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FAD assembly factor SdhE

An FAD assembly protein, which accelerates covalent attachment of the cofactor into other proteins^1,2,3. Plays an essential role in the assembly of succinate dehydrogenase (SDH, respiratory complex II), an enzyme complex that is a component of both the tricarboxylic acid cycle and the electron transport chain, and which couples the oxidation of succinate to fumarate with the reduction of ubiquinone (coenzyme Q) to ubiquinol. Required for flavinylation (covalent attachment of FAD) of the flavoprotein subunit SdhA of SDH^4,5,6. Required for flavinylation of the flavoprotein subunit FrdA of fumarate reductase (FRD)⁷. Binds 2 different sites on the flavoprotein target FrdA (and presumably also SdhA), possibly positioning FAD and protein to facilitate the covalent bond formation; covalent attachment of FAD is not required for SDH or FRD complex enzyme formation⁸. Overexpression of this protein and YgfX (formerly cptA) restores production of prodigiosin antibiotic (Pig) in Serratia strains with deletions of sdhE-ygfX⁹.

AlphaFold DB , UniProt , Accession P64559, Species ECOLI (Escherichia coli (strain K12)), Gene sdhE, Length 88 aa.

						>SDHE_ECOLI|P64559|sdhE
MDINNKARIHWACRRGMRELDISIMPFFEHEYDSLSDDEKRIFIRLLECDDPDLFNWLMNHGKPADAELEMMVRLIQTRNRERGPVAI
					

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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	90.5	Very high	96.3	Very high	64 Å²	64	84.8 Å²	84.8	32%	0.315	41%	0.411	S	S	.	.				0	153.6	0	168.8	-171.3	-37.9	0	0	109.9	R8 I9 A12 I44	M1-R8 HydrophobicContact CE-CG 4.09Å; M1-R8 HydrophobicContact CG-CB 4.42Å; M1-R8 HydrophobicContact CG-CG 4.01Å; M1-R8 HydrophobicContact SD-CB 4.18Å; M1-R8 HydrophobicContact SD-CG 3.79Å; M1-I9 HydrophobicContact CG-CG1 4.08Å; M1-I9 VanDerWaalsContact SD-CA 3.52Å; M1-I9 HydrophobicContact SD-CB 3.97Å; M1-I9 HydrophobicContact SD-CG1 3.32Å; M1-I9 WeakPolarHBondContact SD-CG1 3.3Å; M1-A12 HydrophobicContact CE-CB 3.69Å; M1-I44 HydrophobicContact CB-CD1 4.35Å; M1-I44 HydrophobicContact CB-CG2 3.65Å; M1-I44 HydrophobicContact CG-CD1 4.27Å; M1-I44 HydrophobicContact CG-CG2 4.48Å
2	D	95	Very high	96.4	Very high	91 Å²	91	78.9 Å²	78.9	49%	0.487	39%	0.386	S	S	.	.			trans	-76.4	132.3	178.9	178.1	3.1	0	0	0	111.2	N4 N5	D2-N4 PolarHBondContact O-N 2.71Å; D2-N4 PolarHBondContact OD1-N 2.81Å; D2-N4 PolarHBondContact OD1-ND2 3.03Å; D2-N5 HydrophobicContact CB-CB 4.18Å; D2-N5 PolarHBondContact O-N 2.88Å
3	I	97.1	Very high	96.5	Very high	18 Å²	18	72.8 Å²	72.8	9%	0.092	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.2	178.2	64.4	171.9	0	0	0	113.6	Y32 D37 K40 R41 I44	I3-Y32 VanDerWaalsContact CA-OH 3.3Å; I3-Y32 WeakPolarHBondContact CA-OH 3.45Å; I3-Y32 WeakPolarHBondContact O-CE1 3.29Å; I3-Y32 PolarHBondContact O-OH 3.3Å; I3-D37 HydrophobicContact CD1-CB 3.93Å; I3-K40 HydrophobicContact CB-CB 3.93Å; I3-K40 HydrophobicContact CB-CD 4.33Å; I3-K40 HydrophobicContact CG2-CB 3.68Å; I3-R41 HydrophobicContact CG2-CG 3.78Å; I3-I44 HydrophobicContact CB-CD1 4.37Å; I3-I44 HydrophobicContact CG2-CD1 3.89Å
4	N	95.9	Very high	96.5	Very high	119 Å²	119	79.9 Å²	79.9	64%	0.636	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-13.7	179.2	-62	-59.8	0	0	0	113	D2 K6	D2-N4 PolarHBondContact O-N 2.71Å; D2-N4 PolarHBondContact OD1-N 2.81Å; D2-N4 PolarHBondContact OD1-ND2 3.03Å; N4-K6 VanDerWaalsContact C-N 3.26Å; N4-K6 PolarHBondContact O-N 2.87Å
5	N	96.7	Very high	96.4	Very high	70 Å²	70	77.9 Å²	77.9	37%	0.374	37%	0.365	S	S	.	.			trans	-84.3	68.3	-178.3	-167.2	-22.7	0	0	0	111.5	D2 A7 R8 I9	D2-N5 HydrophobicContact CB-CB 4.18Å; D2-N5 PolarHBondContact O-N 2.88Å; N5-A7 PolarHBondContact O-N 2.92Å; N5-R8 HydrophobicContact CB-CB 4.26Å; N5-R8 PolarHBondContact O-N 3.31Å; N5-R8 WeakPolarHBondContact OD1-CB 3.35Å; N5-R8 PolarHBondContact OD1-N 3.23Å; N5-R8 VanDerWaalsContact OD1-N 3.12Å; N5-I9 WeakPolarHBondContact O-CD1 3.32Å; N5-I9 VanDerWaalsContact O-CG1 3.32Å; N5-I9 WeakPolarHBondContact O-CG1 3.38Å; N5-I9 PolarHBondContact O-N 3.45Å
6	K	96.6	Very high	96.3	Very high	88 Å²	88	77.6 Å²	77.6	38%	0.383	39%	0.389	S	S	.	.	H	α-helix	trans	-54.6	-36.5	-178.4	-71.6	-172.6	179.5	-178.9	0	113.7	N4 R8 I9 H10 F28 Y32 D33	N4-K6 VanDerWaalsContact C-N 3.26Å; N4-K6 PolarHBondContact O-N 2.87Å; K6-R8 VanDerWaalsContact C-N 3.34Å; K6-R8 PolarHBondContact O-N 3.46Å; K6-I9 PolarHBondContact O-N 3.2Å; K6-H10 WeakPolarHBondContact O-CB 3.27Å; K6-H10 PolarHBondContact O-N 3.48Å; K6-F28 HydrophobicContact CB-CZ 4.19Å; K6-F28 HydrophobicContact CG-CZ 4.47Å; K6-F28 WeakPolarHBondContact O-CZ 3.21Å; K6-Y32 HydrophobicContact CG-CE1 4.36Å; K6-D33 WeakPolarHBondContact CE-OD1 3.24Å; K6-D33 IonicContact NZ-OD1 3.75Å; K6-D33 PolarHBondContact NZ-OD1 2.81Å; K6-D33 IonicContact NZ-OD2 2.59Å; K6-D33 PolarHBondContact NZ-OD2 3.38Å
7	A	97.3	Very high	96.2	Very high	78 Å²	78	76.4 Å²	76.4	65%	0.645	38%	0.383	S	S	*	.	H	α-helix	trans	-62.3	-42.4	178.4	0	0	0	0	0	111.7	N5 W11	N5-A7 PolarHBondContact O-N 2.92Å; A7-W11 PolarHBondContact O-N 3.43Å; A7-W11 VanDerWaalsContact O-N 3.1Å
8	R	97.5	Very high	96.1	Very high	151 Å²	151	81 Å²	81	57%	0.57	40%	0.395	S	S	*	.	H	α-helix	trans	-70.4	-38.6	176.8	-172.5	172.8	173.3	164.6	2	112.1	M1 N5 K6 W11 A12	M1-R8 HydrophobicContact CE-CG 4.09Å; M1-R8 HydrophobicContact CG-CB 4.42Å; M1-R8 HydrophobicContact CG-CG 4.01Å; M1-R8 HydrophobicContact SD-CB 4.18Å; M1-R8 HydrophobicContact SD-CG 3.79Å; N5-R8 HydrophobicContact CB-CB 4.26Å; N5-R8 PolarHBondContact O-N 3.31Å; N5-R8 WeakPolarHBondContact OD1-CB 3.35Å; N5-R8 PolarHBondContact OD1-N 3.23Å; N5-R8 VanDerWaalsContact OD1-N 3.12Å; K6-R8 VanDerWaalsContact C-N 3.34Å; K6-R8 PolarHBondContact O-N 3.46Å; R8-W11 PolarHBondContact O-N 3.21Å; R8-A12 PolarHBondContact O-N 3.35Å
9	I	98	Very high	96	Very high	0 Å²	0	81.4 Å²	81.4	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-66.7	-47.2	178.1	-58.3	155.5	0	0	0	110.3	M1 N5 K6 W11 A12 C13 F28 Y32 F43 I44 L47	M1-I9 HydrophobicContact CG-CG1 4.08Å; M1-I9 VanDerWaalsContact SD-CA 3.52Å; M1-I9 HydrophobicContact SD-CB 3.97Å; M1-I9 HydrophobicContact SD-CG1 3.32Å; M1-I9 WeakPolarHBondContact SD-CG1 3.3Å; N5-I9 WeakPolarHBondContact O-CD1 3.32Å; N5-I9 VanDerWaalsContact O-CG1 3.32Å; N5-I9 WeakPolarHBondContact O-CG1 3.38Å; N5-I9 PolarHBondContact O-N 3.45Å; K6-I9 PolarHBondContact O-N 3.2Å; I9-W11 VanDerWaalsContact C-N 3.26Å; I9-W11 PolarHBondContact O-N 2.79Å; I9-A12 CarbonylContact O-C 3.56Å; I9-A12 PolarHBondContact O-N 3.37Å; I9-C13 PolarHBondContact O-N 3.08Å; I9-C13 PolarHBondContact O-SG 2.95Å; I9-F28 HydrophobicContact CB-CD2 4.39Å; I9-F28 HydrophobicContact CB-CE2 3.71Å; I9-F28 HydrophobicContact CB-CZ 4.18Å; I9-F28 HydrophobicContact CG2-CD2 3.52Å; I9-F28 HydrophobicContact CG2-CE2 3.3Å; I9-F28 HydrophobicContact CG2-CZ 4.18Å; I9-Y32 HydrophobicContact CD1-CE1 3.92Å; I9-Y32 HydrophobicContact CD1-CE2 4.22Å; I9-Y32 WeakPolarHBondContact CD1-OH 3.16Å; I9-Y32 HydrophobicContact CG2-CE2 4.29Å; I9-F43 HydrophobicContact CG2-CD1 4.29Å; I9-F43 HydrophobicContact CG2-CE1 3.93Å; I9-I44 HydrophobicContact CD1-CD1 3.95Å; I9-I44 HydrophobicContact CD1-CG1 4.46Å; I9-I44 HydrophobicContact CG1-CD1 4Å; I9-I44 HydrophobicContact CG1-CG1 4.19Å; I9-L47 HydrophobicContact CG2-CD1 3.78Å
10	H	97.7	Very high	96	Very high	69 Å²	69	77.3 Å²	77.3	32%	0.319	38%	0.376	S	S	.	.	H	α-helix	trans	-54.7	-43.6	174.2	-177.1	-73.4	0	0	0	111.1	K6 C13 M25 F28 E29	K6-H10 WeakPolarHBondContact O-CB 3.27Å; K6-H10 PolarHBondContact O-N 3.48Å; H10-C13 WeakPolarHBondContact O-CB 3.36Å; H10-C13 PolarHBondContact O-N 2.93Å; H10-M25 WeakPolarHBondContact O-CE 3.13Å; H10-F28 HydrophobicContact CB-CD1 4.16Å; H10-F28 HydrophobicContact CB-CE1 3.45Å; H10-F28 VanDerWaalsContact CB-CE1 3.45Å; H10-F28 HydrophobicContact CB-CZ 3.94Å; H10-F28 AromaticContact CD2-CE1 3.67Å; H10-F28 AromaticContact CG-CE1 3.92Å; H10-E29 IonicContact NE2-OE1 3.92Å
11	W	97	Very high	96	Very high	185 Å²	185	76 Å²	76	70%	0.701	37%	0.371	S	S	*	.	H	α-helix	trans	-63.7	-42.2	176.4	-170.3	88.9	0	0	0	112.2	A7 R8 I9 C13 R14	A7-W11 PolarHBondContact O-N 3.43Å; A7-W11 VanDerWaalsContact O-N 3.1Å; R8-W11 PolarHBondContact O-N 3.21Å; I9-W11 VanDerWaalsContact C-N 3.26Å; I9-W11 PolarHBondContact O-N 2.79Å; W11-C13 PolarHBondContact O-N 3.19Å; W11-R14 WeakPolarHBondContact O-CB 3.47Å; W11-R14 PolarHBondContact O-N 3.31Å; W11-R14 VanDerWaalsContact O-N 3.07Å
