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V-type proton ATPase subunit F

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments.

AlphaFold DB , UniProt , Accession A0A060WJD5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene vatf, Length 119 aa.

						>A0A060WJD5_ONCMY|A0A060WJD5|vatf
MAGRGKLIAVIGDEDTCTGFLLGGIGELNKNRKPNFLVVEKETSIAEIEETFKSFLTRNDIGIILINQFIAEMIRHAIDQHMESIPAVLEIPSKEHPYDASKDSILRRAKGMFSAEDFR
					

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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	40.4	Very low	75.8	Confident	245 Å²	245	86.4 Å²	86.4	100%	1.207	50%	0.498	S	S	*	.				0	98.4	0	-70.3	-172.2	-177.8	0	0	108.3	G3	M1-G3 PolarHBondContact O-N 2.88Å; M1-G3 VanDerWaalsContact O-N 3.15Å
2	A	43.5	Very low	77.6	Confident	120 Å²	120	79.2 Å²	79.2	99%	0.992	46%	0.456	S	S	*	.			trans	-84.5	70.3	168.4	0	0	0	0	0	107.7
3	G	42.6	Very low	79.1	Confident	61 Å²	61	74.9 Å²	74.9	63%	0.629	43%	0.431	S	S	*	.			trans	-115.3	113	-167.8	0	0	0	0	0	111.3	M1	M1-G3 PolarHBondContact O-N 2.88Å; M1-G3 VanDerWaalsContact O-N 3.15Å
4	R	60.6	Low	80.3	Confident	250 Å²	250	78.8 Å²	78.8	94%	0.943	44%	0.443	S	S	*	.	S	Bend	trans	54	125.7	178.4	-81.6	-179.1	169.8	150.5	-2.6	115.2
5	G	74.3	Confident	81.3	Confident	74 Å²	74	79.3 Å²	79.3	76%	0.763	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-54.6	143.3	173.9	0	0	0	0	0	110.9
6	K	87.4	Confident	82.3	Confident	111 Å²	111	75.5 Å²	75.5	48%	0.483	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-71.3	148.4	173	-63.9	-162.4	174.1	-155.2	0	110.1	D60 I85	K6-D60 CarbonylContact C-O 3.48Å; K6-D60 WeakPolarHBondContact CA-O 3.45Å; K6-I85 HydrophobicContact CD-CG2 4.4Å
7	L	94.6	Very high	83.1	Confident	32 Å²	32	71.2 Å²	71.2	17%	0.168	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	156.4	178.5	-56.5	175	0	0	0	111.2	E27 D60 G62 I63	L7-E27 HydrophobicContact CD1-CB 4.4Å; L7-E27 HydrophobicContact CD1-CG 4.44Å; L7-E27 VanDerWaalsContact CD1-OE1 3.23Å; L7-E27 WeakPolarHBondContact CD1-OE1 3.34Å; L7-E27 WeakPolarHBondContact CD2-OE2 3.33Å; L7-D60 HydrophobicContact CD1-CB 4.4Å; L7-D60 PolarHBondContact N-O 3.16Å; L7-G62 PolarHBondContact O-N 3.11Å; L7-I63 PolarHBondContact O-N 2.93Å
8	I	96.3	Very high	83.8	Confident	56 Å²	56	71.1 Å²	71.1	29%	0.287	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.8	166.8	-57.2	177.4	0	0	0	106.8	I25 N35 I63 L65	I8-I25 HydrophobicContact CD1-CG2 4.4Å; I8-I25 HydrophobicContact CG2-CD1 4.19Å; I8-N35 PolarHBondContact O-ND2 3.39Å; I8-I63 CarbonylContact C-O 3.57Å; I8-I63 WeakPolarHBondContact CA-O 3.47Å; I8-I63 HydrophobicContact CG1-CB 4.36Å; I8-I63 HydrophobicContact CG2-CB 4.46Å; I8-I63 HydrophobicContact CG2-CG2 4.48Å; I8-L65 HydrophobicContact CG2-CD1 3.87Å; I8-L65 HydrophobicContact CG2-CG 3.87Å
9	A	97.7	Very high	84.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	152.7	171.7	0	0	0	0	0	111.1	N35 F55 I61 I63 I64 L65	A9-N35 CarbonylContact C-O 3.46Å; A9-N35 WeakPolarHBondContact CA-O 3.32Å; A9-N35 HydrophobicContact CB-CB 4.33Å; A9-N35 WeakPolarHBondContact CB-O 3.44Å; A9-F55 HydrophobicContact CB-CD2 3.75Å; A9-F55 HydrophobicContact CB-CE2 3.93Å; A9-F55 HydrophobicContact CB-CG 4.08Å; A9-F55 HydrophobicContact CB-CZ 4.41Å; A9-I61 HydrophobicContact CB-CD1 3.75Å; A9-I61 HydrophobicContact CB-CG1 4.33Å; A9-I61 HydrophobicContact CB-CG2 4.04Å; A9-I63 PolarHBondContact N-O 3.45Å; A9-I64 HydrophobicContact CB-CG1 4.37Å; A9-I64 CarbonylContact O-C 3.57Å; A9-I64 WeakPolarHBondContact O-CA 3.26Å; A9-L65 PolarHBondContact O-N 3.06Å
10	V	98.1	Very high	85.1	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.006	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.8	-176.1	178.9	0	0	0	0	111.7	T16 F20 I25 N35 F36 L37 L65	V10-T16 HydrophobicContact CG1-CG2 4.41Å; V10-F20 HydrophobicContact CG1-CD2 4.21Å; V10-F20 HydrophobicContact CG2-CB 4.17Å; V10-F20 HydrophobicContact CG2-CD2 4.16Å; V10-F20 HydrophobicContact CG2-CG 4.09Å; V10-I25 HydrophobicContact CB-CD1 4.3Å; V10-I25 HydrophobicContact CG2-CD1 3.15Å; V10-N35 PolarHBondContact N-O 2.98Å; V10-F36 HydrophobicContact CB-CB 4.27Å; V10-F36 CarbonylContact O-C 3.56Å; V10-F36 WeakPolarHBondContact O-CA 3.31Å; V10-F36 WeakPolarHBondContact O-CB 3.21Å; V10-L37 PolarHBondContact O-N 2.86Å; V10-L65 CarbonylContact C-O 3.42Å; V10-L65 WeakPolarHBondContact CA-O 3.44Å; V10-L65 HydrophobicContact CG2-CB 4.16Å; V10-L65 HydrophobicContact CG2-CD1 4.2Å; V10-L65 HydrophobicContact CG2-CG 4.47Å
11	I	98.1	Very high	85.5	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	107.7	168	-58.6	177.1	0	0	0	106.7	L37 V39 I48 F52 F55 L65 I66 N67 I70	I11-L37 HydrophobicContact CG1-CB 4.4Å; I11-L37 HydrophobicContact CG2-CB 4.49Å; I11-L37 HydrophobicContact CG2-CD2 4.31Å; I11-V39 HydrophobicContact CG2-CG2 3.87Å; I11-I48 HydrophobicContact CG2-CG2 4.25Å; I11-F52 HydrophobicContact CD1-CB 3.94Å; I11-F52 HydrophobicContact CD1-CD2 4.19Å; I11-F55 HydrophobicContact CD1-CD2 3.98Å; I11-F55 HydrophobicContact CD1-CE2 4.12Å; I11-F55 HydrophobicContact CG1-CD2 4.02Å; I11-F55 HydrophobicContact CG1-CE2 3.72Å; I11-L65 PolarHBondContact N-O 3.3Å; I11-I66 HydrophobicContact CB-CB 4.39Å; I11-I66 HydrophobicContact CB-CD1 4.23Å; I11-I66 HydrophobicContact CB-CG1 4.04Å; I11-I66 HydrophobicContact CD1-CD1 4.45Å; I11-I66 HydrophobicContact CG2-CD1 4.18Å; I11-I66 HydrophobicContact CG2-CG1 4.23Å; I11-I66 VanDerWaalsContact O-CA 3.26Å; I11-I66 WeakPolarHBondContact O-CA 3.46Å; I11-N67 PolarHBondContact O-N 3.2Å; I11-N67 VanDerWaalsContact O-N 3.11Å; I11-I70 HydrophobicContact CG2-CG2 4.06Å
12	G	97.8	Very high	88.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	171.8	-170.6	0	0	0	0	0	114.7	L37 V38 V39 N67	G12-L37 PolarHBondContact N-O 2.88Å; G12-V38 CarbonylContact O-C 3.58Å; G12-V38 WeakPolarHBondContact O-CA 3.22Å; G12-V39 PolarHBondContact O-N 3.15Å; G12-N67 WeakPolarHBondContact CA-OD1 3.49Å
13	D	96.9	Very high	90.6	Very high	24 Å²	24	61.8 Å²	61.8	13%	0.128	36%	0.358	C	S	.	.			trans	-65.6	167	167.1	60.9	27	0	0	0	111.6	D15 T16 C17 N67 F69 S93	D13-D15 VanDerWaalsContact C-N 3.3Å; D13-D15 PolarHBondContact O-N 2.9Å; D13-T16 PolarHBondContact O-N 2.98Å; D13-T16 WeakPolarHBondContact OD1-CB 3.43Å; D13-T16 PolarHBondContact OD1-N 3.12Å; D13-T16 PolarHBondContact OD1-OG1 3.09Å; D13-C17 PolarHBondContact O-N 3.08Å; D13-N67 PolarHBondContact N-OD1 2.74Å; D13-F69 HydrophobicContact CB-CZ 4.27Å; D13-S93 WeakPolarHBondContact OD2-CB 3.5Å; D13-S93 PolarHBondContact OD2-OG 3.1Å
14	E	96.1	Very high	93	Very high	129 Å²	129	61.9 Å²	61.9	60%	0.603	36%	0.359	S	S	*	.	H	α-helix	trans	-54.4	-45.2	-177.2	-173.5	-176.3	178	0	0	112.5	T18 V38	E14-T18 WeakPolarHBondContact O-CB 3.5Å; E14-T18 PolarHBondContact O-N 3.43Å; E14-T18 PolarHBondContact O-OG1 3.49Å; E14-V38 HydrophobicContact CB-CG1 4.12Å
15	D	95.7	Very high	94.5	Very high	87 Å²	87	51.7 Å²	51.7	47%	0.465	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-45.4	179.2	-81.5	-43.3	0	0	0	111.1	D13 G19 K94	D13-D15 VanDerWaalsContact C-N 3.3Å; D13-D15 PolarHBondContact O-N 2.9Å; D15-G19 PolarHBondContact O-N 3.3Å; D15-K94 HydrophobicContact CB-CD 4.36Å; D15-K94 IonicContact OD1-NZ 2.67Å; D15-K94 WeakPolarHBondContact OD2-CD 3.26Å; D15-K94 IonicContact OD2-NZ 3.58Å; D15-K94 PolarHBondContact OD2-NZ 3.21Å
16	T	96.1	Very high	95.4	Very high	18 Å²	18	50 Å²	50	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-52	179	-60.4	0	0	0	0	111	V10 D13 T18 G19 F20 N67 I91	V10-T16 HydrophobicContact CG1-CG2 4.41Å; D13-T16 PolarHBondContact O-N 2.98Å; D13-T16 WeakPolarHBondContact OD1-CB 3.43Å; D13-T16 PolarHBondContact OD1-N 3.12Å; D13-T16 PolarHBondContact OD1-OG1 3.09Å; T16-T18 VanDerWaalsContact C-N 3.33Å; T16-T18 PolarHBondContact O-N 3.01Å; T16-G19 PolarHBondContact O-N 3.31Å; T16-F20 HydrophobicContact CG2-CD2 3.8Å; T16-F20 HydrophobicContact CG2-CE2 3.77Å; T16-F20 VanDerWaalsContact O-CD2 3.26Å; T16-F20 WeakPolarHBondContact O-CD2 3.32Å; T16-F20 PolarHBondContact O-N 2.82Å; T16-F20 VanDerWaalsContact O-N 3.11Å; T16-N67 PolarHBondContact OG1-ND2 3.17Å; T16-N67 PolarHBondContact OG1-OD1 3.32Å; T16-I91 HydrophobicContact CG2-CD1 3.7Å
