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NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession G4VFB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 aa.

						>G4VFB4_SCHMA|G4VFB4
MAKFGAKVRELRFLVAHTAPSSAGIRDFISRHYLSLKSANPHVKFMIRESEGITPKVFARYEMGKEDYISVANNTADDIISRLKTLDRV
					

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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	73.2	Confident	87.3	Confident	99 Å²	99	54.3 Å²	54.3	49%	0.488	28%	0.282	S	S	.	.				0	148	0	-169.6	47.7	123.9	0	0	109.4	K3 H32 L36 A39	M1-K3 PolarHBondContact O-N 2.72Å; M1-H32 HydrophobicContact CE-CB 3.59Å; M1-H32 WeakPolarHBondContact CE-O 2.89Å; M1-L36 HydrophobicContact CE-CB 3.7Å; M1-L36 HydrophobicContact CE-CD1 4.5Å; M1-L36 HydrophobicContact CG-CB 4.23Å; M1-L36 HydrophobicContact CG-CD1 3.83Å; M1-L36 HydrophobicContact SD-CB 4.31Å; M1-L36 HydrophobicContact SD-CD1 4.02Å; M1-A39 HydrophobicContact CB-CB 4.41Å; M1-A39 HydrophobicContact CG-CB 4.34Å
2	A	80.5	Confident	88	Confident	8 Å²	8	55.8 Å²	55.8	7%	0.066	28%	0.281	C	S	.	.			trans	-60.3	134.8	177.2	0	0	0	0	0	110.7	L36 N40 K84	A2-L36 HydrophobicContact CB-CD1 3.96Å; A2-L36 VanDerWaalsContact O-CD1 3.27Å; A2-L36 WeakPolarHBondContact O-CD1 3.33Å; A2-N40 PolarHBondContact O-ND2 2.87Å; A2-K84 HydrophobicContact CB-CG 4.41Å
3	K	86.3	Confident	88.5	Confident	158 Å²	158	51.5 Å²	51.5	69%	0.687	26%	0.259	S	S	*	.			trans	-115.5	133.7	173.6	-69.9	-174.6	176.2	-176.1	0	107.4	M1 N40	M1-K3 PolarHBondContact O-N 2.72Å; K3-N40 WeakPolarHBondContact CA-OD1 3.12Å
4	F	88.5	Confident	88.9	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.035	26%	0.257	C	S	.	.			trans	-103.3	138.6	178.3	-61.9	-77.6	0	0	0	109.7	V8 L11 L36 N40 H42 V43 L83 L86 D87	F4-V8 HydrophobicContact CB-CB 3.95Å; F4-V8 HydrophobicContact CB-CG1 4.43Å; F4-V8 HydrophobicContact CB-CG2 3.99Å; F4-V8 HydrophobicContact CD1-CG2 4.05Å; F4-V8 HydrophobicContact CG-CB 4.45Å; F4-V8 HydrophobicContact CG-CG1 4.47Å; F4-V8 HydrophobicContact CG-CG2 4.33Å; F4-L11 HydrophobicContact CD2-CD1 3.76Å; F4-L11 HydrophobicContact CE1-CD1 4.34Å; F4-L11 HydrophobicContact CE2-CD1 3.23Å; F4-L11 HydrophobicContact CZ-CD1 3.56Å; F4-L11 HydrophobicContact CZ-CD2 4.43Å; F4-L36 HydrophobicContact CE2-CD1 3.93Å; F4-L36 HydrophobicContact CE2-CD2 4.33Å; F4-L36 HydrophobicContact CE2-CG 4.38Å; F4-N40 PolarHBondContact N-OD1 2.66Å; F4-H42 PolarHBondContact O-CE1 3.29Å; F4-H42 VanDerWaalsContact O-CE1 3.26Å; F4-H42 PolarHBondContact O-NE2 2.69Å; F4-V43 HydrophobicContact CB-CG2 4.24Å; F4-L83 WeakPolarHBondContact CE1-O 3.3Å; F4-L83 HydrophobicContact CZ-CB 4.25Å; F4-L86 HydrophobicContact CE1-CB 4.25Å; F4-D87 WeakPolarHBondContact CA-OD1 3.48Å; F4-D87 HydrophobicContact CD1-CB 3.99Å
5	G	85.2	Confident	89.2	Confident	34 Å²	34	47.8 Å²	47.8	35%	0.351	24%	0.242	S	C	.	.			trans	-62.5	174.7	173.7	0	0	0	0	0	112.9	K7 V8 H42 D87	G5-K7 PolarHBondContact O-N 3.09Å; G5-K7 VanDerWaalsContact O-N 3.07Å; G5-V8 PolarHBondContact O-N 2.65Å; G5-H42 PolarHBondContact O-NE2 3.4Å; G5-D87 PolarHBondContact N-OD1 3.01Å
6	A	82.2	Confident	89.3	Confident	70 Å²	70	44.8 Å²	44.8	58%	0.579	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.9	-177.8	0	0	0	0	0	114.1	R9	A6-R9 PolarHBondContact O-NE 3.22Å
7	K	88.4	Confident	88.9	Confident	93 Å²	93	48.9 Å²	48.9	40%	0.404	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-29.3	-178.6	-64.4	-168.6	-176.4	173.5	0	113.5	G5 R9 Y61 E62 V89	G5-K7 PolarHBondContact O-N 3.09Å; G5-K7 VanDerWaalsContact O-N 3.07Å; K7-R9 PolarHBondContact O-N 3.18Å; K7-Y61 HydrophobicContact CB-CD1 4.47Å; K7-Y61 CarbonylContact O-C 3.55Å; K7-Y61 WeakPolarHBondContact O-CA 3.43Å; K7-E62 PolarHBondContact O-N 3.32Å; K7-V89 WeakPolarHBondContact CD-OXT 3.25Å; K7-V89 WeakPolarHBondContact CE-OXT 3.18Å; K7-V89 PolarHBondContact NZ-O 2.74Å; K7-V89 PolarHBondContact NZ-OXT 3.48Å
8	V	92.8	Very high	88.8	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.5	177.8	-178.4	0	0	0	0	108.9	F4 G5 L11 V43 Y61	F4-V8 HydrophobicContact CB-CB 3.95Å; F4-V8 HydrophobicContact CB-CG1 4.43Å; F4-V8 HydrophobicContact CB-CG2 3.99Å; F4-V8 HydrophobicContact CD1-CG2 4.05Å; F4-V8 HydrophobicContact CG-CB 4.45Å; F4-V8 HydrophobicContact CG-CG1 4.47Å; F4-V8 HydrophobicContact CG-CG2 4.33Å; G5-V8 PolarHBondContact O-N 2.65Å; V8-L11 HydrophobicContact CG1-CD2 4.22Å; V8-L11 HydrophobicContact CG1-CG 4.15Å; V8-V43 HydrophobicContact CB-CG2 4.44Å; V8-V43 HydrophobicContact CG1-CG1 4.07Å; V8-V43 HydrophobicContact CG1-CG2 4.3Å; V8-Y61 HydrophobicContact CG2-CD1 4.03Å; V8-Y61 HydrophobicContact CG2-CE1 3.75Å
9	R	93.2	Very high	88.8	Confident	115 Å²	115	50.3 Å²	50.3	43%	0.434	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-35.4	-176.7	-60.3	-55.9	-172.9	166.1	-1.1	112.6	A6 K7 K44 R60 E62	A6-R9 PolarHBondContact O-NE 3.22Å; K7-R9 PolarHBondContact O-N 3.18Å; R9-K44 WeakPolarHBondContact O-CB 3.46Å; R9-K44 PolarHBondContact O-N 2.95Å; R9-R60 PolarHBondContact N-O 3.39Å; R9-E62 HydrophobicContact CG-CG 4.31Å; R9-E62 IonicContact CZ-OE1 2.87Å; R9-E62 IonicContact NE-OE1 3.97Å; R9-E62 IonicContact NH2-OE1 3.9Å; R9-E62 PolarHBondContact NH2-OE1 3.34Å
10	E	94.7	Very high	88.9	Confident	11 Å²	11	53.4 Å²	53.4	5%	0.051	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	140.7	178.2	-171.7	179.5	113	0	0	111.1	R12 K44 M46 A59 R60	E10-R12 IonicContact OE1-CZ 3.61Å; E10-R12 IonicContact OE1-NE 2.65Å; E10-R12 PolarHBondContact OE1-NE 3.31Å; E10-R12 IonicContact OE1-NH2 3.51Å; E10-R12 PolarHBondContact OE1-NH2 3.14Å; E10-K44 CarbonylContact C-O 3.39Å; E10-K44 VanDerWaalsContact CA-O 3.23Å; E10-K44 WeakPolarHBondContact CA-O 3.43Å; E10-K44 HydrophobicContact CB-CB 4.3Å; E10-K44 HydrophobicContact CG-CB 4.18Å; E10-K44 HydrophobicContact CG-CD 4.3Å; E10-K44 HydrophobicContact CG-CG 4.3Å; E10-K44 WeakPolarHBondContact CG-O 3.46Å; E10-K44 WeakPolarHBondContact OE2-CD 3.43Å; E10-K44 IonicContact OE2-NZ 3.88Å; E10-K44 PolarHBondContact OE2-NZ 2.92Å; E10-M46 HydrophobicContact CG-CG 4.43Å; E10-M46 HydrophobicContact CG-SD 3.98Å; E10-M46 VanDerWaalsContact OE2-SD 3.32Å; E10-A59 CarbonylContact O-C 3.58Å; E10-A59 WeakPolarHBondContact O-CA 3.49Å; E10-R60 HydrophobicContact CB-CB 3.98Å; E10-R60 PolarHBondContact N-O 3.1Å; E10-R60 PolarHBondContact O-N 2.96Å
11	L	95.2	Very high	89	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.8	166	-72	171.8	0	0	0	109.7	F4 V8 F13 V43 K44 F45 M46 V57 F58 A59 L86	F4-L11 HydrophobicContact CD2-CD1 3.76Å; F4-L11 HydrophobicContact CE1-CD1 4.34Å; F4-L11 HydrophobicContact CE2-CD1 3.23Å; F4-L11 HydrophobicContact CZ-CD1 3.56Å; F4-L11 HydrophobicContact CZ-CD2 4.43Å; V8-L11 HydrophobicContact CG1-CD2 4.22Å; V8-L11 HydrophobicContact CG1-CG 4.15Å; L11-F13 HydrophobicContact CB-CE2 3.98Å; L11-F13 HydrophobicContact CB-CZ 4.39Å; L11-V43 HydrophobicContact CB-CG1 4.33Å; L11-V43 HydrophobicContact CD1-CG1 4.03Å; L11-V43 HydrophobicContact CG-CG1 3.91Å; L11-K44 PolarHBondContact N-O 2.75Å; L11-F45 HydrophobicContact CB-CD1 4.27Å; L11-F45 HydrophobicContact CB-CE1 4.33Å; L11-F45 HydrophobicContact CD1-CD1 4.37Å; L11-F45 HydrophobicContact CD1-CE1 3.64Å; L11-F45 HydrophobicContact CD1-CZ 4.02Å; L11-M46 PolarHBondContact O-N 3.13Å; L11-V57 HydrophobicContact CD2-CG1 4.43Å; L11-F58 CarbonylContact C-O 3.59Å; L11-F58 VanDerWaalsContact CA-O 3.31Å; L11-F58 WeakPolarHBondContact CA-O 3.31Å; L11-A59 HydrophobicContact CD2-CB 3.77Å; L11-L86 HydrophobicContact CD2-CD1 4.04Å