12	A	97.4	Very high	96.2	Very high	14 Å²	14	76.7 Å²	76.7	12%	0.116	38%	0.375	C	S	.	.	H	α-helix	trans	-67.6	-18.7	176.8	0	0	0	0	0	114.1	M1 R8 I9 R14 L47	M1-A12 HydrophobicContact CE-CB 3.69Å; R8-A12 PolarHBondContact O-N 3.35Å; I9-A12 CarbonylContact O-C 3.56Å; I9-A12 PolarHBondContact O-N 3.37Å; A12-R14 PolarHBondContact O-N 3.46Å; A12-L47 HydrophobicContact CB-CB 4.42Å; A12-L47 HydrophobicContact CB-CD1 4Å
13	C	97.6	Very high	96.2	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.3	171.7	-63.4	0	0	0	0	113.1	I9 H10 W11 R15 I24 M25 F28	I9-C13 PolarHBondContact O-N 3.08Å; I9-C13 PolarHBondContact O-SG 2.95Å; H10-C13 WeakPolarHBondContact O-CB 3.36Å; H10-C13 PolarHBondContact O-N 2.93Å; W11-C13 PolarHBondContact O-N 3.19Å; C13-R15 PolarHBondContact O-N 3.43Å; C13-I24 HydrophobicContact CB-CG2 3.89Å; C13-M25 HydrophobicContact CB-CE 3.75Å; C13-M25 HydrophobicContact CB-SD 3.91Å; C13-F28 VanDerWaalsContact SG-CB 3.59Å
14	R	96.8	Very high	96.2	Very high	172 Å²	172	72.5 Å²	72.5	65%	0.649	35%	0.354	S	S	*	.			trans	-84.5	104	176.6	-58.2	178.4	66.3	152.7	1.4	109.5	W11 A12 M25	W11-R14 WeakPolarHBondContact O-CB 3.47Å; W11-R14 PolarHBondContact O-N 3.31Å; W11-R14 VanDerWaalsContact O-N 3.07Å; A12-R14 PolarHBondContact O-N 3.46Å; R14-M25 HydrophobicContact CB-CE 4.47Å; R14-M25 HydrophobicContact CG-CE 3.42Å; R14-M25 VanDerWaalsContact CG-CE 3.42Å
15	R	95.1	Very high	96.3	Very high	50 Å²	50	68.1 Å²	68.1	19%	0.189	33%	0.33	C	S	.	.			trans	-100.8	-23.9	-177.9	-58.1	-53	-154.7	163.8	1.1	113.2	C13 M17 L20 D21 I24 L47 C49 D51	C13-R15 PolarHBondContact O-N 3.43Å; R15-M17 PolarHBondContact O-N 3.43Å; R15-L20 HydrophobicContact CB-CB 3.82Å; R15-L20 HydrophobicContact CB-CD1 3.88Å; R15-L20 HydrophobicContact CG-CB 3.88Å; R15-L20 HydrophobicContact CG-CD1 3.98Å; R15-D21 PolarHBondContact N-OD1 3.43Å; R15-I24 HydrophobicContact CG-CD1 4.29Å; R15-L47 PolarHBondContact NH1-O 3.39Å; R15-L47 PolarHBondContact NH2-O 3.13Å; R15-C49 PolarHBondContact NH2-O 3.13Å; R15-D51 VanDerWaalsContact CD-OD1 3.29Å; R15-D51 WeakPolarHBondContact CD-OD1 3.33Å; R15-D51 IonicContact CZ-OD1 3.69Å; R15-D51 IonicContact NE-OD1 3.55Å; R15-D51 IonicContact NH1-OD1 3.6Å
16	G	94	Very high	96.2	Very high	72 Å²	72	65 Å²	65	74%	0.742	31%	0.314	S	S	*	.	S	Bend	trans	78.1	-4.7	-177.7	0	0	0	0	0	114	D21	G16-D21 PolarHBondContact N-OD1 3.02Å; G16-D21 PolarHBondContact N-OD2 3.38Å
17	M	95.3	Very high	96.2	Very high	58 Å²	58	60.9 Å²	60.9	29%	0.286	30%	0.296	S	S	.	.			trans	-92.5	124.1	162.3	-176.6	-177.4	-62.1	0	0	108.6	R15 E19 L20 D21 D51 F55	R15-M17 PolarHBondContact O-N 3.43Å; M17-E19 VanDerWaalsContact C-N 3.3Å; M17-E19 WeakPolarHBondContact CG-OE2 3.33Å; M17-E19 PolarHBondContact O-N 2.92Å; M17-L20 HydrophobicContact CB-CB 4.24Å; M17-L20 HydrophobicContact CB-CD1 4.08Å; M17-L20 HydrophobicContact CB-CG 4.13Å; M17-L20 HydrophobicContact CE-CD1 4.47Å; M17-L20 HydrophobicContact CG-CG 4.26Å; M17-L20 PolarHBondContact O-N 3.32Å; M17-L20 VanDerWaalsContact O-N 3.15Å; M17-L20 HydrophobicContact SD-CD1 3.93Å; M17-L20 HydrophobicContact SD-CG 3.81Å; M17-D21 PolarHBondContact O-N 2.89Å; M17-D51 HydrophobicContact CE-CB 4.45Å; M17-F55 HydrophobicContact CE-CB 4.49Å; M17-F55 HydrophobicContact SD-CB 3.89Å; M17-F55 HydrophobicContact SD-CD2 3.35Å; M17-F55 WeakPolarHBondContact SD-CD2 3.45Å; M17-F55 HydrophobicContact SD-CE2 4.13Å; M17-F55 HydrophobicContact SD-CG 3.86Å
18	R	94.3	Very high	96.3	Very high	159 Å²	159	58 Å²	58	60%	0.6	27%	0.269	S	S	*	.	H	α-helix	trans	-56.4	-43.9	-173.2	179.1	179.2	176.8	132.7	3.6	112.5	L20 D21 I22	R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.21Å; R18-D21 PolarHBondContact O-N 2.9Å; R18-I22 HydrophobicContact CG-CD1 3.65Å; R18-I22 HydrophobicContact CG-CG1 4.35Å; R18-I22 WeakPolarHBondContact O-CB 3.27Å; R18-I22 VanDerWaalsContact O-CG1 3.26Å; R18-I22 WeakPolarHBondContact O-CG1 3.35Å; R18-I22 PolarHBondContact O-N 3.48Å
19	E	94.3	Very high	96.2	Very high	88 Å²	88	55.9 Å²	55.9	41%	0.411	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-39.5	-177.6	-65.8	81.6	178.7	0	0	111.6	M17 S23 F55 M59	M17-E19 VanDerWaalsContact C-N 3.3Å; M17-E19 WeakPolarHBondContact CG-OE2 3.33Å; M17-E19 PolarHBondContact O-N 2.92Å; E19-S23 VanDerWaalsContact O-CB 3.32Å; E19-S23 WeakPolarHBondContact O-CB 3.27Å; E19-S23 PolarHBondContact O-N 2.78Å; E19-S23 VanDerWaalsContact O-N 3.15Å; E19-S23 PolarHBondContact O-OG 2.79Å; E19-F55 HydrophobicContact CB-CD2 4.11Å; E19-F55 HydrophobicContact CB-CE2 3.93Å; E19-F55 HydrophobicContact CG-CE2 3.94Å; E19-M59 HydrophobicContact CB-CE 4.31Å
20	L	96.8	Very high	96.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-70	-45.7	174.5	-65.9	-177.1	0	0	0	111.2	R15 M17 R18 I22 S23 I24 D51 L54 F55 L58	R15-L20 HydrophobicContact CB-CB 3.82Å; R15-L20 HydrophobicContact CB-CD1 3.88Å; R15-L20 HydrophobicContact CG-CB 3.88Å; R15-L20 HydrophobicContact CG-CD1 3.98Å; M17-L20 HydrophobicContact CB-CB 4.24Å; M17-L20 HydrophobicContact CB-CD1 4.08Å; M17-L20 HydrophobicContact CB-CG 4.13Å; M17-L20 HydrophobicContact CE-CD1 4.47Å; M17-L20 HydrophobicContact CG-CG 4.26Å; M17-L20 PolarHBondContact O-N 3.32Å; M17-L20 VanDerWaalsContact O-N 3.15Å; M17-L20 HydrophobicContact SD-CD1 3.93Å; M17-L20 HydrophobicContact SD-CG 3.81Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.21Å; L20-I22 VanDerWaalsContact C-N 3.31Å; L20-I22 PolarHBondContact O-N 3.44Å; L20-S23 PolarHBondContact O-N 3.39Å; L20-S23 VanDerWaalsContact O-N 3.08Å; L20-I24 HydrophobicContact CB-CD1 4.3Å; L20-I24 HydrophobicContact CD2-CD1 4.28Å; L20-I24 WeakPolarHBondContact O-CB 3.37Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 2.89Å; L20-D51 HydrophobicContact CD1-CB 3.7Å; L20-L54 HydrophobicContact CD1-CB 4.3Å; L20-L54 HydrophobicContact CD2-CB 3.8Å; L20-F55 HydrophobicContact CD2-CB 4.26Å; L20-L58 HydrophobicContact CD2-CD1 3.68Å
21	D	96.1	Very high	96	Very high	51 Å²	51	59.5 Å²	59.5	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-43.1	179.5	-71.1	-20.5	0	0	0	110.7	R15 G16 M17 R18 S23 M25 P26	R15-D21 PolarHBondContact N-OD1 3.43Å; G16-D21 PolarHBondContact N-OD1 3.02Å; G16-D21 PolarHBondContact N-OD2 3.38Å; M17-D21 PolarHBondContact O-N 2.89Å; R18-D21 PolarHBondContact O-N 2.9Å; D21-S23 VanDerWaalsContact C-N 3.29Å; D21-S23 PolarHBondContact O-N 2.95Å; D21-M25 WeakPolarHBondContact O-CB 3.35Å; D21-M25 PolarHBondContact O-N 3.48Å; D21-M25 VanDerWaalsContact O-N 3.13Å; D21-P26 WeakPolarHBondContact O-CD 3.43Å
22	I	94.2	Very high	96	Very high	77 Å²	77	50.9 Å²	50.9	40%	0.395	25%	0.249	S	C	.	.	H	α-helix	trans	-68.1	-27.6	176.9	-68.7	172.7	0	0	0	112.5	R18 L20 P26	R18-I22 HydrophobicContact CG-CD1 3.65Å; R18-I22 HydrophobicContact CG-CG1 4.35Å; R18-I22 WeakPolarHBondContact O-CB 3.27Å; R18-I22 VanDerWaalsContact O-CG1 3.26Å; R18-I22 WeakPolarHBondContact O-CG1 3.35Å; R18-I22 PolarHBondContact O-N 3.48Å; L20-I22 VanDerWaalsContact C-N 3.31Å; L20-I22 PolarHBondContact O-N 3.44Å; I22-P26 VanDerWaalsContact O-CD 3.29Å; I22-P26 WeakPolarHBondContact O-CD 3.31Å; I22-P26 VanDerWaalsContact O-CG 3.3Å; I22-P26 WeakPolarHBondContact O-CG 3.44Å
23	S	95.2	Very high	96	Very high	19 Å²	19	55.2 Å²	55.2	13%	0.133	27%	0.271	C	S	.	.	H	α-helix	trans	-87.8	-46.1	-178.6	-59.9	0	0	0	0	112.5	E19 L20 D21 F27 N80	E19-S23 VanDerWaalsContact O-CB 3.32Å; E19-S23 WeakPolarHBondContact O-CB 3.27Å; E19-S23 PolarHBondContact O-N 2.78Å; E19-S23 VanDerWaalsContact O-N 3.15Å; E19-S23 PolarHBondContact O-OG 2.79Å; L20-S23 PolarHBondContact O-N 3.39Å; L20-S23 VanDerWaalsContact O-N 3.08Å; D21-S23 VanDerWaalsContact C-N 3.29Å; D21-S23 PolarHBondContact O-N 2.95Å; S23-F27 WeakPolarHBondContact O-CB 3.45Å; S23-N80 PolarHBondContact O-ND2 3.37Å
24	I	97.6	Very high	95.9	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-88.5	-46.5	-169.5	-61.1	176.8	0	0	0	110.9	C13 R15 L20 F27 F28 F43 L47 L54 L58	C13-I24 HydrophobicContact CB-CG2 3.89Å; R15-I24 HydrophobicContact CG-CD1 4.29Å; L20-I24 HydrophobicContact CB-CD1 4.3Å; L20-I24 HydrophobicContact CD2-CD1 4.28Å; L20-I24 WeakPolarHBondContact O-CB 3.37Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 2.89Å; I24-F27 PolarHBondContact O-N 2.74Å; I24-F28 PolarHBondContact O-N 3.47Å; I24-F43 HydrophobicContact CG2-CE2 4.32Å; I24-F43 HydrophobicContact CG2-CZ 3.97Å; I24-L47 HydrophobicContact CG2-CD2 3.62Å; I24-L54 HydrophobicContact CD1-CD1 4.35Å; I24-L58 HydrophobicContact CD1-CD1 4.09Å; I24-L58 HydrophobicContact CG1-CD1 3.87Å
