A0A5K4F8G0_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F8G0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 194 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	62.1	Low	80.5	Confident	214 Å²	214	114.2 Å²	114.2	100%	1.054	61%	0.609	S	S	*	*				0	-20.5	0	-80.7	175.8	72.4	0	0	114.5	C3	M1-C3 PolarHBondContact O-N 3.44Å
2	V	72.8	Confident	80.9	Confident	103 Å²	103	113.6 Å²	113.6	62%	0.624	61%	0.605	S	S	*	*	H	α-helix	trans	-62.5	-39.9	-178.9	178.9	0	0	0	0	113.3	L4 V5 W6	V2-L4 VanDerWaalsContact C-N 3.32Å; V2-L4 PolarHBondContact O-N 3.37Å; V2-V5 PolarHBondContact O-N 3.24Å; V2-W6 PolarHBondContact O-N 3.27Å
3	C	79	Confident	81	Confident	99 Å²	99	112 Å²	112	67%	0.669	60%	0.596	S	S	*	*	H	α-helix	trans	-62.6	-33.1	-176.7	-57.6	0	0	0	0	114.5	M1 W6 F7	M1-C3 PolarHBondContact O-N 3.44Å; C3-W6 PolarHBondContact O-N 3.15Å; C3-F7 PolarHBondContact O-N 3.42Å; C3-F7 VanDerWaalsContact O-N 3.15Å
4	L	79.4	Confident	80.8	Confident	116 Å²	116	112.4 Å²	112.4	61%	0.607	60%	0.597	S	S	*	*	H	α-helix	trans	-66.5	-39.4	179.3	-111.1	140.3	0	0	0	111.5	V2 F7 H8	V2-L4 VanDerWaalsContact C-N 3.32Å; V2-L4 PolarHBondContact O-N 3.37Å; L4-F7 PolarHBondContact O-N 2.99Å; L4-H8 PolarHBondContact O-CD2 3.44Å; L4-H8 PolarHBondContact O-N 3.29Å
5	V	82.2	Confident	80.4	Confident	93 Å²	93	112.2 Å²	112.2	56%	0.564	60%	0.596	S	S	*	*	H	α-helix	trans	-64.1	-43	177.4	-179.1	0	0	0	0	110.8	V2 F7 H8 V9	V2-V5 PolarHBondContact O-N 3.24Å; V5-F7 PolarHBondContact O-N 3.48Å; V5-H8 PolarHBondContact O-N 3.17Å; V5-V9 HydrophobicContact CG1-CG2 4.43Å; V5-V9 WeakPolarHBondContact O-CG2 3.35Å; V5-V9 PolarHBondContact O-N 3.41Å
6	W	82.1	Confident	80	Confident	185 Å²	185	112.1 Å²	112.1	70%	0.701	60%	0.595	S	S	*	*	H	α-helix	trans	-64.4	-39.1	178.2	-80.3	91.2	0	0	0	113.1	V2 C3 V9 A10	V2-W6 PolarHBondContact O-N 3.27Å; C3-W6 PolarHBondContact O-N 3.15Å; W6-V9 PolarHBondContact O-N 2.95Å; W6-A10 WeakPolarHBondContact O-CB 3.35Å; W6-A10 PolarHBondContact O-N 2.93Å
7	F	85.3	Confident	79.3	Confident	162 Å²	162	113.5 Å²	113.5	71%	0.711	60%	0.597	S	S	*	*	H	α-helix	trans	-61.4	-43.7	174.4	-100.2	-79.3	0	0	0	112.1	C3 L4 V5 A10 A11	C3-F7 PolarHBondContact O-N 3.42Å; C3-F7 VanDerWaalsContact O-N 3.15Å; L4-F7 PolarHBondContact O-N 2.99Å; V5-F7 PolarHBondContact O-N 3.48Å; F7-A10 PolarHBondContact O-N 2.97Å; F7-A11 WeakPolarHBondContact O-CB 3.39Å; F7-A11 PolarHBondContact O-N 3.47Å
8	H	83.1	Confident	78.6	Confident	116 Å²	116	111.1 Å²	111.1	54%	0.537	59%	0.587	S	S	.	*	H	α-helix	trans	-65.8	-41.2	177.2	-70.4	-56.1	0	0	0	112.5	L4 V5 A11 L12	L4-H8 PolarHBondContact O-CD2 3.44Å; L4-H8 PolarHBondContact O-N 3.29Å; V5-H8 PolarHBondContact O-N 3.17Å; H8-A11 PolarHBondContact O-N 3.04Å; H8-L12 WeakPolarHBondContact O-CB 3.28Å; H8-L12 VanDerWaalsContact O-CG 3.28Å; H8-L12 WeakPolarHBondContact O-CG 3.41Å; H8-L12 PolarHBondContact O-N 3.39Å
9	V	86.5	Confident	78	Confident	69 Å²	69	109.4 Å²	109.4	42%	0.418	59%	0.586	S	S	.	*	H	α-helix	trans	-64	-44.4	176.8	173.6	0	0	0	0	111.1	V5 W6 L12 L13	V5-V9 HydrophobicContact CG1-CG2 4.43Å; V5-V9 WeakPolarHBondContact O-CG2 3.35Å; V5-V9 PolarHBondContact O-N 3.41Å; W6-V9 PolarHBondContact O-N 2.95Å; V9-L12 PolarHBondContact O-N 3.37Å; V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 WeakPolarHBondContact O-CB 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 2.94Å
10	A	87.4	Confident	77.2	Confident	49 Å²	49	108 Å²	108	41%	0.405	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-43.3	177.6	0	0	0	0	0	112	W6 F7 L13 L14	W6-A10 WeakPolarHBondContact O-CB 3.35Å; W6-A10 PolarHBondContact O-N 2.93Å; F7-A10 PolarHBondContact O-N 2.97Å; A10-L13 PolarHBondContact O-N 2.93Å; A10-L14 WeakPolarHBondContact O-CB 3.43Å; A10-L14 PolarHBondContact O-N 2.92Å
11	A	86	Confident	76.6	Confident	50 Å²	50	107.5 Å²	107.5	41%	0.413	58%	0.575	S	S	.	*	H	α-helix	trans	-62.8	-41.9	176.5	0	0	0	0	0	112.1	F7 H8 L14 L15	F7-A11 WeakPolarHBondContact O-CB 3.39Å; F7-A11 PolarHBondContact O-N 3.47Å; H8-A11 PolarHBondContact O-N 3.04Å; A11-L14 PolarHBondContact O-N 3.3Å; A11-L15 WeakPolarHBondContact O-CB 3.48Å; A11-L15 VanDerWaalsContact O-CG 3.3Å; A11-L15 WeakPolarHBondContact O-CG 3.35Å; A11-L15 PolarHBondContact O-N 2.9Å
12	L	84.9	Confident	76.9	Confident	107 Å²	107	101.5 Å²	101.5	56%	0.56	55%	0.551	S	S	*	*	H	α-helix	trans	-65	-42	176	-75.1	167.6	0	0	0	112.2	H8 V9 L15 L16	H8-L12 WeakPolarHBondContact O-CB 3.28Å; H8-L12 VanDerWaalsContact O-CG 3.28Å; H8-L12 WeakPolarHBondContact O-CG 3.41Å; H8-L12 PolarHBondContact O-N 3.39Å; V9-L12 PolarHBondContact O-N 3.37Å; L12-L15 PolarHBondContact O-N 3.11Å; L12-L16 WeakPolarHBondContact O-CB 3.37Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.36Å
13	L	82.1	Confident	76.9	Confident	93 Å²	93	101.3 Å²	101.3	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-41.7	175.9	-74.9	170.2	0	0	0	111.8	V9 A10 L16 H17	V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 WeakPolarHBondContact O-CB 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 2.94Å; A10-L13 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 2.94Å; L13-H17 WeakPolarHBondContact O-CB 3.43Å; L13-H17 PolarHBondContact O-CD2 3.45Å; L13-H17 VanDerWaalsContact O-CD2 3.3Å; L13-H17 PolarHBondContact O-N 3.43Å
14	L	78.9	Confident	76.7	Confident	117 Å²	117	101.1 Å²	101.1	61%	0.613	54%	0.542	S	S	*	.	H	α-helix	trans	-61.6	-46.6	173.9	-102.1	128	0	0	0	111.5	A10 A11 L16 H17 T18	A10-L14 WeakPolarHBondContact O-CB 3.43Å; A10-L14 PolarHBondContact O-N 2.92Å; A11-L14 PolarHBondContact O-N 3.3Å; L14-L16 PolarHBondContact O-N 2.88Å; L14-H17 PolarHBondContact O-N 3.38Å; L14-T18 WeakPolarHBondContact O-CG2 3.3Å; L14-T18 PolarHBondContact O-N 3.37Å; L14-T18 PolarHBondContact O-OG1 3.26Å
15	L	74.9	Confident	76.6	Confident	110 Å²	110	97.5 Å²	97.5	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-62.3	-41	178.1	-75.9	166.9	0	0	0	112.4	A11 L12 T18 S19	A11-L15 WeakPolarHBondContact O-CB 3.48Å; A11-L15 VanDerWaalsContact O-CG 3.3Å; A11-L15 WeakPolarHBondContact O-CG 3.35Å; A11-L15 PolarHBondContact O-N 2.9Å; L12-L15 PolarHBondContact O-N 3.11Å; L15-T18 WeakPolarHBondContact CA-OG1 3.4Å; L15-T18 PolarHBondContact O-OG1 3.4Å; L15-T18 VanDerWaalsContact O-OG1 3.1Å; L15-S19 WeakPolarHBondContact O-CB 3.44Å; L15-S19 PolarHBondContact O-N 2.91Å
16	L	72.9	Confident	76.6	Confident	111 Å²	111	95.7 Å²	95.7	58%	0.581	51%	0.514	S	S	*	.	H	α-helix	trans	-63.6	-46.2	174.8	-75.7	166.8	0	0	0	110.8	L12 L13 L14 S19 T20	L12-L16 WeakPolarHBondContact O-CB 3.37Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.36Å; L13-L16 PolarHBondContact O-N 2.94Å; L14-L16 PolarHBondContact O-N 2.88Å; L16-S19 PolarHBondContact O-N 2.96Å; L16-T20 WeakPolarHBondContact O-CG2 3.48Å; L16-T20 PolarHBondContact O-N 3.1Å; L16-T20 PolarHBondContact O-OG1 2.85Å; L16-T20 VanDerWaalsContact O-OG1 3.11Å
17	H	67.8	Low	76.8	Confident	135 Å²	135	90.9 Å²	90.9	63%	0.625	50%	0.501	S	S	*	.	H	α-helix	trans	-61.7	-47.2	177.2	-88.8	-62.6	0	0	0	112.3	L13 L14 S19 T20 Q21	L13-H17 WeakPolarHBondContact O-CB 3.43Å; L13-H17 PolarHBondContact O-CD2 3.45Å; L13-H17 VanDerWaalsContact O-CD2 3.3Å; L13-H17 PolarHBondContact O-N 3.43Å; L14-H17 PolarHBondContact O-N 3.38Å; H17-S19 PolarHBondContact O-N 3.49Å; H17-T20 PolarHBondContact O-N 3.14Å; H17-T20 PolarHBondContact O-OG1 3Å; H17-Q21 WeakPolarHBondContact O-CB 3.19Å; H17-Q21 PolarHBondContact O-N 3.48Å
18	T	66.6	Low	77	Confident	70 Å²	70	86.5 Å²	86.5	43%	0.429	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-41.2	178.4	56	0	0	0	0	111.6	L14 L15 T20 Q21 T22	L14-T18 WeakPolarHBondContact O-CG2 3.3Å; L14-T18 PolarHBondContact O-N 3.37Å; L14-T18 PolarHBondContact O-OG1 3.26Å; L15-T18 WeakPolarHBondContact CA-OG1 3.4Å; L15-T18 PolarHBondContact O-OG1 3.4Å; L15-T18 VanDerWaalsContact O-OG1 3.1Å; T18-T20 PolarHBondContact O-N 3.47Å; T18-Q21 PolarHBondContact O-N 3.28Å; T18-T22 PolarHBondContact O-N 3.46Å; T18-T22 PolarHBondContact O-OG1 3.21Å; T18-T22 VanDerWaalsContact O-OG1 3.06Å
19	S	67.2	Low	77.5	Confident	79 Å²	79	82.1 Å²	82.1	55%	0.552	46%	0.463	S	S	*	.	H	α-helix	trans	-61.4	-44.2	177.2	-172.7	0	0	0	0	111.9	L15 L16 H17 D23	L15-S19 WeakPolarHBondContact O-CB 3.44Å; L15-S19 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-N 2.96Å; H17-S19 PolarHBondContact O-N 3.49Å; S19-D23 PolarHBondContact O-N 3.07Å
20	T	62.2	Low	77.9	Confident	81 Å²	81	83.4 Å²	83.4	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-67.6	-35.7	178	54.7	0	0	0	0	112.6	L16 H17 T18 D23 V24	L16-T20 WeakPolarHBondContact O-CG2 3.48Å; L16-T20 PolarHBondContact O-N 3.1Å; L16-T20 PolarHBondContact O-OG1 2.85Å; L16-T20 VanDerWaalsContact O-OG1 3.11Å; H17-T20 PolarHBondContact O-N 3.14Å; H17-T20 PolarHBondContact O-OG1 3Å; T18-T20 PolarHBondContact O-N 3.47Å; T20-D23 PolarHBondContact O-N 3.13Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.06Å
21	Q	64.4	Low	78.2	Confident	98 Å²	98	86.4 Å²	86.4	46%	0.458	47%	0.474	S	S	.	.	H	α-helix	trans	-66.6	-41.4	178	-178.5	167.4	0.6	0	0	112	H17 T18 D23 E25	H17-Q21 WeakPolarHBondContact O-CB 3.19Å; H17-Q21 PolarHBondContact O-N 3.48Å; T18-Q21 PolarHBondContact O-N 3.28Å; Q21-D23 VanDerWaalsContact C-N 3.34Å; Q21-D23 PolarHBondContact O-N 3.3Å; Q21-E25 PolarHBondContact NE2-OE1 3.09Å; Q21-E25 WeakPolarHBondContact O-CG 3.41Å; Q21-E25 PolarHBondContact O-N 3.48Å; Q21-E25 VanDerWaalsContact O-N 3.13Å
22	T	69.1	Low	78.7	Confident	89 Å²	89	84.3 Å²	84.3	55%	0.546	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-37.7	178	-53.2	0	0	0	0	112.2	T18 S26	T18-T22 PolarHBondContact O-N 3.46Å; T18-T22 PolarHBondContact O-OG1 3.21Å; T18-T22 VanDerWaalsContact O-OG1 3.06Å; T22-S26 WeakPolarHBondContact O-CB 3.35Å; T22-S26 PolarHBondContact O-N 3.39Å
23	D	72.5	Confident	79.3	Confident	99 Å²	99	82.8 Å²	82.8	53%	0.529	45%	0.445	S	S	.	.	H	α-helix	trans	-67	-43.8	179.2	-168.3	39.9	0	0	0	112.2	S19 T20 Q21 S26 N27	S19-D23 PolarHBondContact O-N 3.07Å; T20-D23 PolarHBondContact O-N 3.13Å; Q21-D23 VanDerWaalsContact C-N 3.34Å; Q21-D23 PolarHBondContact O-N 3.3Å; D23-S26 PolarHBondContact O-N 3.06Å; D23-N27 PolarHBondContact O-N 3Å; D23-N27 PolarHBondContact O-ND2 3.44Å; D23-N27 VanDerWaalsContact O-ND2 3.16Å
24	V	75.6	Confident	80	Confident	94 Å²	94	81.2 Å²	81.2	57%	0.57	45%	0.446	S	S	*	.	H	α-helix	trans	-62.2	-46.1	176.3	174	0	0	0	0	111.6	T20 S26 N27 Q28	T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 3.06Å; V24-S26 VanDerWaalsContact C-N 3.31Å; V24-S26 PolarHBondContact O-N 2.64Å; V24-N27 PolarHBondContact O-N 3.16Å; V24-Q28 PolarHBondContact O-N 3.3Å; V24-Q28 VanDerWaalsContact O-N 3.09Å
25	E	77.6	Confident	80.9	Confident	41 Å²	41	79.3 Å²	79.3	19%	0.192	43%	0.434	C	S	.	.	H	α-helix	trans	-64.7	-36	178.4	-71.3	177	-176.8	0	0	111.5	Q21 L29 V189 K192	Q21-E25 PolarHBondContact NE2-OE1 3.09Å; Q21-E25 WeakPolarHBondContact O-CG 3.41Å; Q21-E25 PolarHBondContact O-N 3.48Å; Q21-E25 VanDerWaalsContact O-N 3.13Å; E25-L29 VanDerWaalsContact O-CG 3.29Å; E25-L29 WeakPolarHBondContact O-CG 3.38Å; E25-L29 PolarHBondContact O-N 3.16Å; E25-L29 VanDerWaalsContact O-N 3.16Å; E25-V189 HydrophobicContact CB-CG2 4.27Å; E25-K192 IonicContact OE1-NZ 3.81Å; E25-K192 PolarHBondContact OE1-NZ 3.48Å; E25-K192 IonicContact OE2-NZ 2.64Å
26	S	81.4	Confident	82	Confident	55 Å²	55	74.7 Å²	74.7	39%	0.385	41%	0.409	S	S	.	.	H	α-helix	trans	-65.4	-46.3	175.9	-171.2	0	0	0	0	112.2	T22 D23 V24 Q28 L29 E30	T22-S26 WeakPolarHBondContact O-CB 3.35Å; T22-S26 PolarHBondContact O-N 3.39Å; D23-S26 PolarHBondContact O-N 3.06Å; V24-S26 VanDerWaalsContact C-N 3.31Å; V24-S26 PolarHBondContact O-N 2.64Å; S26-Q28 PolarHBondContact O-N 2.99Å; S26-L29 PolarHBondContact O-N 3.14Å; S26-E30 PolarHBondContact O-N 3.3Å; S26-E30 VanDerWaalsContact O-N 3.15Å
27	N	87.4	Confident	83.3	Confident	83 Å²	83	72.2 Å²	72.2	44%	0.444	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-42.7	179.6	-69.5	-34.4	0	0	0	111.4	D23 V24 L29 E30 D31	D23-N27 PolarHBondContact O-N 3Å; D23-N27 PolarHBondContact O-ND2 3.44Å; D23-N27 VanDerWaalsContact O-ND2 3.16Å; V24-N27 PolarHBondContact O-N 3.16Å; N27-L29 VanDerWaalsContact C-N 3.29Å; N27-L29 PolarHBondContact O-N 3.39Å; N27-E30 PolarHBondContact O-N 3.33Å; N27-E30 VanDerWaalsContact O-N 3.16Å; N27-D31 PolarHBondContact O-N 3.44Å
28	Q	89.6	Confident	84.7	Confident	71 Å²	71	71.7 Å²	71.7	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-61.1	-36.4	176.5	-170.9	175	18.2	0	0	112.8	V24 S26 L32 L185	V24-Q28 PolarHBondContact O-N 3.3Å; V24-Q28 VanDerWaalsContact O-N 3.09Å; S26-Q28 PolarHBondContact O-N 2.99Å; Q28-L32 WeakPolarHBondContact O-CG 3.48Å; Q28-L32 PolarHBondContact O-N 2.87Å; Q28-L32 VanDerWaalsContact O-N 3.12Å; Q28-L185 HydrophobicContact CG-CD1 4.45Å
29	L	92.8	Very high	86.2	Confident	23 Å²	23	68.3 Å²	68.3	12%	0.12	37%	0.374	C	S	.	.	H	α-helix	trans	-68.4	-37.2	176	-74.5	172.5	0	0	0	112.6	E25 S26 N27 K33 L182 L185 K186 V189	E25-L29 VanDerWaalsContact O-CG 3.29Å; E25-L29 WeakPolarHBondContact O-CG 3.38Å; E25-L29 PolarHBondContact O-N 3.16Å; E25-L29 VanDerWaalsContact O-N 3.16Å; S26-L29 PolarHBondContact O-N 3.14Å; N27-L29 VanDerWaalsContact C-N 3.29Å; N27-L29 PolarHBondContact O-N 3.39Å; L29-K33 VanDerWaalsContact O-CG 3.27Å; L29-K33 WeakPolarHBondContact O-CG 3.47Å; L29-K33 PolarHBondContact O-N 3.42Å; L29-K33 VanDerWaalsContact O-N 3.16Å; L29-L182 HydrophobicContact CD2-CD1 3.51Å; L29-L185 HydrophobicContact CD2-CB 3.75Å; L29-L185 HydrophobicContact CD2-CD1 4.49Å; L29-K186 HydrophobicContact CD2-CG 4.15Å; L29-V189 HydrophobicContact CD1-CG2 4.15Å
30	E	93.8	Very high	87.7	Confident	96 Å²	96	68.7 Å²	68.7	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-71	-40.3	176.4	-66.1	-51.1	134	0	0	111.8	S26 N27 L32 K33 A34	S26-E30 PolarHBondContact O-N 3.3Å; S26-E30 VanDerWaalsContact O-N 3.15Å; N27-E30 PolarHBondContact O-N 3.33Å; N27-E30 VanDerWaalsContact O-N 3.16Å; E30-L32 PolarHBondContact O-N 2.98Å; E30-K33 PolarHBondContact O-N 3Å; E30-K33 IonicContact OE1-NZ 2.56Å; E30-K33 PolarHBondContact OE1-NZ 3.23Å; E30-K33 IonicContact OE2-NZ 3.66Å; E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 2.97Å
31	D	94.7	Very high	89.4	Confident	112 Å²	112	71 Å²	71	60%	0.599	37%	0.372	S	S	*	.	H	α-helix	trans	-60	-45.2	175.5	-69.7	-21	0	0	0	111.4	N27 K33 A34 E35	N27-D31 PolarHBondContact O-N 3.44Å; D31-K33 PolarHBondContact O-N 3.16Å; D31-A34 PolarHBondContact O-N 3.05Å; D31-E35 PolarHBondContact O-N 3.36Å
32	L	96.1	Very high	91.1	Very high	7 Å²	7	67.8 Å²	67.8	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-40.5	175.9	-76.9	170.3	0	0	0	112.7	Q28 E30 A34 E35 I36 F109 L178 I181 L182 L185	Q28-L32 WeakPolarHBondContact O-CG 3.48Å; Q28-L32 PolarHBondContact O-N 2.87Å; Q28-L32 VanDerWaalsContact O-N 3.12Å; E30-L32 PolarHBondContact O-N 2.98Å; L32-A34 VanDerWaalsContact C-N 3.35Å; L32-E35 PolarHBondContact O-N 3.29Å; L32-I36 WeakPolarHBondContact O-CB 3.29Å; L32-I36 WeakPolarHBondContact O-CD1 3.45Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 2.81Å; L32-F109 HydrophobicContact CD1-CE1 4.26Å; L32-F109 HydrophobicContact CD1-CZ 4.46Å; L32-F109 HydrophobicContact CD2-CZ 4Å; L32-L178 HydrophobicContact CD2-CD2 3.64Å; L32-I181 HydrophobicContact CD1-CG2 3.65Å; L32-I181 HydrophobicContact CD2-CG2 4.16Å; L32-L182 HydrophobicContact CB-CD1 4.34Å; L32-L185 HydrophobicContact CD1-CD1 3.43Å; L32-L185 VanDerWaalsContact CD1-CD1 3.43Å
33	K	97.4	Very high	92.5	Very high	74 Å²	74	65.3 Å²	65.3	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-43.1	175.6	-73.1	169.4	-169.9	170.4	0	111	L29 E30 D31 E35 I36 S37 L182	L29-K33 VanDerWaalsContact O-CG 3.27Å; L29-K33 WeakPolarHBondContact O-CG 3.47Å; L29-K33 PolarHBondContact O-N 3.42Å; L29-K33 VanDerWaalsContact O-N 3.16Å; E30-K33 PolarHBondContact O-N 3Å; E30-K33 IonicContact OE1-NZ 2.56Å; E30-K33 PolarHBondContact OE1-NZ 3.23Å; E30-K33 IonicContact OE2-NZ 3.66Å; D31-K33 PolarHBondContact O-N 3.16Å; K33-E35 VanDerWaalsContact C-N 3.33Å; K33-E35 PolarHBondContact O-N 3.05Å; K33-I36 PolarHBondContact O-N 3.48Å; K33-S37 PolarHBondContact O-N 2.82Å; K33-S37 PolarHBondContact O-OG 3.16Å; K33-L182 HydrophobicContact CG-CD1 4.27Å; K33-L182 HydrophobicContact CG-CD2 3.91Å
