A0A2R8ZNN6_PANPA Loading...

High mobility group protein B3

Multifunctional protein with various roles in different cellular compartments. May act in a redox sensitive manner. Associates with chromatin and binds DNA with a preference for non-canonical DNA structures such as single-stranded DNA. Can bend DNA and enhance DNA flexibility by looping thus providing a mechanism to promote activities on various gene promoters. Proposed to be involved in the innate immune response to nucleic acids by acting as a cytoplasmic promiscuous immunogenic DNA/RNA sensor. Negatively regulates B-cell and myeloid cell differentiation. In hematopoietic stem cells may regulate the balance between self-renewal and differentiation. Involved in negative regulation of canonical Wnt signaling.

AlphaFold DB , UniProt , Accession A0A2R8ZNN6, Species PANPA (Pan paniscus, Pygmy chimpanzee), Gene n/a, Length 201 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	37	Very low	70.4	Confident	242 Å²	242	123.7 Å²	123.7	100%	1.192	68%	0.681	S	S	*	*				0	124.9	0	-65.8	175	-173.1	0	0	107.5	K3	M1-K3 PolarHBondContact O-N 3.2Å
2	A	45.8	Very low	72.3	Confident	105 Å²	105	124.2 Å²	124.2	87%	0.868	67%	0.671	S	S	*	*			trans	-69.4	121.7	-165.2	0	0	0	0	0	111.9	G4	A2-G4 PolarHBondContact O-N 3.18Å; A2-G4 VanDerWaalsContact O-N 3.15Å
3	K	53.3	Low	73.9	Confident	224 Å²	224	119.3 Å²	119.3	97%	0.974	64%	0.643	S	S	*	*			trans	-76.1	88.6	164.8	-73.1	-178.4	177.6	179.7	0	107.8	M1	M1-K3 PolarHBondContact O-N 3.2Å
4	G	63.3	Low	75.4	Confident	54 Å²	54	115.5 Å²	115.5	56%	0.557	63%	0.63	S	S	*	*	S	Bend	trans	-148.2	164.9	178.3	0	0	0	0	0	110.9	A2	A2-G4 PolarHBondContact O-N 3.18Å; A2-G4 VanDerWaalsContact O-N 3.15Å
5	D	72.8	Confident	76.6	Confident	85 Å²	85	108.5 Å²	108.5	46%	0.455	59%	0.593	S	S	.	*			trans	-51.1	122.3	175.3	-173.2	-30.5	0	0	0	109.8	K7 K8 Y78	D5-K7 PolarHBondContact O-N 2.93Å; D5-K7 VanDerWaalsContact O-N 3.14Å; D5-K7 WeakPolarHBondContact OD1-CB 3.48Å; D5-K7 PolarHBondContact OD1-N 3.12Å; D5-K8 HydrophobicContact CB-CB 4.2Å; D5-K8 VanDerWaalsContact O-CB 3.22Å; D5-K8 WeakPolarHBondContact O-CB 3.5Å; D5-K8 PolarHBondContact O-N 3.42Å; D5-Y78 WeakPolarHBondContact CB-OH 3.16Å; D5-Y78 VanDerWaalsContact CG-OH 3.22Å; D5-Y78 PolarHBondContact OD2-OH 3.46Å; D5-Y78 VanDerWaalsContact OD2-OH 3.07Å
6	P	77.6	Confident	77.5	Confident	134 Å²	134	106.2 Å²	106.2	87%	0.87	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-23.1	179.8	-22.7	32.5	0	0	0	114
7	K	79.5	Confident	78.4	Confident	169 Å²	169	101.8 Å²	101.8	74%	0.735	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-10.8	178.6	-162.6	-178.8	178.7	84.1	0	112	D5 Y78	D5-K7 PolarHBondContact O-N 2.93Å; D5-K7 VanDerWaalsContact O-N 3.14Å; D5-K7 WeakPolarHBondContact OD1-CB 3.48Å; D5-K7 PolarHBondContact OD1-N 3.12Å; K7-Y78 HydrophobicContact CB-CE2 3.93Å; K7-Y78 HydrophobicContact CG-CD2 4.3Å; K7-Y78 HydrophobicContact CG-CE2 4.12Å; K7-Y78 WeakPolarHBondContact O-CD2 3.47Å; K7-Y78 WeakPolarHBondContact O-CE2 3.5Å
8	K	82.8	Confident	79.3	Confident	111 Å²	111	98.1 Å²	98.1	48%	0.483	53%	0.533	S	S	.	.	S	Bend	trans	-66	129.1	177.6	-171.8	178.6	176.5	178.1	0	110.6	D5 K10 Y78	D5-K8 HydrophobicContact CB-CB 4.2Å; D5-K8 VanDerWaalsContact O-CB 3.22Å; D5-K8 WeakPolarHBondContact O-CB 3.5Å; D5-K8 PolarHBondContact O-N 3.42Å; K8-K10 PolarHBondContact O-N 3.49Å; K8-Y78 VanDerWaalsContact CA-CE2 3.41Å; K8-Y78 VanDerWaalsContact CA-CZ 3.43Å; K8-Y78 HydrophobicContact CB-CE1 4.05Å; K8-Y78 HydrophobicContact CB-CE2 4.2Å; K8-Y78 HydrophobicContact CG-CD1 4.47Å; K8-Y78 HydrophobicContact CG-CE1 3.88Å; K8-Y78 VanDerWaalsContact N-CE2 3.34Å
9	P	87.6	Confident	80	Confident	15 Å²	15	93.1 Å²	93.1	10%	0.097	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-48.9	137.7	170.4	-31.8	37.9	0	0	0	112.1	G11 Y71 E74 M75 Y78	P9-G11 PolarHBondContact O-N 3.02Å; P9-Y71 HydrophobicContact CB-CD2 4.28Å; P9-Y71 HydrophobicContact CB-CE2 4.25Å; P9-E74 HydrophobicContact CB-CB 3.76Å; P9-E74 WeakPolarHBondContact CB-OE2 3.25Å; P9-E74 HydrophobicContact CG-CB 3.69Å; P9-E74 WeakPolarHBondContact CG-O 3.44Å; P9-M75 HydrophobicContact CB-CG 4.38Å; P9-M75 HydrophobicContact CB-SD 4.17Å; P9-M75 HydrophobicContact CG-CG 4.29Å; P9-M75 HydrophobicContact CG-SD 3.88Å; P9-Y78 HydrophobicContact CG-CD1 4.45Å; P9-Y78 HydrophobicContact CG-CG 3.98Å
10	K	87	Confident	80.5	Confident	172 Å²	172	89.3 Å²	89.3	75%	0.748	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-65.1	134.2	173.6	-72.3	179.9	-178.4	171.8	0	108.9	K8 R70 Y71	K8-K10 PolarHBondContact O-N 3.49Å; K10-R70 PolarHBondContact O-NH2 2.86Å; K10-Y71 VanDerWaalsContact O-CD2 3.24Å; K10-Y71 WeakPolarHBondContact O-CD2 3.49Å
11	G	88	Confident	81	Confident	50 Å²	50	88.9 Å²	88.9	52%	0.515	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-55.5	152.5	-177.6	0	0	0	0	0	113.2	P9	P9-G11 PolarHBondContact O-N 3.02Å
12	K	92.4	Very high	83.5	Confident	129 Å²	129	79.2 Å²	79.2	56%	0.561	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-61.4	137.8	178.4	63	-174.1	178	-175.4	0	112.4	D67 Y71	K12-D67 WeakPolarHBondContact CA-OD2 3.34Å; K12-Y71 HydrophobicContact CB-CD1 4.4Å; K12-Y71 HydrophobicContact CB-CG 4.13Å
13	M	93.5	Very high	85.5	Confident	61 Å²	61	74.6 Å²	74.6	30%	0.3	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-94.5	136.8	177.2	-68.6	-173.7	62.2	0	0	110.5	A17 F18 D67	M13-A17 HydrophobicContact CB-CB 4.26Å; M13-A17 HydrophobicContact CE-CB 3.97Å; M13-F18 HydrophobicContact CB-CD2 4Å; M13-F18 HydrophobicContact CB-CE1 4.42Å; M13-F18 HydrophobicContact CB-CE2 3.51Å; M13-F18 HydrophobicContact CB-CZ 3.74Å; M13-F18 HydrophobicContact CE-CD1 4.24Å; M13-F18 HydrophobicContact CE-CE1 4.31Å; M13-F18 HydrophobicContact CG-CZ 4.47Å; M13-F18 HydrophobicContact SD-CE1 4.17Å; M13-F18 HydrophobicContact SD-CZ 4.26Å; M13-D67 PolarHBondContact N-OD2 2.82Å
14	S	94.8	Very high	87	Confident	66 Å²	66	69.4 Å²	69.4	46%	0.462	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-81.9	166.4	175.5	67.4	0	0	0	0	112	Y16 A17 F18	S14-Y16 VanDerWaalsContact C-N 3.28Å; S14-Y16 PolarHBondContact O-N 2.57Å; S14-A17 WeakPolarHBondContact O-CA 3.49Å; S14-A17 WeakPolarHBondContact O-CB 3.4Å; S14-A17 PolarHBondContact O-N 3.07Å; S14-A17 PolarHBondContact OG-N 3.45Å; S14-F18 WeakPolarHBondContact O-CD2 3.38Å; S14-F18 PolarHBondContact O-N 3.47Å
15	A	93	Very high	88.2	Confident	10 Å²	10	72 Å²	72	8%	0.083	37%	0.368	C	S	.	.	H	α-helix	trans	-56	-44.2	176.5	0	0	0	0	0	111.6	A17 F18 F19 W49 F60 D61 A64	A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 3.23Å; A15-F18 PolarHBondContact O-N 3.09Å; A15-F19 WeakPolarHBondContact O-CB 3.22Å; A15-F19 PolarHBondContact O-N 2.91Å; A15-W49 HydrophobicContact CB-CH2 3.8Å; A15-W49 HydrophobicContact CB-CZ2 4.2Å; A15-F60 WeakPolarHBondContact CA-O 3.29Å; A15-F60 HydrophobicContact CB-CB 3.88Å; A15-F60 WeakPolarHBondContact CB-O 3.45Å; A15-F60 WeakPolarHBondContact O-CB 3.49Å; A15-D61 WeakPolarHBondContact CB-OD1 3.38Å; A15-A64 HydrophobicContact CB-CB 4.11Å
16	Y	92.2	Very high	88.9	Confident	72 Å²	72	71.5 Å²	71.5	28%	0.282	36%	0.364	S	S	.	.	H	α-helix	trans	-62.6	-37.7	173.6	-177.8	-113.2	0	0	0	112.7	S14 F19 V20 S46 W49	S14-Y16 VanDerWaalsContact C-N 3.28Å; S14-Y16 PolarHBondContact O-N 2.57Å; Y16-F19 AromaticContact CD2-CD1 3.96Å; Y16-F19 HydrophobicContact CD2-CD1 3.96Å; Y16-F19 AromaticContact CE2-CD1 4Å; Y16-F19 HydrophobicContact CE2-CD1 4Å; Y16-F19 HydrophobicContact CE2-CE1 4.32Å; Y16-F19 WeakPolarHBondContact O-CB 3.43Å; Y16-F19 PolarHBondContact O-N 3.36Å; Y16-V20 HydrophobicContact CD1-CG2 4.07Å; Y16-V20 HydrophobicContact CD2-CG2 4.18Å; Y16-V20 HydrophobicContact CE1-CG2 3.64Å; Y16-V20 HydrophobicContact CE2-CG2 3.77Å; Y16-V20 HydrophobicContact CG-CG2 4.33Å; Y16-V20 VanDerWaalsContact CZ-CG2 3.49Å; Y16-V20 WeakPolarHBondContact O-CB 3.41Å; Y16-V20 VanDerWaalsContact O-CG2 3.26Å; Y16-V20 WeakPolarHBondContact O-CG2 3.34Å; Y16-V20 PolarHBondContact O-N 3.44Å; Y16-S46 PolarHBondContact OH-N 3.16Å; Y16-W49 HydrophobicContact CD2-CB 3.74Å; Y16-W49 AromaticContact CD2-CD1 3.76Å; Y16-W49 AromaticContact CD2-CD2 3.57Å; Y16-W49 HydrophobicContact CD2-CD2 3.57Å; Y16-W49 HydrophobicContact CD2-CE3 4.05Å; Y16-W49 AromaticContact CD2-CG 3.4Å; Y16-W49 HydrophobicContact CD2-CG 3.4Å; Y16-W49 VanDerWaalsContact CD2-CG 3.4Å; Y16-W49 HydrophobicContact CE2-CB 3.6Å; Y16-W49 HydrophobicContact CE2-CD2 4.37Å; Y16-W49 AromaticContact CE2-CG 3.79Å; Y16-W49 HydrophobicContact CE2-CG 3.79Å; Y16-W49 HydrophobicContact CG-CD2 4.47Å
17	A	92.8	Very high	89.2	Confident	32 Å²	32	67.4 Å²	67.4	26%	0.264	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-41.4	177.7	0	0	0	0	0	112.1	M13 S14 A15 V20 Q21	M13-A17 HydrophobicContact CB-CB 4.26Å; M13-A17 HydrophobicContact CE-CB 3.97Å; S14-A17 WeakPolarHBondContact O-CA 3.49Å; S14-A17 WeakPolarHBondContact O-CB 3.4Å; S14-A17 PolarHBondContact O-N 3.07Å; S14-A17 PolarHBondContact OG-N 3.45Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 3.23Å; A17-V20 PolarHBondContact O-N 3.05Å; A17-Q21 PolarHBondContact O-N 3.07Å
18	F	93.3	Very high	89.5	Confident	34 Å²	34	66.9 Å²	66.9	15%	0.149	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-43.2	171.5	-79.9	-65.6	0	0	0	111.8	M13 S14 A15 V20 Q21 T22 F60 M63 D67	M13-F18 HydrophobicContact CB-CD2 4Å; M13-F18 HydrophobicContact CB-CE1 4.42Å; M13-F18 HydrophobicContact CB-CE2 3.51Å; M13-F18 HydrophobicContact CB-CZ 3.74Å; M13-F18 HydrophobicContact CE-CD1 4.24Å; M13-F18 HydrophobicContact CE-CE1 4.31Å; M13-F18 HydrophobicContact CG-CZ 4.47Å; M13-F18 HydrophobicContact SD-CE1 4.17Å; M13-F18 HydrophobicContact SD-CZ 4.26Å; S14-F18 WeakPolarHBondContact O-CD2 3.38Å; S14-F18 PolarHBondContact O-N 3.47Å; A15-F18 PolarHBondContact O-N 3.09Å; F18-V20 PolarHBondContact O-N 3.12Å; F18-Q21 WeakPolarHBondContact O-CB 3.46Å; F18-Q21 PolarHBondContact O-N 2.99Å; F18-T22 WeakPolarHBondContact O-CG2 3.49Å; F18-T22 PolarHBondContact O-N 3.09Å; F18-F60 HydrophobicContact CB-CD1 4.02Å; F18-M63 HydrophobicContact CB-CB 4.47Å; F18-M63 HydrophobicContact CB-SD 4.41Å; F18-M63 HydrophobicContact CD1-CB 4.46Å; F18-M63 HydrophobicContact CD2-CB 3.85Å; F18-M63 HydrophobicContact CE2-CB 4.18Å; F18-M63 WeakPolarHBondContact CE2-O 3.48Å; F18-M63 HydrophobicContact CG-CB 4.01Å; F18-D67 HydrophobicContact CE2-CB 3.59Å; F18-D67 HydrophobicContact CZ-CB 3.63Å
19	F	93.1	Very high	89.8	Confident	3 Å²	3	70.4 Å²	70.4	1%	0.013	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-47.8	175.6	167.5	-100	0	0	0	112.8	A15 Y16 Q21 T22 C23 C45 R48 W49 M52 F60	A15-F19 WeakPolarHBondContact O-CB 3.22Å; A15-F19 PolarHBondContact O-N 2.91Å; Y16-F19 AromaticContact CD2-CD1 3.96Å; Y16-F19 HydrophobicContact CD2-CD1 3.96Å; Y16-F19 AromaticContact CE2-CD1 4Å; Y16-F19 HydrophobicContact CE2-CD1 4Å; Y16-F19 HydrophobicContact CE2-CE1 4.32Å; Y16-F19 WeakPolarHBondContact O-CB 3.43Å; Y16-F19 PolarHBondContact O-N 3.36Å; F19-Q21 PolarHBondContact O-N 3.49Å; F19-T22 PolarHBondContact O-N 2.97Å; F19-T22 VanDerWaalsContact O-N 3.16Å; F19-T22 PolarHBondContact O-OG1 3.43Å; F19-C23 WeakPolarHBondContact CE2-SG 3.27Å; F19-C23 WeakPolarHBondContact CZ-SG 3.48Å; F19-C23 PolarHBondContact O-N 3.42Å; F19-C23 PolarHBondContact O-SG 3.34Å; F19-C23 VanDerWaalsContact O-SG 3.37Å; F19-C45 HydrophobicContact CE1-CB 4.12Å; F19-C45 VanDerWaalsContact CE1-O 3.3Å; F19-C45 WeakPolarHBondContact CE1-O 3.49Å; F19-R48 HydrophobicContact CE2-CG 4.27Å; F19-R48 HydrophobicContact CZ-CB 3.88Å; F19-R48 HydrophobicContact CZ-CG 3.71Å; F19-W49 HydrophobicContact CB-CE3 3.58Å; F19-W49 HydrophobicContact CB-CZ3 3.47Å; F19-W49 VanDerWaalsContact CB-CZ3 3.47Å; F19-W49 HydrophobicContact CD1-CB 4.15Å; F19-W49 HydrophobicContact CD1-CD2 4.3Å; F19-W49 AromaticContact CD1-CE3 3.56Å; F19-W49 HydrophobicContact CD1-CE3 3.56Å; F19-W49 HydrophobicContact CD1-CZ3 4.34Å; F19-W49 AromaticContact CD2-CE3 3.92Å; F19-W49 HydrophobicContact CD2-CE3 3.92Å; F19-W49 HydrophobicContact CD2-CZ3 4.23Å; F19-W49 HydrophobicContact CE1-CB 3.86Å; F19-W49 HydrophobicContact CE1-CE3 4.2Å; F19-W49 HydrophobicContact CG-CD2 4.5Å; F19-W49 AromaticContact CG-CE3 3.38Å; F19-W49 HydrophobicContact CG-CE3 3.38Å; F19-W49 AromaticContact CG-CZ3 3.76Å; F19-W49 HydrophobicContact CG-CZ3 3.76Å; F19-W49 HydrophobicContact CZ-CB 4.47Å; F19-M52 HydrophobicContact CD2-CE 3.41Å; F19-M52 VanDerWaalsContact CD2-CE 3.41Å; F19-M52 HydrophobicContact CD2-SD 3.99Å; F19-M52 HydrophobicContact CE2-CE 3.45Å; F19-M52 VanDerWaalsContact CE2-CE 3.45Å; F19-M52 HydrophobicContact CE2-SD 3.54Å; F19-M52 VanDerWaalsContact CE2-SD 3.54Å; F19-M52 HydrophobicContact CG-CE 4.11Å; F19-M52 HydrophobicContact CZ-CE 4.19Å; F19-M52 HydrophobicContact CZ-SD 4.38Å; F19-F60 VanDerWaalsContact CA-CE1 3.49Å; F19-F60 HydrophobicContact CB-CD1 3.9Å; F19-F60 HydrophobicContact CB-CD2 4.17Å; F19-F60 HydrophobicContact CB-CE1 3.94Å; F19-F60 HydrophobicContact CB-CE2 4.21Å; F19-F60 HydrophobicContact CB-CG 4.01Å; F19-F60 HydrophobicContact CB-CZ 4.09Å; F19-F60 HydrophobicContact CD2-CD2 4.32Å; F19-F60 HydrophobicContact CD2-CE1 4.36Å; F19-F60 AromaticContact CD2-CE2 3.67Å; F19-F60 HydrophobicContact CD2-CE2 3.67Å; F19-F60 AromaticContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CG-CE2 4.41Å; F19-F60 HydrophobicContact CG-CZ 4.4Å
20	V	90.9	Very high	89.6	Confident	18 Å²	18	76.9 Å²	76.9	11%	0.109	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-38.5	176.3	171.8	0	0	0	0	110.6	Y16 A17 F18 C23 R24 F41 C45	Y16-V20 HydrophobicContact CD1-CG2 4.07Å; Y16-V20 HydrophobicContact CD2-CG2 4.18Å; Y16-V20 HydrophobicContact CE1-CG2 3.64Å; Y16-V20 HydrophobicContact CE2-CG2 3.77Å; Y16-V20 HydrophobicContact CG-CG2 4.33Å; Y16-V20 VanDerWaalsContact CZ-CG2 3.49Å; Y16-V20 WeakPolarHBondContact O-CB 3.41Å; Y16-V20 VanDerWaalsContact O-CG2 3.26Å; Y16-V20 WeakPolarHBondContact O-CG2 3.34Å; Y16-V20 PolarHBondContact O-N 3.44Å; A17-V20 PolarHBondContact O-N 3.05Å; F18-V20 PolarHBondContact O-N 3.12Å; V20-C23 PolarHBondContact O-N 3.45Å; V20-R24 WeakPolarHBondContact O-CG 2.95Å; V20-R24 PolarHBondContact O-N 3.07Å; V20-F41 HydrophobicContact CG1-CE1 4.04Å; V20-C45 HydrophobicContact CG2-CB 4.02Å