25	M	96.4	Very high	96	Very high	27 Å²	27	51.2 Å²	51.2	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-50.8	-174.4	-176.6	68	73.1	0	0	112	H10 C13 R14 D21 F27 F28 E29	H10-M25 WeakPolarHBondContact O-CE 3.13Å; C13-M25 HydrophobicContact CB-CE 3.75Å; C13-M25 HydrophobicContact CB-SD 3.91Å; R14-M25 HydrophobicContact CB-CE 4.47Å; R14-M25 HydrophobicContact CG-CE 3.42Å; R14-M25 VanDerWaalsContact CG-CE 3.42Å; D21-M25 WeakPolarHBondContact O-CB 3.35Å; D21-M25 PolarHBondContact O-N 3.48Å; D21-M25 VanDerWaalsContact O-N 3.13Å; M25-F27 VanDerWaalsContact C-N 3.28Å; M25-F27 PolarHBondContact O-N 3.13Å; M25-F28 WeakPolarHBondContact O-CB 3.34Å; M25-F28 PolarHBondContact O-N 3.37Å; M25-F28 VanDerWaalsContact O-N 3.09Å; M25-E29 HydrophobicContact CG-CG 4.29Å; M25-E29 WeakPolarHBondContact O-CG 3.35Å; M25-E29 PolarHBondContact O-N 3.18Å; M25-E29 HydrophobicContact SD-CG 4.22Å
26	P	95.4	Very high	96.1	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.039	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-33.3	178.9	-26.4	39.4	0	0	0	112.8	D21 I22 F28 E29 H30 R83 V86	D21-P26 WeakPolarHBondContact O-CD 3.43Å; I22-P26 VanDerWaalsContact O-CD 3.29Å; I22-P26 WeakPolarHBondContact O-CD 3.31Å; I22-P26 VanDerWaalsContact O-CG 3.3Å; I22-P26 WeakPolarHBondContact O-CG 3.44Å; P26-F28 VanDerWaalsContact C-N 3.35Å; P26-E29 PolarHBondContact O-N 3.36Å; P26-H30 WeakPolarHBondContact O-CB 3.41Å; P26-H30 PolarHBondContact O-CD2 3.32Å; P26-H30 PolarHBondContact O-N 2.95Å; P26-R83 VanDerWaalsContact CB-NH2 3.27Å; P26-V86 HydrophobicContact CB-CG2 3.8Å; P26-V86 HydrophobicContact CG-CG1 4.18Å; P26-V86 HydrophobicContact CG-CG2 3.59Å
27	F	97.2	Very high	96.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-45.7	173.2	177.6	-93.7	0	0	0	110.9	S23 I24 M25 E31 Y32 L35 F43 M72 L75 I76 R79	S23-F27 WeakPolarHBondContact O-CB 3.45Å; I24-F27 PolarHBondContact O-N 2.74Å; M25-F27 VanDerWaalsContact C-N 3.28Å; M25-F27 PolarHBondContact O-N 3.13Å; F27-E31 HydrophobicContact CD2-CB 3.92Å; F27-E31 HydrophobicContact CD2-CG 3.76Å; F27-E31 HydrophobicContact CE2-CB 3.85Å; F27-E31 HydrophobicContact CE2-CG 4.01Å; F27-E31 HydrophobicContact CG-CB 4.38Å; F27-E31 HydrophobicContact CG-CG 4.42Å; F27-E31 HydrophobicContact CZ-CB 4.22Å; F27-E31 WeakPolarHBondContact O-CA 3.48Å; F27-E31 WeakPolarHBondContact O-CB 3.34Å; F27-E31 PolarHBondContact O-N 3.25Å; F27-Y32 PolarHBondContact O-N 2.7Å; F27-L35 HydrophobicContact CE1-CD1 4.14Å; F27-L35 HydrophobicContact CZ-CD1 4.3Å; F27-L35 HydrophobicContact CZ-CD2 4.26Å; F27-F43 AromaticContact CD1-CD2 3.98Å; F27-F43 HydrophobicContact CD1-CD2 3.98Å; F27-F43 AromaticContact CD1-CE2 3.49Å; F27-F43 HydrophobicContact CD1-CE2 3.49Å; F27-F43 VanDerWaalsContact CD1-CE2 3.49Å; F27-F43 HydrophobicContact CD1-CZ 4.02Å; F27-F43 AromaticContact CE1-CD2 3.66Å; F27-F43 HydrophobicContact CE1-CD2 3.66Å; F27-F43 AromaticContact CE1-CE2 3.7Å; F27-F43 HydrophobicContact CE1-CE2 3.7Å; F27-F43 HydrophobicContact CE1-CG 4.4Å; F27-F43 HydrophobicContact CE1-CZ 4.44Å; F27-M72 HydrophobicContact CE1-SD 4.21Å; F27-M72 HydrophobicContact CZ-SD 4.13Å; F27-L75 HydrophobicContact CE2-CG 4.21Å; F27-L75 HydrophobicContact CZ-CD2 4.25Å; F27-L75 HydrophobicContact CZ-CG 4.2Å; F27-I76 HydrophobicContact CB-CG1 4.5Å; F27-I76 HydrophobicContact CB-CG2 4.19Å; F27-I76 HydrophobicContact CD1-CD1 4.38Å; F27-I76 HydrophobicContact CD1-CG1 3.68Å; F27-I76 HydrophobicContact CD2-CB 4.1Å; F27-I76 HydrophobicContact CD2-CG1 3.84Å; F27-I76 HydrophobicContact CD2-CG2 4.31Å; F27-I76 HydrophobicContact CE1-CD1 4.45Å; F27-I76 HydrophobicContact CE1-CG1 3.69Å; F27-I76 HydrophobicContact CE2-CB 4.31Å; F27-I76 HydrophobicContact CE2-CG1 3.84Å; F27-I76 HydrophobicContact CG-CB 4.28Å; F27-I76 HydrophobicContact CG-CG1 3.73Å; F27-I76 HydrophobicContact CG-CG2 4.21Å; F27-I76 HydrophobicContact CZ-CG1 3.77Å; F27-R79 HydrophobicContact CD2-CB 3.94Å; F27-R79 HydrophobicContact CD2-CG 4.35Å; F27-R79 HydrophobicContact CE2-CB 3.96Å; F27-R79 HydrophobicContact CE2-CG 3.85Å
28	F	97.6	Very high	96.4	Very high	17 Å²	17	54.4 Å²	54.4	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-49.2	175.6	171.4	-99.1	0	0	0	111.9	K6 I9 H10 C13 I24 M25 P26 H30 Y32 F43	K6-F28 HydrophobicContact CB-CZ 4.19Å; K6-F28 HydrophobicContact CG-CZ 4.47Å; K6-F28 WeakPolarHBondContact O-CZ 3.21Å; I9-F28 HydrophobicContact CB-CD2 4.39Å; I9-F28 HydrophobicContact CB-CE2 3.71Å; I9-F28 HydrophobicContact CB-CZ 4.18Å; I9-F28 HydrophobicContact CG2-CD2 3.52Å; I9-F28 HydrophobicContact CG2-CE2 3.3Å; I9-F28 HydrophobicContact CG2-CZ 4.18Å; H10-F28 HydrophobicContact CB-CD1 4.16Å; H10-F28 HydrophobicContact CB-CE1 3.45Å; H10-F28 VanDerWaalsContact CB-CE1 3.45Å; H10-F28 HydrophobicContact CB-CZ 3.94Å; H10-F28 AromaticContact CD2-CE1 3.67Å; H10-F28 AromaticContact CG-CE1 3.92Å; C13-F28 VanDerWaalsContact SG-CB 3.59Å; I24-F28 PolarHBondContact O-N 3.47Å; M25-F28 WeakPolarHBondContact O-CB 3.34Å; M25-F28 PolarHBondContact O-N 3.37Å; M25-F28 VanDerWaalsContact O-N 3.09Å; P26-F28 VanDerWaalsContact C-N 3.35Å; F28-H30 VanDerWaalsContact C-N 3.32Å; F28-H30 PolarHBondContact O-N 3.47Å; F28-Y32 HydrophobicContact CD2-CD1 4.24Å; F28-Y32 AromaticContact CD2-CD2 3.71Å; F28-Y32 HydrophobicContact CD2-CD2 3.71Å; F28-Y32 HydrophobicContact CD2-CE2 4.45Å; F28-Y32 AromaticContact CD2-CG 3.59Å; F28-Y32 HydrophobicContact CD2-CG 3.59Å; F28-Y32 AromaticContact CE2-CD1 3.72Å; F28-Y32 HydrophobicContact CE2-CD1 3.72Å; F28-Y32 AromaticContact CE2-CD2 3.91Å; F28-Y32 HydrophobicContact CE2-CD2 3.91Å; F28-Y32 HydrophobicContact CE2-CE1 4.21Å; F28-Y32 HydrophobicContact CE2-CE2 4.39Å; F28-Y32 AromaticContact CE2-CG 3.57Å; F28-Y32 HydrophobicContact CE2-CG 3.57Å; F28-Y32 WeakPolarHBondContact O-CB 3.33Å; F28-Y32 PolarHBondContact O-N 2.81Å; F28-F43 HydrophobicContact CB-CE1 4.24Å; F28-F43 HydrophobicContact CB-CZ 4.08Å; F28-F43 AromaticContact CD2-CE1 3.96Å; F28-F43 HydrophobicContact CD2-CE1 3.96Å
29	E	96	Very high	96.6	Very high	108 Å²	108	49.3 Å²	49.3	51%	0.505	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-33.6	-175.8	-70.6	176.5	150.1	0	0	113.4	H10 M25 P26	H10-E29 IonicContact NE2-OE1 3.92Å; M25-E29 HydrophobicContact CG-CG 4.29Å; M25-E29 WeakPolarHBondContact O-CG 3.35Å; M25-E29 PolarHBondContact O-N 3.18Å; M25-E29 HydrophobicContact SD-CG 4.22Å; P26-E29 PolarHBondContact O-N 3.36Å
30	H	95.5	Very high	96.8	Very high	112 Å²	112	46.3 Å²	46.3	52%	0.519	25%	0.246	S	C	.	.	H	α-helix	trans	-102.3	-32.6	-174.6	-66.2	-65.2	0	0	0	114.4	P26 F28	P26-H30 WeakPolarHBondContact O-CB 3.41Å; P26-H30 PolarHBondContact O-CD2 3.32Å; P26-H30 PolarHBondContact O-N 2.95Å; F28-H30 VanDerWaalsContact C-N 3.32Å; F28-H30 PolarHBondContact O-N 3.47Å
31	E	96.1	Very high	96.9	Very high	33 Å²	33	51.9 Å²	51.9	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-112.2	-23.1	-167.1	-51.3	-62.2	151.2	0	0	113.2	F27 D33 S34 L35 R79	F27-E31 HydrophobicContact CD2-CB 3.92Å; F27-E31 HydrophobicContact CD2-CG 3.76Å; F27-E31 HydrophobicContact CE2-CB 3.85Å; F27-E31 HydrophobicContact CE2-CG 4.01Å; F27-E31 HydrophobicContact CG-CB 4.38Å; F27-E31 HydrophobicContact CG-CG 4.42Å; F27-E31 HydrophobicContact CZ-CB 4.22Å; F27-E31 WeakPolarHBondContact O-CA 3.48Å; F27-E31 WeakPolarHBondContact O-CB 3.34Å; F27-E31 PolarHBondContact O-N 3.25Å; E31-D33 PolarHBondContact O-N 3.36Å; E31-D33 VanDerWaalsContact O-N 3.08Å; E31-S34 WeakPolarHBondContact O-CB 3.45Å; E31-S34 PolarHBondContact O-N 3.14Å; E31-S34 PolarHBondContact O-OG 3.4Å; E31-L35 PolarHBondContact O-N 3.37Å; E31-R79 HydrophobicContact CG-CB 3.83Å; E31-R79 HydrophobicContact CG-CG 4.06Å; E31-R79 IonicContact OE2-NE 3.37Å