34	A	97.9	Very high	93.7	Very high	61 Å²	61	65.4 Å²	65.4	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-42.5	178.1	0	0	0	0	0	111.3	E30 D31 L32 S37 Y38	E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 2.97Å; D31-A34 PolarHBondContact O-N 3.05Å; L32-A34 VanDerWaalsContact C-N 3.35Å; A34-S37 PolarHBondContact O-N 2.95Å; A34-Y38 WeakPolarHBondContact O-CB 3.18Å; A34-Y38 PolarHBondContact O-N 3.15Å
35	E	97.5	Very high	94.8	Very high	77 Å²	77	64.1 Å²	64.1	36%	0.36	33%	0.33	S	S	.	.	H	α-helix	trans	-67.1	-40.3	177.2	-164.1	176.6	178.5	0	0	112.4	D31 L32 K33 Y38 S39 L178	D31-E35 PolarHBondContact O-N 3.36Å; L32-E35 PolarHBondContact O-N 3.29Å; K33-E35 VanDerWaalsContact C-N 3.33Å; K33-E35 PolarHBondContact O-N 3.05Å; E35-Y38 PolarHBondContact O-N 3.33Å; E35-S39 PolarHBondContact O-N 3.13Å; E35-L178 HydrophobicContact CB-CD1 4Å; E35-L178 HydrophobicContact CG-CD1 3.54Å
36	I	98.3	Very high	95.8	Very high	13 Å²	13	64 Å²	64	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-50.1	173.2	-72.4	164.7	0	0	0	110.7	L32 K33 Y38 S39 E40 L178 L182	L32-I36 WeakPolarHBondContact O-CB 3.29Å; L32-I36 WeakPolarHBondContact O-CD1 3.45Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 2.81Å; K33-I36 PolarHBondContact O-N 3.48Å; I36-Y38 VanDerWaalsContact C-N 3.3Å; I36-Y38 PolarHBondContact O-N 3.24Å; I36-S39 PolarHBondContact O-N 3.34Å; I36-E40 WeakPolarHBondContact O-CG 3.42Å; I36-E40 PolarHBondContact O-N 3.08Å; I36-L178 HydrophobicContact CD1-CB 4.08Å; I36-L178 HydrophobicContact CG1-CB 3.57Å; I36-L178 HydrophobicContact CG1-CD1 4.45Å; I36-L182 HydrophobicContact CD1-CB 4.14Å; I36-L182 HydrophobicContact CD1-CD2 3.72Å
37	S	98.5	Very high	96.6	Very high	58 Å²	58	63 Å²	63	41%	0.406	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-40	178	-68.1	0	0	0	0	111.8	K33 A34 E40 E41	K33-S37 PolarHBondContact O-N 2.82Å; K33-S37 PolarHBondContact O-OG 3.16Å; A34-S37 PolarHBondContact O-N 2.95Å; S37-E40 WeakPolarHBondContact O-CB 3.46Å; S37-E40 PolarHBondContact O-N 3.02Å; S37-E41 WeakPolarHBondContact O-CG 3.36Å; S37-E41 PolarHBondContact O-N 2.96Å
38	Y	98.3	Very high	97.1	Very high	124 Å²	124	65.7 Å²	65.7	49%	0.486	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-45.3	174.1	177.5	-98.3	0	0	0	111.8	A34 E35 I36 E40 E41 Q42	A34-Y38 WeakPolarHBondContact O-CB 3.18Å; A34-Y38 PolarHBondContact O-N 3.15Å; E35-Y38 PolarHBondContact O-N 3.33Å; I36-Y38 VanDerWaalsContact C-N 3.3Å; I36-Y38 PolarHBondContact O-N 3.24Å; Y38-E40 VanDerWaalsContact C-N 3.31Å; Y38-E40 PolarHBondContact O-N 3.12Å; Y38-E41 PolarHBondContact O-N 3.47Å; Y38-Q42 HydrophobicContact CD1-CG 4.07Å; Y38-Q42 HydrophobicContact CE1-CG 3.59Å; Y38-Q42 HydrophobicContact CE2-CG 4.17Å; Y38-Q42 WeakPolarHBondContact O-CG 3.34Å; Y38-Q42 PolarHBondContact O-N 3.06Å
39	S	98.3	Very high	97.6	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-38.1	175.3	-77	0	0	0	0	112.2	E35 I36 Q42 M43 E171	E35-S39 PolarHBondContact O-N 3.13Å; I36-S39 PolarHBondContact O-N 3.34Å; S39-Q42 PolarHBondContact O-N 3.25Å; S39-M43 VanDerWaalsContact O-CG 3.27Å; S39-M43 WeakPolarHBondContact O-CG 3.49Å; S39-M43 PolarHBondContact O-N 3.21Å; S39-E171 WeakPolarHBondContact CB-OE2 3.32Å; S39-E171 PolarHBondContact OG-OE2 3.26Å
40	E	98.4	Very high	97.8	Very high	87 Å²	87	65.6 Å²	65.6	41%	0.407	33%	0.328	S	S	.	.	H	α-helix	trans	-59.1	-48.1	173.4	-68.3	175.4	163.6	0	0	112.3	I36 S37 Y38 Q42 M43 D44 H175	I36-E40 WeakPolarHBondContact O-CG 3.42Å; I36-E40 PolarHBondContact O-N 3.08Å; S37-E40 WeakPolarHBondContact O-CB 3.46Å; S37-E40 PolarHBondContact O-N 3.02Å; Y38-E40 VanDerWaalsContact C-N 3.31Å; Y38-E40 PolarHBondContact O-N 3.12Å; E40-Q42 VanDerWaalsContact C-N 3.32Å; E40-Q42 PolarHBondContact O-N 3.16Å; E40-M43 HydrophobicContact CB-CE 4.32Å; E40-M43 HydrophobicContact CG-CE 4Å; E40-M43 PolarHBondContact O-N 3.1Å; E40-D44 PolarHBondContact O-N 2.95Å; E40-D44 VanDerWaalsContact O-N 3.08Å; E40-H175 WeakPolarHBondContact CG-CD2 3.35Å; E40-H175 WeakPolarHBondContact CG-NE2 3.39Å; E40-H175 IonicContact OE1-CD2 2.99Å; E40-H175 IonicContact OE1-CE1 2.85Å; E40-H175 IonicContact OE1-NE2 3.92Å; E40-H175 PolarHBondContact OE1-NE2 3.04Å
41	E	98.6	Very high	98	Very high	130 Å²	130	65.7 Å²	65.7	61%	0.607	33%	0.332	S	S	*	.	H	α-helix	trans	-61.3	-40.5	176.8	-69.2	-179.7	-177.5	0	0	112.2	S37 Y38 D44 L45	S37-E41 WeakPolarHBondContact O-CG 3.36Å; S37-E41 PolarHBondContact O-N 2.96Å; Y38-E41 PolarHBondContact O-N 3.47Å; E41-D44 PolarHBondContact O-N 2.96Å; E41-L45 WeakPolarHBondContact O-CB 3.26Å; E41-L45 PolarHBondContact O-N 3.1Å
42	Q	98.5	Very high	98.2	Very high	30 Å²	30	62.9 Å²	62.9	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-41.3	176.9	-67.9	-52.3	-54.4	0	0	111.9	Y38 S39 E40 D44 L45 Y46 E171	Y38-Q42 HydrophobicContact CD1-CG 4.07Å; Y38-Q42 HydrophobicContact CE1-CG 3.59Å; Y38-Q42 HydrophobicContact CE2-CG 4.17Å; Y38-Q42 WeakPolarHBondContact O-CG 3.34Å; Y38-Q42 PolarHBondContact O-N 3.06Å; S39-Q42 PolarHBondContact O-N 3.25Å; E40-Q42 VanDerWaalsContact C-N 3.32Å; E40-Q42 PolarHBondContact O-N 3.16Å; Q42-D44 VanDerWaalsContact C-N 3.34Å; Q42-D44 PolarHBondContact O-N 3.17Å; Q42-L45 WeakPolarHBondContact O-CB 3.49Å; Q42-L45 PolarHBondContact O-N 3.43Å; Q42-Y46 HydrophobicContact CB-CD2 4.31Å; Q42-Y46 HydrophobicContact CB-CE2 4.02Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.19Å; Q42-Y46 PolarHBondContact O-N 3.34Å; Q42-E171 HydrophobicContact CB-CB 4.41Å; Q42-E171 HydrophobicContact CB-CG 3.76Å
43	M	98.5	Very high	98.3	Very high	37 Å²	37	62.6 Å²	62.6	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-57.7	-48.3	175.3	-72.1	-170.6	-62.9	0	0	111	S39 E40 L45 Y46 A47 L168 E171 S172 H175	S39-M43 VanDerWaalsContact O-CG 3.27Å; S39-M43 WeakPolarHBondContact O-CG 3.49Å; S39-M43 PolarHBondContact O-N 3.21Å; E40-M43 HydrophobicContact CB-CE 4.32Å; E40-M43 HydrophobicContact CG-CE 4Å; E40-M43 PolarHBondContact O-N 3.1Å; M43-L45 VanDerWaalsContact C-N 3.31Å; M43-L45 PolarHBondContact O-N 3.42Å; M43-Y46 PolarHBondContact O-N 3.08Å; M43-A47 WeakPolarHBondContact O-CB 3.49Å; M43-A47 PolarHBondContact O-N 3.44Å; M43-L168 HydrophobicContact CB-CD1 3.68Å; M43-L168 HydrophobicContact CG-CD1 3.88Å; M43-L168 WeakPolarHBondContact O-CD1 3.5Å; M43-E171 HydrophobicContact CG-CB 3.77Å; M43-S172 VanDerWaalsContact SD-CA 3.56Å; M43-H175 HydrophobicContact CE-CB 4.28Å
44	D	98.5	Very high	98.3	Very high	100 Å²	100	61.7 Å²	61.7	54%	0.535	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-42	176.4	-89	-1.7	0	0	0	112.3	E40 E41 Q42 K48	E40-D44 PolarHBondContact O-N 2.95Å; E40-D44 VanDerWaalsContact O-N 3.08Å; E41-D44 PolarHBondContact O-N 2.96Å; Q42-D44 VanDerWaalsContact C-N 3.34Å; Q42-D44 PolarHBondContact O-N 3.17Å; D44-K48 WeakPolarHBondContact O-CB 3.45Å; D44-K48 VanDerWaalsContact O-CG 3.28Å; D44-K48 WeakPolarHBondContact O-CG 3.49Å; D44-K48 PolarHBondContact O-N 2.92Å
45	L	98.5	Very high	98.4	Very high	67 Å²	67	62.7 Å²	62.7	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-46.2	177.1	-178.7	66.6	0	0	0	111.5	E41 Q42 M43 K48 K49	E41-L45 WeakPolarHBondContact O-CB 3.26Å; E41-L45 PolarHBondContact O-N 3.1Å; Q42-L45 WeakPolarHBondContact O-CB 3.49Å; Q42-L45 PolarHBondContact O-N 3.43Å; M43-L45 VanDerWaalsContact C-N 3.31Å; M43-L45 PolarHBondContact O-N 3.42Å; L45-K48 PolarHBondContact O-N 3.23Å; L45-K49 HydrophobicContact CG-CD 4.26Å; L45-K49 VanDerWaalsContact O-CG 3.3Å; L45-K49 WeakPolarHBondContact O-CG 3.49Å; L45-K49 PolarHBondContact O-N 3.43Å
46	Y	98.5	Very high	98.4	Very high	40 Å²	40	61.9 Å²	61.9	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-43.3	179.2	-69.4	-56	0	0	0	111.5	Q42 M43 K48 K49 I50 R164 D167 E171	Q42-Y46 HydrophobicContact CB-CD2 4.31Å; Q42-Y46 HydrophobicContact CB-CE2 4.02Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.19Å; Q42-Y46 PolarHBondContact O-N 3.34Å; M43-Y46 PolarHBondContact O-N 3.08Å; Y46-K48 VanDerWaalsContact C-N 3.33Å; Y46-K48 PolarHBondContact O-N 3.47Å; Y46-K49 HydrophobicContact CD1-CD 4.5Å; Y46-K49 CarbonylContact O-C 3.53Å; Y46-K49 PolarHBondContact O-N 3.17Å; Y46-I50 WeakPolarHBondContact O-CD1 3.41Å; Y46-I50 VanDerWaalsContact O-CG1 3.24Å; Y46-I50 WeakPolarHBondContact O-CG1 3.44Å; Y46-I50 PolarHBondContact O-N 3.05Å; Y46-R164 HydrophobicContact CD1-CB 4.29Å; Y46-R164 HydrophobicContact CD1-CG 4.33Å; Y46-D167 HydrophobicContact CD1-CB 4.06Å; Y46-D167 HydrophobicContact CD2-CB 4.08Å; Y46-D167 HydrophobicContact CE1-CB 3.7Å; Y46-D167 HydrophobicContact CE2-CB 3.73Å; Y46-D167 HydrophobicContact CG-CB 4.26Å; Y46-E171 HydrophobicContact CD2-CG 4.34Å; Y46-E171 HydrophobicContact CE2-CG 3.96Å
47	A	98.4	Very high	98.3	Very high	33 Å²	33	62.1 Å²	62.1	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-55.8	-46.3	175.2	0	0	0	0	0	111.8	M43 K49 I50 N51	M43-A47 WeakPolarHBondContact O-CB 3.49Å; M43-A47 PolarHBondContact O-N 3.44Å; A47-K49 PolarHBondContact O-N 3.49Å; A47-I50 PolarHBondContact O-N 3.35Å; A47-N51 VanDerWaalsContact O-CG 3.32Å; A47-N51 PolarHBondContact O-N 3.17Å; A47-N51 PolarHBondContact O-ND2 3.24Å
48	K	98.7	Very high	98.2	Very high	140 Å²	140	63.3 Å²	63.3	61%	0.609	32%	0.321	S	S	*	.	H	α-helix	trans	-59.9	-43.4	174.6	-72.9	167.5	-173	164.9	0	112	D44 L45 Y46 N51 A52	D44-K48 WeakPolarHBondContact O-CB 3.45Å; D44-K48 VanDerWaalsContact O-CG 3.28Å; D44-K48 WeakPolarHBondContact O-CG 3.49Å; D44-K48 PolarHBondContact O-N 2.92Å; L45-K48 PolarHBondContact O-N 3.23Å; Y46-K48 VanDerWaalsContact C-N 3.33Å; Y46-K48 PolarHBondContact O-N 3.47Å; K48-N51 PolarHBondContact O-N 3.28Å; K48-A52 WeakPolarHBondContact O-CB 3.27Å; K48-A52 PolarHBondContact O-N 3.45Å
49	K	98.6	Very high	98.2	Very high	77 Å²	77	59.9 Å²	59.9	34%	0.335	32%	0.316	S	S	.	.	H	α-helix	trans	-70.1	-30.3	179.4	-70	170.8	176.1	168.6	0	113	L45 Y46 A47 S53 R164	L45-K49 HydrophobicContact CG-CD 4.26Å; L45-K49 VanDerWaalsContact O-CG 3.3Å; L45-K49 WeakPolarHBondContact O-CG 3.49Å; L45-K49 PolarHBondContact O-N 3.43Å; Y46-K49 HydrophobicContact CD1-CD 4.5Å; Y46-K49 CarbonylContact O-C 3.53Å; Y46-K49 PolarHBondContact O-N 3.17Å; A47-K49 PolarHBondContact O-N 3.49Å; K49-S53 PolarHBondContact O-N 2.97Å; K49-S53 VanDerWaalsContact O-N 3.12Å; K49-S53 PolarHBondContact O-OG 2.85Å; K49-R164 HydrophobicContact CB-CG 4.48Å; K49-R164 PolarHBondContact O-NH1 2.96Å
50	I	98.3	Very high	98	Very high	14 Å²	14	60.2 Å²	60.2	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-67.9	-49.8	173.6	-69.7	156.2	0	0	0	109.4	Y46 A47 A52 S53 D54 K161 R164 D165 L168	Y46-I50 WeakPolarHBondContact O-CD1 3.41Å; Y46-I50 VanDerWaalsContact O-CG1 3.24Å; Y46-I50 WeakPolarHBondContact O-CG1 3.44Å; Y46-I50 PolarHBondContact O-N 3.05Å; A47-I50 PolarHBondContact O-N 3.35Å; I50-A52 VanDerWaalsContact C-N 3.25Å; I50-A52 PolarHBondContact O-N 3.21Å; I50-S53 WeakPolarHBondContact O-CA 3.22Å; I50-S53 WeakPolarHBondContact O-CB 3.48Å; I50-S53 PolarHBondContact O-N 3.35Å; I50-D54 PolarHBondContact O-N 2.98Å; I50-K161 HydrophobicContact CG2-CG 4.3Å; I50-R164 HydrophobicContact CD1-CB 4.26Å; I50-R164 HydrophobicContact CG1-CB 3.72Å; I50-D165 WeakPolarHBondContact CD1-OD1 3.43Å; I50-D165 WeakPolarHBondContact CG1-OD1 3.42Å; I50-D165 WeakPolarHBondContact CG2-OD1 3.33Å; I50-L168 HydrophobicContact CD1-CB 4.23Å; I50-L168 HydrophobicContact CD1-CD2 3.69Å
51	N	98.5	Very high	97.7	Very high	98 Å²	98	59.9 Å²	59.9	52%	0.524	31%	0.313	S	S	.	.	H	α-helix	trans	-59	-37.4	176.2	-69.7	-20.7	0	0	0	112.3	A47 K48 D54 S55	A47-N51 VanDerWaalsContact O-CG 3.32Å; A47-N51 PolarHBondContact O-N 3.17Å; A47-N51 PolarHBondContact O-ND2 3.24Å; K48-N51 PolarHBondContact O-N 3.28Å; N51-D54 PolarHBondContact O-N 3.25Å; N51-S55 WeakPolarHBondContact O-CB 3.44Å; N51-S55 PolarHBondContact O-N 2.91Å; N51-S55 PolarHBondContact O-OG 3.45Å
52	A	98.4	Very high	97.6	Very high	54 Å²	54	57.8 Å²	57.8	45%	0.446	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-42	174	0	0	0	0	0	112.3	K48 I50 S55 E56	K48-A52 WeakPolarHBondContact O-CB 3.27Å; K48-A52 PolarHBondContact O-N 3.45Å; I50-A52 VanDerWaalsContact C-N 3.25Å; I50-A52 PolarHBondContact O-N 3.21Å; A52-S55 PolarHBondContact O-N 2.65Å; A52-E56 PolarHBondContact O-N 3.16Å
53	S	98.2	Very high	97.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-46.2	173	-71.8	0	0	0	0	111.6	K49 I50 S55 E56 M57 Q157 R164	K49-S53 PolarHBondContact O-N 2.97Å; K49-S53 VanDerWaalsContact O-N 3.12Å; K49-S53 PolarHBondContact O-OG 2.85Å; I50-S53 WeakPolarHBondContact O-CA 3.22Å; I50-S53 WeakPolarHBondContact O-CB 3.48Å; I50-S53 PolarHBondContact O-N 3.35Å; S53-S55 VanDerWaalsContact C-N 3.34Å; S53-S55 PolarHBondContact O-N 3.44Å; S53-E56 PolarHBondContact O-N 2.83Å; S53-M57 WeakPolarHBondContact O-CB 3.44Å; S53-M57 VanDerWaalsContact O-CG 3.31Å; S53-M57 WeakPolarHBondContact O-CG 3.38Å; S53-M57 PolarHBondContact O-N 3.2Å; S53-Q157 PolarHBondContact OG-OE1 3.32Å; S53-R164 PolarHBondContact OG-NH1 2.92Å
54	D	97.9	Very high	97	Very high	55 Å²	55	61 Å²	61	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-43.1	179.3	-79.8	-25.2	0	0	0	111.8	I50 N51 M57 Q58 K161	I50-D54 PolarHBondContact O-N 2.98Å; N51-D54 PolarHBondContact O-N 3.25Å; D54-M57 PolarHBondContact O-N 2.94Å; D54-M57 WeakPolarHBondContact OD1-CE 3.31Å; D54-Q58 WeakPolarHBondContact O-CB 3.28Å; D54-Q58 PolarHBondContact O-N 2.93Å; D54-K161 VanDerWaalsContact OD1-CD 3.29Å; D54-K161 WeakPolarHBondContact OD1-CD 3.45Å; D54-K161 WeakPolarHBondContact OD1-CE 3.39Å; D54-K161 IonicContact OD1-NZ 3.79Å; D54-K161 PolarHBondContact OD1-NZ 2.89Å; D54-K161 IonicContact OD2-NZ 3.29Å; D54-K161 PolarHBondContact OD2-NZ 3.49Å
55	S	98.4	Very high	96.7	Very high	83 Å²	83	59 Å²	59	58%	0.58	31%	0.31	S	S	*	.	H	α-helix	trans	-63.1	-43.6	176.4	-58.5	0	0	0	0	112.1	N51 A52 S53 Q58 S59	N51-S55 WeakPolarHBondContact O-CB 3.44Å; N51-S55 PolarHBondContact O-N 2.91Å; N51-S55 PolarHBondContact O-OG 3.45Å; A52-S55 PolarHBondContact O-N 2.65Å; S53-S55 VanDerWaalsContact C-N 3.34Å; S53-S55 PolarHBondContact O-N 3.44Å; S55-Q58 PolarHBondContact O-N 3.37Å; S55-S59 WeakPolarHBondContact O-CB 3.46Å; S55-S59 PolarHBondContact O-N 3.39Å
56	E	98.1	Very high	96.4	Very high	59 Å²	59	64.9 Å²	64.9	28%	0.276	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-41.6	177.2	-173.3	172.9	172.3	0	0	111.4	A52 S53 Q58 S59 L60 R153 Q157	A52-E56 PolarHBondContact O-N 3.16Å; S53-E56 PolarHBondContact O-N 2.83Å; E56-Q58 PolarHBondContact O-N 2.82Å; E56-S59 PolarHBondContact O-N 3.34Å; E56-L60 HydrophobicContact CG-CD1 3.99Å; E56-L60 HydrophobicContact CG-CG 4.46Å; E56-L60 WeakPolarHBondContact O-CB 3.22Å; E56-L60 VanDerWaalsContact O-CG 3.24Å; E56-L60 WeakPolarHBondContact O-CG 3.5Å; E56-L60 PolarHBondContact O-N 3.2Å; E56-R153 IonicContact OE1-CZ 2.81Å; E56-R153 IonicContact OE1-NH1 2.78Å; E56-R153 PolarHBondContact OE1-NH1 3.44Å; E56-Q157 HydrophobicContact CB-CG 4.19Å; E56-Q157 HydrophobicContact CG-CG 4.09Å; E56-Q157 PolarHBondContact OE1-NE2 3.44Å; E56-Q157 VanDerWaalsContact OE2-CD 3.31Å; E56-Q157 PolarHBondContact OE2-NE2 2.84Å
57	M	95.9	Very high	96.1	Very high	19 Å²	19	67.1 Å²	67.1	9%	0.094	36%	0.36	C	S	.	.	H	α-helix	trans	-59.2	-47.1	174.4	-74.5	-171.9	-63.2	0	0	111.1	S53 D54 L60 R61 Q157 I158 K161	S53-M57 WeakPolarHBondContact O-CB 3.44Å; S53-M57 VanDerWaalsContact O-CG 3.31Å; S53-M57 WeakPolarHBondContact O-CG 3.38Å; S53-M57 PolarHBondContact O-N 3.2Å; D54-M57 PolarHBondContact O-N 2.94Å; D54-M57 WeakPolarHBondContact OD1-CE 3.31Å; M57-L60 PolarHBondContact O-N 3.39Å; M57-R61 VanDerWaalsContact O-CG 3.28Å; M57-R61 WeakPolarHBondContact O-CG 3.34Å; M57-R61 PolarHBondContact O-N 2.9Å; M57-Q157 HydrophobicContact CG-CB 3.36Å; M57-Q157 HydrophobicContact CG-CG 4.19Å; M57-Q157 HydrophobicContact SD-CB 3.93Å; M57-I158 HydrophobicContact SD-CB 4.44Å; M57-I158 HydrophobicContact SD-CG1 3.56Å; M57-I158 VanDerWaalsContact SD-CG1 3.56Å; M57-K161 HydrophobicContact CE-CD 3.85Å
58	Q	96.6	Very high	95.6	Very high	82 Å²	82	68.7 Å²	68.7	38%	0.383	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-45.9	179.3	-170.9	56.5	42.3	0	0	111.5	D54 S55 E56 L60 R61 D62	D54-Q58 WeakPolarHBondContact O-CB 3.28Å; D54-Q58 PolarHBondContact O-N 2.93Å; S55-Q58 PolarHBondContact O-N 3.37Å; E56-Q58 PolarHBondContact O-N 2.82Å; Q58-L60 VanDerWaalsContact C-N 3.28Å; Q58-L60 PolarHBondContact O-N 2.97Å; Q58-R61 WeakPolarHBondContact O-CB 3.49Å; Q58-R61 PolarHBondContact O-N 3.16Å; Q58-R61 VanDerWaalsContact O-N 3.12Å; Q58-R61 VanDerWaalsContact OE1-NH1 3.14Å; Q58-D62 PolarHBondContact NE2-OD1 3.01Å; Q58-D62 PolarHBondContact O-N 3.01Å