12	R	95.5	Very high	90	Very high	72 Å²	72	47.4 Å²	47.4	27%	0.272	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117	-179.4	-168.9	-174.4	-57.2	160.3	10.9	110.6	E10 M46 R48 V57 F58 E66	E10-R12 IonicContact OE1-CZ 3.61Å; E10-R12 IonicContact OE1-NE 2.65Å; E10-R12 PolarHBondContact OE1-NE 3.31Å; E10-R12 IonicContact OE1-NH2 3.51Å; E10-R12 PolarHBondContact OE1-NH2 3.14Å; R12-M46 CarbonylContact C-O 3.53Å; R12-M46 VanDerWaalsContact CA-O 3.3Å; R12-M46 WeakPolarHBondContact CA-O 3.44Å; R12-M46 HydrophobicContact CB-CB 4.42Å; R12-M46 HydrophobicContact CG-CB 4.14Å; R12-R48 HydrophobicContact CG-CG 4Å; R12-V57 CarbonylContact O-C 3.48Å; R12-V57 WeakPolarHBondContact O-CA 3.3Å; R12-F58 HydrophobicContact CB-CB 4.19Å; R12-F58 PolarHBondContact N-O 3.22Å; R12-F58 PolarHBondContact O-N 3.03Å; R12-E66 IonicContact NH2-OE1 3.23Å
13	F	95.1	Very high	90.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.4	177.9	-59	-95.2	0	0	0	108.6	L11 V15 I25 F28 I29 Y33 L36 F45 M46 I47 R48 V57 L83	L11-F13 HydrophobicContact CB-CE2 3.98Å; L11-F13 HydrophobicContact CB-CZ 4.39Å; F13-V15 HydrophobicContact CB-CG2 4.4Å; F13-I25 HydrophobicContact CB-CD1 4.4Å; F13-I25 HydrophobicContact CD1-CD1 4.36Å; F13-F28 HydrophobicContact CD1-CE1 4.37Å; F13-F28 HydrophobicContact CE1-CD1 4.33Å; F13-F28 AromaticContact CE1-CE1 3.64Å; F13-F28 HydrophobicContact CE1-CE1 3.64Å; F13-F28 HydrophobicContact CZ-CE1 4.27Å; F13-I29 HydrophobicContact CB-CD1 4.21Å; F13-Y33 HydrophobicContact CD2-CE2 4.24Å; F13-Y33 HydrophobicContact CE2-CD2 4.3Å; F13-Y33 HydrophobicContact CE2-CE2 4.11Å; F13-L36 HydrophobicContact CZ-CD2 4.2Å; F13-F45 AromaticContact CE2-CD1 3.86Å; F13-F45 HydrophobicContact CE2-CD1 3.86Å; F13-F45 HydrophobicContact CE2-CE1 4.45Å; F13-F45 HydrophobicContact CZ-CD1 4.4Å; F13-M46 WeakPolarHBondContact CD2-O 3.49Å; F13-M46 PolarHBondContact N-O 3.19Å; F13-I47 HydrophobicContact CB-CG1 4.39Å; F13-I47 HydrophobicContact CD2-CG1 4.45Å; F13-R48 PolarHBondContact O-N 3.48Å; F13-V57 HydrophobicContact CD1-CB 4.48Å; F13-V57 HydrophobicContact CD1-CG1 4.04Å; F13-V57 HydrophobicContact CD1-CG2 3.64Å; F13-V57 HydrophobicContact CE1-CG1 3.89Å; F13-V57 HydrophobicContact CE1-CG2 3.92Å; F13-V57 HydrophobicContact CZ-CG1 4.24Å; F13-L83 HydrophobicContact CE1-CD2 4.34Å
14	L	94.2	Very high	90.9	Very high	42 Å²	42	42.4 Å²	42.4	22%	0.22	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.1	169.3	-80	179.9	0	0	0	108.9	R48 I53 P55 K56 F58	L14-R48 WeakPolarHBondContact CA-O 3.32Å; L14-R48 HydrophobicContact CD2-CB 3.59Å; L14-R48 HydrophobicContact CD2-CG 4.49Å; L14-I53 HydrophobicContact CB-CD1 3.67Å; L14-I53 HydrophobicContact CD1-CD1 4.36Å; L14-I53 HydrophobicContact CD2-CD1 4.01Å; L14-I53 HydrophobicContact CG-CD1 4.24Å; L14-P55 VanDerWaalsContact O-CA 3.25Å; L14-P55 WeakPolarHBondContact O-CA 2.9Å; L14-K56 HydrophobicContact CB-CB 4.47Å; L14-K56 PolarHBondContact N-O 3.37Å; L14-K56 PolarHBondContact O-N 3.47Å; L14-F58 HydrophobicContact CD1-CD2 4.09Å; L14-F58 HydrophobicContact CD1-CE2 3.33Å; L14-F58 HydrophobicContact CD1-CZ 4.08Å; L14-F58 HydrophobicContact CG-CD2 4.4Å; L14-F58 HydrophobicContact CG-CE2 4.09Å
15	V	93.6	Very high	91.2	Very high	6 Å²	6	42 Å²	42	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.1	-174.8	-176.5	0	0	0	0	108.8	F13 I25 R26 I29 I47 R48 E49 S50	F13-V15 HydrophobicContact CB-CG2 4.4Å; V15-I25 HydrophobicContact CB-CG2 4.49Å; V15-I25 HydrophobicContact CG1-CG2 4.03Å; V15-I25 HydrophobicContact CG2-CD1 3.97Å; V15-I25 HydrophobicContact CG2-CG1 4.35Å; V15-I25 HydrophobicContact CG2-CG2 4.23Å; V15-R26 HydrophobicContact CG1-CG 3.66Å; V15-I29 HydrophobicContact CG2-CD1 3.29Å; V15-I47 HydrophobicContact CG2-CG2 4.23Å; V15-R48 PolarHBondContact N-O 2.95Å; V15-E49 WeakPolarHBondContact O-CA 3.46Å; V15-S50 PolarHBondContact O-N 2.79Å
16	A	90.9	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.			trans	-92.8	132.6	166	0	0	0	0	0	110.9	A19 S22 S50 I53	A16-A19 HydrophobicContact CB-CB 3.73Å; A16-S22 WeakPolarHBondContact CB-OG 3.39Å; A16-S22 PolarHBondContact N-OG 2.76Å; A16-S22 WeakPolarHBondContact O-CB 3.39Å; A16-S50 VanDerWaalsContact CA-O 3.22Å; A16-S50 WeakPolarHBondContact CA-O 3.44Å; A16-S50 WeakPolarHBondContact CB-O 3.3Å; A16-I53 HydrophobicContact CB-CG1 4.26Å
17	H	82.1	Confident	92.2	Very high	114 Å²	114	44.9 Å²	44.9	53%	0.528	24%	0.235	S	C	.	.	S	Bend	trans	-66.3	-44.2	-174.3	-173.6	-177.9	0	0	0	111.9	R26	H17-R26 PolarHBondContact O-NH1 3.22Å
18	T	87.1	Confident	92.5	Very high	102 Å²	102	40.5 Å²	40.5	63%	0.626	22%	0.216	S	C	*	.	S	Bend	trans	-109.2	-16	-170.7	53.8	0	0	0	0	114.2
19	A	89.2	Confident	92.6	Very high	23 Å²	23	42 Å²	42	19%	0.19	22%	0.224	C	C	.	.			trans	-68.4	131.2	-174.4	0	0	0	0	0	111.7	A16 S21 S22	A16-A19 HydrophobicContact CB-CB 3.73Å; A19-S21 PolarHBondContact O-N 3.07Å; A19-S22 PolarHBondContact O-N 3.27Å
20	P	90.1	Very high	92.6	Very high	112 Å²	112	41.5 Å²	41.5	73%	0.727	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-56	-34.9	174.6	-26.7	34.9	0	0	0	112.8	S22 A23	P20-S22 PolarHBondContact O-N 3.05Å; P20-S22 VanDerWaalsContact O-N 3.08Å; P20-A23 VanDerWaalsContact O-CB 3.26Å; P20-A23 WeakPolarHBondContact O-CB 3.47Å; P20-A23 PolarHBondContact O-N 3.35Å
21	S	91.6	Very high	92.6	Very high	26 Å²	26	46.6 Å²	46.6	18%	0.182	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20.6	177.8	59.9	0	0	0	0	114.3	A19 P55 N73	A19-S21 PolarHBondContact O-N 3.07Å; S21-P55 WeakPolarHBondContact O-CG 3.48Å; S21-N73 VanDerWaalsContact CA-OD1 3.23Å; S21-N73 WeakPolarHBondContact CA-OD1 3.42Å; S21-N73 WeakPolarHBondContact CB-OD1 3.47Å; S21-N73 PolarHBondContact O-N 2.94Å
22	S	92.5	Very high	92.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-98.3	7.5	178.9	-60.8	0	0	0	0	112.9	A16 A19 P20 I25 R26 P55	A16-S22 WeakPolarHBondContact CB-OG 3.39Å; A16-S22 PolarHBondContact N-OG 2.76Å; A16-S22 WeakPolarHBondContact O-CB 3.39Å; A19-S22 PolarHBondContact O-N 3.27Å; P20-S22 PolarHBondContact O-N 3.05Å; P20-S22 VanDerWaalsContact O-N 3.08Å; S22-I25 VanDerWaalsContact O-CG2 3.29Å; S22-I25 WeakPolarHBondContact O-CG2 3.36Å; S22-R26 VanDerWaalsContact O-CG 3.3Å; S22-R26 WeakPolarHBondContact O-CG 3.45Å; S22-R26 PolarHBondContact O-N 3.26Å; S22-R26 VanDerWaalsContact O-N 3.15Å; S22-R26 PolarHBondContact O-NE 2.91Å; S22-P55 WeakPolarHBondContact OG-CB 3.34Å; S22-P55 WeakPolarHBondContact OG-CD 3.25Å; S22-P55 WeakPolarHBondContact OG-CG 3.38Å
23	A	92.8	Very high	92.4	Very high	49 Å²	49	46.7 Å²	46.7	41%	0.405	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-48.8	177.7	0	0	0	0	0	112.1	P20 I25 R26 D27	P20-A23 VanDerWaalsContact O-CB 3.26Å; P20-A23 WeakPolarHBondContact O-CB 3.47Å; P20-A23 PolarHBondContact O-N 3.35Å; A23-I25 PolarHBondContact O-N 3.47Å; A23-R26 WeakPolarHBondContact O-CB 3.47Å; A23-R26 PolarHBondContact O-N 2.84Å; A23-D27 PolarHBondContact O-N 2.78Å