21	Q	89.4	Confident	89.2	Confident	81 Å²	81	72.2 Å²	72.2	38%	0.379	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-48	174.8	-176.4	178	-30.4	0	0	111.7	A17 F18 F19 C23 R24 E25	A17-Q21 PolarHBondContact O-N 3.07Å; F18-Q21 WeakPolarHBondContact O-CB 3.46Å; F18-Q21 PolarHBondContact O-N 2.99Å; F19-Q21 PolarHBondContact O-N 3.49Å; Q21-C23 VanDerWaalsContact C-N 3.3Å; Q21-C23 PolarHBondContact O-N 3.12Å; Q21-R24 WeakPolarHBondContact O-CB 3.23Å; Q21-R24 PolarHBondContact O-N 3.03Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.38Å; Q21-E25 PolarHBondContact NE2-OE1 2.94Å; Q21-E25 WeakPolarHBondContact O-CG 3.44Å; Q21-E25 PolarHBondContact O-N 2.98Å
22	T	89.9	Confident	88.8	Confident	39 Å²	39	74.5 Å²	74.5	24%	0.239	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-39.9	176.9	60.2	0	0	0	0	112.1	F18 F19 R24 E25 E26 F60	F18-T22 WeakPolarHBondContact O-CG2 3.49Å; F18-T22 PolarHBondContact O-N 3.09Å; F19-T22 PolarHBondContact O-N 2.97Å; F19-T22 VanDerWaalsContact O-N 3.16Å; F19-T22 PolarHBondContact O-OG1 3.43Å; T22-R24 VanDerWaalsContact C-N 3.28Å; T22-R24 PolarHBondContact O-N 3.18Å; T22-E25 PolarHBondContact O-N 3.42Å; T22-E26 WeakPolarHBondContact O-CB 3.4Å; T22-E26 WeakPolarHBondContact O-CG 3.39Å; T22-E26 PolarHBondContact O-N 3.49Å; T22-F60 HydrophobicContact CG2-CE1 3.82Å; T22-F60 HydrophobicContact CG2-CZ 4.5Å
23	C	88.1	Confident	88.2	Confident	8 Å²	8	77.3 Å²	77.3	5%	0.054	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-35.3	174.8	-70	0	0	0	0	112.1	F19 V20 Q21 H27 F41	F19-C23 WeakPolarHBondContact CE2-SG 3.27Å; F19-C23 WeakPolarHBondContact CZ-SG 3.48Å; F19-C23 PolarHBondContact O-N 3.42Å; F19-C23 PolarHBondContact O-SG 3.34Å; F19-C23 VanDerWaalsContact O-SG 3.37Å; V20-C23 PolarHBondContact O-N 3.45Å; Q21-C23 VanDerWaalsContact C-N 3.3Å; Q21-C23 PolarHBondContact O-N 3.12Å; C23-H27 WeakPolarHBondContact O-CB 3.49Å; C23-H27 PolarHBondContact O-N 3Å; C23-F41 HydrophobicContact CB-CE2 4.13Å; C23-F41 HydrophobicContact CB-CZ 3.61Å
24	R	85.9	Confident	87.4	Confident	114 Å²	114	78.5 Å²	78.5	43%	0.43	39%	0.387	S	S	.	.	H	α-helix	trans	-69.5	-42.6	177	-74.7	-179.8	-178.4	163.9	3.9	111.1	V20 Q21 T22 H27 K28 F41	V20-R24 WeakPolarHBondContact O-CG 2.95Å; V20-R24 PolarHBondContact O-N 3.07Å; Q21-R24 WeakPolarHBondContact O-CB 3.23Å; Q21-R24 PolarHBondContact O-N 3.03Å; T22-R24 VanDerWaalsContact C-N 3.28Å; T22-R24 PolarHBondContact O-N 3.18Å; R24-H27 PolarHBondContact O-N 3.22Å; R24-K28 WeakPolarHBondContact O-CB 3.07Å; R24-K28 PolarHBondContact O-N 3.33Å; R24-F41 HydrophobicContact CB-CE1 4.44Å; R24-F41 HydrophobicContact CB-CZ 4.05Å; R24-F41 HydrophobicContact CG-CD1 4.16Å; R24-F41 HydrophobicContact CG-CE1 3.22Å; R24-F41 HydrophobicContact CG-CE2 4.18Å; R24-F41 HydrophobicContact CG-CZ 3.25Å
25	E	88.1	Confident	86.5	Confident	109 Å²	109	80.9 Å²	80.9	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-44	177.2	-70	173.7	-167.2	0	0	111.4	Q21 T22 H27 K28 K29	Q21-E25 WeakPolarHBondContact CG-OE1 3.38Å; Q21-E25 PolarHBondContact NE2-OE1 2.94Å; Q21-E25 WeakPolarHBondContact O-CG 3.44Å; Q21-E25 PolarHBondContact O-N 2.98Å; T22-E25 PolarHBondContact O-N 3.42Å; E25-H27 PolarHBondContact O-N 3.01Å; E25-K28 PolarHBondContact O-N 3.1Å; E25-K29 WeakPolarHBondContact O-CB 2.89Å; E25-K29 PolarHBondContact O-N 2.98Å
26	E	86.8	Confident	85.7	Confident	75 Å²	75	83.4 Å²	83.4	35%	0.35	42%	0.415	S	S	.	.	H	α-helix	trans	-58.8	-45.5	173.2	-75.3	-172.6	161.6	0	0	111.9	T22 K29 K30 R48	T22-E26 WeakPolarHBondContact O-CB 3.4Å; T22-E26 WeakPolarHBondContact O-CG 3.39Å; T22-E26 PolarHBondContact O-N 3.49Å; E26-K29 PolarHBondContact O-N 2.87Å; E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 WeakPolarHBondContact O-CG 3.32Å; E26-K30 PolarHBondContact O-N 3.01Å; E26-R48 IonicContact OE2-CZ 2.77Å; E26-R48 IonicContact OE2-NH1 3.25Å; E26-R48 PolarHBondContact OE2-NH1 3.02Å; E26-R48 IonicContact OE2-NH2 3.98Å
27	H	84.3	Confident	85.4	Confident	48 Å²	48	84.8 Å²	84.8	22%	0.222	43%	0.427	C	S	.	.	H	α-helix	trans	-64.6	-41.8	178.1	-171.3	-74.4	0	0	0	111.5	C23 R24 E25 K29 K30 N31 V36 F41	C23-H27 WeakPolarHBondContact O-CB 3.49Å; C23-H27 PolarHBondContact O-N 3Å; R24-H27 PolarHBondContact O-N 3.22Å; E25-H27 PolarHBondContact O-N 3.01Å; H27-K29 VanDerWaalsContact C-N 3.27Å; H27-K29 PolarHBondContact O-N 3.47Å; H27-K30 PolarHBondContact O-N 3.38Å; H27-N31 PolarHBondContact NE2-ND2 3.08Å; H27-N31 CarbonylContact O-C 3.56Å; H27-N31 WeakPolarHBondContact O-CA 3.36Å; H27-N31 PolarHBondContact O-N 3.3Å; H27-V36 WeakPolarHBondContact ND1-CG2 3.48Å; H27-F41 HydrophobicContact CB-CE2 4.31Å
28	K	85.7	Confident	84.7	Confident	158 Å²	158	89.8 Å²	89.8	69%	0.687	44%	0.443	S	S	*	.	H	α-helix	trans	-64.1	-33.1	177.1	-168.5	177.4	-179.4	-176.2	0	112	R24 E25 P32	R24-K28 WeakPolarHBondContact O-CB 3.07Å; R24-K28 PolarHBondContact O-N 3.33Å; E25-K28 PolarHBondContact O-N 3.1Å; K28-P32 VanDerWaalsContact O-CA 3.26Å; K28-P32 WeakPolarHBondContact O-CA 3.26Å; K28-P32 WeakPolarHBondContact O-CB 3.43Å
29	K	88.2	Confident	84.2	Confident	185 Å²	185	90.6 Å²	90.6	80%	0.804	46%	0.456	S	S	*	.	H	α-helix	trans	-74.8	-40.3	176.5	-171	175.1	-177.8	177.2	0	112.7	E25 E26 H27	E25-K29 WeakPolarHBondContact O-CB 2.89Å; E25-K29 PolarHBondContact O-N 2.98Å; E26-K29 PolarHBondContact O-N 2.87Å; H27-K29 VanDerWaalsContact C-N 3.27Å; H27-K29 PolarHBondContact O-N 3.47Å
30	K	84.3	Confident	83.8	Confident	151 Å²	151	94.5 Å²	94.5	66%	0.657	47%	0.474	S	S	*	.	H	α-helix	trans	-83.2	-36	-176.7	-70	177.1	179.8	174.2	0	113	E26 H27 P32	E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 WeakPolarHBondContact O-CG 3.32Å; E26-K30 PolarHBondContact O-N 3.01Å; H27-K30 PolarHBondContact O-N 3.38Å; K30-P32 VanDerWaalsContact C-CD 3.47Å
31	N	79.6	Confident	83.5	Confident	73 Å²	73	94.4 Å²	94.4	39%	0.39	47%	0.473	S	S	.	.			trans	-130.1	65	-176.8	-56.4	-37.2	0	0	0	110.1	H27 E33 V34	H27-N31 PolarHBondContact NE2-ND2 3.08Å; H27-N31 CarbonylContact O-C 3.56Å; H27-N31 WeakPolarHBondContact O-CA 3.36Å; H27-N31 PolarHBondContact O-N 3.3Å; N31-E33 PolarHBondContact O-N 3.32Å; N31-V34 HydrophobicContact CB-CB 4.1Å; N31-V34 HydrophobicContact CB-CG2 4.24Å; N31-V34 PolarHBondContact O-N 3.21Å
32	P	78.8	Confident	83.3	Confident	99 Å²	99	93 Å²	93	64%	0.643	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-28.5	-174.7	24	-33.4	0	0	0	113.7	K28 K30	K28-P32 VanDerWaalsContact O-CA 3.26Å; K28-P32 WeakPolarHBondContact O-CA 3.26Å; K28-P32 WeakPolarHBondContact O-CB 3.43Å; K30-P32 VanDerWaalsContact C-CD 3.47Å
33	E	79.5	Confident	83.3	Confident	188 Å²	188	96.8 Å²	96.8	88%	0.879	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-11.5	-179.4	-65.3	-146.4	138.7	0	0	114.4	N31 P35	N31-E33 PolarHBondContact O-N 3.32Å; E33-P35 VanDerWaalsContact O-CD 3.25Å; E33-P35 WeakPolarHBondContact O-CD 3.29Å
34	V	77.3	Confident	83.3	Confident	86 Å²	86	102.8 Å²	102.8	52%	0.521	51%	0.51	S	S	.	.	S	Bend	trans	-93.5	111.5	-179.1	-175.6	0	0	0	0	109.2	N31 V36	N31-V34 HydrophobicContact CB-CB 4.1Å; N31-V34 HydrophobicContact CB-CG2 4.24Å; N31-V34 PolarHBondContact O-N 3.21Å; V34-V36 PolarHBondContact O-N 3.21Å
35	P	76.3	Confident	83.5	Confident	115 Å²	115	97.6 Å²	97.6	75%	0.747	49%	0.491	S	S	*	.			trans	-61.9	131.3	177.6	22.5	-30.4	0	0	0	110.6	E33 N37	E33-P35 VanDerWaalsContact O-CD 3.25Å; E33-P35 WeakPolarHBondContact O-CD 3.29Å; P35-N37 PolarHBondContact O-N 2.99Å; P35-N37 VanDerWaalsContact O-N 3.14Å
36	V	75.2	Confident	83.5	Confident	64 Å²	64	94.5 Å²	94.5	39%	0.388	48%	0.481	S	S	.	.			trans	-69.2	110.8	-178.6	-177	0	0	0	0	109.4	H27 V34 F38 F41	H27-V36 WeakPolarHBondContact ND1-CG2 3.48Å; V34-V36 PolarHBondContact O-N 3.21Å; V36-F38 PolarHBondContact O-N 3.16Å; V36-F41 HydrophobicContact CG1-CB 3.47Å; V36-F41 VanDerWaalsContact CG1-CB 3.47Å; V36-F41 HydrophobicContact CG1-CD1 4.17Å; V36-F41 HydrophobicContact CG1-CD2 3.66Å; V36-F41 HydrophobicContact CG1-CE2 4.5Å; V36-F41 HydrophobicContact CG1-CG 3.47Å; V36-F41 VanDerWaalsContact CG1-CG 3.47Å
37	N	85.3	Confident	83.7	Confident	100 Å²	100	96.8 Å²	96.8	54%	0.535	49%	0.492	S	S	.	.			trans	-69.3	112.5	167.7	-178.5	-28.5	0	0	0	109.1	P35 A39 E40 F41	P35-N37 PolarHBondContact O-N 2.99Å; P35-N37 VanDerWaalsContact O-N 3.14Å; N37-A39 VanDerWaalsContact C-N 3.34Å; N37-A39 PolarHBondContact O-N 3.5Å; N37-A39 PolarHBondContact OD1-N 3.17Å; N37-A39 VanDerWaalsContact OD1-N 3.1Å; N37-E40 HydrophobicContact CB-CB 4.2Å; N37-E40 HydrophobicContact CB-CG 4.41Å; N37-E40 PolarHBondContact O-N 3.34Å; N37-F41 WeakPolarHBondContact O-CB 3.49Å; N37-F41 PolarHBondContact O-N 2.74Å
38	F	77.9	Confident	83.9	Confident	138 Å²	138	100 Å²	100	61%	0.605	50%	0.502	S	S	*	.	H	α-helix	trans	-58.4	-40.6	-174.2	179.4	-94.9	0	0	0	113.6	V36 S42	V36-F38 PolarHBondContact O-N 3.16Å; F38-S42 WeakPolarHBondContact O-CB 3.4Å; F38-S42 PolarHBondContact O-N 3.14Å
39	A	84.4	Confident	84.2	Confident	51 Å²	51	94.9 Å²	94.9	42%	0.421	48%	0.479	S	S	.	.	H	α-helix	trans	-67.7	-46.8	-177.6	0	0	0	0	0	111.2	N37 S42 K43	N37-A39 VanDerWaalsContact C-N 3.34Å; N37-A39 PolarHBondContact O-N 3.5Å; N37-A39 PolarHBondContact OD1-N 3.17Å; N37-A39 VanDerWaalsContact OD1-N 3.1Å; A39-S42 PolarHBondContact O-N 2.82Å; A39-K43 WeakPolarHBondContact O-CG 3.48Å; A39-K43 PolarHBondContact O-N 3.25Å; A39-K43 VanDerWaalsContact O-N 3.16Å
40	E	83.8	Confident	84.3	Confident	84 Å²	84	93.5 Å²	93.5	39%	0.393	47%	0.473	S	S	.	.	H	α-helix	trans	-68.1	-40.3	178.5	-68.9	-58.9	116.9	0	0	111.8	N37 K43 K44	N37-E40 HydrophobicContact CB-CB 4.2Å; N37-E40 HydrophobicContact CB-CG 4.41Å; N37-E40 PolarHBondContact O-N 3.34Å; E40-K43 PolarHBondContact O-N 3.08Å; E40-K43 IonicContact OE1-NZ 3.16Å; E40-K43 PolarHBondContact OE1-NZ 3.38Å; E40-K43 VanDerWaalsContact OE1-NZ 3.16Å; E40-K44 WeakPolarHBondContact O-CG 3.49Å; E40-K44 PolarHBondContact O-N 3.29Å
41	F	85.3	Confident	84.6	Confident	17 Å²	17	91.9 Å²	91.9	8%	0.075	48%	0.476	C	S	.	.	H	α-helix	trans	-66.3	-40.6	177.4	-178.4	-93.5	0	0	0	112.2	V20 C23 R24 H27 V36 N37 K44 C45	V20-F41 HydrophobicContact CG1-CE1 4.04Å; C23-F41 HydrophobicContact CB-CE2 4.13Å; C23-F41 HydrophobicContact CB-CZ 3.61Å; R24-F41 HydrophobicContact CB-CE1 4.44Å; R24-F41 HydrophobicContact CB-CZ 4.05Å; R24-F41 HydrophobicContact CG-CD1 4.16Å; R24-F41 HydrophobicContact CG-CE1 3.22Å; R24-F41 HydrophobicContact CG-CE2 4.18Å; R24-F41 HydrophobicContact CG-CZ 3.25Å; H27-F41 HydrophobicContact CB-CE2 4.31Å; V36-F41 HydrophobicContact CG1-CB 3.47Å; V36-F41 VanDerWaalsContact CG1-CB 3.47Å; V36-F41 HydrophobicContact CG1-CD1 4.17Å; V36-F41 HydrophobicContact CG1-CD2 3.66Å; V36-F41 HydrophobicContact CG1-CE2 4.5Å; V36-F41 HydrophobicContact CG1-CG 3.47Å; V36-F41 VanDerWaalsContact CG1-CG 3.47Å; N37-F41 WeakPolarHBondContact O-CB 3.49Å; N37-F41 PolarHBondContact O-N 2.74Å; F41-K44 PolarHBondContact O-N 3.24Å; F41-C45 WeakPolarHBondContact CE1-SG 3.43Å; F41-C45 WeakPolarHBondContact CZ-SG 3.41Å; F41-C45 WeakPolarHBondContact O-CB 3.37Å; F41-C45 PolarHBondContact O-N 2.81Å; F41-C45 PolarHBondContact O-SG 2.65Å
42	S	84.9	Confident	85.1	Confident	51 Å²	51	89.2 Å²	89.2	36%	0.357	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-39.8	177.2	-171	0	0	0	0	112.1	F38 A39 S46	F38-S42 WeakPolarHBondContact O-CB 3.4Å; F38-S42 PolarHBondContact O-N 3.14Å; A39-S42 PolarHBondContact O-N 2.82Å; S42-S46 WeakPolarHBondContact O-CB 3.49Å; S42-S46 PolarHBondContact O-N 3.1Å
43	K	89.9	Confident	85.7	Confident	118 Å²	118	87.1 Å²	87.1	51%	0.513	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-50.6	174.2	-71.3	174.2	-171.6	167.3	0	111.2	A39 E40 C45 S46 E47	A39-K43 WeakPolarHBondContact O-CG 3.48Å; A39-K43 PolarHBondContact O-N 3.25Å; A39-K43 VanDerWaalsContact O-N 3.16Å; E40-K43 PolarHBondContact O-N 3.08Å; E40-K43 IonicContact OE1-NZ 3.16Å; E40-K43 PolarHBondContact OE1-NZ 3.38Å; E40-K43 VanDerWaalsContact OE1-NZ 3.16Å; K43-C45 VanDerWaalsContact C-N 3.31Å; K43-C45 PolarHBondContact O-N 3.49Å; K43-S46 WeakPolarHBondContact O-CB 3.43Å; K43-S46 PolarHBondContact O-N 3.16Å; K43-S46 VanDerWaalsContact O-N 3.09Å; K43-E47 PolarHBondContact O-N 2.94Å
44	K	87.8	Confident	86.1	Confident	135 Å²	135	81 Å²	81	59%	0.587	44%	0.436	S	S	*	.	H	α-helix	trans	-58.1	-40.6	178.1	-73.2	177.9	-178.9	179.8	0	112.9	E40 F41 R48	E40-K44 WeakPolarHBondContact O-CG 3.49Å; E40-K44 PolarHBondContact O-N 3.29Å; F41-K44 PolarHBondContact O-N 3.24Å; K44-R48 VanDerWaalsContact O-CB 3.31Å; K44-R48 WeakPolarHBondContact O-CB 3.24Å; K44-R48 PolarHBondContact O-N 3.17Å
45	C	89.3	Confident	86.7	Confident	4 Å²	4	85.9 Å²	85.9	3%	0.027	45%	0.45	C	S	.	.	H	α-helix	trans	-66.1	-41.8	175.7	-69.1	0	0	0	0	111.9	F19 V20 F41 K43 R48 W49	F19-C45 HydrophobicContact CE1-CB 4.12Å; F19-C45 VanDerWaalsContact CE1-O 3.3Å; F19-C45 WeakPolarHBondContact CE1-O 3.49Å; V20-C45 HydrophobicContact CG2-CB 4.02Å; F41-C45 WeakPolarHBondContact CE1-SG 3.43Å; F41-C45 WeakPolarHBondContact CZ-SG 3.41Å; F41-C45 WeakPolarHBondContact O-CB 3.37Å; F41-C45 PolarHBondContact O-N 2.81Å; F41-C45 PolarHBondContact O-SG 2.65Å; K43-C45 VanDerWaalsContact C-N 3.31Å; K43-C45 PolarHBondContact O-N 3.49Å; C45-R48 PolarHBondContact O-N 3.34Å; C45-W49 VanDerWaalsContact O-CB 3.31Å; C45-W49 WeakPolarHBondContact O-CB 3.31Å; C45-W49 PolarHBondContact O-N 3.33Å
46	S	88.8	Confident	87.2	Confident	44 Å²	44	85.2 Å²	85.2	31%	0.308	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-45.5	178.7	-176.5	0	0	0	0	111.8	Y16 S42 K43 W49 K50	Y16-S46 PolarHBondContact OH-N 3.16Å; S42-S46 WeakPolarHBondContact O-CB 3.49Å; S42-S46 PolarHBondContact O-N 3.1Å; K43-S46 WeakPolarHBondContact O-CB 3.43Å; K43-S46 PolarHBondContact O-N 3.16Å; K43-S46 VanDerWaalsContact O-N 3.09Å; S46-W49 PolarHBondContact O-N 2.72Å; S46-K50 WeakPolarHBondContact O-CG 3.47Å; S46-K50 PolarHBondContact O-N 2.96Å
47	E	90.4	Very high	88	Confident	123 Å²	123	84.4 Å²	84.4	58%	0.575	43%	0.428	S	S	*	.	H	α-helix	trans	-61.7	-49.1	176.3	-70.9	170	175.6	0	0	111.5	K43 W49 K50 T51	K43-E47 PolarHBondContact O-N 2.94Å; E47-W49 VanDerWaalsContact C-N 3.34Å; E47-W49 PolarHBondContact O-N 3.49Å; E47-K50 PolarHBondContact O-N 3.48Å; E47-T51 WeakPolarHBondContact O-CG2 3.35Å; E47-T51 PolarHBondContact O-N 3.02Å; E47-T51 PolarHBondContact O-OG1 3.37Å
48	R	88.3	Confident	88.4	Confident	116 Å²	116	82 Å²	82	44%	0.438	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-40.8	178.2	-172.2	177.1	178.4	-172.2	0.1	111.6	F19 E26 K44 C45 K50 T51 M52	F19-R48 HydrophobicContact CE2-CG 4.27Å; F19-R48 HydrophobicContact CZ-CB 3.88Å; F19-R48 HydrophobicContact CZ-CG 3.71Å; E26-R48 IonicContact OE2-CZ 2.77Å; E26-R48 IonicContact OE2-NH1 3.25Å; E26-R48 PolarHBondContact OE2-NH1 3.02Å; E26-R48 IonicContact OE2-NH2 3.98Å; K44-R48 VanDerWaalsContact O-CB 3.31Å; K44-R48 WeakPolarHBondContact O-CB 3.24Å; K44-R48 PolarHBondContact O-N 3.17Å; C45-R48 PolarHBondContact O-N 3.34Å; R48-K50 VanDerWaalsContact C-N 3.35Å; R48-K50 PolarHBondContact O-N 2.97Å; R48-T51 PolarHBondContact O-N 2.94Å; R48-T51 PolarHBondContact O-OG1 2.89Å; R48-M52 HydrophobicContact CG-CG 4.49Å; R48-M52 VanDerWaalsContact O-CG 3.24Å; R48-M52 WeakPolarHBondContact O-CG 3.46Å; R48-M52 PolarHBondContact O-N 3.09Å