32	Y	97.5	Very high	97	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.012	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-56.4	-35.2	-170.9	-173.6	-98.4	0	0	0	113.3	I3 K6 I9 F27 F28 S34 L35 K40 F43	I3-Y32 VanDerWaalsContact CA-OH 3.3Å; I3-Y32 WeakPolarHBondContact CA-OH 3.45Å; I3-Y32 WeakPolarHBondContact O-CE1 3.29Å; I3-Y32 PolarHBondContact O-OH 3.3Å; K6-Y32 HydrophobicContact CG-CE1 4.36Å; I9-Y32 HydrophobicContact CD1-CE1 3.92Å; I9-Y32 HydrophobicContact CD1-CE2 4.22Å; I9-Y32 WeakPolarHBondContact CD1-OH 3.16Å; I9-Y32 HydrophobicContact CG2-CE2 4.29Å; F27-Y32 PolarHBondContact O-N 2.7Å; F28-Y32 HydrophobicContact CD2-CD1 4.24Å; F28-Y32 AromaticContact CD2-CD2 3.71Å; F28-Y32 HydrophobicContact CD2-CD2 3.71Å; F28-Y32 HydrophobicContact CD2-CE2 4.45Å; F28-Y32 AromaticContact CD2-CG 3.59Å; F28-Y32 HydrophobicContact CD2-CG 3.59Å; F28-Y32 AromaticContact CE2-CD1 3.72Å; F28-Y32 HydrophobicContact CE2-CD1 3.72Å; F28-Y32 AromaticContact CE2-CD2 3.91Å; F28-Y32 HydrophobicContact CE2-CD2 3.91Å; F28-Y32 HydrophobicContact CE2-CE1 4.21Å; F28-Y32 HydrophobicContact CE2-CE2 4.39Å; F28-Y32 AromaticContact CE2-CG 3.57Å; F28-Y32 HydrophobicContact CE2-CG 3.57Å; F28-Y32 WeakPolarHBondContact O-CB 3.33Å; F28-Y32 PolarHBondContact O-N 2.81Å; Y32-S34 VanDerWaalsContact C-N 3.31Å; Y32-S34 PolarHBondContact O-N 2.97Å; Y32-L35 HydrophobicContact CD2-CD1 4.15Å; Y32-L35 WeakPolarHBondContact O-CB 3.32Å; Y32-L35 PolarHBondContact O-N 2.69Å; Y32-K40 HydrophobicContact CD2-CG 4.38Å; Y32-K40 HydrophobicContact CE1-CD 4Å; Y32-K40 HydrophobicContact CE1-CG 4.21Å; Y32-K40 HydrophobicContact CE2-CB 4.06Å; Y32-K40 HydrophobicContact CE2-CD 4.44Å; Y32-K40 HydrophobicContact CE2-CG 3.75Å; Y32-K40 WeakPolarHBondContact O-CE 3.41Å; Y32-F43 AromaticContact CD2-CD1 3.77Å; Y32-F43 HydrophobicContact CD2-CD1 3.77Å; Y32-F43 HydrophobicContact CD2-CE1 4.1Å; Y32-F43 AromaticContact CE2-CD1 3.78Å; Y32-F43 HydrophobicContact CE2-CD1 3.78Å; Y32-F43 HydrophobicContact CE2-CE1 4.41Å
33	D	96.4	Very high	97.2	Very high	105 Å²	105	46.2 Å²	46.2	56%	0.561	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-72.8	-23	178.6	-80.5	-30	0	0	0	114.5	K6 E31 L35	K6-D33 WeakPolarHBondContact CE-OD1 3.24Å; K6-D33 IonicContact NZ-OD1 3.75Å; K6-D33 PolarHBondContact NZ-OD1 2.81Å; K6-D33 IonicContact NZ-OD2 2.59Å; K6-D33 PolarHBondContact NZ-OD2 3.38Å; E31-D33 PolarHBondContact O-N 3.36Å; E31-D33 VanDerWaalsContact O-N 3.08Å; D33-L35 VanDerWaalsContact C-N 3.34Å
34	S	96.4	Very high	97.3	Very high	78 Å²	78	45.6 Å²	45.6	55%	0.545	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-81.7	-16.4	176	77.1	0	0	0	0	113.2	E31 Y32	E31-S34 WeakPolarHBondContact O-CB 3.45Å; E31-S34 PolarHBondContact O-N 3.14Å; E31-S34 PolarHBondContact O-OG 3.4Å; Y32-S34 VanDerWaalsContact C-N 3.31Å; Y32-S34 PolarHBondContact O-N 2.97Å
35	L	97.6	Very high	97.3	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.058	25%	0.249	C	C	.	.	S	Bend	trans	-69.3	141.2	-179.8	-61.5	-174.8	0	0	0	111.6	F27 E31 Y32 D33 E39 K40 F43 L75	F27-L35 HydrophobicContact CE1-CD1 4.14Å; F27-L35 HydrophobicContact CZ-CD1 4.3Å; F27-L35 HydrophobicContact CZ-CD2 4.26Å; E31-L35 PolarHBondContact O-N 3.37Å; Y32-L35 HydrophobicContact CD2-CD1 4.15Å; Y32-L35 WeakPolarHBondContact O-CB 3.32Å; Y32-L35 PolarHBondContact O-N 2.69Å; D33-L35 VanDerWaalsContact C-N 3.34Å; L35-E39 HydrophobicContact CB-CB 3.89Å; L35-E39 HydrophobicContact CD1-CB 4.36Å; L35-E39 HydrophobicContact CD2-CB 4.12Å; L35-E39 HydrophobicContact CG-CB 4.33Å; L35-K40 HydrophobicContact CB-CG 3.74Å; L35-K40 HydrophobicContact CD1-CG 4.39Å; L35-K40 VanDerWaalsContact O-CE 3.23Å; L35-K40 WeakPolarHBondContact O-CE 3.45Å; L35-K40 PolarHBondContact O-NZ 3.08Å; L35-F43 HydrophobicContact CD1-CB 4.4Å; L35-L75 HydrophobicContact CD2-CD2 3.74Å
36	S	98	Very high	97.4	Very high	55 Å²	55	48.7 Å²	48.7	39%	0.385	24%	0.243	S	C	.	.			trans	-62	161	164	64.1	0	0	0	0	111.4	D38 E39 K40	S36-D38 PolarHBondContact O-N 2.93Å; S36-E39 WeakPolarHBondContact CB-OE2 3.3Å; S36-E39 PolarHBondContact N-OE2 3.47Å; S36-E39 PolarHBondContact O-N 2.89Å; S36-E39 WeakPolarHBondContact OG-CB 3.29Å; S36-E39 VanDerWaalsContact OG-CD 3.28Å; S36-E39 VanDerWaalsContact OG-CG 3.27Å; S36-E39 WeakPolarHBondContact OG-CG 3.2Å; S36-E39 PolarHBondContact OG-N 3.43Å; S36-E39 PolarHBondContact OG-OE2 3.34Å; S36-K40 WeakPolarHBondContact O-CG 3.36Å; S36-K40 PolarHBondContact O-N 3.48Å
37	D	98	Very high	97.5	Very high	85 Å²	85	48.8 Å²	48.8	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-59.8	-33.9	178.7	-76.2	2.2	0	0	0	112.7	I3 R41	I3-D37 HydrophobicContact CD1-CB 3.93Å; D37-R41 VanDerWaalsContact O-CG 3.31Å; D37-R41 WeakPolarHBondContact O-CG 3.3Å; D37-R41 PolarHBondContact O-N 3.33Å; D37-R41 VanDerWaalsContact O-N 3.08Å
38	D	98	Very high	97.5	Very high	106 Å²	106	54.6 Å²	54.6	57%	0.567	27%	0.27	S	S	*	.	H	α-helix	trans	-69.1	-45.7	175.9	-69.8	-31.5	0	0	0	111.4	S36 K40 R41 I42	S36-D38 PolarHBondContact O-N 2.93Å; D38-K40 VanDerWaalsContact C-N 3.3Å; D38-K40 PolarHBondContact O-N 2.91Å; D38-R41 WeakPolarHBondContact O-CB 3.2Å; D38-R41 PolarHBondContact O-N 3.26Å; D38-R41 VanDerWaalsContact O-N 3.13Å; D38-R41 IonicContact OD1-CZ 2.67Å; D38-R41 IonicContact OD1-NH1 3.78Å; D38-R41 PolarHBondContact OD1-NH1 3.26Å; D38-I42 VanDerWaalsContact O-CG1 3.3Å; D38-I42 WeakPolarHBondContact O-CG1 3.23Å; D38-I42 PolarHBondContact O-N 3.46Å
39	E	98.3	Very high	97.5	Very high	53 Å²	53	55 Å²	55	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-39.5	174.4	-74	165.6	138.5	0	0	111.8	L35 S36 R41 I42 F43 M72	L35-E39 HydrophobicContact CB-CB 3.89Å; L35-E39 HydrophobicContact CD1-CB 4.36Å; L35-E39 HydrophobicContact CD2-CB 4.12Å; L35-E39 HydrophobicContact CG-CB 4.33Å; S36-E39 WeakPolarHBondContact CB-OE2 3.3Å; S36-E39 PolarHBondContact N-OE2 3.47Å; S36-E39 PolarHBondContact O-N 2.89Å; S36-E39 WeakPolarHBondContact OG-CB 3.29Å; S36-E39 VanDerWaalsContact OG-CD 3.28Å; S36-E39 VanDerWaalsContact OG-CG 3.27Å; S36-E39 WeakPolarHBondContact OG-CG 3.2Å; S36-E39 PolarHBondContact OG-N 3.43Å; S36-E39 PolarHBondContact OG-OE2 3.34Å; E39-R41 VanDerWaalsContact C-N 3.35Å; E39-R41 PolarHBondContact O-N 3.3Å; E39-I42 PolarHBondContact O-N 2.92Å; E39-F43 WeakPolarHBondContact O-CB 3.35Å; E39-F43 PolarHBondContact O-N 2.96Å; E39-M72 HydrophobicContact CB-CE 3.94Å; E39-M72 HydrophobicContact CG-CE 4.37Å; E39-M72 WeakPolarHBondContact O-CE 3.43Å
40	K	98.5	Very high	97.5	Very high	25 Å²	25	55.5 Å²	55.5	11%	0.109	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-41.9	174.1	-71.8	175.7	178.4	159	0	112.1	I3 Y32 L35 S36 D38 I42 F43 I44	I3-K40 HydrophobicContact CB-CB 3.93Å; I3-K40 HydrophobicContact CB-CD 4.33Å; I3-K40 HydrophobicContact CG2-CB 3.68Å; Y32-K40 HydrophobicContact CD2-CG 4.38Å; Y32-K40 HydrophobicContact CE1-CD 4Å; Y32-K40 HydrophobicContact CE1-CG 4.21Å; Y32-K40 HydrophobicContact CE2-CB 4.06Å; Y32-K40 HydrophobicContact CE2-CD 4.44Å; Y32-K40 HydrophobicContact CE2-CG 3.75Å; Y32-K40 WeakPolarHBondContact O-CE 3.41Å; L35-K40 HydrophobicContact CB-CG 3.74Å; L35-K40 HydrophobicContact CD1-CG 4.39Å; L35-K40 VanDerWaalsContact O-CE 3.23Å; L35-K40 WeakPolarHBondContact O-CE 3.45Å; L35-K40 PolarHBondContact O-NZ 3.08Å; S36-K40 WeakPolarHBondContact O-CG 3.36Å; S36-K40 PolarHBondContact O-N 3.48Å; D38-K40 VanDerWaalsContact C-N 3.3Å; D38-K40 PolarHBondContact O-N 2.91Å; K40-I42 VanDerWaalsContact C-N 3.34Å; K40-F43 PolarHBondContact O-N 2.85Å; K40-I44 WeakPolarHBondContact O-CG1 3.26Å; K40-I44 PolarHBondContact O-N 3.31Å
41	R	98.2	Very high	97.6	Very high	116 Å²	116	52.5 Å²	52.5	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-42.4	175.6	-70.7	171.2	-166.9	110.6	11.1	111.2	I3 D37 D38 E39 I44 R45	I3-R41 HydrophobicContact CG2-CG 3.78Å; D37-R41 VanDerWaalsContact O-CG 3.31Å; D37-R41 WeakPolarHBondContact O-CG 3.3Å; D37-R41 PolarHBondContact O-N 3.33Å; D37-R41 VanDerWaalsContact O-N 3.08Å; D38-R41 WeakPolarHBondContact O-CB 3.2Å; D38-R41 PolarHBondContact O-N 3.26Å; D38-R41 VanDerWaalsContact O-N 3.13Å; D38-R41 IonicContact OD1-CZ 2.67Å; D38-R41 IonicContact OD1-NH1 3.78Å; D38-R41 PolarHBondContact OD1-NH1 3.26Å; E39-R41 VanDerWaalsContact C-N 3.35Å; E39-R41 PolarHBondContact O-N 3.3Å; R41-I44 PolarHBondContact O-N 3.12Å; R41-R45 WeakPolarHBondContact O-CG 3.31Å; R41-R45 PolarHBondContact O-N 3.01Å