24	G	94.2	Very high	92.3	Very high	13 Å²	13	52.8 Å²	52.8	13%	0.134	29%	0.29	C	S	.	.	H	α-helix	trans	-70.9	-31.2	-177.7	0	0	0	0	0	114.7	D27 F28 N74	G24-D27 PolarHBondContact O-N 3.32Å; G24-F28 WeakPolarHBondContact O-CB 3.39Å; G24-F28 PolarHBondContact O-N 2.85Å; G24-N74 VanDerWaalsContact CA-O 3.31Å; G24-N74 WeakPolarHBondContact CA-O 3.45Å
25	I	94.4	Very high	92.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.8	-34.3	172.6	-163	-179.9	0	0	0	111.7	F13 V15 S22 A23 F28 I29 P55 V57 V71 I79	F13-I25 HydrophobicContact CB-CD1 4.4Å; F13-I25 HydrophobicContact CD1-CD1 4.36Å; V15-I25 HydrophobicContact CB-CG2 4.49Å; V15-I25 HydrophobicContact CG1-CG2 4.03Å; V15-I25 HydrophobicContact CG2-CD1 3.97Å; V15-I25 HydrophobicContact CG2-CG1 4.35Å; V15-I25 HydrophobicContact CG2-CG2 4.23Å; S22-I25 VanDerWaalsContact O-CG2 3.29Å; S22-I25 WeakPolarHBondContact O-CG2 3.36Å; A23-I25 PolarHBondContact O-N 3.47Å; I25-F28 PolarHBondContact O-N 3.46Å; I25-I29 HydrophobicContact CG1-CD1 4.25Å; I25-I29 WeakPolarHBondContact O-CB 3.33Å; I25-I29 VanDerWaalsContact O-CG1 3.3Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.15Å; I25-P55 HydrophobicContact CD1-CB 4.38Å; I25-P55 HydrophobicContact CG2-CB 3.91Å; I25-V57 HydrophobicContact CD1-CG2 4.23Å; I25-V71 HydrophobicContact CB-CG2 4.24Å; I25-V71 HydrophobicContact CD1-CG2 3.59Å; I25-V71 HydrophobicContact CG1-CG2 4.17Å; I25-I79 VanDerWaalsContact CA-CD1 3.47Å; I25-I79 HydrophobicContact CB-CD1 3.83Å; I25-I79 HydrophobicContact CG1-CD1 4.24Å
26	R	93.7	Very high	92.3	Very high	96 Å²	96	53.7 Å²	53.7	36%	0.362	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-45.6	173.4	-74.1	-179.2	-70	168.5	-2.1	111	V15 H17 S22 A23 I29 S30	V15-R26 HydrophobicContact CG1-CG 3.66Å; H17-R26 PolarHBondContact O-NH1 3.22Å; S22-R26 VanDerWaalsContact O-CG 3.3Å; S22-R26 WeakPolarHBondContact O-CG 3.45Å; S22-R26 PolarHBondContact O-N 3.26Å; S22-R26 VanDerWaalsContact O-N 3.15Å; S22-R26 PolarHBondContact O-NE 2.91Å; A23-R26 WeakPolarHBondContact O-CB 3.47Å; A23-R26 PolarHBondContact O-N 2.84Å; R26-I29 PolarHBondContact O-N 3.25Å; R26-S30 PolarHBondContact O-N 2.65Å
27	D	94.8	Very high	92.4	Very high	67 Å²	67	58.7 Å²	58.7	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-44.6	174.8	-171.8	49.7	0	0	0	111.8	A23 G24 I29 S30 R31 A76	A23-D27 PolarHBondContact O-N 2.78Å; G24-D27 PolarHBondContact O-N 3.32Å; D27-I29 VanDerWaalsContact C-N 3.35Å; D27-I29 PolarHBondContact O-N 2.85Å; D27-S30 PolarHBondContact O-N 3.3Å; D27-R31 WeakPolarHBondContact O-CB 3.28Å; D27-R31 PolarHBondContact O-N 3.37Å; D27-R31 VanDerWaalsContact OD1-CD 3.24Å; D27-R31 WeakPolarHBondContact OD1-CD 3.26Å; D27-R31 WeakPolarHBondContact OD2-CD 3.36Å; D27-R31 IonicContact OD2-CZ 3.4Å; D27-R31 IonicContact OD2-NH1 3.84Å; D27-R31 PolarHBondContact OD2-NH1 3.15Å; D27-R31 VanDerWaalsContact OD2-NH1 3.12Å; D27-A76 HydrophobicContact CB-CB 4.38Å; D27-A76 WeakPolarHBondContact OD2-CB 3.42Å
28	F	95.3	Very high	93	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-56.6	-46.8	174.2	172.6	-93.6	0	0	0	112.1	F13 G24 I25 S30 R31 H32 Y33 L36 A76 I79 I80 L83	F13-F28 HydrophobicContact CD1-CE1 4.37Å; F13-F28 HydrophobicContact CE1-CD1 4.33Å; F13-F28 AromaticContact CE1-CE1 3.64Å; F13-F28 HydrophobicContact CE1-CE1 3.64Å; F13-F28 HydrophobicContact CZ-CE1 4.27Å; G24-F28 WeakPolarHBondContact O-CB 3.39Å; G24-F28 PolarHBondContact O-N 2.85Å; I25-F28 PolarHBondContact O-N 3.46Å; F28-S30 VanDerWaalsContact C-N 3.35Å; F28-S30 PolarHBondContact O-N 2.8Å; F28-R31 PolarHBondContact O-N 3.07Å; F28-H32 HydrophobicContact CD2-CB 3.86Å; F28-H32 HydrophobicContact CE2-CB 3.67Å; F28-H32 HydrophobicContact CZ-CB 4.19Å; F28-H32 WeakPolarHBondContact O-CA 3.31Å; F28-H32 VanDerWaalsContact O-CB 3.31Å; F28-H32 WeakPolarHBondContact O-CB 3.48Å; F28-H32 PolarHBondContact O-N 3.19Å; F28-Y33 PolarHBondContact O-N 2.83Å; F28-L36 HydrophobicContact CZ-CD2 4.03Å; F28-A76 HydrophobicContact CB-CB 4Å; F28-I79 HydrophobicContact CB-CB 4.49Å; F28-I79 HydrophobicContact CB-CD1 4.11Å; F28-I79 HydrophobicContact CB-CG2 4.35Å; F28-I79 HydrophobicContact CD1-CG2 3.98Å; F28-I79 HydrophobicContact CD2-CB 4.12Å; F28-I79 HydrophobicContact CD2-CG2 3.78Å; F28-I79 HydrophobicContact CE1-CG2 4.28Å; F28-I79 HydrophobicContact CE2-CG2 4.09Å; F28-I79 HydrophobicContact CG-CB 4.25Å; F28-I79 HydrophobicContact CG-CG2 3.74Å; F28-I79 HydrophobicContact CZ-CG2 4.34Å; F28-I80 HydrophobicContact CD2-CG1 3.93Å; F28-I80 HydrophobicContact CE2-CG1 3.58Å; F28-L83 HydrophobicContact CE1-CD1 3.95Å; F28-L83 HydrophobicContact CE2-CD1 3.8Å; F28-L83 HydrophobicContact CZ-CD1 3.28Å
29	I	94.1	Very high	93.2	Very high	32 Å²	32	54.3 Å²	54.3	16%	0.164	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-44.6	-179.9	-73.3	168.4	0	0	0	110.4	F13 V15 I25 R26 D27 R31 Y33 I47	F13-I29 HydrophobicContact CB-CD1 4.21Å; V15-I29 HydrophobicContact CG2-CD1 3.29Å; I25-I29 HydrophobicContact CG1-CD1 4.25Å; I25-I29 WeakPolarHBondContact O-CB 3.33Å; I25-I29 VanDerWaalsContact O-CG1 3.3Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.15Å; R26-I29 PolarHBondContact O-N 3.25Å; D27-I29 VanDerWaalsContact C-N 3.35Å; D27-I29 PolarHBondContact O-N 2.85Å; I29-R31 PolarHBondContact O-N 3.33Å; I29-Y33 HydrophobicContact CG2-CG 4.5Å; I29-Y33 WeakPolarHBondContact O-CB 3.47Å; I29-Y33 PolarHBondContact O-N 3Å; I29-I47 HydrophobicContact CD1-CD1 4.39Å; I29-I47 HydrophobicContact CD1-CG1 4.39Å; I29-I47 HydrophobicContact CD1-CG2 4.2Å; I29-I47 HydrophobicContact CG2-CD1 3.71Å
30	S	93.7	Very high	93.4	Very high	105 Å²	105	53.3 Å²	53.3	73%	0.734	30%	0.302	S	S	*	.	H	α-helix	trans	-60.7	-45.7	179.4	-175.6	0	0	0	0	112.4	R26 D27 F28	R26-S30 PolarHBondContact O-N 2.65Å; D27-S30 PolarHBondContact O-N 3.3Å; F28-S30 VanDerWaalsContact C-N 3.35Å; F28-S30 PolarHBondContact O-N 2.8Å
31	R	94.7	Very high	93.6	Very high	119 Å²	119	53.5 Å²	53.5	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-87.5	-35.7	-172.8	-71	168.4	46	179.1	-6	114.8	D27 F28 I29 D77	D27-R31 WeakPolarHBondContact O-CB 3.28Å; D27-R31 PolarHBondContact O-N 3.37Å; D27-R31 VanDerWaalsContact OD1-CD 3.24Å; D27-R31 WeakPolarHBondContact OD1-CD 3.26Å; D27-R31 WeakPolarHBondContact OD2-CD 3.36Å; D27-R31 IonicContact OD2-CZ 3.4Å; D27-R31 IonicContact OD2-NH1 3.84Å; D27-R31 PolarHBondContact OD2-NH1 3.15Å; D27-R31 VanDerWaalsContact OD2-NH1 3.12Å; F28-R31 PolarHBondContact O-N 3.07Å; I29-R31 PolarHBondContact O-N 3.33Å; R31-D77 IonicContact NH2-OD1 3.12Å
32	H	94.3	Very high	93.5	Very high	35 Å²	35	56.3 Å²	56.3	16%	0.162	31%	0.314	C	S	.	.	H	α-helix	trans	-123	-20	-160.2	-65	-57.2	0	0	0	113.8	M1 F28 L34 S35 L36	M1-H32 HydrophobicContact CE-CB 3.59Å; M1-H32 WeakPolarHBondContact CE-O 2.89Å; F28-H32 HydrophobicContact CD2-CB 3.86Å; F28-H32 HydrophobicContact CE2-CB 3.67Å; F28-H32 HydrophobicContact CZ-CB 4.19Å; F28-H32 WeakPolarHBondContact O-CA 3.31Å; F28-H32 VanDerWaalsContact O-CB 3.31Å; F28-H32 WeakPolarHBondContact O-CB 3.48Å; F28-H32 PolarHBondContact O-N 3.19Å; H32-L34 VanDerWaalsContact C-N 3.35Å; H32-L34 PolarHBondContact O-N 2.85Å; H32-S35 PolarHBondContact O-N 2.78Å; H32-L36 WeakPolarHBondContact O-CB 3.23Å; H32-L36 PolarHBondContact O-N 3.07Å
