3.49Å
130	Y	82.5	Confident	86.6	Confident	43 Å²	43	74.8 Å²	74.8	17%	0.169	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	19.1	-174.8	-57.7	-63.5	0	0	0	112.8	E84 I87 A88 E128 N132 L133 R134	E84-Y130 HydrophobicContact CB-CD1 3.74Å; E84-Y130 HydrophobicContact CB-CE1 3.83Å; E84-Y130 HydrophobicContact CB-CG 4.22Å; E84-Y130 HydrophobicContact CG-CD1 3.93Å; E84-Y130 HydrophobicContact CG-CE1 3.46Å; E84-Y130 VanDerWaalsContact CG-CE1 3.46Å; I87-Y130 HydrophobicContact CB-CD2 4.15Å; I87-Y130 HydrophobicContact CB-CE2 4.39Å; I87-Y130 HydrophobicContact CD1-CE2 4.21Å; I87-Y130 HydrophobicContact CG2-CD2 3.71Å; I87-Y130 HydrophobicContact CG2-CE2 3.89Å; A88-Y130 WeakPolarHBondContact CB-O 3.16Å; E128-Y130 PolarHBondContact O-N 3.46Å; Y130-N132 VanDerWaalsContact C-N 3.26Å; Y130-N132 PolarHBondContact O-N 2.84Å; Y130-L133 HydrophobicContact CD1-CD1 4.04Å; Y130-L133 WeakPolarHBondContact O-CB 3.49Å; Y130-L133 PolarHBondContact O-N 3.45Å; Y130-R134 PolarHBondContact O-N 2.9Å
131	E	82.2	Confident	86.2	Confident	109 Å²	109	77.8 Å²	77.8	51%	0.509	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-54.7	-41.4	-176.8	-177	172.9	-156.2	0	0	112.4	A127 E128 L133 R134	A127-E131 PolarHBondContact O-N 3.17Å; E128-E131 WeakPolarHBondContact O-CB 3.24Å; E128-E131 PolarHBondContact O-N 3.22Å; E128-E131 VanDerWaalsContact O-N 3.16Å; E131-L133 PolarHBondContact O-N 2.99Å; E131-R134 VanDerWaalsContact O-CB 3.32Å; E131-R134 WeakPolarHBondContact O-CB 3.28Å; E131-R134 PolarHBondContact O-N 3.45Å; E131-R134 VanDerWaalsContact O-N 3.12Å; E131-R134 IonicContact OE1-NH2 3.76Å
132	N	79.3	Confident	86	Confident	150 Å²	150	75.6 Å²	75.6	80%	0.802	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-62.6	-29.9	179.1	-69.2	-33.3	0	0	0	113.2	Y130 S135	Y130-N132 VanDerWaalsContact C-N 3.26Å; Y130-N132 PolarHBondContact O-N 2.84Å; N132-S135 PolarHBondContact O-OG 2.03Å
133	L	80.3	Confident	85.7	Confident	43 Å²	43	76.7 Å²	76.7	23%	0.225	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-78.3	-22	178.9	-69	173.7	0	0	0	112.1	E84 Y85 Y130 E131 S135	E84-L133 HydrophobicContact CB-CD1 3.47Å; E84-L133 VanDerWaalsContact CB-CD1 3.47Å; E84-L133 HydrophobicContact CG-CD1 4.48Å; Y85-L133 VanDerWaalsContact CD2-O 3.27Å; Y85-L133 WeakPolarHBondContact CD2-O 3.48Å; Y130-L133 HydrophobicContact CD1-CD1 4.04Å; Y130-L133 WeakPolarHBondContact O-CB 3.49Å; Y130-L133 PolarHBondContact O-N 3.45Å; E131-L133 PolarHBondContact O-N 2.99Å; L133-S135 PolarHBondContact O-N 3.46Å
134	R	75.9	Confident	85.4	Confident	96 Å²	96	82.6 Å²	82.6	36%	0.362	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-63	-12.3	-177.8	-162.5	175.9	64.6	-168	-7.9	114	A88 T92 Y130 E131	A88-R134 HydrophobicContact CB-CB 4.29Å; T92-R134 PolarHBondContact OG1-NH1 2.97Å; Y130-R134 PolarHBondContact O-N 2.9Å; E131-R134 VanDerWaalsContact O-CB 3.32Å; E131-R134 WeakPolarHBondContact O-CB 3.28Å; E131-R134 PolarHBondContact O-N 3.45Å; E131-R134 VanDerWaalsContact O-N 3.12Å; E131-R134 IonicContact OE1-NH2 3.76Å
135	S	79.6	Confident	85.1	Confident	64 Å²	64	81.8 Å²	81.8	45%	0.448	39%	0.392	S	S	.	.	S	Bend	trans	-70.2	152.4	176.1	68	0	0	0	0	112.3	N132 L133 G137 G138 L139	N132-S135 PolarHBondContact O-OG 2.03Å; L133-S135 PolarHBondContact O-N 3.46Å; S135-G137 PolarHBondContact O-N 3.2Å; S135-G137 VanDerWaalsContact O-N 3.13Å; S135-G138 WeakPolarHBondContact O-CA 3.18Å; S135-G138 PolarHBondContact O-N 3.5Å; S135-G138 PolarHBondContact OG-N 3.42Å; S135-G138 VanDerWaalsContact OG-N 3.16Å; S135-L139 PolarHBondContact O-N 3.43Å
136	E	75.3	Confident	84.8	Confident	180 Å²	180	77.7 Å²	77.7	84%	0.841	37%	0.373	S	S	*	.	H	α-helix	trans	-53.6	-32.7	170.3	-68.9	179.8	175.7	0	0	111.9	L139 R140	E136-L139 PolarHBondContact O-N 3.45Å; E136-R140 WeakPolarHBondContact O-CB 3.34Å; E136-R140 PolarHBondContact O-N 2.91Å
137	G	80.6	Confident	84.2	Confident	25 Å²	25	78.2 Å²	78.2	26%	0.258	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-39.6	174	0	0	0	0	0	113.1	S135 R140 N141	S135-G137 PolarHBondContact O-N 3.2Å; S135-G137 VanDerWaalsContact O-N 3.13Å; G137-R140 PolarHBondContact O-N 3.09Å; G137-N141 PolarHBondContact O-N 3.36Å; G137-N141 PolarHBondContact O-ND2 3.46Å; G137-N141 PolarHBondContact O-OD1 3.27Å
138	G	81	Confident	83.8	Confident	4 Å²	4	84.5 Å²	84.5	4%	0.041	41%	0.411	C	S	.	.	H	α-helix	trans	-61.8	-48.1	175.2	0	0	0	0	0	111.9	S135 R140 N141 C142	S135-G138 WeakPolarHBondContact O-CA 3.18Å; S135-G138 PolarHBondContact O-N 3.5Å; S135-G138 PolarHBondContact OG-N 3.42Å; S135-G138 VanDerWaalsContact OG-N 3.16Å; G138-R140 PolarHBondContact O-N 3.11Å; G138-N141 PolarHBondContact O-N 3.07Å; G138-C142 PolarHBondContact O-N 3.49Å; G138-C142 PolarHBondContact O-SG 3.11Å
139	L	85.1	Confident	83.3	Confident	40 Å²	40	85.1 Å²	85.1	21%	0.209	41%	0.414	C	S	.	.	H	α-helix	trans	-62.5	-43.3	177	-177.4	60.6	0	0	0	112.5	K82 Y85 S135 E136 N141 C142 I143	K82-L139 HydrophobicContact CD-CD1 3.83Å; Y85-L139 HydrophobicContact CD1-CD1 3.91Å; Y85-L139 HydrophobicContact CD2-CB 4.01Å; Y85-L139 HydrophobicContact CD2-CD1 4.49Å; Y85-L139 HydrophobicContact CE1-CD1 4.03Å; Y85-L139 HydrophobicContact CE1-CD2 4.19Å; Y85-L139 HydrophobicContact CE2-CB 3.85Å; Y85-L139 HydrophobicContact CG-CD1 4.17Å; S135-L139 PolarHBondContact O-N 3.43Å; E136-L139 PolarHBondContact O-N 3.45Å; L139-N141 VanDerWaalsContact C-N 3.32Å; L139-N141 PolarHBondContact O-N 3.38Å; L139-C142 WeakPolarHBondContact O-CB 3.44Å; L139-C142 PolarHBondContact O-N 3.11Å; L139-C142 VanDerWaalsContact O-N 3.13Å; L139-I143 HydrophobicContact CG-CD1 4.42Å; L139-I143 PolarHBondContact O-N 3.11Å
140	R	85.6	Confident	83.4	Confident	150 Å²	150	80.4 Å²	80.4	57%	0.566	40%	0.402	S	S	*	.	H	α-helix	trans	-60.1	-43.2	177.1	-177.1	-179.1	61.5	-175.8	-2.6	111.5	E136 G137 G138 C142 I143 E144	E136-R140 WeakPolarHBondContact O-CB 3.34Å; E136-R140 PolarHBondContact O-N 2.91Å; G137-R140 PolarHBondContact O-N 3.09Å; G138-R140 PolarHBondContact O-N 3.11Å; R140-C142 PolarHBondContact O-N 2.85Å; R140-I143 PolarHBondContact O-N 3.26Å; R140-I143 VanDerWaalsContact O-N 3.1Å; R140-E144 PolarHBondContact O-N 2.95Å; R140-E144 VanDerWaalsContact O-N 3.1Å