17	C	96.3	Very high	95.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-44.6	179.6	-74.5	0	0	0	0	111.4	D13 G19 F20 L21 L37 V38	D13-C17 PolarHBondContact O-N 3.08Å; C17-G19 PolarHBondContact O-N 3.47Å; C17-F20 PolarHBondContact O-N 3.37Å; C17-L21 WeakPolarHBondContact O-CB 3.43Å; C17-L21 WeakPolarHBondContact O-CG 3.43Å; C17-L21 PolarHBondContact O-N 2.95Å; C17-L37 PolarHBondContact SG-O 3.11Å; C17-L37 VanDerWaalsContact SG-O 3.4Å; C17-V38 HydrophobicContact CB-CG2 3.84Å
18	T	95.9	Very high	95.6	Very high	69 Å²	69	52 Å²	52	42%	0.423	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-47.1	178.1	-61.3	0	0	0	0	111.5	E14 T16 F20 L21 L22	E14-T18 WeakPolarHBondContact O-CB 3.5Å; E14-T18 PolarHBondContact O-N 3.43Å; E14-T18 PolarHBondContact O-OG1 3.49Å; T16-T18 VanDerWaalsContact C-N 3.33Å; T16-T18 PolarHBondContact O-N 3.01Å; T18-F20 PolarHBondContact O-N 2.76Å; T18-L21 PolarHBondContact O-N 3.42Å; T18-L22 HydrophobicContact CG2-CD1 4.25Å; T18-L22 WeakPolarHBondContact O-CG 3.23Å; T18-L22 PolarHBondContact O-N 2.76Å
19	G	96.3	Very high	95.2	Very high	43 Å²	43	51.1 Å²	51.1	44%	0.443	32%	0.315	S	S	.	.	H	α-helix	trans	-58.7	-44.5	178.4	0	0	0	0	0	112.9	D15 T16 C17 L22 G23	D15-G19 PolarHBondContact O-N 3.3Å; T16-G19 PolarHBondContact O-N 3.31Å; C17-G19 PolarHBondContact O-N 3.47Å; G19-L22 PolarHBondContact O-N 2.78Å; G19-G23 PolarHBondContact O-N 3.27Å; G19-G23 VanDerWaalsContact O-N 3.12Å
20	F	96.4	Very high	94.8	Very high	65 Å²	65	61.2 Å²	61.2	29%	0.285	36%	0.358	S	S	.	.	H	α-helix	trans	-70	-39.2	177.9	-83	-66.5	0	0	0	113.2	V10 T16 C17 T18 L22 G23 G24 I25 L65 I91	V10-F20 HydrophobicContact CG1-CD2 4.21Å; V10-F20 HydrophobicContact CG2-CB 4.17Å; V10-F20 HydrophobicContact CG2-CD2 4.16Å; V10-F20 HydrophobicContact CG2-CG 4.09Å; T16-F20 HydrophobicContact CG2-CD2 3.8Å; T16-F20 HydrophobicContact CG2-CE2 3.77Å; T16-F20 VanDerWaalsContact O-CD2 3.26Å; T16-F20 WeakPolarHBondContact O-CD2 3.32Å; T16-F20 PolarHBondContact O-N 2.82Å; T16-F20 VanDerWaalsContact O-N 3.11Å; C17-F20 PolarHBondContact O-N 3.37Å; T18-F20 PolarHBondContact O-N 2.76Å; F20-L22 VanDerWaalsContact C-N 3.29Å; F20-L22 PolarHBondContact O-N 3.4Å; F20-G23 CarbonylContact O-C 3.54Å; F20-G23 VanDerWaalsContact O-CA 3.28Å; F20-G23 WeakPolarHBondContact O-CA 3.18Å; F20-G23 PolarHBondContact O-N 3.01Å; F20-G24 PolarHBondContact O-N 3.28Å; F20-I25 HydrophobicContact CB-CD1 3.56Å; F20-I25 HydrophobicContact CB-CG1 3.93Å; F20-I25 HydrophobicContact CD1-CD1 4.15Å; F20-I25 HydrophobicContact CG-CD1 4.06Å; F20-I25 WeakPolarHBondContact O-CG1 3.38Å; F20-L65 HydrophobicContact CD1-CD1 3.99Å; F20-L65 HydrophobicContact CE1-CD1 3.38Å; F20-L65 HydrophobicContact CE2-CD1 3.98Å; F20-L65 HydrophobicContact CZ-CD1 3.39Å; F20-I91 HydrophobicContact CE2-CD1 3.48Å; F20-I91 VanDerWaalsContact CE2-CD1 3.48Å; F20-I91 HydrophobicContact CZ-CD1 3.98Å
21	L	95.3	Very high	94.4	Very high	63 Å²	63	67.2 Å²	67.2	33%	0.33	39%	0.391	S	S	.	.	H	α-helix	trans	-60.9	-39.6	175.2	-71.9	174.1	0	0	0	111.5	C17 T18 G23 G24 G26 F36	C17-L21 WeakPolarHBondContact O-CB 3.43Å; C17-L21 WeakPolarHBondContact O-CG 3.43Å; C17-L21 PolarHBondContact O-N 2.95Å; T18-L21 PolarHBondContact O-N 3.42Å; L21-G23 PolarHBondContact O-N 2.83Å; L21-G24 PolarHBondContact O-N 3.43Å; L21-G26 VanDerWaalsContact CD2-CA 3.44Å; L21-F36 HydrophobicContact CD1-CD2 4.34Å; L21-F36 HydrophobicContact CD1-CE1 4.35Å; L21-F36 HydrophobicContact CD1-CE2 4.03Å; L21-F36 HydrophobicContact CD1-CZ 4.03Å; L21-F36 HydrophobicContact CD2-CD1 3.72Å; L21-F36 HydrophobicContact CD2-CE1 3.7Å; L21-F36 HydrophobicContact CD2-CG 4.28Å; L21-F36 HydrophobicContact CD2-CZ 4.23Å
22	L	95.7	Very high	94.1	Very high	148 Å²	148	77.1 Å²	77.1	78%	0.775	43%	0.428	S	S	*	.	H	α-helix	trans	-63.3	-31.7	170.9	-69.3	172.2	0	0	0	112.5	T18 G19 F20 G24	T18-L22 HydrophobicContact CG2-CD1 4.25Å; T18-L22 WeakPolarHBondContact O-CG 3.23Å; T18-L22 PolarHBondContact O-N 2.76Å; G19-L22 PolarHBondContact O-N 2.78Å; F20-L22 VanDerWaalsContact C-N 3.29Å; F20-L22 PolarHBondContact O-N 3.4Å; L22-G24 PolarHBondContact O-N 3.45Å
23	G	93.8	Very high	93.7	Very high	64 Å²	64	82.9 Å²	82.9	66%	0.66	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.5	171	0	0	0	0	0	114.7	G19 F20 L21	G19-G23 PolarHBondContact O-N 3.27Å; G19-G23 VanDerWaalsContact O-N 3.12Å; F20-G23 CarbonylContact O-C 3.54Å; F20-G23 VanDerWaalsContact O-CA 3.28Å; F20-G23 WeakPolarHBondContact O-CA 3.18Å; F20-G23 PolarHBondContact O-N 3.01Å; L21-G23 PolarHBondContact O-N 2.83Å
24	G	92.9	Very high	93.7	Very high	64 Å²	64	84 Å²	84	66%	0.66	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	15.1	172.8	0	0	0	0	0	115.2	F20 L21 L22 G26	F20-G24 PolarHBondContact O-N 3.28Å; L21-G24 PolarHBondContact O-N 3.43Å; L22-G24 PolarHBondContact O-N 3.45Å; G24-G26 VanDerWaalsContact C-N 3.34Å
25	I	93.3	Very high	93.7	Very high	35 Å²	35	77.9 Å²	77.9	18%	0.179	43%	0.433	C	S	.	.			trans	-79.7	-16.7	178.9	73.5	161.5	0	0	0	113.6	I8 V10 F20 E27 N35	I8-I25 HydrophobicContact CD1-CG2 4.4Å; I8-I25 HydrophobicContact CG2-CD1 4.19Å; V10-I25 HydrophobicContact CB-CD1 4.3Å; V10-I25 HydrophobicContact CG2-CD1 3.15Å; F20-I25 HydrophobicContact CB-CD1 3.56Å; F20-I25 HydrophobicContact CB-CG1 3.93Å; F20-I25 HydrophobicContact CD1-CD1 4.15Å; F20-I25 HydrophobicContact CG-CD1 4.06Å; F20-I25 WeakPolarHBondContact O-CG1 3.38Å; I25-E27 PolarHBondContact O-N 2.98Å; I25-N35 PolarHBondContact O-ND2 2.84Å
26	G	92.3	Very high	93.8	Very high	38 Å²	38	76.3 Å²	76.3	39%	0.392	42%	0.422	S	S	.	.			trans	-67	125.7	-170.7	0	0	0	0	0	112.5	L21 G24	L21-G26 VanDerWaalsContact CD2-CA 3.44Å; G24-G26 VanDerWaalsContact C-N 3.34Å
27	E	93.8	Very high	93.9	Very high	81 Å²	81	76.5 Å²	76.5	38%	0.379	42%	0.422	S	S	.	.			trans	-136.9	137.5	177	-171.4	177.5	116.7	0	0	111.3	L7 I25 P34 N35	L7-E27 HydrophobicContact CD1-CB 4.4Å; L7-E27 HydrophobicContact CD1-CG 4.44Å; L7-E27 VanDerWaalsContact CD1-OE1 3.23Å; L7-E27 WeakPolarHBondContact CD1-OE1 3.34Å; L7-E27 WeakPolarHBondContact CD2-OE2 3.33Å; I25-E27 PolarHBondContact O-N 2.98Å; E27-P34 WeakPolarHBondContact O-CA 3.39Å; E27-N35 PolarHBondContact N-OD1 3.48Å; E27-N35 PolarHBondContact O-N 3.41Å; E27-N35 VanDerWaalsContact O-N 3.09Å; E27-N35 PolarHBondContact O-OD1 3.46Å; E27-N35 VanDerWaalsContact O-OD1 3.12Å
28	L	92.4	Very high	93.9	Very high	106 Å²	106	78.6 Å²	78.6	56%	0.555	44%	0.435	S	S	*	.	B	Isolated β-bridge	trans	-100.2	125.5	165.7	-64.2	178.4	0	0	0	109.2	P34	L28-P34 HydrophobicContact CD2-CB 3.95Å
29	N	88.6	Confident	94	Very high	37 Å²	37	76 Å²	76	20%	0.198	42%	0.419	C	S	.	.			trans	-71.9	179	175.3	76.5	10.5	0	0	0	111.8	N31 R32 K33	N29-N31 PolarHBondContact O-N 3.4Å; N29-N31 WeakPolarHBondContact OD1-CA 3.47Å; N29-N31 WeakPolarHBondContact OD1-CB 3.4Å; N29-N31 PolarHBondContact OD1-N 3.26Å; N29-R32 WeakPolarHBondContact O-CA 3.46Å; N29-R32 PolarHBondContact O-N 3.41Å; N29-R32 PolarHBondContact OD1-N 3.17Å; N29-K33 PolarHBondContact N-O 3.07Å; N29-K33 PolarHBondContact OD1-N 2.97Å
30	K	88.8	Confident	93.9	Very high	211 Å²	211	79.6 Å²	79.6	92%	0.917	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.4	179	-63	-176.9	-178.6	178.8	0	114.3	R32	K30-R32 VanDerWaalsContact C-N 3.29Å
31	N	90.4	Very high	93.6	Very high	128 Å²	128	86.1 Å²	86.1	68%	0.684	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	13.4	178.6	-60.1	-22	0	0	0	112.1	N29 K33	N29-N31 PolarHBondContact O-N 3.4Å; N29-N31 WeakPolarHBondContact OD1-CA 3.47Å; N29-N31 WeakPolarHBondContact OD1-CB 3.4Å; N29-N31 PolarHBondContact OD1-N 3.26Å; N31-K33 HydrophobicContact CB-CG 4.38Å; N31-K33 PolarHBondContact O-N 2.86Å
32	R	90.5	Very high	93.5	Very high	207 Å²	207	90.4 Å²	90.4	78%	0.781	47%	0.471	S	S	*	.	S	Bend	trans	57.8	24.8	-175.7	-54.7	-178.8	67.3	160.4	1.5	113.8	N29 K30	N29-R32 WeakPolarHBondContact O-CA 3.46Å; N29-R32 PolarHBondContact O-N 3.41Å; N29-R32 PolarHBondContact OD1-N 3.17Å; K30-R32 VanDerWaalsContact C-N 3.29Å
33	K	91.3	Very high	93.5	Very high	121 Å²	121	84.3 Å²	84.3	53%	0.526	44%	0.44	S	S	.	.			trans	-85.1	129.6	171.6	-60.1	-168.9	173.5	-166.9	0	109.7	N29 N31	N29-K33 PolarHBondContact N-O 3.07Å; N29-K33 PolarHBondContact OD1-N 2.97Å; N31-K33 HydrophobicContact CB-CG 4.38Å; N31-K33 PolarHBondContact O-N 2.86Å
34	P	95.9	Very high	93.7	Very high	49 Å²	49	84 Å²	84	32%	0.318	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-70.3	160.3	176.7	30.4	-34.8	0	0	0	112	E27 L28 F36 R58	E27-P34 WeakPolarHBondContact O-CA 3.39Å; L28-P34 HydrophobicContact CD2-CB 3.95Å; P34-F36 VanDerWaalsContact C-N 3.26Å; P34-F36 HydrophobicContact CB-CD1 3.71Å; P34-F36 HydrophobicContact CB-CE1 3.56Å; P34-F36 HydrophobicContact CB-CE2 4.49Å; P34-F36 HydrophobicContact CB-CG 4.25Å; P34-F36 HydrophobicContact CB-CZ 3.98Å; P34-F36 WeakPolarHBondContact CG-O 3.36Å; P34-R58 PolarHBondContact O-NH1 3.34Å