49	W	92.3	Very high	89.1	Confident	50 Å²	50	81.5 Å²	81.5	19%	0.189	42%	0.417	C	S	.	.	H	α-helix	trans	-63.5	-39.7	175.9	-177.2	-103	0	0	0	112.2	A15 Y16 F19 C45 S46 E47 M52 K57 F60	A15-W49 HydrophobicContact CB-CH2 3.8Å; A15-W49 HydrophobicContact CB-CZ2 4.2Å; Y16-W49 HydrophobicContact CD2-CB 3.74Å; Y16-W49 AromaticContact CD2-CD1 3.76Å; Y16-W49 AromaticContact CD2-CD2 3.57Å; Y16-W49 HydrophobicContact CD2-CD2 3.57Å; Y16-W49 HydrophobicContact CD2-CE3 4.05Å; Y16-W49 AromaticContact CD2-CG 3.4Å; Y16-W49 HydrophobicContact CD2-CG 3.4Å; Y16-W49 VanDerWaalsContact CD2-CG 3.4Å; Y16-W49 HydrophobicContact CE2-CB 3.6Å; Y16-W49 HydrophobicContact CE2-CD2 4.37Å; Y16-W49 AromaticContact CE2-CG 3.79Å; Y16-W49 HydrophobicContact CE2-CG 3.79Å; Y16-W49 HydrophobicContact CG-CD2 4.47Å; F19-W49 HydrophobicContact CB-CE3 3.58Å; F19-W49 HydrophobicContact CB-CZ3 3.47Å; F19-W49 VanDerWaalsContact CB-CZ3 3.47Å; F19-W49 HydrophobicContact CD1-CB 4.15Å; F19-W49 HydrophobicContact CD1-CD2 4.3Å; F19-W49 AromaticContact CD1-CE3 3.56Å; F19-W49 HydrophobicContact CD1-CE3 3.56Å; F19-W49 HydrophobicContact CD1-CZ3 4.34Å; F19-W49 AromaticContact CD2-CE3 3.92Å; F19-W49 HydrophobicContact CD2-CE3 3.92Å; F19-W49 HydrophobicContact CD2-CZ3 4.23Å; F19-W49 HydrophobicContact CE1-CB 3.86Å; F19-W49 HydrophobicContact CE1-CE3 4.2Å; F19-W49 HydrophobicContact CG-CD2 4.5Å; F19-W49 AromaticContact CG-CE3 3.38Å; F19-W49 HydrophobicContact CG-CE3 3.38Å; F19-W49 AromaticContact CG-CZ3 3.76Å; F19-W49 HydrophobicContact CG-CZ3 3.76Å; F19-W49 HydrophobicContact CZ-CB 4.47Å; C45-W49 VanDerWaalsContact O-CB 3.31Å; C45-W49 WeakPolarHBondContact O-CB 3.31Å; C45-W49 PolarHBondContact O-N 3.33Å; S46-W49 PolarHBondContact O-N 2.72Å; E47-W49 VanDerWaalsContact C-N 3.34Å; E47-W49 PolarHBondContact O-N 3.49Å; W49-M52 HydrophobicContact CD2-CE 4.26Å; W49-M52 HydrophobicContact CE3-CE 3.26Å; W49-M52 HydrophobicContact CZ3-CE 3.48Å; W49-M52 VanDerWaalsContact CZ3-CE 3.48Å; W49-K57 HydrophobicContact CE3-CG 4.49Å; W49-K57 HydrophobicContact CH2-CB 4.26Å; W49-K57 HydrophobicContact CH2-CG 3.93Å; W49-K57 HydrophobicContact CZ2-CD 4.43Å; W49-K57 HydrophobicContact CZ2-CG 4.11Å; W49-K57 HydrophobicContact CZ3-CG 4.13Å; W49-K57 WeakPolarHBondContact O-CE 3.3Å; W49-K57 PolarHBondContact O-NZ 2.81Å; W49-F60 HydrophobicContact CH2-CB 4.01Å; W49-F60 HydrophobicContact CH2-CD2 4.43Å; W49-F60 HydrophobicContact CH2-CG 4.5Å; W49-F60 HydrophobicContact CZ3-CB 4.07Å; W49-F60 AromaticContact CZ3-CD2 3.78Å; W49-F60 HydrophobicContact CZ3-CD2 3.78Å; W49-F60 HydrophobicContact CZ3-CG 4.07Å
50	K	91.9	Very high	89.5	Confident	156 Å²	156	80 Å²	80	68%	0.678	40%	0.401	S	S	*	.	H	α-helix	trans	-64	-42.2	176.4	-73.1	176.1	-178.1	-175.1	0	111.8	S46 E47 R48 K57	S46-K50 WeakPolarHBondContact O-CG 3.47Å; S46-K50 PolarHBondContact O-N 2.96Å; E47-K50 PolarHBondContact O-N 3.48Å; R48-K50 VanDerWaalsContact C-N 3.35Å; R48-K50 PolarHBondContact O-N 2.97Å; K50-K57 PolarHBondContact O-NZ 2.82Å
51	T	90.5	Very high	89.9	Confident	118 Å²	118	79.3 Å²	79.3	72%	0.724	40%	0.4	S	S	*	.	H	α-helix	trans	-81.4	-14.5	-178.1	58.8	0	0	0	0	114.4	E47 R48	E47-T51 WeakPolarHBondContact O-CG2 3.35Å; E47-T51 PolarHBondContact O-N 3.02Å; E47-T51 PolarHBondContact O-OG1 3.37Å; R48-T51 PolarHBondContact O-N 2.94Å; R48-T51 PolarHBondContact O-OG1 2.89Å
52	M	89.1	Confident	90.3	Very high	17 Å²	17	84.2 Å²	84.2	8%	0.084	42%	0.423	C	S	.	.	S	Bend	trans	-64.6	139.8	175.6	-83.5	-158.8	-41.2	0	0	112.2	F19 R48 W49 E56 K57 F60	F19-M52 HydrophobicContact CD2-CE 3.41Å; F19-M52 VanDerWaalsContact CD2-CE 3.41Å; F19-M52 HydrophobicContact CD2-SD 3.99Å; F19-M52 HydrophobicContact CE2-CE 3.45Å; F19-M52 VanDerWaalsContact CE2-CE 3.45Å; F19-M52 HydrophobicContact CE2-SD 3.54Å; F19-M52 VanDerWaalsContact CE2-SD 3.54Å; F19-M52 HydrophobicContact CG-CE 4.11Å; F19-M52 HydrophobicContact CZ-CE 4.19Å; F19-M52 HydrophobicContact CZ-SD 4.38Å; R48-M52 HydrophobicContact CG-CG 4.49Å; R48-M52 VanDerWaalsContact O-CG 3.24Å; R48-M52 WeakPolarHBondContact O-CG 3.46Å; R48-M52 PolarHBondContact O-N 3.09Å; W49-M52 HydrophobicContact CD2-CE 4.26Å; W49-M52 HydrophobicContact CE3-CE 3.26Å; W49-M52 HydrophobicContact CZ3-CE 3.48Å; W49-M52 VanDerWaalsContact CZ3-CE 3.48Å; M52-E56 HydrophobicContact CB-CB 4.32Å; M52-E56 HydrophobicContact CG-CB 4.38Å; M52-E56 HydrophobicContact SD-CB 3.96Å; M52-K57 HydrophobicContact CB-CG 4.24Å; M52-K57 HydrophobicContact CE-CG 4.14Å; M52-K57 WeakPolarHBondContact O-CE 3.11Å; M52-K57 PolarHBondContact O-NZ 3.1Å; M52-F60 HydrophobicContact CE-CD2 4.04Å; M52-F60 HydrophobicContact CE-CE2 3.84Å; M52-F60 HydrophobicContact SD-CE2 4.32Å
53	S	91.1	Very high	90.7	Very high	55 Å²	55	84.9 Å²	84.9	39%	0.385	42%	0.422	S	S	.	.			trans	-69	158.2	176.9	66	0	0	0	0	111.9	K55 E56 K57	S53-K55 PolarHBondContact O-N 3.35Å; S53-E56 PolarHBondContact N-OE2 3.35Å; S53-E56 PolarHBondContact O-N 3.13Å; S53-E56 VanDerWaalsContact O-N 3.12Å; S53-E56 WeakPolarHBondContact OG-CG 3.15Å; S53-E56 PolarHBondContact OG-N 2.94Å; S53-E56 PolarHBondContact OG-OE2 3.41Å; S53-K57 PolarHBondContact O-N 3.46Å
54	G	89.4	Confident	90.9	Very high	59 Å²	59	80.2 Å²	80.2	61%	0.608	41%	0.405	S	S	*	.	H	α-helix	trans	-57	-33.9	176.1	0	0	0	0	0	113	K57 S58	G54-K57 PolarHBondContact O-N 3.03Å; G54-S58 WeakPolarHBondContact O-CB 3.44Å; G54-S58 PolarHBondContact O-N 3.26Å
55	K	88.8	Confident	91.3	Very high	188 Å²	188	80.9 Å²	80.9	82%	0.817	41%	0.408	S	S	*	.	H	α-helix	trans	-65.4	-40.1	176.5	-68.1	-176.2	179.6	179.6	0	112.5	S53 S58	S53-K55 PolarHBondContact O-N 3.35Å; K55-S58 WeakPolarHBondContact O-CB 3.49Å
56	E	86.7	Confident	91.5	Very high	101 Å²	101	83.6 Å²	83.6	47%	0.472	43%	0.431	S	S	.	.	H	α-helix	trans	-72.6	-35.3	177.1	-68.1	166.6	122.9	0	0	111.8	M52 S53 F60	M52-E56 HydrophobicContact CB-CB 4.32Å; M52-E56 HydrophobicContact CG-CB 4.38Å; M52-E56 HydrophobicContact SD-CB 3.96Å; S53-E56 PolarHBondContact N-OE2 3.35Å; S53-E56 PolarHBondContact O-N 3.13Å; S53-E56 VanDerWaalsContact O-N 3.12Å; S53-E56 WeakPolarHBondContact OG-CG 3.15Å; S53-E56 PolarHBondContact OG-N 2.94Å; S53-E56 PolarHBondContact OG-OE2 3.41Å; E56-F60 VanDerWaalsContact O-CD2 3.25Å; E56-F60 WeakPolarHBondContact O-CD2 3.4Å
57	K	92.1	Very high	91.7	Very high	47 Å²	47	82.3 Å²	82.3	20%	0.204	42%	0.42	C	S	.	.	H	α-helix	trans	-67.1	-36.7	173.7	-72.5	170.7	172.4	149.1	0	112.3	W49 K50 M52 S53 G54 K59 F60 D61	W49-K57 HydrophobicContact CE3-CG 4.49Å; W49-K57 HydrophobicContact CH2-CB 4.26Å; W49-K57 HydrophobicContact CH2-CG 3.93Å; W49-K57 HydrophobicContact CZ2-CD 4.43Å; W49-K57 HydrophobicContact CZ2-CG 4.11Å; W49-K57 HydrophobicContact CZ3-CG 4.13Å; W49-K57 WeakPolarHBondContact O-CE 3.3Å; W49-K57 PolarHBondContact O-NZ 2.81Å; K50-K57 PolarHBondContact O-NZ 2.82Å; M52-K57 HydrophobicContact CB-CG 4.24Å; M52-K57 HydrophobicContact CE-CG 4.14Å; M52-K57 WeakPolarHBondContact O-CE 3.11Å; M52-K57 PolarHBondContact O-NZ 3.1Å; S53-K57 PolarHBondContact O-N 3.46Å; G54-K57 PolarHBondContact O-N 3.03Å; K57-K59 PolarHBondContact O-N 3.02Å; K57-K59 VanDerWaalsContact O-N 3.15Å; K57-F60 CarbonylContact O-C 3.5Å; K57-F60 WeakPolarHBondContact O-CA 3.49Å; K57-F60 WeakPolarHBondContact O-CB 3.35Å; K57-F60 PolarHBondContact O-N 3.13Å; K57-D61 PolarHBondContact O-N 2.92Å
58	S	93.3	Very high	91.8	Very high	51 Å²	51	81.9 Å²	81.9	36%	0.357	42%	0.417	S	S	.	.	H	α-helix	trans	-51.2	-41.5	179.5	-165.9	0	0	0	0	112.9	G54 K55 F60 D61 E62	G54-S58 WeakPolarHBondContact O-CB 3.44Å; G54-S58 PolarHBondContact O-N 3.26Å; K55-S58 WeakPolarHBondContact O-CB 3.49Å; S58-F60 VanDerWaalsContact C-N 3.29Å; S58-F60 PolarHBondContact O-N 3.44Å; S58-D61 PolarHBondContact O-N 3.17Å; S58-E62 WeakPolarHBondContact O-CG 3.12Å; S58-E62 PolarHBondContact O-N 3.42Å
59	K	92.9	Very high	92	Very high	127 Å²	127	81 Å²	81	55%	0.552	42%	0.424	S	S	*	.	H	α-helix	trans	-59.1	-39.3	175.7	177.8	176.4	176.3	178.7	0	112.5	K57 M63	K57-K59 PolarHBondContact O-N 3.02Å; K57-K59 VanDerWaalsContact O-N 3.15Å; K59-M63 HydrophobicContact CD-CE 4.29Å; K59-M63 VanDerWaalsContact CE-CE 3.45Å; K59-M63 HydrophobicContact CG-CE 3.86Å; K59-M63 WeakPolarHBondContact O-CG 3.27Å; K59-M63 PolarHBondContact O-N 3.37Å
60	F	93.9	Very high	92.1	Very high	18 Å²	18	82.3 Å²	82.3	8%	0.079	43%	0.429	C	S	.	.	H	α-helix	trans	-79.5	-30.8	178.9	-61.8	-71.2	0	0	0	112.2	A15 F18 F19 T22 W49 M52 E56 K57 S58 M63 A64	A15-F60 WeakPolarHBondContact CA-O 3.29Å; A15-F60 HydrophobicContact CB-CB 3.88Å; A15-F60 WeakPolarHBondContact CB-O 3.45Å; A15-F60 WeakPolarHBondContact O-CB 3.49Å; F18-F60 HydrophobicContact CB-CD1 4.02Å; F19-F60 VanDerWaalsContact CA-CE1 3.49Å; F19-F60 HydrophobicContact CB-CD1 3.9Å; F19-F60 HydrophobicContact CB-CD2 4.17Å; F19-F60 HydrophobicContact CB-CE1 3.94Å; F19-F60 HydrophobicContact CB-CE2 4.21Å; F19-F60 HydrophobicContact CB-CG 4.01Å; F19-F60 HydrophobicContact CB-CZ 4.09Å; F19-F60 HydrophobicContact CD2-CD2 4.32Å; F19-F60 HydrophobicContact CD2-CE1 4.36Å; F19-F60 AromaticContact CD2-CE2 3.67Å; F19-F60 HydrophobicContact CD2-CE2 3.67Å; F19-F60 AromaticContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CG-CE2 4.41Å; F19-F60 HydrophobicContact CG-CZ 4.4Å; T22-F60 HydrophobicContact CG2-CE1 3.82Å; T22-F60 HydrophobicContact CG2-CZ 4.5Å; W49-F60 HydrophobicContact CH2-CB 4.01Å; W49-F60 HydrophobicContact CH2-CD2 4.43Å; W49-F60 HydrophobicContact CH2-CG 4.5Å; W49-F60 HydrophobicContact CZ3-CB 4.07Å; W49-F60 AromaticContact CZ3-CD2 3.78Å; W49-F60 HydrophobicContact CZ3-CD2 3.78Å; W49-F60 HydrophobicContact CZ3-CG 4.07Å; M52-F60 HydrophobicContact CE-CD2 4.04Å; M52-F60 HydrophobicContact CE-CE2 3.84Å; M52-F60 HydrophobicContact SD-CE2 4.32Å; E56-F60 VanDerWaalsContact O-CD2 3.25Å; E56-F60 WeakPolarHBondContact O-CD2 3.4Å; K57-F60 CarbonylContact O-C 3.5Å; K57-F60 WeakPolarHBondContact O-CA 3.49Å; K57-F60 WeakPolarHBondContact O-CB 3.35Å; K57-F60 PolarHBondContact O-N 3.13Å; S58-F60 VanDerWaalsContact C-N 3.29Å; S58-F60 PolarHBondContact O-N 3.44Å; F60-M63 HydrophobicContact CD1-SD 4.21Å; F60-M63 PolarHBondContact O-N 3.21Å; F60-A64 WeakPolarHBondContact O-CB 3.43Å; F60-A64 PolarHBondContact O-N 3.42Å
61	D	91.8	Very high	92	Very high	70 Å²	70	77.1 Å²	77.1	37%	0.374	41%	0.405	S	S	.	.	H	α-helix	trans	-65.2	-41.2	172.7	-66.2	-43.9	0	0	0	111.1	A15 K57 S58 A64 K65	A15-D61 WeakPolarHBondContact CB-OD1 3.38Å; K57-D61 PolarHBondContact O-N 2.92Å; S58-D61 PolarHBondContact O-N 3.17Å; D61-A64 PolarHBondContact O-N 3.47Å; D61-K65 VanDerWaalsContact O-CG 3.3Å; D61-K65 WeakPolarHBondContact O-CG 3.4Å; D61-K65 PolarHBondContact O-N 3.3Å
62	E	93.8	Very high	91.8	Very high	121 Å²	121	75.2 Å²	75.2	57%	0.565	39%	0.391	S	S	*	.	H	α-helix	trans	-61.8	-42.8	172.2	-73.8	173.8	-171.1	0	0	112.2	S58 A64 K65 A66	S58-E62 WeakPolarHBondContact O-CG 3.12Å; S58-E62 PolarHBondContact O-N 3.42Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 3.17Å; E62-K65 PolarHBondContact O-N 2.94Å; E62-A66 PolarHBondContact O-N 3Å
63	M	93.1	Very high	91.8	Very high	65 Å²	65	83 Å²	83	32%	0.32	42%	0.419	S	S	.	.	H	α-helix	trans	-62.4	-40.8	174.7	-70.5	176.8	-171.9	0	0	112	F18 K59 F60 A66 D67	F18-M63 HydrophobicContact CB-CB 4.47Å; F18-M63 HydrophobicContact CB-SD 4.41Å; F18-M63 HydrophobicContact CD1-CB 4.46Å; F18-M63 HydrophobicContact CD2-CB 3.85Å; F18-M63 HydrophobicContact CE2-CB 4.18Å; F18-M63 WeakPolarHBondContact CE2-O 3.48Å; F18-M63 HydrophobicContact CG-CB 4.01Å; K59-M63 HydrophobicContact CD-CE 4.29Å; K59-M63 VanDerWaalsContact CE-CE 3.45Å; K59-M63 HydrophobicContact CG-CE 3.86Å; K59-M63 WeakPolarHBondContact O-CG 3.27Å; K59-M63 PolarHBondContact O-N 3.37Å; F60-M63 HydrophobicContact CD1-SD 4.21Å; F60-M63 PolarHBondContact O-N 3.21Å; M63-A66 PolarHBondContact O-N 2.57Å; M63-D67 WeakPolarHBondContact O-CB 3.44Å; M63-D67 PolarHBondContact O-N 3.1Å
64	A	94.5	Very high	91.7	Very high	19 Å²	19	83.6 Å²	83.6	16%	0.157	42%	0.416	C	S	.	.	H	α-helix	trans	-65.5	-39.7	176.4	0	0	0	0	0	112.2	A15 F60 D61 E62 D67 K68	A15-A64 HydrophobicContact CB-CB 4.11Å; F60-A64 WeakPolarHBondContact O-CB 3.43Å; F60-A64 PolarHBondContact O-N 3.42Å; D61-A64 PolarHBondContact O-N 3.47Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 3.17Å; A64-D67 PolarHBondContact O-N 3.16Å; A64-K68 PolarHBondContact O-N 3.48Å
65	K	94.4	Very high	91.5	Very high	149 Å²	149	83.2 Å²	83.2	65%	0.648	40%	0.399	S	S	*	.	H	α-helix	trans	-62.5	-45.9	173.6	-72.9	173.1	-177.6	-179.3	0	111.1	D61 E62 D67 K68 V69	D61-K65 VanDerWaalsContact O-CG 3.3Å; D61-K65 WeakPolarHBondContact O-CG 3.4Å; D61-K65 PolarHBondContact O-N 3.3Å; E62-K65 PolarHBondContact O-N 2.94Å; K65-D67 VanDerWaalsContact C-N 3.32Å; K65-D67 PolarHBondContact O-N 3.13Å; K65-K68 WeakPolarHBondContact O-CB 3.38Å; K65-K68 PolarHBondContact O-N 3.49Å; K65-V69 WeakPolarHBondContact O-CG2 3.47Å; K65-V69 PolarHBondContact O-N 3.06Å; K65-V69 VanDerWaalsContact O-N 3.14Å
66	A	94.1	Very high	91.2	Very high	62 Å²	62	82.8 Å²	82.8	51%	0.512	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-39	176.2	0	0	0	0	0	112.2	E62 M63 V69 R70	E62-A66 PolarHBondContact O-N 3Å; M63-A66 PolarHBondContact O-N 2.57Å; A66-V69 PolarHBondContact O-N 2.91Å; A66-R70 PolarHBondContact O-N 3.06Å
67	D	92.6	Very high	91	Very high	17 Å²	17	83.9 Å²	83.9	9%	0.091	41%	0.406	C	S	.	.	H	α-helix	trans	-70.9	-31.8	177.6	-165.9	69.8	0	0	0	113	K12 M13 F18 M63 A64 K65 R70 Y71	K12-D67 WeakPolarHBondContact CA-OD2 3.34Å; M13-D67 PolarHBondContact N-OD2 2.82Å; F18-D67 HydrophobicContact CE2-CB 3.59Å; F18-D67 HydrophobicContact CZ-CB 3.63Å; M63-D67 WeakPolarHBondContact O-CB 3.44Å; M63-D67 PolarHBondContact O-N 3.1Å; A64-D67 PolarHBondContact O-N 3.16Å; K65-D67 VanDerWaalsContact C-N 3.32Å; K65-D67 PolarHBondContact O-N 3.13Å; D67-R70 PolarHBondContact O-N 3.35Å; D67-R70 IonicContact OD1-CZ 3.61Å; D67-R70 VanDerWaalsContact OD1-CZ 3.25Å; D67-R70 IonicContact OD1-NE 3.77Å; D67-R70 PolarHBondContact OD1-NE 2.96Å; D67-R70 IonicContact OD1-NH2 3.65Å; D67-R70 PolarHBondContact OD1-NH2 3.37Å; D67-R70 IonicContact OD2-NH2 3.97Å; D67-R70 PolarHBondContact OD2-NH2 3.42Å; D67-Y71 WeakPolarHBondContact O-CB 3.47Å; D67-Y71 PolarHBondContact O-N 2.64Å