141	N	86.7	Confident	83.9	Confident	89 Å²	89	82 Å²	82	48%	0.476	42%	0.424	S	S	.	.	H	α-helix	trans	-60.4	-35.3	176.8	-66.5	-9.2	0	0	0	111.6	G137 G138 L139	G137-N141 PolarHBondContact O-N 3.36Å; G137-N141 PolarHBondContact O-ND2 3.46Å; G137-N141 PolarHBondContact O-OD1 3.27Å; G138-N141 PolarHBondContact O-N 3.07Å; L139-N141 VanDerWaalsContact C-N 3.32Å; L139-N141 PolarHBondContact O-N 3.38Å
142	C	90.4	Very high	84.4	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-63.9	-43.8	174.2	-53.4	0	0	0	0	111.9	F78 C81 K82 G138 L139 R140 E144 L145	F78-C142 WeakPolarHBondContact CD2-O 3.2Å; C81-C142 HydrophobicContact CB-CB 3.68Å; C81-C142 WeakPolarHBondContact CB-SG 3.47Å; C81-C142 PolarHBondContact O-SG 2.93Å; C81-C142 WeakPolarHBondContact SG-CA 3.29Å; C81-C142 WeakPolarHBondContact SG-CB 3.47Å; C81-C142 CovalentContact SG-SG 2.03Å; C81-C142 PolarHBondContact SG-SG 3.2Å; K82-C142 HydrophobicContact CD-CB 4.18Å; K82-C142 HydrophobicContact CG-CB 4.19Å; G138-C142 PolarHBondContact O-N 3.49Å; G138-C142 PolarHBondContact O-SG 3.11Å; L139-C142 WeakPolarHBondContact O-CB 3.44Å; L139-C142 PolarHBondContact O-N 3.11Å; L139-C142 VanDerWaalsContact O-N 3.13Å; R140-C142 PolarHBondContact O-N 2.85Å; C142-E144 VanDerWaalsContact C-N 3.31Å; C142-E144 PolarHBondContact O-N 2.69Å; C142-L145 VanDerWaalsContact O-CB 3.29Å; C142-L145 WeakPolarHBondContact O-CB 3.27Å; C142-L145 PolarHBondContact O-N 2.98Å
143	I	87.3	Confident	85	Confident	92 Å²	92	71.4 Å²	71.4	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-63.1	-39.6	-178.8	-65.2	166.8	0	0	0	110.9	L139 R140 L145 I146	L139-I143 HydrophobicContact CG-CD1 4.42Å; L139-I143 PolarHBondContact O-N 3.11Å; R140-I143 PolarHBondContact O-N 3.26Å; R140-I143 VanDerWaalsContact O-N 3.1Å; I143-L145 PolarHBondContact O-N 2.93Å; I143-L145 VanDerWaalsContact O-N 3.14Å; I143-I146 PolarHBondContact O-N 2.59Å
144	E	88.7	Confident	85.7	Confident	132 Å²	132	72.5 Å²	72.5	62%	0.617	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.3	179.1	-70	175.5	-173.3	0	0	113.9	R140 C142 I146	R140-E144 PolarHBondContact O-N 2.95Å; R140-E144 VanDerWaalsContact O-N 3.1Å; C142-E144 VanDerWaalsContact C-N 3.31Å; C142-E144 PolarHBondContact O-N 2.69Å; E144-I146 VanDerWaalsContact C-N 3.29Å; E144-I146 PolarHBondContact O-N 3.39Å
145	L	88.8	Confident	86.7	Confident	40 Å²	40	71.1 Å²	71.1	21%	0.209	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.3	176.2	-65.7	169.3	0	0	0	112.6	N74 E77 F78 C81 C142 I143	N74-L145 HydrophobicContact CB-CB 4.33Å; N74-L145 WeakPolarHBondContact CB-O 3.4Å; N74-L145 PolarHBondContact ND2-O 3.23Å; N74-L145 VanDerWaalsContact ND2-O 3.07Å; E77-L145 HydrophobicContact CB-CD1 3.99Å; E77-L145 HydrophobicContact CB-CD2 4.41Å; F78-L145 HydrophobicContact CB-CB 4.34Å; C81-L145 HydrophobicContact CB-CD1 3.89Å; C142-L145 VanDerWaalsContact O-CB 3.29Å; C142-L145 WeakPolarHBondContact O-CB 3.27Å; C142-L145 PolarHBondContact O-N 2.98Å; I143-L145 PolarHBondContact O-N 2.93Å; I143-L145 VanDerWaalsContact O-N 3.14Å
146	I	87.1	Confident	87.5	Confident	17 Å²	17	68.1 Å²	68.1	9%	0.087	35%	0.353	C	S	.	.	S	Bend	trans	-103	125.3	179.9	-58.8	-56.8	0	0	0	109.7	M72 I75 F78 I143 E144 H148 V153	M72-I146 HydrophobicContact CE-CG2 4.27Å; M72-I146 HydrophobicContact SD-CD1 4.36Å; M72-I146 HydrophobicContact SD-CG2 4Å; I75-I146 HydrophobicContact CD1-CD1 4.08Å; F78-I146 HydrophobicContact CB-CD1 3.66Å; F78-I146 HydrophobicContact CB-CG1 3.71Å; F78-I146 HydrophobicContact CD1-CG1 4.26Å; F78-I146 HydrophobicContact CD2-CD1 4.45Å; F78-I146 HydrophobicContact CD2-CG1 3.55Å; F78-I146 HydrophobicContact CE2-CG1 4.21Å; F78-I146 HydrophobicContact CG-CD1 4.02Å; F78-I146 HydrophobicContact CG-CG1 3.57Å; I143-I146 PolarHBondContact O-N 2.59Å; E144-I146 VanDerWaalsContact C-N 3.29Å; E144-I146 PolarHBondContact O-N 3.39Å; I146-H148 VanDerWaalsContact C-N 3.34Å; I146-H148 WeakPolarHBondContact CG2-O 3.45Å; I146-H148 PolarHBondContact O-N 3.2Å; I146-V153 HydrophobicContact CG1-CG1 4.45Å; I146-V153 HydrophobicContact CG2-CG1 4.31Å; I146-V153 HydrophobicContact CG2-CG2 4.26Å
147	P	80	Confident	88.4	Confident	78 Å²	78	61.3 Å²	61.3	51%	0.506	32%	0.323	S	S	.	.	S	Bend	trans	-68	-33.5	-177.1	25.5	-33.3	0	0	0	113	G71	G71-P147 WeakPolarHBondContact O-CG 3.5Å
148	H	81.6	Confident	89.2	Confident	141 Å²	141	65.8 Å²	65.8	65%	0.653	34%	0.337	S	S	*	.	S	Bend	trans	-142.9	129.6	-177.5	-56.4	-49.5	0	0	0	111.5	I146 T150	I146-H148 VanDerWaalsContact C-N 3.34Å; I146-H148 WeakPolarHBondContact CG2-O 3.45Å; I146-H148 PolarHBondContact O-N 3.2Å; H148-T150 PolarHBondContact O-N 3.45Å
149	E	83.3	Confident	90	Very high	143 Å²	143	67.9 Å²	67.9	67%	0.668	35%	0.345	S	S	*	.			trans	-77.9	100.6	176.7	-171.4	172.8	-137.8	0	0	110	I154	E149-I154 HydrophobicContact CG-CD1 3.9Å; E149-I154 HydrophobicContact CG-CG1 3.39Å
150	T	89.7	Confident	90.7	Very high	53 Å²	53	66 Å²	66	33%	0.325	34%	0.335	S	S	.	.			trans	-89.4	163.8	174.5	68.6	0	0	0	0	110.5	M72 H148 D152 V153 I154	M72-T150 HydrophobicContact CE-CG2 3.64Å; H148-T150 PolarHBondContact O-N 3.45Å; T150-D152 PolarHBondContact O-N 3.47Å; T150-V153 PolarHBondContact O-N 2.9Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.29Å; T150-V153 PolarHBondContact OG1-N 3.29Å; T150-I154 WeakPolarHBondContact O-CG1 3.07Å; T150-I154 PolarHBondContact O-N 3.43Å
151	A	92.7	Very high	91.2	Very high	77 Å²	77	62.7 Å²	62.7	64%	0.636	33%	0.325	S	S	*	.	H	α-helix	trans	-55.3	-38.6	176.5	0	0	0	0	0	112.8	I154 Q155	A151-I154 PolarHBondContact O-N 2.92Å; A151-Q155 WeakPolarHBondContact O-CB 3.43Å; A151-Q155 PolarHBondContact O-N 3.31Å