35	N	96.1	Very high	93.8	Very high	0 Å²	0	85.1 Å²	85.1	0%	0	42%	0.418	C	S	.	.	S	Bend	trans	-91.7	20.4	163.7	66.1	-25	0	0	0	112.2	I8 A9 V10 I25 E27	I8-N35 PolarHBondContact O-ND2 3.39Å; A9-N35 CarbonylContact C-O 3.46Å; A9-N35 WeakPolarHBondContact CA-O 3.32Å; A9-N35 HydrophobicContact CB-CB 4.33Å; A9-N35 WeakPolarHBondContact CB-O 3.44Å; V10-N35 PolarHBondContact N-O 2.98Å; I25-N35 PolarHBondContact O-ND2 2.84Å; E27-N35 PolarHBondContact N-OD1 3.48Å; E27-N35 PolarHBondContact O-N 3.41Å; E27-N35 VanDerWaalsContact O-N 3.09Å; E27-N35 PolarHBondContact O-OD1 3.46Å; E27-N35 VanDerWaalsContact O-OD1 3.12Å
36	F	97.6	Very high	94	Very high	54 Å²	54	86.7 Å²	86.7	24%	0.237	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.1	176.2	62.9	-85.6	0	0	0	111.6	V10 L21 P34 V38	V10-F36 HydrophobicContact CB-CB 4.27Å; V10-F36 CarbonylContact O-C 3.56Å; V10-F36 WeakPolarHBondContact O-CA 3.31Å; V10-F36 WeakPolarHBondContact O-CB 3.21Å; L21-F36 HydrophobicContact CD1-CD2 4.34Å; L21-F36 HydrophobicContact CD1-CE1 4.35Å; L21-F36 HydrophobicContact CD1-CE2 4.03Å; L21-F36 HydrophobicContact CD1-CZ 4.03Å; L21-F36 HydrophobicContact CD2-CD1 3.72Å; L21-F36 HydrophobicContact CD2-CE1 3.7Å; L21-F36 HydrophobicContact CD2-CG 4.28Å; L21-F36 HydrophobicContact CD2-CZ 4.23Å; P34-F36 VanDerWaalsContact C-N 3.26Å; P34-F36 HydrophobicContact CB-CD1 3.71Å; P34-F36 HydrophobicContact CB-CE1 3.56Å; P34-F36 HydrophobicContact CB-CE2 4.49Å; P34-F36 HydrophobicContact CB-CG 4.25Å; P34-F36 HydrophobicContact CB-CZ 3.98Å; P34-F36 WeakPolarHBondContact CG-O 3.36Å; F36-V38 HydrophobicContact CD2-CG2 4.25Å; F36-V38 HydrophobicContact CE2-CG2 4.4Å
37	L	97.9	Very high	94.3	Very high	22 Å²	22	88.9 Å²	88.9	12%	0.115	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.6	170.4	178.5	67.1	0	0	0	108.4	V10 I11 G12 C17 V39 I48 T51	V10-L37 PolarHBondContact O-N 2.86Å; I11-L37 HydrophobicContact CG1-CB 4.4Å; I11-L37 HydrophobicContact CG2-CB 4.49Å; I11-L37 HydrophobicContact CG2-CD2 4.31Å; G12-L37 PolarHBondContact N-O 2.88Å; C17-L37 PolarHBondContact SG-O 3.11Å; C17-L37 VanDerWaalsContact SG-O 3.4Å; L37-V39 HydrophobicContact CD2-CG2 4.1Å; L37-V39 HydrophobicContact CG-CG2 4.15Å; L37-I48 HydrophobicContact CD2-CG1 4.39Å; L37-T51 HydrophobicContact CB-CG2 3.91Å; L37-T51 HydrophobicContact CD2-CG2 3.99Å; L37-T51 HydrophobicContact CG-CG2 4.44Å
38	V	97.3	Very high	94.5	Very high	45 Å²	45	85 Å²	85	27%	0.273	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.4	168.6	-176.1	0	0	0	0	107.4	G12 E14 C17 F36 E40	G12-V38 CarbonylContact O-C 3.58Å; G12-V38 WeakPolarHBondContact O-CA 3.22Å; E14-V38 HydrophobicContact CB-CG1 4.12Å; C17-V38 HydrophobicContact CB-CG2 3.84Å; F36-V38 HydrophobicContact CD2-CG2 4.25Å; F36-V38 HydrophobicContact CE2-CG2 4.4Å; V38-E40 HydrophobicContact CG1-CG 4.37Å
39	V	96.8	Very high	94.7	Very high	16 Å²	16	81.8 Å²	81.8	10%	0.097	40%	0.4	C	S	.	.			trans	-99	113.7	179.9	-179.6	0	0	0	0	108.5	I11 G12 L37 T43 I48 I70	I11-V39 HydrophobicContact CG2-CG2 3.87Å; G12-V39 PolarHBondContact O-N 3.15Å; L37-V39 HydrophobicContact CD2-CG2 4.1Å; L37-V39 HydrophobicContact CG-CG2 4.15Å; V39-T43 HydrophobicContact CG1-CG2 4.3Å; V39-I48 HydrophobicContact CG1-CD1 3.85Å; V39-I48 HydrophobicContact CG1-CG1 4.41Å; V39-I48 HydrophobicContact CG2-CD1 4.43Å; V39-I48 HydrophobicContact CG2-CG1 4.21Å; V39-I70 HydrophobicContact CB-CD1 3.77Å; V39-I70 HydrophobicContact CG1-CD1 4.16Å; V39-I70 HydrophobicContact CG1-CG1 4.44Å; V39-I70 HydrophobicContact CG2-CD1 3.84Å; V39-I70 HydrophobicContact CG2-CG2 4.29Å
40	E	94.6	Very high	95.1	Very high	117 Å²	117	86.8 Å²	86.8	55%	0.547	42%	0.422	S	S	.	.			trans	-103.1	178.8	174.8	-63.3	-179.8	177.9	0	0	110	V38 E42 T43	V38-E40 HydrophobicContact CG1-CG 4.37Å; E40-E42 PolarHBondContact O-N 3.43Å; E40-T43 PolarHBondContact N-OG1 2.92Å; E40-T43 WeakPolarHBondContact O-CB 3.03Å; E40-T43 PolarHBondContact O-N 2.9Å; E40-T43 PolarHBondContact O-OG1 2.93Å
41	K	90.6	Very high	95.5	Very high	203 Å²	203	78.1 Å²	78.1	88%	0.883	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-26.3	-179	-67.7	177.9	-179.3	174.2	0	112.3
42	E	93.6	Very high	95.9	Very high	152 Å²	152	72 Å²	72	71%	0.71	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.9	-177.8	-61.5	69.8	-153.8	0	0	112.1	E40 S44	E40-E42 PolarHBondContact O-N 3.43Å; E42-S44 PolarHBondContact O-N 3.49Å
43	T	95.3	Very high	96.2	Very high	21 Å²	21	66.7 Å²	66.7	13%	0.129	34%	0.337	C	S	.	.			trans	-66.3	124.8	178.5	-54.1	0	0	0	0	110.1	V39 E40 E47 I48	V39-T43 HydrophobicContact CG1-CG2 4.3Å; E40-T43 PolarHBondContact N-OG1 2.92Å; E40-T43 WeakPolarHBondContact O-CB 3.03Å; E40-T43 PolarHBondContact O-N 2.9Å; E40-T43 PolarHBondContact O-OG1 2.93Å; T43-E47 HydrophobicContact CG2-CB 4.41Å; T43-E47 HydrophobicContact CG2-CG 4.31Å; T43-I48 HydrophobicContact CG2-CD1 4.33Å; T43-I48 HydrophobicContact CG2-CG1 3.85Å
44	S	97.2	Very high	96.4	Very high	57 Å²	57	63 Å²	63	40%	0.399	33%	0.326	S	S	.	.			trans	-77.8	149.5	-176.8	73.7	0	0	0	0	112.2	E42 A46 E47 I48	E42-S44 PolarHBondContact O-N 3.49Å; S44-A46 PolarHBondContact O-N 3.5Å; S44-E47 WeakPolarHBondContact O-CB 3.32Å; S44-E47 PolarHBondContact O-N 2.83Å; S44-E47 VanDerWaalsContact O-N 3.09Å; S44-E47 WeakPolarHBondContact OG-CB 3.06Å; S44-E47 PolarHBondContact OG-N 2.99Å; S44-E47 VanDerWaalsContact OG-N 3.16Å; S44-I48 WeakPolarHBondContact O-CG1 3.47Å; S44-I48 PolarHBondContact O-N 3.06Å; S44-I48 VanDerWaalsContact O-N 3.16Å
45	I	96.6	Very high	96.4	Very high	88 Å²	88	61 Å²	61	45%	0.451	31%	0.312	S	S	.	.	H	α-helix	trans	-56.8	-37.4	174.1	-60.7	172	0	0	0	110.9	E47 I48 E49 M73 I74	I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 2.81Å; I45-I48 PolarHBondContact O-N 3.4Å; I45-E49 WeakPolarHBondContact O-CB 3.32Å; I45-E49 PolarHBondContact O-N 2.96Å; I45-M73 HydrophobicContact CD1-CE 4.41Å; I45-M73 HydrophobicContact CG1-CE 3.7Å; I45-I74 HydrophobicContact CG2-CG2 4.05Å
46	A	97.2	Very high	96.4	Very high	68 Å²	68	63 Å²	63	56%	0.562	32%	0.323	S	S	*	.	H	α-helix	trans	-62.1	-40.4	178.3	0	0	0	0	0	112.4	S44 E49 E50	S44-A46 PolarHBondContact O-N 3.5Å; A46-E49 PolarHBondContact O-N 3.12Å; A46-E50 WeakPolarHBondContact O-CB 3.45Å; A46-E50 PolarHBondContact O-N 3.41Å
47	E	97.2	Very high	96.2	Very high	83 Å²	83	65.5 Å²	65.5	39%	0.388	34%	0.343	S	S	.	.	H	α-helix	trans	-67.5	-40.4	177.6	-179.6	178.3	178.6	0	0	112.2	T43 S44 I45 E50 T51	T43-E47 HydrophobicContact CG2-CB 4.41Å; T43-E47 HydrophobicContact CG2-CG 4.31Å; S44-E47 WeakPolarHBondContact O-CB 3.32Å; S44-E47 PolarHBondContact O-N 2.83Å; S44-E47 VanDerWaalsContact O-N 3.09Å; S44-E47 WeakPolarHBondContact OG-CB 3.06Å; S44-E47 PolarHBondContact OG-N 2.99Å; S44-E47 VanDerWaalsContact OG-N 3.16Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 2.81Å; E47-E50 PolarHBondContact O-N 2.85Å; E47-T51 VanDerWaalsContact O-CB 3.31Å; E47-T51 WeakPolarHBondContact O-CB 3.44Å; E47-T51 PolarHBondContact O-N 3.31Å; E47-T51 PolarHBondContact O-OG1 3.4Å
48	I	97.8	Very high	95.9	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-47.1	175	-59.8	166.9	0	0	0	109.7	I11 L37 V39 T43 S44 I45 T51 F52 I70 M73 I74	I11-I48 HydrophobicContact CG2-CG2 4.25Å; L37-I48 HydrophobicContact CD2-CG1 4.39Å; V39-I48 HydrophobicContact CG1-CD1 3.85Å; V39-I48 HydrophobicContact CG1-CG1 4.41Å; V39-I48 HydrophobicContact CG2-CD1 4.43Å; V39-I48 HydrophobicContact CG2-CG1 4.21Å; T43-I48 HydrophobicContact CG2-CD1 4.33Å; T43-I48 HydrophobicContact CG2-CG1 3.85Å; S44-I48 WeakPolarHBondContact O-CG1 3.47Å; S44-I48 PolarHBondContact O-N 3.06Å; S44-I48 VanDerWaalsContact O-N 3.16Å; I45-I48 PolarHBondContact O-N 3.4Å; I48-T51 PolarHBondContact O-N 3.31Å; I48-F52 WeakPolarHBondContact O-CB 3.41Å; I48-F52 PolarHBondContact O-N 3.44Å; I48-I70 HydrophobicContact CD1-CG2 4.17Å; I48-I70 HydrophobicContact CG2-CG2 3.76Å; I48-M73 HydrophobicContact CD1-CE 3.96Å; I48-M73 HydrophobicContact CD1-SD 4.31Å; I48-I74 HydrophobicContact CB-CG2 4.27Å; I48-I74 HydrophobicContact CG2-CD1 4.06Å; I48-I74 HydrophobicContact CG2-CG1 4.32Å; I48-I74 HydrophobicContact CG2-CG2 3.95Å
