A0A087YCV5_POEFO Loading...

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 (A0A3Q2DVM9), UniProt , Accession A0A087YCV5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 119 aa.

						>A0A087YCV5_POEFO|A0A087YCV5
MAGRGKLIAVIGDEDTVTGFLLGGIGELNKNRKPNFLVVEKDTSITEIEETFKSFLARNDIAIILINQFIAEMIRHAIDAHMQSIPAVLEIPSKEHPYDASKDSILRRAKGMFSAEDFR
					

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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	42.6	Very low	75	Confident	239 Å²	239	83.1 Å²	83.1	100%	1.177	48%	0.476	S	S	*	.				0	107.2	0	-68.1	-168.2	179.5	0	0	107.5	G3	M1-G3 PolarHBondContact O-N 2.88Å
2	A	37.5	Very low	76.9	Confident	114 Å²	114	76.2 Å²	76.2	94%	0.942	44%	0.436	S	S	*	.			trans	-71.2	85.5	169.3	0	0	0	0	0	106.8
3	G	44.3	Very low	78.4	Confident	60 Å²	60	72.3 Å²	72.3	62%	0.619	41%	0.413	S	S	*	.			trans	-64.8	142.4	-171.9	0	0	0	0	0	110.6	M1 G5	M1-G3 PolarHBondContact O-N 2.88Å; G3-G5 PolarHBondContact O-N 2.88Å
4	R	60.1	Low	79.7	Confident	237 Å²	237	76.2 Å²	76.2	89%	0.894	43%	0.426	S	S	*	.			trans	-37.6	129	163.1	-97.1	175.6	164.1	144.6	-3.9	109.6
5	G	70.9	Confident	80.7	Confident	64 Å²	64	76.7 Å²	76.7	66%	0.66	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-51.9	145.1	176.8	0	0	0	0	0	110.8	G3	G3-G5 PolarHBondContact O-N 2.88Å
6	K	86.1	Confident	81.7	Confident	115 Å²	115	73.1 Å²	73.1	50%	0.5	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-71.2	144.8	174.1	-67.2	-161.2	170	-159.5	0	110	D60 A62	K6-D60 CarbonylContact C-O 3.52Å; K6-D60 WeakPolarHBondContact CA-O 3.45Å; K6-A62 HydrophobicContact CB-CB 3.39Å; K6-A62 HydrophobicContact CD-CB 3.7Å; K6-A62 HydrophobicContact CG-CB 4.18Å
7	L	94.1	Very high	82.6	Confident	27 Å²	27	68.8 Å²	68.8	14%	0.141	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	157.9	-177.1	-56.3	176.7	0	0	0	111.4	E27 D60 I61 A62	L7-E27 HydrophobicContact CD1-CB 4.32Å; L7-E27 HydrophobicContact CD1-CG 4.3Å; L7-E27 WeakPolarHBondContact CD1-OE1 3.44Å; L7-E27 WeakPolarHBondContact CD2-OE2 3.39Å; L7-D60 PolarHBondContact N-O 3.19Å; L7-I61 WeakPolarHBondContact O-CA 2.92Å; L7-A62 PolarHBondContact O-N 3.35Å
8	I	95.9	Very high	83.3	Confident	54 Å²	54	68.7 Å²	68.7	28%	0.277	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.9	165.9	-56.3	174.3	0	0	0	106.7	I25 N35 I63 L65	I8-I25 HydrophobicContact CB-CD1 4.25Å; I8-I25 HydrophobicContact CB-CG2 3.7Å; I8-I25 HydrophobicContact CD1-CD1 4.03Å; I8-I25 HydrophobicContact CD1-CG1 4.48Å; I8-I25 HydrophobicContact CG2-CD1 4.11Å; I8-I25 HydrophobicContact CG2-CG2 4.06Å; I8-I25 VanDerWaalsContact O-CG2 