33	Y	93.1	Very high	93.6	Very high	39 Å²	39	56.7 Å²	56.7	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-45.9	-176.8	178.6	-102.5	0	0	0	113.1	F13 F28 I29 L36 K37 F45 I47	F13-Y33 HydrophobicContact CD2-CE2 4.24Å; F13-Y33 HydrophobicContact CE2-CD2 4.3Å; F13-Y33 HydrophobicContact CE2-CE2 4.11Å; F28-Y33 PolarHBondContact O-N 2.83Å; I29-Y33 HydrophobicContact CG2-CG 4.5Å; I29-Y33 WeakPolarHBondContact O-CB 3.47Å; I29-Y33 PolarHBondContact O-N 3Å; Y33-L36 PolarHBondContact O-N 3.15Å; Y33-K37 HydrophobicContact CE1-CD 4.34Å; Y33-K37 WeakPolarHBondContact O-CB 3.26Å; Y33-K37 PolarHBondContact O-N 3.14Å; Y33-F45 HydrophobicContact CD2-CD1 4.5Å; Y33-F45 HydrophobicContact CE2-CB 3.82Å; Y33-F45 AromaticContact CE2-CD1 3.97Å; Y33-F45 HydrophobicContact CE2-CD1 3.97Å; Y33-F45 HydrophobicContact CE2-CG 4.27Å; Y33-F45 VanDerWaalsContact OH-CB 3.28Å; Y33-F45 WeakPolarHBondContact OH-CB 3.49Å; Y33-I47 HydrophobicContact CD1-CD1 4.3Å; Y33-I47 HydrophobicContact CD2-CD1 4.03Å; Y33-I47 HydrophobicContact CD2-CG1 4.39Å; Y33-I47 HydrophobicContact CE1-CD1 4.02Å; Y33-I47 HydrophobicContact CE2-CD1 3.74Å; Y33-I47 HydrophobicContact CE2-CG1 3.83Å; Y33-I47 HydrophobicContact CG-CD1 4.29Å
34	L	93.1	Very high	93.7	Very high	127 Å²	127	59.9 Å²	59.9	67%	0.665	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-45.6	-177.1	-170.3	63.2	0	0	0	111.4	H32 L36 K37 S38	H32-L34 VanDerWaalsContact C-N 3.35Å; H32-L34 PolarHBondContact O-N 2.85Å; L34-L36 VanDerWaalsContact C-N 3.29Å; L34-L36 PolarHBondContact O-N 3.47Å; L34-K37 PolarHBondContact O-N 3.3Å; L34-S38 PolarHBondContact O-N 3.2Å; L34-S38 PolarHBondContact O-OG 2.79Å; L34-S38 VanDerWaalsContact O-OG 3.09Å
35	S	93.5	Very high	93.7	Very high	67 Å²	67	60.2 Å²	60.2	47%	0.469	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-34	176.1	-55.3	0	0	0	0	112.4	H32 A39	H32-S35 PolarHBondContact O-N 2.78Å; S35-A39 WeakPolarHBondContact O-CB 3.24Å; S35-A39 PolarHBondContact O-N 3.49Å; S35-A39 VanDerWaalsContact O-N 3.1Å
36	L	93.4	Very high	93.7	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-43.6	177.8	-173.4	64.9	0	0	0	110.9	M1 A2 F4 F13 F28 H32 Y33 L34 A39 N40 F45 L83	M1-L36 HydrophobicContact CE-CB 3.7Å; M1-L36 HydrophobicContact CE-CD1 4.5Å; M1-L36 HydrophobicContact CG-CB 4.23Å; M1-L36 HydrophobicContact CG-CD1 3.83Å; M1-L36 HydrophobicContact SD-CB 4.31Å; M1-L36 HydrophobicContact SD-CD1 4.02Å; A2-L36 HydrophobicContact CB-CD1 3.96Å; A2-L36 VanDerWaalsContact O-CD1 3.27Å; A2-L36 WeakPolarHBondContact O-CD1 3.33Å; F4-L36 HydrophobicContact CE2-CD1 3.93Å; F4-L36 HydrophobicContact CE2-CD2 4.33Å; F4-L36 HydrophobicContact CE2-CG 4.38Å; F13-L36 HydrophobicContact CZ-CD2 4.2Å; F28-L36 HydrophobicContact CZ-CD2 4.03Å; H32-L36 WeakPolarHBondContact O-CB 3.23Å; H32-L36 PolarHBondContact O-N 3.07Å; Y33-L36 PolarHBondContact O-N 3.15Å; L34-L36 VanDerWaalsContact C-N 3.29Å; L34-L36 PolarHBondContact O-N 3.47Å; L36-A39 PolarHBondContact O-N 3.01Å; L36-N40 PolarHBondContact O-N 2.91Å; L36-N40 PolarHBondContact O-ND2 3.29Å; L36-F45 HydrophobicContact CB-CE1 4.4Å; L36-F45 HydrophobicContact CD2-CE1 3.68Å; L36-F45 HydrophobicContact CD2-CZ 4.4Å; L36-F45 HydrophobicContact CG-CE1 3.71Å; L36-F45 HydrophobicContact CG-CZ 3.98Å; L36-L83 HydrophobicContact CD2-CD1 3.95Å
37	K	93.5	Very high	93.8	Very high	105 Å²	105	59.4 Å²	59.4	46%	0.457	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-45.7	176.5	-177.4	174.4	178.4	-176.4	0	111.5	Y33 L34 A39 N40 F45	Y33-K37 HydrophobicContact CE1-CD 4.34Å; Y33-K37 WeakPolarHBondContact O-CB 3.26Å; Y33-K37 PolarHBondContact O-N 3.14Å; L34-K37 PolarHBondContact O-N 3.3Å; K37-A39 VanDerWaalsContact C-N 3.28Å; K37-A39 PolarHBondContact O-N 2.94Å; K37-N40 CarbonylContact O-C 3.59Å; K37-N40 PolarHBondContact O-N 2.88Å; K37-N40 VanDerWaalsContact O-N 3.14Å; K37-F45 HydrophobicContact CB-CD2 4.02Å; K37-F45 HydrophobicContact CB-CE2 4.17Å; K37-F45 HydrophobicContact CB-CG 4.29Å; K37-F45 HydrophobicContact CG-CD2 3.81Å; K37-F45 HydrophobicContact CG-CE2 4.24Å; K37-F45 HydrophobicContact CG-CG 4.31Å
38	S	93.3	Very high	93.7	Very high	90 Å²	90	61.9 Å²	61.9	63%	0.629	33%	0.325	S	S	*	.	H	α-helix	trans	-63.7	-32.5	177.2	-62.2	0	0	0	0	113.1	L34 N40	L34-S38 PolarHBondContact O-N 3.2Å; L34-S38 PolarHBondContact O-OG 2.79Å; L34-S38 VanDerWaalsContact O-OG 3.09Å; S38-N40 VanDerWaalsContact C-N 3.29Å; S38-N40 PolarHBondContact O-N 2.85Å
39	A	92.9	Very high	93.4	Very high	34 Å²	34	68.9 Å²	68.9	28%	0.281	36%	0.357	S	S	.	.	H	α-helix	trans	-75.1	-15.4	176.9	0	0	0	0	0	113.9	M1 S35 L36 K37	M1-A39 HydrophobicContact CB-CB 4.41Å; M1-A39 HydrophobicContact CG-CB 4.34Å; S35-A39 WeakPolarHBondContact O-CB 3.24Å; S35-A39 PolarHBondContact O-N 3.49Å; S35-A39 VanDerWaalsContact O-N 3.1Å; L36-A39 PolarHBondContact O-N 3.01Å; K37-A39 VanDerWaalsContact C-N 3.28Å; K37-A39 PolarHBondContact O-N 2.94Å
40	N	93.6	Very high	92.8	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.011	37%	0.367	C	S	.	.			trans	-135.6	64.9	-172.3	-61.1	-79.4	0	0	0	111.5	A2 K3 F4 L36 K37 S38 H42 V43 F45	A2-N40 PolarHBondContact O-ND2 2.87Å; K3-N40 WeakPolarHBondContact CA-OD1 3.12Å; F4-N40 PolarHBondContact N-OD1 2.66Å; L36-N40 PolarHBondContact O-N 2.91Å; L36-N40 PolarHBondContact O-ND2 3.29Å; K37-N40 CarbonylContact O-C 3.59Å; K37-N40 PolarHBondContact O-N 2.88Å; K37-N40 VanDerWaalsContact O-N 3.14Å; S38-N40 VanDerWaalsContact C-N 3.29Å; S38-N40 PolarHBondContact O-N 2.85Å; N40-H42 PolarHBondContact O-N 3.46Å; N40-H42 VanDerWaalsContact O-N 3.15Å; N40-V43 HydrophobicContact CB-CB 4.13Å; N40-V43 HydrophobicContact CB-CG2 3.94Å; N40-V43 PolarHBondContact O-N 2.8Å; N40-V43 VanDerWaalsContact O-N 3.07Å; N40-F45 HydrophobicContact CB-CE2 4.01Å; N40-F45 HydrophobicContact CB-CZ 3.95Å
41	P	92.7	Very high	92.3	Very high	116 Å²	116	71.8 Å²	71.8	75%	0.753	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.6	-174.4	26.4	-35.4	0	0	0	114
42	H	91.1	Very high	91.6	Very high	84 Å²	84	70.2 Å²	70.2	39%	0.389	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-13	177.3	60.5	-71.7	0	0	0	114	F4 G5 N40	F4-H42 PolarHBondContact O-CE1 3.29Å; F4-H42 VanDerWaalsContact O-CE1 3.26Å; F4-H42 PolarHBondContact O-NE2 2.69Å; G5-H42 PolarHBondContact O-NE2 3.4Å; N40-H42 PolarHBondContact O-N 3.46Å; N40-H42 VanDerWaalsContact O-N 3.15Å
43	V	93.5	Very high	91.1	Very high	8 Å²	8	70.8 Å²	70.8	5%	0.048	39%	0.388	C	S	.	.	S	Bend	trans	-95.7	130.6	-178.3	-179.1	0	0	0	0	109.4	F4 V8 L11 N40 F45	F4-V43 HydrophobicContact CB-CG2 4.24Å; V8-V43 HydrophobicContact CB-CG2 4.44Å; V8-V43 HydrophobicContact CG1-CG1 4.07Å; V8-V43 HydrophobicContact CG1-CG2 4.3Å; L11-V43 HydrophobicContact CB-CG1 4.33Å; L11-V43 HydrophobicContact CD1-CG1 4.03Å; L11-V43 HydrophobicContact CG-CG1 3.91Å; N40-V43 HydrophobicContact CB-CB 4.13Å; N40-V43 HydrophobicContact CB-CG2 3.94Å; N40-V43 PolarHBondContact O-N 2.8Å; N40-V43 VanDerWaalsContact O-N 3.07Å; V43-F45 HydrophobicContact CB-CD2 4.4Å; V43-F45 HydrophobicContact CB-CE2 3.73Å; V43-F45 HydrophobicContact CB-CZ 4.19Å; V43-F45 HydrophobicContact CG1-CD2 4.34Å; V43-F45 HydrophobicContact CG1-CE2 3.91Å; V43-F45 HydrophobicContact CG1-CZ 4.12Å; V43-F45 WeakPolarHBondContact O-CD2 3.47Å; V43-F45 WeakPolarHBondContact O-CE2 3.27Å