49	E	97.4	Very high	95.6	Very high	39 Å²	39	70.8 Å²	70.8	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-64.9	-44.2	179.5	-174.5	175.5	165.1	0	0	112.3	I45 A46 T51 F52 K53 I74 H76 A77	I45-E49 WeakPolarHBondContact O-CB 3.32Å; I45-E49 PolarHBondContact O-N 2.96Å; A46-E49 PolarHBondContact O-N 3.12Å; E49-T51 VanDerWaalsContact C-N 3.33Å; E49-T51 PolarHBondContact O-N 2.88Å; E49-F52 PolarHBondContact O-N 3.31Å; E49-K53 HydrophobicContact CG-CD 4.36Å; E49-K53 WeakPolarHBondContact O-CG 3.28Å; E49-K53 PolarHBondContact O-N 3.03Å; E49-K53 VanDerWaalsContact OE1-CE 3.22Å; E49-K53 WeakPolarHBondContact OE1-CE 3.33Å; E49-K53 IonicContact OE1-NZ 3.54Å; E49-K53 PolarHBondContact OE1-NZ 2.75Å; E49-I74 HydrophobicContact CB-CG2 3.98Å; E49-H76 VanDerWaalsContact CD-NE2 3.3Å; E49-H76 IonicContact OE1-NE2 3.17Å; E49-H76 PolarHBondContact OE1-NE2 3.11Å; E49-H76 IonicContact OE2-CE1 3.49Å; E49-H76 PolarHBondContact OE2-CE1 3.38Å; E49-H76 IonicContact OE2-NE2 2.74Å; E49-H76 PolarHBondContact OE2-NE2 2.94Å; E49-A77 HydrophobicContact CG-CB 4.09Å
50	E	97.3	Very high	95.4	Very high	142 Å²	142	73 Å²	73	66%	0.664	38%	0.378	S	S	*	.	H	α-helix	trans	-61.5	-43.7	176.5	-175.2	-179.7	175.5	0	0	111.1	A46 E47 K53 S54	A46-E50 WeakPolarHBondContact O-CB 3.45Å; A46-E50 PolarHBondContact O-N 3.41Å; E47-E50 PolarHBondContact O-N 2.85Å; E50-K53 PolarHBondContact O-N 3.43Å; E50-S54 WeakPolarHBondContact O-CB 3.22Å; E50-S54 PolarHBondContact O-N 3.4Å
51	T	97.5	Very high	95.4	Very high	29 Å²	29	67.4 Å²	67.4	18%	0.178	35%	0.353	C	S	.	.	H	α-helix	trans	-66.9	-42.6	179.5	-58.7	0	0	0	0	111.7	L37 E47 I48 E49 S54 F55	L37-T51 HydrophobicContact CB-CG2 3.91Å; L37-T51 HydrophobicContact CD2-CG2 3.99Å; L37-T51 HydrophobicContact CG-CG2 4.44Å; E47-T51 VanDerWaalsContact O-CB 3.31Å; E47-T51 WeakPolarHBondContact O-CB 3.44Å; E47-T51 PolarHBondContact O-N 3.31Å; E47-T51 PolarHBondContact O-OG1 3.4Å; I48-T51 PolarHBondContact O-N 3.31Å; E49-T51 VanDerWaalsContact C-N 3.33Å; E49-T51 PolarHBondContact O-N 2.88Å; T51-S54 WeakPolarHBondContact O-CB 3.46Å; T51-S54 PolarHBondContact O-N 3.2Å; T51-F55 HydrophobicContact CG2-CD2 4.29Å; T51-F55 HydrophobicContact CG2-CE1 4.08Å; T51-F55 HydrophobicContact CG2-CE2 3.77Å; T51-F55 HydrophobicContact CG2-CZ 3.64Å; T51-F55 WeakPolarHBondContact O-CG 3.22Å; T51-F55 PolarHBondContact O-N 2.64Å
52	F	97.8	Very high	95.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.5	-50.4	173.9	177.5	-108	0	0	0	111.3	I11 I48 E49 S54 F55 L56 I64 I74 A77 I78 V88	I11-F52 HydrophobicContact CD1-CB 3.94Å; I11-F52 HydrophobicContact CD1-CD2 4.19Å; I48-F52 WeakPolarHBondContact O-CB 3.41Å; I48-F52 PolarHBondContact O-N 3.44Å; E49-F52 PolarHBondContact O-N 3.31Å; F52-S54 VanDerWaalsContact C-N 3.33Å; F52-S54 PolarHBondContact O-N 2.88Å; F52-F55 PolarHBondContact O-N 3.39Å; F52-F55 VanDerWaalsContact O-N 3.11Å; F52-L56 HydrophobicContact CD1-CD1 4.1Å; F52-L56 HydrophobicContact CD1-CG 4.46Å; F52-L56 HydrophobicContact CE1-CD1 3.57Å; F52-L56 HydrophobicContact CE1-CD2 4.46Å; F52-L56 HydrophobicContact CE1-CG 4.13Å; F52-L56 HydrophobicContact CE2-CD2 4.29Å; F52-L56 HydrophobicContact CZ-CD1 3.94Å; F52-L56 HydrophobicContact CZ-CD2 4.01Å; F52-L56 HydrophobicContact CZ-CG 4.15Å; F52-L56 WeakPolarHBondContact O-CG 3.46Å; F52-L56 PolarHBondContact O-N 2.85Å; F52-I64 HydrophobicContact CD2-CG2 4.46Å; F52-I64 HydrophobicContact CE2-CD1 4.35Å; F52-I64 HydrophobicContact CE2-CG2 4.5Å; F52-I74 HydrophobicContact CB-CD1 3.8Å; F52-I74 HydrophobicContact CD1-CD1 4.06Å; F52-I74 HydrophobicContact CD2-CD1 4.28Å; F52-I74 HydrophobicContact CG-CD1 3.78Å; F52-A77 HydrophobicContact CD1-CB 4.14Å; F52-A77 HydrophobicContact CE1-CB 4.29Å; F52-I78 HydrophobicContact CE1-CG1 4.02Å; F52-I78 HydrophobicContact CE2-CG1 4.19Å; F52-I78 HydrophobicContact CZ-CB 4.4Å; F52-I78 HydrophobicContact CZ-CG1 3.76Å; F52-V88 HydrophobicContact CE2-CG1 4.05Å; F52-V88 HydrophobicContact CE2-CG2 3.88Å; F52-V88 HydrophobicContact CZ-CG1 4.48Å; F52-V88 HydrophobicContact CZ-CG2 4Å
53	K	96.6	Very high	95.8	Very high	95 Å²	95	54 Å²	54	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-41.2	176.4	-72	176.8	-174.8	170.7	0	112.2	E49 E50 F55 L56 T57	E49-K53 HydrophobicContact CG-CD 4.36Å; E49-K53 WeakPolarHBondContact O-CG 3.28Å; E49-K53 PolarHBondContact O-N 3.03Å; E49-K53 VanDerWaalsContact OE1-CE 3.22Å; E49-K53 WeakPolarHBondContact OE1-CE 3.33Å; E49-K53 IonicContact OE1-NZ 3.54Å; E49-K53 PolarHBondContact OE1-NZ 2.75Å; E50-K53 PolarHBondContact O-N 3.43Å; K53-F55 VanDerWaalsContact C-N 3.3Å; K53-F55 PolarHBondContact O-N 2.91Å; K53-L56 WeakPolarHBondContact O-CB 3.38Å; K53-L56 PolarHBondContact O-N 2.88Å; K53-L56 VanDerWaalsContact O-N 3.17Å; K53-T57 WeakPolarHBondContact O-CG2 3.45Å; K53-T57 PolarHBondContact O-N 3.42Å; K53-T57 VanDerWaalsContact O-N 3.07Å
54	S	96.1	Very high	95.9	Very high	43 Å²	43	53 Å²	53	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-58.6	-41.7	174.5	169.3	0	0	0	0	111.5	E50 T51 F52 T57 R58	E50-S54 WeakPolarHBondContact O-CB 3.22Å; E50-S54 PolarHBondContact O-N 3.4Å; T51-S54 WeakPolarHBondContact O-CB 3.46Å; T51-S54 PolarHBondContact O-N 3.2Å; F52-S54 VanDerWaalsContact C-N 3.33Å; F52-S54 PolarHBondContact O-N 2.88Å; S54-T57 PolarHBondContact O-N 2.92Å; S54-T57 PolarHBondContact O-OG1 2.97Å; S54-R58 PolarHBondContact O-N 3.45Å
55	F	96.6	Very high	95.9	Very high	6 Å²	6	51 Å²	51	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-68.3	-34.7	174.7	-66.9	-14.9	0	0	0	113.5	A9 I11 T51 F52 K53 T57 R58 I61 I64	A9-F55 HydrophobicContact CB-CD2 3.75Å; A9-F55 HydrophobicContact CB-CE2 3.93Å; A9-F55 HydrophobicContact CB-CG 4.08Å; A9-F55 HydrophobicContact CB-CZ 4.41Å; I11-F55 HydrophobicContact CD1-CD2 3.98Å; I11-F55 HydrophobicContact CD1-CE2 4.12Å; I11-F55 HydrophobicContact CG1-CD2 4.02Å; I11-F55 HydrophobicContact CG1-CE2 3.72Å; T51-F55 HydrophobicContact CG2-CD2 4.29Å; T51-F55 HydrophobicContact CG2-CE1 4.08Å; T51-F55 HydrophobicContact CG2-CE2 3.77Å; T51-F55 HydrophobicContact CG2-CZ 3.64Å; T51-F55 WeakPolarHBondContact O-CG 3.22Å; T51-F55 PolarHBondContact O-N 2.64Å; F52-F55 PolarHBondContact O-N 3.39Å; F52-F55 VanDerWaalsContact O-N 3.11Å; K53-F55 VanDerWaalsContact C-N 3.3Å; K53-F55 PolarHBondContact O-N 2.91Å; F55-T57 VanDerWaalsContact C-N 3.32Å; F55-T57 PolarHBondContact O-N 2.79Å; F55-R58 WeakPolarHBondContact O-CB 3.34Å; F55-R58 PolarHBondContact O-N 3.16Å; F55-I61 HydrophobicContact CB-CD1 3.8Å; F55-I61 HydrophobicContact CD1-CD1 3.74Å; F55-I61 HydrophobicContact CG-CD1 3.89Å; F55-I64 HydrophobicContact CB-CD1 3.67Å; F55-I64 HydrophobicContact CB-CG1 4.18Å
56	L	95.4	Very high	96	Very high	42 Å²	42	46.8 Å²	46.8	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-39.3	173.3	-65.7	-177.2	0	0	0	112.3	F52 K53 R58 I64 H81 P86 V88	F52-L56 HydrophobicContact CD1-CD1 4.1Å; F52-L56 HydrophobicContact CD1-CG 4.46Å; F52-L56 HydrophobicContact CE1-CD1 3.57Å; F52-L56 HydrophobicContact CE1-CD2 4.46Å; F52-L56 HydrophobicContact CE1-CG 4.13Å; F52-L56 HydrophobicContact CE2-CD2 4.29Å; F52-L56 HydrophobicContact CZ-CD1 3.94Å; F52-L56 HydrophobicContact CZ-CD2 4.01Å; F52-L56 HydrophobicContact CZ-CG 4.15Å; F52-L56 WeakPolarHBondContact O-CG 3.46Å; F52-L56 PolarHBondContact O-N 2.85Å; K53-L56 WeakPolarHBondContact O-CB 3.38Å; K53-L56 PolarHBondContact O-N 2.88Å; K53-L56 VanDerWaalsContact O-N 3.17Å; L56-R58 PolarHBondContact O-N 3.09Å; L56-I64 HydrophobicContact CD2-CD1 3.75Å; L56-I64 HydrophobicContact CG-CD1 4.46Å; L56-H81 HydrophobicContact CD1-CB 4.26Å; L56-P86 HydrophobicContact CD2-CG 3.72Å; L56-V88 HydrophobicContact CD2-CG2 4.37Å
57	T	93.6	Very high	96	Very high	107 Å²	107	43.6 Å²	43.6	66%	0.656	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-8.8	-178.9	63	0	0	0	0	114.2	K53 S54 F55 N59	K53-T57 WeakPolarHBondContact O-CG2 3.45Å; K53-T57 PolarHBondContact O-N 3.42Å; K53-T57 VanDerWaalsContact O-N 3.07Å; S54-T57 PolarHBondContact O-N 2.92Å; S54-T57 PolarHBondContact O-OG1 2.97Å; F55-T57 VanDerWaalsContact C-N 3.32Å; F55-T57 PolarHBondContact O-N 2.79Å; T57-N59 PolarHBondContact O-N 2.94Å