68	K	92.8	Very high	90.4	Very high	113 Å²	113	83.6 Å²	83.6	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-58.1	-49.6	167.9	-176.2	-176.8	175.8	-174.6	0	110.2	A64 K65 R70 Y71 D72	A64-K68 PolarHBondContact O-N 3.48Å; K65-K68 WeakPolarHBondContact O-CB 3.38Å; K65-K68 PolarHBondContact O-N 3.49Å; K68-R70 PolarHBondContact O-N 3.05Å; K68-Y71 PolarHBondContact O-N 2.73Å; K68-D72 WeakPolarHBondContact O-CB 3.36Å; K68-D72 PolarHBondContact O-N 2.96Å
69	V	93.7	Very high	89.1	Confident	99 Å²	99	83.7 Å²	83.7	60%	0.6	41%	0.413	S	S	*	.	H	α-helix	trans	-61.7	-42.9	178.2	176.9	0	0	0	0	111.8	K65 A66 D72 R73	K65-V69 WeakPolarHBondContact O-CG2 3.47Å; K65-V69 PolarHBondContact O-N 3.06Å; K65-V69 VanDerWaalsContact O-N 3.14Å; A66-V69 PolarHBondContact O-N 2.91Å; V69-D72 PolarHBondContact O-N 3.07Å; V69-R73 WeakPolarHBondContact O-CB 3.44Å; V69-R73 PolarHBondContact O-N 3.5Å
70	R	93.8	Very high	87.7	Confident	76 Å²	76	81.1 Å²	81.1	29%	0.287	41%	0.409	S	S	.	.	H	α-helix	trans	-57.1	-51.5	173.5	179.8	-163.2	63.6	78	7.9	110.8	K10 A66 D67 K68 D72 R73 E74	K10-R70 PolarHBondContact O-NH2 2.86Å; A66-R70 PolarHBondContact O-N 3.06Å; D67-R70 PolarHBondContact O-N 3.35Å; D67-R70 IonicContact OD1-CZ 3.61Å; D67-R70 VanDerWaalsContact OD1-CZ 3.25Å; D67-R70 IonicContact OD1-NE 3.77Å; D67-R70 PolarHBondContact OD1-NE 2.96Å; D67-R70 IonicContact OD1-NH2 3.65Å; D67-R70 PolarHBondContact OD1-NH2 3.37Å; D67-R70 IonicContact OD2-NH2 3.97Å; D67-R70 PolarHBondContact OD2-NH2 3.42Å; K68-R70 PolarHBondContact O-N 3.05Å; R70-D72 PolarHBondContact O-N 3.43Å; R70-R73 PolarHBondContact O-N 3.37Å; R70-E74 WeakPolarHBondContact CD-OE1 3.27Å; R70-E74 HydrophobicContact CG-CG 4.4Å; R70-E74 VanDerWaalsContact CG-OE1 3.26Å; R70-E74 WeakPolarHBondContact CG-OE1 3.39Å; R70-E74 IonicContact CZ-OE1 2.94Å; R70-E74 IonicContact CZ-OE2 3.82Å; R70-E74 IonicContact NE-OE1 3.3Å; R70-E74 IonicContact NH1-OE1 2.71Å; R70-E74 PolarHBondContact NH1-OE1 2.93Å; R70-E74 IonicContact NH1-OE2 2.65Å; R70-E74 PolarHBondContact NH1-OE2 3.41Å; R70-E74 WeakPolarHBondContact O-CB 3.17Å; R70-E74 WeakPolarHBondContact O-CG 3.3Å; R70-E74 PolarHBondContact O-N 2.87Å
71	Y	89.6	Confident	85.8	Confident	47 Å²	47	84.2 Å²	84.2	18%	0.184	44%	0.438	C	S	.	.	H	α-helix	trans	-61.3	-44.3	-178.4	177.5	-101.1	0	0	0	111.9	P9 K10 K12 D67 K68 R73 E74 M75	P9-Y71 HydrophobicContact CB-CD2 4.28Å; P9-Y71 HydrophobicContact CB-CE2 4.25Å; K10-Y71 VanDerWaalsContact O-CD2 3.24Å; K10-Y71 WeakPolarHBondContact O-CD2 3.49Å; K12-Y71 HydrophobicContact CB-CD1 4.4Å; K12-Y71 HydrophobicContact CB-CG 4.13Å; D67-Y71 WeakPolarHBondContact O-CB 3.47Å; D67-Y71 PolarHBondContact O-N 2.64Å; K68-Y71 PolarHBondContact O-N 2.73Å; Y71-R73 PolarHBondContact O-N 3Å; Y71-E74 PolarHBondContact O-N 3.49Å; Y71-M75 HydrophobicContact CD1-CG 4.08Å; Y71-M75 HydrophobicContact CD2-CG 4.14Å; Y71-M75 HydrophobicContact CE1-CG 3.65Å; Y71-M75 HydrophobicContact CE2-CG 3.72Å; Y71-M75 HydrophobicContact CE2-SD 4.11Å; Y71-M75 HydrophobicContact CG-CG 4.33Å; Y71-M75 VanDerWaalsContact CZ-CG 3.46Å; Y71-M75 VanDerWaalsContact O-CB 3.25Å; Y71-M75 WeakPolarHBondContact O-CB 3.47Å; Y71-M75 VanDerWaalsContact O-CG 3.27Å; Y71-M75 WeakPolarHBondContact O-CG 3.41Å; Y71-M75 PolarHBondContact O-N 2.8Å
72	D	86.4	Confident	84	Confident	78 Å²	78	90.5 Å²	90.5	42%	0.417	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-40.8	-179.7	-65.5	-16.3	0	0	0	111	K68 V69 R70 M75 K76	K68-D72 WeakPolarHBondContact O-CB 3.36Å; K68-D72 PolarHBondContact O-N 2.96Å; V69-D72 PolarHBondContact O-N 3.07Å; R70-D72 PolarHBondContact O-N 3.43Å; D72-M75 PolarHBondContact O-N 3.36Å; D72-K76 PolarHBondContact O-N 2.89Å
73	R	89.4	Confident	82	Confident	181 Å²	181	88 Å²	88	68%	0.683	47%	0.469	S	S	*	.	H	α-helix	trans	-62.7	-50.2	172.9	-178.3	-179.5	176	-179.7	1.1	112	V69 R70 Y71 M75 K76 D77	V69-R73 WeakPolarHBondContact O-CB 3.44Å; V69-R73 PolarHBondContact O-N 3.5Å; R70-R73 PolarHBondContact O-N 3.37Å; Y71-R73 PolarHBondContact O-N 3Å; R73-M75 VanDerWaalsContact C-N 3.27Å; R73-M75 PolarHBondContact O-N 2.81Å; R73-K76 WeakPolarHBondContact O-CB 3.08Å; R73-K76 PolarHBondContact O-N 3.21Å; R73-D77 PolarHBondContact O-N 3.44Å
74	E	88.6	Confident	79.8	Confident	68 Å²	68	88.1 Å²	88.1	32%	0.318	49%	0.487	S	S	.	.	H	α-helix	trans	-62.2	-36	178.4	-74	178.9	-162.9	0	0	111.7	P9 R70 Y71 D77 Y78	P9-E74 HydrophobicContact CB-CB 3.76Å; P9-E74 WeakPolarHBondContact CB-OE2 3.25Å; P9-E74 HydrophobicContact CG-CB 3.69Å; P9-E74 WeakPolarHBondContact CG-O 3.44Å; R70-E74 WeakPolarHBondContact CD-OE1 3.27Å; R70-E74 HydrophobicContact CG-CG 4.4Å; R70-E74 VanDerWaalsContact CG-OE1 3.26Å; R70-E74 WeakPolarHBondContact CG-OE1 3.39Å; R70-E74 IonicContact CZ-OE1 2.94Å; R70-E74 IonicContact CZ-OE2 3.82Å; R70-E74 IonicContact NE-OE1 3.3Å; R70-E74 IonicContact NH1-OE1 2.71Å; R70-E74 PolarHBondContact NH1-OE1 2.93Å; R70-E74 IonicContact NH1-OE2 2.65Å; R70-E74 PolarHBondContact NH1-OE2 3.41Å; R70-E74 WeakPolarHBondContact O-CB 3.17Å; R70-E74 WeakPolarHBondContact O-CG 3.3Å; R70-E74 PolarHBondContact O-N 2.87Å; Y71-E74 PolarHBondContact O-N 3.49Å; E74-D77 PolarHBondContact O-N 3.26Å; E74-Y78 WeakPolarHBondContact O-CB 3.5Å; E74-Y78 PolarHBondContact O-N 3.47Å
75	M	85.1	Confident	77.8	Confident	50 Å²	50	96.8 Å²	96.8	25%	0.246	52%	0.521	C	S	.	.	H	α-helix	trans	-69.3	-34	176.7	-81	-62.1	-56.8	0	0	112.9	P9 Y71 D72 R73 Y78	P9-M75 HydrophobicContact CB-CG 4.38Å; P9-M75 HydrophobicContact CB-SD 4.17Å; P9-M75 HydrophobicContact CG-CG 4.29Å; P9-M75 HydrophobicContact CG-SD 3.88Å; Y71-M75 HydrophobicContact CD1-CG 4.08Å; Y71-M75 HydrophobicContact CD2-CG 4.14Å; Y71-M75 HydrophobicContact CE1-CG 3.65Å; Y71-M75 HydrophobicContact CE2-CG 3.72Å; Y71-M75 HydrophobicContact CE2-SD 4.11Å; Y71-M75 HydrophobicContact CG-CG 4.33Å; Y71-M75 VanDerWaalsContact CZ-CG 3.46Å; Y71-M75 VanDerWaalsContact O-CB 3.25Å; Y71-M75 WeakPolarHBondContact O-CB 3.47Å; Y71-M75 VanDerWaalsContact O-CG 3.27Å; Y71-M75 WeakPolarHBondContact O-CG 3.41Å; Y71-M75 PolarHBondContact O-N 2.8Å; D72-M75 PolarHBondContact O-N 3.36Å; R73-M75 VanDerWaalsContact C-N 3.27Å; R73-M75 PolarHBondContact O-N 2.81Å; M75-Y78 HydrophobicContact CE-CD1 4.29Å; M75-Y78 PolarHBondContact O-N 2.88Å; M75-Y78 HydrophobicContact SD-CD1 4.09Å
76	K	83.6	Confident	76	Confident	179 Å²	179	97.3 Å²	97.3	78%	0.778	52%	0.523	S	S	*	.	H	α-helix	trans	-62.8	-44.4	172.7	-175.2	176.5	178.6	172.4	0	111.2	D72 R73	D72-K76 PolarHBondContact O-N 2.89Å; R73-K76 WeakPolarHBondContact O-CB 3.08Å; R73-K76 PolarHBondContact O-N 3.21Å
77	D	81.2	Confident	74.3	Confident	125 Å²	125	104.3 Å²	104.3	67%	0.668	54%	0.542	S	S	*	.	H	α-helix	trans	-74.5	-27.2	178.5	-64.7	-25.9	0	0	0	112.5	R73 E74 G79	R73-D77 PolarHBondContact O-N 3.44Å; E74-D77 PolarHBondContact O-N 3.26Å; D77-G79 PolarHBondContact O-N 3.14Å
78	Y	79.2	Confident	73	Confident	41 Å²	41	112.1 Å²	112.1	16%	0.161	58%	0.575	C	S	.	*	H	α-helix	trans	-70.5	-15.7	-179.8	178.7	-116.6	0	0	0	113.6	D5 K7 K8 P9 E74 M75 P80	D5-Y78 WeakPolarHBondContact CB-OH 3.16Å; D5-Y78 VanDerWaalsContact CG-OH 3.22Å; D5-Y78 PolarHBondContact OD2-OH 3.46Å; D5-Y78 VanDerWaalsContact OD2-OH 3.07Å; K7-Y78 HydrophobicContact CB-CE2 3.93Å; K7-Y78 HydrophobicContact CG-CD2 4.3Å; K7-Y78 HydrophobicContact CG-CE2 4.12Å; K7-Y78 WeakPolarHBondContact O-CD2 3.47Å; K7-Y78 WeakPolarHBondContact O-CE2 3.5Å; K8-Y78 VanDerWaalsContact CA-CE2 3.41Å; K8-Y78 VanDerWaalsContact CA-CZ 3.43Å; K8-Y78 HydrophobicContact CB-CE1 4.05Å; K8-Y78 HydrophobicContact CB-CE2 4.2Å; K8-Y78 HydrophobicContact CG-CD1 4.47Å; K8-Y78 HydrophobicContact CG-CE1 3.88Å; K8-Y78 VanDerWaalsContact N-CE2 3.34Å; P9-Y78 HydrophobicContact CG-CD1 4.45Å; P9-Y78 HydrophobicContact CG-CG 3.98Å; E74-Y78 WeakPolarHBondContact O-CB 3.5Å; E74-Y78 PolarHBondContact O-N 3.47Å; M75-Y78 HydrophobicContact CE-CD1 4.29Å; M75-Y78 PolarHBondContact O-N 2.88Å; M75-Y78 HydrophobicContact SD-CD1 4.09Å; Y78-P80 HydrophobicContact CD1-CB 4.26Å; Y78-P80 HydrophobicContact CE1-CB 4.12Å; Y78-P80 VanDerWaalsContact O-N 3.12Å
79	G	66.4	Low	71.9	Confident	52 Å²	52	110 Å²	110	54%	0.536	57%	0.57	S	S	.	*			trans	31.6	68	173.2	0	0	0	0	0	111.7	D77 A81	D77-G79 PolarHBondContact O-N 3.14Å; G79-A81 PolarHBondContact O-N 3.35Å
80	P	63.2	Low	71	Confident	74 Å²	74	111.1 Å²	111.1	48%	0.481	58%	0.579	S	S	.	*			trans	-50.2	118.9	-161.9	20	-32.5	0	0	0	107.6	Y78 K82	Y78-P80 HydrophobicContact CD1-CB 4.26Å; Y78-P80 HydrophobicContact CE1-CB 4.12Å; Y78-P80 VanDerWaalsContact O-N 3.12Å; P80-K82 VanDerWaalsContact C-N 3.31Å; P80-K82 PolarHBondContact O-N 3.13Å
81	A	55.5	Low	70.1	Confident	83 Å²	83	113.7 Å²	113.7	69%	0.686	60%	0.598	S	S	*	*			trans	-48.4	107.8	172	0	0	0	0	0	104.7	G79 G83	G79-A81 PolarHBondContact O-N 3.35Å; A81-G83 VanDerWaalsContact C-N 3.26Å; A81-G83 VanDerWaalsContact O-CA 3.3Å; A81-G83 WeakPolarHBondContact O-CA 3.3Å; A81-G83 PolarHBondContact O-N 3.45Å
82	K	53.8	Low	69.5	Low	202 Å²	202	113.1 Å²	113.1	88%	0.878	60%	0.603	S	S	*	*			trans	-47.3	101.2	-173.2	-86.5	178.9	177.1	164.9	0	104.9	P80 G84	P80-K82 VanDerWaalsContact C-N 3.31Å; P80-K82 PolarHBondContact O-N 3.13Å; K82-G84 WeakPolarHBondContact O-CA 3.4Å; K82-G84 PolarHBondContact O-N 3.3Å
83	G	51.3	Low	69.2	Low	69 Å²	69	110.9 Å²	110.9	71%	0.711	59%	0.593	S	S	*	*			trans	-53.5	113.2	-166.7	0	0	0	0	0	105	A81 K85	A81-G83 VanDerWaalsContact C-N 3.26Å; A81-G83 VanDerWaalsContact O-CA 3.3Å; A81-G83 WeakPolarHBondContact O-CA 3.3Å; A81-G83 PolarHBondContact O-N 3.45Å; G83-K85 PolarHBondContact O-N 3.38Å
84	G	46.1	Very low	69	Low	67 Å²	67	111.3 Å²	111.3	69%	0.691	60%	0.599	S	S	*	*			trans	-45.6	119.1	-162.6	0	0	0	0	0	107.6	K82 K86	K82-G84 WeakPolarHBondContact O-CA 3.4Å; K82-G84 PolarHBondContact O-N 3.3Å; G84-K86 PolarHBondContact O-N 2.86Å
85	K	53.2	Low	68.8	Low	201 Å²	201	116.1 Å²	116.1	87%	0.874	62%	0.615	S	S	*	*			trans	-44.2	109.6	-171.9	-75.6	178.3	179.7	173.1	0	106.4	G83 K87	G83-K85 PolarHBondContact O-N 3.38Å; K85-K87 PolarHBondContact O-N 3.05Å; K85-K87 VanDerWaalsContact O-N 3.07Å
86	K	56.3	Low	69.1	Low	159 Å²	159	115.6 Å²	115.6	69%	0.691	62%	0.615	S	S	*	*			trans	-48.2	126.1	179.4	-74.9	-176.4	177.8	-179.3	0	105.8	G84 K88	G84-K86 PolarHBondContact O-N 2.86Å; K86-K88 PolarHBondContact O-N 3.12Å
87	K	58.5	Low	69.3	Low	210 Å²	210	109.9 Å²	109.9	91%	0.913	60%	0.596	S	S	*	*			trans	-47.5	115.6	-178.6	-74.5	-178.4	-179.1	178.5	0	106.8	K85 D89	K85-K87 PolarHBondContact O-N 3.05Å; K85-K87 VanDerWaalsContact O-N 3.07Å; K87-D89 PolarHBondContact O-N 2.97Å
88	K	66.2	Low	69.8	Low	180 Å²	180	106.7 Å²	106.7	78%	0.783	58%	0.584	S	S	*	*			trans	-61	133.7	177.7	-69.9	178.3	179.3	-179.9	0	106.5	K86 P90	K86-K88 PolarHBondContact O-N 3.12Å; K88-P90 WeakPolarHBondContact O-CD 3.27Å
89	D	69.1	Low	70.3	Confident	70 Å²	70	105.1 Å²	105.1	37%	0.374	58%	0.58	S	S	.	*			trans	-55.3	124.7	175.3	-176.8	-20.3	0	0	0	108.5	K87 N91 A92 Y160	K87-D89 PolarHBondContact O-N 2.97Å; D89-N91 PolarHBondContact O-N 3.36Å; D89-N91 WeakPolarHBondContact OD1-CB 3.22Å; D89-N91 PolarHBondContact OD1-N 3.46Å; D89-A92 HydrophobicContact CB-CB 3.94Å; D89-A92 PolarHBondContact O-N 3.18Å; D89-A92 VanDerWaalsContact O-N 3.15Å; D89-Y160 PolarHBondContact OD2-OH 3.42Å
90	P	74.6	Confident	71.5	Confident	122 Å²	122	105.5 Å²	105.5	79%	0.792	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-26.6	176.2	-25.4	34.9	0	0	0	114.1	K88	K88-P90 WeakPolarHBondContact O-CD 3.27Å
91	N	74.3	Confident	72.9	Confident	129 Å²	129	108.2 Å²	108.2	69%	0.69	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-7.5	-178.2	-63.6	-31.5	0	0	0	113.4	D89 Y160	D89-N91 PolarHBondContact O-N 3.36Å; D89-N91 WeakPolarHBondContact OD1-CB 3.22Å; D89-N91 PolarHBondContact OD1-N 3.46Å; N91-Y160 HydrophobicContact CB-CE2 4.23Å; N91-Y160 WeakPolarHBondContact O-CD2 3.38Å; N91-Y160 WeakPolarHBondContact O-CE2 3.08Å
92	A	77.8	Confident	74.6	Confident	35 Å²	35	105.5 Å²	105.5	29%	0.289	55%	0.545	S	S	.	.	S	Bend	trans	-70	136.8	175.5	0	0	0	0	0	109.9	D89 K94	D89-A92 HydrophobicContact CB-CB 3.94Å; D89-A92 PolarHBondContact O-N 3.18Å; D89-A92 VanDerWaalsContact O-N 3.15Å; A92-K94 PolarHBondContact O-N 2.91Å
93	P	80.9	Confident	76.5	Confident	31 Å²	31	96 Å²	96	20%	0.201	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-49.6	136.8	170.6	-27.8	35.6	0	0	0	110.4	Y153 D156 V157 Y160	P93-Y153 HydrophobicContact CB-CD2 3.84Å; P93-Y153 HydrophobicContact CB-CE2 3.61Å; P93-Y153 WeakPolarHBondContact O-CE2 3.29Å; P93-D156 HydrophobicContact CB-CB 4.13Å; P93-D156 HydrophobicContact CG-CB 4.05Å; P93-V157 HydrophobicContact CB-CG2 3.91Å; P93-V157 HydrophobicContact CG-CG2 4.01Å; P93-Y160 HydrophobicContact CG-CG 4.33Å
94	K	83.4	Confident	78.4	Confident	190 Å²	190	93.4 Å²	93.4	83%	0.826	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-85.3	135.5	177.3	-71	178	-176.4	169.2	0	109.4	A92 Y153	A92-K94 PolarHBondContact O-N 2.91Å; K94-Y153 WeakPolarHBondContact O-CD2 2.79Å; K94-Y153 VanDerWaalsContact O-CE2 3.29Å; K94-Y153 WeakPolarHBondContact O-CE2 3.47Å
95	R	86.1	Confident	80.5	Confident	170 Å²	170	93.8 Å²	93.8	64%	0.642	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-56.4	134.4	175.7	-65.5	-176	-178.8	-163.7	-4.7	110.2	Y153	R95-Y153 HydrophobicContact CG-CE1 4.49Å; R95-Y153 HydrophobicContact CG-CE2 4.42Å
96	P	89.6	Confident	82.3	Confident	39 Å²	39	87.8 Å²	87.8	25%	0.253	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-70.3	155.9	177	29	-32.5	0	0	0	110.7	L149 K150 Y153	P96-L149 HydrophobicContact CB-CB 3.65Å; P96-L149 HydrophobicContact CG-CB 4.4Å; P96-K150 HydrophobicContact CG-CB 4.49Å; P96-Y153 HydrophobicContact CG-CG 4.3Å
97	P	88.9	Confident	83.8	Confident	59 Å²	59	82.8 Å²	82.8	38%	0.383	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-65.9	142.8	171.2	29.2	-34.6	0	0	0	110.8	F101 L102 L149	P97-F101 HydrophobicContact CB-CB 3.91Å; P97-L102 HydrophobicContact CB-CD2 4.2Å; P97-L102 HydrophobicContact CB-CG 4.3Å; P97-L102 HydrophobicContact CG-CD2 3.59Å; P97-L102 HydrophobicContact CG-CG 4.09Å; P97-L149 HydrophobicContact CG-CD1 4.19Å
98	S	91.7	Very high	85.4	Confident	57 Å²	57	77.8 Å²	77.8	40%	0.399	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-73.8	170.1	170.9	70.7	0	0	0	0	111.5	F100 F101 L102	S98-F100 VanDerWaalsContact C-N 3.31Å; S98-F100 PolarHBondContact O-N 3.15Å; S98-F101 PolarHBondContact O-N 2.98Å; S98-F101 WeakPolarHBondContact OG-CD2 3.39Å; S98-L102 WeakPolarHBondContact O-CG 3.09Å; S98-L102 PolarHBondContact O-N 2.84Å