3.27Å; I8-I25 WeakPolarHBondContact O-CG2 3.17Å; I8-N35 PolarHBondContact O-ND2 3.12Å; I8-I63 CarbonylContact C-O 3.56Å; I8-I63 WeakPolarHBondContact CA-O 3.5Å; I8-I63 HydrophobicContact CG1-CB 4.25Å; I8-I63 HydrophobicContact CG1-CD1 4.44Å; I8-I63 HydrophobicContact CG2-CB 4.26Å; I8-I63 HydrophobicContact CG2-CG2 4.34Å; I8-L65 HydrophobicContact CG2-CD1 3.69Å; I8-L65 HydrophobicContact CG2-CG 3.86Å
9	A	97.6	Very high	84	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	153.5	172	0	0	0	0	0	111	N35 F55 I61 I63 I64 L65	A9-N35 CarbonylContact C-O 3.54Å; A9-N35 WeakPolarHBondContact CA-O 3.49Å; A9-N35 HydrophobicContact CB-CB 4.3Å; A9-N35 WeakPolarHBondContact CB-O 3.28Å; A9-F55 HydrophobicContact CB-CD2 3.75Å; A9-F55 HydrophobicContact CB-CE2 3.96Å; A9-F55 HydrophobicContact CB-CG 4.07Å; A9-F55 HydrophobicContact CB-CZ 4.46Å; A9-I61 HydrophobicContact CB-CD1 3.75Å; A9-I61 HydrophobicContact CB-CG1 4.35Å; A9-I61 HydrophobicContact CB-CG2 4.07Å; A9-I63 PolarHBondContact N-O 3.4Å; A9-I64 HydrophobicContact CB-CG1 4.39Å; A9-I64 CarbonylContact O-C 3.43Å; A9-I64 WeakPolarHBondContact O-CA 3.33Å; A9-L65 PolarHBondContact O-N 3.38Å
10	V	98.1	Very high	84.6	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.024	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.2	-173.2	-172	0	0	0	0	111	V17 F20 I25 N35 F36 L37 L65	V10-V17 HydrophobicContact CG1-CG2 4.05Å; V10-F20 HydrophobicContact CG1-CD2 3.9Å; V10-F20 HydrophobicContact CG2-CB 3.99Å; V10-F20 HydrophobicContact CG2-CD2 4.24Å; V10-F20 HydrophobicContact CG2-CG 4.14Å; V10-I25 HydrophobicContact CG2-CG2 4.25Å; V10-N35 PolarHBondContact N-O 2.93Å; V10-F36 HydrophobicContact CB-CB 4.23Å; V10-F36 CarbonylContact O-C 3.52Å; V10-F36 WeakPolarHBondContact O-CA 3.48Å; V10-F36 WeakPolarHBondContact O-CB 3.34Å; V10-L37 PolarHBondContact O-N 3.06Å; V10-L65 CarbonylContact C-O 3.55Å; V10-L65 WeakPolarHBondContact CA-O 3.37Å; V10-L65 HydrophobicContact CG2-CB 4.4Å; V10-L65 HydrophobicContact CG2-CD1 4.3Å
11	I	98.1	Very high	85.1	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	109.4	169.3	-59.1	176.3	0	0	0	106.9	L37 V39 I48 F52 F55 I64 L65 I66 N67 I70	I11-L37 HydrophobicContact CG1-CB 4.39Å; I11-L37 HydrophobicContact CG2-CB 4.48Å; I11-L37 HydrophobicContact CG2-CD2 4.3Å; I11-V39 HydrophobicContact CG2-CG2 3.89Å; I11-I48 HydrophobicContact CG2-CG2 4.31Å; I11-F52 HydrophobicContact CD1-CB 3.98Å; I11-F52 HydrophobicContact CD1-CD2 4.19Å; I11-F55 HydrophobicContact CD1-CD2 3.95Å; I11-F55 HydrophobicContact CD1-CE2 4.09Å; I11-F55 HydrophobicContact