59	S	97.6	Very high	95.1	Very high	53 Å²	53	66.4 Å²	66.4	37%	0.371	36%	0.363	S	S	.	.	H	α-helix	trans	-58	-39.4	175.7	-175.7	0	0	0	0	112.8	S55 E56 K63	S55-S59 WeakPolarHBondContact O-CB 3.46Å; S55-S59 PolarHBondContact O-N 3.39Å; E56-S59 PolarHBondContact O-N 3.34Å; S59-K63 WeakPolarHBondContact O-CG 3.39Å; S59-K63 PolarHBondContact O-N 2.91Å; S59-K63 VanDerWaalsContact O-N 3.14Å
60	L	94.9	Very high	94.5	Very high	7 Å²	7	70 Å²	70	4%	0.037	38%	0.38	C	S	.	.	H	α-helix	trans	-69.7	-39.8	176.5	-70.2	166.3	0	0	0	112	E56 M57 Q58 K63 I64 N150 R153 I154	E56-L60 HydrophobicContact CG-CD1 3.99Å; E56-L60 HydrophobicContact CG-CG 4.46Å; E56-L60 WeakPolarHBondContact O-CB 3.22Å; E56-L60 VanDerWaalsContact O-CG 3.24Å; E56-L60 WeakPolarHBondContact O-CG 3.5Å; E56-L60 PolarHBondContact O-N 3.2Å; M57-L60 PolarHBondContact O-N 3.39Å; Q58-L60 VanDerWaalsContact C-N 3.28Å; Q58-L60 PolarHBondContact O-N 2.97Å; L60-K63 PolarHBondContact O-N 3.41Å; L60-I64 VanDerWaalsContact O-CG1 3.29Å; L60-I64 WeakPolarHBondContact O-CG1 3.3Å; L60-I64 PolarHBondContact O-N 2.75Å; L60-I64 VanDerWaalsContact O-N 3.09Å; L60-N150 HydrophobicContact CD2-CB 4.17Å; L60-R153 HydrophobicContact CD1-CB 3.52Å; L60-R153 HydrophobicContact CD2-CB 4.41Å; L60-I154 HydrophobicContact CB-CD1 3.96Å; L60-I154 HydrophobicContact CB-CG1 3.7Å; L60-I154 HydrophobicContact CD1-CG1 3.9Å; L60-I154 HydrophobicContact CG-CG1 4.45Å
61	R	93.1	Very high	93.8	Very high	79 Å²	79	72.1 Å²	72.1	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-59.9	-48.1	173.8	-69	173.7	77.3	-155	6.5	110.3	M57 Q58 K63 I64 T65 M72 D76 I154	M57-R61 VanDerWaalsContact O-CG 3.28Å; M57-R61 WeakPolarHBondContact O-CG 3.34Å; M57-R61 PolarHBondContact O-N 2.9Å; Q58-R61 WeakPolarHBondContact O-CB 3.49Å; Q58-R61 PolarHBondContact O-N 3.16Å; Q58-R61 VanDerWaalsContact O-N 3.12Å; Q58-R61 VanDerWaalsContact OE1-NH1 3.14Å; R61-K63 VanDerWaalsContact C-N 3.33Å; R61-K63 PolarHBondContact O-N 3.19Å; R61-I64 PolarHBondContact O-N 3.3Å; R61-T65 PolarHBondContact O-N 2.79Å; R61-T65 PolarHBondContact O-OG1 2.94Å; R61-M72 HydrophobicContact CB-CE 4.02Å; R61-M72 HydrophobicContact CB-SD 4.31Å; R61-M72 HydrophobicContact CG-CE 3.73Å; R61-D76 IonicContact CZ-OD1 3.42Å; R61-D76 IonicContact NE-OD1 3.61Å; R61-D76 PolarHBondContact NE-OD1 3.13Å; R61-D76 IonicContact NH2-OD1 2.72Å; R61-D76 PolarHBondContact NH2-OD1 2.94Å; R61-D76 IonicContact NH2-OD2 3.79Å; R61-I154 HydrophobicContact CG-CD1 4.17Å
62	D	94.7	Very high	93.3	Very high	87 Å²	87	68.1 Å²	68.1	47%	0.465	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-42.6	179.6	-62.6	-21.3	0	0	0	112.1	Q58 I64 T65 K66	Q58-D62 PolarHBondContact NE2-OD1 3.01Å; Q58-D62 PolarHBondContact O-N 3.01Å; D62-I64 VanDerWaalsContact C-N 3.32Å; D62-I64 PolarHBondContact O-N 3.17Å; D62-T65 PolarHBondContact O-N 2.64Å; D62-K66 WeakPolarHBondContact O-CB 3.45Å; D62-K66 PolarHBondContact O-N 3.45Å
63	K	93.8	Very high	92.7	Very high	124 Å²	124	71.6 Å²	71.6	54%	0.539	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-40.5	174.9	-74.7	173.1	-175.4	174.9	0	112.2	S59 L60 R61 A67	S59-K63 WeakPolarHBondContact O-CG 3.39Å; S59-K63 PolarHBondContact O-N 2.91Å; S59-K63 VanDerWaalsContact O-N 3.14Å; L60-K63 PolarHBondContact O-N 3.41Å; R61-K63 VanDerWaalsContact C-N 3.33Å; R61-K63 PolarHBondContact O-N 3.19Å; K63-A67 WeakPolarHBondContact O-CB 3.48Å; K63-A67 PolarHBondContact O-N 3.13Å
64	I	91	Very high	92.2	Very high	10 Å²	10	75.2 Å²	75.2	5%	0.051	39%	0.392	C	S	.	.	H	α-helix	trans	-73.3	-46	179.4	-61.5	166.3	0	0	0	110.6	L60 R61 D62 K66 A67 D68 M72 I75 N150 V151 I154	L60-I64 VanDerWaalsContact O-CG1 3.29Å; L60-I64 WeakPolarHBondContact O-CG1 3.3Å; L60-I64 PolarHBondContact O-N 2.75Å; L60-I64 VanDerWaalsContact O-N 3.09Å; R61-I64 PolarHBondContact O-N 3.3Å; D62-I64 VanDerWaalsContact C-N 3.32Å; D62-I64 PolarHBondContact O-N 3.17Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 2.78Å; I64-A67 PolarHBondContact O-N 2.92Å; I64-D68 CarbonylContact O-C 3.56Å; I64-D68 PolarHBondContact O-N 3.18Å; I64-M72 HydrophobicContact CB-SD 4.35Å; I64-M72 HydrophobicContact CG2-SD 4.36Å; I64-I75 HydrophobicContact CB-CD1 4.26Å; I64-I75 HydrophobicContact CD1-CD1 3.73Å; I64-I75 HydrophobicContact CG1-CD1 4.46Å; I64-I75 HydrophobicContact CG2-CD1 3.37Å; I64-N150 HydrophobicContact CD1-CB 3.75Å; I64-N150 HydrophobicContact CG1-CB 3.94Å; I64-V151 HydrophobicContact CD1-CG2 4.47Å; I64-I154 HydrophobicContact CD1-CD1 3.81Å
65	T	92.8	Very high	91.8	Very high	57 Å²	57	72.7 Å²	72.7	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-55.2	-42.8	176.5	-57.8	0	0	0	0	111.4	R61 D62 A67 P69 M72	R61-T65 PolarHBondContact O-N 2.79Å; R61-T65 PolarHBondContact O-OG1 2.94Å; D62-T65 PolarHBondContact O-N 2.64Å; T65-A67 VanDerWaalsContact C-N 3.34Å; T65-A67 PolarHBondContact O-N 2.9Å; T65-P69 VanDerWaalsContact O-CD 3.28Å; T65-P69 WeakPolarHBondContact O-CD 3.27Å; T65-P69 VanDerWaalsContact O-CG 3.26Å; T65-P69 WeakPolarHBondContact O-CG 3.22Å; T65-M72 VanDerWaalsContact OG1-CG 3.31Å; T65-M72 WeakPolarHBondContact OG1-CG 3.2Å; T65-M72 PolarHBondContact OG1-SD 3.26Å
66	K	93.1	Very high	91.5	Very high	192 Å²	192	71.3 Å²	71.3	84%	0.835	37%	0.365	S	S	*	.	H	α-helix	trans	-65.8	-35.3	177.3	-175	174.8	179.5	177.3	0	112.9	D62 I64	D62-K66 WeakPolarHBondContact O-CB 3.45Å; D62-K66 PolarHBondContact O-N 3.45Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 2.78Å
67	A	90.9	Very high	91.1	Very high	87 Å²	87	75.5 Å²	75.5	72%	0.719	38%	0.378	S	S	*	.	H	α-helix	trans	-81.2	-37.3	-179.1	0	0	0	0	0	112.8	K63 I64 T65	K63-A67 WeakPolarHBondContact O-CB 3.48Å; K63-A67 PolarHBondContact O-N 3.13Å; I64-A67 PolarHBondContact O-N 2.92Å; T65-A67 VanDerWaalsContact C-N 3.34Å; T65-A67 PolarHBondContact O-N 2.9Å
68	D	88.6	Confident	90.9	Very high	66 Å²	66	75.1 Å²	75.1	35%	0.353	38%	0.375	S	S	.	.			trans	-159	90	-175.6	-174.1	-16.6	0	0	0	110.5	I64 Q70 K71 M72	I64-D68 CarbonylContact O-C 3.56Å; I64-D68 PolarHBondContact O-N 3.18Å; D68-Q70 VanDerWaalsContact C-N 3.31Å; D68-Q70 PolarHBondContact O-N 2.96Å; D68-Q70 PolarHBondContact OD1-N 3.41Å; D68-K71 HydrophobicContact CB-CB 3.89Å; D68-K71 HydrophobicContact CB-CD 4.32Å; D68-K71 PolarHBondContact O-N 3.26Å; D68-K71 WeakPolarHBondContact OD1-CB 3.19Å; D68-K71 PolarHBondContact OD1-N 3.3Å; D68-K71 VanDerWaalsContact OD2-CB 3.29Å; D68-K71 WeakPolarHBondContact OD2-CB 3.37Å; D68-M72 PolarHBondContact O-N 3.42Å
69	P	87	Confident	90.7	Very high	92 Å²	92	72.2 Å²	72.2	60%	0.597	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-36.7	-179.2	-21.4	29	0	0	0	113.4	T65 K71 M72	T65-P69 VanDerWaalsContact O-CD 3.28Å; T65-P69 WeakPolarHBondContact O-CD 3.27Å; T65-P69 VanDerWaalsContact O-CG 3.26Å; T65-P69 WeakPolarHBondContact O-CG 3.22Å; P69-K71 VanDerWaalsContact C-N 3.3Å; P69-K71 PolarHBondContact O-N 3.42Å; P69-M72 VanDerWaalsContact O-CB 3.22Å; P69-M72 WeakPolarHBondContact O-CB 3.4Å; P69-M72 PolarHBondContact O-N 2.94Å; P69-M72 VanDerWaalsContact O-N 3.11Å
70	Q	86	Confident	90.5	Very high	151 Å²	151	73.5 Å²	73.5	71%	0.706	37%	0.369	S	S	*	.	H	α-helix	trans	-67.2	-35.8	-176.9	-174.3	62.1	18.4	0	0	111.1	D68 M72	D68-Q70 VanDerWaalsContact C-N 3.31Å; D68-Q70 PolarHBondContact O-N 2.96Å; D68-Q70 PolarHBondContact OD1-N 3.41Å; Q70-M72 PolarHBondContact O-N 2.98Å
71	K	84	Confident	90.3	Very high	60 Å²	60	74.2 Å²	74.2	26%	0.261	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-25.1	174.6	-173.7	174	-172.2	166.4	0	113.3	D68 P69 K73 N74 I75	D68-K71 HydrophobicContact CB-CB 3.89Å; D68-K71 HydrophobicContact CB-CD 4.32Å; D68-K71 PolarHBondContact O-N 3.26Å; D68-K71 WeakPolarHBondContact OD1-CB 3.19Å; D68-K71 PolarHBondContact OD1-N 3.3Å; D68-K71 VanDerWaalsContact OD2-CB 3.29Å; D68-K71 WeakPolarHBondContact OD2-CB 3.37Å; P69-K71 VanDerWaalsContact C-N 3.3Å; P69-K71 PolarHBondContact O-N 3.42Å; K71-K73 VanDerWaalsContact C-N 3.28Å; K71-K73 PolarHBondContact O-N 2.89Å; K71-N74 PolarHBondContact O-N 3.05Å; K71-I75 HydrophobicContact CG-CD1 3.98Å; K71-I75 PolarHBondContact O-N 3.24Å
72	M	88.2	Confident	90.3	Very high	13 Å²	13	71.2 Å²	71.2	6%	0.064	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-35.9	-179.1	-164.8	60.5	-133.1	0	0	112.5	R61 I64 T65 D68 P69 Q70 N74 I75 D76	R61-M72 HydrophobicContact CB-CE 4.02Å; R61-M72 HydrophobicContact CB-SD 4.31Å; R61-M72 HydrophobicContact CG-CE 3.73Å; I64-M72 HydrophobicContact CB-SD 4.35Å; I64-M72 HydrophobicContact CG2-SD 4.36Å; T65-M72 VanDerWaalsContact OG1-CG 3.31Å; T65-M72 WeakPolarHBondContact OG1-CG 3.2Å; T65-M72 PolarHBondContact OG1-SD 3.26Å; D68-M72 PolarHBondContact O-N 3.42Å; P69-M72 VanDerWaalsContact O-CB 3.22Å; P69-M72 WeakPolarHBondContact O-CB 3.4Å; P69-M72 PolarHBondContact O-N 2.94Å; P69-M72 VanDerWaalsContact O-N 3.11Å; Q70-M72 PolarHBondContact O-N 2.98Å; M72-N74 VanDerWaalsContact C-N 3.31Å; M72-N74 PolarHBondContact O-N 2.7Å; M72-I75 HydrophobicContact CE-CB 3.89Å; M72-I75 HydrophobicContact CE-CG2 3.61Å; M72-I75 CarbonylContact O-C 3.56Å; M72-I75 WeakPolarHBondContact O-CA 3.47Å; M72-I75 WeakPolarHBondContact O-CB 3.47Å; M72-I75 PolarHBondContact O-N 3.36Å; M72-I75 HydrophobicContact SD-CB 4.32Å; M72-I75 HydrophobicContact SD-CD1 4.49Å; M72-I75 HydrophobicContact SD-CG2 4.35Å; M72-D76 WeakPolarHBondContact CE-OD1 3.41Å; M72-D76 PolarHBondContact O-N 3.48Å
73	K	86.7	Confident	90.2	Very high	127 Å²	127	68 Å²	68	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-58.7	-40.5	178.1	-173.7	177.7	-177.8	177	0	113	K71 R77	K71-K73 VanDerWaalsContact C-N 3.28Å; K71-K73 PolarHBondContact O-N 2.89Å; K73-R77 PolarHBondContact O-N 3.36Å
74	N	88	Confident	90	Very high	76 Å²	76	66.5 Å²	66.5	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-71	-35.3	177	-71	-15.3	0	0	0	111.2	K71 M72 R77 Y78	K71-N74 PolarHBondContact O-N 3.05Å; M72-N74 VanDerWaalsContact C-N 3.31Å; M72-N74 PolarHBondContact O-N 2.7Å; N74-R77 PolarHBondContact O-N 2.88Å; N74-Y78 WeakPolarHBondContact O-CB 3.32Å; N74-Y78 PolarHBondContact O-N 2.99Å
75	I	88.8	Confident	90	Very high	3 Å²	3	68 Å²	68	2%	0.015	35%	0.348	C	S	.	.	H	α-helix	trans	-69.4	-37.8	177	-66.8	162.5	0	0	0	111.4	I64 K71 M72 Y78 T79 I144 V151 I154	I64-I75 HydrophobicContact CB-CD1 4.26Å; I64-I75 HydrophobicContact CD1-CD1 3.73Å; I64-I75 HydrophobicContact CG1-CD1 4.46Å; I64-I75 HydrophobicContact CG2-CD1 3.37Å; K71-I75 HydrophobicContact CG-CD1 3.98Å; K71-I75 PolarHBondContact O-N 3.24Å; M72-I75 HydrophobicContact CE-CB 3.89Å; M72-I75 HydrophobicContact CE-CG2 3.61Å; M72-I75 CarbonylContact O-C 3.56Å; M72-I75 WeakPolarHBondContact O-CA 3.47Å; M72-I75 WeakPolarHBondContact O-CB 3.47Å; M72-I75 PolarHBondContact O-N 3.36Å; M72-I75 HydrophobicContact SD-CB 4.32Å; M72-I75 HydrophobicContact SD-CD1 4.49Å; M72-I75 HydrophobicContact SD-CG2 4.35Å; I75-Y78 PolarHBondContact O-N 2.75Å; I75-T79 VanDerWaalsContact O-CB 3.3Å; I75-T79 WeakPolarHBondContact O-CB 3.45Å; I75-T79 PolarHBondContact O-N 3.49Å; I75-T79 PolarHBondContact O-OG1 2.93Å; I75-I144 HydrophobicContact CG1-CD1 4.43Å; I75-V151 HydrophobicContact CD1-CG2 4.14Å; I75-V151 HydrophobicContact CG1-CG2 4.15Å; I75-I154 HydrophobicContact CG2-CD1 4.09Å
76	D	91.5	Very high	90	Very high	54 Å²	54	66.4 Å²	66.4	29%	0.289	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-48.2	174.8	-75.9	-27.3	0	0	0	110.6	R61 M72 Y78 T79 T80	R61-D76 IonicContact CZ-OD1 3.42Å; R61-D76 IonicContact NE-OD1 3.61Å; R61-D76 PolarHBondContact NE-OD1 3.13Å; R61-D76 IonicContact NH2-OD1 2.72Å; R61-D76 PolarHBondContact NH2-OD1 2.94Å; R61-D76 IonicContact NH2-OD2 3.79Å; M72-D76 WeakPolarHBondContact CE-OD1 3.41Å; M72-D76 PolarHBondContact O-N 3.48Å; D76-Y78 VanDerWaalsContact C-N 3.3Å; D76-Y78 PolarHBondContact O-N 3.49Å; D76-T79 PolarHBondContact O-N 3.26Å; D76-T79 VanDerWaalsContact O-N 3.14Å; D76-T80 PolarHBondContact O-N 3.05Å; D76-T80 PolarHBondContact O-OG1 3.21Å
77	R	90.8	Very high	89.9	Confident	147 Å²	147	60 Å²	60	56%	0.555	31%	0.31	S	S	*	.	H	α-helix	trans	-57.1	-44.1	174.2	-75.7	-179.6	161.1	-168.5	-7.4	112.2	K73 N74 C81 L143	K73-R77 PolarHBondContact O-N 3.36Å; N74-R77 PolarHBondContact O-N 2.88Å; R77-C81 VanDerWaalsContact O-CB 3.32Å; R77-C81 WeakPolarHBondContact O-CB 3.38Å; R77-C81 PolarHBondContact O-N 2.81Å; R77-L143 HydrophobicContact CB-CD1 4.22Å
78	Y	91.5	Very high	89.9	Confident	10 Å²	10	56 Å²	56	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-48	174.7	173.4	-99.2	0	0	0	111.8	N74 I75 D76 T80 C81 R82 C140 I144 V151 N155	N74-Y78 WeakPolarHBondContact O-CB 3.32Å; N74-Y78 PolarHBondContact O-N 2.99Å; I75-Y78 PolarHBondContact O-N 2.75Å; D76-Y78 VanDerWaalsContact C-N 3.3Å; D76-Y78 PolarHBondContact O-N 3.49Å; Y78-T80 PolarHBondContact O-N 3.49Å; Y78-C81 PolarHBondContact O-N 3.37Å; Y78-R82 HydrophobicContact CD1-CG 3.97Å; Y78-R82 HydrophobicContact CD2-CG 4.02Å; Y78-R82 HydrophobicContact CE1-CG 3.61Å; Y78-R82 HydrophobicContact CE2-CG 3.66Å; Y78-R82 HydrophobicContact CG-CG 4.17Å; Y78-R82 VanDerWaalsContact CZ-CG 3.44Å; Y78-R82 WeakPolarHBondContact O-CB 3.41Å; Y78-R82 VanDerWaalsContact O-CG 3.23Å; Y78-R82 WeakPolarHBondContact O-CG 3.43Å; Y78-R82 PolarHBondContact O-N 3.18Å; Y78-C140 HydrophobicContact CD2-CB 4.45Å; Y78-C140 VanDerWaalsContact CD2-O 3.27Å; Y78-C140 WeakPolarHBondContact CD2-O 3.29Å; Y78-C140 HydrophobicContact CE2-CB 4.5Å; Y78-I144 VanDerWaalsContact CB-CD1 3.48Å; Y78-I144 HydrophobicContact CD1-CD1 3.34Å; Y78-I144 HydrophobicContact CD1-CG1 4.33Å; Y78-I144 HydrophobicContact CD2-CB 4.48Å; Y78-I144 HydrophobicContact CD2-CD1 3.51Å; Y78-I144 HydrophobicContact CD2-CG1 3.64Å; Y78-I144 HydrophobicContact CE1-CD1 3.84Å; Y78-I144 HydrophobicContact CE2-CD1 4.01Å; Y78-I144 HydrophobicContact CE2-CG1 4.32Å; Y78-I144 HydrophobicContact CG-CD1 3.14Å; Y78-I144 HydrophobicContact CG-CG1 3.64Å; Y78-V151 HydrophobicContact CE1-CG1 4.2Å; Y78-N155 HydrophobicContact CE1-CB 4.15Å; Y78-N155 WeakPolarHBondContact OH-CB 3.35Å; Y78-N155 PolarHBondContact OH-ND2 3.48Å
79	T	92	Very high	89.9	Confident	22 Å²	22	54.7 Å²	54.7	14%	0.135	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-47.2	-178.6	-58.4	0	0	0	0	110.1	I75 D76 C81 R82 S83 I158	I75-T79 VanDerWaalsContact O-CB 3.3Å; I75-T79 WeakPolarHBondContact O-CB 3.45Å; I75-T79 PolarHBondContact O-N 3.49Å; I75-T79 PolarHBondContact O-OG1 2.93Å; D76-T79 PolarHBondContact O-N 3.26Å; D76-T79 VanDerWaalsContact O-N 3.14Å; T79-C81 PolarHBondContact O-N 2.96Å; T79-R82 PolarHBondContact O-N 3.5Å; T79-S83 WeakPolarHBondContact O-CB 3.17Å; T79-S83 PolarHBondContact O-N 3.02Å; T79-S83 PolarHBondContact O-OG 3.32Å; T79-I158 HydrophobicContact CG2-CD1 3.55Å; T79-I158 HydrophobicContact CG2-CG1 4.19Å
80	T	92.6	Very high	90.2	Very high	80 Å²	80	50.8 Å²	50.8	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-56.7	-50.5	173.5	-60.7	0	0	0	0	111.6	D76 Y78 R82 S83 E84	D76-T80 PolarHBondContact O-N 3.05Å; D76-T80 PolarHBondContact O-OG1 3.21Å; Y78-T80 PolarHBondContact O-N 3.49Å; T80-R82 VanDerWaalsContact C-N 3.34Å; T80-R82 PolarHBondContact O-N 3.36Å; T80-S83 WeakPolarHBondContact O-CB 3.35Å; T80-S83 PolarHBondContact O-N 3.19Å; T80-E84 WeakPolarHBondContact O-CG 3.27Å; T80-E84 PolarHBondContact O-N 2.82Å
81	C	91.9	Very high	90.5	Very high	21 Å²	21	44 Å²	44	14%	0.142	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-44.4	179.1	-172.1	0	0	0	0	112.2	R77 Y78 T79 E84 Y85 C140 L143	R77-C81 VanDerWaalsContact O-CB 3.32Å; R77-C81 WeakPolarHBondContact O-CB 3.38Å; R77-C81 PolarHBondContact O-N 2.81Å; Y78-C81 PolarHBondContact O-N 3.37Å; T79-C81 PolarHBondContact O-N 2.96Å; C81-E84 PolarHBondContact O-N 3.37Å; C81-Y85 PolarHBondContact O-N 2.9Å; C81-C140 HydrophobicContact CB-CB 3.88Å; C81-C140 WeakPolarHBondContact CB-SG 3.18Å; C81-C140 PolarHBondContact O-SG 2.83Å; C81-C140 VanDerWaalsContact O-SG 3.39Å; C81-C140 WeakPolarHBondContact SG-CA 3.38Å; C81-C140 WeakPolarHBondContact SG-CB 3.42Å; C81-C140 CovalentContact SG-SG 2.03Å; C81-C140 PolarHBondContact SG-SG 3.16Å; C81-L143 HydrophobicContact CB-CD1 3.94Å