42	I	98.4	Very high	97.7	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.051	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-43.5	178.1	-62	162.9	0	0	0	110.6	D38 E39 K40 I44 R45 L46 E68 L69 M71 M72	D38-I42 VanDerWaalsContact O-CG1 3.3Å; D38-I42 WeakPolarHBondContact O-CG1 3.23Å; D38-I42 PolarHBondContact O-N 3.46Å; E39-I42 PolarHBondContact O-N 2.92Å; K40-I42 VanDerWaalsContact C-N 3.34Å; I42-I44 VanDerWaalsContact C-N 3.32Å; I42-I44 PolarHBondContact O-N 3.39Å; I42-R45 WeakPolarHBondContact O-CB 3.38Å; I42-R45 PolarHBondContact O-N 3.44Å; I42-L46 PolarHBondContact O-N 2.77Å; I42-E68 HydrophobicContact CD1-CB 3.93Å; I42-E68 HydrophobicContact CD1-CG 4.23Å; I42-E68 HydrophobicContact CG1-CB 4.05Å; I42-E68 HydrophobicContact CG2-CB 4Å; I42-E68 VanDerWaalsContact CG2-O 3.29Å; I42-E68 WeakPolarHBondContact CG2-O 3.29Å; I42-L69 HydrophobicContact CG2-CD2 4.3Å; I42-M71 HydrophobicContact CD1-CE 3.69Å; I42-M72 HydrophobicContact CB-CE 4.09Å; I42-M72 HydrophobicContact CG2-CB 3.66Å; I42-M72 HydrophobicContact CG2-CE 4.14Å; I42-M72 HydrophobicContact CG2-CG 4.23Å
43	F	98.5	Very high	97.7	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-44	175.9	-178.3	-107.1	0	0	0	111.6	I9 I24 F27 F28 Y32 L35 E39 K40 R45 L46 L47 M72 I76	I9-F43 HydrophobicContact CG2-CD1 4.29Å; I9-F43 HydrophobicContact CG2-CE1 3.93Å; I24-F43 HydrophobicContact CG2-CE2 4.32Å; I24-F43 HydrophobicContact CG2-CZ 3.97Å; F27-F43 AromaticContact CD1-CD2 3.98Å; F27-F43 HydrophobicContact CD1-CD2 3.98Å; F27-F43 AromaticContact CD1-CE2 3.49Å; F27-F43 HydrophobicContact CD1-CE2 3.49Å; F27-F43 VanDerWaalsContact CD1-CE2 3.49Å; F27-F43 HydrophobicContact CD1-CZ 4.02Å; F27-F43 AromaticContact CE1-CD2 3.66Å; F27-F43 HydrophobicContact CE1-CD2 3.66Å; F27-F43 AromaticContact CE1-CE2 3.7Å; F27-F43 HydrophobicContact CE1-CE2 3.7Å; F27-F43 HydrophobicContact CE1-CG 4.4Å; F27-F43 HydrophobicContact CE1-CZ 4.44Å; F28-F43 HydrophobicContact CB-CE1 4.24Å; F28-F43 HydrophobicContact CB-CZ 4.08Å; F28-F43 AromaticContact CD2-CE1 3.96Å; F28-F43 HydrophobicContact CD2-CE1 3.96Å; Y32-F43 AromaticContact CD2-CD1 3.77Å; Y32-F43 HydrophobicContact CD2-CD1 3.77Å; Y32-F43 HydrophobicContact CD2-CE1 4.1Å; Y32-F43 AromaticContact CE2-CD1 3.78Å; Y32-F43 HydrophobicContact CE2-CD1 3.78Å; Y32-F43 HydrophobicContact CE2-CE1 4.41Å; L35-F43 HydrophobicContact CD1-CB 4.4Å; E39-F43 WeakPolarHBondContact O-CB 3.35Å; E39-F43 PolarHBondContact O-N 2.96Å; K40-F43 PolarHBondContact O-N 2.85Å; F43-R45 PolarHBondContact O-N 3.2Å; F43-L46 WeakPolarHBondContact O-CB 3.44Å; F43-L46 PolarHBondContact O-N 2.74Å; F43-L46 VanDerWaalsContact O-N 3.17Å; F43-L47 HydrophobicContact CD1-CD1 4.14Å; F43-L47 HydrophobicContact CD1-CG 4.43Å; F43-L47 HydrophobicContact CE1-CD1 3.67Å; F43-L47 HydrophobicContact CE1-CD2 4.42Å; F43-L47 HydrophobicContact CE1-CG 4.11Å; F43-L47 HydrophobicContact CZ-CD1 4.19Å; F43-L47 HydrophobicContact CZ-CD2 4.12Å; F43-L47 HydrophobicContact CZ-CG 4.27Å; F43-L47 WeakPolarHBondContact O-CG 3.3Å; F43-L47 PolarHBondContact O-N 3.04Å; F43-M72 HydrophobicContact CB-CE 4.15Å; F43-M72 HydrophobicContact CB-CG 4.39Å; F43-M72 HydrophobicContact CB-SD 4.01Å; F43-M72 HydrophobicContact CD2-CG 4.28Å; F43-M72 HydrophobicContact CD2-SD 4.03Å; F43-I76 HydrophobicContact CD2-CD1 4.14Å; F43-I76 HydrophobicContact CE2-CD1 3.96Å
44	I	98.1	Very high	97.8	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-42.6	175.3	-75.6	177.1	0	0	0	112	M1 I3 I9 K40 R41 I42 L46 L47 E48	M1-I44 HydrophobicContact CB-CD1 4.35Å; M1-I44 HydrophobicContact CB-CG2 3.65Å; M1-I44 HydrophobicContact CG-CD1 4.27Å; M1-I44 HydrophobicContact CG-CG2 4.48Å; I3-I44 HydrophobicContact CB-CD1 4.37Å; I3-I44 HydrophobicContact CG2-CD1 3.89Å; I9-I44 HydrophobicContact CD1-CD1 3.95Å; I9-I44 HydrophobicContact CD1-CG1 4.46Å; I9-I44 HydrophobicContact CG1-CD1 4Å; I9-I44 HydrophobicContact CG1-CG1 4.19Å; K40-I44 WeakPolarHBondContact O-CG1 3.26Å; K40-I44 PolarHBondContact O-N 3.31Å; R41-I44 PolarHBondContact O-N 3.12Å; I42-I44 VanDerWaalsContact C-N 3.32Å; I42-I44 PolarHBondContact O-N 3.39Å; I44-L46 VanDerWaalsContact C-N 3.29Å; I44-L46 PolarHBondContact O-N 3.08Å; I44-L47 WeakPolarHBondContact O-CB 3.44Å; I44-L47 PolarHBondContact O-N 3.37Å; I44-L47 VanDerWaalsContact O-N 3.11Å; I44-E48 PolarHBondContact O-N 3.45Å
45	R	97.8	Very high	97.8	Very high	93 Å²	93	52.1 Å²	52.1	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-37.7	174.7	-73.4	172.1	60.8	-146.5	-6	111.8	R41 I42 F43 L47 E48 D66 E68 L69	R41-R45 WeakPolarHBondContact O-CG 3.31Å; R41-R45 PolarHBondContact O-N 3.01Å; I42-R45 WeakPolarHBondContact O-CB 3.38Å; I42-R45 PolarHBondContact O-N 3.44Å; F43-R45 PolarHBondContact O-N 3.2Å; R45-L47 VanDerWaalsContact C-N 3.28Å; R45-L47 PolarHBondContact O-N 2.93Å; R45-E48 WeakPolarHBondContact O-CB 3.38Å; R45-E48 PolarHBondContact O-N 2.89Å; R45-E48 VanDerWaalsContact O-N 3.07Å; R45-D66 IonicContact CZ-OD2 2.7Å; R45-D66 IonicContact NH2-OD2 3.81Å; R45-D66 PolarHBondContact NH2-OD2 3.46Å; R45-E68 IonicContact CZ-OE2 2.63Å; R45-E68 IonicContact NH1-OE2 2.69Å; R45-E68 PolarHBondContact NH1-OE2 3.36Å; R45-L69 HydrophobicContact CB-CD2 4.3Å
46	L	98.3	Very high	97.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-39.5	173	-171.9	71	0	0	0	110.8	I42 F43 I44 E48 C49 L54 W57 L69 M72 V73 I76	I42-L46 PolarHBondContact O-N 2.77Å; F43-L46 WeakPolarHBondContact O-CB 3.44Å; F43-L46 PolarHBondContact O-N 2.74Å; F43-L46 VanDerWaalsContact O-N 3.17Å; I44-L46 VanDerWaalsContact C-N 3.29Å; I44-L46 PolarHBondContact O-N 3.08Å; L46-E48 PolarHBondContact O-N 3.15Å; L46-C49 WeakPolarHBondContact O-CB 2.94Å; L46-C49 PolarHBondContact O-N 3.4Å; L46-C49 VanDerWaalsContact O-N 3.09Å; L46-L54 HydrophobicContact CD1-CD2 3.62Å; L46-L54 HydrophobicContact CD2-CD2 4.49Å; L46-L54 HydrophobicContact CG-CD2 3.69Å; L46-L54 WeakPolarHBondContact O-CD2 3.48Å; L46-W57 HydrophobicContact CD1-CE3 4.05Å; L46-W57 HydrophobicContact CD1-CZ3 3.98Å; L46-L69 HydrophobicContact CB-CD2 4.03Å; L46-L69 HydrophobicContact CD1-CB 4.39Å; L46-L69 HydrophobicContact CD1-CD2 4.1Å; L46-M72 HydrophobicContact CD2-CB 4.48Å; L46-M72 HydrophobicContact CD2-CG 3.85Å; L46-V73 HydrophobicContact CD1-CG2 3.95Å; L46-V73 HydrophobicContact CD2-CG2 4.26Å; L46-I76 HydrophobicContact CD2-CD1 3.46Å; L46-I76 VanDerWaalsContact CD2-CD1 3.46Å
47	L	97.9	Very high	97.9	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-15.4	175.1	-63.8	-178.6	0	0	0	114	I9 A12 R15 I24 F43 I44 R45 C49	I9-L47 HydrophobicContact CG2-CD1 3.78Å; A12-L47 HydrophobicContact CB-CB 4.42Å; A12-L47 HydrophobicContact CB-CD1 4Å; R15-L47 PolarHBondContact NH1-O 3.39Å; R15-L47 PolarHBondContact NH2-O 3.13Å; I24-L47 HydrophobicContact CG2-CD2 3.62Å; F43-L47 HydrophobicContact CD1-CD1 4.14Å; F43-L47 HydrophobicContact CD1-CG 4.43Å; F43-L47 HydrophobicContact CE1-CD1 3.67Å; F43-L47 HydrophobicContact CE1-CD2 4.42Å; F43-L47 HydrophobicContact CE1-CG 4.11Å; F43-L47 HydrophobicContact CZ-CD1 4.19Å; F43-L47 HydrophobicContact CZ-CD2 4.12Å; F43-L47 HydrophobicContact CZ-CG 4.27Å; F43-L47 WeakPolarHBondContact O-CG 3.3Å; F43-L47 PolarHBondContact O-N 3.04Å; I44-L47 WeakPolarHBondContact O-CB 3.44Å; I44-L47 PolarHBondContact O-N 3.37Å; I44-L47 VanDerWaalsContact O-N 3.11Å; R45-L47 VanDerWaalsContact C-N 3.28Å; R45-L47 PolarHBondContact O-N 2.93Å; L47-C49 VanDerWaalsContact C-N 3.34Å
48	E	96.7	Very high	97.8	Very high	123 Å²	123	49.9 Å²	49.9	58%	0.575	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-8.3	174.7	-66.6	170.5	175.8	0	0	112.5	I44 R45 L46	I44-E48 PolarHBondContact O-N 3.45Å; R45-E48 WeakPolarHBondContact O-CB 3.38Å; R45-E48 PolarHBondContact O-N 2.89Å; R45-E48 VanDerWaalsContact O-N 3.07Å; L46-E48 PolarHBondContact O-N 3.15Å
49	C	97.6	Very high	97.7	Very high	26 Å²	26	47.8 Å²	47.8	18%	0.176	23%	0.233	C	C	.	.	S	Bend	trans	-77.7	155.7	174.7	-58.4	0	0	0	0	112	R15 L46 L47 L54 W57	R15-C49 PolarHBondContact NH2-O 3.13Å; L46-C49 WeakPolarHBondContact O-CB 2.94Å; L46-C49 PolarHBondContact O-N 3.4Å; L46-C49 VanDerWaalsContact O-N 3.09Å; L47-C49 VanDerWaalsContact C-N 3.34Å; C49-L54 HydrophobicContact CB-CD1 4.46Å; C49-L54 HydrophobicContact CB-CD2 4Å; C49-L54 HydrophobicContact CB-CG 4.06Å; C49-L54 WeakPolarHBondContact O-CD1 3.45Å; C49-W57 HydrophobicContact CB-CH2 4.31Å; C49-W57 HydrophobicContact CB-CZ3 3.98Å
50	D	96.7	Very high	97.6	Very high	118 Å²	118	50.9 Å²	50.9	63%	0.631	25%	0.251	S	S	*	.			trans	-74.7	149.8	180	-66.9	-36.1	0	0	0	112.3	P52 D53 L54	D50-P52 VanDerWaalsContact C-CD 3.48Å; D50-D53 PolarHBondContact O-N 3.49Å; D50-D53 VanDerWaalsContact O-N 3.15Å; D50-L54 WeakPolarHBondContact O-CG 2.93Å; D50-L54 PolarHBondContact O-N 3.36Å; D50-L54 VanDerWaalsContact O-N 3.11Å