152	D	92.8	Very high	91.7	Very high	32 Å²	32	60.9 Å²	60.9	17%	0.171	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-35.6	177.7	-65.7	-32.8	0	0	0	111.7	L60 K63 I64 T150 Q155 I156	L60-D152 HydrophobicContact CD2-CB 4.47Å; K63-D152 VanDerWaalsContact CE-OD2 3.24Å; K63-D152 WeakPolarHBondContact CE-OD2 3.36Å; K63-D152 VanDerWaalsContact NZ-CG 3.31Å; K63-D152 IonicContact NZ-OD1 2.7Å; K63-D152 PolarHBondContact NZ-OD1 3.38Å; K63-D152 IonicContact NZ-OD2 3.14Å; K63-D152 PolarHBondContact NZ-OD2 3.43Å; K63-D152 VanDerWaalsContact NZ-OD2 3.14Å; I64-D152 HydrophobicContact CD1-CB 3.78Å; I64-D152 HydrophobicContact CG1-CB 3.69Å; T150-D152 PolarHBondContact O-N 3.47Å; D152-Q155 PolarHBondContact O-N 3.12Å; D152-I156 WeakPolarHBondContact O-CG1 3.42Å; D152-I156 PolarHBondContact O-N 3.45Å
153	V	93	Very high	92.1	Very high	3 Å²	3	62 Å²	62	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-68	-41.8	175.3	171.5	0	0	0	0	111.3	I64 M72 I75 F78 I146 T150 Q155 I156 D157	I64-V153 HydrophobicContact CD1-CG2 3.92Å; M72-V153 HydrophobicContact CE-CG2 3.96Å; M72-V153 HydrophobicContact SD-CG2 4.24Å; I75-V153 HydrophobicContact CD1-CG2 4.37Å; F78-V153 HydrophobicContact CE1-CG1 4.12Å; F78-V153 HydrophobicContact CZ-CG1 4.07Å; I146-V153 HydrophobicContact CG1-CG1 4.45Å; I146-V153 HydrophobicContact CG2-CG1 4.31Å; I146-V153 HydrophobicContact CG2-CG2 4.26Å; T150-V153 PolarHBondContact O-N 2.9Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.29Å; T150-V153 PolarHBondContact OG1-N 3.29Å; V153-Q155 VanDerWaalsContact C-N 3.31Å; V153-Q155 PolarHBondContact O-N 3.47Å; V153-I156 PolarHBondContact O-N 2.97Å; V153-D157 PolarHBondContact O-N 3.1Å
154	I	94.5	Very high	92.6	Very high	67 Å²	67	58.6 Å²	58.6	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-58.7	-47.7	174.8	-65.2	170.5	0	0	0	109.6	E149 T150 A151 I156 D157 E158	E149-I154 HydrophobicContact CG-CD1 3.9Å; E149-I154 HydrophobicContact CG-CG1 3.39Å; T150-I154 WeakPolarHBondContact O-CG1 3.07Å; T150-I154 PolarHBondContact O-N 3.43Å; A151-I154 PolarHBondContact O-N 2.92Å; I154-I156 VanDerWaalsContact C-N 3.3Å; I154-I156 PolarHBondContact O-N 2.89Å; I154-D157 PolarHBondContact O-N 2.98Å; I154-D157 VanDerWaalsContact O-N 3.08Å; I154-E158 HydrophobicContact CG2-CG 4.45Å; I154-E158 WeakPolarHBondContact O-CG 3.37Å; I154-E158 PolarHBondContact O-N 3.36Å
155	Q	96.3	Very high	93.1	Very high	67 Å²	67	54.3 Å²	54.3	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-36.7	-179.8	-165.5	-177.3	-8.2	0	0	111.9	E56 L60 A151 D152 V153 E158 Q159	E56-Q155 PolarHBondContact OE1-NE2 3.02Å; L60-Q155 HydrophobicContact CD1-CB 3.89Å; L60-Q155 HydrophobicContact CD1-CG 3.66Å; A151-Q155 WeakPolarHBondContact O-CB 3.43Å; A151-Q155 PolarHBondContact O-N 3.31Å; D152-Q155 PolarHBondContact O-N 3.12Å; V153-Q155 VanDerWaalsContact C-N 3.31Å; V153-Q155 PolarHBondContact O-N 3.47Å; Q155-E158 PolarHBondContact O-N 3.13Å; Q155-Q159 VanDerWaalsContact O-CG 3.3Å; Q155-Q159 WeakPolarHBondContact O-CG 3.43Å; Q155-Q159 PolarHBondContact O-N 3.14Å
156	I	96.3	Very high	93.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-46.7	171.3	-74.4	173.4	0	0	0	111	I57 L60 R61 I64 I75 F78 I79 D152 V153 I154 E158 Q159 I160	I57-I156 HydrophobicContact CG2-CG2 4.45Å; L60-I156 HydrophobicContact CB-CD1 3.76Å; L60-I156 HydrophobicContact CB-CG1 3.51Å; L60-I156 HydrophobicContact CD1-CG1 3.82Å; L60-I156 HydrophobicContact CG-CG1 4.32Å; R61-I156 HydrophobicContact CB-CD1 4.49Å; I64-I156 HydrophobicContact CD1-CD1 3.51Å; I75-I156 HydrophobicContact CD1-CD1 4.1Å; I75-I156 HydrophobicContact CG1-CD1 4.44Å; F78-I156 HydrophobicContact CE1-CG2 4.12Å; I79-I156 HydrophobicContact CD1-CD1 4.44Å; I79-I156 HydrophobicContact CD1-CG2 4.32Å; I79-I156 HydrophobicContact CG1-CG2 3.77Å; D152-I156 WeakPolarHBondContact O-CG1 3.42Å; D152-I156 PolarHBondContact O-N 3.45Å; V153-I156 PolarHBondContact O-N 2.97Å; I154-I156 VanDerWaalsContact C-N 3.3Å; I154-I156 PolarHBondContact O-N 2.89Å; I156-E158 VanDerWaalsContact C-N 3.32Å; I156-E158 PolarHBondContact O-N 3.2Å; I156-Q159 PolarHBondContact O-N 3.45Å; I156-I160 HydrophobicContact CG2-CD1 3.7Å; I156-I160 HydrophobicContact CG2-CG1 4.26Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.38Å; I156-I160 PolarHBondContact O-N 3.1Å
157	D	95.4	Very high	94	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-41.6	179.6	-167.1	31.7	0	0	0	111.8	F78 K82 V153 I154 I160 F161	F78-D157 HydrophobicContact CZ-CB 4.26Å; K82-D157 WeakPolarHBondContact CD-OD1 3.47Å; K82-D157 WeakPolarHBondContact CE-OD1 3.47Å; K82-D157 IonicContact NZ-OD1 2.69Å; K82-D157 PolarHBondContact NZ-OD1 3.17Å; K82-D157 IonicContact NZ-OD2 3.67Å; K82-D157 PolarHBondContact NZ-OD2 3.22Å; V153-D157 PolarHBondContact O-N 3.1Å; I154-D157 PolarHBondContact O-N 2.98Å; I154-D157 VanDerWaalsContact O-N 3.08Å; D157-I160 PolarHBondContact O-N 3.32Å; D157-F161 WeakPolarHBondContact O-CB 3.38Å; D157-F161 PolarHBondContact O-N 2.89Å
158	E	97.2	Very high	94.9	Very high	119 Å²	119	51.1 Å²	51.1	56%	0.556	27%	0.266	S	S	*	.	H	α-helix	trans	-61	-43.1	173.9	-70.7	177.6	169.2	0	0	112.1	I154 Q155 I156 F161 S162	I154-E158 HydrophobicContact CG2-CG 4.45Å; I154-E158 WeakPolarHBondContact O-CG 3.37Å; I154-E158 PolarHBondContact O-N 3.36Å; Q155-E158 PolarHBondContact O-N 3.13Å; I156-E158 VanDerWaalsContact C-N 3.32Å; I156-E158 PolarHBondContact O-N 3.2Å; E158-F161 PolarHBondContact O-N 3.46Å; E158-S162 WeakPolarHBondContact O-CB 3.42Å; E158-S162 PolarHBondContact O-N 3.4Å
159	Q	98.2	Very high	95.7	Very high	47 Å²	47	49.9 Å²	49.9	22%	0.22	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-40.5	176.8	-72	-58.5	-40.5	0	0	112.3	S53 E56 I57 Q155 I156 S162 K163	S53-Q159 PolarHBondContact OG-OE1 3.43Å; S53-Q159 VanDerWaalsContact OG-OE1 3.06Å; E56-Q159 HydrophobicContact CB-CG 4.26Å; E56-Q159 HydrophobicContact CG-CG 3.83Å; I57-Q159 HydrophobicContact CD1-CB 4.04Å; I57-Q159 HydrophobicContact CG1-CB 3.55Å; Q155-Q159 VanDerWaalsContact O-CG 3.3Å; Q155-Q159 WeakPolarHBondContact O-CG 3.43Å; Q155-Q159 PolarHBondContact O-N 3.14Å; I156-Q159 PolarHBondContact O-N 3.45Å; Q159-S162 PolarHBondContact O-N 2.9Å; Q159-K163 WeakPolarHBondContact O-CB 3.42Å; Q159-K163 PolarHBondContact O-N 3.36Å