44	K	94.3	Very high	90.9	Very high	116 Å²	116	72.6 Å²	72.6	50%	0.504	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.4	172	-176.1	-178.7	169.1	-149	0	110	R9 E10 L11 M46	R9-K44 WeakPolarHBondContact O-CB 3.46Å; R9-K44 PolarHBondContact O-N 2.95Å; E10-K44 CarbonylContact C-O 3.39Å; E10-K44 VanDerWaalsContact CA-O 3.23Å; E10-K44 WeakPolarHBondContact CA-O 3.43Å; E10-K44 HydrophobicContact CB-CB 4.3Å; E10-K44 HydrophobicContact CG-CB 4.18Å; E10-K44 HydrophobicContact CG-CD 4.3Å; E10-K44 HydrophobicContact CG-CG 4.3Å; E10-K44 WeakPolarHBondContact CG-O 3.46Å; E10-K44 WeakPolarHBondContact OE2-CD 3.43Å; E10-K44 IonicContact OE2-NZ 3.88Å; E10-K44 PolarHBondContact OE2-NZ 2.92Å; L11-K44 PolarHBondContact N-O 2.75Å; K44-M46 HydrophobicContact CD-SD 4.35Å; K44-M46 VanDerWaalsContact CE-SD 3.52Å; K44-M46 HydrophobicContact CG-CG 4.42Å; K44-M46 PolarHBondContact NZ-SD 3.29Å; K44-M46 VanDerWaalsContact NZ-SD 3.4Å
45	F	95.2	Very high	91	Very high	21 Å²	21	66.5 Å²	66.5	9%	0.092	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.2	177.4	-70.2	-98.5	0	0	0	111.1	L11 F13 Y33 L36 K37 N40 V43	L11-F45 HydrophobicContact CB-CD1 4.27Å; L11-F45 HydrophobicContact CB-CE1 4.33Å; L11-F45 HydrophobicContact CD1-CD1 4.37Å; L11-F45 HydrophobicContact CD1-CE1 3.64Å; L11-F45 HydrophobicContact CD1-CZ 4.02Å; F13-F45 AromaticContact CE2-CD1 3.86Å; F13-F45 HydrophobicContact CE2-CD1 3.86Å; F13-F45 HydrophobicContact CE2-CE1 4.45Å; F13-F45 HydrophobicContact CZ-CD1 4.4Å; Y33-F45 HydrophobicContact CD2-CD1 4.5Å; Y33-F45 HydrophobicContact CE2-CB 3.82Å; Y33-F45 AromaticContact CE2-CD1 3.97Å; Y33-F45 HydrophobicContact CE2-CD1 3.97Å; Y33-F45 HydrophobicContact CE2-CG 4.27Å; Y33-F45 VanDerWaalsContact OH-CB 3.28Å; Y33-F45 WeakPolarHBondContact OH-CB 3.49Å; L36-F45 HydrophobicContact CB-CE1 4.4Å; L36-F45 HydrophobicContact CD2-CE1 3.68Å; L36-F45 HydrophobicContact CD2-CZ 4.4Å; L36-F45 HydrophobicContact CG-CE1 3.71Å; L36-F45 HydrophobicContact CG-CZ 3.98Å; K37-F45 HydrophobicContact CB-CD2 4.02Å; K37-F45 HydrophobicContact CB-CE2 4.17Å; K37-F45 HydrophobicContact CB-CG 4.29Å; K37-F45 HydrophobicContact CG-CD2 3.81Å; K37-F45 HydrophobicContact CG-CE2 4.24Å; K37-F45 HydrophobicContact CG-CG 4.31Å; N40-F45 HydrophobicContact CB-CE2 4.01Å; N40-F45 HydrophobicContact CB-CZ 3.95Å; V43-F45 HydrophobicContact CB-CD2 4.4Å; V43-F45 HydrophobicContact CB-CE2 3.73Å; V43-F45 HydrophobicContact CB-CZ 4.19Å; V43-F45 HydrophobicContact CG1-CD2 4.34Å; V43-F45 HydrophobicContact CG1-CE2 3.91Å; V43-F45 HydrophobicContact CG1-CZ 4.12Å; V43-F45 WeakPolarHBondContact O-CD2 3.47Å; V43-F45 WeakPolarHBondContact O-CE2 3.27Å
46	M	95.1	Very high	91	Very high	26 Å²	26	66.3 Å²	66.3	13%	0.128	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129	179.3	-67.1	178.1	62.7	0	0	110.9	E10 L11 R12 F13 K44	E10-M46 HydrophobicContact CG-CG 4.43Å; E10-M46 HydrophobicContact CG-SD 3.98Å; E10-M46 VanDerWaalsContact OE2-SD 3.32Å; L11-M46 PolarHBondContact O-N 3.13Å; R12-M46 CarbonylContact C-O 3.53Å; R12-M46 VanDerWaalsContact CA-O 3.3Å; R12-M46 WeakPolarHBondContact CA-O 3.44Å; R12-M46 HydrophobicContact CB-CB 4.42Å; R12-M46 HydrophobicContact CG-CB 4.14Å; F13-M46 WeakPolarHBondContact CD2-O 3.49Å; F13-M46 PolarHBondContact N-O 3.19Å; K44-M46 HydrophobicContact CD-SD 4.35Å; K44-M46 VanDerWaalsContact CE-SD 3.52Å; K44-M46 HydrophobicContact CG-CG 4.42Å; K44-M46 PolarHBondContact NZ-SD 3.29Å; K44-M46 VanDerWaalsContact NZ-SD 3.4Å
47	I	94	Very high	91.1	Very high	52 Å²	52	66.3 Å²	66.3	27%	0.267	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.9	170	-59.3	166.2	0	0	0	107.6	F13 V15 I29 Y33	F13-I47 HydrophobicContact CB-CG1 4.39Å; F13-I47 HydrophobicContact CD2-CG1 4.45Å; V15-I47 HydrophobicContact CG2-CG2 4.23Å; I29-I47 HydrophobicContact CD1-CD1 4.39Å; I29-I47 HydrophobicContact CD1-CG1 4.39Å; I29-I47 HydrophobicContact CD1-CG2 4.2Å; I29-I47 HydrophobicContact CG2-CD1 3.71Å; Y33-I47 HydrophobicContact CD1-CD1 4.3Å; Y33-I47 HydrophobicContact CD2-CD1 4.03Å; Y33-I47 HydrophobicContact CD2-CG1 4.39Å; Y33-I47 HydrophobicContact CE1-CD1 4.02Å; Y33-I47 HydrophobicContact CE2-CD1 3.74Å; Y33-I47 HydrophobicContact CE2-CG1 3.83Å; Y33-I47 HydrophobicContact CG-CD1 4.29Å
48	R	93	Very high	91.2	Very high	120 Å²	120	63.3 Å²	63.3	45%	0.453	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	115.5	-179.5	-73.3	-65.4	178.8	-95.7	16.4	108.3	R12 F13 L14 V15	R12-R48 HydrophobicContact CG-CG 4Å; F13-R48 PolarHBondContact O-N 3.48Å; L14-R48 WeakPolarHBondContact CA-O 3.32Å; L14-R48 HydrophobicContact CD2-CB 3.59Å; L14-R48 HydrophobicContact CD2-CG 4.49Å; V15-R48 PolarHBondContact N-O 2.95Å
49	E	88.6	Confident	91.3	Very high	148 Å²	148	59 Å²	59	69%	0.692	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	132	176.5	-64.2	179.7	-179.4	0	0	108.8	V15	V15-E49 WeakPolarHBondContact O-CA 3.46Å
50	S	83.1	Confident	91.3	Very high	51 Å²	51	62.6 Å²	62.6	36%	0.357	33%	0.326	S	S	.	.			trans	-151.3	142.2	177.4	176.3	0	0	0	0	110	V15 A16 I53	V15-S50 PolarHBondContact O-N 2.79Å; A16-S50 VanDerWaalsContact CA-O 3.22Å; A16-S50 WeakPolarHBondContact CA-O 3.44Å; A16-S50 WeakPolarHBondContact CB-O 3.3Å; S50-I53 WeakPolarHBondContact O-CG1 3.39Å; S50-I53 WeakPolarHBondContact OG-CG2 3.15Å
51	E	82.5	Confident	91.3	Very high	147 Å²	147	63.7 Å²	63.7	69%	0.687	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	146.6	178.9	-61.7	-169.9	155.3	0	0	111.2	I53	E51-I53 PolarHBondContact O-N 3.33Å
52	G	80	Confident	91	Very high	85 Å²	85	62.3 Å²	62.3	88%	0.876	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	7	175.9	0	0	0	0	0	115.9
53	I	84.2	Confident	90.8	Very high	47 Å²	47	67 Å²	67	24%	0.241	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-96.2	146.9	179	60	151.1	0	0	0	113	L14 A16 S50 E51	L14-I53 HydrophobicContact CB-CD1 3.67Å; L14-I53 HydrophobicContact CD1-CD1 4.36Å; L14-I53 HydrophobicContact CD2-CD1 4.01Å; L14-I53 HydrophobicContact CG-CD1 4.24Å; A16-I53 HydrophobicContact CB-CG1 4.26Å; S50-I53 WeakPolarHBondContact O-CG1 3.39Å; S50-I53 WeakPolarHBondContact OG-CG2 3.15Å; E51-I53 PolarHBondContact O-N 3.33Å
54	T	89.4	Confident	90.5	Very high	77 Å²	77	68.6 Å²	68.6	47%	0.472	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-71	128.1	165.3	-49.4	0	0	0	0	109.1	K56 A72	T54-K56 PolarHBondContact O-N 3.15Å; T54-A72 HydrophobicContact CG2-CB 3.58Å
55	P	93.5	Very high	90.3	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-67.1	133	-177.2	29.5	-36.6	0	0	0	110.8	L14 S21 S22 I25 V71 A72	L14-P55 VanDerWaalsContact O-CA 3.25Å; L14-P55 WeakPolarHBondContact O-CA 2.9Å; S21-P55 WeakPolarHBondContact O-CG 3.48Å; S22-P55 WeakPolarHBondContact OG-CB 3.34Å; S22-P55 WeakPolarHBondContact OG-CD 3.25Å; S22-P55 WeakPolarHBondContact OG-CG 3.38Å; I25-P55 HydrophobicContact CD1-CB 4.38Å; I25-P55 HydrophobicContact CG2-CB 3.91Å; P55-V71 HydrophobicContact CB-CG2 4.02Å; P55-V71 HydrophobicContact CG-CG2 4.48Å; P55-V71 WeakPolarHBondContact O-CG2 3.45Å; P55-V71 PolarHBondContact O-N 3.23Å; P55-A72 HydrophobicContact CG-CB 4.06Å