CG1-CD2 3.99Å; I11-F55 HydrophobicContact CG1-CE2 3.69Å; I11-I64 HydrophobicContact CD1-CG2 4.49Å; I11-L65 PolarHBondContact N-O 3.42Å; I11-I66 HydrophobicContact CB-CB 4.39Å; I11-I66 HydrophobicContact CB-CD1 4.24Å; I11-I66 HydrophobicContact CB-CG1 4.05Å; I11-I66 HydrophobicContact CD1-CD1 4.45Å; I11-I66 HydrophobicContact CG2-CD1 4.19Å; I11-I66 HydrophobicContact CG2-CG1 4.23Å; I11-I66 VanDerWaalsContact O-CA 3.25Å; I11-I66 WeakPolarHBondContact O-CA 3.43Å; I11-N67 PolarHBondContact O-N 3.3Å; I11-N67 VanDerWaalsContact O-N 3.11Å; I11-I70 HydrophobicContact CG2-CG2 4.07Å
12	G	97.8	Very high	87.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	173	-171.4	0	0	0	0	0	115	L37 V38 V39 N67	G12-L37 PolarHBondContact N-O 3.27Å; G12-V38 CarbonylContact O-C 3.56Å; G12-V38 WeakPolarHBondContact O-CA 3.45Å; G12-V39 PolarHBondContact O-N 2.81Å; G12-N67 WeakPolarHBondContact CA-OD1 3.43Å
13	D	96.8	Very high	90.3	Very high	26 Å²	26	60.2 Å²	60.2	14%	0.139	35%	0.348	C	S	.	.			trans	-64.9	166.2	167.1	61.6	25.3	0	0	0	111.6	D15 T16 V17 N67 F69 S93	D13-D15 VanDerWaalsContact C-N 3.29Å; D13-D15 PolarHBondContact O-N 2.98Å; D13-T16 PolarHBondContact O-N 2.9Å; D13-T16 WeakPolarHBondContact OD1-CB 3.45Å; D13-T16 PolarHBondContact OD1-N 3.22Å; D13-T16 PolarHBondContact OD1-OG1 3.12Å; D13-V17 WeakPolarHBondContact O-CG2 3.45Å; D13-V17 PolarHBondContact O-N 3.09Å; D13-N67 PolarHBondContact N-OD1 2.89Å; D13-F69 HydrophobicContact CB-CZ 4.27Å; D13-S93 WeakPolarHBondContact OD2-CB 3.5Å; D13-S93 PolarHBondContact OD2-OG 2.76Å
14	E	95.9	Very high	92.6	Very high	127 Å²	127	60.4 Å²	60.4	59%	0.593	35%	0.35	S	S	*	.	H	α-helix	trans	-54.1	-44.7	-176.6	-173.5	-177.4	178.4	0	0	112.5	T18 V38	E14-T18 WeakPolarHBondContact O-CB 3.25Å; E14-T18 PolarHBondContact O-N 2.75Å; E14-T18 PolarHBondContact O-OG1 3.49Å; E14-V38 HydrophobicContact CB-CG1 4.11Å
15	D	95.4	Very high	94.1	Very high	84 Å²	84	51 Å²	51	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-44.8	179.9	-81	-27.9	0	0	0	111.3	D13 G19 K94	D13-D15 VanDerWaalsContact C-N 3.29Å; D13-D15 PolarHBondContact O-N 2.98Å; D15-G19 PolarHBondContact O-N 2.75Å; D15-K94 HydrophobicContact CB-CD 4.49Å; D15-K94 WeakPolarHBondContact OD2-CD 3.44Å; D15-K94 IonicContact OD2-NZ 2.71Å; D15-K94 PolarHBondContact OD2-NZ 3.19Å