99	G	90.4	Very high	86.6	Confident	8 Å²	8	72.8 Å²	72.8	8%	0.082	38%	0.381	C	S	.	.	H	α-helix	trans	-53.8	-47.1	178.4	0	0	0	0	0	112.3	F101 L102 F103 Y142 A146	G99-F101 VanDerWaalsContact C-N 3.34Å; G99-F101 PolarHBondContact O-N 3.14Å; G99-L102 WeakPolarHBondContact O-CB 3.4Å; G99-L102 PolarHBondContact O-N 3.07Å; G99-F103 PolarHBondContact O-N 2.86Å; G99-Y142 WeakPolarHBondContact CA-O 3.43Å; G99-A146 VanDerWaalsContact N-CB 3.32Å
100	F	91.2	Very high	87.7	Confident	60 Å²	60	74.8 Å²	74.8	26%	0.263	39%	0.387	S	S	.	.	H	α-helix	trans	-57.9	-42.1	174.2	175.7	-114.1	0	0	0	113.4	S98 F103 C104 W131	S98-F100 VanDerWaalsContact C-N 3.31Å; S98-F100 PolarHBondContact O-N 3.15Å; F100-F103 WeakPolarHBondContact O-CB 3.42Å; F100-F103 PolarHBondContact O-N 3.1Å; F100-C104 VanDerWaalsContact CE1-SG 3.56Å; F100-C104 WeakPolarHBondContact CE2-SG 3.39Å; F100-C104 WeakPolarHBondContact CZ-SG 3.44Å; F100-C104 WeakPolarHBondContact O-CB 3.42Å; F100-C104 PolarHBondContact O-N 2.77Å; F100-C104 PolarHBondContact O-SG 2.96Å; F100-W131 HydrophobicContact CB-CD2 4.29Å; F100-W131 HydrophobicContact CB-CZ2 4.4Å; F100-W131 HydrophobicContact CD2-CB 3.61Å; F100-W131 AromaticContact CD2-CD1 3.81Å; F100-W131 AromaticContact CD2-CD2 3.73Å; F100-W131 HydrophobicContact CD2-CD2 3.73Å; F100-W131 HydrophobicContact CD2-CE3 4.28Å; F100-W131 AromaticContact CD2-CG 3.41Å; F100-W131 HydrophobicContact CD2-CG 3.41Å; F100-W131 VanDerWaalsContact CD2-CG 3.41Å; F100-W131 HydrophobicContact CE2-CB 3.65Å; F100-W131 AromaticContact CE2-CG 3.97Å; F100-W131 HydrophobicContact CE2-CG 3.97Å; F100-W131 HydrophobicContact CG-CG 4.43Å
101	F	91.6	Very high	88.3	Confident	131 Å²	131	69.6 Å²	69.6	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-70.1	-32.4	178.2	-87.2	-74.1	0	0	0	112.9	P97 S98 G99 S105	P97-F101 HydrophobicContact CB-CB 3.91Å; S98-F101 PolarHBondContact O-N 2.98Å; S98-F101 WeakPolarHBondContact OG-CD2 3.39Å; G99-F101 VanDerWaalsContact C-N 3.34Å; G99-F101 PolarHBondContact O-N 3.14Å; F101-S105 WeakPolarHBondContact O-CB 3.2Å; F101-S105 PolarHBondContact O-N 2.78Å
102	L	92	Very high	89	Confident	27 Å²	27	69.7 Å²	69.7	14%	0.141	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-48.3	170.8	-68.5	172.8	0	0	0	110.4	P97 S98 G99 C104 S105 E106 Y142 K145 A146 L149	P97-L102 HydrophobicContact CB-CD2 4.2Å; P97-L102 HydrophobicContact CB-CG 4.3Å; P97-L102 HydrophobicContact CG-CD2 3.59Å; P97-L102 HydrophobicContact CG-CG 4.09Å; S98-L102 WeakPolarHBondContact O-CG 3.09Å; S98-L102 PolarHBondContact O-N 2.84Å; G99-L102 WeakPolarHBondContact O-CB 3.4Å; G99-L102 PolarHBondContact O-N 3.07Å; L102-C104 PolarHBondContact O-N 3.47Å; L102-S105 WeakPolarHBondContact O-CB 3.33Å; L102-S105 PolarHBondContact O-N 2.93Å; L102-S105 VanDerWaalsContact O-N 3.16Å; L102-S105 PolarHBondContact O-OG 3.39Å; L102-E106 PolarHBondContact O-N 2.72Å; L102-Y142 HydrophobicContact CB-CD1 4.08Å; L102-K145 HydrophobicContact CD1-CB 3.79Å; L102-A146 HydrophobicContact CD1-CB 4.1Å; L102-L149 HydrophobicContact CD1-CD1 4.35Å; L102-L149 HydrophobicContact CD2-CD1 4.35Å
103	F	92.4	Very high	89.6	Confident	3 Å²	3	72.8 Å²	72.8	1%	0.013	37%	0.366	C	S	.	.	H	α-helix	trans	-57.1	-50.1	173.7	171.2	-100.4	0	0	0	111.9	G99 F100 S105 E106 F107 L127 M130 W131 L134 Y142	G99-F103 PolarHBondContact O-N 2.86Å; F100-F103 WeakPolarHBondContact O-CB 3.42Å; F100-F103 PolarHBondContact O-N 3.1Å; F103-S105 PolarHBondContact O-N 2.8Å; F103-E106 PolarHBondContact O-N 2.94Å; F103-E106 VanDerWaalsContact O-N 3.08Å; F103-F107 AromaticContact CD2-CD2 3.45Å; F103-F107 HydrophobicContact CD2-CD2 3.45Å; F103-F107 VanDerWaalsContact CD2-CD2 3.45Å; F103-F107 AromaticContact CD2-CE2 3.51Å; F103-F107 HydrophobicContact CD2-CE2 3.51Å; F103-F107 HydrophobicContact CD2-CG 4.27Å; F103-F107 HydrophobicContact CD2-CZ 4.36Å; F103-F107 HydrophobicContact CE2-CD1 4.14Å; F103-F107 AromaticContact CE2-CD2 3.26Å; F103-F107 HydrophobicContact CE2-CD2 3.26Å; F103-F107 HydrophobicContact CE2-CE1 4.13Å; F103-F107 AromaticContact CE2-CE2 3.26Å; F103-F107 HydrophobicContact CE2-CE2 3.26Å; F103-F107 AromaticContact CE2-CG 3.73Å; F103-F107 HydrophobicContact CE2-CG 3.73Å; F103-F107 AromaticContact CE2-CZ 3.7Å; F103-F107 HydrophobicContact CE2-CZ 3.7Å; F103-F107 HydrophobicContact CG-CD2 4.19Å; F103-F107 HydrophobicContact CZ-CB 4.3Å; F103-F107 HydrophobicContact CZ-CD1 4.22Å; F103-F107 AromaticContact CZ-CD2 3.88Å; F103-F107 HydrophobicContact CZ-CD2 3.88Å; F103-F107 HydrophobicContact CZ-CE2 4.22Å; F103-F107 AromaticContact CZ-CG 3.88Å; F103-F107 HydrophobicContact CZ-CG 3.88Å; F103-F107 WeakPolarHBondContact O-CD2 3.37Å; F103-F107 PolarHBondContact O-N 3.3Å; F103-L127 HydrophobicContact CE1-CD2 3.97Å; F103-M130 HydrophobicContact CE1-CB 4.15Å; F103-M130 HydrophobicContact CZ-CB 3.93Å; F103-W131 HydrophobicContact CB-CE3 3.63Å; F103-W131 HydrophobicContact CB-CZ3 3.6Å; F103-W131 HydrophobicContact CD1-CB 4.27Å; F103-W131 AromaticContact CD1-CE3 3.76Å; F103-W131 HydrophobicContact CD1-CE3 3.76Å; F103-W131 HydrophobicContact CD2-CE3 4.19Å; F103-W131 HydrophobicContact CD2-CZ3 4.45Å; F103-W131 HydrophobicContact CE1-CB 4.21Å; F103-W131 HydrophobicContact CE1-CE3 4.49Å; F103-W131 AromaticContact CG-CE3 3.59Å; F103-W131 HydrophobicContact CG-CE3 3.59Å; F103-W131 AromaticContact CG-CZ3 3.99Å; F103-W131 HydrophobicContact CG-CZ3 3.99Å; F103-L134 HydrophobicContact CD2-CD1 3.97Å; F103-L134 HydrophobicContact CE2-CD1 3.72Å; F103-L134 HydrophobicContact CZ-CD1 4.2Å; F103-Y142 HydrophobicContact CB-CD1 4.16Å; F103-Y142 HydrophobicContact CB-CD2 4.49Å; F103-Y142 HydrophobicContact CB-CE1 4.23Å; F103-Y142 HydrophobicContact CB-CG 4.31Å; F103-Y142 HydrophobicContact CD2-CE2 4.03Å
104	C	91.3	Very high	90	Very high	14 Å²	14	76.5 Å²	76.5	10%	0.095	39%	0.388	C	S	.	.	H	α-helix	trans	-56.3	-39	176.7	-75.3	0	0	0	0	112.2	F100 L102 E106 F107 R108 L127	F100-C104 VanDerWaalsContact CE1-SG 3.56Å; F100-C104 WeakPolarHBondContact CE2-SG 3.39Å; F100-C104 WeakPolarHBondContact CZ-SG 3.44Å; F100-C104 WeakPolarHBondContact O-CB 3.42Å; F100-C104 PolarHBondContact O-N 2.77Å; F100-C104 PolarHBondContact O-SG 2.96Å; L102-C104 PolarHBondContact O-N 3.47Å; C104-E106 VanDerWaalsContact C-N 3.28Å; C104-E106 PolarHBondContact O-N 3.31Å; C104-F107 PolarHBondContact O-N 3.45Å; C104-R108 WeakPolarHBondContact O-CB 3.4Å; C104-R108 PolarHBondContact O-N 3.15Å; C104-L127 HydrophobicContact CB-CD1 4.05Å
105	S	90.1	Very high	90.1	Very high	75 Å²	75	70.6 Å²	70.6	52%	0.524	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-34	-179.8	77.9	0	0	0	0	112.8	F101 L102 F103 P109	F101-S105 WeakPolarHBondContact O-CB 3.2Å; F101-S105 PolarHBondContact O-N 2.78Å; L102-S105 WeakPolarHBondContact O-CB 3.33Å; L102-S105 PolarHBondContact O-N 2.93Å; L102-S105 VanDerWaalsContact O-N 3.16Å; L102-S105 PolarHBondContact O-OG 3.39Å; F103-S105 PolarHBondContact O-N 2.8Å; S105-P109 VanDerWaalsContact O-CD 3.23Å; S105-P109 WeakPolarHBondContact O-CD 3.43Å
106	E	91.1	Very high	90.2	Very high	75 Å²	75	68 Å²	68	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-81	-37.2	179.1	-67.6	-179.7	-176.2	0	0	112.4	L102 F103 C104 P109 Y142	L102-E106 PolarHBondContact O-N 2.72Å; F103-E106 PolarHBondContact O-N 2.94Å; F103-E106 VanDerWaalsContact O-N 3.08Å; C104-E106 VanDerWaalsContact C-N 3.28Å; C104-E106 PolarHBondContact O-N 3.31Å; E106-P109 WeakPolarHBondContact O-CG 3.26Å; E106-Y142 WeakPolarHBondContact OE2-CE1 3.35Å; E106-Y142 PolarHBondContact OE2-OH 3.15Å
107	F	89.5	Confident	90	Very high	53 Å²	53	70 Å²	70	23%	0.232	40%	0.398	C	S	.	.	H	α-helix	trans	-95.3	-25.9	-172.7	-77.8	-99.4	0	0	0	114.3	F103 C104 K110 I111 L127	F103-F107 AromaticContact CD2-CD2 3.45Å; F103-F107 HydrophobicContact CD2-CD2 3.45Å; F103-F107 VanDerWaalsContact CD2-CD2 3.45Å; F103-F107 AromaticContact CD2-CE2 3.51Å; F103-F107 HydrophobicContact CD2-CE2 3.51Å; F103-F107 HydrophobicContact CD2-CG 4.27Å; F103-F107 HydrophobicContact CD2-CZ 4.36Å; F103-F107 HydrophobicContact CE2-CD1 4.14Å; F103-F107 AromaticContact CE2-CD2 3.26Å; F103-F107 HydrophobicContact CE2-CD2 3.26Å; F103-F107 HydrophobicContact CE2-CE1 4.13Å; F103-F107 AromaticContact CE2-CE2 3.26Å; F103-F107 HydrophobicContact CE2-CE2 3.26Å; F103-F107 AromaticContact CE2-CG 3.73Å; F103-F107 HydrophobicContact CE2-CG 3.73Å; F103-F107 AromaticContact CE2-CZ 3.7Å; F103-F107 HydrophobicContact CE2-CZ 3.7Å; F103-F107 HydrophobicContact CG-CD2 4.19Å; F103-F107 HydrophobicContact CZ-CB 4.3Å; F103-F107 HydrophobicContact CZ-CD1 4.22Å; F103-F107 AromaticContact CZ-CD2 3.88Å; F103-F107 HydrophobicContact CZ-CD2 3.88Å; F103-F107 HydrophobicContact CZ-CE2 4.22Å; F103-F107 AromaticContact CZ-CG 3.88Å; F103-F107 HydrophobicContact CZ-CG 3.88Å; F103-F107 WeakPolarHBondContact O-CD2 3.37Å; F103-F107 PolarHBondContact O-N 3.3Å; C104-F107 PolarHBondContact O-N 3.45Å; F107-K110 HydrophobicContact CD1-CD 4.06Å; F107-K110 HydrophobicContact CE1-CD 4.38Å; F107-K110 HydrophobicContact CG-CD 4.46Å; F107-K110 WeakPolarHBondContact O-CB 3.22Å; F107-K110 PolarHBondContact O-N 3.18Å; F107-K110 VanDerWaalsContact O-N 3.09Å; F107-I111 WeakPolarHBondContact O-CG1 3.13Å; F107-I111 PolarHBondContact O-N 2.91Å; F107-L127 HydrophobicContact CB-CD2 3.42Å; F107-L127 VanDerWaalsContact CB-CD2 3.42Å
108	R	90.5	Very high	89.9	Confident	105 Å²	105	69.1 Å²	69.1	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-53	-47.1	173.4	-176.6	170.1	-171.5	-96.8	1.5	114	C104 K110 K112 V123 L127	C104-R108 WeakPolarHBondContact O-CB 3.4Å; C104-R108 PolarHBondContact O-N 3.15Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 2.81Å; R108-K112 WeakPolarHBondContact O-CB 3.46Å; R108-K112 PolarHBondContact O-N 2.7Å; R108-V123 HydrophobicContact CB-CG1 4.44Å; R108-V123 HydrophobicContact CG-CG1 3.94Å; R108-L127 HydrophobicContact CB-CD1 3.96Å
109	P	91.6	Very high	89.9	Confident	75 Å²	75	69 Å²	69	49%	0.487	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-34.1	176.6	25.3	-33.8	0	0	0	112.5	S105 E106 K112 S113	S105-P109 VanDerWaalsContact O-CD 3.23Å; S105-P109 WeakPolarHBondContact O-CD 3.43Å; E106-P109 WeakPolarHBondContact O-CG 3.26Å; P109-K112 PolarHBondContact O-N 2.9Å; P109-S113 WeakPolarHBondContact O-CB 3.24Å; P109-S113 PolarHBondContact O-N 3.44Å
110	K	91.8	Very high	89.7	Confident	112 Å²	112	74.2 Å²	74.2	49%	0.487	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-51.6	176.7	-58.9	177.9	-172.7	170.7	0	110.8	F107 R108 K112 S113 T114	F107-K110 HydrophobicContact CD1-CD 4.06Å; F107-K110 HydrophobicContact CE1-CD 4.38Å; F107-K110 HydrophobicContact CG-CD 4.46Å; F107-K110 WeakPolarHBondContact O-CB 3.22Å; F107-K110 PolarHBondContact O-N 3.18Å; F107-K110 VanDerWaalsContact O-N 3.09Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 2.81Å; K110-K112 VanDerWaalsContact C-N 3.31Å; K110-K112 PolarHBondContact O-N 3.36Å; K110-S113 WeakPolarHBondContact O-CB 3.16Å; K110-S113 PolarHBondContact O-N 3.37Å; K110-S113 VanDerWaalsContact O-N 3.12Å; K110-T114 PolarHBondContact O-N 2.91Å; K110-T114 PolarHBondContact O-OG1 3.37Å; K110-T114 VanDerWaalsContact O-OG1 3.12Å
111	I	88.8	Confident	89.6	Confident	13 Å²	13	73.3 Å²	73.3	7%	0.067	42%	0.422	C	S	.	.	H	α-helix	trans	-61.3	-41.4	179.2	-63.3	172.2	0	0	0	111.1	F107 S113 T114 N115 I118 V123 K126 L127 M130	F107-I111 WeakPolarHBondContact O-CG1 3.13Å; F107-I111 PolarHBondContact O-N 2.91Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.28Å; I111-T114 PolarHBondContact O-N 3.48Å; I111-N115 PolarHBondContact O-N 2.92Å; I111-N115 PolarHBondContact O-ND2 3.35Å; I111-I118 HydrophobicContact CG2-CD1 4.3Å; I111-V123 HydrophobicContact CB-CG1 4.27Å; I111-V123 HydrophobicContact CD1-CG1 4.33Å; I111-V123 HydrophobicContact CG2-CG1 4.14Å; I111-V123 HydrophobicContact CG2-CG2 4.06Å; I111-K126 HydrophobicContact CD1-CB 4.3Å; I111-K126 HydrophobicContact CG2-CD 4.43Å; I111-L127 HydrophobicContact CD1-CD2 3.51Å; I111-L127 HydrophobicContact CD1-CG 3.69Å; I111-M130 HydrophobicContact CD1-CE 4.33Å; I111-M130 HydrophobicContact CD1-SD 4.08Å
112	K	89.3	Confident	89.5	Confident	131 Å²	131	70.5 Å²	70.5	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-66.2	-34.2	177.8	-171	-179.4	178.1	-172.6	0	112.2	R108 P109 K110 N115 P116	R108-K112 WeakPolarHBondContact O-CB 3.46Å; R108-K112 PolarHBondContact O-N 2.7Å; P109-K112 PolarHBondContact O-N 2.9Å; K110-K112 VanDerWaalsContact C-N 3.31Å; K110-K112 PolarHBondContact O-N 3.36Å; K112-N115 CarbonylContact O-C 3.6Å; K112-N115 VanDerWaalsContact O-C 3.28Å; K112-P116 WeakPolarHBondContact O-CA 3.48Å
113	S	90	Very high	89.3	Confident	100 Å²	100	69.5 Å²	69.5	70%	0.699	41%	0.408	S	S	*	.	H	α-helix	trans	-71	-39.8	176.8	-166.4	0	0	0	0	111.9	P109 K110 I111	P109-S113 WeakPolarHBondContact O-CB 3.24Å; P109-S113 PolarHBondContact O-N 3.44Å; K110-S113 WeakPolarHBondContact O-CB 3.16Å; K110-S113 PolarHBondContact O-N 3.37Å; K110-S113 VanDerWaalsContact O-N 3.12Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.28Å
114	T	89.3	Confident	89.1	Confident	109 Å²	109	71.9 Å²	71.9	67%	0.669	43%	0.429	S	S	*	.	H	α-helix	trans	-73.3	-30.6	177.2	-48.3	0	0	0	0	112.2	K110 I111 P116	K110-T114 PolarHBondContact O-N 2.91Å; K110-T114 PolarHBondContact O-OG1 3.37Å; K110-T114 VanDerWaalsContact O-OG1 3.12Å; I111-T114 PolarHBondContact O-N 3.48Å; T114-P116 WeakPolarHBondContact O-CD 3.32Å
115	N	85.4	Confident	89.2	Confident	66 Å²	66	77.7 Å²	77.7	35%	0.353	45%	0.452	S	S	.	.	S	Bend	trans	-125.1	74.2	179.9	-59.5	-78.4	0	0	0	110.5	I111 K112 G117 I118	I111-N115 PolarHBondContact O-N 2.92Å; I111-N115 PolarHBondContact O-ND2 3.35Å; K112-N115 CarbonylContact O-C 3.6Å; K112-N115 VanDerWaalsContact O-C 3.28Å; N115-G117 PolarHBondContact O-N 3.25Å; N115-I118 HydrophobicContact CB-CB 4Å; N115-I118 HydrophobicContact CB-CD1 4.36Å; N115-I118 HydrophobicContact CB-CG2 4.13Å; N115-I118 WeakPolarHBondContact O-CB 3.33Å; N115-I118 WeakPolarHBondContact O-CG2 3.43Å; N115-I118 PolarHBondContact O-N 3.29Å
116	P	87.1	Confident	89.2	Confident	115 Å²	115	78 Å²	78	75%	0.747	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	124.7	177.7	25.5	-33.1	0	0	0	109.8	K112 T114	K112-P116 WeakPolarHBondContact O-CA 3.48Å; T114-P116 WeakPolarHBondContact O-CD 3.32Å
117	G	85.7	Confident	89.2	Confident	81 Å²	81	74.5 Å²	74.5	84%	0.835	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-2.9	-179.3	0	0	0	0	0	115.7	N115	N115-G117 PolarHBondContact O-N 3.25Å