58	R	92.5	Very high	95.9	Very high	28 Å²	28	40.2 Å²	40.2	11%	0.106	21%	0.212	C	C	.	.			trans	-87.4	106.5	-175.2	-91.6	-175.2	72.5	173.1	4.8	111.1	P34 S54 F55 L56 D60 I61	P34-R58 PolarHBondContact O-NH1 3.34Å; S54-R58 PolarHBondContact O-N 3.45Å; F55-R58 WeakPolarHBondContact O-CB 3.34Å; F55-R58 PolarHBondContact O-N 3.16Å; L56-R58 PolarHBondContact O-N 3.09Å; R58-D60 VanDerWaalsContact CB-OD1 3.26Å; R58-D60 WeakPolarHBondContact CB-OD1 3.48Å; R58-D60 IonicContact CZ-OD1 3.61Å; R58-D60 IonicContact CZ-OD2 2.9Å; R58-D60 IonicContact NE-OD1 2.7Å; R58-D60 PolarHBondContact NE-OD1 3.35Å; R58-D60 IonicContact NE-OD2 3.54Å; R58-D60 PolarHBondContact NE-OD2 2.89Å; R58-D60 IonicContact NH2-OD1 3.62Å; R58-D60 IonicContact NH2-OD2 3.49Å; R58-D60 PolarHBondContact NH2-OD2 2.79Å; R58-D60 PolarHBondContact O-N 2.86Å; R58-D60 VanDerWaalsContact O-N 3.08Å; R58-I61 HydrophobicContact CB-CB 4.34Å; R58-I61 HydrophobicContact CB-CD1 3.71Å; R58-I61 HydrophobicContact CB-CG1 3.93Å; R58-I61 HydrophobicContact CG-CD1 4.3Å; R58-I61 PolarHBondContact O-N 3.23Å
59	N	90.9	Very high	95.7	Very high	151 Å²	151	43.2 Å²	43.2	81%	0.807	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.5	179.8	-59.8	-17.6	0	0	0	114.3	T57	T57-N59 PolarHBondContact O-N 2.94Å
60	D	91.9	Very high	95.7	Very high	61 Å²	61	41.4 Å²	41.4	33%	0.326	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-10.7	177.9	61.6	-24.8	0	0	0	113.5	K6 L7 R58	K6-D60 CarbonylContact C-O 3.48Å; K6-D60 WeakPolarHBondContact CA-O 3.45Å; L7-D60 HydrophobicContact CD1-CB 4.4Å; L7-D60 PolarHBondContact N-O 3.16Å; R58-D60 VanDerWaalsContact CB-OD1 3.26Å; R58-D60 WeakPolarHBondContact CB-OD1 3.48Å; R58-D60 IonicContact CZ-OD1 3.61Å; R58-D60 IonicContact CZ-OD2 2.9Å; R58-D60 IonicContact NE-OD1 2.7Å; R58-D60 PolarHBondContact NE-OD1 3.35Å; R58-D60 IonicContact NE-OD2 3.54Å; R58-D60 PolarHBondContact NE-OD2 2.89Å; R58-D60 IonicContact NH2-OD1 3.62Å; R58-D60 IonicContact NH2-OD2 3.49Å; R58-D60 PolarHBondContact NH2-OD2 2.79Å; R58-D60 PolarHBondContact O-N 2.86Å; R58-D60 VanDerWaalsContact O-N 3.08Å
61	I	95.1	Very high	95.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.8	176.3	-64.5	174.7	0	0	0	109.7	A9 F55 R58 I63 I64 P86	A9-I61 HydrophobicContact CB-CD1 3.75Å; A9-I61 HydrophobicContact CB-CG1 4.33Å; A9-I61 HydrophobicContact CB-CG2 4.04Å; F55-I61 HydrophobicContact CB-CD1 3.8Å; F55-I61 HydrophobicContact CD1-CD1 3.74Å; F55-I61 HydrophobicContact CG-CD1 3.89Å; R58-I61 HydrophobicContact CB-CB 4.34Å; R58-I61 HydrophobicContact CB-CD1 3.71Å; R58-I61 HydrophobicContact CB-CG1 3.93Å; R58-I61 HydrophobicContact CG-CD1 4.3Å; R58-I61 PolarHBondContact O-N 3.23Å; I61-I63 WeakPolarHBondContact CG2-O 3.46Å; I61-I64 HydrophobicContact CG2-CG1 3.81Å; I61-P86 HydrophobicContact CG2-CB 3.98Å
62	G	95.2	Very high	95.4	Very high	11 Å²	11	37.1 Å²	37.1	11%	0.113	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-31.8	177.1	0	0	0	0	0	112.9	L7 P86 A87	L7-G62 PolarHBondContact O-N 3.11Å; G62-P86 CarbonylContact O-C 3.41Å; G62-P86 WeakPolarHBondContact O-CA 3.28Å; G62-A87 PolarHBondContact O-N 2.87Å
63	I	95.9	Very high	95.3	Very high	61 Å²	61	40.7 Å²	40.7	31%	0.313	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.5	-177	-57.3	174.8	0	0	0	108.2	L7 I8 A9 I61 L65 A87 L89	L7-I63 PolarHBondContact O-N 2.93Å; I8-I63 CarbonylContact C-O 3.57Å; I8-I63 WeakPolarHBondContact CA-O 3.47Å; I8-I63 HydrophobicContact CG1-CB 4.36Å; I8-I63 HydrophobicContact CG2-CB 4.46Å; I8-I63 HydrophobicContact CG2-CG2 4.48Å; A9-I63 PolarHBondContact N-O 3.45Å; I61-I63 WeakPolarHBondContact CG2-O 3.46Å; I63-L65 HydrophobicContact CG2-CD2 3.72Å; I63-L65 HydrophobicContact CG2-CG 4.33Å; I63-A87 CarbonylContact C-O 3.59Å; I63-A87 WeakPolarHBondContact CA-O 3.26Å; I63-L89 HydrophobicContact CG2-CD1 3.88Å; I63-L89 HydrophobicContact CG2-CG 4.39Å
64	I	97.6	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.4	169.9	-60.2	170.3	0	0	0	106.8	A9 F52 F55 L56 I61 P86 A87 V88 L89	A9-I64 HydrophobicContact CB-CG1 4.37Å; A9-I64 CarbonylContact O-C 3.57Å; A9-I64 WeakPolarHBondContact O-CA 3.26Å; F52-I64 HydrophobicContact CD2-CG2 4.46Å; F52-I64 HydrophobicContact CE2-CD1 4.35Å; F52-I64 HydrophobicContact CE2-CG2 4.5Å; F55-I64 HydrophobicContact CB-CD1 3.67Å; F55-I64 HydrophobicContact CB-CG1 4.18Å; L56-I64 HydrophobicContact CD2-CD1 3.75Å; L56-I64 HydrophobicContact CG-CD1 4.46Å; I61-I64 HydrophobicContact CG2-CG1 3.81Å; I64-P86 HydrophobicContact CD1-CB 4.14Å; I64-P86 HydrophobicContact CD1-CG 3.72Å; I64-P86 HydrophobicContact CG1-CB 4.15Å; I64-P86 HydrophobicContact CG1-CG 4.29Å; I64-A87 PolarHBondContact N-O 3.14Å; I64-V88 HydrophobicContact CB-CG2 4.5Å; I64-V88 HydrophobicContact CD1-CG2 4.48Å; I64-V88 WeakPolarHBondContact O-CA 3.45Å; I64-L89 PolarHBondContact O-N 3.26Å
65	L	97.7	Very high	95.2	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.1	169.6	-50.4	178.9	0	0	0	108.2	I8 A9 V10 I11 F20 I63 L89 I91	I8-L65 HydrophobicContact CG2-CD1 3.87Å; I8-L65 HydrophobicContact CG2-CG 3.87Å; A9-L65 PolarHBondContact O-N 3.06Å; V10-L65 CarbonylContact C-O 3.42Å; V10-L65 WeakPolarHBondContact CA-O 3.44Å; V10-L65 HydrophobicContact CG2-CB 4.16Å; V10-L65 HydrophobicContact CG2-CD1 4.2Å; V10-L65 HydrophobicContact CG2-CG 4.47Å; I11-L65 PolarHBondContact N-O 3.3Å; F20-L65 HydrophobicContact CD1-CD1 3.99Å; F20-L65 HydrophobicContact CE1-CD1 3.38Å; F20-L65 HydrophobicContact CE2-CD1 3.98Å; F20-L65 HydrophobicContact CZ-CD1 3.39Å; I63-L65 HydrophobicContact CG2-CD2 3.72Å; I63-L65 HydrophobicContact CG2-CG 4.33Å; L65-L89 WeakPolarHBondContact CA-O 2.96Å; L65-L89 HydrophobicContact CD2-CB 3.9Å; L65-L89 HydrophobicContact CD2-CD1 3.99Å; L65-L89 HydrophobicContact CD2-CG 4.49Å; L65-I91 HydrophobicContact CB-CD1 4.2Å
66	I	97.8	Very high	95	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.2	177.4	-175.2	164.3	0	0	0	109.8	I11 Q68 I70 A71 I74 I78 V88 L89 E90 I91	I11-I66 HydrophobicContact CB-CB 4.39Å; I11-I66 HydrophobicContact CB-CD1 4.23Å; I11-I66 HydrophobicContact CB-CG1 4.04Å; I11-I66 HydrophobicContact CD1-CD1 4.45Å; I11-I66 HydrophobicContact CG2-CD1 4.18Å; I11-I66 HydrophobicContact CG2-CG1 4.23Å; I11-I66 VanDerWaalsContact O-CA 3.26Å; I11-I66 WeakPolarHBondContact O-CA 3.46Å; I66-Q68 PolarHBondContact O-N 2.6Å; I66-I70 HydrophobicContact CD1-CG2 4.2Å; I66-I70 HydrophobicContact CG1-CB 4.24Å; I66-I70 HydrophobicContact CG1-CG2 4.33Å; I66-A71 HydrophobicContact CD1-CB 4.11Å; I66-A71 HydrophobicContact CG1-CB 4.17Å; I66-A71 HydrophobicContact CG2-CB 4.04Å; I66-I74 HydrophobicContact CD1-CD1 4.05Å; I66-I74 HydrophobicContact CD1-CG1 4.49Å; I66-I78 HydrophobicContact CD1-CD1 4.3Å; I66-V88 HydrophobicContact CG2-CG1 4.07Å; I66-L89 PolarHBondContact N-O 2.91Å; I66-E90 HydrophobicContact CG2-CG 4.26Å; I66-E90 CarbonylContact O-C 3.53Å; I66-E90 WeakPolarHBondContact O-CA 3.12Å; I66-I91 WeakPolarHBondContact O-CG1 3.1Å; I66-I91 PolarHBondContact O-N 3.17Å
67	N	97.3	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.9	172.3	-67.6	125.4	0	0	0	109.7	I11 G12 D13 T16 F69 I70 A71 I91 P92 S93	I11-N67 PolarHBondContact O-N 3.2Å; I11-N67 VanDerWaalsContact O-N 3.11Å; G12-N67 WeakPolarHBondContact CA-OD1 3.49Å; D13-N67 PolarHBondContact N-OD1 2.74Å; T16-N67 PolarHBondContact OG1-ND2 3.17Å; T16-N67 PolarHBondContact OG1-OD1 3.32Å; N67-F69 VanDerWaalsContact C-N 3.27Å; N67-F69 HydrophobicContact CB-CD1 3.7Å; N67-F69 HydrophobicContact CB-CE1 3.54Å; N67-F69 HydrophobicContact CB-CZ 4.46Å; N67-F69 PolarHBondContact O-N 2.85Å; N67-I70 HydrophobicContact CB-CD1 3.89Å; N67-I70 HydrophobicContact CB-CG1 4.08Å; N67-I70 WeakPolarHBondContact O-CB 3.16Å; N67-I70 PolarHBondContact O-N 3.35Å; N67-A71 PolarHBondContact O-N 2.99Å; N67-I91 CarbonylContact C-O 3.51Å; N67-I91 VanDerWaalsContact CA-O 3.28Å; N67-I91 WeakPolarHBondContact CA-O 3.32Å; N67-P92 PolarHBondContact ND2-O 2.76Å; N67-S93 WeakPolarHBondContact ND2-CB 3.03Å
68	Q	95.4	Very high	95	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-57.4	-39.2	-175.3	-177.6	175.4	66.9	0	0	112.8	I66 I70 A71 E72 E90 I91 D99	I66-Q68 PolarHBondContact O-N 2.6Å; Q68-I70 VanDerWaalsContact C-N 3.26Å; Q68-I70 PolarHBondContact O-N 3.36Å; Q68-A71 WeakPolarHBondContact O-CB 3.36Å; Q68-A71 PolarHBondContact O-N 3.28Å; Q68-E72 PolarHBondContact O-N 3.36Å; Q68-E72 VanDerWaalsContact O-N 3.08Å; Q68-E90 HydrophobicContact CB-CB 4.31Å; Q68-I91 PolarHBondContact N-O 3.09Å; Q68-D99 PolarHBondContact NE2-O 2.89Å