16	T	96	Very high	95.1	Very high	18 Å²	18	49.8 Å²	49.8	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-50.6	179.2	-59.9	0	0	0	0	111.1	D13 T18 G19 F20 N67 I91	D13-T16 PolarHBondContact O-N 2.9Å; D13-T16 WeakPolarHBondContact OD1-CB 3.45Å; D13-T16 PolarHBondContact OD1-N 3.22Å; D13-T16 PolarHBondContact OD1-OG1 3.12Å; T16-T18 PolarHBondContact O-N 2.88Å; T16-G19 PolarHBondContact O-N 2.78Å; T16-F20 HydrophobicContact CG2-CD2 3.87Å; T16-F20 HydrophobicContact CG2-CE2 3.7Å; T16-F20 VanDerWaalsContact O-CD2 3.24Å; T16-F20 WeakPolarHBondContact O-CD2 3.42Å; T16-F20 PolarHBondContact O-N 3.43Å; T16-F20 VanDerWaalsContact O-N 3.15Å; T16-N67 PolarHBondContact OG1-ND2 3.43Å; T16-N67 PolarHBondContact OG1-OD1 2.85Å; T16-I91 HydrophobicContact CG2-CD1 3.65Å
17	V	96.6	Very high	95.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-45.1	-178.3	174.5	0	0	0	0	110.3	V10 D13 G19 F20 L21 F36 L37 V38	V10-V17 HydrophobicContact CG1-CG2 4.05Å; D13-V17 WeakPolarHBondContact O-CG2 3.45Å; D13-V17 PolarHBondContact O-N 3.09Å; V17-G19 VanDerWaalsContact C-N 3.31Å; V17-G19 PolarHBondContact O-N 3.29Å; V17-F20 PolarHBondContact O-N 3.27Å; V17-L21 HydrophobicContact CG1-CD1 3.83Å; V17-L21 HydrophobicContact CG1-CG 4.09Å; V17-L21 VanDerWaalsContact O-CG 3.28Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 3.11Å; V17-F36 HydrophobicContact CG1-CB 4.14Å; V17-F36 HydrophobicContact CG1-CD2 3.66Å; V17-F36 HydrophobicContact CG1-CE2 4.38Å; V17-F36 HydrophobicContact CG1-CG 4.08Å; V17-L37 WeakPolarHBondContact CG2-O 3.43Å; V17-V38 HydrophobicContact CB-CG2 3.96Å; V17-V38 HydrophobicContact CG1-CG2 3.73Å; V17-V38 HydrophobicContact CG2-CG2 4.15Å
18	T	95.9	Very high	95.3	Very high	67 Å²	67	52.1 Å²	52.1	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-57.6	-44.6	177.1	-61.6	0	0	0	0	111.4	E14 T16 F20 L21 L22	E14-T18 WeakPolarHBondContact O-CB 3.25Å; E14-T18 PolarHBondContact O-N 2.75Å; E14-T18 PolarHBondContact O-OG1 3.49Å; T16-T18 PolarHBondContact O-N 2.88Å; T18-F20 PolarHBondContact O-N 2.98Å; T18-L21 PolarHBondContact O-N 3.35Å; T18-L22 HydrophobicContact CG2-CD1 4.33Å; T18-L22 WeakPolarHBondContact O-CG 3.28Å; T18-L22 PolarHBondContact O-N 3.1Å
19	G	96.4	Very high	94.9	Very high	42 Å²	42	51.4 Å²	51.4	43%	0.433	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-45.1	176.4	0	0	0	0	0	113.3	D15 T16 V17 L22 G23	D15-G19 PolarHBondContact O-N 2.75Å; T16-G19 PolarHBondContact O-N 2.78Å; V17-G19 VanDerWaalsContact C-N 3.31Å; V17-G19 PolarHBondContact O-N 3.29Å; G19-L22 PolarHBondContact O-N 2.82Å; G19-G23 PolarHBondContact O-N 3.29Å; G19-G23 VanDerWaalsContact O-N 3.1Å