51	D	97.2	Very high	97.5	Very high	49 Å²	49	55.4 Å²	55.4	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-56.7	-40	-175.9	-66.9	-12.3	0	0	0	114.7	R15 M17 L20 D53 L54 F55	R15-D51 VanDerWaalsContact CD-OD1 3.29Å; R15-D51 WeakPolarHBondContact CD-OD1 3.33Å; R15-D51 IonicContact CZ-OD1 3.69Å; R15-D51 IonicContact NE-OD1 3.55Å; R15-D51 IonicContact NH1-OD1 3.6Å; M17-D51 HydrophobicContact CE-CB 4.45Å; L20-D51 HydrophobicContact CD1-CB 3.7Å; D51-D53 VanDerWaalsContact C-N 3.32Å; D51-D53 PolarHBondContact O-N 3.15Å; D51-L54 PolarHBondContact O-N 2.92Å; D51-F55 VanDerWaalsContact O-CB 3.3Å; D51-F55 WeakPolarHBondContact O-CB 3.03Å; D51-F55 PolarHBondContact O-N 2.67Å
52	P	97.3	Very high	97.4	Very high	82 Å²	82	52.5 Å²	52.5	53%	0.532	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-38.7	176.9	-24.8	36.1	0	0	0	113.4	D50 N56	D50-P52 VanDerWaalsContact C-CD 3.48Å; P52-N56 WeakPolarHBondContact O-CB 3.41Å; P52-N56 VanDerWaalsContact O-CG 3.24Å; P52-N56 PolarHBondContact O-N 3.26Å; P52-N56 PolarHBondContact O-ND2 3.2Å; P52-N56 VanDerWaalsContact O-ND2 3.13Å
53	D	97.6	Very high	97.2	Very high	70 Å²	70	58.3 Å²	58.3	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-71.2	-45.6	179.5	-74.7	-25.1	0	0	0	110.8	D50 D51 F55 N56 W57	D50-D53 PolarHBondContact O-N 3.49Å; D50-D53 VanDerWaalsContact O-N 3.15Å; D51-D53 VanDerWaalsContact C-N 3.32Å; D51-D53 PolarHBondContact O-N 3.15Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 PolarHBondContact O-N 3.26Å; D53-N56 PolarHBondContact O-N 3.08Å; D53-W57 HydrophobicContact CB-CD2 4.43Å; D53-W57 HydrophobicContact CB-CE3 4.49Å; D53-W57 HydrophobicContact CB-CH2 3.84Å; D53-W57 HydrophobicContact CB-CZ2 3.75Å; D53-W57 HydrophobicContact CB-CZ3 4.22Å; D53-W57 PolarHBondContact O-N 3.4Å
54	L	98.1	Very high	97.2	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-43.2	175.4	-68.1	173.7	0	0	0	111.9	L20 I24 L46 C49 D50 D51 W57 L58	L20-L54 HydrophobicContact CD1-CB 4.3Å; L20-L54 HydrophobicContact CD2-CB 3.8Å; I24-L54 HydrophobicContact CD1-CD1 4.35Å; L46-L54 HydrophobicContact CD1-CD2 3.62Å; L46-L54 HydrophobicContact CD2-CD2 4.49Å; L46-L54 HydrophobicContact CG-CD2 3.69Å; L46-L54 WeakPolarHBondContact O-CD2 3.48Å; C49-L54 HydrophobicContact CB-CD1 4.46Å; C49-L54 HydrophobicContact CB-CD2 4Å; C49-L54 HydrophobicContact CB-CG 4.06Å; C49-L54 WeakPolarHBondContact O-CD1 3.45Å; D50-L54 WeakPolarHBondContact O-CG 2.93Å; D50-L54 PolarHBondContact O-N 3.36Å; D50-L54 VanDerWaalsContact O-N 3.11Å; D51-L54 PolarHBondContact O-N 2.92Å; L54-W57 HydrophobicContact CD2-CE3 4.12Å; L54-W57 HydrophobicContact CD2-CZ3 4.17Å; L54-W57 PolarHBondContact O-N 2.7Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 2.98Å
55	F	97.8	Very high	97.1	Very high	58 Å²	58	63.9 Å²	63.9	25%	0.254	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-50	177.3	176.3	-94	0	0	0	110	M17 E19 L20 D51 D53 W57 L58 M59	M17-F55 HydrophobicContact CE-CB 4.49Å; M17-F55 HydrophobicContact SD-CB 3.89Å; M17-F55 HydrophobicContact SD-CD2 3.35Å; M17-F55 WeakPolarHBondContact SD-CD2 3.45Å; M17-F55 HydrophobicContact SD-CE2 4.13Å; M17-F55 HydrophobicContact SD-CG 3.86Å; E19-F55 HydrophobicContact CB-CD2 4.11Å; E19-F55 HydrophobicContact CB-CE2 3.93Å; E19-F55 HydrophobicContact CG-CE2 3.94Å; L20-F55 HydrophobicContact CD2-CB 4.26Å; D51-F55 VanDerWaalsContact O-CB 3.3Å; D51-F55 WeakPolarHBondContact O-CB 3.03Å; D51-F55 PolarHBondContact O-N 2.67Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 PolarHBondContact O-N 3.26Å; F55-W57 PolarHBondContact O-N 2.63Å; F55-L58 PolarHBondContact O-N 3.25Å; F55-M59 HydrophobicContact CD1-CG 4.37Å; F55-M59 HydrophobicContact CD2-CG 3.98Å; F55-M59 HydrophobicContact CE1-CG 4.15Å; F55-M59 HydrophobicContact CE2-CG 3.76Å; F55-M59 HydrophobicContact CE2-SD 4.49Å; F55-M59 HydrophobicContact CG-CG 4.3Å; F55-M59 HydrophobicContact CZ-CG 3.85Å; F55-M59 VanDerWaalsContact O-CB 3.24Å; F55-M59 WeakPolarHBondContact O-CB 3.34Å; F55-M59 WeakPolarHBondContact O-CG 3.5Å; F55-M59 PolarHBondContact O-N 3.13Å
56	N	97.9	Very high	97.1	Very high	59 Å²	59	62 Å²	62	32%	0.316	35%	0.346	S	S	.	.	H	α-helix	trans	-57.2	-48	179.1	-76.7	-28.7	0	0	0	111.8	P52 D53 M59 N60 H61	P52-N56 WeakPolarHBondContact O-CB 3.41Å; P52-N56 VanDerWaalsContact O-CG 3.24Å; P52-N56 PolarHBondContact O-N 3.26Å; P52-N56 PolarHBondContact O-ND2 3.2Å; P52-N56 VanDerWaalsContact O-ND2 3.13Å; D53-N56 PolarHBondContact O-N 3.08Å; N56-M59 PolarHBondContact O-N 2.9Å; N56-N60 PolarHBondContact O-N 3.46Å; N56-H61 HydrophobicContact CB-CB 4.18Å; N56-H61 CarbonylContact O-C 3.59Å; N56-H61 WeakPolarHBondContact O-CA 3.43Å; N56-H61 WeakPolarHBondContact O-CB 3.46Å; N56-H61 PolarHBondContact O-N 2.82Å
57	W	98.2	Very high	97	Very high	35 Å²	35	65.5 Å²	65.5	13%	0.133	38%	0.375	C	S	.	.	H	α-helix	trans	-68.5	-44.9	-177.9	-55.4	-27.4	0	0	0	112.8	L46 C49 D53 L54 F55 M59 N60 K63 P64 V73 Q77	L46-W57 HydrophobicContact CD1-CE3 4.05Å; L46-W57 HydrophobicContact CD1-CZ3 3.98Å; C49-W57 HydrophobicContact CB-CH2 4.31Å; C49-W57 HydrophobicContact CB-CZ3 3.98Å; D53-W57 HydrophobicContact CB-CD2 4.43Å; D53-W57 HydrophobicContact CB-CE3 4.49Å; D53-W57 HydrophobicContact CB-CH2 3.84Å; D53-W57 HydrophobicContact CB-CZ2 3.75Å; D53-W57 HydrophobicContact CB-CZ3 4.22Å; D53-W57 PolarHBondContact O-N 3.4Å; L54-W57 HydrophobicContact CD2-CE3 4.12Å; L54-W57 HydrophobicContact CD2-CZ3 4.17Å; L54-W57 PolarHBondContact O-N 2.7Å; F55-W57 PolarHBondContact O-N 2.63Å; W57-M59 VanDerWaalsContact C-N 3.26Å; W57-M59 PolarHBondContact O-N 3.43Å; W57-N60 PolarHBondContact O-N 2.98Å; W57-N60 VanDerWaalsContact O-N 3.13Å; W57-K63 VanDerWaalsContact CD1-C 3.45Å; W57-P64 HydrophobicContact CB-CG 4.42Å; W57-P64 HydrophobicContact CD2-CB 4.24Å; W57-P64 HydrophobicContact CD2-CG 3.52Å; W57-P64 HydrophobicContact CE3-CB 4.46Å; W57-P64 HydrophobicContact CE3-CG 3.73Å; W57-P64 HydrophobicContact CG-CG 3.83Å; W57-P64 HydrophobicContact CH2-CB 4.28Å; W57-P64 HydrophobicContact CH2-CG 4.42Å; W57-P64 HydrophobicContact CZ2-CB 4.06Å; W57-P64 HydrophobicContact CZ2-CG 4.25Å; W57-P64 HydrophobicContact CZ3-CB 4.48Å; W57-P64 HydrophobicContact CZ3-CG 4.18Å; W57-V73 HydrophobicContact CB-CG1 4.09Å; W57-V73 HydrophobicContact CB-CG2 3.99Å; W57-V73 HydrophobicContact CE3-CG2 4.44Å; W57-Q77 PolarHBondContact O-NE2 3.46Å
58	L	97.1	Very high	97	Very high	10 Å²	10	69.4 Å²	69.4	5%	0.052	39%	0.394	C	S	.	.	H	α-helix	trans	-66.9	-30	179.7	-72.4	167.7	0	0	0	112.1	L20 I24 L54 F55 N60 V73 I76 Q77	L20-L58 HydrophobicContact CD2-CD1 3.68Å; I24-L58 HydrophobicContact CD1-CD1 4.09Å; I24-L58 HydrophobicContact CG1-CD1 3.87Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 2.98Å; F55-L58 PolarHBondContact O-N 3.25Å; L58-N60 VanDerWaalsContact C-N 3.31Å; L58-V73 HydrophobicContact CD2-CG1 4.34Å; L58-I76 HydrophobicContact CD2-CB 4.21Å; L58-I76 HydrophobicContact CD2-CG2 3.74Å; L58-Q77 HydrophobicContact CD2-CG 4.49Å; L58-Q77 PolarHBondContact O-NE2 2.8Å
59	M	95.7	Very high	97.1	Very high	62 Å²	62	64.3 Å²	64.3	31%	0.305	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	6.7	175.7	-60.1	-57.6	114.4	0	0	113.7	E19 F55 N56 W57 H61	E19-M59 HydrophobicContact CB-CE 4.31Å; F55-M59 HydrophobicContact CD1-CG 4.37Å; F55-M59 HydrophobicContact CD2-CG 3.98Å; F55-M59 HydrophobicContact CE1-CG 4.15Å; F55-M59 HydrophobicContact CE2-CG 3.76Å; F55-M59 HydrophobicContact CE2-SD 4.49Å; F55-M59 HydrophobicContact CG-CG 4.3Å; F55-M59 HydrophobicContact CZ-CG 3.85Å; F55-M59 VanDerWaalsContact O-CB 3.24Å; F55-M59 WeakPolarHBondContact O-CB 3.34Å; F55-M59 WeakPolarHBondContact O-CG 3.5Å; F55-M59 PolarHBondContact O-N 3.13Å; N56-M59 PolarHBondContact O-N 2.9Å; W57-M59 VanDerWaalsContact C-N 3.26Å; W57-M59 PolarHBondContact O-N 3.43Å; M59-H61 PolarHBondContact O-CD2 3.38Å; M59-H61 PolarHBondContact O-N 2.69Å
60	N	95.9	Very high	97.2	Very high	118 Å²	118	64.6 Å²	64.6	63%	0.631	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	23.6	-176.5	-55.6	-65.6	0	0	0	114.9	N56 W57 L58 G62 Q77	N56-N60 PolarHBondContact O-N 3.46Å; W57-N60 PolarHBondContact O-N 2.98Å; W57-N60 VanDerWaalsContact O-N 3.13Å; L58-N60 VanDerWaalsContact C-N 3.31Å; N60-G62 VanDerWaalsContact C-N 3.31Å; N60-G62 PolarHBondContact O-N 2.59Å; N60-Q77 PolarHBondContact ND2-NE2 2.71Å; N60-Q77 PolarHBondContact OD1-NE2 3.41Å