69	F	95.1	Very high	94.9	Very high	63 Å²	63	34 Å²	34	28%	0.276	17%	0.172	S	C	.	.	H	α-helix	trans	-65.5	-29.8	178.9	80.3	-91.5	0	0	0	112.7	D13 N67 H96	D13-F69 HydrophobicContact CB-CZ 4.27Å; N67-F69 VanDerWaalsContact C-N 3.27Å; N67-F69 HydrophobicContact CB-CD1 3.7Å; N67-F69 HydrophobicContact CB-CE1 3.54Å; N67-F69 HydrophobicContact CB-CZ 4.46Å; N67-F69 PolarHBondContact O-N 2.85Å; F69-H96 HydrophobicContact CB-CB 4.32Å; F69-H96 HydrophobicContact CD1-CB 4.01Å; F69-H96 AromaticContact CD1-CG 3.92Å; F69-H96 AromaticContact CD1-ND1 3.78Å; F69-H96 HydrophobicContact CG-CB 4.44Å
70	I	96.2	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-77.2	-40.3	174.8	-56.4	173.2	0	0	0	109.8	I11 V39 I48 I66 N67 Q68 E72 M73	I11-I70 HydrophobicContact CG2-CG2 4.06Å; V39-I70 HydrophobicContact CB-CD1 3.77Å; V39-I70 HydrophobicContact CG1-CD1 4.16Å; V39-I70 HydrophobicContact CG1-CG1 4.44Å; V39-I70 HydrophobicContact CG2-CD1 3.84Å; V39-I70 HydrophobicContact CG2-CG2 4.29Å; I48-I70 HydrophobicContact CD1-CG2 4.17Å; I48-I70 HydrophobicContact CG2-CG2 3.76Å; I66-I70 HydrophobicContact CD1-CG2 4.2Å; I66-I70 HydrophobicContact CG1-CB 4.24Å; I66-I70 HydrophobicContact CG1-CG2 4.33Å; N67-I70 HydrophobicContact CB-CD1 3.89Å; N67-I70 HydrophobicContact CB-CG1 4.08Å; N67-I70 WeakPolarHBondContact O-CB 3.16Å; N67-I70 PolarHBondContact O-N 3.35Å; Q68-I70 VanDerWaalsContact C-N 3.26Å; Q68-I70 PolarHBondContact O-N 3.36Å; I70-E72 PolarHBondContact O-N 3.12Å; I70-M73 VanDerWaalsContact O-CB 3.31Å; I70-M73 WeakPolarHBondContact O-CB 3.44Å; I70-M73 PolarHBondContact O-N 3.44Å
71	A	95.8	Very high	94.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.9	-36.6	176.2	0	0	0	0	0	112.2	I66 N67 Q68 M73 I74 R75 I78 E90	I66-A71 HydrophobicContact CD1-CB 4.11Å; I66-A71 HydrophobicContact CG1-CB 4.17Å; I66-A71 HydrophobicContact CG2-CB 4.04Å; N67-A71 PolarHBondContact O-N 2.99Å; Q68-A71 WeakPolarHBondContact O-CB 3.36Å; Q68-A71 PolarHBondContact O-N 3.28Å; A71-M73 VanDerWaalsContact C-N 3.25Å; A71-M73 PolarHBondContact O-N 3.28Å; A71-I74 CarbonylContact O-C 3.56Å; A71-I74 PolarHBondContact O-N 3.21Å; A71-R75 WeakPolarHBondContact O-CA 3.33Å; A71-R75 PolarHBondContact O-N 2.93Å; A71-I78 HydrophobicContact CB-CD1 3.48Å; A71-I78 VanDerWaalsContact CB-CD1 3.48Å; A71-E90 HydrophobicContact CB-CG 4.08Å
72	E	94.1	Very high	94.5	Very high	81 Å²	81	38.4 Å²	38.4	38%	0.379	19%	0.187	S	C	.	.	H	α-helix	trans	-58.7	-34.1	174	-73.8	-68.7	102.6	0	0	113.2	Q68 I70 I74 R75 K102	Q68-E72 PolarHBondContact O-N 3.36Å; Q68-E72 VanDerWaalsContact O-N 3.08Å; I70-E72 PolarHBondContact O-N 3.12Å; E72-I74 VanDerWaalsContact C-N 3.26Å; E72-I74 PolarHBondContact O-N 2.87Å; E72-R75 IonicContact OE1-CZ 3.71Å; E72-R75 IonicContact OE1-NE 2.89Å; E72-R75 PolarHBondContact OE1-NE 3.43Å; E72-R75 IonicContact OE1-NH2 2.95Å; E72-R75 PolarHBondContact OE1-NH2 3.49Å; E72-K102 HydrophobicContact CG-CD 4.49Å
73	M	95.1	Very high	94.2	Very high	75 Å²	75	44.9 Å²	44.9	37%	0.369	21%	0.214	S	C	.	.	H	α-helix	trans	-69.1	-26.4	-178.8	-56.5	172.2	63.5	0	0	112.5	I45 I48 I70 A71	I45-M73 HydrophobicContact CD1-CE 4.41Å; I45-M73 HydrophobicContact CG1-CE 3.7Å; I48-M73 HydrophobicContact CD1-CE 3.96Å; I48-M73 HydrophobicContact CD1-SD 4.31Å; I70-M73 VanDerWaalsContact O-CB 3.31Å; I70-M73 WeakPolarHBondContact O-CB 3.44Å; I70-M73 PolarHBondContact O-N 3.44Å; A71-M73 VanDerWaalsContact C-N 3.25Å; A71-M73 PolarHBondContact O-N 3.28Å
74	I	96.1	Very high	93.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	28.2	-178.5	60.8	155.3	0	0	0	112	I45 I48 E49 F52 I66 A71 E72 H76 A77 I78	I45-I74 HydrophobicContact CG2-CG2 4.05Å; I48-I74 HydrophobicContact CB-CG2 4.27Å; I48-I74 HydrophobicContact CG2-CD1 4.06Å; I48-I74 HydrophobicContact CG2-CG1 4.32Å; I48-I74 HydrophobicContact CG2-CG2 3.95Å; E49-I74 HydrophobicContact CB-CG2 3.98Å; F52-I74 HydrophobicContact CB-CD1 3.8Å; F52-I74 HydrophobicContact CD1-CD1 4.06Å; F52-I74 HydrophobicContact CD2-CD1 4.28Å; F52-I74 HydrophobicContact CG-CD1 3.78Å; I66-I74 HydrophobicContact CD1-CD1 4.05Å; I66-I74 HydrophobicContact CD1-CG1 4.49Å; A71-I74 CarbonylContact O-C 3.56Å; A71-I74 PolarHBondContact O-N 3.21Å; E72-I74 VanDerWaalsContact C-N 3.26Å; E72-I74 PolarHBondContact O-N 2.87Å; I74-H76 PolarHBondContact O-N 2.86Å; I74-H76 VanDerWaalsContact O-N 3.09Å; I74-A77 HydrophobicContact CB-CB 4.43Å; I74-A77 WeakPolarHBondContact O-CB 3.43Å; I74-A77 PolarHBondContact O-N 3.22Å; I74-I78 HydrophobicContact CD1-CD1 4.2Å; I74-I78 HydrophobicContact CD1-CG1 4.13Å; I74-I78 HydrophobicContact CG1-CD1 4.08Å; I74-I78 HydrophobicContact CG1-CG1 4.28Å; I74-I78 PolarHBondContact O-N 3.34Å
75	R	93.1	Very high	93.5	Very high	30 Å²	30	50.9 Å²	50.9	11%	0.113	25%	0.254	C	S	.	.	H	α-helix	trans	-53.8	-36.2	-173.2	-176.6	59.7	66.6	-169.8	1.7	112.6	A71 E72 A77 I78 D79 E90 K102	A71-R75 WeakPolarHBondContact O-CA 3.33Å; A71-R75 PolarHBondContact O-N 2.93Å; E72-R75 IonicContact OE1-CZ 3.71Å; E72-R75 IonicContact OE1-NE 2.89Å; E72-R75 PolarHBondContact OE1-NE 3.43Å; E72-R75 IonicContact OE1-NH2 2.95Å; E72-R75 PolarHBondContact OE1-NH2 3.49Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 2.98Å; R75-I78 PolarHBondContact O-N 3.21Å; R75-D79 WeakPolarHBondContact O-CB 3.42Å; R75-D79 PolarHBondContact O-N 2.98Å; R75-E90 IonicContact CZ-OE1 3.43Å; R75-E90 IonicContact CZ-OE2 3.63Å; R75-E90 VanDerWaalsContact NH1-CD 3.34Å; R75-E90 IonicContact NH1-OE1 3.85Å; R75-E90 PolarHBondContact NH1-OE1 3.42Å; R75-E90 IonicContact NH1-OE2 3.39Å; R75-E90 PolarHBondContact NH1-OE2 2.9Å; R75-E90 IonicContact NH2-OE1 2.91Å; R75-E90 IonicContact NH2-OE2 2.64Å; R75-E90 PolarHBondContact NH2-OE2 3.37Å; R75-K102 PolarHBondContact NH2-O 3.22Å
76	H	93.4	Very high	93.3	Very high	88 Å²	88	50.4 Å²	50.4	41%	0.407	25%	0.252	S	S	.	.	H	α-helix	trans	-60.3	-39.8	175.6	61.3	-74.9	0	0	0	112.8	E49 I74 Q80	E49-H76 VanDerWaalsContact CD-NE2 3.3Å; E49-H76 IonicContact OE1-NE2 3.17Å; E49-H76 PolarHBondContact OE1-NE2 3.11Å; E49-H76 IonicContact OE2-CE1 3.49Å; E49-H76 PolarHBondContact OE2-CE1 3.38Å; E49-H76 IonicContact OE2-NE2 2.74Å; E49-H76 PolarHBondContact OE2-NE2 2.94Å; I74-H76 PolarHBondContact O-N 2.86Å; I74-H76 VanDerWaalsContact O-N 3.09Å; H76-Q80 WeakPolarHBondContact O-CG 3.45Å; H76-Q80 PolarHBondContact O-N 3.27Å
77	A	94.3	Very high	93.1	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-73.2	-37.2	180	0	0	0	0	0	111.6	E49 F52 I74 R75	E49-A77 HydrophobicContact CG-CB 4.09Å; F52-A77 HydrophobicContact CD1-CB 4.14Å; F52-A77 HydrophobicContact CE1-CB 4.29Å; I74-A77 HydrophobicContact CB-CB 4.43Å; I74-A77 WeakPolarHBondContact O-CB 3.43Å; I74-A77 PolarHBondContact O-N 3.22Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 2.98Å
78	I	93.8	Very high	93.1	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-46.2	177.1	-62.9	174.1	0	0	0	110.8	F52 I66 A71 I74 R75 Q80 H81 V88	F52-I78 HydrophobicContact CE1-CG1 4.02Å; F52-I78 HydrophobicContact CE2-CG1 4.19Å; F52-I78 HydrophobicContact CZ-CB 4.4Å; F52-I78 HydrophobicContact CZ-CG1 3.76Å; I66-I78 HydrophobicContact CD1-CD1 4.3Å; A71-I78 HydrophobicContact CB-CD1 3.48Å; A71-I78 VanDerWaalsContact CB-CD1 3.48Å; I74-I78 HydrophobicContact CD1-CD1 4.2Å; I74-I78 HydrophobicContact CD1-CG1 4.13Å; I74-I78 HydrophobicContact CG1-CD1 4.08Å; I74-I78 HydrophobicContact CG1-CG1 4.28Å; I74-I78 PolarHBondContact O-N 3.34Å; R75-I78 PolarHBondContact O-N 3.21Å; I78-Q80 PolarHBondContact O-N 2.97Å; I78-H81 WeakPolarHBondContact O-CB 3.31Å; I78-H81 PolarHBondContact O-N 2.86Å; I78-V88 HydrophobicContact CG2-CG1 4.33Å
79	D	90.2	Very high	93	Very high	54 Å²	54	55.5 Å²	55.5	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-26.8	-178.8	-77.4	-8.4	0	0	0	112.2	R75 H81 R107 R108	R75-D79 WeakPolarHBondContact O-CB 3.42Å; R75-D79 PolarHBondContact O-N 2.98Å; D79-H81 VanDerWaalsContact C-N 3.29Å; D79-R107 IonicContact OD2-NH1 2.82Å; D79-R108 PolarHBondContact O-NH2 3.17Å; D79-R108 VanDerWaalsContact O-NH2 3.16Å
80	Q	91.3	Very high	93	Very high	140 Å²	140	53.2 Å²	53.2	65%	0.654	28%	0.275	S	S	*	.	H	α-helix	trans	-71	-20.4	172.6	-76.3	171.6	18.6	0	0	113.4	H76 I78 M82	H76-Q80 WeakPolarHBondContact O-CG 3.45Å; H76-Q80 PolarHBondContact O-N 3.27Å; I78-Q80 PolarHBondContact O-N 2.97Å; Q80-M82 PolarHBondContact O-N 2.96Å