20	F	96.3	Very high	94.5	Very high	62 Å²	62	61 Å²	61	27%	0.272	36%	0.357	S	S	.	.	H	α-helix	trans	-72.7	-31.7	178.4	-77.1	-64.7	0	0	0	113.9	V10 T16 V17 T18 G23 G24 I25 L65 I91	V10-F20 HydrophobicContact CG1-CD2 3.9Å; V10-F20 HydrophobicContact CG2-CB 3.99Å; V10-F20 HydrophobicContact CG2-CD2 4.24Å; V10-F20 HydrophobicContact CG2-CG 4.14Å; T16-F20 HydrophobicContact CG2-CD2 3.87Å; T16-F20 HydrophobicContact CG2-CE2 3.7Å; T16-F20 VanDerWaalsContact O-CD2 3.24Å; T16-F20 WeakPolarHBondContact O-CD2 3.42Å; T16-F20 PolarHBondContact O-N 3.43Å; T16-F20 VanDerWaalsContact O-N 3.15Å; V17-F20 PolarHBondContact O-N 3.27Å; T18-F20 PolarHBondContact O-N 2.98Å; F20-G23 CarbonylContact O-C 3.59Å; F20-G23 WeakPolarHBondContact O-CA 3.33Å; F20-G23 PolarHBondContact O-N 3.33Å; F20-G23 VanDerWaalsContact O-N 3.16Å; F20-G24 PolarHBondContact O-N 3.01Å; F20-I25 HydrophobicContact CB-CD1 4.2Å; F20-I25 HydrophobicContact CD1-CD1 3.51Å; F20-I25 HydrophobicContact CE1-CD1 4.29Å; F20-I25 HydrophobicContact CG-CD1 4.2Å; F20-I25 PolarHBondContact O-N 3.5Å; F20-L65 HydrophobicContact CD1-CD1 3.99Å; F20-L65 HydrophobicContact CD2-CD1 4.43Å; F20-L65 HydrophobicContact CE1-CD1 3.53Å; F20-L65 HydrophobicContact CE2-CD1 4.05Å; F20-L65 HydrophobicContact CG-CD1 4.42Å; F20-L65 HydrophobicContact CZ-CD1 3.57Å; F20-I91 HydrophobicContact CE2-CD1 3.46Å; F20-I91 VanDerWaalsContact CE2-CD1 3.46Å; F20-I91 HydrophobicContact CZ-CD1 3.91Å
21	L	95.1	Very high	94.1	Very high	66 Å²	66	66.9 Å²	66.9	35%	0.346	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-41.1	172.7	-70.2	178.5	0	0	0	111.2	V17 T18 G23 G24 F36	V17-L21 HydrophobicContact CG1-CD1 3.83Å; V17-L21 HydrophobicContact CG1-CG 4.09Å; V17-L21 VanDerWaalsContact O-CG 3.28Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 3.11Å; T18-L21 PolarHBondContact O-N 3.35Å; L21-G23 PolarHBondContact O-N 3.27Å; L21-G24 PolarHBondContact O-N 3.38Å; L21-F36 HydrophobicContact CD1-CD2 4.48Å; L21-F36 HydrophobicContact CD1-CE1 4.39Å; L21-F36 HydrophobicContact CD1-CE2 4.16Å; L21-F36 HydrophobicContact CD1-CZ 4.12Å; L21-F36 HydrophobicContact CD2-CD1 3.7Å; L21-F36 HydrophobicContact CD2-CE1 3.69Å; L21-F36 HydrophobicContact CD2-CG 4.26Å; L21-F36 HydrophobicContact CD2-CZ 4.25Å
22	L	95.6	Very high	93.7	Very high	148 Å²	148	77 Å²	77	78%	0.775	43%	0.427	S	S	*	.	H	α-helix	trans	-62.8	-31.3	171.6	-68.1	172.9	0	0	0	112.3	T18 G19 G24	T18-L22 HydrophobicContact CG2-CD1 4.33Å; T18-L22 WeakPolarHBondContact O-CG 3.28Å; T18-L22 PolarHBondContact O-N 3.1Å; G19-L22 PolarHBondContact O-N 2.82Å; L22-G24 PolarHBondContact O-N 3.46Å