56	K	94.9	Very high	90.2	Very high	63 Å²	63	74 Å²	74	27%	0.274	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.4	-174.6	-71.2	176.6	-175.6	-178	0	109.9	L14 T54 F58 Y68 I69	L14-K56 HydrophobicContact CB-CB 4.47Å; L14-K56 PolarHBondContact N-O 3.37Å; L14-K56 PolarHBondContact O-N 3.47Å; T54-K56 PolarHBondContact O-N 3.15Å; K56-F58 HydrophobicContact CB-CD2 4.31Å; K56-F58 HydrophobicContact CB-CE2 3.69Å; K56-F58 HydrophobicContact CB-CZ 4.47Å; K56-F58 HydrophobicContact CD-CE2 4.16Å; K56-F58 HydrophobicContact CD-CZ 4.15Å; K56-Y68 HydrophobicContact CD-CD2 4.01Å; K56-Y68 HydrophobicContact CD-CE2 4.36Å; K56-Y68 HydrophobicContact CG-CD2 4.48Å; K56-I69 CarbonylContact C-O 3.55Å; K56-I69 VanDerWaalsContact CA-O 3.28Å; K56-I69 WeakPolarHBondContact CA-O 3.31Å
57	V	95.3	Very high	90.2	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.3	167	-172.8	0	0	0	0	108.4	L11 R12 F13 I25 Y68 I69 V71 L83 L86	L11-V57 HydrophobicContact CD2-CG1 4.43Å; R12-V57 CarbonylContact O-C 3.48Å; R12-V57 WeakPolarHBondContact O-CA 3.3Å; F13-V57 HydrophobicContact CD1-CB 4.48Å; F13-V57 HydrophobicContact CD1-CG1 4.04Å; F13-V57 HydrophobicContact CD1-CG2 3.64Å; F13-V57 HydrophobicContact CE1-CG1 3.89Å; F13-V57 HydrophobicContact CE1-CG2 3.92Å; F13-V57 HydrophobicContact CZ-CG1 4.24Å; I25-V57 HydrophobicContact CD1-CG2 4.23Å; V57-Y68 CarbonylContact O-C 3.58Å; V57-Y68 VanDerWaalsContact O-CA 3.26Å; V57-Y68 WeakPolarHBondContact O-CA 3.24Å; V57-I69 HydrophobicContact CB-CD1 4.29Å; V57-I69 HydrophobicContact CB-CG1 3.93Å; V57-I69 PolarHBondContact N-O 3.4Å; V57-I69 PolarHBondContact O-N 3.18Å; V57-V71 HydrophobicContact CG2-CG1 4.09Å; V57-V71 HydrophobicContact CG2-CG2 4.17Å; V57-L83 HydrophobicContact CB-CD2 4.26Å; V57-L83 HydrophobicContact CG1-CD2 3.78Å; V57-L83 HydrophobicContact CG2-CD2 4.33Å; V57-L86 HydrophobicContact CB-CD1 4.43Å; V57-L86 HydrophobicContact CG1-CD1 4.04Å
58	F	94.9	Very high	90.2	Very high	43 Å²	43	78.3 Å²	78.3	19%	0.189	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	139	174.5	-66.5	-106.3	0	0	0	109.2	L11 R12 L14 K56 D67 Y68	L11-F58 CarbonylContact C-O 3.59Å; L11-F58 VanDerWaalsContact CA-O 3.31Å; L11-F58 WeakPolarHBondContact CA-O 3.31Å; R12-F58 HydrophobicContact CB-CB 4.19Å; R12-F58 PolarHBondContact N-O 3.22Å; R12-F58 PolarHBondContact O-N 3.03Å; L14-F58 HydrophobicContact CD1-CD2 4.09Å; L14-F58 HydrophobicContact CD1-CE2 3.33Å; L14-F58 HydrophobicContact CD1-CZ 4.08Å; L14-F58 HydrophobicContact CG-CD2 4.4Å; L14-F58 HydrophobicContact CG-CE2 4.09Å; K56-F58 HydrophobicContact CB-CD2 4.31Å; K56-F58 HydrophobicContact CB-CE2 3.69Å; K56-F58 HydrophobicContact CB-CZ 4.47Å; K56-F58 HydrophobicContact CD-CE2 4.16Å; K56-F58 HydrophobicContact CD-CZ 4.15Å; F58-D67 CarbonylContact C-O 3.59Å; F58-D67 VanDerWaalsContact CA-O 3.3Å; F58-D67 WeakPolarHBondContact CA-O 3.41Å; F58-Y68 HydrophobicContact CD1-CG 4.49Å; F58-Y68 HydrophobicContact CE1-CD1 4.11Å; F58-Y68 HydrophobicContact CE1-CG 4.1Å; F58-Y68 HydrophobicContact CZ-CG 4.33Å
59	A	94.9	Very high	90.3	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.5	163.5	0	0	0	0	0	109.1	E10 L11 Y61 E66 D67 L86	E10-A59 CarbonylContact O-C 3.58Å; E10-A59 WeakPolarHBondContact O-CA 3.49Å; L11-A59 HydrophobicContact CD2-CB 3.77Å; A59-Y61 HydrophobicContact CB-CE1 4.42Å; A59-Y61 HydrophobicContact CB-CE2 4.03Å; A59-Y61 WeakPolarHBondContact O-CE2 3.04Å; A59-E66 CarbonylContact O-C 3.59Å; A59-E66 VanDerWaalsContact O-CA 3.32Å; A59-E66 WeakPolarHBondContact O-CA 3.43Å; A59-D67 PolarHBondContact N-O 2.82Å; A59-D67 PolarHBondContact O-N 3.41Å; A59-L86 HydrophobicContact CB-CB 3.95Å; A59-L86 HydrophobicContact CB-CD1 4.04Å; A59-L86 HydrophobicContact CB-CD2 3.95Å; A59-L86 HydrophobicContact CB-CG 4.2Å
60	R	94.8	Very high	90.5	Very high	108 Å²	108	68.8 Å²	68.8	41%	0.408	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.5	167.9	-175.9	176.7	166.6	-174.5	0.8	109.2	R9 E10 K65 E66	R9-R60 PolarHBondContact N-O 3.39Å; E10-R60 HydrophobicContact CB-CB 3.98Å; E10-R60 PolarHBondContact N-O 3.1Å; E10-R60 PolarHBondContact O-N 2.96Å; R60-K65 CarbonylContact C-O 3.6Å; R60-K65 WeakPolarHBondContact CA-O 3.28Å; R60-E66 HydrophobicContact CB-CG 3.88Å; R60-E66 HydrophobicContact CG-CG 3.81Å
61	Y	92.5	Very high	91.1	Very high	26 Å²	26	66.4 Å²	66.4	10%	0.102	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-179.3	178.4	-52.4	-87.6	0	0	0	111.2	K7 V8 A59 G64 K65 D67 L86	K7-Y61 HydrophobicContact CB-CD1 4.47Å; K7-Y61 CarbonylContact O-C 3.55Å; K7-Y61 WeakPolarHBondContact O-CA 3.43Å; V8-Y61 HydrophobicContact CG2-CD1 4.03Å; V8-Y61 HydrophobicContact CG2-CE1 3.75Å; A59-Y61 HydrophobicContact CB-CE1 4.42Å; A59-Y61 HydrophobicContact CB-CE2 4.03Å; A59-Y61 WeakPolarHBondContact O-CE2 3.04Å; Y61-G64 PolarHBondContact O-N 2.91Å; Y61-K65 HydrophobicContact CD2-CB 4.38Å; Y61-K65 WeakPolarHBondContact CD2-O 3.43Å; Y61-K65 PolarHBondContact N-O 3.12Å; Y61-D67 HydrophobicContact CE2-CB 3.72Å; Y61-L86 VanDerWaalsContact CE1-O 3.25Å; Y61-L86 WeakPolarHBondContact CE1-O 3.34Å; Y61-L86 PolarHBondContact OH-O 3.37Å
62	E	87.3	Confident	91.6	Very high	86 Å²	86	60.5 Å²	60.5	40%	0.402	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-54.7	157.4	165.5	-63.9	-174.2	153.5	0	0	112.3	K7 R9 G64 K65	K7-E62 PolarHBondContact O-N 3.32Å; R9-E62 HydrophobicContact CG-CG 4.31Å; R9-E62 IonicContact CZ-OE1 2.87Å; R9-E62 IonicContact NE-OE1 3.97Å; R9-E62 IonicContact NH2-OE1 3.9Å; R9-E62 PolarHBondContact NH2-OE1 3.34Å; E62-G64 PolarHBondContact O-N 3.09Å; E62-G64 VanDerWaalsContact O-N 3.09Å; E62-K65 PolarHBondContact O-N 2.94Å
63	M	86.8	Confident	92.2	Very high	183 Å²	183	62.6 Å²	62.6	90%	0.901	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	59.3	16.6	-176.6	-53.5	-60.6	-176.1	0	0	114.4	K65	M63-K65 PolarHBondContact O-N 2.75Å
64	G	85.3	Confident	92.7	Very high	42 Å²	42	61.4 Å²	61.4	43%	0.433	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	73.3	11.8	177.4	0	0	0	0	0	114.6	Y61 E62	Y61-G64 PolarHBondContact O-N 2.91Å; E62-G64 PolarHBondContact O-N 3.09Å; E62-G64 VanDerWaalsContact O-N 3.09Å
65	K	91.6	Very high	93	Very high	151 Å²	151	61.2 Å²	61.2	66%	0.657	31%	0.307	S	S	*	.			trans	-65.2	137.1	172	-67	-176.1	177.4	-178.5	0	109.3	R60 Y61 E62 M63	R60-K65 CarbonylContact C-O 3.6Å; R60-K65 WeakPolarHBondContact CA-O 3.28Å; Y61-K65 HydrophobicContact CD2-CB 4.38Å; Y61-K65 WeakPolarHBondContact CD2-O 3.43Å; Y61-K65 PolarHBondContact N-O 3.12Å; E62-K65 PolarHBondContact O-N 2.94Å; M63-K65 PolarHBondContact O-N 2.75Å
66	E	93	Very high	93	Very high	100 Å²	100	61.3 Å²	61.3	47%	0.467	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.8	176.2	-67.5	-171.8	144.7	0	0	109.5	R12 A59 R60	R12-E66 IonicContact NH2-OE1 3.23Å; A59-E66 CarbonylContact O-C 3.59Å; A59-E66 VanDerWaalsContact O-CA 3.32Å; A59-E66 WeakPolarHBondContact O-CA 3.43Å; R60-E66 HydrophobicContact CB-CG 3.88Å; R60-E66 HydrophobicContact CG-CG 3.81Å