118	I	88.3	Confident	89.3	Confident	41 Å²	41	72.9 Å²	72.9	21%	0.21	43%	0.426	C	S	.	.			trans	-58	139.8	172.3	-168.9	167.8	0	0	0	111.4	I111 N115 D122 V123 K126	I111-I118 HydrophobicContact CG2-CD1 4.3Å; N115-I118 HydrophobicContact CB-CB 4Å; N115-I118 HydrophobicContact CB-CD1 4.36Å; N115-I118 HydrophobicContact CB-CG2 4.13Å; N115-I118 WeakPolarHBondContact O-CB 3.33Å; N115-I118 WeakPolarHBondContact O-CG2 3.43Å; N115-I118 PolarHBondContact O-N 3.29Å; I118-D122 HydrophobicContact CD1-CB 4.08Å; I118-D122 HydrophobicContact CG1-CB 3.84Å; I118-V123 HydrophobicContact CB-CG2 4.17Å; I118-V123 HydrophobicContact CD1-CG2 3.93Å; I118-V123 HydrophobicContact CG1-CG2 3.91Å; I118-V123 HydrophobicContact CG2-CG2 3.26Å; I118-K126 HydrophobicContact CD1-CD 4.25Å
119	S	90.3	Very high	89.4	Confident	54 Å²	54	73.5 Å²	73.5	38%	0.378	43%	0.433	S	S	.	.			trans	-68	149.1	178.8	90.8	0	0	0	0	110.8	G121 D122 V123	S119-G121 PolarHBondContact O-N 3.47Å; S119-G121 PolarHBondContact OG-N 2.9Å; S119-D122 WeakPolarHBondContact CB-OD2 3.34Å; S119-D122 PolarHBondContact O-N 2.91Å; S119-D122 VanDerWaalsContact O-N 3.16Å; S119-D122 PolarHBondContact OG-N 3.03Å; S119-D122 PolarHBondContact OG-OD2 3.09Å; S119-V123 WeakPolarHBondContact O-CG2 3.38Å; S119-V123 PolarHBondContact O-N 2.92Å
120	I	87.3	Confident	89.4	Confident	118 Å²	118	73.9 Å²	73.9	61%	0.605	43%	0.43	S	S	*	.	H	α-helix	trans	-59.6	-33.9	177.9	-59.9	173.9	0	0	0	110.9	A124	I120-A124 PolarHBondContact O-N 3.29Å; I120-A124 VanDerWaalsContact O-N 3.07Å
121	G	88.8	Confident	89.4	Confident	42 Å²	42	70.3 Å²	70.3	43%	0.433	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-43.4	177.1	0	0	0	0	0	112.4	S119 V123 A124 K125	S119-G121 PolarHBondContact O-N 3.47Å; S119-G121 PolarHBondContact OG-N 2.9Å; G121-V123 VanDerWaalsContact C-N 3.35Å; G121-A124 WeakPolarHBondContact O-CB 3.44Å; G121-A124 PolarHBondContact O-N 3.43Å; G121-K125 PolarHBondContact O-N 3.33Å
122	D	88.2	Confident	89.6	Confident	72 Å²	72	75.3 Å²	75.3	39%	0.385	44%	0.44	S	S	.	.	H	α-helix	trans	-70.9	-32.9	179.9	-58	-41.7	0	0	0	112	I118 S119 A124 K125 K126	I118-D122 HydrophobicContact CD1-CB 4.08Å; I118-D122 HydrophobicContact CG1-CB 3.84Å; S119-D122 WeakPolarHBondContact CB-OD2 3.34Å; S119-D122 PolarHBondContact O-N 2.91Å; S119-D122 VanDerWaalsContact O-N 3.16Å; S119-D122 PolarHBondContact OG-N 3.03Å; S119-D122 PolarHBondContact OG-OD2 3.09Å; D122-A124 VanDerWaalsContact C-N 3.35Å; D122-K125 PolarHBondContact O-N 3.28Å; D122-K126 PolarHBondContact O-N 3.02Å; D122-K126 VanDerWaalsContact O-N 3.09Å
123	V	88.4	Confident	89.7	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.03	45%	0.448	C	S	.	.	H	α-helix	trans	-64	-42.3	170.9	179.5	0	0	0	0	111.1	R108 I111 I118 S119 G121 K126 L127	R108-V123 HydrophobicContact CB-CG1 4.44Å; R108-V123 HydrophobicContact CG-CG1 3.94Å; I111-V123 HydrophobicContact CB-CG1 4.27Å; I111-V123 HydrophobicContact CD1-CG1 4.33Å; I111-V123 HydrophobicContact CG2-CG1 4.14Å; I111-V123 HydrophobicContact CG2-CG2 4.06Å; I118-V123 HydrophobicContact CB-CG2 4.17Å; I118-V123 HydrophobicContact CD1-CG2 3.93Å; I118-V123 HydrophobicContact CG1-CG2 3.91Å; I118-V123 HydrophobicContact CG2-CG2 3.26Å; S119-V123 WeakPolarHBondContact O-CG2 3.38Å; S119-V123 PolarHBondContact O-N 2.92Å; G121-V123 VanDerWaalsContact C-N 3.35Å; V123-K126 PolarHBondContact O-N 3.33Å; V123-L127 HydrophobicContact CG1-CD1 3.78Å; V123-L127 HydrophobicContact CG1-CG 4.31Å; V123-L127 WeakPolarHBondContact O-CB 3.47Å; V123-L127 VanDerWaalsContact O-CG 3.27Å; V123-L127 WeakPolarHBondContact O-CG 3.41Å; V123-L127 PolarHBondContact O-N 2.81Å
124	A	89.1	Confident	89.8	Confident	54 Å²	54	72.5 Å²	72.5	45%	0.446	42%	0.423	S	S	.	.	H	α-helix	trans	-63.3	-41.6	178.6	0	0	0	0	0	111.8	I120 G121 D122 L127 G128	I120-A124 PolarHBondContact O-N 3.29Å; I120-A124 VanDerWaalsContact O-N 3.07Å; G121-A124 WeakPolarHBondContact O-CB 3.44Å; G121-A124 PolarHBondContact O-N 3.43Å; D122-A124 VanDerWaalsContact C-N 3.35Å; A124-L127 PolarHBondContact O-N 3.27Å; A124-G128 PolarHBondContact O-N 3.13Å
125	K	92.1	Very high	89.9	Confident	136 Å²	136	71.3 Å²	71.3	59%	0.591	41%	0.413	S	S	*	.	H	α-helix	trans	-59.3	-51.3	174.5	-70.9	177.6	-179.7	176.7	0	111.9	G121 D122 L127 G128 E129	G121-K125 PolarHBondContact O-N 3.33Å; D122-K125 PolarHBondContact O-N 3.28Å; K125-L127 VanDerWaalsContact C-N 3.28Å; K125-L127 PolarHBondContact O-N 2.71Å; K125-G128 PolarHBondContact O-N 3.27Å; K125-G128 VanDerWaalsContact O-N 3.1Å; K125-E129 PolarHBondContact O-N 3.35Å
126	K	90.2	Very high	90.1	Very high	80 Å²	80	73.4 Å²	73.4	35%	0.348	42%	0.424	S	S	.	.	H	α-helix	trans	-58.2	-38.9	177.2	-74.9	-173.7	176.9	-175.2	0	112.8	I111 I118 D122 V123 M130	I111-K126 HydrophobicContact CD1-CB 4.3Å; I111-K126 HydrophobicContact CG2-CD 4.43Å; I118-K126 HydrophobicContact CD1-CD 4.25Å; D122-K126 PolarHBondContact O-N 3.02Å; D122-K126 VanDerWaalsContact O-N 3.09Å; V123-K126 PolarHBondContact O-N 3.33Å; K126-M130 WeakPolarHBondContact O-CB 3.33Å; K126-M130 VanDerWaalsContact O-CG 3.22Å; K126-M130 WeakPolarHBondContact O-CG 3.45Å; K126-M130 PolarHBondContact O-N 3.49Å
127	L	91.9	Very high	90.3	Very high	3 Å²	3	72.6 Å²	72.6	2%	0.016	42%	0.421	C	S	.	.	H	α-helix	trans	-68.7	-37.2	177.4	-73.1	167.7	0	0	0	112.4	F103 C104 F107 R108 I111 V123 A124 K125 M130 W131	F103-L127 HydrophobicContact CE1-CD2 3.97Å; C104-L127 HydrophobicContact CB-CD1 4.05Å; F107-L127 HydrophobicContact CB-CD2 3.42Å; F107-L127 VanDerWaalsContact CB-CD2 3.42Å; R108-L127 HydrophobicContact CB-CD1 3.96Å; I111-L127 HydrophobicContact CD1-CD2 3.51Å; I111-L127 HydrophobicContact CD1-CG 3.69Å; V123-L127 HydrophobicContact CG1-CD1 3.78Å; V123-L127 HydrophobicContact CG1-CG 4.31Å; V123-L127 WeakPolarHBondContact O-CB 3.47Å; V123-L127 VanDerWaalsContact O-CG 3.27Å; V123-L127 WeakPolarHBondContact O-CG 3.41Å; V123-L127 PolarHBondContact O-N 2.81Å; A124-L127 PolarHBondContact O-N 3.27Å; K125-L127 VanDerWaalsContact C-N 3.28Å; K125-L127 PolarHBondContact O-N 2.71Å; L127-M130 PolarHBondContact O-N 3Å; L127-W131 WeakPolarHBondContact O-CB 3.24Å; L127-W131 PolarHBondContact O-N 2.82Å
128	G	91.4	Very high	90.4	Very high	19 Å²	19	73.1 Å²	73.1	20%	0.196	40%	0.402	C	S	.	.	H	α-helix	trans	-62.3	-49	173.9	0	0	0	0	0	111.8	A124 K125 M130 W131 N132	A124-G128 PolarHBondContact O-N 3.13Å; K125-G128 PolarHBondContact O-N 3.27Å; K125-G128 VanDerWaalsContact O-N 3.1Å; G128-M130 VanDerWaalsContact C-N 3.35Å; G128-M130 PolarHBondContact O-N 2.7Å; G128-W131 PolarHBondContact O-N 3.23Å; G128-N132 PolarHBondContact O-N 2.83Å
129	E	92.9	Very high	90.6	Very high	118 Å²	118	72.9 Å²	72.9	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-58.6	-45.5	175.4	-69.3	166.8	-168.7	0	0	111.8	K125 W131 N132 N133	K125-E129 PolarHBondContact O-N 3.35Å; E129-W131 VanDerWaalsContact C-N 3.35Å; E129-W131 PolarHBondContact O-N 3.44Å; E129-N132 PolarHBondContact O-N 2.95Å; E129-N133 WeakPolarHBondContact O-CB 3.39Å; E129-N133 VanDerWaalsContact O-CG 3.26Å; E129-N133 PolarHBondContact O-N 2.65Å; E129-N133 VanDerWaalsContact O-N 3.12Å; E129-N133 PolarHBondContact O-ND2 2.95Å
130	M	90.9	Very high	90.7	Very high	83 Å²	83	74.9 Å²	74.9	41%	0.409	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-43.7	176.7	-75	175.9	-178.5	0	0	111.9	F103 I111 K126 L127 G128 N133 L134	F103-M130 HydrophobicContact CE1-CB 4.15Å; F103-M130 HydrophobicContact CZ-CB 3.93Å; I111-M130 HydrophobicContact CD1-CE 4.33Å; I111-M130 HydrophobicContact CD1-SD 4.08Å; K126-M130 WeakPolarHBondContact O-CB 3.33Å; K126-M130 VanDerWaalsContact O-CG 3.22Å; K126-M130 WeakPolarHBondContact O-CG 3.45Å; K126-M130 PolarHBondContact O-N 3.49Å; L127-M130 PolarHBondContact O-N 3Å; G128-M130 VanDerWaalsContact C-N 3.35Å; G128-M130 PolarHBondContact O-N 2.7Å; M130-N133 PolarHBondContact O-N 2.98Å; M130-L134 WeakPolarHBondContact O-CG 3.4Å; M130-L134 PolarHBondContact O-N 2.92Å; M130-L134 VanDerWaalsContact O-N 3.16Å
131	W	92.3	Very high	91	Very high	36 Å²	36	72 Å²	72	14%	0.136	39%	0.391	C	S	.	.	H	α-helix	trans	-63.4	-43.7	179.5	178	-98.8	0	0	0	112.4	F100 F103 L127 G128 E129 N133 L134 K139 Y142	F100-W131 HydrophobicContact CB-CD2 4.29Å; F100-W131 HydrophobicContact CB-CZ2 4.4Å; F100-W131 HydrophobicContact CD2-CB 3.61Å; F100-W131 AromaticContact CD2-CD1 3.81Å; F100-W131 AromaticContact CD2-CD2 3.73Å; F100-W131 HydrophobicContact CD2-CD2 3.73Å; F100-W131 HydrophobicContact CD2-CE3 4.28Å; F100-W131 AromaticContact CD2-CG 3.41Å; F100-W131 HydrophobicContact CD2-CG 3.41Å; F100-W131 VanDerWaalsContact CD2-CG 3.41Å; F100-W131 HydrophobicContact CE2-CB 3.65Å; F100-W131 AromaticContact CE2-CG 3.97Å; F100-W131 HydrophobicContact CE2-CG 3.97Å; F100-W131 HydrophobicContact CG-CG 4.43Å; F103-W131 HydrophobicContact CB-CE3 3.63Å; F103-W131 HydrophobicContact CB-CZ3 3.6Å; F103-W131 HydrophobicContact CD1-CB 4.27Å; F103-W131 AromaticContact CD1-CE3 3.76Å; F103-W131 HydrophobicContact CD1-CE3 3.76Å; F103-W131 HydrophobicContact CD2-CE3 4.19Å; F103-W131 HydrophobicContact CD2-CZ3 4.45Å; F103-W131 HydrophobicContact CE1-CB 4.21Å; F103-W131 HydrophobicContact CE1-CE3 4.49Å; F103-W131 AromaticContact CG-CE3 3.59Å; F103-W131 HydrophobicContact CG-CE3 3.59Å; F103-W131 AromaticContact CG-CZ3 3.99Å; F103-W131 HydrophobicContact CG-CZ3 3.99Å; L127-W131 WeakPolarHBondContact O-CB 3.24Å; L127-W131 PolarHBondContact O-N 2.82Å; G128-W131 PolarHBondContact O-N 3.23Å; E129-W131 VanDerWaalsContact C-N 3.35Å; E129-W131 PolarHBondContact O-N 3.44Å; W131-N133 VanDerWaalsContact C-N 3.26Å; W131-N133 PolarHBondContact O-N 3.35Å; W131-L134 HydrophobicContact CE3-CD1 3.86Å; W131-L134 HydrophobicContact CZ3-CD1 4.24Å; W131-L134 WeakPolarHBondContact O-CB 3.44Å; W131-L134 PolarHBondContact O-N 3.33Å; W131-K139 HydrophobicContact CH2-CB 4.03Å; W131-K139 HydrophobicContact CH2-CG 3.98Å; W131-K139 HydrophobicContact CZ2-CB 4.28Å; W131-K139 HydrophobicContact CZ2-CD 4.36Å; W131-K139 HydrophobicContact CZ2-CG 4.02Å; W131-K139 HydrophobicContact CZ3-CG 4.23Å; W131-K139 WeakPolarHBondContact O-CE 3.36Å; W131-Y142 HydrophobicContact CH2-CG 4.47Å; W131-Y142 AromaticContact CZ3-CD2 3.94Å; W131-Y142 HydrophobicContact CZ3-CD2 3.94Å; W131-Y142 HydrophobicContact CZ3-CG 4.1Å
132	N	92.3	Very high	91.2	Very high	118 Å²	118	71.4 Å²	71.4	63%	0.631	38%	0.376	S	S	*	.	H	α-helix	trans	-64	-34.9	178.5	-70.1	-5.2	0	0	0	111.7	G128 E129 L134	G128-N132 PolarHBondContact O-N 2.83Å; E129-N132 PolarHBondContact O-N 2.95Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 2.89Å
133	N	92.8	Very high	91.3	Very high	140 Å²	140	71.7 Å²	71.7	75%	0.749	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-8	177.5	-67.8	-24.4	0	0	0	114.5	E129 M130 W131	E129-N133 WeakPolarHBondContact O-CB 3.39Å; E129-N133 VanDerWaalsContact O-CG 3.26Å; E129-N133 PolarHBondContact O-N 2.65Å; E129-N133 VanDerWaalsContact O-N 3.12Å; E129-N133 PolarHBondContact O-ND2 2.95Å; M130-N133 PolarHBondContact O-N 2.98Å; W131-N133 VanDerWaalsContact C-N 3.26Å; W131-N133 PolarHBondContact O-N 3.35Å
134	L	90.6	Very high	91.5	Very high	33 Å²	33	74.2 Å²	74.2	17%	0.173	39%	0.393	C	S	.	.	S	Bend	trans	-71.1	141.8	173.4	-69.4	179.3	0	0	0	109.8	F103 M130 W131 N132 E138 K139	F103-L134 HydrophobicContact CD2-CD1 3.97Å; F103-L134 HydrophobicContact CE2-CD1 3.72Å; F103-L134 HydrophobicContact CZ-CD1 4.2Å; M130-L134 WeakPolarHBondContact O-CG 3.4Å; M130-L134 PolarHBondContact O-N 2.92Å; M130-L134 VanDerWaalsContact O-N 3.16Å; W131-L134 HydrophobicContact CE3-CD1 3.86Å; W131-L134 HydrophobicContact CZ3-CD1 4.24Å; W131-L134 WeakPolarHBondContact O-CB 3.44Å; W131-L134 PolarHBondContact O-N 3.33Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 2.89Å; L134-E138 HydrophobicContact CB-CB 4.19Å; L134-E138 HydrophobicContact CD2-CB 4.13Å; L134-E138 WeakPolarHBondContact CD2-OE2 3.32Å; L134-E138 HydrophobicContact CG-CB 4.5Å; L134-K139 HydrophobicContact CB-CD 4.45Å; L134-K139 HydrophobicContact CB-CG 3.82Å; L134-K139 HydrophobicContact CD1-CG 4.41Å; L134-K139 WeakPolarHBondContact O-CE 3.42Å; L134-K139 PolarHBondContact O-NZ 3.36Å; L134-K139 VanDerWaalsContact O-NZ 3.14Å
135	N	91.8	Very high	91.6	Very high	84 Å²	84	76.5 Å²	76.5	45%	0.449	39%	0.393	S	S	.	.			trans	-73.9	165	169.3	64.1	56.2	0	0	0	111	S137 E138 K139	N135-S137 VanDerWaalsContact C-N 3.26Å; N135-S137 PolarHBondContact O-N 3.45Å; N135-S137 WeakPolarHBondContact OD1-CA 3.37Å; N135-S137 VanDerWaalsContact OD1-CB 3.26Å; N135-S137 WeakPolarHBondContact OD1-CB 3.49Å; N135-S137 PolarHBondContact OD1-N 2.89Å; N135-S137 VanDerWaalsContact OD1-N 3.08Å; N135-E138 PolarHBondContact N-OE2 2.87Å; N135-E138 PolarHBondContact ND2-OE2 3.15Å; N135-E138 PolarHBondContact O-N 2.88Å; N135-E138 VanDerWaalsContact O-N 3.1Å; N135-E138 VanDerWaalsContact OD1-CG 3.32Å; N135-E138 WeakPolarHBondContact OD1-CG 3.43Å; N135-E138 PolarHBondContact OD1-N 3.13Å; N135-K139 WeakPolarHBondContact O-CG 3.42Å; N135-K139 PolarHBondContact O-N 3.02Å
136	D	89.4	Confident	91.6	Very high	110 Å²	110	70.6 Å²	70.6	59%	0.588	37%	0.369	S	S	*	.	H	α-helix	trans	-62.2	-36.5	-178.1	-61.6	-31.1	0	0	0	112.1	E138 K139 Q140	D136-E138 PolarHBondContact O-N 3.44Å; D136-K139 CarbonylContact O-C 3.6Å; D136-K139 PolarHBondContact O-N 3.37Å; D136-K139 VanDerWaalsContact O-N 3.09Å; D136-Q140 VanDerWaalsContact O-CB 3.3Å; D136-Q140 WeakPolarHBondContact O-CB 3.45Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.86Å
137	S	90.8	Very high	91.7	Very high	97 Å²	97	69.4 Å²	69.4	68%	0.678	37%	0.374	S	S	*	.	H	α-helix	trans	-58.9	-36.1	177	-159.5	0	0	0	0	112.7	N135 P141	N135-S137 VanDerWaalsContact C-N 3.26Å; N135-S137 PolarHBondContact O-N 3.45Å; N135-S137 WeakPolarHBondContact OD1-CA 3.37Å; N135-S137 VanDerWaalsContact OD1-CB 3.26Å; N135-S137 WeakPolarHBondContact OD1-CB 3.49Å; N135-S137 PolarHBondContact OD1-N 2.89Å; N135-S137 VanDerWaalsContact OD1-N 3.08Å; S137-P141 WeakPolarHBondContact O-CD 3.48Å
138	E	89.1	Confident	91.7	Very high	93 Å²	93	75.9 Å²	75.9	44%	0.435	40%	0.402	S	S	.	.	H	α-helix	trans	-78	-32.9	176.5	-70	176.4	128.5	0	0	112.4	L134 N135 D136 P141 Y142	L134-E138 HydrophobicContact CB-CB 4.19Å; L134-E138 HydrophobicContact CD2-CB 4.13Å; L134-E138 WeakPolarHBondContact CD2-OE2 3.32Å; L134-E138 HydrophobicContact CG-CB 4.5Å; N135-E138 PolarHBondContact N-OE2 2.87Å; N135-E138 PolarHBondContact ND2-OE2 3.15Å; N135-E138 PolarHBondContact O-N 2.88Å; N135-E138 VanDerWaalsContact O-N 3.1Å; N135-E138 VanDerWaalsContact OD1-CG 3.32Å; N135-E138 WeakPolarHBondContact OD1-CG 3.43Å; N135-E138 PolarHBondContact OD1-N 3.13Å; D136-E138 PolarHBondContact O-N 3.44Å; E138-P141 WeakPolarHBondContact O-CD 3.35Å; E138-P141 VanDerWaalsContact O-CG 3.31Å; E138-P141 WeakPolarHBondContact O-CG 3.46Å; E138-Y142 VanDerWaalsContact O-CD2 3.24Å; E138-Y142 WeakPolarHBondContact O-CD2 3.22Å; E138-Y142 WeakPolarHBondContact O-CE2 3.44Å