23	G	93.4	Very high	93.3	Very high	63 Å²	63	82.9 Å²	82.9	65%	0.649	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.1	171.9	0	0	0	0	0	115	G19 F20 L21	G19-G23 PolarHBondContact O-N 3.29Å; G19-G23 VanDerWaalsContact O-N 3.1Å; F20-G23 CarbonylContact O-C 3.59Å; F20-G23 WeakPolarHBondContact O-CA 3.33Å; F20-G23 PolarHBondContact O-N 3.33Å; F20-G23 VanDerWaalsContact O-N 3.16Å; L21-G23 PolarHBondContact O-N 3.27Å
24	G	92.4	Very high	93.3	Very high	64 Å²	64	83.9 Å²	83.9	66%	0.66	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	16.7	175.5	0	0	0	0	0	115.2	F20 L21 L22	F20-G24 PolarHBondContact O-N 3.01Å; L21-G24 PolarHBondContact O-N 3.38Å; L22-G24 PolarHBondContact O-N 3.46Å
25	I	92.4	Very high	93.3	Very high	38 Å²	38	77.9 Å²	77.9	20%	0.195	43%	0.433	C	S	.	.			trans	-78.8	-24.5	179.4	-65.8	179.5	0	0	0	112.5	I8 V10 F20 E27 N35	I8-I25 HydrophobicContact CB-CD1 4.25Å; I8-I25 HydrophobicContact CB-CG2 3.7Å; I8-I25 HydrophobicContact CD1-CD1 4.03Å; I8-I25 HydrophobicContact CD1-CG1 4.48Å; I8-I25 HydrophobicContact CG2-CD1 4.11Å; I8-I25 HydrophobicContact CG2-CG2 4.06Å; I8-I25 VanDerWaalsContact O-CG2 3.27Å; I8-I25 WeakPolarHBondContact O-CG2 3.17Å; V10-I25 HydrophobicContact CG2-CG2 4.25Å; F20-I25 HydrophobicContact CB-CD1 4.2Å; F20-I25 HydrophobicContact CD1-CD1 3.51Å; F20-I25 HydrophobicContact CE1-CD1 4.29Å; F20-I25 HydrophobicContact CG-CD1 4.2Å; F20-I25 PolarHBondContact O-N 3.5Å; I25-E27 PolarHBondContact O-N 3.02Å; I25-N35 PolarHBondContact O-ND2 3.48Å
26	G	91.5	Very high	93.4	Very high	40 Å²	40	76.4 Å²	76.4	41%	0.412	42%	0.422	S	S	.	.			trans	-62.6	124.9	-173.4	0	0	0	0	0	114
27	E	93.2	Very high	93.4	Very high	83 Å²	83	76.6 Å²	76.6	39%	0.388	42%	0.423	S	S	.	.			trans	-137.5	137.5	174.7	-176	167.6	136.4	0	0	111.3	L7 I25 N35	L7-E27 HydrophobicContact CD1-CB 4.32Å; L7-E27 HydrophobicContact CD1-CG 4.3Å; L7-E27 WeakPolarHBondContact CD1-OE1 3.44Å; L7-E27 WeakPolarHBondContact CD2-OE2 3.39Å; I25-E27 PolarHBondContact O-N 3.02Å; E27-N35 PolarHBondContact N-OD1 3.44Å; E27-N35 PolarHBondContact O-N 2.85Å; E27-N35 VanDerWaalsContact O-N 3.11Å; E27-N35 PolarHBondContact O-OD1 2.98Å; E27-N35 VanDerWaalsContact O-OD1 3.1Å
28	L	91.3	Very high	93.5	Very high	108 Å²	108	78.7 Å²	78.7	57%	0.565	44%	0.435	S	S	*	.	B	Isolated β-bridge	trans	-100.1	125.8	167.3	-64.8	177.3	0	0	0	109.1	P34	L28-P34 HydrophobicContact CD2-CB 3.97Å
29	N	87.7	Confident	93.5	Very high	38 Å²	38	76.3 Å²	76.3	20%	0.203	42%	0.421	C	S	.	.			trans	-72.6	179.1	175.5	76.5	10.8	0	0	0	111.8	N31 R32 K33	N29-N31 PolarHBondContact O-N 3.28Å; N29-N31 WeakPolarHBondContact OD1-CA 3.29Å; N29-N31 WeakPolarHBondContact OD1-CB 3.03Å; N29-N31 PolarHBondContact OD1-N 3.39Å; N29-R32 WeakPolarHBondContact O-CA 3.27Å; N29-R32 PolarHBondContact O-N 3.22Å; N29-R32 PolarHBondContact OD1-N 2.88Å; N29-K33 PolarHBondContact N-O 2.93Å; N29-K33 PolarHBondContact OD1-N 3.49Å