160	I	98.3	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-47.5	175	-67.3	169.2	0	0	0	109.5	I57 I79 K82 I156 D157 S162 K163 Y164	I57-I160 HydrophobicContact CD1-CG1 3.72Å; I57-I160 HydrophobicContact CG1-CG1 4.28Å; I79-I160 HydrophobicContact CB-CD1 4.32Å; I79-I160 HydrophobicContact CG1-CD1 4.28Å; I79-I160 HydrophobicContact CG2-CD1 4.15Å; K82-I160 HydrophobicContact CB-CD1 3.87Å; K82-I160 HydrophobicContact CB-CG2 4.15Å; I156-I160 HydrophobicContact CG2-CD1 3.7Å; I156-I160 HydrophobicContact CG2-CG1 4.26Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.38Å; I156-I160 PolarHBondContact O-N 3.1Å; D157-I160 PolarHBondContact O-N 3.32Å; I160-S162 PolarHBondContact O-N 2.71Å; I160-K163 PolarHBondContact O-N 2.69Å; I160-Y164 HydrophobicContact CG2-CD2 3.8Å; I160-Y164 HydrophobicContact CG2-CE2 3.95Å; I160-Y164 VanDerWaalsContact O-CD2 3.24Å; I160-Y164 WeakPolarHBondContact O-CD2 3.28Å; I160-Y164 PolarHBondContact O-N 2.86Å; I160-Y164 VanDerWaalsContact O-N 3.09Å
161	F	96.8	Very high	96.7	Very high	82 Å²	82	43 Å²	43	36%	0.36	22%	0.222	S	C	.	.	H	α-helix	trans	-58.7	-49.4	178.1	174.3	-106.8	0	0	0	112.1	W86 D157 E158 Y164 I165	W86-F161 HydrophobicContact CD2-CD2 4.02Å; W86-F161 AromaticContact CE2-CD2 3.67Å; W86-F161 HydrophobicContact CE3-CD2 4.03Å; W86-F161 HydrophobicContact CE3-CE2 4.37Å; W86-F161 AromaticContact CH2-CD2 3.43Å; W86-F161 HydrophobicContact CH2-CD2 3.43Å; W86-F161 VanDerWaalsContact CH2-CD2 3.43Å; W86-F161 AromaticContact CH2-CE2 3.48Å; W86-F161 HydrophobicContact CH2-CE2 3.48Å; W86-F161 VanDerWaalsContact CH2-CE2 3.48Å; W86-F161 AromaticContact CZ2-CD2 3.38Å; W86-F161 HydrophobicContact CZ2-CD2 3.38Å; W86-F161 AromaticContact CZ2-CE2 3.93Å; W86-F161 HydrophobicContact CZ2-CE2 3.93Å; W86-F161 HydrophobicContact CZ2-CG 4.37Å; W86-F161 AromaticContact CZ3-CD2 3.75Å; W86-F161 HydrophobicContact CZ3-CD2 3.75Å; W86-F161 AromaticContact CZ3-CE2 3.72Å; W86-F161 HydrophobicContact CZ3-CE2 3.72Å; D157-F161 WeakPolarHBondContact O-CB 3.38Å; D157-F161 PolarHBondContact O-N 2.89Å; E158-F161 PolarHBondContact O-N 3.46Å; F161-Y164 PolarHBondContact O-N 3.43Å; F161-I165 HydrophobicContact CD1-CD1 3.9Å; F161-I165 HydrophobicContact CE1-CD1 3.38Å; F161-I165 HydrophobicContact CE2-CD1 4.2Å; F161-I165 HydrophobicContact CG-CD1 4.49Å; F161-I165 HydrophobicContact CZ-CD1 3.58Å; F161-I165 HydrophobicContact CZ-CG1 4.46Å; F161-I165 PolarHBondContact O-N 2.94Å; F161-I165 VanDerWaalsContact O-N 3.11Å
162	S	97.7	Very high	96.9	Very high	50 Å²	50	40.5 Å²	40.5	35%	0.35	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-46.8	178.6	-168.3	0	0	0	0	111.5	E158 Q159 I160 Y164 I165 D166	E158-S162 WeakPolarHBondContact O-CB 3.42Å; E158-S162 PolarHBondContact O-N 3.4Å; Q159-S162 PolarHBondContact O-N 2.9Å; I160-S162 PolarHBondContact O-N 2.71Å; S162-Y164 VanDerWaalsContact C-N 3.27Å; S162-Y164 PolarHBondContact O-N 3.24Å; S162-I165 WeakPolarHBondContact O-CB 3.22Å; S162-I165 PolarHBondContact O-N 3.2Å; S162-I165 VanDerWaalsContact O-N 3.11Å; S162-D166 PolarHBondContact O-N 3.06Å
163	K	98.5	Very high	97.1	Very high	23 Å²	23	40.5 Å²	40.5	10%	0.1	20%	0.196	C	C	.	.	H	α-helix	trans	-51.5	-48.9	176.8	176.2	-175.4	175.8	178.9	0	111.1	I50 D54 I57 Q159 I160 I165 D166 V167	I50-K163 HydrophobicContact CG2-CG 4.18Å; D54-K163 WeakPolarHBondContact OD1-CE 3.2Å; D54-K163 IonicContact OD1-NZ 3.73Å; D54-K163 PolarHBondContact OD1-NZ 2.85Å; D54-K163 WeakPolarHBondContact OD2-CE 3.29Å; D54-K163 IonicContact OD2-NZ 3.97Å; D54-K163 PolarHBondContact OD2-NZ 3.07Å; I57-K163 HydrophobicContact CD1-CD 4.42Å; Q159-K163 WeakPolarHBondContact O-CB 3.42Å; Q159-K163 PolarHBondContact O-N 3.36Å; I160-K163 PolarHBondContact O-N 2.69Å; K163-I165 VanDerWaalsContact C-N 3.33Å; K163-I165 PolarHBondContact O-N 2.87Å; K163-D166 WeakPolarHBondContact O-CB 3.5Å; K163-D166 PolarHBondContact O-N 3.02Å; K163-D166 VanDerWaalsContact O-N 3.11Å; K163-V167 HydrophobicContact CG-CG2 4.48Å; K163-V167 WeakPolarHBondContact O-CG2 3.34Å; K163-V167 PolarHBondContact O-N 3Å
164	Y	98.1	Very high	97.3	Very high	22 Å²	22	42.2 Å²	42.2	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-79.4	-16	-174.9	-74.9	-66.5	0	0	0	113.8	S83 W86 I87 R90 I160 F161 S162 V167 E168	S83-Y164 WeakPolarHBondContact CB-OH 3.45Å; W86-Y164 HydrophobicContact CB-CD2 3.71Å; W86-Y164 HydrophobicContact CB-CG 3.84Å; I87-Y164 HydrophobicContact CB-CE1 4.42Å; I87-Y164 HydrophobicContact CD1-CE1 3.8Å; I87-Y164 HydrophobicContact CG1-CD1 3.69Å; I87-Y164 HydrophobicContact CG1-CE1 3.12Å; I87-Y164 HydrophobicContact CG1-CE2 4.42Å; R90-Y164 WeakPolarHBondContact CB-O 3.46Å; R90-Y164 WeakPolarHBondContact CD-O 3.5Å; R90-Y164 WeakPolarHBondContact CG-O 3.47Å; I160-Y164 HydrophobicContact CG2-CD2 3.8Å; I160-Y164 HydrophobicContact CG2-CE2 3.95Å; I160-Y164 VanDerWaalsContact O-CD2 3.24Å; I160-Y164 WeakPolarHBondContact O-CD2 3.28Å; I160-Y164 PolarHBondContact O-N 2.86Å; I160-Y164 VanDerWaalsContact O-N 3.09Å; F161-Y164 PolarHBondContact O-N 3.43Å; S162-Y164 VanDerWaalsContact C-N 3.27Å; S162-Y164 PolarHBondContact O-N 3.24Å; Y164-V167 HydrophobicContact CD1-CB 3.97Å; Y164-V167 HydrophobicContact CD1-CG1 4.25Å; Y164-V167 HydrophobicContact CD1-CG2 3.83Å; Y164-V167 HydrophobicContact CE1-CG2 4.15Å; Y164-E168 PolarHBondContact O-N 2.89Å; Y164-E168 VanDerWaalsContact O-N 3.1Å