82	R	91.7	Very high	90.9	Very high	16 Å²	16	44.1 Å²	44.1	6%	0.06	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-40.4	177.3	-68.2	-61.1	-65.7	160.4	-9.9	112.2	Y78 T79 T80 Y85 W86 D137 C140 N155 I158	Y78-R82 HydrophobicContact CD1-CG 3.97Å; Y78-R82 HydrophobicContact CD2-CG 4.02Å; Y78-R82 HydrophobicContact CE1-CG 3.61Å; Y78-R82 HydrophobicContact CE2-CG 3.66Å; Y78-R82 HydrophobicContact CG-CG 4.17Å; Y78-R82 VanDerWaalsContact CZ-CG 3.44Å; Y78-R82 WeakPolarHBondContact O-CB 3.41Å; Y78-R82 VanDerWaalsContact O-CG 3.23Å; Y78-R82 WeakPolarHBondContact O-CG 3.43Å; Y78-R82 PolarHBondContact O-N 3.18Å; T79-R82 PolarHBondContact O-N 3.5Å; T80-R82 VanDerWaalsContact C-N 3.34Å; T80-R82 PolarHBondContact O-N 3.36Å; R82-Y85 WeakPolarHBondContact O-CB 3.4Å; R82-Y85 PolarHBondContact O-N 3.28Å; R82-W86 PolarHBondContact O-N 2.98Å; R82-D137 IonicContact CZ-OD1 3.84Å; R82-D137 IonicContact NH1-OD1 2.75Å; R82-D137 PolarHBondContact NH1-OD1 2.98Å; R82-C140 HydrophobicContact CG-CB 4.35Å; R82-N155 PolarHBondContact NE-OD1 2.79Å; R82-N155 PolarHBondContact NH2-OD1 3.41Å; R82-I158 HydrophobicContact CB-CD1 3.86Å; R82-I158 HydrophobicContact CB-CG2 4.13Å
83	S	93.3	Very high	91.1	Very high	19 Å²	19	47.3 Å²	47.3	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-48.2	175.4	-69.6	0	0	0	0	111.1	T79 T80 Y85 W86 I87 Y162	T79-S83 WeakPolarHBondContact O-CB 3.17Å; T79-S83 PolarHBondContact O-N 3.02Å; T79-S83 PolarHBondContact O-OG 3.32Å; T80-S83 WeakPolarHBondContact O-CB 3.35Å; T80-S83 PolarHBondContact O-N 3.19Å; S83-Y85 VanDerWaalsContact C-N 3.32Å; S83-Y85 PolarHBondContact O-N 3.44Å; S83-W86 PolarHBondContact O-N 3.18Å; S83-I87 WeakPolarHBondContact O-CB 3.46Å; S83-I87 VanDerWaalsContact O-CG1 3.22Å; S83-I87 WeakPolarHBondContact O-CG1 3.44Å; S83-I87 PolarHBondContact O-N 3.23Å; S83-Y162 WeakPolarHBondContact CB-OH 3.42Å; S83-Y162 WeakPolarHBondContact OG-CE2 3.49Å
84	E	90.5	Very high	91.5	Very high	93 Å²	93	41.8 Å²	41.8	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-57.5	-44.9	175.3	-73.1	176.9	-168.7	0	0	111.8	T80 C81 W86 I87 S88	T80-E84 WeakPolarHBondContact O-CG 3.27Å; T80-E84 PolarHBondContact O-N 2.82Å; C81-E84 PolarHBondContact O-N 3.37Å; E84-W86 PolarHBondContact O-N 2.52Å; E84-I87 PolarHBondContact O-N 3.25Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 2.81Å
85	Y	90.6	Very high	91.7	Very high	42 Å²	42	39.4 Å²	39.4	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-56.2	-49.8	175	168.7	-92.6	0	0	0	112	C81 R82 S83 S88 L89 M133 D137	C81-Y85 PolarHBondContact O-N 2.9Å; R82-Y85 WeakPolarHBondContact O-CB 3.4Å; R82-Y85 PolarHBondContact O-N 3.28Å; S83-Y85 VanDerWaalsContact C-N 3.32Å; S83-Y85 PolarHBondContact O-N 3.44Å; Y85-S88 PolarHBondContact O-N 3.47Å; Y85-L89 HydrophobicContact CE1-CD2 4.16Å; Y85-L89 WeakPolarHBondContact O-CB 3.18Å; Y85-L89 PolarHBondContact O-N 3.23Å; Y85-L89 VanDerWaalsContact O-N 3.1Å; Y85-M133 HydrophobicContact CD2-CB 4.42Å; Y85-M133 HydrophobicContact CD2-CG 4.17Å; Y85-M133 HydrophobicContact CE2-CB 4.21Å; Y85-M133 HydrophobicContact CE2-CG 4.19Å; Y85-D137 HydrophobicContact CD2-CB 4.11Å; Y85-D137 HydrophobicContact CE2-CB 3.95Å
86	W	92.5	Very high	92	Very high	24 Å²	24	42 Å²	42	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-70	-39	-178.1	-80.8	106.3	0	0	0	112.7	R82 S83 E84 S88 L89 T90 I158 K159 Y162 I163	R82-W86 PolarHBondContact O-N 2.98Å; S83-W86 PolarHBondContact O-N 3.18Å; E84-W86 PolarHBondContact O-N 2.52Å; W86-S88 VanDerWaalsContact C-N 3.34Å; W86-S88 PolarHBondContact O-N 2.9Å; W86-L89 HydrophobicContact CE3-CD2 3.96Å; W86-L89 HydrophobicContact CH2-CD2 4.21Å; W86-L89 HydrophobicContact CZ3-CD2 3.64Å; W86-L89 PolarHBondContact O-N 3.19Å; W86-T90 HydrophobicContact CE3-CG2 4.33Å; W86-T90 WeakPolarHBondContact O-CG2 3.38Å; W86-T90 PolarHBondContact O-N 2.94Å; W86-T90 PolarHBondContact O-OG1 3.36Å; W86-I158 HydrophobicContact CG-CG2 4.46Å; W86-K159 HydrophobicContact CD2-CB 4.19Å; W86-K159 HydrophobicContact CD2-CG 4.25Å; W86-K159 HydrophobicContact CE3-CG 4.33Å; W86-K159 HydrophobicContact CH2-CB 4.34Å; W86-K159 HydrophobicContact CH2-CD 3.57Å; W86-K159 HydrophobicContact CH2-CG 3.56Å; W86-K159 HydrophobicContact CZ2-CB 3.71Å; W86-K159 HydrophobicContact CZ2-CD 3.45Å; W86-K159 VanDerWaalsContact CZ2-CD 3.45Å; W86-K159 HydrophobicContact CZ2-CG 3.41Å; W86-K159 VanDerWaalsContact CZ2-CG 3.41Å; W86-K159 HydrophobicContact CZ3-CD 4.43Å; W86-K159 HydrophobicContact CZ3-CG 3.99Å; W86-Y162 HydrophobicContact CB-CD2 3.63Å; W86-Y162 HydrophobicContact CB-CG 3.89Å; W86-I163 HydrophobicContact CZ3-CD1 4.28Å; W86-I163 HydrophobicContact CZ3-CG1 4.36Å
87	I	91.5	Very high	92.2	Very high	57 Å²	57	41.7 Å²	41.7	29%	0.292	21%	0.214	S	C	.	.	H	α-helix	trans	-55.6	-50.9	173.5	-72	164.3	0	0	0	110.2	S83 E84 L89 T90 A91 N126 Y162	S83-I87 WeakPolarHBondContact O-CB 3.46Å; S83-I87 VanDerWaalsContact O-CG1 3.22Å; S83-I87 WeakPolarHBondContact O-CG1 3.44Å; S83-I87 PolarHBondContact O-N 3.23Å; E84-I87 PolarHBondContact O-N 3.25Å; I87-L89 VanDerWaalsContact C-N 3.26Å; I87-L89 PolarHBondContact O-N 3.4Å; I87-T90 PolarHBondContact O-OG1 2.78Å; I87-A91 WeakPolarHBondContact O-CB 3.19Å; I87-A91 PolarHBondContact O-N 3.41Å; I87-N126 HydrophobicContact CG2-CB 4.41Å; I87-Y162 HydrophobicContact CD1-CE1 3.73Å; I87-Y162 HydrophobicContact CG1-CD1 3.6Å; I87-Y162 HydrophobicContact CG1-CE1 3.18Å; I87-Y162 HydrophobicContact CG1-CE2 4.34Å; I87-Y162 HydrophobicContact CG1-CG 4.34Å
88	S	89.4	Confident	92.4	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-38.5	-179.5	-54.4	0	0	0	0	111.1	E84 Y85 W86 T92 S129 M133	E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 2.81Å; Y85-S88 PolarHBondContact O-N 3.47Å; W86-S88 VanDerWaalsContact C-N 3.34Å; W86-S88 PolarHBondContact O-N 2.9Å; S88-T92 PolarHBondContact O-N 3.31Å; S88-T92 PolarHBondContact O-OG1 2.98Å; S88-S129 PolarHBondContact OG-OG 3.46Å; S88-M133 WeakPolarHBondContact O-CE 3.37Å
89	L	90.4	Very high	92.5	Very high	39 Å²	39	38.1 Å²	38.1	20%	0.204	20%	0.204	C	C	.	.	H	α-helix	trans	-72.2	-47.1	-174.9	179.6	60.9	0	0	0	110.9	Y85 W86 I87 A91 T92 Q93 M133	Y85-L89 HydrophobicContact CE1-CD2 4.16Å; Y85-L89 WeakPolarHBondContact O-CB 3.18Å; Y85-L89 PolarHBondContact O-N 3.23Å; Y85-L89 VanDerWaalsContact O-N 3.1Å; W86-L89 HydrophobicContact CE3-CD2 3.96Å; W86-L89 HydrophobicContact CH2-CD2 4.21Å; W86-L89 HydrophobicContact CZ3-CD2 3.64Å; W86-L89 PolarHBondContact O-N 3.19Å; I87-L89 VanDerWaalsContact C-N 3.26Å; I87-L89 PolarHBondContact O-N 3.4Å; L89-A91 VanDerWaalsContact C-N 3.31Å; L89-T92 PolarHBondContact O-N 3.47Å; L89-Q93 WeakPolarHBondContact O-CG 3.24Å; L89-Q93 PolarHBondContact O-N 3.08Å; L89-M133 HydrophobicContact CB-CE 3.68Å; L89-M133 HydrophobicContact CB-SD 4.42Å; L89-M133 HydrophobicContact CD1-CE 4.35Å; L89-M133 HydrophobicContact CD1-SD 4.25Å
90	T	93.2	Very high	92.7	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-72.2	-28.3	179.7	59.4	0	0	0	0	111.6	W86 I87 Q93 F94 Y162 I163 K166	W86-T90 HydrophobicContact CE3-CG2 4.33Å; W86-T90 WeakPolarHBondContact O-CG2 3.38Å; W86-T90 PolarHBondContact O-N 2.94Å; W86-T90 PolarHBondContact O-OG1 3.36Å; I87-T90 PolarHBondContact O-OG1 2.78Å; T90-Q93 PolarHBondContact O-N 3.26Å; T90-F94 WeakPolarHBondContact O-CB 3.38Å; T90-F94 PolarHBondContact O-N 3.15Å; T90-Y162 WeakPolarHBondContact CG2-O 3.26Å; T90-I163 HydrophobicContact CG2-CG1 4.5Å; T90-K166 HydrophobicContact CG2-CB 4.43Å
91	A	92	Very high	92.9	Very high	9 Å²	9	39.3 Å²	39.3	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-44.9	170.6	0	0	0	0	0	112.4	I87 L89 F94 L95 I123 N126 A127	I87-A91 WeakPolarHBondContact O-CB 3.19Å; I87-A91 PolarHBondContact O-N 3.41Å; L89-A91 VanDerWaalsContact C-N 3.31Å; A91-F94 PolarHBondContact O-N 3.46Å; A91-L95 PolarHBondContact O-N 3.03Å; A91-I123 HydrophobicContact CB-CG2 4.11Å; A91-I123 WeakPolarHBondContact O-CG2 2.97Å; A91-N126 HydrophobicContact CB-CB 3.75Å; A91-A127 HydrophobicContact CB-CB 4.31Å
92	T	91	Very high	93.1	Very high	62 Å²	62	38.7 Å²	38.7	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-62.8	-42.9	175.9	-58.2	0	0	0	0	111.9	S88 L89 S96	S88-T92 PolarHBondContact O-N 3.31Å; S88-T92 PolarHBondContact O-OG1 2.98Å; L89-T92 PolarHBondContact O-N 3.47Å; T92-S96 PolarHBondContact O-N 3.06Å
93	Q	93.7	Very high	93.3	Very high	80 Å²	80	42.4 Å²	42.4	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-64.3	-46.1	176.9	-69.1	173.4	-14	0	0	111.5	L89 T90 L95 S96 D97 K166	L89-Q93 WeakPolarHBondContact O-CG 3.24Å; L89-Q93 PolarHBondContact O-N 3.08Å; T90-Q93 PolarHBondContact O-N 3.26Å; Q93-L95 VanDerWaalsContact C-N 3.34Å; Q93-L95 PolarHBondContact O-N 2.78Å; Q93-S96 PolarHBondContact O-N 2.87Å; Q93-D97 VanDerWaalsContact O-CG 3.27Å; Q93-D97 PolarHBondContact O-N 3.01Å; Q93-K166 HydrophobicContact CB-CD 3.77Å
94	F	94.2	Very high	93.4	Very high	11 Å²	11	44.6 Å²	44.6	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-45.4	178.1	179.3	-138.5	0	0	0	111.8	T90 A91 S96 D97 I98 L119 I123 K166 Y169 I170	T90-F94 WeakPolarHBondContact O-CB 3.38Å; T90-F94 PolarHBondContact O-N 3.15Å; A91-F94 PolarHBondContact O-N 3.46Å; F94-S96 VanDerWaalsContact C-N 3.31Å; F94-S96 PolarHBondContact O-N 2.89Å; F94-D97 PolarHBondContact O-N 3.47Å; F94-D97 VanDerWaalsContact O-N 3.13Å; F94-I98 HydrophobicContact CD2-CG2 3.63Å; F94-I98 HydrophobicContact CE2-CG2 3.12Å; F94-I98 HydrophobicContact CG-CG2 4.48Å; F94-I98 HydrophobicContact CZ-CG2 3.63Å; F94-I98 WeakPolarHBondContact O-CG1 3.39Å; F94-I98 PolarHBondContact O-N 2.83Å; F94-L119 HydrophobicContact CE1-CD1 4.36Å; F94-L119 HydrophobicContact CZ-CD2 4.46Å; F94-I123 HydrophobicContact CD1-CD1 3.34Å; F94-I123 HydrophobicContact CD1-CG1 3.62Å; F94-I123 HydrophobicContact CD1-CG2 4.1Å; F94-I123 HydrophobicContact CE1-CD1 3.12Å; F94-I123 HydrophobicContact CE1-CG1 3.61Å; F94-I123 HydrophobicContact CG-CD1 4.36Å; F94-I123 HydrophobicContact CZ-CD1 4Å; F94-K166 HydrophobicContact CB-CG 3.84Å; F94-Y169 HydrophobicContact CE1-CG 4.4Å; F94-Y169 HydrophobicContact CZ-CG 4.47Å; F94-I170 HydrophobicContact CD2-CD1 4.43Å; F94-I170 HydrophobicContact CD2-CG1 3.56Å; F94-I170 HydrophobicContact CE2-CG1 3.81Å
95	L	93	Very high	93.7	Very high	26 Å²	26	40.6 Å²	40.6	14%	0.136	22%	0.215	C	C	.	.	H	α-helix	trans	-56.9	-44.7	177.3	-176.2	60.4	0	0	0	111.8	A91 Q93 I98 Q99 E120 I123 M124	A91-L95 PolarHBondContact O-N 3.03Å; Q93-L95 VanDerWaalsContact C-N 3.34Å; Q93-L95 PolarHBondContact O-N 2.78Å; L95-I98 HydrophobicContact CD1-CD1 4.15Å; L95-I98 HydrophobicContact CD1-CG1 4.44Å; L95-I98 WeakPolarHBondContact O-CG1 3.48Å; L95-Q99 WeakPolarHBondContact O-CB 3.49Å; L95-Q99 VanDerWaalsContact O-CG 3.27Å; L95-Q99 WeakPolarHBondContact O-CG 2.96Å; L95-Q99 PolarHBondContact O-N 3.36Å; L95-Q99 VanDerWaalsContact O-N 3.13Å; L95-E120 HydrophobicContact CD1-CB 4.25Å; L95-E120 HydrophobicContact CD1-CG 4.12Å; L95-I123 HydrophobicContact CB-CG2 3.91Å; L95-M124 HydrophobicContact CD2-CG 3.86Å
96	S	94.7	Very high	94	Very high	56 Å²	56	42.9 Å²	42.9	39%	0.392	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-42.5	176.1	-172.8	0	0	0	0	111.9	T92 Q93 F94 Q99 N100	T92-S96 PolarHBondContact O-N 3.06Å; Q93-S96 PolarHBondContact O-N 2.87Å; F94-S96 VanDerWaalsContact C-N 3.31Å; F94-S96 PolarHBondContact O-N 2.89Å; S96-Q99 PolarHBondContact O-N 3.23Å; S96-N100 VanDerWaalsContact O-CG 3.27Å; S96-N100 PolarHBondContact O-N 3.3Å; S96-N100 VanDerWaalsContact O-N 3.08Å; S96-N100 PolarHBondContact O-ND2 2.92Å
97	D	95.8	Very high	94.1	Very high	49 Å²	49	49.2 Å²	49.2	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-43.6	-178.5	-68.3	-24.4	0	0	0	110.9	Q93 F94 N100 L101 K166 I170	Q93-D97 VanDerWaalsContact O-CG 3.27Å; Q93-D97 PolarHBondContact O-N 3.01Å; F94-D97 PolarHBondContact O-N 3.47Å; F94-D97 VanDerWaalsContact O-N 3.13Å; D97-N100 PolarHBondContact O-N 3.47Å; D97-L101 WeakPolarHBondContact O-CG 3.34Å; D97-L101 PolarHBondContact O-N 2.97Å; D97-K166 IonicContact OD2-NZ 2.83Å; D97-K166 PolarHBondContact OD2-NZ 3.29Å; D97-I170 HydrophobicContact CB-CD1 3.8Å; D97-I170 HydrophobicContact CB-CG1 4.23Å; D97-I170 VanDerWaalsContact OD2-CD1 3.27Å; D97-I170 WeakPolarHBondContact OD2-CD1 3.28Å
98	I	94.7	Very high	94.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-37.6	178.2	63.9	176.4	0	0	0	112.7	F94 L95 N100 L101 Q102 E120 I123 F173	F94-I98 HydrophobicContact CD2-CG2 3.63Å; F94-I98 HydrophobicContact CE2-CG2 3.12Å; F94-I98 HydrophobicContact CG-CG2 4.48Å; F94-I98 HydrophobicContact CZ-CG2 3.63Å; F94-I98 WeakPolarHBondContact O-CG1 3.39Å; F94-I98 PolarHBondContact O-N 2.83Å; L95-I98 HydrophobicContact CD1-CD1 4.15Å; L95-I98 HydrophobicContact CD1-CG1 4.44Å; L95-I98 WeakPolarHBondContact O-CG1 3.48Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 3.19Å; I98-L101 PolarHBondContact O-N 3.12Å; I98-Q102 WeakPolarHBondContact O-CB 3.43Å; I98-Q102 VanDerWaalsContact O-CG 3.22Å; I98-Q102 WeakPolarHBondContact O-CG 3.46Å; I98-Q102 PolarHBondContact O-N 2.93Å; I98-E120 HydrophobicContact CD1-CG 3.86Å; I98-I123 HydrophobicContact CD1-CD1 3.4Å; I98-F173 HydrophobicContact CB-CD1 4.38Å; I98-F173 HydrophobicContact CB-CD2 4.48Å; I98-F173 HydrophobicContact CB-CE1 4.4Å; I98-F173 HydrophobicContact CB-CE2 4.47Å; I98-F173 HydrophobicContact CB-CG 4.44Å; I98-F173 HydrophobicContact CB-CZ 4.46Å; I98-F173 HydrophobicContact CG2-CB 4.27Å; I98-F173 HydrophobicContact CG2-CD1 4.12Å; I98-F173 HydrophobicContact CG2-CD2 4.19Å; I98-F173 HydrophobicContact CG2-CG 3.91Å
99	Q	94.9	Very high	94.5	Very high	82 Å²	82	53 Å²	53	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-40.9	177	-75.5	175	-22.7	0	0	110.9	L95 S96 Q102 N103	L95-Q99 WeakPolarHBondContact O-CB 3.49Å; L95-Q99 VanDerWaalsContact O-CG 3.27Å; L95-Q99 WeakPolarHBondContact O-CG 2.96Å; L95-Q99 PolarHBondContact O-N 3.36Å; L95-Q99 VanDerWaalsContact O-N 3.13Å; S96-Q99 PolarHBondContact O-N 3.23Å; Q99-Q102 PolarHBondContact O-N 3.49Å; Q99-N103 PolarHBondContact O-N 3.17Å; Q99-N103 PolarHBondContact O-ND2 3.48Å
100	N	96.3	Very high	94.7	Very high	91 Å²	91	55.8 Å²	55.8	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-48.2	174.7	-71.6	-24.6	0	0	0	111.5	S96 D97 I98 Q102 N103 V104	S96-N100 VanDerWaalsContact O-CG 3.27Å; S96-N100 PolarHBondContact O-N 3.3Å; S96-N100 VanDerWaalsContact O-N 3.08Å; S96-N100 PolarHBondContact O-ND2 2.92Å; D97-N100 PolarHBondContact O-N 3.47Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 3.19Å; N100-Q102 VanDerWaalsContact C-N 3.34Å; N100-Q102 PolarHBondContact O-N 2.95Å; N100-N103 PolarHBondContact O-N 3.1Å; N100-V104 WeakPolarHBondContact O-CG2 3.36Å; N100-V104 PolarHBondContact O-N 3.47Å
101	L	96	Very high	94.6	Very high	35 Å²	35	61.4 Å²	61.4	18%	0.183	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-42.6	177.2	-75.1	169.7	0	0	0	112.2	D97 I98 N103 V104 Y105 I170 F173 K174	D97-L101 WeakPolarHBondContact O-CG 3.34Å; D97-L101 PolarHBondContact O-N 2.97Å; I98-L101 PolarHBondContact O-N 3.12Å; L101-N103 VanDerWaalsContact C-N 3.32Å; L101-N103 PolarHBondContact O-N 3.05Å; L101-V104 PolarHBondContact O-N 2.87Å; L101-Y105 PolarHBondContact O-N 2.71Å; L101-I170 HydrophobicContact CD1-CG2 3.86Å; L101-F173 HydrophobicContact CB-CD1 4.4Å; L101-F173 HydrophobicContact CB-CE1 4.07Å; L101-F173 HydrophobicContact CD1-CD1 4.26Å; L101-K174 HydrophobicContact CD1-CG 3.95Å
102	Q	95.6	Very high	94.7	Very high	9 Å²	9	61.4 Å²	61.4	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-43.2	174.8	-76.3	174.5	31.2	0	0	112.2	I98 Q99 N100 V104 Y105 K106 S116 E120 F173 Y177	I98-Q102 WeakPolarHBondContact O-CB 3.43Å; I98-Q102 VanDerWaalsContact O-CG 3.22Å; I98-Q102 WeakPolarHBondContact O-CG 3.46Å; I98-Q102 PolarHBondContact O-N 2.93Å; Q99-Q102 PolarHBondContact O-N 3.49Å; N100-Q102 VanDerWaalsContact C-N 3.34Å; N100-Q102 PolarHBondContact O-N 2.95Å; Q102-V104 VanDerWaalsContact C-N 3.33Å; Q102-Y105 PolarHBondContact O-N 2.63Å; Q102-K106 VanDerWaalsContact O-CB 3.26Å; Q102-K106 WeakPolarHBondContact O-CB 3.49Å; Q102-K106 WeakPolarHBondContact O-CG 3.44Å; Q102-K106 PolarHBondContact O-N 2.97Å; Q102-S116 VanDerWaalsContact CD-OG 3.26Å; Q102-S116 PolarHBondContact NE2-OG 3.47Å; Q102-S116 PolarHBondContact OE1-OG 2.88Å; Q102-E120 PolarHBondContact NE2-OE1 3.05Å; Q102-E120 PolarHBondContact OE1-OE1 3.36Å; Q102-F173 HydrophobicContact CG-CE1 4.04Å; Q102-F173 HydrophobicContact CG-CE2 4.37Å; Q102-F173 HydrophobicContact CG-CZ 3.41Å; Q102-F173 VanDerWaalsContact CG-CZ 3.41Å; Q102-Y177 HydrophobicContact CG-CE2 4.11Å