30	K	87.9	Confident	93.4	Very high	201 Å²	201	79.9 Å²	79.9	87%	0.874	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-27	178.9	-63.9	-176.9	-179.3	179.8	0	114.2	R32	K30-R32 VanDerWaalsContact C-N 3.3Å
31	N	89.8	Confident	93.1	Very high	128 Å²	128	87.4 Å²	87.4	68%	0.684	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	14.6	179.6	-59.7	-17.7	0	0	0	111.9	N29 K33	N29-N31 PolarHBondContact O-N 3.28Å; N29-N31 WeakPolarHBondContact OD1-CA 3.29Å; N29-N31 WeakPolarHBondContact OD1-CB 3.03Å; N29-N31 PolarHBondContact OD1-N 3.39Å; N31-K33 HydrophobicContact CB-CG 4.4Å; N31-K33 PolarHBondContact O-N 2.81Å
32	R	89.7	Confident	93.1	Very high	213 Å²	213	90.5 Å²	90.5	80%	0.804	48%	0.476	S	S	*	.	S	Bend	trans	57.2	25.6	-175.6	-63.4	-179.3	144.9	-176.3	-6.5	114	N29 K30	N29-R32 WeakPolarHBondContact O-CA 3.27Å; N29-R32 PolarHBondContact O-N 3.22Å; N29-R32 PolarHBondContact OD1-N 2.88Å; K30-R32 VanDerWaalsContact C-N 3.3Å
33	K	90.7	Very high	93.1	Very high	123 Å²	123	84.5 Å²	84.5	54%	0.535	45%	0.445	S	S	.	.			trans	-86.6	129.7	171.7	-60.3	-170.2	172.6	-168.3	0	109.7	N29 N31	N29-K33 PolarHBondContact N-O 2.93Å; N29-K33 PolarHBondContact OD1-N 3.49Å; N31-K33 HydrophobicContact CB-CG 4.4Å; N31-K33 PolarHBondContact O-N 2.81Å
34	P	95.4	Very high	93.2	Very high	47 Å²	47	84 Å²	84	31%	0.305	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-70.3	160.5	176.5	30.6	-34.8	0	0	0	111.9	L28 F36 R58	L28-P34 HydrophobicContact CD2-CB 3.97Å; P34-F36 VanDerWaalsContact C-N 3.26Å; P34-F36 HydrophobicContact CB-CD1 3.73Å; P34-F36 HydrophobicContact CB-CD2 4.42Å; P34-F36 HydrophobicContact CB-CE1 3.56Å; P34-F36 HydrophobicContact CB-CE2 4.29Å; P34-F36 HydrophobicContact CB-CG 4.17Å; P34-F36 HydrophobicContact CB-CZ 3.86Å; P34-F36 WeakPolarHBondContact CG-O 3.2Å; P34-R58 PolarHBondContact O-NH1 2.94Å
35	N	95.8	Very high	93.4	Very high	1 Å²	1	85.1 Å²	85.1	1%	0.005	42%	0.422	C	S	.	.	S	Bend	trans	-91.8	21.3	163.4	65.6	-25.1	0	0	0	112.1	I8 A9 V10 I25 E27	I8-N35 PolarHBondContact O-ND2 3.12Å; A9-N35 CarbonylContact C-O 3.54Å; A9-N35 WeakPolarHBondContact CA-O 3.49Å; A9-N35 HydrophobicContact CB-CB 4.3Å; A9-N35 WeakPolarHBondContact CB-O 3.28Å; V10-N35 PolarHBondContact N-O 2.93Å; I25-N35 PolarHBondContact O-ND2 3.48Å; E27-N35 PolarHBondContact N-OD1 3.44Å; E27-N35 PolarHBondContact O-N 2.85Å; E27-N35 VanDerWaalsContact O-N 3.11Å; E27-N35 PolarHBondContact O-OD1 2.98Å; E27-N35 VanDerWaalsContact O-OD1 3.1Å