165	I	98	Very high	97.4	Very high	42 Å²	42	39.2 Å²	39.2	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-48.7	160	-71.8	169.3	0	0	0	109.7	R90 F161 S162 K163 V167 E168 Y169	R90-I165 VanDerWaalsContact NH2-CG1 3.28Å; F161-I165 HydrophobicContact CD1-CD1 3.9Å; F161-I165 HydrophobicContact CE1-CD1 3.38Å; F161-I165 HydrophobicContact CE2-CD1 4.2Å; F161-I165 HydrophobicContact CG-CD1 4.49Å; F161-I165 HydrophobicContact CZ-CD1 3.58Å; F161-I165 HydrophobicContact CZ-CG1 4.46Å; F161-I165 PolarHBondContact O-N 2.94Å; F161-I165 VanDerWaalsContact O-N 3.11Å; S162-I165 WeakPolarHBondContact O-CB 3.22Å; S162-I165 PolarHBondContact O-N 3.2Å; S162-I165 VanDerWaalsContact O-N 3.11Å; K163-I165 VanDerWaalsContact C-N 3.33Å; K163-I165 PolarHBondContact O-N 2.87Å; I165-V167 VanDerWaalsContact C-N 3.27Å; I165-V167 PolarHBondContact O-N 2.78Å; I165-E168 WeakPolarHBondContact O-CB 3.47Å; I165-E168 PolarHBondContact O-N 3.47Å; I165-E168 VanDerWaalsContact O-N 3.08Å; I165-Y169 HydrophobicContact CG2-CD2 3.85Å; I165-Y169 HydrophobicContact CG2-CE2 3.5Å; I165-Y169 VanDerWaalsContact CG2-CE2 3.5Å; I165-Y169 WeakPolarHBondContact O-CD2 3.46Å; I165-Y169 PolarHBondContact O-N 3.47Å; I165-Y169 VanDerWaalsContact O-N 3.17Å
166	D	98.5	Very high	97.4	Very high	19 Å²	19	36.9 Å²	36.9	10%	0.102	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-33.7	178.7	-67.7	-45.1	0	0	0	111.8	L46 I50 S162 K163 Y169 L170	L46-D166 HydrophobicContact CD2-CB 4.17Å; I50-D166 HydrophobicContact CD1-CB 4.38Å; I50-D166 HydrophobicContact CG1-CB 3.82Å; S162-D166 PolarHBondContact O-N 3.06Å; K163-D166 WeakPolarHBondContact O-CB 3.5Å; K163-D166 PolarHBondContact O-N 3.02Å; K163-D166 VanDerWaalsContact O-N 3.11Å; D166-Y169 PolarHBondContact O-N 2.87Å; D166-L170 WeakPolarHBondContact O-CB 3.37Å; D166-L170 PolarHBondContact O-N 3.28Å
167	V	98.2	Very high	97.4	Very high	24 Å²	24	38.6 Å²	38.6	15%	0.145	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-37.9	171.6	174.1	0	0	0	0	112.1	I50 K163 Y164 I165 L170 D171	I50-V167 HydrophobicContact CD1-CG2 3.71Å; I50-V167 HydrophobicContact CG1-CG2 4.06Å; K163-V167 HydrophobicContact CG-CG2 4.48Å; K163-V167 WeakPolarHBondContact O-CG2 3.34Å; K163-V167 PolarHBondContact O-N 3Å; Y164-V167 HydrophobicContact CD1-CB 3.97Å; Y164-V167 HydrophobicContact CD1-CG1 4.25Å; Y164-V167 HydrophobicContact CD1-CG2 3.83Å; Y164-V167 HydrophobicContact CE1-CG2 4.15Å; I165-V167 VanDerWaalsContact C-N 3.27Å; I165-V167 PolarHBondContact O-N 2.78Å; V167-L170 PolarHBondContact O-N 2.62Å; V167-D171 PolarHBondContact O-N 2.98Å
168	E	97.6	Very high	97.4	Very high	24 Å²	24	38.9 Å²	38.9	11%	0.112	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-49.3	173.8	-170.5	-175	152.6	0	0	110.7	R90 Q93 A94 Y164 I165 L170 D171 M172	R90-E168 HydrophobicContact CB-CB 4.12Å; R90-E168 WeakPolarHBondContact CD-OE2 3.32Å; R90-E168 IonicContact CZ-OE2 2.59Å; R90-E168 IonicContact NE-OE2 2.65Å; R90-E168 IonicContact NH1-OE2 2.71Å; R90-E168 PolarHBondContact NH1-OE2 3.38Å; Q93-E168 HydrophobicContact CB-CG 4.34Å; Q93-E168 VanDerWaalsContact CB-OE1 3.29Å; Q93-E168 WeakPolarHBondContact CB-OE1 3.17Å; A94-E168 HydrophobicContact CB-CG 4.09Å; Y164-E168 PolarHBondContact O-N 2.89Å; Y164-E168 VanDerWaalsContact O-N 3.1Å; I165-E168 WeakPolarHBondContact O-CB 3.47Å; I165-E168 PolarHBondContact O-N 3.47Å; I165-E168 VanDerWaalsContact O-N 3.08Å; E168-L170 VanDerWaalsContact C-N 3.34Å; E168-D171 PolarHBondContact O-N 3.01Å; E168-M172 HydrophobicContact CG-CE 4.47Å; E168-M172 WeakPolarHBondContact O-CG 3.35Å; E168-M172 PolarHBondContact O-N 2.79Å; E168-M172 VanDerWaalsContact O-N 3.12Å
169	Y	98.1	Very high	97.3	Very high	116 Å²	116	33.2 Å²	33.2	46%	0.455	17%	0.168	S	C	.	.	H	α-helix	trans	-63.9	-39.7	176.5	-71.6	-70.9	0	0	0	112.1	I165 D166 D171 M172 E173	I165-Y169 HydrophobicContact CG2-CD2 3.85Å; I165-Y169 HydrophobicContact CG2-CE2 3.5Å; I165-Y169 VanDerWaalsContact CG2-CE2 3.5Å; I165-Y169 WeakPolarHBondContact O-CD2 3.46Å; I165-Y169 PolarHBondContact O-N 3.47Å; I165-Y169 VanDerWaalsContact O-N 3.17Å; D166-Y169 PolarHBondContact O-N 2.87Å; Y169-D171 VanDerWaalsContact C-N 3.32Å; Y169-D171 PolarHBondContact O-N 3.45Å; Y169-M172 HydrophobicContact CD1-CE 3.27Å; Y169-M172 HydrophobicContact CE1-CE 3.68Å; Y169-M172 HydrophobicContact CG-CE 3.98Å; Y169-M172 PolarHBondContact O-N 2.92Å; Y169-E173 WeakPolarHBondContact O-CG 3.48Å; Y169-E173 PolarHBondContact O-N 2.94Å
170	L	98	Very high	97.1	Very high	40 Å²	40	31 Å²	31	21%	0.209	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-41.2	178.1	-175.4	145.9	0	0	0	111.3	L43 L46 I50 D166 V167 E168 M172 S174	L43-L170 HydrophobicContact CD2-CG 4.11Å; L46-L170 HydrophobicContact CB-CB 4.21Å; L46-L170 HydrophobicContact CB-CD1 4.24Å; L46-L170 HydrophobicContact CD1-CB 4.3Å; I50-L170 HydrophobicContact CD1-CB 4.26Å; I50-L170 HydrophobicContact CD1-CD1 3.66Å; D166-L170 WeakPolarHBondContact O-CB 3.37Å; D166-L170 PolarHBondContact O-N 3.28Å; V167-L170 PolarHBondContact O-N 2.62Å; E168-L170 VanDerWaalsContact C-N 3.34Å; L170-M172 VanDerWaalsContact C-N 3.34Å; L170-S174 VanDerWaalsContact O-CB 3.25Å; L170-S174 WeakPolarHBondContact O-CB 3.18Å; L170-S174 PolarHBondContact O-N 3.42Å; L170-S174 PolarHBondContact O-OG 3.08Å
171	D	97.2	Very high	97	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.064	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-39.1	176.2	-78.6	-20.9	0	0	0	111.4	A94 I123 K126 V167 E168 Y169 F175	A94-D171 HydrophobicContact CB-CB 4.28Å; I123-D171 HydrophobicContact CD1-CB 4.03Å; I123-D171 HydrophobicContact CG1-CB 4.24Å; K126-D171 IonicContact NZ-OD1 3.86Å; K126-D171 PolarHBondContact NZ-OD1 3.19Å; K126-D171 IonicContact NZ-OD2 3.78Å; K126-D171 PolarHBondContact NZ-OD2 3.26Å; V167-D171 PolarHBondContact O-N 2.98Å; E168-D171 PolarHBondContact O-N 3.01Å; Y169-D171 VanDerWaalsContact C-N 3.32Å; Y169-D171 PolarHBondContact O-N 3.45Å; D171-F175 PolarHBondContact O-N 3.26Å; D171-F175 VanDerWaalsContact O-N 3.11Å