139	K	91.3	Very high	91.7	Very high	36 Å²	36	78.2 Å²	78.2	16%	0.157	41%	0.41	C	S	.	.	H	α-helix	trans	-74.7	-36.8	174.7	-68.2	172.5	178.5	161.2	0	112.4	W131 L134 N135 D136 Y142 I143	W131-K139 HydrophobicContact CH2-CB 4.03Å; W131-K139 HydrophobicContact CH2-CG 3.98Å; W131-K139 HydrophobicContact CZ2-CB 4.28Å; W131-K139 HydrophobicContact CZ2-CD 4.36Å; W131-K139 HydrophobicContact CZ2-CG 4.02Å; W131-K139 HydrophobicContact CZ3-CG 4.23Å; W131-K139 WeakPolarHBondContact O-CE 3.36Å; L134-K139 HydrophobicContact CB-CD 4.45Å; L134-K139 HydrophobicContact CB-CG 3.82Å; L134-K139 HydrophobicContact CD1-CG 4.41Å; L134-K139 WeakPolarHBondContact O-CE 3.42Å; L134-K139 PolarHBondContact O-NZ 3.36Å; L134-K139 VanDerWaalsContact O-NZ 3.14Å; N135-K139 WeakPolarHBondContact O-CG 3.42Å; N135-K139 PolarHBondContact O-N 3.02Å; D136-K139 CarbonylContact O-C 3.6Å; D136-K139 PolarHBondContact O-N 3.37Å; D136-K139 VanDerWaalsContact O-N 3.09Å; K139-Y142 WeakPolarHBondContact O-CA 3.42Å; K139-Y142 WeakPolarHBondContact O-CB 3.23Å; K139-Y142 PolarHBondContact O-N 3.44Å; K139-I143 HydrophobicContact CB-CD1 3.96Å; K139-I143 WeakPolarHBondContact O-CG1 3.4Å; K139-I143 PolarHBondContact O-N 3.12Å
140	Q	92.9	Very high	91.5	Very high	96 Å²	96	77.6 Å²	77.6	45%	0.449	41%	0.405	S	S	.	.	H	α-helix	trans	-47.3	-47.7	-177.1	-86.3	-49.9	-48.6	0	0	114.5	D136 Y142 I143 T144	D136-Q140 VanDerWaalsContact O-CB 3.3Å; D136-Q140 WeakPolarHBondContact O-CB 3.45Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.86Å; Q140-Y142 VanDerWaalsContact C-N 3.27Å; Q140-Y142 PolarHBondContact O-N 3.23Å; Q140-I143 PolarHBondContact O-N 3.37Å; Q140-T144 VanDerWaalsContact O-CB 3.27Å; Q140-T144 WeakPolarHBondContact O-CB 3.45Å; Q140-T144 PolarHBondContact O-N 2.84Å; Q140-T144 PolarHBondContact O-OG1 3.4Å
141	P	93.8	Very high	91.5	Very high	57 Å²	57	78.4 Å²	78.4	37%	0.37	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-33.2	177.3	23.8	-35.2	0	0	0	112.6	S137 E138 K145	S137-P141 WeakPolarHBondContact O-CD 3.48Å; E138-P141 WeakPolarHBondContact O-CD 3.35Å; E138-P141 VanDerWaalsContact O-CG 3.31Å; E138-P141 WeakPolarHBondContact O-CG 3.46Å; P141-K145 VanDerWaalsContact O-CB 3.29Å; P141-K145 WeakPolarHBondContact O-CB 3.41Å; P141-K145 WeakPolarHBondContact O-CD 3.17Å; P141-K145 WeakPolarHBondContact O-CG 3.41Å; P141-K145 PolarHBondContact O-N 2.72Å
142	Y	92.5	Very high	91.3	Very high	29 Å²	29	83 Å²	83	11%	0.114	43%	0.429	C	S	.	.	H	α-helix	trans	-74.6	-41.6	177.1	-62.9	-73.4	0	0	0	111.7	G99 L102 F103 E106 W131 E138 K139 Q140 K145 A146	G99-Y142 WeakPolarHBondContact CA-O 3.43Å; L102-Y142 HydrophobicContact CB-CD1 4.08Å; F103-Y142 HydrophobicContact CB-CD1 4.16Å; F103-Y142 HydrophobicContact CB-CD2 4.49Å; F103-Y142 HydrophobicContact CB-CE1 4.23Å; F103-Y142 HydrophobicContact CB-CG 4.31Å; F103-Y142 HydrophobicContact CD2-CE2 4.03Å; E106-Y142 WeakPolarHBondContact OE2-CE1 3.35Å; E106-Y142 PolarHBondContact OE2-OH 3.15Å; W131-Y142 HydrophobicContact CH2-CG 4.47Å; W131-Y142 AromaticContact CZ3-CD2 3.94Å; W131-Y142 HydrophobicContact CZ3-CD2 3.94Å; W131-Y142 HydrophobicContact CZ3-CG 4.1Å; E138-Y142 VanDerWaalsContact O-CD2 3.24Å; E138-Y142 WeakPolarHBondContact O-CD2 3.22Å; E138-Y142 WeakPolarHBondContact O-CE2 3.44Å; K139-Y142 WeakPolarHBondContact O-CA 3.42Å; K139-Y142 WeakPolarHBondContact O-CB 3.23Å; K139-Y142 PolarHBondContact O-N 3.44Å; Q140-Y142 VanDerWaalsContact C-N 3.27Å; Q140-Y142 PolarHBondContact O-N 3.23Å; Y142-K145 PolarHBondContact O-N 2.93Å; Y142-A146 WeakPolarHBondContact O-CB 3.29Å; Y142-A146 PolarHBondContact O-N 3.32Å
143	I	91.1	Very high	91.2	Very high	78 Å²	78	80 Å²	80	40%	0.4	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-49.5	174.6	-64.1	169.6	0	0	0	109.8	K139 Q140 K145 A146 A147	K139-I143 HydrophobicContact CB-CD1 3.96Å; K139-I143 WeakPolarHBondContact O-CG1 3.4Å; K139-I143 PolarHBondContact O-N 3.12Å; Q140-I143 PolarHBondContact O-N 3.37Å; I143-K145 PolarHBondContact O-N 3.16Å; I143-A146 WeakPolarHBondContact O-CB 3.25Å; I143-A146 PolarHBondContact O-N 3.03Å; I143-A146 VanDerWaalsContact O-N 3.13Å; I143-A147 WeakPolarHBondContact O-CB 3.47Å; I143-A147 PolarHBondContact O-N 2.97Å
144	T	92.9	Very high	91	Very high	59 Å²	59	78.3 Å²	78.3	36%	0.362	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-42.8	178.4	-61.9	0	0	0	0	112.1	Q140 A146 A147 K148	Q140-T144 VanDerWaalsContact O-CB 3.27Å; Q140-T144 WeakPolarHBondContact O-CB 3.45Å; Q140-T144 PolarHBondContact O-N 2.84Å; Q140-T144 PolarHBondContact O-OG1 3.4Å; T144-A146 VanDerWaalsContact C-N 3.35Å; T144-A147 PolarHBondContact O-N 2.99Å; T144-K148 HydrophobicContact CG2-CD 4.47Å; T144-K148 WeakPolarHBondContact O-CG 3.48Å; T144-K148 PolarHBondContact O-N 3.48Å
145	K	91.6	Very high	90.9	Very high	102 Å²	102	82.4 Å²	82.4	44%	0.443	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-43	174.9	-78.4	170.5	-176	173.8	0	111.2	L102 P141 Y142 I143 K148 L149	L102-K145 HydrophobicContact CD1-CB 3.79Å; P141-K145 VanDerWaalsContact O-CB 3.29Å; P141-K145 WeakPolarHBondContact O-CB 3.41Å; P141-K145 WeakPolarHBondContact O-CD 3.17Å; P141-K145 WeakPolarHBondContact O-CG 3.41Å; P141-K145 PolarHBondContact O-N 2.72Å; Y142-K145 PolarHBondContact O-N 2.93Å; I143-K145 PolarHBondContact O-N 3.16Å; K145-K148 PolarHBondContact O-N 3.18Å; K145-L149 WeakPolarHBondContact O-CG 3.37Å; K145-L149 PolarHBondContact O-N 3.4Å; K145-L149 VanDerWaalsContact O-N 3.13Å
146	A	91.6	Very high	90.6	Very high	12 Å²	12	81.8 Å²	81.8	10%	0.099	41%	0.41	C	S	.	.	H	α-helix	trans	-65.4	-41.8	177.4	0	0	0	0	0	112.1	G99 L102 Y142 I143 T144 K148 L149 K150	G99-A146 VanDerWaalsContact N-CB 3.32Å; L102-A146 HydrophobicContact CD1-CB 4.1Å; Y142-A146 WeakPolarHBondContact O-CB 3.29Å; Y142-A146 PolarHBondContact O-N 3.32Å; I143-A146 WeakPolarHBondContact O-CB 3.25Å; I143-A146 PolarHBondContact O-N 3.03Å; I143-A146 VanDerWaalsContact O-N 3.13Å; T144-A146 VanDerWaalsContact C-N 3.35Å; A146-K148 PolarHBondContact O-N 3.49Å; A146-L149 CarbonylContact O-C 3.28Å; A146-L149 PolarHBondContact O-N 2.85Å; A146-L149 VanDerWaalsContact O-N 3.16Å; A146-K150 WeakPolarHBondContact O-CB 3.49Å; A146-K150 PolarHBondContact O-N 3.34Å
147	A	91.3	Very high	90.4	Very high	54 Å²	54	78.8 Å²	78.8	45%	0.446	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-45.6	176.2	0	0	0	0	0	111.8	I143 T144 L149 K150 E151	I143-A147 WeakPolarHBondContact O-CB 3.47Å; I143-A147 PolarHBondContact O-N 2.97Å; T144-A147 PolarHBondContact O-N 2.99Å; A147-L149 VanDerWaalsContact C-N 3.31Å; A147-L149 PolarHBondContact O-N 3.29Å; A147-K150 WeakPolarHBondContact O-CB 3.47Å; A147-K150 PolarHBondContact O-N 2.92Å; A147-K150 VanDerWaalsContact O-N 3.15Å; A147-E151 PolarHBondContact O-N 3.23Å
148	K	93.1	Very high	90.2	Very high	140 Å²	140	76.8 Å²	76.8	61%	0.609	38%	0.384	S	S	*	.	H	α-helix	trans	-60.8	-38.8	174.7	-72.4	176.4	-179.3	176	0	112.6	T144 K145 A146 K152	T144-K148 HydrophobicContact CG2-CD 4.47Å; T144-K148 WeakPolarHBondContact O-CG 3.48Å; T144-K148 PolarHBondContact O-N 3.48Å; K145-K148 PolarHBondContact O-N 3.18Å; A146-K148 PolarHBondContact O-N 3.49Å; K148-K152 PolarHBondContact O-N 2.91Å
149	L	90	Very high	89.9	Confident	68 Å²	68	76 Å²	76	36%	0.356	38%	0.384	S	S	.	.	H	α-helix	trans	-70.3	-35.8	175.8	-68.5	173.1	0	0	0	112	P96 P97 L102 K145 A146 A147 K152 Y153	P96-L149 HydrophobicContact CB-CB 3.65Å; P96-L149 HydrophobicContact CG-CB 4.4Å; P97-L149 HydrophobicContact CG-CD1 4.19Å; L102-L149 HydrophobicContact CD1-CD1 4.35Å; L102-L149 HydrophobicContact CD2-CD1 4.35Å; K145-L149 WeakPolarHBondContact O-CG 3.37Å; K145-L149 PolarHBondContact O-N 3.4Å; K145-L149 VanDerWaalsContact O-N 3.13Å; A146-L149 CarbonylContact O-C 3.28Å; A146-L149 PolarHBondContact O-N 2.85Å; A146-L149 VanDerWaalsContact O-N 3.16Å; A147-L149 VanDerWaalsContact C-N 3.31Å; A147-L149 PolarHBondContact O-N 3.29Å; L149-K152 PolarHBondContact O-N 3.32Å; L149-Y153 WeakPolarHBondContact O-CB 3.37Å; L149-Y153 PolarHBondContact O-N 2.93Å
150	K	89.1	Confident	89.5	Confident	105 Å²	105	79 Å²	79	46%	0.457	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-49.1	173.2	-173	-179.3	176.7	-177.6	0	110.6	P96 A146 A147 K152 Y153 E154	P96-K150 HydrophobicContact CG-CB 4.49Å; A146-K150 WeakPolarHBondContact O-CB 3.49Å; A146-K150 PolarHBondContact O-N 3.34Å; A147-K150 WeakPolarHBondContact O-CB 3.47Å; A147-K150 PolarHBondContact O-N 2.92Å; A147-K150 VanDerWaalsContact O-N 3.15Å; K150-K152 VanDerWaalsContact C-N 3.33Å; K150-K152 PolarHBondContact O-N 3.36Å; K150-Y153 WeakPolarHBondContact O-CB 3.34Å; K150-Y153 PolarHBondContact O-N 2.99Å; K150-Y153 VanDerWaalsContact O-N 3.12Å; K150-E154 WeakPolarHBondContact CE-OE1 3.43Å; K150-E154 WeakPolarHBondContact O-CG 3.26Å; K150-E154 PolarHBondContact O-N 3.42Å
151	E	90.7	Very high	88.8	Confident	100 Å²	100	81.9 Å²	81.9	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-43.2	177.9	-166.7	-161.7	150.9	0	0	111.9	A147 E154 K155	A147-E151 PolarHBondContact O-N 3.23Å; E151-E154 PolarHBondContact O-N 2.85Å; E151-K155 WeakPolarHBondContact O-CG 3.3Å; E151-K155 PolarHBondContact O-N 2.88Å; E151-K155 VanDerWaalsContact O-N 3.13Å; E151-K155 WeakPolarHBondContact OE1-CE 3.42Å; E151-K155 IonicContact OE1-NZ 2.8Å; E151-K155 PolarHBondContact OE1-NZ 3.29Å
152	K	89.7	Confident	88	Confident	131 Å²	131	83.4 Å²	83.4	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-62.3	-45.1	175.3	-175.5	176.6	177.4	177.1	0	111.8	K148 L149 K150 E154 K155 D156	K148-K152 PolarHBondContact O-N 2.91Å; L149-K152 PolarHBondContact O-N 3.32Å; K150-K152 VanDerWaalsContact C-N 3.33Å; K150-K152 PolarHBondContact O-N 3.36Å; K152-E154 VanDerWaalsContact C-N 3.31Å; K152-E154 PolarHBondContact O-N 3.48Å; K152-K155 PolarHBondContact O-N 2.95Å; K152-D156 PolarHBondContact O-N 3.47Å
153	Y	89.3	Confident	86.9	Confident	57 Å²	57	90.1 Å²	90.1	22%	0.224	45%	0.447	C	S	.	.	H	α-helix	trans	-61.9	-39.2	177.4	170.3	-99.9	0	0	0	112.2	P93 K94 R95 P96 L149 K150 K155 D156 V157	P93-Y153 HydrophobicContact CB-CD2 3.84Å; P93-Y153 HydrophobicContact CB-CE2 3.61Å; P93-Y153 WeakPolarHBondContact O-CE2 3.29Å; K94-Y153 WeakPolarHBondContact O-CD2 2.79Å; K94-Y153 VanDerWaalsContact O-CE2 3.29Å; K94-Y153 WeakPolarHBondContact O-CE2 3.47Å; R95-Y153 HydrophobicContact CG-CE1 4.49Å; R95-Y153 HydrophobicContact CG-CE2 4.42Å; P96-Y153 HydrophobicContact CG-CG 4.3Å; L149-Y153 WeakPolarHBondContact O-CB 3.37Å; L149-Y153 PolarHBondContact O-N 2.93Å; K150-Y153 WeakPolarHBondContact O-CB 3.34Å; K150-Y153 PolarHBondContact O-N 2.99Å; K150-Y153 VanDerWaalsContact O-N 3.12Å; Y153-K155 VanDerWaalsContact C-N 3.33Å; Y153-K155 PolarHBondContact O-N 2.78Å; Y153-D156 PolarHBondContact O-N 2.96Å; Y153-V157 HydrophobicContact CD1-CG2 4.09Å; Y153-V157 HydrophobicContact CD2-CG2 4.1Å; Y153-V157 HydrophobicContact CE1-CG2 3.63Å; Y153-V157 HydrophobicContact CE2-CG2 3.66Å; Y153-V157 HydrophobicContact CG-CG2 4.3Å; Y153-V157 WeakPolarHBondContact O-CB 3.39Å; Y153-V157 VanDerWaalsContact O-CG2 3.24Å; Y153-V157 WeakPolarHBondContact O-CG2 3.42Å; Y153-V157 PolarHBondContact O-N 2.98Å
154	E	88.3	Confident	85.1	Confident	104 Å²	104	88.6 Å²	88.6	49%	0.486	45%	0.451	S	S	.	.	H	α-helix	trans	-63.4	-39.9	176.9	-74.1	173.8	178.2	0	0	111.9	K150 E151 K152 V157 A158	K150-E154 WeakPolarHBondContact CE-OE1 3.43Å; K150-E154 WeakPolarHBondContact O-CG 3.26Å; K150-E154 PolarHBondContact O-N 3.42Å; E151-E154 PolarHBondContact O-N 2.85Å; K152-E154 VanDerWaalsContact C-N 3.31Å; K152-E154 PolarHBondContact O-N 3.48Å; E154-V157 PolarHBondContact O-N 3.45Å; E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.35Å
155	K	88.8	Confident	82.9	Confident	118 Å²	118	95.7 Å²	95.7	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-48.2	171.3	-68.5	174	-172.7	166.1	0	111.5	E151 K152 Y153 V157 A158 D159	E151-K155 WeakPolarHBondContact O-CG 3.3Å; E151-K155 PolarHBondContact O-N 2.88Å; E151-K155 VanDerWaalsContact O-N 3.13Å; E151-K155 WeakPolarHBondContact OE1-CE 3.42Å; E151-K155 IonicContact OE1-NZ 2.8Å; E151-K155 PolarHBondContact OE1-NZ 3.29Å; K152-K155 PolarHBondContact O-N 2.95Å; Y153-K155 VanDerWaalsContact C-N 3.33Å; Y153-K155 PolarHBondContact O-N 2.78Å; K155-V157 VanDerWaalsContact C-N 3.28Å; K155-V157 PolarHBondContact O-N 2.88Å; K155-A158 WeakPolarHBondContact O-CB 3.36Å; K155-A158 PolarHBondContact O-N 3.04Å; K155-A158 VanDerWaalsContact O-N 3.13Å; K155-D159 PolarHBondContact O-N 3.37Å
156	D	84.9	Confident	80.5	Confident	71 Å²	71	100 Å²	100	38%	0.38	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-37.5	178.1	-68.8	-18.1	0	0	0	111.9	P93 K152 Y153 Y160	P93-D156 HydrophobicContact CB-CB 4.13Å; P93-D156 HydrophobicContact CG-CB 4.05Å; K152-D156 PolarHBondContact O-N 3.47Å; Y153-D156 PolarHBondContact O-N 2.96Å; D156-Y160 VanDerWaalsContact O-CB 3.23Å; D156-Y160 WeakPolarHBondContact O-CB 3.49Å; D156-Y160 PolarHBondContact O-N 3.27Å
157	V	85.4	Confident	78.1	Confident	47 Å²	47	106.4 Å²	106.4	29%	0.285	53%	0.528	S	S	.	.	H	α-helix	trans	-69.4	-40.8	174.9	168.9	0	0	0	0	111.4	P93 Y153 E154 K155 D159 Y160 K161	P93-V157 HydrophobicContact CB-CG2 3.91Å; P93-V157 HydrophobicContact CG-CG2 4.01Å; Y153-V157 HydrophobicContact CD1-CG2 4.09Å; Y153-V157 HydrophobicContact CD2-CG2 4.1Å; Y153-V157 HydrophobicContact CE1-CG2 3.63Å; Y153-V157 HydrophobicContact CE2-CG2 3.66Å; Y153-V157 HydrophobicContact CG-CG2 4.3Å; Y153-V157 WeakPolarHBondContact O-CB 3.39Å; Y153-V157 VanDerWaalsContact O-CG2 3.24Å; Y153-V157 WeakPolarHBondContact O-CG2 3.42Å; Y153-V157 PolarHBondContact O-N 2.98Å; E154-V157 PolarHBondContact O-N 3.45Å; K155-V157 VanDerWaalsContact C-N 3.28Å; K155-V157 PolarHBondContact O-N 2.88Å; V157-D159 VanDerWaalsContact C-N 3.34Å; V157-Y160 PolarHBondContact O-N 3.03Å; V157-K161 WeakPolarHBondContact O-CB 3.49Å; V157-K161 PolarHBondContact O-N 2.91Å
158	A	86.1	Confident	75.5	Confident	55 Å²	55	107 Å²	107	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-43.2	175.7	0	0	0	0	0	111.1	E154 K155 K161 S162	E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.35Å; K155-A158 WeakPolarHBondContact O-CB 3.36Å; K155-A158 PolarHBondContact O-N 3.04Å; K155-A158 VanDerWaalsContact O-N 3.13Å; A158-K161 PolarHBondContact O-N 3.01Å; A158-S162 WeakPolarHBondContact O-CB 3.36Å; A158-S162 PolarHBondContact O-N 3.37Å; A158-S162 PolarHBondContact O-OG 3.02Å