103	N	96.3	Very high	94.7	Very high	94 Å²	94	65.1 Å²	65.1	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-40.4	179.9	-70.5	-26	0	0	0	111.4	Q99 N100 L101 M107	Q99-N103 PolarHBondContact O-N 3.17Å; Q99-N103 PolarHBondContact O-ND2 3.48Å; N100-N103 PolarHBondContact O-N 3.1Å; L101-N103 VanDerWaalsContact C-N 3.32Å; L101-N103 PolarHBondContact O-N 3.05Å; N103-M107 WeakPolarHBondContact O-CB 3.39Å; N103-M107 PolarHBondContact O-N 3.05Å; N103-M107 VanDerWaalsContact O-N 3.08Å
104	V	96.4	Very high	94.7	Very high	65 Å²	65	63 Å²	63	39%	0.394	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-54.1	174	172.8	0	0	0	0	110.2	N100 L101 Q102 K106 M107 E108	N100-V104 WeakPolarHBondContact O-CG2 3.36Å; N100-V104 PolarHBondContact O-N 3.47Å; L101-V104 PolarHBondContact O-N 2.87Å; Q102-V104 VanDerWaalsContact C-N 3.33Å; V104-K106 VanDerWaalsContact C-N 3.35Å; V104-K106 PolarHBondContact O-N 3.19Å; V104-M107 WeakPolarHBondContact O-CB 3.01Å; V104-M107 PolarHBondContact O-N 3.45Å; V104-E108 PolarHBondContact O-N 3.48Å
105	Y	96.2	Very high	94.6	Very high	8 Å²	8	68 Å²	68	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-65.6	-34.1	-178.4	-64.5	-25.4	0	0	0	113.6	L101 Q102 M107 F109 Y177 L178 I181	L101-Y105 PolarHBondContact O-N 2.71Å; Q102-Y105 PolarHBondContact O-N 2.63Å; Y105-M107 VanDerWaalsContact C-N 3.3Å; Y105-M107 PolarHBondContact O-N 2.82Å; Y105-F109 WeakPolarHBondContact O-CA 3.5Å; Y105-F109 WeakPolarHBondContact O-CB 3.39Å; Y105-F109 PolarHBondContact O-N 3.14Å; Y105-Y177 AromaticContact CD2-CD1 3.64Å; Y105-Y177 HydrophobicContact CD2-CD1 3.64Å; Y105-Y177 AromaticContact CD2-CD2 3.87Å; Y105-Y177 HydrophobicContact CD2-CD2 3.87Å; Y105-Y177 HydrophobicContact CD2-CE1 4.11Å; Y105-Y177 HydrophobicContact CD2-CE2 4.28Å; Y105-Y177 AromaticContact CD2-CG 3.53Å; Y105-Y177 HydrophobicContact CD2-CG 3.53Å; Y105-Y177 HydrophobicContact CE2-CD1 4.46Å; Y105-Y177 HydrophobicContact CE2-CG 4.14Å; Y105-Y177 HydrophobicContact CG-CD1 4.12Å; Y105-Y177 HydrophobicContact CG-CE1 4.24Å; Y105-Y177 HydrophobicContact CG-CG 4.43Å; Y105-L178 HydrophobicContact CE1-CD2 3.96Å; Y105-L178 HydrophobicContact CE2-CD2 4.44Å; Y105-L178 HydrophobicContact CE2-CG 4.44Å; Y105-I181 HydrophobicContact CG-CD1 4.35Å
106	K	95.7	Very high	94.5	Very high	91 Å²	91	67.1 Å²	67.1	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-33.4	172.8	-76	171.8	-176.7	168.9	0	112.1	Q102 V104 P110	Q102-K106 VanDerWaalsContact O-CB 3.26Å; Q102-K106 WeakPolarHBondContact O-CB 3.49Å; Q102-K106 WeakPolarHBondContact O-CG 3.44Å; Q102-K106 PolarHBondContact O-N 2.97Å; V104-K106 VanDerWaalsContact C-N 3.35Å; V104-K106 PolarHBondContact O-N 3.19Å; K106-P110 WeakPolarHBondContact O-CA 3.39Å
107	M	95.7	Very high	94.4	Very high	157 Å²	157	67.8 Å²	67.8	77%	0.773	36%	0.358	S	S	*	.	H	α-helix	trans	-73.6	-43.3	178	-170.3	-177.9	-51.1	0	0	111.6	N103 V104 Y105	N103-M107 WeakPolarHBondContact O-CB 3.39Å; N103-M107 PolarHBondContact O-N 3.05Å; N103-M107 VanDerWaalsContact O-N 3.08Å; V104-M107 WeakPolarHBondContact O-CB 3.01Å; V104-M107 PolarHBondContact O-N 3.45Å; Y105-M107 VanDerWaalsContact C-N 3.3Å; Y105-M107 PolarHBondContact O-N 2.82Å
108	E	94	Very high	94.1	Very high	118 Å²	118	70.1 Å²	70.1	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-74.9	-34.6	179.5	-68.8	177.3	-179.5	0	0	112.4	V104 P110	V104-E108 PolarHBondContact O-N 3.48Å; E108-P110 VanDerWaalsContact C-CD 3.49Å; E108-P110 WeakPolarHBondContact O-CD 3.27Å
109	F	94.8	Very high	93.8	Very high	20 Å²	20	73 Å²	73	9%	0.088	39%	0.394	C	S	.	.			trans	-129.1	63.7	-175.4	-51.8	-85.5	0	0	0	111.6	L32 Y105 N111 V112 I181 L185	L32-F109 HydrophobicContact CD1-CE1 4.26Å; L32-F109 HydrophobicContact CD1-CZ 4.46Å; L32-F109 HydrophobicContact CD2-CZ 4Å; Y105-F109 WeakPolarHBondContact O-CA 3.5Å; Y105-F109 WeakPolarHBondContact O-CB 3.39Å; Y105-F109 PolarHBondContact O-N 3.14Å; F109-N111 PolarHBondContact O-N 3.48Å; F109-V112 HydrophobicContact CB-CB 4.23Å; F109-V112 HydrophobicContact CB-CG2 3.94Å; F109-V112 PolarHBondContact O-N 3.01Å; F109-I181 HydrophobicContact CB-CD1 4.32Å; F109-I181 HydrophobicContact CB-CG1 4.23Å; F109-I181 HydrophobicContact CB-CG2 4.39Å; F109-I181 HydrophobicContact CD1-CG2 3.37Å; F109-I181 HydrophobicContact CD2-CD1 3.47Å; F109-I181 VanDerWaalsContact CD2-CD1 3.47Å; F109-I181 HydrophobicContact CD2-CG1 4.21Å; F109-I181 HydrophobicContact CD2-CG2 4.21Å; F109-I181 HydrophobicContact CE1-CG2 3.49Å; F109-I181 VanDerWaalsContact CE1-CG2 3.49Å; F109-I181 HydrophobicContact CE2-CD1 3.85Å; F109-I181 HydrophobicContact CE2-CG2 4.35Å; F109-I181 HydrophobicContact CG-CD1 3.88Å; F109-I181 HydrophobicContact CG-CG1 4.1Å; F109-I181 HydrophobicContact CG-CG2 3.74Å; F109-I181 HydrophobicContact CZ-CG2 4.02Å; F109-L185 HydrophobicContact CD1-CD1 4.41Å; F109-L185 HydrophobicContact CE1-CD1 4.12Å
110	P	94.4	Very high	93.5	Very high	98 Å²	98	71 Å²	71	64%	0.636	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19	-172.6	25.5	-35.9	0	0	0	114.3	K106 E108 V112	K106-P110 WeakPolarHBondContact O-CA 3.39Å; E108-P110 VanDerWaalsContact C-CD 3.49Å; E108-P110 WeakPolarHBondContact O-CD 3.27Å; P110-V112 VanDerWaalsContact C-N 3.31Å
111	N	91.7	Very high	93.2	Very high	128 Å²	128	69.5 Å²	69.5	68%	0.684	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.2	177.9	-61.4	-40.2	0	0	0	113.3	F109	F109-N111 PolarHBondContact O-N 3.48Å
112	V	93	Very high	92.9	Very high	9 Å²	9	71.6 Å²	71.6	6%	0.055	40%	0.401	C	S	.	.			trans	-101.5	109.2	-179.2	-177.9	0	0	0	0	109.2	F109 P110 Y177 K180 I181 V184	F109-V112 HydrophobicContact CB-CB 4.23Å; F109-V112 HydrophobicContact CB-CG2 3.94Å; F109-V112 PolarHBondContact O-N 3.01Å; P110-V112 VanDerWaalsContact C-N 3.31Å; V112-Y177 HydrophobicContact CG1-CE1 4.35Å; V112-K180 HydrophobicContact CG1-CG 4.08Å; V112-I181 HydrophobicContact CB-CG1 4.18Å; V112-I181 HydrophobicContact CG1-CG1 3.85Å; V112-I181 HydrophobicContact CG2-CB 4.41Å; V112-I181 HydrophobicContact CG2-CG1 4.07Å; V112-I181 HydrophobicContact CG2-CG2 4.45Å; V112-V184 HydrophobicContact CG2-CB 4.08Å; V112-V184 HydrophobicContact CG2-CG1 4.13Å; V112-V184 HydrophobicContact CG2-CG2 4.3Å
113	N	91.8	Very high	92.5	Very high	140 Å²	140	71.6 Å²	71.6	75%	0.749	40%	0.401	S	S	*	.			trans	-85.7	122.5	171.1	-173	31.6	0	0	0	110.2
114	Y	93.3	Very high	92.1	Very high	37 Å²	37	71.5 Å²	71.5	15%	0.145	40%	0.399	C	S	.	.			trans	-125.5	116.5	174.8	-174.1	-84.9	0	0	0	109	F173 S176 Y177 K180	Y114-F173 HydrophobicContact CD1-CE2 4.33Å; Y114-F173 HydrophobicContact CD1-CZ 4.42Å; Y114-F173 HydrophobicContact CE1-CD2 4.37Å; Y114-F173 AromaticContact CE1-CE2 3.58Å; Y114-F173 HydrophobicContact CE1-CE2 3.58Å; Y114-F173 HydrophobicContact CE1-CZ 4.05Å; Y114-S176 WeakPolarHBondContact OH-CB 3.46Å; Y114-S176 PolarHBondContact OH-OG 3.29Å; Y114-Y177 AromaticContact CD1-CD2 3.4Å; Y114-Y177 HydrophobicContact CD1-CD2 3.4Å; Y114-Y177 VanDerWaalsContact CD1-CD2 3.4Å; Y114-Y177 AromaticContact CD1-CE2 3.58Å; Y114-Y177 HydrophobicContact CD1-CE2 3.58Å; Y114-Y177 HydrophobicContact CD1-CG 4.26Å; Y114-Y177 HydrophobicContact CD2-CD1 4.31Å; Y114-Y177 AromaticContact CD2-CD2 3.8Å; Y114-Y177 HydrophobicContact CD2-CD2 3.8Å; Y114-Y177 HydrophobicContact CD2-CE2 4.28Å; Y114-Y177 AromaticContact CD2-CG 3.82Å; Y114-Y177 HydrophobicContact CD2-CG 3.82Å; Y114-Y177 AromaticContact CE1-CD2 3.91Å; Y114-Y177 HydrophobicContact CE1-CD2 3.91Å; Y114-Y177 HydrophobicContact CE1-CE2 4.48Å; Y114-Y177 HydrophobicContact CE2-CD2 4.26Å; Y114-Y177 HydrophobicContact CE2-CG 4.23Å; Y114-Y177 HydrophobicContact CG-CD1 4.35Å; Y114-Y177 AromaticContact CG-CD2 3.35Å; Y114-Y177 HydrophobicContact CG-CD2 3.35Å; Y114-Y177 HydrophobicContact CG-CE1 4.41Å; Y114-Y177 AromaticContact CG-CE2 3.45Å; Y114-Y177 HydrophobicContact CG-CE2 3.45Å; Y114-Y177 VanDerWaalsContact CG-CE2 3.45Å; Y114-Y177 AromaticContact CG-CG 3.84Å; Y114-Y177 HydrophobicContact CG-CG 3.84Å; Y114-Y177 AromaticContact CG-CZ 3.99Å; Y114-K180 HydrophobicContact CD2-CB 4.16Å; Y114-K180 HydrophobicContact CD2-CG 4.41Å
115	D	92	Very high	91.5	Very high	114 Å²	114	76.1 Å²	76.1	61%	0.61	41%	0.414	S	S	*	.			trans	-89.4	112.3	176.8	-178.7	19	0	0	0	110.7	S117	D115-S117 WeakPolarHBondContact OD1-CB 3.49Å; D115-S117 PolarHBondContact OD1-N 3.45Å; D115-S117 PolarHBondContact OD1-OG 3.35Å
116	S	92	Very high	90.8	Very high	8 Å²	8	79.2 Å²	79.2	6%	0.056	43%	0.431	C	S	.	.			trans	-106.8	2.7	177.2	53.2	0	0	0	0	112.6	Q102 S118 L119 E120	Q102-S116 VanDerWaalsContact CD-OG 3.26Å; Q102-S116 PolarHBondContact NE2-OG 3.47Å; Q102-S116 PolarHBondContact OE1-OG 2.88Å; S116-S118 VanDerWaalsContact C-N 3.28Å; S116-S118 PolarHBondContact O-N 3.3Å; S116-L119 WeakPolarHBondContact O-CA 3.31Å; S116-L119 WeakPolarHBondContact O-CB 3.48Å; S116-L119 PolarHBondContact O-N 2.83Å; S116-E120 WeakPolarHBondContact O-CG 3.33Å; S116-E120 PolarHBondContact O-N 3.05Å; S116-E120 PolarHBondContact OG-OE1 2.97Å
117	S	91.2	Very high	90.2	Very high	70 Å²	70	75.4 Å²	75.4	49%	0.49	42%	0.416	S	S	.	.	H	α-helix	trans	-58.6	-38.8	-168.3	-50.9	0	0	0	0	112.5	D115 E120 A121	D115-S117 WeakPolarHBondContact OD1-CB 3.49Å; D115-S117 PolarHBondContact OD1-N 3.45Å; D115-S117 PolarHBondContact OD1-OG 3.35Å; S117-E120 PolarHBondContact O-N 2.96Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 2.79Å
118	S	89.6	Confident	89.6	Confident	99 Å²	99	73.6 Å²	73.6	69%	0.692	41%	0.406	S	S	*	.	H	α-helix	trans	-68.5	-37.8	178	-67.4	0	0	0	0	112.5	S116 C122	S116-S118 VanDerWaalsContact C-N 3.28Å; S116-S118 PolarHBondContact O-N 3.3Å; S118-C122 WeakPolarHBondContact O-CB 3.2Å; S118-C122 PolarHBondContact O-N 3.46Å; S118-C122 VanDerWaalsContact O-N 3.15Å
119	L	88.7	Confident	88.6	Confident	61 Å²	61	70.4 Å²	70.4	32%	0.319	40%	0.397	S	S	.	.	H	α-helix	trans	-66.7	-47.1	175.2	174.6	62.3	0	0	0	110.1	F94 S116 A121 C122 I123 F173	F94-L119 HydrophobicContact CE1-CD1 4.36Å; F94-L119 HydrophobicContact CZ-CD2 4.46Å; S116-L119 WeakPolarHBondContact O-CA 3.31Å; S116-L119 WeakPolarHBondContact O-CB 3.48Å; S116-L119 PolarHBondContact O-N 2.83Å; L119-A121 PolarHBondContact O-N 2.99Å; L119-C122 WeakPolarHBondContact O-CB 3.41Å; L119-C122 PolarHBondContact O-N 2.87Å; L119-I123 HydrophobicContact CD1-CD1 3.95Å; L119-I123 HydrophobicContact CD1-CG1 4.29Å; L119-I123 HydrophobicContact CG-CD1 3.8Å; L119-I123 WeakPolarHBondContact O-CD1 3.47Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 2.88Å; L119-F173 HydrophobicContact CD2-CD2 3.62Å; L119-F173 HydrophobicContact CD2-CE2 4.2Å
120	E	89.8	Confident	87.4	Confident	39 Å²	39	70.6 Å²	70.6	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-59.1	-45.3	177.7	-69.4	-177	-175.5	0	0	112.1	L95 I98 Q102 S116 S117 C122 I123 M124	L95-E120 HydrophobicContact CD1-CB 4.25Å; L95-E120 HydrophobicContact CD1-CG 4.12Å; I98-E120 HydrophobicContact CD1-CG 3.86Å; Q102-E120 PolarHBondContact NE2-OE1 3.05Å; Q102-E120 PolarHBondContact OE1-OE1 3.36Å; S116-E120 WeakPolarHBondContact O-CG 3.33Å; S116-E120 PolarHBondContact O-N 3.05Å; S116-E120 PolarHBondContact OG-OE1 2.97Å; S117-E120 PolarHBondContact O-N 2.96Å; E120-C122 VanDerWaalsContact C-N 3.32Å; E120-C122 PolarHBondContact O-N 3.21Å; E120-I123 PolarHBondContact O-N 3.39Å; E120-M124 WeakPolarHBondContact O-CB 3.17Å; E120-M124 WeakPolarHBondContact O-CG 3.41Å; E120-M124 PolarHBondContact O-N 3.37Å
121	A	90.2	Very high	86.1	Confident	60 Å²	60	74.3 Å²	74.3	50%	0.496	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-40.6	176.3	0	0	0	0	0	112.4	S117 L119 M124 K125	S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 2.79Å; L119-A121 PolarHBondContact O-N 2.99Å; A121-M124 PolarHBondContact O-N 2.83Å; A121-K125 PolarHBondContact O-N 2.88Å
122	C	87.9	Confident	85.1	Confident	79 Å²	79	73.5 Å²	73.5	53%	0.534	40%	0.402	S	S	.	.	H	α-helix	trans	-61.5	-44.6	175.4	-175.6	0	0	0	0	111.6	S118 L119 E120 K125	S118-C122 WeakPolarHBondContact O-CB 3.2Å; S118-C122 PolarHBondContact O-N 3.46Å; S118-C122 VanDerWaalsContact O-N 3.15Å; L119-C122 WeakPolarHBondContact O-CB 3.41Å; L119-C122 PolarHBondContact O-N 2.87Å; E120-C122 VanDerWaalsContact C-N 3.32Å; E120-C122 PolarHBondContact O-N 3.21Å; C122-K125 PolarHBondContact O-N 3.07Å
123	I	87.5	Confident	83.9	Confident	9 Å²	9	74.5 Å²	74.5	5%	0.046	41%	0.407	C	S	.	.	H	α-helix	trans	-68.7	-41.9	179.5	-59.7	156.7	0	0	0	110.9	A91 F94 L95 I98 L119 E120 K125 N126 A127	A91-I123 HydrophobicContact CB-CG2 4.11Å; A91-I123 WeakPolarHBondContact O-CG2 2.97Å; F94-I123 HydrophobicContact CD1-CD1 3.34Å; F94-I123 HydrophobicContact CD1-CG1 3.62Å; F94-I123 HydrophobicContact CD1-CG2 4.1Å; F94-I123 HydrophobicContact CE1-CD1 3.12Å; F94-I123 HydrophobicContact CE1-CG1 3.61Å; F94-I123 HydrophobicContact CG-CD1 4.36Å; F94-I123 HydrophobicContact CZ-CD1 4Å; L95-I123 HydrophobicContact CB-CG2 3.91Å; I98-I123 HydrophobicContact CD1-CD1 3.4Å; L119-I123 HydrophobicContact CD1-CD1 3.95Å; L119-I123 HydrophobicContact CD1-CG1 4.29Å; L119-I123 HydrophobicContact CG-CD1 3.8Å; L119-I123 WeakPolarHBondContact O-CD1 3.47Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 2.88Å; E120-I123 PolarHBondContact O-N 3.39Å; I123-K125 VanDerWaalsContact C-N 3.26Å; I123-K125 PolarHBondContact O-N 3.06Å; I123-N126 CarbonylContact O-C 3.57Å; I123-N126 WeakPolarHBondContact O-CA 3.11Å; I123-N126 WeakPolarHBondContact O-CB 3.25Å; I123-N126 PolarHBondContact O-N 3.49Å; I123-A127 WeakPolarHBondContact O-CB 3.47Å; I123-A127 PolarHBondContact O-N 3.41Å
124	M	87.9	Confident	82.6	Confident	91 Å²	91	76.8 Å²	76.8	45%	0.448	41%	0.413	S	S	.	.	H	α-helix	trans	-56.9	-39.9	178.3	-80.1	-174.1	67.4	0	0	111.7	L95 E120 A121 N126 A127 E128	L95-M124 HydrophobicContact CD2-CG 3.86Å; E120-M124 WeakPolarHBondContact O-CB 3.17Å; E120-M124 WeakPolarHBondContact O-CG 3.41Å; E120-M124 PolarHBondContact O-N 3.37Å; A121-M124 PolarHBondContact O-N 2.83Å; M124-N126 VanDerWaalsContact C-N 3.29Å; M124-N126 PolarHBondContact O-N 2.93Å; M124-A127 CarbonylContact O-C 3.54Å; M124-A127 PolarHBondContact O-N 3.39Å; M124-A127 VanDerWaalsContact O-N 3.14Å; M124-E128 WeakPolarHBondContact O-CG 3.38Å; M124-E128 PolarHBondContact O-N 3.25Å
125	K	84.9	Confident	81.6	Confident	162 Å²	162	78 Å²	78	70%	0.704	43%	0.427	S	S	*	.	H	α-helix	trans	-58.6	-40.7	175	-172.9	179.5	179.7	-179.1	0	112.4	A121 C122 I123	A121-K125 PolarHBondContact O-N 2.88Å; C122-K125 PolarHBondContact O-N 3.07Å; I123-K125 VanDerWaalsContact C-N 3.26Å; I123-K125 PolarHBondContact O-N 3.06Å
126	N	81.5	Confident	80.4	Confident	74 Å²	74	74.9 Å²	74.9	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-72.4	-39.2	175.4	-68.9	-24.2	0	0	0	111.3	I87 A91 I123 M124 S129	I87-N126 HydrophobicContact CG2-CB 4.41Å; A91-N126 HydrophobicContact CB-CB 3.75Å; I123-N126 CarbonylContact O-C 3.57Å; I123-N126 WeakPolarHBondContact O-CA 3.11Å; I123-N126 WeakPolarHBondContact O-CB 3.25Å; I123-N126 PolarHBondContact O-N 3.49Å; M124-N126 VanDerWaalsContact C-N 3.29Å; M124-N126 PolarHBondContact O-N 2.93Å; N126-S129 PolarHBondContact O-N 3.35Å; N126-S129 PolarHBondContact O-OG 3.3Å
127	A	82.9	Confident	79.5	Confident	11 Å²	11	76.9 Å²	76.9	9%	0.091	42%	0.418	C	S	.	.	H	α-helix	trans	-68.4	-32.9	178.4	0	0	0	0	0	112.8	A91 I123 M124 S129 S130	A91-A127 HydrophobicContact CB-CB 4.31Å; I123-A127 WeakPolarHBondContact O-CB 3.47Å; I123-A127 PolarHBondContact O-N 3.41Å; M124-A127 CarbonylContact O-C 3.54Å; M124-A127 PolarHBondContact O-N 3.39Å; M124-A127 VanDerWaalsContact O-N 3.14Å; A127-S129 PolarHBondContact O-N 3.35Å; A127-S130 WeakPolarHBondContact O-CA 3.49Å; A127-S130 WeakPolarHBondContact O-CB 3.44Å; A127-S130 PolarHBondContact O-N 2.79Å; A127-S130 PolarHBondContact O-OG 3.08Å
128	E	81.9	Confident	78.8	Confident	119 Å²	119	75 Å²	75	56%	0.556	41%	0.409	S	S	*	.	H	α-helix	trans	-62.5	-31.5	179.4	-81	179.6	172.2	0	0	112.7	M124 S130 K131	M124-E128 WeakPolarHBondContact O-CG 3.38Å; M124-E128 PolarHBondContact O-N 3.25Å; E128-S130 PolarHBondContact O-N 3.46Å; E128-K131 PolarHBondContact O-N 3.15Å