172	M	97	Very high	96.8	Very high	24 Å²	24	33 Å²	33	12%	0.118	17%	0.173	C	C	.	.	H	α-helix	trans	-67.7	-47.4	175.3	-68.4	-173.2	-64.3	0	0	112.8	A94 A97 E168 Y169 L170 S174 F175 I176	A94-M172 HydrophobicContact CB-CG 4.23Å; A97-M172 HydrophobicContact CB-CG 4.36Å; A97-M172 HydrophobicContact CB-SD 3.36Å; A97-M172 WeakPolarHBondContact CB-SD 3.17Å; E168-M172 HydrophobicContact CG-CE 4.47Å; E168-M172 WeakPolarHBondContact O-CG 3.35Å; E168-M172 PolarHBondContact O-N 2.79Å; E168-M172 VanDerWaalsContact O-N 3.12Å; Y169-M172 HydrophobicContact CD1-CE 3.27Å; Y169-M172 HydrophobicContact CE1-CE 3.68Å; Y169-M172 HydrophobicContact CG-CE 3.98Å; Y169-M172 PolarHBondContact O-N 2.92Å; L170-M172 VanDerWaalsContact C-N 3.34Å; M172-S174 VanDerWaalsContact C-N 3.3Å; M172-S174 PolarHBondContact O-N 2.99Å; M172-F175 WeakPolarHBondContact O-CB 3.39Å; M172-F175 PolarHBondContact O-N 2.94Å; M172-I176 WeakPolarHBondContact O-CG1 3.46Å; M172-I176 PolarHBondContact O-N 3.47Å
173	E	97.2	Very high	96.5	Very high	31 Å²	31	30.6 Å²	30.6	15%	0.145	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-35.7	178.2	-70	-58.9	151.8	0	0	111.7	S39 Q42 L43 L46 Y169 F175 I176 H177	S39-E173 WeakPolarHBondContact CB-OE2 3.45Å; S39-E173 PolarHBondContact OG-OE2 3.47Å; Q42-E173 HydrophobicContact CB-CG 3.89Å; L43-E173 HydrophobicContact CD2-CB 3.81Å; L43-E173 HydrophobicContact CG-CB 4.09Å; L46-E173 HydrophobicContact CD1-CB 4.48Å; L46-E173 HydrophobicContact CD1-CG 4Å; Y169-E173 WeakPolarHBondContact O-CG 3.48Å; Y169-E173 PolarHBondContact O-N 2.94Å; E173-F175 VanDerWaalsContact C-N 3.3Å; E173-F175 PolarHBondContact O-N 3.37Å; E173-I176 PolarHBondContact O-N 3.43Å; E173-H177 VanDerWaalsContact O-CB 3.28Å; E173-H177 WeakPolarHBondContact O-CB 3.49Å; E173-H177 PolarHBondContact O-N 3.25Å
174	S	96.9	Very high	96.2	Very high	40 Å²	40	31.1 Å²	31.1	28%	0.28	16%	0.16	S	C	.	.	H	α-helix	trans	-63.4	-40.2	174.7	-61.2	0	0	0	0	111.1	L43 L170 M172 S178	L43-S174 VanDerWaalsContact CD2-OG 3.31Å; L43-S174 WeakPolarHBondContact CD2-OG 3.4Å; L170-S174 VanDerWaalsContact O-CB 3.25Å; L170-S174 WeakPolarHBondContact O-CB 3.18Å; L170-S174 PolarHBondContact O-N 3.42Å; L170-S174 PolarHBondContact O-OG 3.08Å; M172-S174 VanDerWaalsContact C-N 3.3Å; M172-S174 PolarHBondContact O-N 2.99Å; S174-S178 VanDerWaalsContact O-CB 3.28Å; S174-S178 WeakPolarHBondContact O-CB 3.37Å; S174-S178 PolarHBondContact O-N 3.26Å; S174-S178 PolarHBondContact O-OG 3.47Å
175	F	96.4	Very high	95.8	Very high	4 Å²	4	36 Å²	36	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-48.6	174	173.2	-86.6	0	0	0	111.4	I98 L101 K102 F116 L119 E120 D171 M172 E173 S178 F179	I98-F175 HydrophobicContact CD1-CB 3.89Å; I98-F175 HydrophobicContact CD1-CD2 4.04Å; I98-F175 HydrophobicContact CD1-CG 3.9Å; I98-F175 HydrophobicContact CG1-CB 4.2Å; I98-F175 HydrophobicContact CG1-CD1 4.03Å; I98-F175 HydrophobicContact CG1-CD2 4.25Å; I98-F175 HydrophobicContact CG1-CG 3.89Å; I98-F175 HydrophobicContact CG2-CD1 4.23Å; I98-F175 HydrophobicContact CG2-CD2 3.83Å; I98-F175 HydrophobicContact CG2-CE1 3.97Å; I98-F175 HydrophobicContact CG2-CE2 3.52Å; I98-F175 HydrophobicContact CG2-CG 4.17Å; I98-F175 HydrophobicContact CG2-CZ 3.6Å; L101-F175 HydrophobicContact CB-CE1 4.36Å; L101-F175 HydrophobicContact CD1-CD1 4.47Å; K102-F175 HydrophobicContact CD-CZ 4.3Å; K102-F175 HydrophobicContact CG-CZ 3.83Å; F116-F175 AromaticContact CD1-CE2 3.84Å; F116-F175 HydrophobicContact CD1-CE2 3.84Å; F116-F175 AromaticContact CD1-CZ 3.5Å; F116-F175 HydrophobicContact CD1-CZ 3.5Å; F116-F175 AromaticContact CE1-CZ 3.81Å; F116-F175 HydrophobicContact CE1-CZ 3.81Å; L119-F175 HydrophobicContact CB-CD2 3.84Å; L119-F175 HydrophobicContact CB-CE2 3.87Å; L119-F175 HydrophobicContact CD1-CE2 4.21Å; E120-F175 HydrophobicContact CG-CE2 4.16Å; D171-F175 PolarHBondContact O-N 3.26Å; D171-F175 VanDerWaalsContact O-N 3.11Å; M172-F175 WeakPolarHBondContact O-CB 3.39Å; M172-F175 PolarHBondContact O-N 2.94Å; E173-F175 VanDerWaalsContact C-N 3.3Å; E173-F175 PolarHBondContact O-N 3.37Å; F175-S178 PolarHBondContact O-N 2.94Å; F175-F179 VanDerWaalsContact O-CB 3.22Å; F175-F179 WeakPolarHBondContact O-CB 3.27Å; F175-F179 PolarHBondContact O-N 3.45Å
176	I	96.1	Very high	95.3	Very high	17 Å²	17	35.6 Å²	35.6	9%	0.087	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-52.1	179.8	-69.1	167.2	0	0	0	110.4	S39 L101 Y105 M172 E173 S178 F179 L180	S39-I176 WeakPolarHBondContact OG-CG2 3.29Å; L101-I176 HydrophobicContact CD1-CD1 3.91Å; L101-I176 HydrophobicContact CD1-CG1 3.91Å; L101-I176 HydrophobicContact CD2-CD1 4.4Å; Y105-I176 HydrophobicContact CE2-CG1 4.49Å; Y105-I176 WeakPolarHBondContact OH-CG2 3.43Å; M172-I176 WeakPolarHBondContact O-CG1 3.46Å; M172-I176 PolarHBondContact O-N 3.47Å; E173-I176 PolarHBondContact O-N 3.43Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-S178 PolarHBondContact O-N 3Å; I176-F179 PolarHBondContact O-N 2.96Å; I176-L180 HydrophobicContact CG2-CD1 3.55Å; I176-L180 HydrophobicContact CG2-CG 4.19Å; I176-L180 WeakPolarHBondContact O-CB 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.45Å; I176-L180 PolarHBondContact O-N 3.27Å
177	H	96.7	Very high	94.6	Very high	37 Å²	37	36.5 Å²	36.5	17%	0.171	19%	0.191	C	C	.	.	H	α-helix	trans	-55.3	-49.1	178.8	178.1	-87.1	0	0	0	112	E40 L43 E173 F179 L180 S181	E40-H177 WeakPolarHBondContact CG-CD2 3.35Å; E40-H177 WeakPolarHBondContact CG-NE2 3.33Å; E40-H177 IonicContact OE1-CD2 2.82Å; E40-H177 IonicContact OE1-CE1 2.66Å; E40-H177 IonicContact OE1-NE2 3.73Å; E40-H177 PolarHBondContact OE1-NE2 3Å; L43-H177 HydrophobicContact CD1-CB 4.17Å; E173-H177 VanDerWaalsContact O-CB 3.28Å; E173-H177 WeakPolarHBondContact O-CB 3.49Å; E173-H177 PolarHBondContact O-N 3.25Å; H177-F179 PolarHBondContact O-N 3.35Å; H177-L180 PolarHBondContact O-N 3.44Å; H177-S181 VanDerWaalsContact O-CB 3.29Å; H177-S181 WeakPolarHBondContact O-CB 3.27Å; H177-S181 PolarHBondContact O-N 3.05Å; H177-S181 PolarHBondContact O-OG 2.92Å
178	S	95.1	Very high	93.9	Very high	43 Å²	43	37.8 Å²	37.8	30%	0.301	20%	0.201	S	C	.	.	H	α-helix	trans	-65.5	-40.4	-179.4	-59.7	0	0	0	0	111.9	L119 S174 F175 I176 Q182	L119-S178 VanDerWaalsContact CD2-CB 3.48Å; S174-S178 VanDerWaalsContact O-CB 3.28Å; S174-S178 WeakPolarHBondContact O-CB 3.37Å; S174-S178 PolarHBondContact O-N 3.26Å; S174-S178 PolarHBondContact O-OG 3.47Å; F175-S178 PolarHBondContact O-N 2.94Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-S178 PolarHBondContact O-N 3Å; S178-Q182 WeakPolarHBondContact O-CG 3.47Å; S178-Q182 PolarHBondContact O-N 3.23Å; S178-Q182 VanDerWaalsContact O-N 3.16Å
