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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 and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment.

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 40.6 ms (Link to these results)

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