67	D	94	Very high	92.9	Very high	44 Å²	44	62.7 Å²	62.7	24%	0.235	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	160.1	170.8	-159.5	-5	0	0	0	108.5	F58 A59 Y61 R88	F58-D67 CarbonylContact C-O 3.59Å; F58-D67 VanDerWaalsContact CA-O 3.3Å; F58-D67 WeakPolarHBondContact CA-O 3.41Å; A59-D67 PolarHBondContact N-O 2.82Å; A59-D67 PolarHBondContact O-N 3.41Å; Y61-D67 HydrophobicContact CE2-CB 3.72Å; D67-R88 IonicContact OD2-CZ 3.43Å; D67-R88 IonicContact OD2-NE 2.75Å; D67-R88 IonicContact OD2-NH1 2.69Å; D67-R88 PolarHBondContact OD2-NH1 2.97Å
68	Y	94.1	Very high	92.9	Very high	124 Å²	124	66 Å²	66	49%	0.486	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150	177.9	71.8	-92.4	0	0	0	112.3	K56 V57 F58	K56-Y68 HydrophobicContact CD-CD2 4.01Å; K56-Y68 HydrophobicContact CD-CE2 4.36Å; K56-Y68 HydrophobicContact CG-CD2 4.48Å; V57-Y68 CarbonylContact O-C 3.58Å; V57-Y68 VanDerWaalsContact O-CA 3.26Å; V57-Y68 WeakPolarHBondContact O-CA 3.24Å; F58-Y68 HydrophobicContact CD1-CG 4.49Å; F58-Y68 HydrophobicContact CE1-CD1 4.11Å; F58-Y68 HydrophobicContact CE1-CG 4.1Å; F58-Y68 HydrophobicContact CZ-CG 4.33Å
69	I	94.8	Very high	92.9	Very high	22 Å²	22	63.9 Å²	63.9	11%	0.113	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.7	168.1	54.4	170.3	0	0	0	109.3	K56 V57 V71 R82 L83 L86	K56-I69 CarbonylContact C-O 3.55Å; K56-I69 VanDerWaalsContact CA-O 3.28Å; K56-I69 WeakPolarHBondContact CA-O 3.31Å; V57-I69 HydrophobicContact CB-CD1 4.29Å; V57-I69 HydrophobicContact CB-CG1 3.93Å; V57-I69 PolarHBondContact N-O 3.4Å; V57-I69 PolarHBondContact O-N 3.18Å; I69-V71 HydrophobicContact CD1-CG1 4.04Å; I69-V71 HydrophobicContact CG1-CG1 4.22Å; I69-R82 HydrophobicContact CD1-CB 3.77Å; I69-L83 HydrophobicContact CD1-CD2 4.3Å; I69-L86 HydrophobicContact CD1-CD1 3.95Å; I69-L86 HydrophobicContact CD1-CG 4.21Å; I69-L86 HydrophobicContact CG1-CD1 4.02Å; I69-L86 HydrophobicContact CG1-CD2 4.35Å; I69-L86 HydrophobicContact CG1-CG 4.3Å; I69-L86 HydrophobicContact CG2-CD2 3.89Å; I69-L86 HydrophobicContact CG2-CG 4.29Å
70	S	94	Very high	92.7	Very high	46 Å²	46	65.4 Å²	65.4	32%	0.322	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.8	164.5	-175.9	0	0	0	0	108.9	R82	S70-R82 PolarHBondContact O-NH1 2.79Å
71	V	94.7	Very high	92.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.339	C	S	.	.			trans	-123	22	175.6	-65.1	0	0	0	0	111.6	I25 P55 V57 I69 N73 N74 I79	I25-V71 HydrophobicContact CB-CG2 4.24Å; I25-V71 HydrophobicContact CD1-CG2 3.59Å; I25-V71 HydrophobicContact CG1-CG2 4.17Å; P55-V71 HydrophobicContact CB-CG2 4.02Å; P55-V71 HydrophobicContact CG-CG2 4.48Å; P55-V71 WeakPolarHBondContact O-CG2 3.45Å; P55-V71 PolarHBondContact O-N 3.23Å; V57-V71 HydrophobicContact CG2-CG1 4.09Å; V57-V71 HydrophobicContact CG2-CG2 4.17Å; I69-V71 HydrophobicContact CD1-CG1 4.04Å; I69-V71 HydrophobicContact CG1-CG1 4.22Å; V71-N73 PolarHBondContact O-N 3.41Å; V71-N74 WeakPolarHBondContact CA-OD1 3.37Å; V71-N74 PolarHBondContact O-N 3.48Å; V71-I79 HydrophobicContact CB-CD1 4.1Å; V71-I79 HydrophobicContact CB-CG1 3.92Å; V71-I79 HydrophobicContact CG1-CG1 3.99Å; V71-I79 HydrophobicContact CG1-CG2 4.38Å
72	A	94	Very high	92.6	Very high	24 Å²	24	67.5 Å²	67.5	20%	0.198	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	128	178.1	0	0	0	0	0	111.3	T54 P55 N74	T54-A72 HydrophobicContact CG2-CB 3.58Å; P55-A72 HydrophobicContact CG-CB 4.06Å; A72-N74 PolarHBondContact O-N 3.36Å; A72-N74 VanDerWaalsContact O-N 3.12Å
73	N	93.2	Very high	92.9	Very high	128 Å²	128	63.5 Å²	63.5	68%	0.684	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	12.4	-179.7	-49	-57.6	0	0	0	114.5	S21 V71	S21-N73 VanDerWaalsContact CA-OD1 3.23Å; S21-N73 WeakPolarHBondContact CA-OD1 3.42Å; S21-N73 WeakPolarHBondContact CB-OD1 3.47Å; S21-N73 PolarHBondContact O-N 2.94Å; V71-N73 PolarHBondContact O-N 3.41Å
74	N	94.6	Very high	93.1	Very high	22 Å²	22	61 Å²	61	12%	0.118	32%	0.318	C	S	.	.			trans	-81.2	147.1	173.3	-72.1	123.6	0	0	0	110.7	G24 V71 A72 D78 I79 R82	G24-N74 VanDerWaalsContact CA-O 3.31Å; G24-N74 WeakPolarHBondContact CA-O 3.45Å; V71-N74 WeakPolarHBondContact CA-OD1 3.37Å; V71-N74 PolarHBondContact O-N 3.48Å; A72-N74 PolarHBondContact O-N 3.36Å; A72-N74 VanDerWaalsContact O-N 3.12Å; N74-D78 HydrophobicContact CB-CB 3.91Å; N74-I79 HydrophobicContact CB-CD1 4.46Å; N74-I79 HydrophobicContact CB-CG1 3.87Å; N74-R82 PolarHBondContact ND2-NE 2.98Å; N74-R82 PolarHBondContact OD1-NE 2.87Å; N74-R82 PolarHBondContact OD1-NH1 3.08Å
75	T	95	Very high	93.3	Very high	73 Å²	73	62.7 Å²	62.7	45%	0.448	32%	0.32	S	S	.	.			trans	-74.1	167	170.7	65.9	0	0	0	0	111	D77 D78 I79	T75-D77 PolarHBondContact O-N 2.8Å; T75-D78 PolarHBondContact N-OD2 2.87Å; T75-D78 VanDerWaalsContact N-OD2 3.13Å; T75-D78 PolarHBondContact O-N 2.85Å; T75-D78 PolarHBondContact OG1-N 3.33Å; T75-D78 PolarHBondContact OG1-OD2 3.43Å; T75-I79 VanDerWaalsContact O-CG1 3.26Å; T75-I79 WeakPolarHBondContact O-CG1 3.5Å; T75-I79 PolarHBondContact O-N 3.45Å
76	A	93.6	Very high	93.3	Very high	3 Å²	3	55.6 Å²	55.6	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-37.9	176.4	0	0	0	0	0	112.5	D27 F28 I79 I80	D27-A76 HydrophobicContact CB-CB 4.38Å; D27-A76 WeakPolarHBondContact OD2-CB 3.42Å; F28-A76 HydrophobicContact CB-CB 4Å; A76-I79 PolarHBondContact O-N 3.3Å; A76-I80 WeakPolarHBondContact O-CG1 3.23Å; A76-I80 PolarHBondContact O-N 3.4Å; A76-I80 VanDerWaalsContact O-N 3.15Å
77	D	93	Very high	92.9	Very high	91 Å²	91	54 Å²	54	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-71.7	-37.2	179.1	-62.1	-58.7	0	0	0	112.5	R31 T75 I79 I80 S81	R31-D77 IonicContact NH2-OD1 3.12Å; T75-D77 PolarHBondContact O-N 2.8Å; D77-I79 VanDerWaalsContact C-N 3.31Å; D77-I79 PolarHBondContact O-N 2.9Å; D77-I80 WeakPolarHBondContact O-CB 3.35Å; D77-I80 PolarHBondContact O-N 3.12Å; D77-S81 PolarHBondContact O-N 3.46Å; D77-S81 PolarHBondContact O-OG 3.3Å
78	D	94.2	Very high	91.8	Very high	69 Å²	69	59.5 Å²	59.5	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-40.6	171.7	-67	-39.5	0	0	0	111.4	N74 T75 I80 S81 R82	N74-D78 HydrophobicContact CB-CB 3.91Å; T75-D78 PolarHBondContact N-OD2 2.87Å; T75-D78 VanDerWaalsContact N-OD2 3.13Å; T75-D78 PolarHBondContact O-N 2.85Å; T75-D78 PolarHBondContact OG1-N 3.33Å; T75-D78 PolarHBondContact OG1-OD2 3.43Å; D78-I80 VanDerWaalsContact C-N 3.34Å; D78-I80 PolarHBondContact O-N 2.83Å; D78-S81 WeakPolarHBondContact O-CB 3.32Å; D78-S81 PolarHBondContact O-N 3.49Å; D78-S81 VanDerWaalsContact O-N 3.15Å; D78-R82 WeakPolarHBondContact O-CG 3.4Å; D78-R82 PolarHBondContact O-N 3.36Å