179	F	94.4	Very high	93	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-51.9	177.1	167.9	-99.6	0	0	0	111.5	Y105 F114 F116 L119 F175 I176 H177 S181 Q182 L183	Y105-F179 VanDerWaalsContact CB-CE1 3.45Å; Y105-F179 VanDerWaalsContact CB-CZ 3.45Å; Y105-F179 HydrophobicContact CD1-CD1 4.24Å; Y105-F179 AromaticContact CD1-CE1 3.54Å; Y105-F179 HydrophobicContact CD1-CE1 3.54Å; Y105-F179 HydrophobicContact CD1-CZ 4.35Å; Y105-F179 AromaticContact CD2-CD1 3.74Å; Y105-F179 HydrophobicContact CD2-CD1 3.74Å; Y105-F179 AromaticContact CD2-CE1 3.63Å; Y105-F179 HydrophobicContact CD2-CE1 3.63Å; Y105-F179 HydrophobicContact CD2-CZ 4.34Å; Y105-F179 HydrophobicContact CE1-CD1 4.46Å; Y105-F179 HydrophobicContact CE1-CE1 4.12Å; Y105-F179 AromaticContact CE2-CD1 3.99Å; Y105-F179 HydrophobicContact CE2-CD1 3.99Å; Y105-F179 HydrophobicContact CE2-CE1 4.2Å; Y105-F179 AromaticContact CG-CD1 3.88Å; Y105-F179 HydrophobicContact CG-CD1 3.88Å; Y105-F179 AromaticContact CG-CE1 3.26Å; Y105-F179 HydrophobicContact CG-CE1 3.26Å; Y105-F179 AromaticContact CG-CZ 3.84Å; Y105-F179 HydrophobicContact CG-CZ 3.84Å; F114-F179 HydrophobicContact CB-CE2 4.47Å; F114-F179 HydrophobicContact CD1-CD2 4.2Å; F114-F179 AromaticContact CD1-CE2 3.65Å; F114-F179 HydrophobicContact CD1-CE2 3.65Å; F114-F179 AromaticContact CD2-CE2 3.7Å; F114-F179 HydrophobicContact CD2-CE2 3.7Å; F114-F179 HydrophobicContact CD2-CZ 4.23Å; F114-F179 HydrophobicContact CE1-CD2 4.27Å; F114-F179 AromaticContact CE1-CE2 3.57Å; F114-F179 HydrophobicContact CE1-CE2 3.57Å; F114-F179 HydrophobicContact CE1-CZ 4.09Å; F114-F179 AromaticContact CE2-CE2 3.6Å; F114-F179 HydrophobicContact CE2-CE2 3.6Å; F114-F179 AromaticContact CE2-CZ 3.71Å; F114-F179 HydrophobicContact CE2-CZ 3.71Å; F114-F179 HydrophobicContact CG-CD2 4.45Å; F114-F179 AromaticContact CG-CE2 3.68Å; F114-F179 HydrophobicContact CG-CE2 3.68Å; F114-F179 AromaticContact CZ-CE2 3.5Å; F114-F179 HydrophobicContact CZ-CE2 3.5Å; F114-F179 AromaticContact CZ-CZ 3.6Å; F114-F179 HydrophobicContact CZ-CZ 3.6Å; F116-F179 HydrophobicContact CD1-CD2 4.36Å; F116-F179 AromaticContact CE1-CD2 3.47Å; F116-F179 HydrophobicContact CE1-CD2 3.47Å; F116-F179 VanDerWaalsContact CE1-CD2 3.47Å; F116-F179 AromaticContact CE1-CE2 3.66Å; F116-F179 HydrophobicContact CE1-CE2 3.66Å; F116-F179 HydrophobicContact CE1-CG 4.4Å; F116-F179 HydrophobicContact CZ-CD2 4.13Å; F116-F179 AromaticContact CZ-CE2 3.83Å; F116-F179 HydrophobicContact CZ-CE2 3.83Å; L119-F179 HydrophobicContact CD1-CB 4.06Å; F175-F179 VanDerWaalsContact O-CB 3.22Å; F175-F179 WeakPolarHBondContact O-CB 3.27Å; F175-F179 PolarHBondContact O-N 3.45Å; I176-F179 PolarHBondContact O-N 2.96Å; H177-F179 PolarHBondContact O-N 3.35Å; F179-S181 VanDerWaalsContact C-N 3.33Å; F179-S181 PolarHBondContact O-N 3.45Å; F179-Q182 PolarHBondContact O-N 3.4Å; F179-L183 HydrophobicContact CE1-CD2 4.26Å; F179-L183 HydrophobicContact CZ-CD2 4.43Å; F179-L183 PolarHBondContact O-N 3.15Å
180	L	95.2	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.7	-37.4	-178.1	-67.8	173.2	0	0	0	111.7	I32 E35 I36 Y105 I176 H177 Q182 L183 L184	I32-L180 HydrophobicContact CG2-CB 4.29Å; I32-L180 HydrophobicContact CG2-CD2 4.49Å; E35-L180 HydrophobicContact CB-CD1 3.7Å; E35-L180 HydrophobicContact CG-CD1 3.48Å; E35-L180 VanDerWaalsContact CG-CD1 3.48Å; I36-L180 HydrophobicContact CD1-CB 4.01Å; I36-L180 HydrophobicContact CG1-CB 3.45Å; I36-L180 VanDerWaalsContact CG1-CB 3.45Å; I36-L180 HydrophobicContact CG1-CD1 4.28Å; Y105-L180 HydrophobicContact CD1-CD2 4.47Å; Y105-L180 HydrophobicContact CE1-CD2 3.87Å; I176-L180 HydrophobicContact CG2-CD1 3.55Å; I176-L180 HydrophobicContact CG2-CG 4.19Å; I176-L180 WeakPolarHBondContact O-CB 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.45Å; I176-L180 PolarHBondContact O-N 3.27Å; H177-L180 PolarHBondContact O-N 3.44Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; L180-Q182 PolarHBondContact O-N 2.92Å; L180-L183 HydrophobicContact CD2-CD2 4.31Å; L180-L183 WeakPolarHBondContact O-CB 3.43Å; L180-L183 PolarHBondContact O-N 3.03Å; L180-L184 WeakPolarHBondContact O-CB 3.42Å; L180-L184 PolarHBondContact O-N 3.41Å
181	S	94.7	Very high	89.6	Confident	41 Å²	41	43.5 Å²	43.5	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-43.2	174.3	-61.6	0	0	0	0	111.9	H177 F179 L184 E185	H177-S181 VanDerWaalsContact O-CB 3.29Å; H177-S181 WeakPolarHBondContact O-CB 3.27Å; H177-S181 PolarHBondContact O-N 3.05Å; H177-S181 PolarHBondContact O-OG 2.92Å; F179-S181 VanDerWaalsContact C-N 3.33Å; F179-S181 PolarHBondContact O-N 3.45Å; S181-L184 PolarHBondContact O-N 2.96Å; S181-E185 PolarHBondContact O-N 3.22Å; S181-E185 VanDerWaalsContact O-N 3.09Å
182	Q	92.5	Very high	87	Confident	84 Å²	84	53.8 Å²	53.8	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-67	-38.1	175.2	-72.8	177.9	34.9	0	0	112.3	S178 F179 L180 E185 A186	S178-Q182 WeakPolarHBondContact O-CG 3.47Å; S178-Q182 PolarHBondContact O-N 3.23Å; S178-Q182 VanDerWaalsContact O-N 3.16Å; F179-Q182 PolarHBondContact O-N 3.4Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; L180-Q182 PolarHBondContact O-N 2.92Å; Q182-E185 PolarHBondContact O-N 3.38Å; Q182-A186 WeakPolarHBondContact O-CB 3.48Å; Q182-A186 PolarHBondContact O-N 3Å