129	S	73.4	Confident	78.3	Confident	50 Å²	50	74.6 Å²	74.6	35%	0.35	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.8	173.7	76.2	0	0	0	0	113.7	S88 N126 A127 K136	S88-S129 PolarHBondContact OG-OG 3.46Å; N126-S129 PolarHBondContact O-N 3.35Å; N126-S129 PolarHBondContact O-OG 3.3Å; A127-S129 PolarHBondContact O-N 3.35Å; S129-K136 PolarHBondContact O-NZ 2.81Å
130	S	69.2	Low	78.2	Confident	24 Å²	24	71.7 Å²	71.7	17%	0.168	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.6	177	72	0	0	0	0	115.1	A127 E128 N132 M133	A127-S130 WeakPolarHBondContact O-CA 3.49Å; A127-S130 WeakPolarHBondContact O-CB 3.44Å; A127-S130 PolarHBondContact O-N 2.79Å; A127-S130 PolarHBondContact O-OG 3.08Å; E128-S130 PolarHBondContact O-N 3.46Å; S130-N132 PolarHBondContact O-N 3.03Å; S130-M133 VanDerWaalsContact O-CB 3.25Å; S130-M133 WeakPolarHBondContact O-CB 3.5Å; S130-M133 WeakPolarHBondContact O-CG 3.3Å; S130-M133 PolarHBondContact O-N 2.98Å
131	K	68.5	Low	77.9	Confident	177 Å²	177	73.6 Å²	73.6	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.1	-170.7	-70.1	-179.3	-179.8	173.5	0	113.1	E128	E128-K131 PolarHBondContact O-N 3.15Å
132	N	69.5	Low	77.5	Confident	110 Å²	110	78 Å²	78	59%	0.588	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	24.8	176.8	-62.7	-23.9	0	0	0	113.7	S130 Q134 S135 K136	S130-N132 PolarHBondContact O-N 3.03Å; N132-Q134 PolarHBondContact O-N 2.83Å; N132-S135 PolarHBondContact O-N 3.47Å; N132-S135 PolarHBondContact O-OG 2.56Å; N132-K136 WeakPolarHBondContact O-CG 3.28Å; N132-K136 PolarHBondContact O-N 2.81Å
133	M	69	Low	77.2	Confident	30 Å²	30	77 Å²	77	15%	0.148	40%	0.397	C	S	.	.	H	α-helix	trans	-61.7	-43.3	-173	-92.7	168.6	-177.8	0	0	115.1	Y85 S88 L89 S130 S135 K136 D137	Y85-M133 HydrophobicContact CD2-CB 4.42Å; Y85-M133 HydrophobicContact CD2-CG 4.17Å; Y85-M133 HydrophobicContact CE2-CB 4.21Å; Y85-M133 HydrophobicContact CE2-CG 4.19Å; S88-M133 WeakPolarHBondContact O-CE 3.37Å; L89-M133 HydrophobicContact CB-CE 3.68Å; L89-M133 HydrophobicContact CB-SD 4.42Å; L89-M133 HydrophobicContact CD1-CE 4.35Å; L89-M133 HydrophobicContact CD1-SD 4.25Å; S130-M133 VanDerWaalsContact O-CB 3.25Å; S130-M133 WeakPolarHBondContact O-CB 3.5Å; S130-M133 WeakPolarHBondContact O-CG 3.3Å; S130-M133 PolarHBondContact O-N 2.98Å; M133-S135 VanDerWaalsContact C-N 3.31Å; M133-S135 PolarHBondContact O-N 3.46Å; M133-K136 PolarHBondContact O-N 3.18Å; M133-D137 PolarHBondContact O-N 3.38Å
134	Q	64.8	Low	76.5	Confident	188 Å²	188	77.7 Å²	77.7	88%	0.879	40%	0.401	S	S	*	.	H	α-helix	trans	-63.6	-40.9	-177.7	-72.7	-176	7.8	0	0	111.1	N132 G138	N132-Q134 PolarHBondContact O-N 2.83Å; Q134-G138 PolarHBondContact O-N 3.42Å
135	S	70.4	Confident	75.3	Confident	63 Å²	63	77.9 Å²	77.9	44%	0.441	41%	0.409	S	S	.	.	H	α-helix	trans	-68.5	-39.1	174.5	59.4	0	0	0	0	111.3	N132 M133 N139	N132-S135 PolarHBondContact O-N 3.47Å; N132-S135 PolarHBondContact O-OG 2.56Å; M133-S135 VanDerWaalsContact C-N 3.31Å; M133-S135 PolarHBondContact O-N 3.46Å; S135-N139 VanDerWaalsContact O-CB 3.26Å; S135-N139 WeakPolarHBondContact O-CB 3.24Å; S135-N139 PolarHBondContact O-N 3.02Å; S135-N139 PolarHBondContact O-ND2 3.39Å; S135-N139 VanDerWaalsContact O-ND2 3.16Å; S135-N139 PolarHBondContact O-OD1 3.21Å
136	K	68.7	Low	74.3	Confident	49 Å²	49	77.6 Å²	77.6	21%	0.213	40%	0.404	C	S	.	.	H	α-helix	trans	-59.6	-48.4	174.5	-77.4	179.9	174.5	-179.9	0	112.8	S129 N132 M133 G138 N139 C140	S129-K136 PolarHBondContact O-NZ 2.81Å; N132-K136 WeakPolarHBondContact O-CG 3.28Å; N132-K136 PolarHBondContact O-N 2.81Å; M133-K136 PolarHBondContact O-N 3.18Å; K136-G138 PolarHBondContact O-N 3.16Å; K136-N139 PolarHBondContact O-N 3.36Å; K136-C140 PolarHBondContact O-N 3.19Å; K136-C140 PolarHBondContact O-SG 3.12Å
137	D	72.8	Confident	73.8	Confident	49 Å²	49	79 Å²	79	26%	0.262	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-47.6	-178.9	-175.3	65.3	0	0	0	111.9	R82 Y85 M133 N139 C140 N141	R82-D137 IonicContact CZ-OD1 3.84Å; R82-D137 IonicContact NH1-OD1 2.75Å; R82-D137 PolarHBondContact NH1-OD1 2.98Å; Y85-D137 HydrophobicContact CD2-CB 4.11Å; Y85-D137 HydrophobicContact CE2-CB 3.95Å; M133-D137 PolarHBondContact O-N 3.38Å; D137-N139 VanDerWaalsContact C-N 3.32Å; D137-N139 PolarHBondContact O-N 3.49Å; D137-C140 PolarHBondContact O-N 3.3Å; D137-N141 PolarHBondContact O-N 3.25Å; D137-N141 VanDerWaalsContact O-N 3.16Å; D137-N141 PolarHBondContact O-ND2 3.38Å
138	G	75.1	Confident	73.9	Confident	30 Å²	30	80.5 Å²	80.5	31%	0.309	42%	0.42	S	S	.	.	H	α-helix	trans	-57.2	-45.2	174	0	0	0	0	0	112.2	Q134 K136 N141 M142	Q134-G138 PolarHBondContact O-N 3.42Å; K136-G138 PolarHBondContact O-N 3.16Å; G138-N141 PolarHBondContact O-N 3.03Å; G138-M142 PolarHBondContact O-N 3.39Å
139	N	80.8	Confident	74.3	Confident	92 Å²	92	81 Å²	81	49%	0.492	42%	0.42	S	S	.	.	H	α-helix	trans	-65.8	-38.2	178.6	-69	-13.9	0	0	0	112.5	S135 K136 D137 N141 M142	S135-N139 VanDerWaalsContact O-CB 3.26Å; S135-N139 WeakPolarHBondContact O-CB 3.24Å; S135-N139 PolarHBondContact O-N 3.02Å; S135-N139 PolarHBondContact O-ND2 3.39Å; S135-N139 VanDerWaalsContact O-ND2 3.16Å; S135-N139 PolarHBondContact O-OD1 3.21Å; K136-N139 PolarHBondContact O-N 3.36Å; D137-N139 VanDerWaalsContact C-N 3.32Å; D137-N139 PolarHBondContact O-N 3.49Å; N139-N141 VanDerWaalsContact C-N 3.33Å; N139-N141 PolarHBondContact O-N 3.28Å; N139-M142 PolarHBondContact O-N 3.46Å
140	C	86.1	Confident	75.2	Confident	0 Å²	0	81 Å²	81	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-61.8	-44	176.4	-58	0	0	0	0	110.7	Y78 C81 R82 K136 D137 M142 L143	Y78-C140 HydrophobicContact CD2-CB 4.45Å; Y78-C140 VanDerWaalsContact CD2-O 3.27Å; Y78-C140 WeakPolarHBondContact CD2-O 3.29Å; Y78-C140 HydrophobicContact CE2-CB 4.5Å; C81-C140 HydrophobicContact CB-CB 3.88Å; C81-C140 WeakPolarHBondContact CB-SG 3.18Å; C81-C140 PolarHBondContact O-SG 2.83Å; C81-C140 VanDerWaalsContact O-SG 3.39Å; C81-C140 WeakPolarHBondContact SG-CA 3.38Å; C81-C140 WeakPolarHBondContact SG-CB 3.42Å; C81-C140 CovalentContact SG-SG 2.03Å; C81-C140 PolarHBondContact SG-SG 3.16Å; R82-C140 HydrophobicContact CG-CB 4.35Å; K136-C140 PolarHBondContact O-N 3.19Å; K136-C140 PolarHBondContact O-SG 3.12Å; D137-C140 PolarHBondContact O-N 3.3Å; C140-M142 PolarHBondContact O-N 3.01Å; C140-L143 VanDerWaalsContact O-CB 3.28Å; C140-L143 WeakPolarHBondContact O-CB 3.45Å; C140-L143 PolarHBondContact O-N 2.95Å
141	N	82.4	Confident	76.2	Confident	78 Å²	78	79.9 Å²	79.9	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-29.8	-178.4	-68.3	-37.1	0	0	0	112.6	D137 G138 N139 L143 I144	D137-N141 PolarHBondContact O-N 3.25Å; D137-N141 VanDerWaalsContact O-N 3.16Å; D137-N141 PolarHBondContact O-ND2 3.38Å; G138-N141 PolarHBondContact O-N 3.03Å; N139-N141 VanDerWaalsContact C-N 3.33Å; N139-N141 PolarHBondContact O-N 3.28Å; N141-L143 PolarHBondContact O-N 2.97Å; N141-I144 PolarHBondContact O-N 3.3Å
142	M	83	Confident	77.3	Confident	153 Å²	153	78.1 Å²	78.1	75%	0.754	40%	0.397	S	S	*	.	H	α-helix	trans	-67.3	-19.6	173.9	-65	-178.4	-175.5	0	0	113.6	G138 N139 C140 I144	G138-M142 PolarHBondContact O-N 3.39Å; N139-M142 PolarHBondContact O-N 3.46Å; C140-M142 PolarHBondContact O-N 3.01Å; M142-I144 PolarHBondContact O-N 3.43Å
143	L	81.2	Confident	78.5	Confident	57 Å²	57	78 Å²	78	30%	0.298	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.2	178.4	-61.7	172.1	0	0	0	113	R77 C81 C140 N141	R77-L143 HydrophobicContact CB-CD1 4.22Å; C81-L143 HydrophobicContact CB-CD1 3.94Å; C140-L143 VanDerWaalsContact O-CB 3.28Å; C140-L143 WeakPolarHBondContact O-CB 3.45Å; C140-L143 PolarHBondContact O-N 2.95Å; N141-L143 PolarHBondContact O-N 2.97Å
144	I	73.3	Confident	79.7	Confident	25 Å²	25	76.6 Å²	76.6	13%	0.128	38%	0.381	C	S	.	.			trans	-125.1	105	179.6	-58.4	-169.1	0	0	0	110.6	I75 Y78 N141 M142 Y146 V151	I75-I144 HydrophobicContact CG1-CD1 4.43Å; Y78-I144 VanDerWaalsContact CB-CD1 3.48Å; Y78-I144 HydrophobicContact CD1-CD1 3.34Å; Y78-I144 HydrophobicContact CD1-CG1 4.33Å; Y78-I144 HydrophobicContact CD2-CB 4.48Å; Y78-I144 HydrophobicContact CD2-CD1 3.51Å; Y78-I144 HydrophobicContact CD2-CG1 3.64Å; Y78-I144 HydrophobicContact CE1-CD1 3.84Å; Y78-I144 HydrophobicContact CE2-CD1 4.01Å; Y78-I144 HydrophobicContact CE2-CG1 4.32Å; Y78-I144 HydrophobicContact CG-CD1 3.14Å; Y78-I144 HydrophobicContact CG-CG1 3.64Å; N141-I144 PolarHBondContact O-N 3.3Å; M142-I144 PolarHBondContact O-N 3.43Å; I144-Y146 WeakPolarHBondContact CG2-O 3.14Å; I144-Y146 PolarHBondContact O-N 3.06Å; I144-V151 HydrophobicContact CD1-CB 4.43Å; I144-V151 HydrophobicContact CD1-CG1 3.35Å; I144-V151 HydrophobicContact CD1-CG2 4.19Å; I144-V151 HydrophobicContact CG2-CG1 4.26Å
145	P	61.7	Low	81	Confident	95 Å²	95	69.5 Å²	69.5	62%	0.617	35%	0.35	S	S	*	.	S	Bend	trans	-68.6	-15.4	172.8	19.4	-25.7	0	0	0	113.9
146	Y	64.7	Low	82.2	Confident	155 Å²	155	74.3 Å²	74.3	61%	0.608	36%	0.358	S	S	*	.			trans	-132.1	106.3	-171.2	-53.1	-71.8	0	0	0	112.9	I144 T148	I144-Y146 WeakPolarHBondContact CG2-O 3.14Å; I144-Y146 PolarHBondContact O-N 3.06Å; Y146-T148 PolarHBondContact O-N 3.37Å
147	N	70.5	Confident	83.6	Confident	105 Å²	105	72.6 Å²	72.6	56%	0.561	35%	0.351	S	S	*	.			trans	-72.2	62.1	176.1	-165.6	21.5	0	0	0	112.4	R152	N147-R152 PolarHBondContact ND2-NE 2.95Å; N147-R152 PolarHBondContact O-NE 3.26Å; N147-R152 PolarHBondContact O-NH2 3.44Å; N147-R152 WeakPolarHBondContact OD1-CD 3.02Å; N147-R152 WeakPolarHBondContact OD1-CG 3.45Å
148	T	86.1	Confident	84.8	Confident	42 Å²	42	70.3 Å²	70.3	26%	0.258	34%	0.339	S	S	.	.			trans	-65.5	157.3	179.8	72.3	0	0	0	0	110.9	Y146 N150 V151 R152	Y146-T148 PolarHBondContact O-N 3.37Å; T148-N150 VanDerWaalsContact C-N 3.27Å; T148-N150 PolarHBondContact O-N 2.89Å; T148-V151 PolarHBondContact O-N 3.01Å; T148-V151 WeakPolarHBondContact OG1-CG2 3.47Å; T148-V151 PolarHBondContact OG1-N 3.18Å; T148-R152 PolarHBondContact O-N 3.45Å
149	F	90.2	Very high	85.7	Confident	129 Å²	129	73.5 Å²	73.5	57%	0.566	34%	0.344	S	S	*	.	H	α-helix	trans	-54.2	-43.6	178.5	176.8	-97.7	0	0	0	112.7	R152 R153	F149-R152 PolarHBondContact O-N 3.23Å; F149-R153 HydrophobicContact CE1-CG 4.29Å; F149-R153 HydrophobicContact CZ-CG 4.28Å; F149-R153 VanDerWaalsContact CZ-NE 3.34Å; F149-R153 PolarHBondContact O-N 2.96Å
150	N	90.8	Very high	86.6	Confident	49 Å²	49	71.2 Å²	71.2	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-40.7	-179.9	-64.6	-21	0	0	0	112	L60 I64 T148 R153 I154	L60-N150 HydrophobicContact CD2-CB 4.17Å; I64-N150 HydrophobicContact CD1-CB 3.75Å; I64-N150 HydrophobicContact CG1-CB 3.94Å; T148-N150 VanDerWaalsContact C-N 3.27Å; T148-N150 PolarHBondContact O-N 2.89Å; N150-R153 PolarHBondContact O-N 3.27Å; N150-I154 WeakPolarHBondContact O-CG1 3.28Å; N150-I154 PolarHBondContact O-N 2.92Å
151	V	90.4	Very high	87.1	Confident	2 Å²	2	73 Å²	73	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-42.9	176.2	169.1	0	0	0	0	111.2	I64 I75 Y78 I144 T148 R153 I154 N155	I64-V151 HydrophobicContact CD1-CG2 4.47Å; I75-V151 HydrophobicContact CD1-CG2 4.14Å; I75-V151 HydrophobicContact CG1-CG2 4.15Å; Y78-V151 HydrophobicContact CE1-CG1 4.2Å; I144-V151 HydrophobicContact CD1-CB 4.43Å; I144-V151 HydrophobicContact CD1-CG1 3.35Å; I144-V151 HydrophobicContact CD1-CG2 4.19Å; I144-V151 HydrophobicContact CG2-CG1 4.26Å; T148-V151 PolarHBondContact O-N 3.01Å; T148-V151 WeakPolarHBondContact OG1-CG2 3.47Å; T148-V151 PolarHBondContact OG1-N 3.18Å; V151-R153 VanDerWaalsContact C-N 3.27Å; V151-R153 PolarHBondContact O-N 2.97Å; V151-I154 PolarHBondContact O-N 2.87Å; V151-N155 PolarHBondContact O-N 2.81Å
152	R	91.6	Very high	87.8	Confident	140 Å²	140	70.9 Å²	70.9	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-57.8	-42.5	174.5	-74.3	-174.1	-117.7	174.8	-0.7	111.9	N147 T148 F149 N155 R156	N147-R152 PolarHBondContact ND2-NE 2.95Å; N147-R152 PolarHBondContact O-NE 3.26Å; N147-R152 PolarHBondContact O-NH2 3.44Å; N147-R152 WeakPolarHBondContact OD1-CD 3.02Å; N147-R152 WeakPolarHBondContact OD1-CG 3.45Å; T148-R152 PolarHBondContact O-N 3.45Å; F149-R152 PolarHBondContact O-N 3.23Å; R152-N155 PolarHBondContact O-N 3.21Å; R152-R156 PolarHBondContact O-N 3.01Å
153	R	94.8	Very high	88.5	Confident	106 Å²	106	66.1 Å²	66.1	40%	0.4	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-43.3	176.9	-80.2	-154.7	166.3	-158	5.5	112.1	E56 L60 F149 N150 V151 N155 R156 Q157	E56-R153 IonicContact OE1-CZ 2.81Å; E56-R153 IonicContact OE1-NH1 2.78Å; E56-R153 PolarHBondContact OE1-NH1 3.44Å; L60-R153 HydrophobicContact CD1-CB 3.52Å; L60-R153 HydrophobicContact CD2-CB 4.41Å; F149-R153 HydrophobicContact CE1-CG 4.29Å; F149-R153 HydrophobicContact CZ-CG 4.28Å; F149-R153 VanDerWaalsContact CZ-NE 3.34Å; F149-R153 PolarHBondContact O-N 2.96Å; N150-R153 PolarHBondContact O-N 3.27Å; V151-R153 VanDerWaalsContact C-N 3.27Å; V151-R153 PolarHBondContact O-N 2.97Å; R153-N155 PolarHBondContact O-N 3.46Å; R153-R156 WeakPolarHBondContact O-CB 3.48Å; R153-R156 PolarHBondContact O-N 3.5Å; R153-Q157 WeakPolarHBondContact O-CG 3.19Å; R153-Q157 PolarHBondContact O-N 3.3Å
154	I	94.2	Very high	89.3	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-50.7	173.6	-70.3	172	0	0	0	110.1	L60 R61 I64 I75 N150 V151 R156 Q157 I158	L60-I154 HydrophobicContact CB-CD1 3.96Å; L60-I154 HydrophobicContact CB-CG1 3.7Å; L60-I154 HydrophobicContact CD1-CG1 3.9Å; L60-I154 HydrophobicContact CG-CG1 4.45Å; R61-I154 HydrophobicContact CG-CD1 4.17Å; I64-I154 HydrophobicContact CD1-CD1 3.81Å; I75-I154 HydrophobicContact CG2-CD1 4.09Å; N150-I154 WeakPolarHBondContact O-CG1 3.28Å; N150-I154 PolarHBondContact O-N 2.92Å; V151-I154 PolarHBondContact O-N 2.87Å; I154-R156 VanDerWaalsContact C-N 3.28Å; I154-R156 PolarHBondContact O-N 3.34Å; I154-Q157 PolarHBondContact O-N 3.33Å; I154-I158 HydrophobicContact CG2-CD1 3.83Å; I154-I158 HydrophobicContact CG2-CG1 4.26Å; I154-I158 WeakPolarHBondContact O-CG1 3.45Å; I154-I158 PolarHBondContact O-N 2.71Å
155	N	93.2	Very high	90.5	Very high	40 Å²	40	65.9 Å²	65.9	21%	0.214	30%	0.298	C	S	.	.	H	α-helix	trans	-57.1	-40.8	177.9	-176.8	33.9	0	0	0	112.5	Y78 R82 V151 R152 R153 I158 K159	Y78-N155 HydrophobicContact CE1-CB 4.15Å; Y78-N155 WeakPolarHBondContact OH-CB 3.35Å; Y78-N155 PolarHBondContact OH-ND2 3.48Å; R82-N155 PolarHBondContact NE-OD1 2.79Å; R82-N155 PolarHBondContact NH2-OD1 3.41Å; V151-N155 PolarHBondContact O-N 2.81Å; R152-N155 PolarHBondContact O-N 3.21Å; R153-N155 PolarHBondContact O-N 3.46Å; N155-I158 PolarHBondContact O-N 3.31Å; N155-K159 PolarHBondContact O-N 3.47Å; N155-K159 VanDerWaalsContact O-N 3.08Å
156	R	95.7	Very high	92.1	Very high	163 Å²	163	62.8 Å²	62.8	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-62.3	-44.3	174.2	-178.8	179.2	178.8	173.8	0.1	111.6	R152 R153 I154 K159 L160	R152-R156 PolarHBondContact O-N 3.01Å; R153-R156 WeakPolarHBondContact O-CB 3.48Å; R153-R156 PolarHBondContact O-N 3.5Å; I154-R156 VanDerWaalsContact C-N 3.28Å; I154-R156 PolarHBondContact O-N 3.34Å; R156-K159 PolarHBondContact O-N 3.33Å; R156-L160 HydrophobicContact CG-CD1 3.91Å; R156-L160 HydrophobicContact CG-CG 4.38Å; R156-L160 WeakPolarHBondContact O-CB 3.26Å; R156-L160 VanDerWaalsContact O-CG 3.29Å; R156-L160 WeakPolarHBondContact O-CG 3.44Å; R156-L160 PolarHBondContact O-N 2.03Å
157	Q	97.8	Very high	93.7	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.065	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-36.4	179.9	-65.1	-51.4	-27.2	0	0	112.6	S53 E56 M57 R153 I154 L160 K161	S53-Q157 PolarHBondContact OG-OE1 3.32Å; E56-Q157 HydrophobicContact CB-CG 4.19Å; E56-Q157 HydrophobicContact CG-CG 4.09Å; E56-Q157 PolarHBondContact OE1-NE2 3.44Å; E56-Q157 VanDerWaalsContact OE2-CD 3.31Å; E56-Q157 PolarHBondContact OE2-NE2 2.84Å; M57-Q157 HydrophobicContact CG-CB 3.36Å; M57-Q157 HydrophobicContact CG-CG 4.19Å; M57-Q157 HydrophobicContact SD-CB 3.93Å; R153-Q157 WeakPolarHBondContact O-CG 3.19Å; R153-Q157 PolarHBondContact O-N 3.3Å; I154-Q157 PolarHBondContact O-N 3.33Å; Q157-L160 PolarHBondContact O-N 3.39Å; Q157-K161 VanDerWaalsContact O-CB 3.26Å; Q157-K161 WeakPolarHBondContact O-CB 3.22Å; Q157-K161 PolarHBondContact O-N 3.37Å