61	H	96.5	Very high	97.2	Very high	119 Å²	119	62.8 Å²	62.8	55%	0.551	36%	0.357	S	S	*	.	S	Bend	trans	-87.1	70.9	171	-58.9	165.2	0	0	0	110	N56 M59	N56-H61 HydrophobicContact CB-CB 4.18Å; N56-H61 CarbonylContact O-C 3.59Å; N56-H61 WeakPolarHBondContact O-CA 3.43Å; N56-H61 WeakPolarHBondContact O-CB 3.46Å; N56-H61 PolarHBondContact O-N 2.82Å; M59-H61 PolarHBondContact O-CD2 3.38Å; M59-H61 PolarHBondContact O-N 2.69Å
62	G	95.2	Very high	97.3	Very high	55 Å²	55	60.4 Å²	60.4	57%	0.567	35%	0.345	S	S	*	.	S	Bend	trans	86.8	-165.6	-173.2	0	0	0	0	0	112.2	N60	N60-G62 VanDerWaalsContact C-N 3.31Å; N60-G62 PolarHBondContact O-N 2.59Å
63	K	96.2	Very high	97.3	Very high	132 Å²	132	56.8 Å²	56.8	57%	0.574	32%	0.321	S	S	*	.			trans	-152.3	156.7	-172.8	63.3	-179.1	-160.2	146.2	0	112.1	W57 E70	W57-K63 VanDerWaalsContact CD1-C 3.45Å; K63-E70 IonicContact NZ-OE1 2.79Å; K63-E70 PolarHBondContact NZ-OE1 3.17Å; K63-E70 IonicContact NZ-OE2 3.88Å; K63-E70 PolarHBondContact NZ-OE2 3.11Å
64	P	96.8	Very high	97.3	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.032	33%	0.33	C	S	.	.			trans	-59.3	147	171.4	-17	28.3	0	0	0	111	W57 D66 L69 E70 V73	W57-P64 HydrophobicContact CB-CG 4.42Å; W57-P64 HydrophobicContact CD2-CB 4.24Å; W57-P64 HydrophobicContact CD2-CG 3.52Å; W57-P64 HydrophobicContact CE3-CB 4.46Å; W57-P64 HydrophobicContact CE3-CG 3.73Å; W57-P64 HydrophobicContact CG-CG 3.83Å; W57-P64 HydrophobicContact CH2-CB 4.28Å; W57-P64 HydrophobicContact CH2-CG 4.42Å; W57-P64 HydrophobicContact CZ2-CB 4.06Å; W57-P64 HydrophobicContact CZ2-CG 4.25Å; W57-P64 HydrophobicContact CZ3-CB 4.48Å; W57-P64 HydrophobicContact CZ3-CG 4.18Å; P64-D66 VanDerWaalsContact C-N 3.27Å; P64-L69 HydrophobicContact CB-CB 3.65Å; P64-L69 HydrophobicContact CB-CD1 4.49Å; P64-L69 HydrophobicContact CG-CB 3.84Å; P64-E70 HydrophobicContact CG-CB 4.41Å; P64-V73 HydrophobicContact CG-CG2 4.16Å
65	A	96	Very high	97.3	Very high	117 Å²	117	61.8 Å²	61.8	97%	0.967	34%	0.337	S	S	*	.	S	Bend	trans	-71.7	-27.4	169.8	0	0	0	0	0	111.9
66	D	97.5	Very high	97.4	Very high	53 Å²	53	59 Å²	59	28%	0.283	33%	0.325	S	S	.	.	S	Bend	trans	-79.7	122.1	176.3	-174	-37.4	0	0	0	110.3	R45 P64 E68 L69 E70	R45-D66 IonicContact CZ-OD2 2.7Å; R45-D66 IonicContact NH2-OD2 3.81Å; R45-D66 PolarHBondContact NH2-OD2 3.46Å; P64-D66 VanDerWaalsContact C-N 3.27Å; D66-E68 VanDerWaalsContact C-N 3.29Å; D66-E68 PolarHBondContact O-N 2.96Å; D66-E68 WeakPolarHBondContact OD1-CB 3.39Å; D66-E68 PolarHBondContact OD1-N 3.17Å; D66-L69 HydrophobicContact CB-CB 4.11Å; D66-L69 HydrophobicContact CB-CD1 3.99Å; D66-L69 HydrophobicContact CB-CG 3.89Å; D66-L69 PolarHBondContact O-N 3.22Å; D66-L69 PolarHBondContact OD1-N 2.86Å; D66-E70 PolarHBondContact O-N 2.95Å
67	A	97.8	Very high	97.3	Very high	75 Å²	75	58.2 Å²	58.2	62%	0.62	32%	0.319	S	S	*	.	H	α-helix	trans	-64.6	-30.6	-178.1	0	0	0	0	0	113.4	M71	A67-M71 WeakPolarHBondContact O-CB 3.47Å; A67-M71 PolarHBondContact O-N 3.46Å
68	E	98.2	Very high	97.2	Very high	91 Å²	91	58.5 Å²	58.5	43%	0.425	33%	0.325	S	S	.	.	H	α-helix	trans	-71.1	-41.5	176.7	-63.6	-175.5	146.5	0	0	110.5	I42 R45 D66 M71 M72	I42-E68 HydrophobicContact CD1-CB 3.93Å; I42-E68 HydrophobicContact CD1-CG 4.23Å; I42-E68 HydrophobicContact CG1-CB 4.05Å; I42-E68 HydrophobicContact CG2-CB 4Å; I42-E68 VanDerWaalsContact CG2-O 3.29Å; I42-E68 WeakPolarHBondContact CG2-O 3.29Å; R45-E68 IonicContact CZ-OE2 2.63Å; R45-E68 IonicContact NH1-OE2 2.69Å; R45-E68 PolarHBondContact NH1-OE2 3.36Å; D66-E68 VanDerWaalsContact C-N 3.29Å; D66-E68 PolarHBondContact O-N 2.96Å; D66-E68 WeakPolarHBondContact OD1-CB 3.39Å; D66-E68 PolarHBondContact OD1-N 3.17Å; E68-M71 PolarHBondContact O-N 3.42Å; E68-M72 PolarHBondContact O-N 3.42Å
69	L	98.4	Very high	97.1	Very high	15 Å²	15	62.3 Å²	62.3	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-41.5	173.6	-62.3	-174.4	0	0	0	111.2	I42 R45 L46 P64 D66 M71 M72 V73	I42-L69 HydrophobicContact CG2-CD2 4.3Å; R45-L69 HydrophobicContact CB-CD2 4.3Å; L46-L69 HydrophobicContact CB-CD2 4.03Å; L46-L69 HydrophobicContact CD1-CB 4.39Å; L46-L69 HydrophobicContact CD1-CD2 4.1Å; P64-L69 HydrophobicContact CB-CB 3.65Å; P64-L69 HydrophobicContact CB-CD1 4.49Å; P64-L69 HydrophobicContact CG-CB 3.84Å; D66-L69 HydrophobicContact CB-CB 4.11Å; D66-L69 HydrophobicContact CB-CD1 3.99Å; D66-L69 HydrophobicContact CB-CG 3.89Å; D66-L69 PolarHBondContact O-N 3.22Å; D66-L69 PolarHBondContact OD1-N 2.86Å; L69-M71 VanDerWaalsContact C-N 3.31Å; L69-M71 PolarHBondContact O-N 3.15Å; L69-M72 PolarHBondContact O-N 3.09Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.3Å; L69-V73 PolarHBondContact O-N 3.09Å
70	E	98.4	Very high	97.1	Very high	32 Å²	32	60.7 Å²	60.7	15%	0.15	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-43.9	174.9	-178	177.3	178.8	0	0	111.1	K63 P64 D66 V73 R74	K63-E70 IonicContact NZ-OE1 2.79Å; K63-E70 PolarHBondContact NZ-OE1 3.17Å; K63-E70 IonicContact NZ-OE2 3.88Å; K63-E70 PolarHBondContact NZ-OE2 3.11Å; P64-E70 HydrophobicContact CG-CB 4.41Å; D66-E70 PolarHBondContact O-N 2.95Å; E70-V73 PolarHBondContact O-N 2.9Å; E70-R74 WeakPolarHBondContact O-CG 3.12Å; E70-R74 PolarHBondContact O-N 3.19Å; E70-R74 VanDerWaalsContact O-N 3.08Å; E70-R74 IonicContact OE1-CZ 3.42Å; E70-R74 IonicContact OE1-NE 3.35Å; E70-R74 PolarHBondContact OE1-NE 2.9Å; E70-R74 IonicContact OE1-NH2 2.71Å; E70-R74 PolarHBondContact OE1-NH2 3.26Å
71	M	98	Very high	97	Very high	80 Å²	80	63.2 Å²	63.2	39%	0.394	33%	0.332	S	S	.	.	H	α-helix	trans	-61.9	-44.5	176.6	178.3	-92.8	-72.6	0	0	111.8	I42 A67 E68 L69 R74 L75	I42-M71 HydrophobicContact CD1-CE 3.69Å; A67-M71 WeakPolarHBondContact O-CB 3.47Å; A67-M71 PolarHBondContact O-N 3.46Å; E68-M71 PolarHBondContact O-N 3.42Å; L69-M71 VanDerWaalsContact C-N 3.31Å; L69-M71 PolarHBondContact O-N 3.15Å; M71-R74 PolarHBondContact O-N 3.4Å; M71-L75 PolarHBondContact O-N 3.27Å
72	M	98.5	Very high	96.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-41	178.3	-175.3	55.3	57.7	0	0	112.8	F27 E39 I42 F43 L46 E68 L69 R74 L75 I76	F27-M72 HydrophobicContact CE1-SD 4.21Å; F27-M72 HydrophobicContact CZ-SD 4.13Å; E39-M72 HydrophobicContact CB-CE 3.94Å; E39-M72 HydrophobicContact CG-CE 4.37Å; E39-M72 WeakPolarHBondContact O-CE 3.43Å; I42-M72 HydrophobicContact CB-CE 4.09Å; I42-M72 HydrophobicContact CG2-CB 3.66Å; I42-M72 HydrophobicContact CG2-CE 4.14Å; I42-M72 HydrophobicContact CG2-CG 4.23Å; F43-M72 HydrophobicContact CB-CE 4.15Å; F43-M72 HydrophobicContact CB-CG 4.39Å; F43-M72 HydrophobicContact CB-SD 4.01Å; F43-M72 HydrophobicContact CD2-CG 4.28Å; F43-M72 HydrophobicContact CD2-SD 4.03Å; L46-M72 HydrophobicContact CD2-CB 4.48Å; L46-M72 HydrophobicContact CD2-CG 3.85Å; E68-M72 PolarHBondContact O-N 3.42Å; L69-M72 PolarHBondContact O-N 3.09Å; M72-R74 VanDerWaalsContact C-N 3.32Å; M72-R74 PolarHBondContact O-N 3.29Å; M72-L75 HydrophobicContact CE-CD2 4.25Å; M72-L75 WeakPolarHBondContact O-CB 3.5Å; M72-L75 PolarHBondContact O-N 3.01Å; M72-L75 HydrophobicContact SD-CD2 4.18Å; M72-I76 HydrophobicContact CG-CD1 4.22Å; M72-I76 WeakPolarHBondContact O-CG1 3.44Å; M72-I76 PolarHBondContact O-N 3.44Å; M72-I76 HydrophobicContact SD-CG1 4.44Å
73	V	98.3	Very high	96.7	Very high	6 Å²	6	64 Å²	64	4%	0.036	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-46.5	174.1	168.3	0	0	0	0	110.5	L46 W57 L58 P64 L69 E70 L75 I76 Q77	L46-V73 HydrophobicContact CD1-CG2 3.95Å; L46-V73 HydrophobicContact CD2-CG2 4.26Å; W57-V73 HydrophobicContact CB-CG1 4.09Å; W57-V73 HydrophobicContact CB-CG2 3.99Å; W57-V73 HydrophobicContact CE3-CG2 4.44Å; L58-V73 HydrophobicContact CD2-CG1 4.34Å; P64-V73 HydrophobicContact CG-CG2 4.16Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.3Å; L69-V73 PolarHBondContact O-N 3.09Å; E70-V73 PolarHBondContact O-N 2.9Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.42Å; V73-I76 PolarHBondContact O-N 3.26Å; V73-Q77 WeakPolarHBondContact O-CG 3.32Å; V73-Q77 PolarHBondContact O-N 3.4Å