81	H	91.6	Very high	93	Very high	24 Å²	24	54.8 Å²	54.8	11%	0.111	28%	0.283	C	S	.	.			trans	-78.1	113.7	175.8	-174.7	56.5	0	0	0	110.5	L56 I78 D79 E83 P86 R108	L56-H81 HydrophobicContact CD1-CB 4.26Å; I78-H81 WeakPolarHBondContact O-CB 3.31Å; I78-H81 PolarHBondContact O-N 2.86Å; D79-H81 VanDerWaalsContact C-N 3.29Å; H81-E83 PolarHBondContact NE2-O 3.42Å; H81-P86 PolarHBondContact NE2-O 3.16Å; H81-R108 PolarHBondContact O-NH1 3.05Å; H81-R108 PolarHBondContact O-NH2 3.3Å; H81-R108 VanDerWaalsContact O-NH2 3.12Å
82	M	87.7	Confident	93	Very high	141 Å²	141	58 Å²	58	70%	0.695	30%	0.304	S	S	*	.			trans	-116.1	-7.8	-176.8	-64.4	-62.4	-68.9	0	0	113	Q80 R108	Q80-M82 PolarHBondContact O-N 2.96Å; M82-R108 PolarHBondContact SD-NH2 2.83Å
83	E	89.4	Confident	93.1	Very high	147 Å²	147	54.9 Å²	54.9	69%	0.687	29%	0.291	S	S	*	.			trans	-76	146.9	178.1	-57.3	-176.4	-159.2	0	0	110.5	H81 I85	H81-E83 PolarHBondContact NE2-O 3.42Å; E83-I85 PolarHBondContact O-N 3.46Å
84	S	86.9	Confident	92.9	Very high	104 Å²	104	58.7 Å²	58.7	73%	0.727	31%	0.306	S	S	*	.	S	Bend	trans	-72.5	-20.4	179.9	53.5	0	0	0	0	113.3
85	I	90.9	Very high	92.6	Very high	84 Å²	84	66.4 Å²	66.4	43%	0.431	34%	0.342	S	S	.	.	S	Bend	trans	-136.8	130.1	-177.3	-64	178.9	0	0	0	108.1	K6 E83	K6-I85 HydrophobicContact CD-CG2 4.4Å; E83-I85 PolarHBondContact O-N 3.46Å
86	P	93.9	Very high	92.5	Very high	5 Å²	5	69 Å²	69	3%	0.032	36%	0.355	C	S	.	.	S	Bend	cis	-70.4	145.6	-2.2	29.4	-34.9	0	0	0	112	L56 I61 G62 I64 H81	L56-P86 HydrophobicContact CD2-CG 3.72Å; I61-P86 HydrophobicContact CG2-CB 3.98Å; G62-P86 CarbonylContact O-C 3.41Å; G62-P86 WeakPolarHBondContact O-CA 3.28Å; I64-P86 HydrophobicContact CD1-CB 4.14Å; I64-P86 HydrophobicContact CD1-CG 3.72Å; I64-P86 HydrophobicContact CG1-CB 4.15Å; I64-P86 HydrophobicContact CG1-CG 4.29Å; H81-P86 PolarHBondContact NE2-O 3.16Å
87	A	94.5	Very high	92.5	Very high	37 Å²	37	70.1 Å²	70.1	31%	0.306	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.7	174.1	0	0	0	0	0	109.4	G62 I63 I64	G62-A87 PolarHBondContact O-N 2.87Å; I63-A87 CarbonylContact C-O 3.59Å; I63-A87 WeakPolarHBondContact CA-O 3.26Å; I64-A87 PolarHBondContact N-O 3.14Å
88	V	95.6	Very high	92.3	Very high	14 Å²	14	74.3 Å²	74.3	9%	0.085	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.8	178	-177.2	0	0	0	0	108.3	F52 L56 I64 I66 I78	F52-V88 HydrophobicContact CE2-CG1 4.05Å; F52-V88 HydrophobicContact CE2-CG2 3.88Å; F52-V88 HydrophobicContact CZ-CG1 4.48Å; F52-V88 HydrophobicContact CZ-CG2 4Å; L56-V88 HydrophobicContact CD2-CG2 4.37Å; I64-V88 HydrophobicContact CB-CG2 4.5Å; I64-V88 HydrophobicContact CD1-CG2 4.48Å; I64-V88 WeakPolarHBondContact O-CA 3.45Å; I66-V88 HydrophobicContact CG2-CG1 4.07Å; I78-V88 HydrophobicContact CG2-CG1 4.33Å
89	L	94.9	Very high	92	Very high	70 Å²	70	76.9 Å²	76.9	37%	0.366	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.2	-178.3	-62.8	175.7	0	0	0	110.3	I63 I64 L65 I66 I105	I63-L89 HydrophobicContact CG2-CD1 3.88Å; I63-L89 HydrophobicContact CG2-CG 4.39Å; I64-L89 PolarHBondContact O-N 3.26Å; L65-L89 WeakPolarHBondContact CA-O 2.96Å; L65-L89 HydrophobicContact CD2-CB 3.9Å; L65-L89 HydrophobicContact CD2-CD1 3.99Å; L65-L89 HydrophobicContact CD2-CG 4.49Å; I66-L89 PolarHBondContact N-O 2.91Å; L89-I105 HydrophobicContact CD2-CD1 4.09Å
90	E	95.1	Very high	91.7	Very high	14 Å²	14	76.7 Å²	76.7	7%	0.065	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.1	175.9	-63.5	174.2	-134.3	0	0	109.5	I66 Q68 A71 R75 S104	I66-E90 HydrophobicContact CG2-CG 4.26Å; I66-E90 CarbonylContact O-C 3.53Å; I66-E90 WeakPolarHBondContact O-CA 3.12Å; Q68-E90 HydrophobicContact CB-CB 4.31Å; A71-E90 HydrophobicContact CB-CG 4.08Å; R75-E90 IonicContact CZ-OE1 3.43Å; R75-E90 IonicContact CZ-OE2 3.63Å; R75-E90 VanDerWaalsContact NH1-CD 3.34Å; R75-E90 IonicContact NH1-OE1 3.85Å; R75-E90 PolarHBondContact NH1-OE1 3.42Å; R75-E90 IonicContact NH1-OE2 3.39Å; R75-E90 PolarHBondContact NH1-OE2 2.9Å; R75-E90 IonicContact NH2-OE1 2.91Å; R75-E90 IonicContact NH2-OE2 2.64Å; R75-E90 PolarHBondContact NH2-OE2 3.37Å; E90-S104 PolarHBondContact OE1-N 2.58Å; E90-S104 VanDerWaalsContact OE1-N 3.1Å; E90-S104 PolarHBondContact OE1-OG 3.44Å
91	I	95.7	Very high	91.2	Very high	33 Å²	33	73 Å²	73	17%	0.169	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	151.6	-179.4	57.6	166.8	0	0	0	111.2	T16 F20 L65 I66 N67 Q68	T16-I91 HydrophobicContact CG2-CD1 3.7Å; F20-I91 HydrophobicContact CE2-CD1 3.48Å; F20-I91 VanDerWaalsContact CE2-CD1 3.48Å; F20-I91 HydrophobicContact CZ-CD1 3.98Å; L65-I91 HydrophobicContact CB-CD1 4.2Å; I66-I91 WeakPolarHBondContact O-CG1 3.1Å; I66-I91 PolarHBondContact O-N 3.17Å; N67-I91 CarbonylContact C-O 3.51Å; N67-I91 VanDerWaalsContact CA-O 3.28Å; N67-I91 WeakPolarHBondContact CA-O 3.32Å; Q68-I91 PolarHBondContact N-O 3.09Å
92	P	96	Very high	90.5	Very high	68 Å²	68	76.3 Å²	76.3	44%	0.442	41%	0.409	S	S	.	.			trans	-63.7	166.4	170.4	28.3	-34.9	0	0	0	111.1	N67	N67-P92 PolarHBondContact ND2-O 2.76Å
93	S	94.6	Very high	90.1	Very high	15 Å²	15	70 Å²	70	11%	0.105	38%	0.379	C	S	.	.			trans	-117.3	172	166.5	115.5	0	0	0	0	109.6	D13 N67 E95 H96	D13-S93 WeakPolarHBondContact OD2-CB 3.5Å; D13-S93 PolarHBondContact OD2-OG 3.1Å; N67-S93 WeakPolarHBondContact ND2-CB 3.03Å; S93-E95 PolarHBondContact O-N 3.15Å; S93-E95 PolarHBondContact OG-N 3.44Å; S93-H96 PolarHBondContact N-O 3.49Å; S93-H96 PolarHBondContact O-N 2.86Å; S93-H96 PolarHBondContact OG-ND1 2.7Å
94	K	91.7	Very high	89.3	Confident	155 Å²	155	63.5 Å²	63.5	67%	0.674	35%	0.349	S	S	*	.	S	Bend	trans	-57.8	-37.5	-179.9	-177.8	-175.7	179.5	-178.7	0	112.9	D15	D15-K94 HydrophobicContact CB-CD 4.36Å; D15-K94 IonicContact OD1-NZ 2.67Å; D15-K94 WeakPolarHBondContact OD2-CD 3.26Å; D15-K94 IonicContact OD2-NZ 3.58Å; D15-K94 PolarHBondContact OD2-NZ 3.21Å
95	E	90.6	Very high	88.7	Confident	162 Å²	162	62.4 Å²	62.4	76%	0.757	33%	0.334	S	S	*	.	S	Bend	trans	-99.1	-20.5	-178.8	-57.1	-142.6	121	0	0	113.1	S93	S93-E95 PolarHBondContact O-N 3.15Å; S93-E95 PolarHBondContact OG-N 3.44Å
96	H	91.4	Very high	87.9	Confident	86 Å²	86	60.3 Å²	60.3	40%	0.398	32%	0.324	S	S	.	.	S	Bend	trans	-116	100.4	-173.2	-59.3	90.4	0	0	0	110.7	F69 S93	F69-H96 HydrophobicContact CB-CB 4.32Å; F69-H96 HydrophobicContact CD1-CB 4.01Å; F69-H96 AromaticContact CD1-CG 3.92Å; F69-H96 AromaticContact CD1-ND1 3.78Å; F69-H96 HydrophobicContact CG-CB 4.44Å; S93-H96 PolarHBondContact N-O 3.49Å; S93-H96 PolarHBondContact O-N 2.86Å; S93-H96 PolarHBondContact OG-ND1 2.7Å
97	P	92.1	Very high	86.8	Confident	111 Å²	111	66.5 Å²	66.5	72%	0.721	35%	0.347	S	S	*	.			trans	-66.6	156.6	177.9	28.8	-34.8	0	0	0	111.5
98	Y	90.2	Very high	85.8	Confident	91 Å²	91	70.6 Å²	70.6	36%	0.357	35%	0.354	S	S	.	.			trans	-72.2	133.5	179.9	178.4	-98.1	0	0	0	112	A100 D103 L106	Y98-A100 HydrophobicContact CE1-CB 3.92Å; Y98-D103 HydrophobicContact CE2-CB 4.29Å; Y98-D103 WeakPolarHBondContact CE2-OD2 3.21Å; Y98-D103 WeakPolarHBondContact OH-CB 3.33Å; Y98-D103 PolarHBondContact OH-OD2 3.02Å; Y98-L106 HydrophobicContact CE1-CD1 4.46Å; Y98-L106 VanDerWaalsContact OH-CD1 3.26Å; Y98-L106 WeakPolarHBondContact OH-CD1 3.33Å
99	D	88.5	Confident	84.6	Confident	59 Å²	59	70.7 Å²	70.7	32%	0.316	36%	0.357	S	S	.	.			trans	-115.3	106	174.4	-177.5	-10.2	0	0	0	110.4	Q68 S101 K102	Q68-D99 PolarHBondContact NE2-O 2.89Å; D99-S101 VanDerWaalsContact CG-OG 3.24Å; D99-S101 PolarHBondContact O-N 2.67Å; D99-S101 VanDerWaalsContact O-N 3.1Å; D99-S101 VanDerWaalsContact OD1-CB 3.26Å; D99-S101 WeakPolarHBondContact OD1-CB 3.4Å; D99-S101 PolarHBondContact OD1-N 3.21Å; D99-S101 PolarHBondContact OD1-OG 2.82Å; D99-S101 PolarHBondContact OD2-OG 3.43Å; D99-K102 HydrophobicContact CB-CD 4.24Å; D99-K102 HydrophobicContact CB-CG 4.39Å; D99-K102 PolarHBondContact O-N 2.91Å; D99-K102 VanDerWaalsContact OD2-CE 3.22Å; D99-K102 WeakPolarHBondContact OD2-CE 3.41Å; D99-K102 IonicContact OD2-NZ 3.54Å
100	A	83.3	Confident	83.1	Confident	50 Å²	50	73.8 Å²	73.8	41%	0.413	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.8	179.7	0	0	0	0	0	114	Y98 K102 L106	Y98-A100 HydrophobicContact CE1-CB 3.92Å; A100-K102 VanDerWaalsContact C-N 3.31Å; A100-L106 HydrophobicContact CB-CD1 3.74Å
101	S	79.9	Confident	81.5	Confident	64 Å²	64	77 Å²	77	45%	0.448	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.7	-179.5	74.8	0	0	0	0	113.2	D99	D99-S101 VanDerWaalsContact CG-OG 3.24Å; D99-S101 PolarHBondContact O-N 2.67Å; D99-S101 VanDerWaalsContact O-N 3.1Å; D99-S101 VanDerWaalsContact OD1-CB 3.26Å; D99-S101 WeakPolarHBondContact OD1-CB 3.4Å; D99-S101 PolarHBondContact OD1-N 3.21Å; D99-S101 PolarHBondContact OD1-OG 2.82Å; D99-S101 PolarHBondContact OD2-OG 3.43Å