158	I	96.4	Very high	94.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-52.7	171.2	-66.1	170.1	0	0	0	109.9	M57 T79 R82 W86 I154 N155 L160 K161 Y162	M57-I158 HydrophobicContact SD-CB 4.44Å; M57-I158 HydrophobicContact SD-CG1 3.56Å; M57-I158 VanDerWaalsContact SD-CG1 3.56Å; T79-I158 HydrophobicContact CG2-CD1 3.55Å; T79-I158 HydrophobicContact CG2-CG1 4.19Å; R82-I158 HydrophobicContact CB-CD1 3.86Å; R82-I158 HydrophobicContact CB-CG2 4.13Å; W86-I158 HydrophobicContact CG-CG2 4.46Å; I154-I158 HydrophobicContact CG2-CD1 3.83Å; I154-I158 HydrophobicContact CG2-CG1 4.26Å; I154-I158 WeakPolarHBondContact O-CG1 3.45Å; I154-I158 PolarHBondContact O-N 2.71Å; N155-I158 PolarHBondContact O-N 3.31Å; I158-L160 VanDerWaalsContact C-N 3.35Å; I158-L160 PolarHBondContact O-N 3.02Å; I158-K161 PolarHBondContact O-N 2.83Å; I158-Y162 HydrophobicContact CG2-CD2 3.92Å; I158-Y162 HydrophobicContact CG2-CE2 3.95Å; I158-Y162 VanDerWaalsContact O-CD2 3.28Å; I158-Y162 WeakPolarHBondContact O-CD2 3.45Å; I158-Y162 PolarHBondContact O-N 3.33Å; I158-Y162 VanDerWaalsContact O-N 3.15Å
159	K	95.8	Very high	95.4	Very high	97 Å²	97	58.7 Å²	58.7	42%	0.422	25%	0.253	S	S	.	.	H	α-helix	trans	-54.9	-51.4	177	171.2	175	-176.9	177	0	111.4	W86 N155 R156 K161 Y162 I163	W86-K159 HydrophobicContact CD2-CB 4.19Å; W86-K159 HydrophobicContact CD2-CG 4.25Å; W86-K159 HydrophobicContact CE3-CG 4.33Å; W86-K159 HydrophobicContact CH2-CB 4.34Å; W86-K159 HydrophobicContact CH2-CD 3.57Å; W86-K159 HydrophobicContact CH2-CG 3.56Å; W86-K159 HydrophobicContact CZ2-CB 3.71Å; W86-K159 HydrophobicContact CZ2-CD 3.45Å; W86-K159 VanDerWaalsContact CZ2-CD 3.45Å; W86-K159 HydrophobicContact CZ2-CG 3.41Å; W86-K159 VanDerWaalsContact CZ2-CG 3.41Å; W86-K159 HydrophobicContact CZ3-CD 4.43Å; W86-K159 HydrophobicContact CZ3-CG 3.99Å; N155-K159 PolarHBondContact O-N 3.47Å; N155-K159 VanDerWaalsContact O-N 3.08Å; R156-K159 PolarHBondContact O-N 3.33Å; K159-K161 VanDerWaalsContact C-N 3.33Å; K159-K161 PolarHBondContact O-N 3.48Å; K159-Y162 PolarHBondContact O-N 3.08Å; K159-I163 HydrophobicContact CD-CD1 4.34Å; K159-I163 HydrophobicContact CG-CD1 3.7Å; K159-I163 WeakPolarHBondContact O-CG1 3.46Å; K159-I163 PolarHBondContact O-N 2.99Å; K159-I163 VanDerWaalsContact O-N 3.12Å
160	L	98.1	Very high	95.7	Very high	44 Å²	44	53.3 Å²	53.3	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-40.5	-177.1	-73.8	173	0	0	0	111.8	R156 Q157 I158 R164	R156-L160 HydrophobicContact CG-CD1 3.91Å; R156-L160 HydrophobicContact CG-CG 4.38Å; R156-L160 WeakPolarHBondContact O-CB 3.26Å; R156-L160 VanDerWaalsContact O-CG 3.29Å; R156-L160 WeakPolarHBondContact O-CG 3.44Å; R156-L160 PolarHBondContact O-N 2.03Å; Q157-L160 PolarHBondContact O-N 3.39Å; I158-L160 VanDerWaalsContact C-N 3.35Å; I158-L160 PolarHBondContact O-N 3.02Å; L160-R164 WeakPolarHBondContact O-CB 3.46Å; L160-R164 WeakPolarHBondContact O-CD 3.23Å; L160-R164 WeakPolarHBondContact O-CG 3.05Å; L160-R164 PolarHBondContact O-N 2.83Å
161	K	98.3	Very high	96.1	Very high	37 Å²	37	51.7 Å²	51.7	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-58.3	175.9	173.6	173.1	-178.8	164.2	0	110.7	I50 D54 M57 Q157 I158 K159 I163 R164 D165	I50-K161 HydrophobicContact CG2-CG 4.3Å; D54-K161 VanDerWaalsContact OD1-CD 3.29Å; D54-K161 WeakPolarHBondContact OD1-CD 3.45Å; D54-K161 WeakPolarHBondContact OD1-CE 3.39Å; D54-K161 IonicContact OD1-NZ 3.79Å; D54-K161 PolarHBondContact OD1-NZ 2.89Å; D54-K161 IonicContact OD2-NZ 3.29Å; D54-K161 PolarHBondContact OD2-NZ 3.49Å; M57-K161 HydrophobicContact CE-CD 3.85Å; Q157-K161 VanDerWaalsContact O-CB 3.26Å; Q157-K161 WeakPolarHBondContact O-CB 3.22Å; Q157-K161 PolarHBondContact O-N 3.37Å; I158-K161 PolarHBondContact O-N 2.83Å; K159-K161 VanDerWaalsContact C-N 3.33Å; K159-K161 PolarHBondContact O-N 3.48Å; K161-I163 VanDerWaalsContact C-N 3.34Å; K161-I163 PolarHBondContact O-N 3.21Å; K161-R164 CarbonylContact O-C 3.59Å; K161-R164 WeakPolarHBondContact O-CA 3.35Å; K161-R164 WeakPolarHBondContact O-CB 3.29Å; K161-R164 PolarHBondContact O-N 3.44Å; K161-D165 PolarHBondContact O-N 2.98Å
162	Y	97	Very high	96.3	Very high	35 Å²	35	54.2 Å²	54.2	14%	0.137	24%	0.238	C	C	.	.	H	α-helix	trans	-71.4	-27	-172.8	-73	-65.6	0	0	0	114.1	S83 W86 I87 T90 I158 K159 D165 K166	S83-Y162 WeakPolarHBondContact CB-OH 3.42Å; S83-Y162 WeakPolarHBondContact OG-CE2 3.49Å; W86-Y162 HydrophobicContact CB-CD2 3.63Å; W86-Y162 HydrophobicContact CB-CG 3.89Å; I87-Y162 HydrophobicContact CD1-CE1 3.73Å; I87-Y162 HydrophobicContact CG1-CD1 3.6Å; I87-Y162 HydrophobicContact CG1-CE1 3.18Å; I87-Y162 HydrophobicContact CG1-CE2 4.34Å; I87-Y162 HydrophobicContact CG1-CG 4.34Å; T90-Y162 WeakPolarHBondContact CG2-O 3.26Å; I158-Y162 HydrophobicContact CG2-CD2 3.92Å; I158-Y162 HydrophobicContact CG2-CE2 3.95Å; I158-Y162 VanDerWaalsContact O-CD2 3.28Å; I158-Y162 WeakPolarHBondContact O-CD2 3.45Å; I158-Y162 PolarHBondContact O-N 3.33Å; I158-Y162 VanDerWaalsContact O-N 3.15Å; K159-Y162 PolarHBondContact O-N 3.08Å; Y162-D165 WeakPolarHBondContact CD1-OD2 3.34Å; Y162-K166 PolarHBondContact O-N 3.47Å
163	I	97.6	Very high	96.6	Very high	52 Å²	52	47.8 Å²	47.8	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-45	168.4	-69.5	171.1	0	0	0	110	W86 T90 K159 K161 K166 D167	W86-I163 HydrophobicContact CZ3-CD1 4.28Å; W86-I163 HydrophobicContact CZ3-CG1 4.36Å; T90-I163 HydrophobicContact CG2-CG1 4.5Å; K159-I163 HydrophobicContact CD-CD1 4.34Å; K159-I163 HydrophobicContact CG-CD1 3.7Å; K159-I163 WeakPolarHBondContact O-CG1 3.46Å; K159-I163 PolarHBondContact O-N 2.99Å; K159-I163 VanDerWaalsContact O-N 3.12Å; K161-I163 VanDerWaalsContact C-N 3.34Å; K161-I163 PolarHBondContact O-N 3.21Å; I163-K166 WeakPolarHBondContact O-CB 2.8Å; I163-K166 PolarHBondContact O-N 3.47Å; I163-D167 VanDerWaalsContact O-CG 3.23Å; I163-D167 PolarHBondContact O-N 2.73Å
164	R	98.1	Very high	96.7	Very high	52 Å²	52	44.6 Å²	44.6	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-69.7	-34.2	178.4	-66.5	160	-178.5	165	6.3	112.5	Y46 K49 I50 S53 L160 K161 K166 D167 L168	Y46-R164 HydrophobicContact CD1-CB 4.29Å; Y46-R164 HydrophobicContact CD1-CG 4.33Å; K49-R164 HydrophobicContact CB-CG 4.48Å; K49-R164 PolarHBondContact O-NH1 2.96Å; I50-R164 HydrophobicContact CD1-CB 4.26Å; I50-R164 HydrophobicContact CG1-CB 3.72Å; S53-R164 PolarHBondContact OG-NH1 2.92Å; L160-R164 WeakPolarHBondContact O-CB 3.46Å; L160-R164 WeakPolarHBondContact O-CD 3.23Å; L160-R164 WeakPolarHBondContact O-CG 3.05Å; L160-R164 PolarHBondContact O-N 2.83Å; K161-R164 CarbonylContact O-C 3.59Å; K161-R164 WeakPolarHBondContact O-CA 3.35Å; K161-R164 WeakPolarHBondContact O-CB 3.29Å; K161-R164 PolarHBondContact O-N 3.44Å; R164-K166 VanDerWaalsContact C-N 3.3Å; R164-D167 PolarHBondContact O-N 3.39Å; R164-L168 VanDerWaalsContact O-CB 3.31Å; R164-L168 WeakPolarHBondContact O-CB 3.5Å; R164-L168 PolarHBondContact O-N 2.98Å
165	D	96.7	Very high	96.8	Very high	26 Å²	26	46.6 Å²	46.6	14%	0.139	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-45.6	171.6	-69.6	-14.4	0	0	0	109.4	I50 K161 Y162 D167 L168 Y169	I50-D165 WeakPolarHBondContact CD1-OD1 3.43Å; I50-D165 WeakPolarHBondContact CG1-OD1 3.42Å; I50-D165 WeakPolarHBondContact CG2-OD1 3.33Å; K161-D165 PolarHBondContact O-N 2.98Å; Y162-D165 WeakPolarHBondContact CD1-OD2 3.34Å; D165-D167 PolarHBondContact O-N 2.87Å; D165-L168 WeakPolarHBondContact O-CB 3.5Å; D165-L168 PolarHBondContact O-N 3.4Å; D165-Y169 HydrophobicContact CB-CE2 4.36Å; D165-Y169 WeakPolarHBondContact O-CD2 3.08Å; D165-Y169 PolarHBondContact O-N 3.33Å
166	K	96	Very high	97	Very high	30 Å²	30	47.1 Å²	47.1	13%	0.13	22%	0.219	C	C	.	.	H	α-helix	trans	-55.1	-51.8	173.8	-162	-157.7	63.9	144.5	0	111.5	T90 Q93 F94 D97 Y162 I163 R164 L168 Y169 I170	T90-K166 HydrophobicContact CG2-CB 4.43Å; Q93-K166 HydrophobicContact CB-CD 3.77Å; F94-K166 HydrophobicContact CB-CG 3.84Å; D97-K166 IonicContact OD2-NZ 2.83Å; D97-K166 PolarHBondContact OD2-NZ 3.29Å; Y162-K166 PolarHBondContact O-N 3.47Å; I163-K166 WeakPolarHBondContact O-CB 2.8Å; I163-K166 PolarHBondContact O-N 3.47Å; R164-K166 VanDerWaalsContact C-N 3.3Å; K166-L168 VanDerWaalsContact C-N 3.33Å; K166-L168 PolarHBondContact O-N 3.49Å; K166-Y169 PolarHBondContact O-N 3.39Å; K166-I170 HydrophobicContact CD-CD1 4.38Å; K166-I170 HydrophobicContact CG-CD1 4.33Å; K166-I170 WeakPolarHBondContact O-CG1 3.27Å; K166-I170 PolarHBondContact O-N 2.89Å
167	D	97.9	Very high	97.1	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.214	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-38.8	-177	-59	-26.2	0	0	0	111.3	Y46 I163 R164 D165 Y169 I170 E171	Y46-D167 HydrophobicContact CD1-CB 4.06Å; Y46-D167 HydrophobicContact CD2-CB 4.08Å; Y46-D167 HydrophobicContact CE1-CB 3.7Å; Y46-D167 HydrophobicContact CE2-CB 3.73Å; Y46-D167 HydrophobicContact CG-CB 4.26Å; I163-D167 VanDerWaalsContact O-CG 3.23Å; I163-D167 PolarHBondContact O-N 2.73Å; R164-D167 PolarHBondContact O-N 3.39Å; D165-D167 PolarHBondContact O-N 2.87Å; D167-Y169 PolarHBondContact O-N 3.37Å; D167-I170 PolarHBondContact O-N 2.85Å; D167-E171 WeakPolarHBondContact O-CG 3.35Å; D167-E171 PolarHBondContact O-N 2.98Å
168	L	97.5	Very high	97.1	Very high	41 Å²	41	38.7 Å²	38.7	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-58.2	-46.2	171.7	175.6	62	0	0	0	111.6	M43 I50 R164 D165 K166 I170 E171 S172	M43-L168 HydrophobicContact CB-CD1 3.68Å; M43-L168 HydrophobicContact CG-CD1 3.88Å; M43-L168 WeakPolarHBondContact O-CD1 3.5Å; I50-L168 HydrophobicContact CD1-CB 4.23Å; I50-L168 HydrophobicContact CD1-CD2 3.69Å; R164-L168 VanDerWaalsContact O-CB 3.31Å; R164-L168 WeakPolarHBondContact O-CB 3.5Å; R164-L168 PolarHBondContact O-N 2.98Å; D165-L168 WeakPolarHBondContact O-CB 3.5Å; D165-L168 PolarHBondContact O-N 3.4Å; K166-L168 VanDerWaalsContact C-N 3.33Å; K166-L168 PolarHBondContact O-N 3.49Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 2.94Å; L168-E171 PolarHBondContact O-N 3.21Å; L168-S172 WeakPolarHBondContact O-CB 3.43Å; L168-S172 PolarHBondContact O-N 3.37Å
169	Y	95.6	Very high	97.1	Very high	135 Å²	135	40.7 Å²	40.7	53%	0.529	20%	0.201	S	C	.	.	H	α-helix	trans	-66.1	-35.1	177.9	-73	-58.5	0	0	0	112.8	F94 D165 K166 D167 S172 F173	F94-Y169 HydrophobicContact CE1-CG 4.4Å; F94-Y169 HydrophobicContact CZ-CG 4.47Å; D165-Y169 HydrophobicContact CB-CE2 4.36Å; D165-Y169 WeakPolarHBondContact O-CD2 3.08Å; D165-Y169 PolarHBondContact O-N 3.33Å; K166-Y169 PolarHBondContact O-N 3.39Å; D167-Y169 PolarHBondContact O-N 3.37Å; Y169-S172 PolarHBondContact O-N 3.49Å; Y169-F173 WeakPolarHBondContact O-CB 3.4Å; Y169-F173 PolarHBondContact O-N 2.72Å
170	I	96.8	Very high	97.2	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-47.6	173.5	-69.4	168.3	0	0	0	110.6	F94 D97 L101 K166 D167 L168 S172 F173 K174	F94-I170 HydrophobicContact CD2-CD1 4.43Å; F94-I170 HydrophobicContact CD2-CG1 3.56Å; F94-I170 HydrophobicContact CE2-CG1 3.81Å; D97-I170 HydrophobicContact CB-CD1 3.8Å; D97-I170 HydrophobicContact CB-CG1 4.23Å; D97-I170 VanDerWaalsContact OD2-CD1 3.27Å; D97-I170 WeakPolarHBondContact OD2-CD1 3.28Å; L101-I170 HydrophobicContact CD1-CG2 3.86Å; K166-I170 HydrophobicContact CD-CD1 4.38Å; K166-I170 HydrophobicContact CG-CD1 4.33Å; K166-I170 WeakPolarHBondContact O-CG1 3.27Å; K166-I170 PolarHBondContact O-N 2.89Å; D167-I170 PolarHBondContact O-N 2.85Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 2.94Å; I170-S172 VanDerWaalsContact C-N 3.34Å; I170-S172 PolarHBondContact O-N 2.8Å; I170-F173 WeakPolarHBondContact O-CB 3.24Å; I170-F173 PolarHBondContact O-N 2.77Å; I170-K174 WeakPolarHBondContact O-CG 3.48Å; I170-K174 PolarHBondContact O-N 3.14Å
171	E	97.9	Very high	97.1	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.065	19%	0.186	C	C	.	.	H	α-helix	trans	-67.4	-36.2	179.5	-66.2	-57.1	142.4	0	0	112.1	S39 Q42 M43 Y46 D167 L168 F173 K174 H175	S39-E171 WeakPolarHBondContact CB-OE2 3.32Å; S39-E171 PolarHBondContact OG-OE2 3.26Å; Q42-E171 HydrophobicContact CB-CB 4.41Å; Q42-E171 HydrophobicContact CB-CG 3.76Å; M43-E171 HydrophobicContact CG-CB 3.77Å; Y46-E171 HydrophobicContact CD2-CG 4.34Å; Y46-E171 HydrophobicContact CE2-CG 3.96Å; D167-E171 WeakPolarHBondContact O-CG 3.35Å; D167-E171 PolarHBondContact O-N 2.98Å; L168-E171 PolarHBondContact O-N 3.21Å; E171-F173 VanDerWaalsContact C-N 3.33Å; E171-F173 PolarHBondContact O-N 3.35Å; E171-K174 PolarHBondContact O-N 3.21Å; E171-K174 IonicContact OE1-NZ 3.86Å; E171-K174 PolarHBondContact OE1-NZ 3.36Å; E171-K174 IonicContact OE2-NZ 3.68Å; E171-H175 WeakPolarHBondContact O-CB 3.09Å; E171-H175 PolarHBondContact O-N 2.91Å
172	S	96.5	Very high	96.9	Very high	56 Å²	56	36.7 Å²	36.7	39%	0.392	18%	0.182	S	C	.	.	H	α-helix	trans	-62.9	-39.7	171.8	-177.4	0	0	0	0	112.3	M43 L168 Y169 I170 S176	M43-S172 VanDerWaalsContact SD-CA 3.56Å; L168-S172 WeakPolarHBondContact O-CB 3.43Å; L168-S172 PolarHBondContact O-N 3.37Å; Y169-S172 PolarHBondContact O-N 3.49Å; I170-S172 VanDerWaalsContact C-N 3.34Å; I170-S172 PolarHBondContact O-N 2.8Å; S172-S176 WeakPolarHBondContact O-CB 3.45Å; S172-S176 PolarHBondContact O-N 3.2Å
173	F	96.4	Very high	96.8	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.022	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-48.7	174.3	179.1	-93.9	0	0	0	111.8	I98 L101 Q102 Y114 L119 Y169 I170 E171 H175 S176 Y177	I98-F173 HydrophobicContact CB-CD1 4.38Å; I98-F173 HydrophobicContact CB-CD2 4.48Å; I98-F173 HydrophobicContact CB-CE1 4.4Å; I98-F173 HydrophobicContact CB-CE2 4.47Å; I98-F173 HydrophobicContact CB-CG 4.44Å; I98-F173 HydrophobicContact CB-CZ 4.46Å; I98-F173 HydrophobicContact CG2-CB 4.27Å; I98-F173 HydrophobicContact CG2-CD1 4.12Å; I98-F173 HydrophobicContact CG2-CD2 4.19Å; I98-F173 HydrophobicContact CG2-CG 3.91Å; L101-F173 HydrophobicContact CB-CD1 4.4Å; L101-F173 HydrophobicContact CB-CE1 4.07Å; L101-F173 HydrophobicContact CD1-CD1 4.26Å; Q102-F173 HydrophobicContact CG-CE1 4.04Å; Q102-F173 HydrophobicContact CG-CE2 4.37Å; Q102-F173 HydrophobicContact CG-CZ 3.41Å; Q102-F173 VanDerWaalsContact CG-CZ 3.41Å; Y114-F173 HydrophobicContact CD1-CE2 4.33Å; Y114-F173 HydrophobicContact CD1-CZ 4.42Å; Y114-F173 HydrophobicContact CE1-CD2 4.37Å; Y114-F173 AromaticContact CE1-CE2 3.58Å; Y114-F173 HydrophobicContact CE1-CE2 3.58Å; Y114-F173 HydrophobicContact CE1-CZ 4.05Å; L119-F173 HydrophobicContact CD2-CD2 3.62Å; L119-F173 HydrophobicContact CD2-CE2 4.2Å; Y169-F173 WeakPolarHBondContact O-CB 3.4Å; Y169-F173 PolarHBondContact O-N 2.72Å; I170-F173 WeakPolarHBondContact O-CB 3.24Å; I170-F173 PolarHBondContact O-N 2.77Å; E171-F173 VanDerWaalsContact C-N 3.33Å; E171-F173 PolarHBondContact O-N 3.35Å; F173-H175 PolarHBondContact O-N 3.5Å; F173-S176 PolarHBondContact O-N 3.17Å; F173-Y177 AromaticContact CE1-CD2 3.97Å; F173-Y177 HydrophobicContact CE1-CD2 3.97Å; F173-Y177 HydrophobicContact CE2-CD2 4.5Å; F173-Y177 AromaticContact CZ-CD2 3.64Å; F173-Y177 HydrophobicContact CZ-CD2 3.64Å; F173-Y177 HydrophobicContact CZ-CE2 4.3Å; F173-Y177 WeakPolarHBondContact O-CB 3.46Å; F173-Y177 PolarHBondContact O-N 3.24Å
174	K	97.3	Very high	96.6	Very high	39 Å²	39	39.7 Å²	39.7	17%	0.17	20%	0.199	C	C	.	.	H	α-helix	trans	-57.1	-50.9	176.3	-71.5	-178.5	-176	167	0	111.2	L101 I170 E171 S176 Y177 L178	L101-K174 HydrophobicContact CD1-CG 3.95Å; I170-K174 WeakPolarHBondContact O-CG 3.48Å; I170-K174 PolarHBondContact O-N 3.14Å; E171-K174 PolarHBondContact O-N 3.21Å; E171-K174 IonicContact OE1-NZ 3.86Å; E171-K174 PolarHBondContact OE1-NZ 3.36Å; E171-K174 IonicContact OE2-NZ 3.68Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.37Å; K174-Y177 PolarHBondContact O-N 2.91Å; K174-L178 HydrophobicContact CB-CD1 4.31Å; K174-L178 VanDerWaalsContact O-CB 3.31Å; K174-L178 WeakPolarHBondContact O-CB 3.12Å; K174-L178 VanDerWaalsContact O-CG 3.22Å; K174-L178 WeakPolarHBondContact O-CG 3.3Å; K174-L178 PolarHBondContact O-N 3.14Å