74	R	98	Very high	96.1	Very high	146 Å²	146	59 Å²	59	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-63.5	-37	177.2	-70.9	174.7	-179	-136.2	5.4	112.5	E70 M71 M72 T78	E70-R74 WeakPolarHBondContact O-CG 3.12Å; E70-R74 PolarHBondContact O-N 3.19Å; E70-R74 VanDerWaalsContact O-N 3.08Å; E70-R74 IonicContact OE1-CZ 3.42Å; E70-R74 IonicContact OE1-NE 3.35Å; E70-R74 PolarHBondContact OE1-NE 2.9Å; E70-R74 IonicContact OE1-NH2 2.71Å; E70-R74 PolarHBondContact OE1-NH2 3.26Å; M71-R74 PolarHBondContact O-N 3.4Å; M72-R74 VanDerWaalsContact C-N 3.32Å; M72-R74 PolarHBondContact O-N 3.29Å; R74-T78 VanDerWaalsContact O-CB 3.27Å; R74-T78 WeakPolarHBondContact O-CB 3.17Å; R74-T78 PolarHBondContact O-N 2.77Å; R74-T78 PolarHBondContact O-OG1 3.27Å
75	L	98.1	Very high	95.1	Very high	30 Å²	30	65.1 Å²	65.1	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-48	176.1	-175.2	61.5	0	0	0	110.7	F27 L35 M71 M72 V73 Q77 T78 R79	F27-L75 HydrophobicContact CE2-CG 4.21Å; F27-L75 HydrophobicContact CZ-CD2 4.25Å; F27-L75 HydrophobicContact CZ-CG 4.2Å; L35-L75 HydrophobicContact CD2-CD2 3.74Å; M71-L75 PolarHBondContact O-N 3.27Å; M72-L75 HydrophobicContact CE-CD2 4.25Å; M72-L75 WeakPolarHBondContact O-CB 3.5Å; M72-L75 PolarHBondContact O-N 3.01Å; M72-L75 HydrophobicContact SD-CD2 4.18Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.42Å; L75-Q77 PolarHBondContact O-N 2.65Å; L75-T78 PolarHBondContact O-N 3.07Å; L75-R79 HydrophobicContact CD1-CG 4.08Å; L75-R79 HydrophobicContact CG-CG 4.4Å; L75-R79 WeakPolarHBondContact O-CG 3.45Å; L75-R79 PolarHBondContact O-N 2.99Å
76	I	97.9	Very high	93.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56	-51.2	176.1	-67.4	166.4	0	0	0	110.9	F27 F43 L46 L58 M72 V73 T78 R79 N80	F27-I76 HydrophobicContact CB-CG1 4.5Å; F27-I76 HydrophobicContact CB-CG2 4.19Å; F27-I76 HydrophobicContact CD1-CD1 4.38Å; F27-I76 HydrophobicContact CD1-CG1 3.68Å; F27-I76 HydrophobicContact CD2-CB 4.1Å; F27-I76 HydrophobicContact CD2-CG1 3.84Å; F27-I76 HydrophobicContact CD2-CG2 4.31Å; F27-I76 HydrophobicContact CE1-CD1 4.45Å; F27-I76 HydrophobicContact CE1-CG1 3.69Å; F27-I76 HydrophobicContact CE2-CB 4.31Å; F27-I76 HydrophobicContact CE2-CG1 3.84Å; F27-I76 HydrophobicContact CG-CB 4.28Å; F27-I76 HydrophobicContact CG-CG1 3.73Å; F27-I76 HydrophobicContact CG-CG2 4.21Å; F27-I76 HydrophobicContact CZ-CG1 3.77Å; F43-I76 HydrophobicContact CD2-CD1 4.14Å; F43-I76 HydrophobicContact CE2-CD1 3.96Å; L46-I76 HydrophobicContact CD2-CD1 3.46Å; L46-I76 VanDerWaalsContact CD2-CD1 3.46Å; L58-I76 HydrophobicContact CD2-CB 4.21Å; L58-I76 HydrophobicContact CD2-CG2 3.74Å; M72-I76 HydrophobicContact CG-CD1 4.22Å; M72-I76 WeakPolarHBondContact O-CG1 3.44Å; M72-I76 PolarHBondContact O-N 3.44Å; M72-I76 HydrophobicContact SD-CG1 4.44Å; V73-I76 PolarHBondContact O-N 3.26Å; I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 PolarHBondContact O-N 3.37Å; I76-R79 PolarHBondContact O-N 3.05Å; I76-N80 VanDerWaalsContact O-CB 3.27Å; I76-N80 WeakPolarHBondContact O-CB 3.32Å; I76-N80 PolarHBondContact O-N 3.11Å; I76-N80 PolarHBondContact O-ND2 3.1Å
77	Q	96.5	Very high	92	Very high	41 Å²	41	64.4 Å²	64.4	19%	0.192	34%	0.339	C	S	.	.	H	α-helix	trans	-60	-42	179	-70.5	173.2	-29.7	0	0	112.2	W57 L58 N60 V73 L75 R81	W57-Q77 PolarHBondContact O-NE2 3.46Å; L58-Q77 HydrophobicContact CD2-CG 4.49Å; L58-Q77 PolarHBondContact O-NE2 2.8Å; N60-Q77 PolarHBondContact ND2-NE2 2.71Å; N60-Q77 PolarHBondContact OD1-NE2 3.41Å; V73-Q77 WeakPolarHBondContact O-CG 3.32Å; V73-Q77 PolarHBondContact O-N 3.4Å; L75-Q77 PolarHBondContact O-N 2.65Å; Q77-R81 VanDerWaalsContact O-CB 3.3Å; Q77-R81 WeakPolarHBondContact O-CB 3.36Å; Q77-R81 PolarHBondContact O-N 3.33Å
78	T	96.7	Very high	90	Very high	41 Å²	41	70.6 Å²	70.6	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-49.6	-179	-63.8	0	0	0	0	111.3	R74 L75 I76 N80 R81 E82	R74-T78 VanDerWaalsContact O-CB 3.27Å; R74-T78 WeakPolarHBondContact O-CB 3.17Å; R74-T78 PolarHBondContact O-N 2.77Å; R74-T78 PolarHBondContact O-OG1 3.27Å; L75-T78 PolarHBondContact O-N 3.07Å; I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 PolarHBondContact O-N 3.37Å; T78-N80 PolarHBondContact O-N 3.3Å; T78-R81 PolarHBondContact O-N 3.35Å; T78-E82 HydrophobicContact CG2-CG 4.49Å; T78-E82 WeakPolarHBondContact CG2-OE1 3.29Å; T78-E82 WeakPolarHBondContact O-CG 3.33Å; T78-E82 PolarHBondContact O-N 3.39Å
79	R	95.5	Very high	89.6	Confident	91 Å²	91	69.6 Å²	69.6	34%	0.343	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-40.3	179.1	-65.1	-56.7	-172.5	-176.4	9.3	112.5	F27 E31 L75 I76 R81 E82 R83	F27-R79 HydrophobicContact CD2-CB 3.94Å; F27-R79 HydrophobicContact CD2-CG 4.35Å; F27-R79 HydrophobicContact CE2-CB 3.96Å; F27-R79 HydrophobicContact CE2-CG 3.85Å; E31-R79 HydrophobicContact CG-CB 3.83Å; E31-R79 HydrophobicContact CG-CG 4.06Å; E31-R79 IonicContact OE2-NE 3.37Å; L75-R79 HydrophobicContact CD1-CG 4.08Å; L75-R79 HydrophobicContact CG-CG 4.4Å; L75-R79 WeakPolarHBondContact O-CG 3.45Å; L75-R79 PolarHBondContact O-N 2.99Å; I76-R79 PolarHBondContact O-N 3.05Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 3.43Å; R79-E82 IonicContact NH1-OE2 3.21Å; R79-E82 PolarHBondContact NH1-OE2 3.02Å; R79-E82 PolarHBondContact O-N 3.06Å; R79-R83 WeakPolarHBondContact O-CB 3.49Å; R79-R83 PolarHBondContact O-N 2.94Å
80	N	94.8	Very high	89.2	Confident	27 Å²	27	72.4 Å²	72.4	14%	0.144	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-39.8	175.3	-72.9	-14.7	0	0	0	112.1	S23 I76 T78 R83 G84	S23-N80 PolarHBondContact O-ND2 3.37Å; I76-N80 VanDerWaalsContact O-CB 3.27Å; I76-N80 WeakPolarHBondContact O-CB 3.32Å; I76-N80 PolarHBondContact O-N 3.11Å; I76-N80 PolarHBondContact O-ND2 3.1Å; T78-N80 PolarHBondContact O-N 3.3Å; N80-R83 VanDerWaalsContact OD1-CZ 3.29Å; N80-R83 PolarHBondContact OD1-NH1 3.19Å; N80-R83 PolarHBondContact OD1-NH2 2.94Å; N80-G84 PolarHBondContact O-N 3.31Å
81	R	93.8	Very high	88.7	Confident	171 Å²	171	74.7 Å²	74.7	65%	0.645	38%	0.383	S	S	*	.	H	α-helix	trans	-65.7	-41.7	175.2	-176.7	-179.1	64.1	-123	-6.1	112	Q77 T78 R79 G84	Q77-R81 VanDerWaalsContact O-CB 3.3Å; Q77-R81 WeakPolarHBondContact O-CB 3.36Å; Q77-R81 PolarHBondContact O-N 3.33Å; T78-R81 PolarHBondContact O-N 3.35Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 3.43Å; R81-G84 PolarHBondContact O-N 3.07Å
82	E	94.1	Very high	88.1	Confident	121 Å²	121	74.4 Å²	74.4	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-68.2	-40.5	179.3	-74.8	173.6	178.9	0	0	112.7	T78 R79 G84	T78-E82 HydrophobicContact CG2-CG 4.49Å; T78-E82 WeakPolarHBondContact CG2-OE1 3.29Å; T78-E82 WeakPolarHBondContact O-CG 3.33Å; T78-E82 PolarHBondContact O-N 3.39Å; R79-E82 IonicContact NH1-OE2 3.21Å; R79-E82 PolarHBondContact NH1-OE2 3.02Å; R79-E82 PolarHBondContact O-N 3.06Å; E82-G84 VanDerWaalsContact C-N 3.26Å; E82-G84 PolarHBondContact O-N 3.12Å
83	R	91.1	Very high	87.5	Confident	71 Å²	71	79 Å²	79	27%	0.268	41%	0.406	S	S	.	.	H	α-helix	trans	-65.4	-31.9	176.2	-172.4	177.6	64	-106.5	-8.7	112	P26 R79 N80	P26-R83 VanDerWaalsContact CB-NH2 3.27Å; R79-R83 WeakPolarHBondContact O-CB 3.49Å; R79-R83 PolarHBondContact O-N 2.94Å; N80-R83 VanDerWaalsContact OD1-CZ 3.29Å; N80-R83 PolarHBondContact OD1-NH1 3.19Å; N80-R83 PolarHBondContact OD1-NH2 2.94Å
84	G	84	Confident	86.7	Confident	26 Å²	26	83.9 Å²	83.9	27%	0.268	43%	0.431	S	S	.	.			trans	85.6	-171.3	-175.3	0	0	0	0	0	112.7	N80 R81 E82 V86	N80-G84 PolarHBondContact O-N 3.31Å; R81-G84 PolarHBondContact O-N 3.07Å; E82-G84 VanDerWaalsContact C-N 3.26Å; E82-G84 PolarHBondContact O-N 3.12Å; G84-V86 PolarHBondContact O-N 3.04Å
85	P	75.2	Confident	85.9	Confident	133 Å²	133	79.4 Å²	79.4	86%	0.864	42%	0.422	S	S	*	.	S	Bend	trans	-60	133.8	-175.6	25.8	-33.4	0	0	0	110.5	A87	P85-A87 PolarHBondContact O-N 3.06Å
86	V	67.9	Low	85	Confident	57 Å²	57	83.2 Å²	83.2	35%	0.345	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-65.9	123.7	169	-176.5	0	0	0	0	106.5	P26 G84 I88	P26-V86 HydrophobicContact CB-CG2 3.8Å; P26-V86 HydrophobicContact CG-CG1 4.18Å; P26-V86 HydrophobicContact CG-CG2 3.59Å; G84-V86 PolarHBondContact O-N 3.04Å; V86-I88 PolarHBondContact O-N 3.2Å; V86-I88 VanDerWaalsContact O-N 3.14Å
87	A	61	Low	83.9	Confident	99 Å²	99	90.2 Å²	90.2	82%	0.818	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-62.5	116.7	170.1	0	0	0	0	0	107.5	P85	P85-A87 PolarHBondContact O-N 3.06Å
88	I	56.8	Low	82.8	Confident	204 Å²	204	94.6 Å²	94.6	100%	1.046	51%	0.505	S	S	*	.			trans	-79.5	0	175.2	-50.3	174.6	0	0	0	108.6	V86	V86-I88 PolarHBondContact O-N 3.2Å; V86-I88 VanDerWaalsContact O-N 3.14Å

Retrieved 88 of 88 residues in 30.3 ms (Link to these results)

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