102	K	78.4	Confident	79.8	Confident	92 Å²	92	82.8 Å²	82.8	40%	0.4	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-15.6	-175.7	-63.2	-178.9	-177	173.9	0	113.7	E72 R75 D99 A100 S104	E72-K102 HydrophobicContact CG-CD 4.49Å; R75-K102 PolarHBondContact NH2-O 3.22Å; D99-K102 HydrophobicContact CB-CD 4.24Å; D99-K102 HydrophobicContact CB-CG 4.39Å; D99-K102 PolarHBondContact O-N 2.91Å; D99-K102 VanDerWaalsContact OD2-CE 3.22Å; D99-K102 WeakPolarHBondContact OD2-CE 3.41Å; D99-K102 IonicContact OD2-NZ 3.54Å; A100-K102 VanDerWaalsContact C-N 3.31Å; K102-S104 PolarHBondContact O-N 2.83Å
103	D	77.7	Confident	77.9	Confident	10 Å²	10	84.7 Å²	84.7	5%	0.053	43%	0.433	C	S	.	.			trans	-68.1	128.4	-176.6	-173.7	-57.2	0	0	0	112.2	Y98 I105 L106 R107	Y98-D103 HydrophobicContact CE2-CB 4.29Å; Y98-D103 WeakPolarHBondContact CE2-OD2 3.21Å; Y98-D103 WeakPolarHBondContact OH-CB 3.33Å; Y98-D103 PolarHBondContact OH-OD2 3.02Å; D103-I105 PolarHBondContact O-N 3.31Å; D103-I105 WeakPolarHBondContact OD1-CA 3.41Å; D103-I105 WeakPolarHBondContact OD1-CB 3.45Å; D103-I105 PolarHBondContact OD1-N 3.12Å; D103-L106 HydrophobicContact CB-CB 4.16Å; D103-L106 HydrophobicContact CB-CD1 4.09Å; D103-L106 HydrophobicContact CB-CG 4.36Å; D103-L106 PolarHBondContact O-N 3.43Å; D103-L106 PolarHBondContact OD1-N 3.32Å; D103-L106 VanDerWaalsContact OD1-N 3.15Å; D103-R107 WeakPolarHBondContact O-CB 3.36Å; D103-R107 VanDerWaalsContact O-CG 3.27Å; D103-R107 WeakPolarHBondContact O-CG 3.42Å; D103-R107 PolarHBondContact O-N 2.96Å
104	S	72.6	Confident	76	Confident	9 Å²	9	87.1 Å²	87.1	6%	0.063	45%	0.45	C	S	.	.	H	α-helix	trans	-64.1	-37	-178.1	53.7	0	0	0	0	113.5	E90 K102 R108	E90-S104 PolarHBondContact OE1-N 2.58Å; E90-S104 VanDerWaalsContact OE1-N 3.1Å; E90-S104 PolarHBondContact OE1-OG 3.44Å; K102-S104 PolarHBondContact O-N 2.83Å; S104-R108 WeakPolarHBondContact O-CG 3.22Å; S104-R108 PolarHBondContact O-N 3.08Å; S104-R108 VanDerWaalsContact O-N 3.17Å
105	I	75.6	Confident	74.3	Confident	82 Å²	82	83.9 Å²	83.9	42%	0.421	45%	0.452	S	S	.	.	H	α-helix	trans	-70.8	-47.6	178.7	-61.4	174.7	0	0	0	109.6	L89 D103 R107 R108 A109	L89-I105 HydrophobicContact CD2-CD1 4.09Å; D103-I105 PolarHBondContact O-N 3.31Å; D103-I105 WeakPolarHBondContact OD1-CA 3.41Å; D103-I105 WeakPolarHBondContact OD1-CB 3.45Å; D103-I105 PolarHBondContact OD1-N 3.12Å; I105-R107 VanDerWaalsContact C-N 3.31Å; I105-R107 PolarHBondContact O-N 3.06Å; I105-R108 WeakPolarHBondContact O-CB 3.27Å; I105-R108 PolarHBondContact O-N 2.83Å; I105-R108 VanDerWaalsContact O-N 3.14Å; I105-A109 WeakPolarHBondContact O-CB 3.26Å; I105-A109 PolarHBondContact O-N 3.16Å
106	L	73.5	Confident	72.7	Confident	40 Å²	40	83.4 Å²	83.4	21%	0.209	45%	0.45	C	S	.	.	H	α-helix	trans	-64.4	-37	178.2	-74.9	170.8	0	0	0	111.8	Y98 A100 D103 R108 A109 K110 F118	Y98-L106 HydrophobicContact CE1-CD1 4.46Å; Y98-L106 VanDerWaalsContact OH-CD1 3.26Å; Y98-L106 WeakPolarHBondContact OH-CD1 3.33Å; A100-L106 HydrophobicContact CB-CD1 3.74Å; D103-L106 HydrophobicContact CB-CB 4.16Å; D103-L106 HydrophobicContact CB-CD1 4.09Å; D103-L106 HydrophobicContact CB-CG 4.36Å; D103-L106 PolarHBondContact O-N 3.43Å; D103-L106 PolarHBondContact OD1-N 3.32Å; D103-L106 VanDerWaalsContact OD1-N 3.15Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3.49Å; L106-A109 CarbonylContact O-C 3.53Å; L106-A109 PolarHBondContact O-N 3.1Å; L106-A109 VanDerWaalsContact O-N 3.16Å; L106-K110 WeakPolarHBondContact O-CG 3.42Å; L106-K110 PolarHBondContact O-N 2.99Å; L106-F118 HydrophobicContact CD2-CE1 4.02Å; L106-F118 HydrophobicContact CD2-CZ 3.9Å
107	R	71.8	Confident	71	Confident	135 Å²	135	84.2 Å²	84.2	51%	0.509	46%	0.457	S	S	.	.	H	α-helix	trans	-59.6	-40.9	172.6	-78.1	175.8	65.6	-148.8	-2.7	112.3	D79 D103 I105	D79-R107 IonicContact OD2-NH1 2.82Å; D103-R107 WeakPolarHBondContact O-CB 3.36Å; D103-R107 VanDerWaalsContact O-CG 3.27Å; D103-R107 WeakPolarHBondContact O-CG 3.42Å; D103-R107 PolarHBondContact O-N 2.96Å; I105-R107 VanDerWaalsContact C-N 3.31Å; I105-R107 PolarHBondContact O-N 3.06Å
108	R	72.5	Confident	69.3	Low	122 Å²	122	85.6 Å²	85.6	46%	0.46	45%	0.452	S	S	.	.	H	α-helix	trans	-68.4	-36.6	174.4	-69	171	-177.6	-177.8	1.7	111.5	D79 H81 M82 S104 I105 L106	D79-R108 PolarHBondContact O-NH2 3.17Å; D79-R108 VanDerWaalsContact O-NH2 3.16Å; H81-R108 PolarHBondContact O-NH1 3.05Å; H81-R108 PolarHBondContact O-NH2 3.3Å; H81-R108 VanDerWaalsContact O-NH2 3.12Å; M82-R108 PolarHBondContact SD-NH2 2.83Å; S104-R108 WeakPolarHBondContact O-CG 3.22Å; S104-R108 PolarHBondContact O-N 3.08Å; S104-R108 VanDerWaalsContact O-N 3.17Å; I105-R108 WeakPolarHBondContact O-CB 3.27Å; I105-R108 PolarHBondContact O-N 2.83Å; I105-R108 VanDerWaalsContact O-N 3.14Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3.49Å
109	A	70.1	Confident	67.1	Low	17 Å²	17	95 Å²	95	14%	0.14	49%	0.487	C	S	.	.	H	α-helix	trans	-81	-17.5	-177.5	0	0	0	0	0	114.5	I105 L106 G111 M112 F113	I105-A109 WeakPolarHBondContact O-CB 3.26Å; I105-A109 PolarHBondContact O-N 3.16Å; L106-A109 CarbonylContact O-C 3.53Å; L106-A109 PolarHBondContact O-N 3.1Å; L106-A109 VanDerWaalsContact O-N 3.16Å; A109-G111 PolarHBondContact O-N 2.9Å; A109-M112 WeakPolarHBondContact O-CA 3.41Å; A109-M112 WeakPolarHBondContact O-CB 3.26Å; A109-M112 PolarHBondContact O-N 2.97Å; A109-F113 HydrophobicContact CB-CD2 3.84Å; A109-F113 HydrophobicContact CB-CE2 4.02Å; A109-F113 PolarHBondContact O-N 2.79Å; A109-F113 VanDerWaalsContact O-N 3.12Å
110	K	63.1	Low	66	Low	135 Å²	135	96.8 Å²	96.8	59%	0.587	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.7	-179.8	-92.5	177.2	177.1	177.2	0	114.9	L106	L106-K110 WeakPolarHBondContact O-CG 3.42Å; L106-K110 PolarHBondContact O-N 2.99Å
111	G	61.5	Low	65.1	Low	80 Å²	80	99.2 Å²	99.2	83%	0.825	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-8.8	171.3	0	0	0	0	0	114.4	A109	A109-G111 PolarHBondContact O-N 2.9Å
112	M	59.9	Low	64.2	Low	155 Å²	155	101.2 Å²	101.2	76%	0.764	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-24.7	-173.9	-61.5	180	68	0	0	113.4	A109	A109-M112 WeakPolarHBondContact O-CA 3.41Å; A109-M112 WeakPolarHBondContact O-CB 3.26Å; A109-M112 PolarHBondContact O-N 2.97Å
113	F	56.6	Low	63.4	Low	109 Å²	109	101.7 Å²	101.7	48%	0.478	51%	0.509	S	S	.	.	S	Bend	trans	-116.6	132.8	179.6	-64	-83.2	0	0	0	110.6	A109 D117 F118	A109-F113 HydrophobicContact CB-CD2 3.84Å; A109-F113 HydrophobicContact CB-CE2 4.02Å; A109-F113 PolarHBondContact O-N 2.79Å; A109-F113 VanDerWaalsContact O-N 3.12Å; F113-D117 HydrophobicContact CD1-CB 4.37Å; F113-F118 HydrophobicContact CB-CE2 3.9Å; F113-F118 HydrophobicContact CB-CZ 4.38Å
114	S	54.8	Low	62.5	Low	65 Å²	65	107.4 Å²	107.4	46%	0.455	54%	0.537	S	S	.	.			trans	-76.9	153.8	173.2	-173.1	0	0	0	0	108.9	E116 D117	S114-E116 PolarHBondContact O-N 3.38Å; S114-D117 PolarHBondContact N-OD2 2.63Å; S114-D117 PolarHBondContact O-N 3.25Å
115	A	55.5	Low	61.8	Low	88 Å²	88	114 Å²	114	73%	0.727	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-10.3	175.7	0	0	0	0	0	113.6
116	E	57.2	Low	60.9	Low	152 Å²	152	116.3 Å²	116.3	71%	0.71	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-18.7	175.3	-65.8	177.9	100	0	0	113.9	S114 F118	S114-E116 PolarHBondContact O-N 3.38Å; E116-F118 VanDerWaalsContact C-N 3.26Å; E116-F118 PolarHBondContact O-N 2.9Å
117	D	56	Low	59.9	Low	102 Å²	102	122.2 Å²	122.2	55%	0.545	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	-8.1	-179	-64.3	-50.5	0	0	0	113.5	F113 S114	F113-D117 HydrophobicContact CD1-CB 4.37Å; S114-D117 PolarHBondContact N-OD2 2.63Å; S114-D117 PolarHBondContact O-N 3.25Å
118	F	55.9	Low	58.9	Low	140 Å²	140	121.1 Å²	121.1	61%	0.614	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	12.8	-177.8	-65.2	-83.4	0	0	0	113.5	L106 F113 E116	L106-F118 HydrophobicContact CD2-CE1 4.02Å; L106-F118 HydrophobicContact CD2-CZ 3.9Å; F113-F118 HydrophobicContact CB-CE2 3.9Å; F113-F118 HydrophobicContact CB-CZ 4.38Å; E116-F118 VanDerWaalsContact C-N 3.26Å; E116-F118 PolarHBondContact O-N 2.9Å
119	R	43.8	Very low	57.7	Low	288 Å²	288	121 Å²	121	100%	1.087	63%	0.63	S	S	*	*			trans	-95.9	0	175.7	-93.3	-173.5	173.7	162.8	-0.3	113

Retrieved 119 of 119 residues in 37.6 ms (Link to these results)

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