175	H	97.6	Very high	96.2	Very high	43 Å²	43	38.2 Å²	38.2	20%	0.199	20%	0.195	C	C	.	.	H	α-helix	trans	-52.6	-50	178.3	178.7	-85.1	0	0	0	111.8	E40 M43 E171 F173 S179	E40-H175 WeakPolarHBondContact CG-CD2 3.35Å; E40-H175 WeakPolarHBondContact CG-NE2 3.39Å; E40-H175 IonicContact OE1-CD2 2.99Å; E40-H175 IonicContact OE1-CE1 2.85Å; E40-H175 IonicContact OE1-NE2 3.92Å; E40-H175 PolarHBondContact OE1-NE2 3.04Å; M43-H175 HydrophobicContact CE-CB 4.28Å; E171-H175 WeakPolarHBondContact O-CB 3.09Å; E171-H175 PolarHBondContact O-N 2.91Å; F173-H175 PolarHBondContact O-N 3.5Å; H175-S179 WeakPolarHBondContact O-CB 3.31Å; H175-S179 PolarHBondContact O-N 2.98Å; H175-S179 PolarHBondContact O-OG 2.87Å
176	S	96.6	Very high	95.9	Very high	51 Å²	51	41.8 Å²	41.8	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-45.2	179.8	-178.9	0	0	0	0	112.3	Y114 S172 F173 K174 K180	Y114-S176 WeakPolarHBondContact OH-CB 3.46Å; Y114-S176 PolarHBondContact OH-OG 3.29Å; S172-S176 WeakPolarHBondContact O-CB 3.45Å; S172-S176 PolarHBondContact O-N 3.2Å; F173-S176 PolarHBondContact O-N 3.17Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.37Å; S176-K180 PolarHBondContact O-N 3.43Å; S176-K180 VanDerWaalsContact O-N 3.16Å
177	Y	97.2	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-49.6	-179.1	-154.4	-55.6	0	0	0	111.5	Q102 Y105 V112 Y114 F173 K174 S179 K180 I181	Q102-Y177 HydrophobicContact CG-CE2 4.11Å; Y105-Y177 AromaticContact CD2-CD1 3.64Å; Y105-Y177 HydrophobicContact CD2-CD1 3.64Å; Y105-Y177 AromaticContact CD2-CD2 3.87Å; Y105-Y177 HydrophobicContact CD2-CD2 3.87Å; Y105-Y177 HydrophobicContact CD2-CE1 4.11Å; Y105-Y177 HydrophobicContact CD2-CE2 4.28Å; Y105-Y177 AromaticContact CD2-CG 3.53Å; Y105-Y177 HydrophobicContact CD2-CG 3.53Å; Y105-Y177 HydrophobicContact CE2-CD1 4.46Å; Y105-Y177 HydrophobicContact CE2-CG 4.14Å; Y105-Y177 HydrophobicContact CG-CD1 4.12Å; Y105-Y177 HydrophobicContact CG-CE1 4.24Å; Y105-Y177 HydrophobicContact CG-CG 4.43Å; V112-Y177 HydrophobicContact CG1-CE1 4.35Å; Y114-Y177 AromaticContact CD1-CD2 3.4Å; Y114-Y177 HydrophobicContact CD1-CD2 3.4Å; Y114-Y177 VanDerWaalsContact CD1-CD2 3.4Å; Y114-Y177 AromaticContact CD1-CE2 3.58Å; Y114-Y177 HydrophobicContact CD1-CE2 3.58Å; Y114-Y177 HydrophobicContact CD1-CG 4.26Å; Y114-Y177 HydrophobicContact CD2-CD1 4.31Å; Y114-Y177 AromaticContact CD2-CD2 3.8Å; Y114-Y177 HydrophobicContact CD2-CD2 3.8Å; Y114-Y177 HydrophobicContact CD2-CE2 4.28Å; Y114-Y177 AromaticContact CD2-CG 3.82Å; Y114-Y177 HydrophobicContact CD2-CG 3.82Å; Y114-Y177 AromaticContact CE1-CD2 3.91Å; Y114-Y177 HydrophobicContact CE1-CD2 3.91Å; Y114-Y177 HydrophobicContact CE1-CE2 4.48Å; Y114-Y177 HydrophobicContact CE2-CD2 4.26Å; Y114-Y177 HydrophobicContact CE2-CG 4.23Å; Y114-Y177 HydrophobicContact CG-CD1 4.35Å; Y114-Y177 AromaticContact CG-CD2 3.35Å; Y114-Y177 HydrophobicContact CG-CD2 3.35Å; Y114-Y177 HydrophobicContact CG-CE1 4.41Å; Y114-Y177 AromaticContact CG-CE2 3.45Å; Y114-Y177 HydrophobicContact CG-CE2 3.45Å; Y114-Y177 VanDerWaalsContact CG-CE2 3.45Å; Y114-Y177 AromaticContact CG-CG 3.84Å; Y114-Y177 HydrophobicContact CG-CG 3.84Å; Y114-Y177 AromaticContact CG-CZ 3.99Å; F173-Y177 AromaticContact CE1-CD2 3.97Å; F173-Y177 HydrophobicContact CE1-CD2 3.97Å; F173-Y177 HydrophobicContact CE2-CD2 4.5Å; F173-Y177 AromaticContact CZ-CD2 3.64Å; F173-Y177 HydrophobicContact CZ-CD2 3.64Å; F173-Y177 HydrophobicContact CZ-CE2 4.3Å; F173-Y177 WeakPolarHBondContact O-CB 3.46Å; F173-Y177 PolarHBondContact O-N 3.24Å; K174-Y177 PolarHBondContact O-N 2.91Å; Y177-S179 VanDerWaalsContact C-N 3.3Å; Y177-S179 PolarHBondContact O-N 2.89Å; Y177-K180 WeakPolarHBondContact O-CA 3.35Å; Y177-K180 WeakPolarHBondContact O-CB 3.35Å; Y177-K180 PolarHBondContact O-N 3.09Å; Y177-I181 HydrophobicContact CD1-CD1 3.54Å; Y177-I181 HydrophobicContact CD1-CG1 3.86Å; Y177-I181 HydrophobicContact CE1-CD1 3.81Å; Y177-I181 HydrophobicContact CE1-CG1 4Å; Y177-I181 WeakPolarHBondContact O-CG1 3.47Å; Y177-I181 PolarHBondContact O-N 2.89Å
178	L	97.5	Very high	94.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-38.9	179	-66.2	169.7	0	0	0	111.4	L32 E35 I36 Y105 K174 K180 I181 L182	L32-L178 HydrophobicContact CD2-CD2 3.64Å; E35-L178 HydrophobicContact CB-CD1 4Å; E35-L178 HydrophobicContact CG-CD1 3.54Å; I36-L178 HydrophobicContact CD1-CB 4.08Å; I36-L178 HydrophobicContact CG1-CB 3.57Å; I36-L178 HydrophobicContact CG1-CD1 4.45Å; Y105-L178 HydrophobicContact CE1-CD2 3.96Å; Y105-L178 HydrophobicContact CE2-CD2 4.44Å; Y105-L178 HydrophobicContact CE2-CG 4.44Å; K174-L178 HydrophobicContact CB-CD1 4.31Å; K174-L178 VanDerWaalsContact O-CB 3.31Å; K174-L178 WeakPolarHBondContact O-CB 3.12Å; K174-L178 VanDerWaalsContact O-CG 3.22Å; K174-L178 WeakPolarHBondContact O-CG 3.3Å; K174-L178 PolarHBondContact O-N 3.14Å; L178-K180 VanDerWaalsContact C-N 3.27Å; L178-K180 PolarHBondContact O-N 3.29Å; L178-I181 HydrophobicContact CD2-CD1 4.19Å; L178-I181 WeakPolarHBondContact O-CB 3.47Å; L178-I181 PolarHBondContact O-N 2.83Å; L178-L182 WeakPolarHBondContact O-CB 3.34Å; L178-L182 PolarHBondContact O-N 3.3Å
179	S	97.4	Very high	93.9	Very high	41 Å²	41	48.2 Å²	48.2	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-39.4	172.8	-65.9	0	0	0	0	111.7	H175 Y177 L182 E183	H175-S179 WeakPolarHBondContact O-CB 3.31Å; H175-S179 PolarHBondContact O-N 2.98Å; H175-S179 PolarHBondContact O-OG 2.87Å; Y177-S179 VanDerWaalsContact C-N 3.3Å; Y177-S179 PolarHBondContact O-N 2.89Å; S179-L182 PolarHBondContact O-N 2.82Å; S179-E183 PolarHBondContact O-N 3.12Å
180	K	96.5	Very high	93.1	Very high	78 Å²	78	45.3 Å²	45.3	34%	0.339	23%	0.234	S	C	.	.	H	α-helix	trans	-67.5	-41.1	175.7	-172.8	59.6	-179.4	175.9	0	112.3	V112 Y114 S176 Y177 L178 E183 V184	V112-K180 HydrophobicContact CG1-CG 4.08Å; Y114-K180 HydrophobicContact CD2-CB 4.16Å; Y114-K180 HydrophobicContact CD2-CG 4.41Å; S176-K180 PolarHBondContact O-N 3.43Å; S176-K180 VanDerWaalsContact O-N 3.16Å; Y177-K180 WeakPolarHBondContact O-CA 3.35Å; Y177-K180 WeakPolarHBondContact O-CB 3.35Å; Y177-K180 PolarHBondContact O-N 3.09Å; L178-K180 VanDerWaalsContact C-N 3.27Å; L178-K180 PolarHBondContact O-N 3.29Å; K180-E183 VanDerWaalsContact CD-OE2 3.3Å; K180-E183 WeakPolarHBondContact CD-OE2 3.28Å; K180-E183 IonicContact NZ-OE1 2.65Å; K180-E183 IonicContact NZ-OE2 2.71Å; K180-E183 PolarHBondContact NZ-OE2 3.29Å; K180-E183 WeakPolarHBondContact O-CB 3.29Å; K180-E183 PolarHBondContact O-N 3.33Å; K180-V184 WeakPolarHBondContact O-CG2 3.49Å; K180-V184 PolarHBondContact O-N 3.26Å; K180-V184 VanDerWaalsContact O-N 3.17Å
181	I	96.3	Very high	92.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-49.3	174	-66.9	163.1	0	0	0	109.9	L32 Y105 F109 V112 Y177 L178 E183 V184 L185	L32-I181 HydrophobicContact CD1-CG2 3.65Å; L32-I181 HydrophobicContact CD2-CG2 4.16Å; Y105-I181 HydrophobicContact CG-CD1 4.35Å; F109-I181 HydrophobicContact CB-CD1 4.32Å; F109-I181 HydrophobicContact CB-CG1 4.23Å; F109-I181 HydrophobicContact CB-CG2 4.39Å; F109-I181 HydrophobicContact CD1-CG2 3.37Å; F109-I181 HydrophobicContact CD2-CD1 3.47Å; F109-I181 VanDerWaalsContact CD2-CD1 3.47Å; F109-I181 HydrophobicContact CD2-CG1 4.21Å; F109-I181 HydrophobicContact CD2-CG2 4.21Å; F109-I181 HydrophobicContact CE1-CG2 3.49Å; F109-I181 VanDerWaalsContact CE1-CG2 3.49Å; F109-I181 HydrophobicContact CE2-CD1 3.85Å; F109-I181 HydrophobicContact CE2-CG2 4.35Å; F109-I181 HydrophobicContact CG-CD1 3.88Å; F109-I181 HydrophobicContact CG-CG1 4.1Å; F109-I181 HydrophobicContact CG-CG2 3.74Å; F109-I181 HydrophobicContact CZ-CG2 4.02Å; V112-I181 HydrophobicContact CB-CG1 4.18Å; V112-I181 HydrophobicContact CG1-CG1 3.85Å; V112-I181 HydrophobicContact CG2-CB 4.41Å; V112-I181 HydrophobicContact CG2-CG1 4.07Å; V112-I181 HydrophobicContact CG2-CG2 4.45Å; Y177-I181 HydrophobicContact CD1-CD1 3.54Å; Y177-I181 HydrophobicContact CD1-CG1 3.86Å; Y177-I181 HydrophobicContact CE1-CD1 3.81Å; Y177-I181 HydrophobicContact CE1-CG1 4Å; Y177-I181 WeakPolarHBondContact O-CG1 3.47Å; Y177-I181 PolarHBondContact O-N 2.89Å; L178-I181 HydrophobicContact CD2-CD1 4.19Å; L178-I181 WeakPolarHBondContact O-CB 3.47Å; L178-I181 PolarHBondContact O-N 2.83Å; I181-E183 VanDerWaalsContact C-N 3.29Å; I181-E183 PolarHBondContact O-N 3.04Å; I181-V184 PolarHBondContact O-N 2.72Å; I181-V184 VanDerWaalsContact O-N 3.16Å; I181-L185 HydrophobicContact CG2-CD1 3.83Å; I181-L185 HydrophobicContact CG2-CG 4.26Å; I181-L185 WeakPolarHBondContact O-CG 2.97Å; I181-L185 PolarHBondContact O-N 2.79Å
182	L	95.8	Very high	91	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-40.2	-179.9	-177.7	64	0	0	0	112	L29 L32 K33 I36 L178 S179 K186	L29-L182 HydrophobicContact CD2-CD1 3.51Å; L32-L182 HydrophobicContact CB-CD1 4.34Å; K33-L182 HydrophobicContact CG-CD1 4.27Å; K33-L182 HydrophobicContact CG-CD2 3.91Å; I36-L182 HydrophobicContact CD1-CB 4.14Å; I36-L182 HydrophobicContact CD1-CD2 3.72Å; L178-L182 WeakPolarHBondContact O-CB 3.34Å; L178-L182 PolarHBondContact O-N 3.3Å; S179-L182 PolarHBondContact O-N 2.82Å; L182-K186 HydrophobicContact CD1-CD 4.49Å; L182-K186 HydrophobicContact CD1-CG 4.49Å; L182-K186 HydrophobicContact CG-CD 4.3Å; L182-K186 WeakPolarHBondContact O-CB 3.49Å; L182-K186 VanDerWaalsContact O-CG 3.28Å; L182-K186 WeakPolarHBondContact O-CG 3.38Å; L182-K186 PolarHBondContact O-N 3.04Å
183	E	94.5	Very high	89.5	Confident	115 Å²	115	55.2 Å²	55.2	54%	0.537	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-49.7	174.9	-171.7	-165.7	174.5	0	0	111.6	S179 K180 I181 K186 F187	S179-E183 PolarHBondContact O-N 3.12Å; K180-E183 VanDerWaalsContact CD-OE2 3.3Å; K180-E183 WeakPolarHBondContact CD-OE2 3.28Å; K180-E183 IonicContact NZ-OE1 2.65Å; K180-E183 IonicContact NZ-OE2 2.71Å; K180-E183 PolarHBondContact NZ-OE2 3.29Å; K180-E183 WeakPolarHBondContact O-CB 3.29Å; K180-E183 PolarHBondContact O-N 3.33Å; I181-E183 VanDerWaalsContact C-N 3.29Å; I181-E183 PolarHBondContact O-N 3.04Å; E183-K186 PolarHBondContact O-N 3.3Å; E183-F187 PolarHBondContact O-N 3.05Å
184	V	92.6	Very high	87.6	Confident	35 Å²	35	66.4 Å²	66.4	21%	0.212	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-44	-178.7	174.3	0	0	0	0	111.3	V112 K180 I181 F187 Q188	V112-V184 HydrophobicContact CG2-CB 4.08Å; V112-V184 HydrophobicContact CG2-CG1 4.13Å; V112-V184 HydrophobicContact CG2-CG2 4.3Å; K180-V184 WeakPolarHBondContact O-CG2 3.49Å; K180-V184 PolarHBondContact O-N 3.26Å; K180-V184 VanDerWaalsContact O-N 3.17Å; I181-V184 PolarHBondContact O-N 2.72Å; I181-V184 VanDerWaalsContact O-N 3.16Å; V184-F187 WeakPolarHBondContact O-CB 3.49Å; V184-F187 PolarHBondContact O-N 3.34Å; V184-Q188 WeakPolarHBondContact O-CG 3.31Å; V184-Q188 PolarHBondContact O-N 3.42Å; V184-Q188 VanDerWaalsContact O-N 3.1Å
185	L	90	Very high	87.1	Confident	22 Å²	22	67.8 Å²	67.8	12%	0.115	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-40.6	-179.9	-68.8	178.3	0	0	0	112.2	Q28 L29 L32 F109 I181 F187 Q188 V189	Q28-L185 HydrophobicContact CG-CD1 4.45Å; L29-L185 HydrophobicContact CD2-CB 3.75Å; L29-L185 HydrophobicContact CD2-CD1 4.49Å; L32-L185 HydrophobicContact CD1-CD1 3.43Å; L32-L185 VanDerWaalsContact CD1-CD1 3.43Å; F109-L185 HydrophobicContact CD1-CD1 4.41Å; F109-L185 HydrophobicContact CE1-CD1 4.12Å; I181-L185 HydrophobicContact CG2-CD1 3.83Å; I181-L185 HydrophobicContact CG2-CG 4.26Å; I181-L185 WeakPolarHBondContact O-CG 2.97Å; I181-L185 PolarHBondContact O-N 2.79Å; L185-F187 VanDerWaalsContact C-N 3.27Å; L185-F187 PolarHBondContact O-N 3.47Å; L185-Q188 PolarHBondContact O-N 2.81Å; L185-Q188 VanDerWaalsContact O-N 3.13Å; L185-V189 WeakPolarHBondContact O-CG2 3.29Å; L185-V189 PolarHBondContact O-N 3.45Å
186	K	89.8	Confident	86.6	Confident	100 Å²	100	69.1 Å²	69.1	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-39.8	173.9	-77.3	175.4	178.8	174.7	0	112.1	L29 L182 E183 T190	L29-K186 HydrophobicContact CD2-CG 4.15Å; L182-K186 HydrophobicContact CD1-CD 4.49Å; L182-K186 HydrophobicContact CD1-CG 4.49Å; L182-K186 HydrophobicContact CG-CD 4.3Å; L182-K186 WeakPolarHBondContact O-CB 3.49Å; L182-K186 VanDerWaalsContact O-CG 3.28Å; L182-K186 WeakPolarHBondContact O-CG 3.38Å; L182-K186 PolarHBondContact O-N 3.04Å; E183-K186 PolarHBondContact O-N 3.3Å; K186-T190 WeakPolarHBondContact O-CG2 3.42Å; K186-T190 PolarHBondContact O-N 3.11Å; K186-T190 VanDerWaalsContact O-N 3.1Å; K186-T190 PolarHBondContact O-OG1 3.44Å
187	F	86.9	Confident	86	Confident	141 Å²	141	70.1 Å²	70.1	62%	0.618	35%	0.349	S	S	*	.	H	α-helix	trans	-65.6	-38.7	176.5	-174.2	-96.7	0	0	0	112.3	E183 V184 L185 T190 T191	E183-F187 PolarHBondContact O-N 3.05Å; V184-F187 WeakPolarHBondContact O-CB 3.49Å; V184-F187 PolarHBondContact O-N 3.34Å; L185-F187 VanDerWaalsContact C-N 3.27Å; L185-F187 PolarHBondContact O-N 3.47Å; F187-T190 WeakPolarHBondContact CA-OG1 3.22Å; F187-T190 PolarHBondContact O-OG1 3.49Å; F187-T191 HydrophobicContact CD1-CG2 4.31Å; F187-T191 HydrophobicContact CE1-CG2 3.88Å; F187-T191 HydrophobicContact CE2-CG2 4.34Å; F187-T191 HydrophobicContact CZ-CG2 3.91Å; F187-T191 WeakPolarHBondContact O-CG2 3.28Å; F187-T191 PolarHBondContact O-N 3.37Å; F187-T191 VanDerWaalsContact O-N 3.16Å; F187-T191 PolarHBondContact O-OG1 3.42Å
188	Q	83.4	Confident	85.3	Confident	64 Å²	64	74.2 Å²	74.2	30%	0.299	37%	0.369	S	S	.	.	H	α-helix	trans	-66.8	-42.4	176.7	-69.6	178.1	-5.5	0	0	112.6	V184 L185 T191 K192	V184-Q188 WeakPolarHBondContact O-CG 3.31Å; V184-Q188 PolarHBondContact O-N 3.42Å; V184-Q188 VanDerWaalsContact O-N 3.1Å; L185-Q188 PolarHBondContact O-N 2.81Å; L185-Q188 VanDerWaalsContact O-N 3.13Å; Q188-T191 PolarHBondContact O-N 3.28Å; Q188-T191 PolarHBondContact O-OG1 2.97Å; Q188-K192 WeakPolarHBondContact O-CG 3.26Å; Q188-K192 PolarHBondContact O-N 3.01Å
189	V	79.6	Confident	84.6	Confident	41 Å²	41	78.9 Å²	78.9	25%	0.248	39%	0.392	C	S	.	.	H	α-helix	trans	-63.1	-46.1	177.3	174	0	0	0	0	110.8	E25 L29 L185 T191 K192 T193	E25-V189 HydrophobicContact CB-CG2 4.27Å; L29-V189 HydrophobicContact CD1-CG2 4.15Å; L185-V189 WeakPolarHBondContact O-CG2 3.29Å; L185-V189 PolarHBondContact O-N 3.45Å; V189-T191 VanDerWaalsContact C-N 3.29Å; V189-T191 PolarHBondContact O-N 3.03Å; V189-K192 PolarHBondContact O-N 3.31Å; V189-T193 PolarHBondContact O-N 3.34Å; V189-T193 PolarHBondContact O-OG1 3.37Å
190	T	78.3	Confident	83.7	Confident	74 Å²	74	81.4 Å²	81.4	45%	0.454	40%	0.399	S	S	.	.	H	α-helix	trans	-68.2	-25.3	-178	52.2	0	0	0	0	114.2	K186 F187 T193	K186-T190 WeakPolarHBondContact O-CG2 3.42Å; K186-T190 PolarHBondContact O-N 3.11Å; K186-T190 VanDerWaalsContact O-N 3.1Å; K186-T190 PolarHBondContact O-OG1 3.44Å; F187-T190 WeakPolarHBondContact CA-OG1 3.22Å; F187-T190 PolarHBondContact O-OG1 3.49Å; T190-T193 PolarHBondContact O-OG1 3.48Å
191	T	77.5	Confident	82.8	Confident	69 Å²	69	81.6 Å²	81.6	42%	0.423	40%	0.404	S	S	.	.	H	α-helix	trans	-82.6	-27.6	176.8	47	0	0	0	0	113	F187 Q188 V189 T193	F187-T191 HydrophobicContact CD1-CG2 4.31Å; F187-T191 HydrophobicContact CE1-CG2 3.88Å; F187-T191 HydrophobicContact CE2-CG2 4.34Å; F187-T191 HydrophobicContact CZ-CG2 3.91Å; F187-T191 WeakPolarHBondContact O-CG2 3.28Å; F187-T191 PolarHBondContact O-N 3.37Å; F187-T191 VanDerWaalsContact O-N 3.16Å; F187-T191 PolarHBondContact O-OG1 3.42Å; Q188-T191 PolarHBondContact O-N 3.28Å; Q188-T191 PolarHBondContact O-OG1 2.97Å; V189-T191 VanDerWaalsContact C-N 3.29Å; V189-T191 PolarHBondContact O-N 3.03Å; T191-T193 VanDerWaalsContact C-N 3.35Å
192	K	73	Confident	81.8	Confident	113 Å²	113	87.9 Å²	87.9	49%	0.491	44%	0.435	S	S	.	.	H	α-helix	trans	-74.8	-21.8	174.5	-70.9	177.5	-173.4	-179.6	0	113.9	E25 Q188 V189	E25-K192 IonicContact OE1-NZ 3.81Å; E25-K192 PolarHBondContact OE1-NZ 3.48Å; E25-K192 IonicContact OE2-NZ 2.64Å; Q188-K192 WeakPolarHBondContact O-CG 3.26Å; Q188-K192 PolarHBondContact O-N 3.01Å; V189-K192 PolarHBondContact O-N 3.31Å
193	T	64.7	Low	80.6	Confident	112 Å²	112	93.9 Å²	93.9	69%	0.687	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.1	-178.9	52.4	0	0	0	0	114.6	V189 T190 T191	V189-T193 PolarHBondContact O-N 3.34Å; V189-T193 PolarHBondContact O-OG1 3.37Å; T190-T193 PolarHBondContact O-OG1 3.48Å; T191-T193 VanDerWaalsContact C-N 3.35Å
194	K	57	Low	79.3	Confident	241 Å²	241	92 Å²	92	100%	1.048	46%	0.457	S	S	*	.			trans	-97.1	0	176	-74.2	-174.8	-179.8	179.9	0	110.9

Retrieved 194 of 194 residues in 291.7 ms (Link to these results)

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