79	I	94.6	Very high	89.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-42.4	178.4	-68	170	0	0	0	110.3	I25 F28 V71 N74 T75 A76 D77 S81 R82 L83	I25-I79 VanDerWaalsContact CA-CD1 3.47Å; I25-I79 HydrophobicContact CB-CD1 3.83Å; I25-I79 HydrophobicContact CG1-CD1 4.24Å; F28-I79 HydrophobicContact CB-CB 4.49Å; F28-I79 HydrophobicContact CB-CD1 4.11Å; F28-I79 HydrophobicContact CB-CG2 4.35Å; F28-I79 HydrophobicContact CD1-CG2 3.98Å; F28-I79 HydrophobicContact CD2-CB 4.12Å; F28-I79 HydrophobicContact CD2-CG2 3.78Å; F28-I79 HydrophobicContact CE1-CG2 4.28Å; F28-I79 HydrophobicContact CE2-CG2 4.09Å; F28-I79 HydrophobicContact CG-CB 4.25Å; F28-I79 HydrophobicContact CG-CG2 3.74Å; F28-I79 HydrophobicContact CZ-CG2 4.34Å; V71-I79 HydrophobicContact CB-CD1 4.1Å; V71-I79 HydrophobicContact CB-CG1 3.92Å; V71-I79 HydrophobicContact CG1-CG1 3.99Å; V71-I79 HydrophobicContact CG1-CG2 4.38Å; N74-I79 HydrophobicContact CB-CD1 4.46Å; N74-I79 HydrophobicContact CB-CG1 3.87Å; T75-I79 VanDerWaalsContact O-CG1 3.26Å; T75-I79 WeakPolarHBondContact O-CG1 3.5Å; T75-I79 PolarHBondContact O-N 3.45Å; A76-I79 PolarHBondContact O-N 3.3Å; D77-I79 VanDerWaalsContact C-N 3.31Å; D77-I79 PolarHBondContact O-N 2.9Å; I79-S81 VanDerWaalsContact C-N 3.25Å; I79-S81 PolarHBondContact O-N 3.39Å; I79-R82 PolarHBondContact O-N 3.22Å; I79-L83 HydrophobicContact CG2-CD1 4.09Å; I79-L83 HydrophobicContact CG2-CG 4.2Å; I79-L83 WeakPolarHBondContact O-CB 3.26Å; I79-L83 VanDerWaalsContact O-CG 3.24Å; I79-L83 WeakPolarHBondContact O-CG 3.29Å; I79-L83 PolarHBondContact O-N 3Å
80	I	92.4	Very high	89.7	Confident	32 Å²	32	63.4 Å²	63.4	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-55.7	-44.5	173.8	-67.8	166.1	0	0	0	110.8	F28 A76 D77 D78	F28-I80 HydrophobicContact CD2-CG1 3.93Å; F28-I80 HydrophobicContact CE2-CG1 3.58Å; A76-I80 WeakPolarHBondContact O-CG1 3.23Å; A76-I80 PolarHBondContact O-N 3.4Å; A76-I80 VanDerWaalsContact O-N 3.15Å; D77-I80 WeakPolarHBondContact O-CB 3.35Å; D77-I80 PolarHBondContact O-N 3.12Å; D78-I80 VanDerWaalsContact C-N 3.34Å; D78-I80 PolarHBondContact O-N 2.83Å
81	S	92.3	Very high	89.4	Confident	72 Å²	72	64.3 Å²	64.3	50%	0.503	34%	0.337	S	S	.	.	H	α-helix	trans	-67.4	-42.7	-179.7	-61.8	0	0	0	0	111.8	D77 D78 I79 K84	D77-S81 PolarHBondContact O-N 3.46Å; D77-S81 PolarHBondContact O-OG 3.3Å; D78-S81 WeakPolarHBondContact O-CB 3.32Å; D78-S81 PolarHBondContact O-N 3.49Å; D78-S81 VanDerWaalsContact O-N 3.15Å; I79-S81 VanDerWaalsContact C-N 3.25Å; I79-S81 PolarHBondContact O-N 3.39Å; S81-K84 WeakPolarHBondContact O-CB 3.18Å; S81-K84 PolarHBondContact O-N 3.31Å
82	R	92.4	Very high	89.2	Confident	106 Å²	106	67.8 Å²	67.8	40%	0.4	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-36	177	-71.3	-176.6	172.6	-137.6	-5.3	112.8	I69 S70 N74 D78 I79 K84 T85	I69-R82 HydrophobicContact CD1-CB 3.77Å; S70-R82 PolarHBondContact O-NH1 2.79Å; N74-R82 PolarHBondContact ND2-NE 2.98Å; N74-R82 PolarHBondContact OD1-NE 2.87Å; N74-R82 PolarHBondContact OD1-NH1 3.08Å; D78-R82 WeakPolarHBondContact O-CG 3.4Å; D78-R82 PolarHBondContact O-N 3.36Å; I79-R82 PolarHBondContact O-N 3.22Å; R82-K84 PolarHBondContact O-N 3.28Å; R82-K84 VanDerWaalsContact O-N 3.15Å; R82-T85 WeakPolarHBondContact O-CB 3.3Å; R82-T85 PolarHBondContact O-N 3.21Å; R82-T85 PolarHBondContact O-OG1 3.05Å
83	L	93	Very high	88.9	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-57.7	-31.9	177.8	-78.1	172.8	0	0	0	112.3	F4 F13 F28 L36 V57 I69 I79 T85 L86	F4-L83 WeakPolarHBondContact CE1-O 3.3Å; F4-L83 HydrophobicContact CZ-CB 4.25Å; F13-L83 HydrophobicContact CE1-CD2 4.34Å; F28-L83 HydrophobicContact CE1-CD1 3.95Å; F28-L83 HydrophobicContact CE2-CD1 3.8Å; F28-L83 HydrophobicContact CZ-CD1 3.28Å; L36-L83 HydrophobicContact CD2-CD1 3.95Å; V57-L83 HydrophobicContact CB-CD2 4.26Å; V57-L83 HydrophobicContact CG1-CD2 3.78Å; V57-L83 HydrophobicContact CG2-CD2 4.33Å; I69-L83 HydrophobicContact CD1-CD2 4.3Å; I79-L83 HydrophobicContact CG2-CD1 4.09Å; I79-L83 HydrophobicContact CG2-CG 4.2Å; I79-L83 WeakPolarHBondContact O-CB 3.26Å; I79-L83 VanDerWaalsContact O-CG 3.24Å; I79-L83 WeakPolarHBondContact O-CG 3.29Å; I79-L83 PolarHBondContact O-N 3Å; L83-T85 PolarHBondContact O-N 3.15Å; L83-L86 HydrophobicContact CD2-CD1 3.97Å; L83-L86 WeakPolarHBondContact O-CB 3.5Å; L83-L86 PolarHBondContact O-N 3.26Å
84	K	90.8	Very high	88.6	Confident	131 Å²	131	66.8 Å²	66.8	57%	0.57	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61	-27	175.3	-61.6	176.9	-177.1	174.9	0	112.7	A2 S81 R82 L86 D87	A2-K84 HydrophobicContact CB-CG 4.41Å; S81-K84 WeakPolarHBondContact O-CB 3.18Å; S81-K84 PolarHBondContact O-N 3.31Å; R82-K84 PolarHBondContact O-N 3.28Å; R82-K84 VanDerWaalsContact O-N 3.15Å; K84-L86 PolarHBondContact O-N 3.21Å; K84-D87 WeakPolarHBondContact O-CB 3.5Å; K84-D87 PolarHBondContact O-N 3Å; K84-D87 VanDerWaalsContact O-N 3.14Å
85	T	90.7	Very high	88.2	Confident	78 Å²	78	69.8 Å²	69.8	48%	0.479	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-71.9	-15.9	178.4	74.2	0	0	0	0	112.8	R82 L83 D87 R88	R82-T85 WeakPolarHBondContact O-CB 3.3Å; R82-T85 PolarHBondContact O-N 3.21Å; R82-T85 PolarHBondContact O-OG1 3.05Å; L83-T85 PolarHBondContact O-N 3.15Å; T85-D87 VanDerWaalsContact C-N 3.32Å; T85-R88 WeakPolarHBondContact O-CG 3.22Å
86	L	90.8	Very high	87.7	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-80.7	-13.1	173.3	-62.9	173.5	0	0	0	112.2	F4 L11 V57 A59 Y61 I69 L83 K84 R88	F4-L86 HydrophobicContact CE1-CB 4.25Å; L11-L86 HydrophobicContact CD2-CD1 4.04Å; V57-L86 HydrophobicContact CB-CD1 4.43Å; V57-L86 HydrophobicContact CG1-CD1 4.04Å; A59-L86 HydrophobicContact CB-CB 3.95Å; A59-L86 HydrophobicContact CB-CD1 4.04Å; A59-L86 HydrophobicContact CB-CD2 3.95Å; A59-L86 HydrophobicContact CB-CG 4.2Å; Y61-L86 VanDerWaalsContact CE1-O 3.25Å; Y61-L86 WeakPolarHBondContact CE1-O 3.34Å; Y61-L86 PolarHBondContact OH-O 3.37Å; I69-L86 HydrophobicContact CD1-CD1 3.95Å; I69-L86 HydrophobicContact CD1-CG 4.21Å; I69-L86 HydrophobicContact CG1-CD1 4.02Å; I69-L86 HydrophobicContact CG1-CD2 4.35Å; I69-L86 HydrophobicContact CG1-CG 4.3Å; I69-L86 HydrophobicContact CG2-CD2 3.89Å; I69-L86 HydrophobicContact CG2-CG 4.29Å; L83-L86 HydrophobicContact CD2-CD1 3.97Å; L83-L86 WeakPolarHBondContact O-CB 3.5Å; L83-L86 PolarHBondContact O-N 3.26Å; K84-L86 PolarHBondContact O-N 3.21Å; L86-R88 PolarHBondContact O-N 3.48Å
87	D	84.7	Confident	87.3	Confident	67 Å²	67	74.7 Å²	74.7	36%	0.358	38%	0.379	S	S	.	.			trans	-80.8	56.3	174.2	-164.9	38.2	0	0	0	110.9	F4 G5 K84 T85 V89	F4-D87 WeakPolarHBondContact CA-OD1 3.48Å; F4-D87 HydrophobicContact CD1-CB 3.99Å; G5-D87 PolarHBondContact N-OD1 3.01Å; K84-D87 WeakPolarHBondContact O-CB 3.5Å; K84-D87 PolarHBondContact O-N 3Å; K84-D87 VanDerWaalsContact O-N 3.14Å; T85-D87 VanDerWaalsContact C-N 3.32Å; D87-V89 PolarHBondContact O-N 3.26Å
88	R	71	Confident	86.8	Confident	160 Å²	160	73.3 Å²	73.3	60%	0.604	37%	0.37	S	S	*	.			trans	-73.9	116	178.2	-69.4	-179.3	165.6	-178.8	-11.6	108.6	D67 T85 L86	D67-R88 IonicContact OD2-CZ 3.43Å; D67-R88 IonicContact OD2-NE 2.75Å; D67-R88 IonicContact OD2-NH1 2.69Å; D67-R88 PolarHBondContact OD2-NH1 2.97Å; T85-R88 WeakPolarHBondContact O-CG 3.22Å; L86-R88 PolarHBondContact O-N 3.48Å
89	V	54.5	Low	86.1	Confident	163 Å²	163	73.7 Å²	73.7	99%	0.988	37%	0.371	S	S	*	.			trans	-35.1	0	-174.4	-178.4	0	0	0	0	114.5	K7 D87	K7-V89 WeakPolarHBondContact CD-OXT 3.25Å; K7-V89 WeakPolarHBondContact CE-OXT 3.18Å; K7-V89 PolarHBondContact NZ-O 2.74Å; K7-V89 PolarHBondContact NZ-OXT 3.48Å; D87-V89 PolarHBondContact O-N 3.26Å

Retrieved 89 of 89 residues in 71.8 ms (Link to these results)

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