159	D	83.8	Confident	72.5	Confident	78 Å²	78	104.9 Å²	104.9	42%	0.417	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-42.4	175.4	-80.5	-13.9	0	0	0	112.8	K155 V157 K161 S162 K163	K155-D159 PolarHBondContact O-N 3.37Å; V157-D159 VanDerWaalsContact C-N 3.34Å; D159-K161 VanDerWaalsContact C-N 3.29Å; D159-K161 PolarHBondContact O-N 3.37Å; D159-S162 WeakPolarHBondContact CA-OG 3.5Å; D159-S162 PolarHBondContact O-N 2.85Å; D159-S162 PolarHBondContact O-OG 3.42Å; D159-K163 VanDerWaalsContact O-CB 3.29Å; D159-K163 WeakPolarHBondContact O-CB 3.5Å; D159-K163 VanDerWaalsContact O-CG 3.3Å; D159-K163 WeakPolarHBondContact O-CG 3.3Å; D159-K163 PolarHBondContact O-N 3.41Å
160	Y	82.2	Confident	70.3	Confident	99 Å²	99	112.1 Å²	112.1	39%	0.388	58%	0.577	S	S	.	*	H	α-helix	trans	-62	-40.2	174.7	174.5	-95.2	0	0	0	111.2	D89 N91 P93 D156 V157 G164	D89-Y160 PolarHBondContact OD2-OH 3.42Å; N91-Y160 HydrophobicContact CB-CE2 4.23Å; N91-Y160 WeakPolarHBondContact O-CD2 3.38Å; N91-Y160 WeakPolarHBondContact O-CE2 3.08Å; P93-Y160 HydrophobicContact CG-CG 4.33Å; D156-Y160 VanDerWaalsContact O-CB 3.23Å; D156-Y160 WeakPolarHBondContact O-CB 3.49Å; D156-Y160 PolarHBondContact O-N 3.27Å; V157-Y160 PolarHBondContact O-N 3.03Å; Y160-G164 PolarHBondContact O-N 2.93Å
161	K	79	Confident	67.6	Low	156 Å²	156	109.2 Å²	109.2	68%	0.678	58%	0.577	S	S	*	*	H	α-helix	trans	-70	-33.7	177.5	-172.1	-179.2	178.7	-169.9	0	112.6	V157 A158 D159	V157-K161 WeakPolarHBondContact O-CB 3.49Å; V157-K161 PolarHBondContact O-N 2.91Å; A158-K161 PolarHBondContact O-N 3.01Å; D159-K161 VanDerWaalsContact C-N 3.29Å; D159-K161 PolarHBondContact O-N 3.37Å
162	S	76.6	Confident	65.1	Low	88 Å²	88	108.8 Å²	108.8	62%	0.615	58%	0.583	S	S	*	*	H	α-helix	trans	-78.6	-34.1	178.9	69.9	0	0	0	0	112.6	A158 D159	A158-S162 WeakPolarHBondContact O-CB 3.36Å; A158-S162 PolarHBondContact O-N 3.37Å; A158-S162 PolarHBondContact O-OG 3.02Å; D159-S162 WeakPolarHBondContact CA-OG 3.5Å; D159-S162 PolarHBondContact O-N 2.85Å; D159-S162 PolarHBondContact O-OG 3.42Å
163	K	69.9	Low	62.8	Low	170 Å²	170	106 Å²	106	74%	0.739	58%	0.584	S	S	*	*	H	α-helix	trans	-81.7	-7.7	-179.3	-71.1	172.2	-179.8	165.7	0	114.9	D159	D159-K163 VanDerWaalsContact O-CB 3.29Å; D159-K163 WeakPolarHBondContact O-CB 3.5Å; D159-K163 VanDerWaalsContact O-CG 3.3Å; D159-K163 WeakPolarHBondContact O-CG 3.3Å; D159-K163 PolarHBondContact O-N 3.41Å
164	G	51.8	Low	60.3	Low	47 Å²	47	112 Å²	112	49%	0.485	61%	0.611	S	S	.	*			trans	-145.5	88.3	-174.3	0	0	0	0	0	114.8	Y160 F166	Y160-G164 PolarHBondContact O-N 2.93Å; G164-F166 PolarHBondContact O-N 3.35Å
165	K	47.1	Very low	57.9	Low	207 Å²	207	112.2 Å²	112.2	90%	0.9	62%	0.619	S	S	*	*			trans	-75.5	106.9	142	-91.9	177.8	174.7	179.9	0	107
166	F	41.5	Very low	55.6	Low	194 Å²	194	108.2 Å²	108.2	85%	0.851	61%	0.608	S	S	*	*			trans	-127.6	117.3	151	-174.6	-104.6	0	0	0	108.5	G164 G168	G164-F166 PolarHBondContact O-N 3.35Å; F166-G168 PolarHBondContact O-N 3.47Å
167	D	42	Very low	53.8	Low	145 Å²	145	113.4 Å²	113.4	78%	0.775	62%	0.623	S	S	*	*			trans	-56.2	119.7	176.3	-79.6	-93.1	0	0	0	111.8
168	G	35.9	Very low	51.6	Low	68 Å²	68	116.4 Å²	116.4	70%	0.701	63%	0.632	S	S	*	*			trans	173.7	76.7	176	0	0	0	0	0	114.4	F166	F166-G168 PolarHBondContact O-N 3.47Å
169	A	31.4	Very low	49.5	Very low	94 Å²	94	119.2 Å²	119.2	78%	0.777	63%	0.634	S	S	*	*			trans	80.5	125.2	168.3	0	0	0	0	0	116.8	G171	A169-G171 PolarHBondContact O-N 3.18Å
170	K	42.6	Very low	47.7	Very low	221 Å²	221	118.4 Å²	118.4	96%	0.961	63%	0.632	S	S	*	*			trans	-43	102.9	161.3	-68.6	-178.9	177.1	179.7	0	109.4
171	G	32.4	Very low	45.9	Very low	44 Å²	44	119.7 Å²	119.7	45%	0.454	64%	0.641	S	S	.	*			trans	-114.3	167.5	-171.4	0	0	0	0	0	113.2	A169 A173	A169-G171 PolarHBondContact O-N 3.18Å; G171-A173 PolarHBondContact O-N 3.04Å
172	P	38.7	Very low	43.8	Very low	90 Å²	90	116.6 Å²	116.6	58%	0.584	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	11.2	-150.7	35.1	-37.6	0	0	0	115.3	K174 V175 A176	P172-K174 PolarHBondContact O-N 3.45Å; P172-V175 PolarHBondContact O-N 3.02Å; P172-A176 WeakPolarHBondContact O-CB 3.24Å; P172-A176 PolarHBondContact O-N 3.19Å
173	A	40.3	Very low	42.1	Very low	72 Å²	72	117 Å²	117	60%	0.595	62%	0.622	S	S	*	*	H	α-helix	trans	-68.5	-33.4	-176.5	0	0	0	0	0	112.8	G171 R177	G171-A173 PolarHBondContact O-N 3.04Å; A173-R177 WeakPolarHBondContact O-CB 3.31Å; A173-R177 PolarHBondContact O-N 2.94Å; A173-R177 VanDerWaalsContact O-N 3.09Å
174	K	37.7	Very low	40.8	Very low	184 Å²	184	112.6 Å²	112.6	80%	0.8	61%	0.606	S	S	*	*	H	α-helix	trans	-73.4	-34.8	174.9	-72.8	-160.5	176.4	-166.3	0	113	P172 K178	P172-K174 PolarHBondContact O-N 3.45Å; K174-K178 WeakPolarHBondContact O-CB 3.36Å; K174-K178 PolarHBondContact O-N 3.39Å
175	V	37.5	Very low	40.5	Very low	108 Å²	108	116 Å²	116	66%	0.655	61%	0.609	S	S	*	*	H	α-helix	trans	-75.6	-36.1	178.3	175.4	0	0	0	0	111	P172 K179	P172-V175 PolarHBondContact O-N 3.02Å; V175-K179 WeakPolarHBondContact O-CB 3.4Å; V175-K179 PolarHBondContact O-N 3.4Å
176	A	41.3	Very low	40.4	Very low	34 Å²	34	112.2 Å²	112.2	28%	0.281	60%	0.595	S	S	.	*	H	α-helix	trans	-72.6	-27.3	174.2	0	0	0	0	0	113.2	P172 V180	P172-A176 WeakPolarHBondContact O-CB 3.24Å; P172-A176 PolarHBondContact O-N 3.19Å; A176-V180 WeakPolarHBondContact O-CB 3.31Å; A176-V180 WeakPolarHBondContact O-CG2 3.45Å; A176-V180 PolarHBondContact O-N 3.17Å
177	R	46.8	Very low	40.4	Very low	180 Å²	180	109 Å²	109	68%	0.679	58%	0.583	S	S	*	*	H	α-helix	trans	-72.6	-47.9	169.3	-95.4	-175.8	165.7	-175.8	-7.4	111.7	A173 K179 V180 E181	A173-R177 WeakPolarHBondContact O-CB 3.31Å; A173-R177 PolarHBondContact O-N 2.94Å; A173-R177 VanDerWaalsContact O-N 3.09Å; R177-K179 VanDerWaalsContact C-N 3.27Å; R177-K179 PolarHBondContact O-N 3.29Å; R177-V180 PolarHBondContact O-N 2.79Å; R177-E181 PolarHBondContact O-N 3.38Å
178	K	39.6	Very low	40.5	Very low	110 Å²	110	108.2 Å²	108.2	48%	0.478	57%	0.574	S	S	.	*	H	α-helix	trans	-58.3	-37.3	178.1	-176.4	75.8	178.9	115.6	0	112.8	K174 E182	K174-K178 WeakPolarHBondContact O-CB 3.36Å; K174-K178 PolarHBondContact O-N 3.39Å; K178-E182 WeakPolarHBondContact CE-OE1 3.14Å; K178-E182 IonicContact NZ-OE1 3.01Å; K178-E182 PolarHBondContact NZ-OE1 2.95Å; K178-E182 WeakPolarHBondContact O-CB 3.33Å; K178-E182 WeakPolarHBondContact O-CG 3.29Å; K178-E182 PolarHBondContact O-N 3.21Å
179	K	41.9	Very low	40.9	Very low	114 Å²	114	110.8 Å²	110.8	50%	0.496	57%	0.568	S	S	.	*	H	α-helix	trans	-78.7	-22.6	177.5	-166.6	166.4	-169.2	-65.3	0	113.5	V175 R177 E183	V175-K179 WeakPolarHBondContact O-CB 3.4Å; V175-K179 PolarHBondContact O-N 3.4Å; R177-K179 VanDerWaalsContact C-N 3.27Å; R177-K179 PolarHBondContact O-N 3.29Å; K179-E183 IonicContact NZ-OE1 2.72Å; K179-E183 PolarHBondContact NZ-OE1 3.16Å; K179-E183 IonicContact NZ-OE2 2.57Å; K179-E183 VanDerWaalsContact O-CB 3.27Å; K179-E183 WeakPolarHBondContact O-CB 3.42Å; K179-E183 WeakPolarHBondContact O-CG 3.45Å; K179-E183 PolarHBondContact O-N 2.91Å; K179-E183 VanDerWaalsContact O-N 3.13Å
180	V	45.9	Very low	41.5	Very low	62 Å²	62	112.8 Å²	112.8	38%	0.376	56%	0.561	S	S	.	*	H	α-helix	trans	-83.1	-36.8	173.8	170.5	0	0	0	0	109.8	A176 R177 E183 D184	A176-V180 WeakPolarHBondContact O-CB 3.31Å; A176-V180 WeakPolarHBondContact O-CG2 3.45Å; A176-V180 PolarHBondContact O-N 3.17Å; R177-V180 PolarHBondContact O-N 2.79Å; V180-E183 PolarHBondContact O-N 3.43Å; V180-D184 WeakPolarHBondContact O-CB 3.42Å; V180-D184 PolarHBondContact O-N 3.06Å
181	E	43.1	Very low	41.5	Very low	125 Å²	125	108.6 Å²	108.6	58%	0.584	55%	0.545	S	S	*	.	H	α-helix	trans	-62.4	-45.3	169.2	-78.2	171.3	149.8	0	0	111.1	R177 E183 E185	R177-E181 PolarHBondContact O-N 3.38Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E181-E183 PolarHBondContact O-N 3.06Å; E181-E185 WeakPolarHBondContact O-CB 3.46Å; E181-E185 PolarHBondContact O-N 3.48Å
182	E	35.5	Very low	42.1	Very low	92 Å²	92	113.2 Å²	113.2	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-70.8	-24.2	176.9	-76.2	178.7	175.3	0	0	113.6	K178 E186	K178-E182 WeakPolarHBondContact CE-OE1 3.14Å; K178-E182 IonicContact NZ-OE1 3.01Å; K178-E182 PolarHBondContact NZ-OE1 2.95Å; K178-E182 WeakPolarHBondContact O-CB 3.33Å; K178-E182 WeakPolarHBondContact O-CG 3.29Å; K178-E182 PolarHBondContact O-N 3.21Å; E182-E186 WeakPolarHBondContact O-CG 3.43Å; E182-E186 PolarHBondContact O-N 3.33Å
183	E	41.6	Very low	42.4	Very low	97 Å²	97	115.7 Å²	115.7	45%	0.453	56%	0.559	S	S	.	*	H	α-helix	trans	-85.1	-33.1	175.1	-77.6	175.5	160.3	0	0	112	K179 V180 E181 E187	K179-E183 IonicContact NZ-OE1 2.72Å; K179-E183 PolarHBondContact NZ-OE1 3.16Å; K179-E183 IonicContact NZ-OE2 2.57Å; K179-E183 VanDerWaalsContact O-CB 3.27Å; K179-E183 WeakPolarHBondContact O-CB 3.42Å; K179-E183 WeakPolarHBondContact O-CG 3.45Å; K179-E183 PolarHBondContact O-N 2.91Å; K179-E183 VanDerWaalsContact O-N 3.13Å; V180-E183 PolarHBondContact O-N 3.43Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E181-E183 PolarHBondContact O-N 3.06Å; E183-E187 WeakPolarHBondContact O-CB 3.5Å; E183-E187 PolarHBondContact O-N 3.43Å; E183-E187 VanDerWaalsContact O-N 3.1Å
184	D	41.8	Very low	42.6	Very low	76 Å²	76	119.1 Å²	119.1	41%	0.406	56%	0.562	S	S	.	*	H	α-helix	trans	-67.6	-38	170.3	-98.3	-62.8	0	0	0	110.6	V180 E187 E188	V180-D184 WeakPolarHBondContact O-CB 3.42Å; V180-D184 PolarHBondContact O-N 3.06Å; D184-E187 PolarHBondContact O-N 3Å; D184-E188 PolarHBondContact O-N 3.28Å
185	E	46.1	Very low	42.8	Very low	118 Å²	118	117.5 Å²	117.5	55%	0.551	56%	0.557	S	S	*	*	H	α-helix	trans	-71.6	-32.8	179.4	-159.8	170.4	-154	0	0	111.6	E181 E189	E181-E185 WeakPolarHBondContact O-CB 3.46Å; E181-E185 PolarHBondContact O-N 3.48Å; E185-E189 WeakPolarHBondContact O-CB 3.37Å; E185-E189 WeakPolarHBondContact O-CG 3.5Å; E185-E189 PolarHBondContact O-N 3.02Å; E185-E189 VanDerWaalsContact O-N 3.1Å
186	E	44.8	Very low	43.1	Very low	129 Å²	129	119.7 Å²	119.7	60%	0.603	56%	0.56	S	S	*	*	H	α-helix	trans	-73.1	-33.1	170.5	-79	-179.5	174.7	0	0	112.4	E182 E190	E182-E186 WeakPolarHBondContact O-CG 3.43Å; E182-E186 PolarHBondContact O-N 3.33Å; E186-E190 PolarHBondContact O-N 3.29Å
187	E	42.1	Very low	43.1	Very low	127 Å²	127	125.8 Å²	125.8	59%	0.593	58%	0.583	S	S	*	*	H	α-helix	trans	-74.8	-35	177.2	-138.1	169.8	-166.7	0	0	111.2	E183 D184 E191	E183-E187 WeakPolarHBondContact O-CB 3.5Å; E183-E187 PolarHBondContact O-N 3.43Å; E183-E187 VanDerWaalsContact O-N 3.1Å; D184-E187 PolarHBondContact O-N 3Å; E187-E191 WeakPolarHBondContact O-CG 3.26Å; E187-E191 PolarHBondContact O-N 3.09Å
188	E	44.6	Very low	42.9	Very low	127 Å²	127	125 Å²	125	59%	0.593	59%	0.587	S	S	*	*	H	α-helix	trans	-69.3	-38.9	171.1	-80	-175.3	165.6	0	0	112.2	D184 E191 E192	D184-E188 PolarHBondContact O-N 3.28Å; E188-E191 PolarHBondContact O-N 3.34Å; E188-E192 WeakPolarHBondContact O-CG 3.21Å; E188-E192 PolarHBondContact O-N 3.2Å
189	E	43.6	Very low	42.9	Very low	123 Å²	123	128.3 Å²	128.3	58%	0.575	60%	0.604	S	S	*	*	H	α-helix	trans	-67.6	-36.6	174.7	-79.4	-174	174.1	0	0	112.3	E185 E193	E185-E189 WeakPolarHBondContact O-CB 3.37Å; E185-E189 WeakPolarHBondContact O-CG 3.5Å; E185-E189 PolarHBondContact O-N 3.02Å; E185-E189 VanDerWaalsContact O-N 3.1Å; E189-E193 PolarHBondContact O-N 3.1Å
190	E	44.1	Very low	42.9	Very low	136 Å²	136	130.5 Å²	130.5	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-69.8	-35.9	174	-77.6	-171.3	172.6	0	0	112.2	E186 E194	E186-E190 PolarHBondContact O-N 3.29Å; E190-E194 WeakPolarHBondContact O-CG 3.25Å; E190-E194 PolarHBondContact O-N 2.9Å; E190-E194 VanDerWaalsContact O-N 3.1Å
191	E	42.6	Very low	42.7	Very low	132 Å²	132	139 Å²	139	62%	0.617	66%	0.657	S	S	*	*	H	α-helix	trans	-69.2	-36.8	173.5	-77.3	-174.5	174.4	0	0	112.2	E187 E188 E195	E187-E191 WeakPolarHBondContact O-CG 3.26Å; E187-E191 PolarHBondContact O-N 3.09Å; E188-E191 PolarHBondContact O-N 3.34Å; E191-E195 WeakPolarHBondContact O-CG 3.42Å; E191-E195 PolarHBondContact O-N 3.14Å; E191-E195 VanDerWaalsContact O-N 3.13Å
192	E	45	Very low	42.7	Very low	141 Å²	141	139.8 Å²	139.8	66%	0.659	66%	0.661	S	S	*	*	H	α-helix	trans	-69.9	-37.3	174.8	-76.4	-171.5	173	0	0	112.7	E188 E195 E196	E188-E192 WeakPolarHBondContact O-CG 3.21Å; E188-E192 PolarHBondContact O-N 3.2Å; E192-E195 PolarHBondContact O-N 3.44Å; E192-E196 PolarHBondContact O-N 2.87Å; E192-E196 VanDerWaalsContact O-N 3.17Å
193	E	44.3	Very low	43.1	Very low	143 Å²	143	142.3 Å²	142.3	67%	0.668	67%	0.673	S	S	*	*	H	α-helix	trans	-68.9	-36.2	174.8	-76.6	-168.5	168.9	0	0	112.4	E189 E197	E189-E193 PolarHBondContact O-N 3.1Å; E193-E197 PolarHBondContact O-N 3.33Å
194	E	44	Very low	43.2	Very low	143 Å²	143	144.8 Å²	144.8	67%	0.668	69%	0.685	S	S	*	*	H	α-helix	trans	-70.7	-30.6	175	-74.8	-168.3	173.8	0	0	112.8	E190	E190-E194 WeakPolarHBondContact O-CG 3.25Å; E190-E194 PolarHBondContact O-N 2.9Å; E190-E194 VanDerWaalsContact O-N 3.1Å
195	E	43.4	Very low	43.2	Very low	151 Å²	151	148.8 Å²	148.8	71%	0.706	70%	0.702	S	S	*	*	H	α-helix	trans	-74.7	-32.3	174.5	-74.6	-164.2	171.2	0	0	113.2	E191 E192	E191-E195 WeakPolarHBondContact O-CG 3.42Å; E191-E195 PolarHBondContact O-N 3.14Å; E191-E195 VanDerWaalsContact O-N 3.13Å; E192-E195 PolarHBondContact O-N 3.44Å
196	E	43.3	Very low	43.1	Very low	153 Å²	153	150.8 Å²	150.8	72%	0.715	71%	0.711	S	S	*	*	H	α-helix	trans	-73	-30.2	174.3	-74	-157.6	166.5	0	0	112.9	E192 E198 E199	E192-E196 PolarHBondContact O-N 2.87Å; E192-E196 VanDerWaalsContact O-N 3.17Å; E196-E198 VanDerWaalsContact C-N 3.33Å; E196-E198 PolarHBondContact O-N 3.16Å; E196-E199 PolarHBondContact O-N 3.38Å
197	E	41.6	Very low	42.9	Very low	163 Å²	163	152.2 Å²	152.2	76%	0.762	72%	0.718	S	S	*	*	H	α-helix	trans	-72.8	-21	176.2	-72.2	-161.8	166.9	0	0	113.7	E193	E193-E197 PolarHBondContact O-N 3.33Å
198	E	41.3	Very low	43	Very low	163 Å²	163	154 Å²	154	76%	0.762	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-12.3	176.2	-69.4	-88.8	159	0	0	113.4	E196	E196-E198 VanDerWaalsContact C-N 3.33Å; E196-E198 PolarHBondContact O-N 3.16Å
199	E	40	Very low	42.9	Very low	179 Å²	179	156.1 Å²	156.1	84%	0.836	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-16.5	174.9	-97.7	-164	163.4	0	0	113.9	E196	E196-E199 PolarHBondContact O-N 3.38Å
200	D	43.1	Very low	42.8	Very low	160 Å²	160	158.8 Å²	158.8	86%	0.856	75%	0.751	S	S	*	*			trans	-102.9	9.2	-177.3	-99.6	-36	0	0	0	114.5
201	E	41.2	Very low	42.7	Very low	242 Å²	242	160.9 Å²	160.9	100%	1.131	76%	0.762	S	S	*	*			trans	-105.8	0	170.1	-156.9	174.4	-166.5	0	0	114.6

Retrieved 201 of 201 residues in 55.5 ms (Link to these results)

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