183	L	91.8	Very high	86.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-46.6	175.3	169.6	63.8	0	0	0	111.1	I32 Y109 V112 F114 F179 L180 E185 A186 M187	I32-L183 HydrophobicContact CD1-CD2 3.6Å; I32-L183 HydrophobicContact CD1-CG 3.86Å; I32-L183 HydrophobicContact CG1-CD2 4.04Å; Y109-L183 HydrophobicContact CD1-CD1 4.37Å; Y109-L183 HydrophobicContact CD1-CD2 4.07Å; Y109-L183 HydrophobicContact CD2-CD2 3.52Å; Y109-L183 HydrophobicContact CE1-CD2 3.96Å; Y109-L183 HydrophobicContact CE2-CD2 3.39Å; Y109-L183 HydrophobicContact CG-CD1 4.24Å; Y109-L183 HydrophobicContact CG-CD2 3.85Å; V112-L183 HydrophobicContact CB-CD1 4.26Å; V112-L183 HydrophobicContact CG1-CD1 4.21Å; V112-L183 HydrophobicContact CG2-CD1 3.8Å; F114-L183 HydrophobicContact CE1-CB 3.96Å; F114-L183 HydrophobicContact CE1-CD1 4.35Å; F114-L183 HydrophobicContact CZ-CB 3.9Å; F114-L183 HydrophobicContact CZ-CD1 3.61Å; F114-L183 HydrophobicContact CZ-CG 4.2Å; F179-L183 HydrophobicContact CE1-CD2 4.26Å; F179-L183 HydrophobicContact CZ-CD2 4.43Å; F179-L183 PolarHBondContact O-N 3.15Å; L180-L183 HydrophobicContact CD2-CD2 4.31Å; L180-L183 WeakPolarHBondContact O-CB 3.43Å; L180-L183 PolarHBondContact O-N 3.03Å; L183-E185 VanDerWaalsContact C-N 3.32Å; L183-E185 PolarHBondContact O-N 3.29Å; L183-A186 PolarHBondContact O-N 3.38Å; L183-M187 HydrophobicContact CD1-CG 3.92Å; L183-M187 HydrophobicContact CD1-SD 3.72Å; L183-M187 HydrophobicContact CG-SD 4.05Å; L183-M187 WeakPolarHBondContact O-CG 3.39Å; L183-M187 PolarHBondContact O-N 3.45Å
184	L	92.4	Very high	86	Confident	33 Å²	33	56.5 Å²	56.5	17%	0.173	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-43.5	177.7	-176.4	63.5	0	0	0	111.5	L29 I32 E33 I36 L180 S181 S188	L29-L184 HydrophobicContact CD2-CD1 3.56Å; I32-L184 HydrophobicContact CG2-CB 3.92Å; I32-L184 HydrophobicContact CG2-CD1 4.26Å; E33-L184 HydrophobicContact CG-CD1 4.08Å; E33-L184 HydrophobicContact CG-CD2 3.88Å; I36-L184 HydrophobicContact CD1-CB 4.19Å; I36-L184 HydrophobicContact CD1-CD2 3.85Å; L180-L184 WeakPolarHBondContact O-CB 3.42Å; L180-L184 PolarHBondContact O-N 3.41Å; S181-L184 PolarHBondContact O-N 2.96Å; L184-S188 VanDerWaalsContact O-CB 3.26Å; L184-S188 WeakPolarHBondContact O-CB 3.24Å; L184-S188 PolarHBondContact O-N 3.03Å; L184-S188 PolarHBondContact O-OG 2.84Å
185	E	90.4	Very high	85.4	Confident	125 Å²	125	57.4 Å²	57.4	58%	0.584	32%	0.322	S	S	*	.	H	α-helix	trans	-62.8	-45.5	175.9	-175.2	178.6	-177.3	0	0	111.8	S181 Q182 L183 S188 N189	S181-E185 PolarHBondContact O-N 3.22Å; S181-E185 VanDerWaalsContact O-N 3.09Å; Q182-E185 PolarHBondContact O-N 3.38Å; L183-E185 VanDerWaalsContact C-N 3.32Å; L183-E185 PolarHBondContact O-N 3.29Å; E185-S188 PolarHBondContact O-N 3.23Å; E185-N189 WeakPolarHBondContact O-CB 3.42Å; E185-N189 VanDerWaalsContact O-CG 3.3Å; E185-N189 PolarHBondContact O-N 3.45Å; E185-N189 VanDerWaalsContact O-N 3.1Å; E185-N189 PolarHBondContact O-ND2 2.7Å; E185-N189 VanDerWaalsContact O-ND2 3.14Å
186	A	87.2	Confident	84.7	Confident	34 Å²	34	60.6 Å²	60.6	28%	0.281	34%	0.34	S	S	.	.	H	α-helix	trans	-61.3	-47.9	178.7	0	0	0	0	0	111.9	V112 Q182 L183 S188 N189 D190	V112-A186 HydrophobicContact CG1-CB 4.5Å; Q182-A186 WeakPolarHBondContact O-CB 3.48Å; Q182-A186 PolarHBondContact O-N 3Å; L183-A186 PolarHBondContact O-N 3.38Å; A186-S188 VanDerWaalsContact C-N 3.34Å; A186-S188 PolarHBondContact O-N 3.35Å; A186-N189 PolarHBondContact O-N 3.18Å; A186-D190 PolarHBondContact O-N 3.03Å; A186-D190 VanDerWaalsContact O-N 3.08Å
187	M	84.5	Confident	84	Confident	37 Å²	37	63.3 Å²	63.3	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-38.3	178.6	-69.4	179.3	74.6	0	0	112.3	E28 L29 I32 L183 N189 D190 G191	E28-M187 HydrophobicContact CB-CE 4.06Å; L29-M187 HydrophobicContact CD2-CB 3.9Å; L29-M187 HydrophobicContact CD2-CE 4.29Å; L29-M187 HydrophobicContact CD2-SD 4.38Å; I32-M187 HydrophobicContact CD1-CE 4.36Å; I32-M187 HydrophobicContact CD1-SD 3.42Å; I32-M187 WeakPolarHBondContact CD1-SD 3.21Å; L183-M187 HydrophobicContact CD1-CG 3.92Å; L183-M187 HydrophobicContact CD1-SD 3.72Å; L183-M187 HydrophobicContact CG-SD 4.05Å; L183-M187 WeakPolarHBondContact O-CG 3.39Å; L183-M187 PolarHBondContact O-N 3.45Å; M187-N189 VanDerWaalsContact C-N 3.27Å; M187-N189 PolarHBondContact O-N 2.97Å; M187-D190 PolarHBondContact O-N 2.94Å; M187-G191 PolarHBondContact O-N 3.02Å
188	S	82.6	Confident	83.2	Confident	52 Å²	52	65.1 Å²	65.1	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-68.7	-25.7	178.2	-63.3	0	0	0	0	113.4	L184 E185 A186	L184-S188 VanDerWaalsContact O-CB 3.26Å; L184-S188 WeakPolarHBondContact O-CB 3.24Å; L184-S188 PolarHBondContact O-N 3.03Å; L184-S188 PolarHBondContact O-OG 2.84Å; E185-S188 PolarHBondContact O-N 3.23Å; A186-S188 VanDerWaalsContact C-N 3.34Å; A186-S188 PolarHBondContact O-N 3.35Å
189	N	78.1	Confident	82.3	Confident	85 Å²	85	66.6 Å²	66.6	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-86.2	-33.3	178	-73.2	-31.7	0	0	0	112.6	E185 A186 M187 G191 K192	E185-N189 WeakPolarHBondContact O-CB 3.42Å; E185-N189 VanDerWaalsContact O-CG 3.3Å; E185-N189 PolarHBondContact O-N 3.45Å; E185-N189 VanDerWaalsContact O-N 3.1Å; E185-N189 PolarHBondContact O-ND2 2.7Å; E185-N189 VanDerWaalsContact O-ND2 3.14Å; A186-N189 PolarHBondContact O-N 3.18Å; M187-N189 VanDerWaalsContact C-N 3.27Å; M187-N189 PolarHBondContact O-N 2.97Å; N189-G191 PolarHBondContact O-N 3.45Å; N189-K192 PolarHBondContact O-N 3.14Å
190	D	69.1	Low	81.4	Confident	142 Å²	142	71.8 Å²	71.8	76%	0.759	40%	0.401	S	S	*	.	H	α-helix	trans	-69.4	-22.4	175	-77.9	-11.4	0	0	0	112.8	A186 M187 K192	A186-D190 PolarHBondContact O-N 3.03Å; A186-D190 VanDerWaalsContact O-N 3.08Å; M187-D190 PolarHBondContact O-N 2.94Å; D190-K192 VanDerWaalsContact C-N 3.32Å; D190-K192 PolarHBondContact O-N 3.09Å
191	G	56.7	Low	80.3	Confident	73 Å²	73	77.8 Å²	77.8	75%	0.753	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-1.2	176.3	0	0	0	0	0	116.1	M187 N189	M187-G191 PolarHBondContact O-N 3.02Å; N189-G191 PolarHBondContact O-N 3.45Å
192	K	43.2	Very low	78.9	Confident	227 Å²	227	81.1 Å²	81.1	99%	0.987	45%	0.448	S	S	*	.			trans	-107.8	0	-179.4	-70.3	178.7	-174.8	163.3	0	112.5	N189 D190	N189-K192 PolarHBondContact O-N 3.14Å; D190-K192 VanDerWaalsContact C-N 3.32Å; D190-K192 PolarHBondContact O-N 3.09Å

Retrieved 192 of 192 residues in 379.3 ms (Link to these results)

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