36	F	97.6	Very high	93.6	Very high	54 Å²	54	87.5 Å²	87.5	24%	0.237	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157	176.9	60.6	-88.9	0	0	0	111.7	V10 V17 L21 P34 V38	V10-F36 HydrophobicContact CB-CB 4.23Å; V10-F36 CarbonylContact O-C 3.52Å; V10-F36 WeakPolarHBondContact O-CA 3.48Å; V10-F36 WeakPolarHBondContact O-CB 3.34Å; V17-F36 HydrophobicContact CG1-CB 4.14Å; V17-F36 HydrophobicContact CG1-CD2 3.66Å; V17-F36 HydrophobicContact CG1-CE2 4.38Å; V17-F36 HydrophobicContact CG1-CG 4.08Å; L21-F36 HydrophobicContact CD1-CD2 4.48Å; L21-F36 HydrophobicContact CD1-CE1 4.39Å; L21-F36 HydrophobicContact CD1-CE2 4.16Å; L21-F36 HydrophobicContact CD1-CZ 4.12Å; L21-F36 HydrophobicContact CD2-CD1 3.7Å; L21-F36 HydrophobicContact CD2-CE1 3.69Å; L21-F36 HydrophobicContact CD2-CG 4.26Å; L21-F36 HydrophobicContact CD2-CZ 4.25Å; P34-F36 VanDerWaalsContact C-N 3.26Å; P34-F36 HydrophobicContact CB-CD1 3.73Å; P34-F36 HydrophobicContact CB-CD2 4.42Å; P34-F36 HydrophobicContact CB-CE1 3.56Å; P34-F36 HydrophobicContact CB-CE2 4.29Å; P34-F36 HydrophobicContact CB-CG 4.17Å; P34-F36 HydrophobicContact CB-CZ 3.86Å; P34-F36 WeakPolarHBondContact CG-O 3.2Å; F36-V38 HydrophobicContact CD2-CG2 4.5Å
37	L	97.9	Very high	93.9	Very high	22 Å²	22	89.6 Å²	89.6	12%	0.115	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.3	170	179.9	67.3	0	0	0	108.4	V10 I11 G12 V17 V39 I48 T51	V10-L37 PolarHBondContact O-N 3.06Å; I11-L37 HydrophobicContact CG1-CB 4.39Å; I11-L37 HydrophobicContact CG2-CB 4.48Å; I11-L37 HydrophobicContact CG2-CD2 4.3Å; G12-L37 PolarHBondContact N-O 3.27Å; V17-L37 WeakPolarHBondContact CG2-O 3.43Å; L37-V39 HydrophobicContact CD2-CG2 4.05Å; L37-V39 HydrophobicContact CG-CG2 4.15Å; L37-I48 HydrophobicContact CD2-CG1 4.39Å; L37-T51 HydrophobicContact CB-CG2 3.93Å; L37-T51 HydrophobicContact CD2-CG2 3.98Å; L37-T51 HydrophobicContact CG-CG2 4.43Å
38	V	97.3	Very high	94.1	Very high	45 Å²	45	85.6 Å²	85.6	27%	0.273	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.4	167.2	-177.4	0	0	0	0	107.2	G12 E14 V17 F36 E40	G12-V38 CarbonylContact O-C 3.56Å; G12-V38 WeakPolarHBondContact O-CA 3.45Å; E14-V38 HydrophobicContact CB-CG1 4.11Å; V17-V38 HydrophobicContact CB-CG2 3.96Å; V17-V38 HydrophobicContact CG1-CG2 3.73Å; V17-V38 HydrophobicContact CG2-CG2 4.15Å; F36-V38 HydrophobicContact CD2-CG2 4.5Å; V38-E40 HydrophobicContact CG1-CG 4.32Å
39	V	96.8	Very high	94.4	Very high	17 Å²	17	82.4 Å²	82.4	10%	0.103	40%	0.4	C	S	.	.			trans	-99.6	113.5	179	180	0	0	0	0	108.3	I11 G12 L37 T43 I48 I70	I11-V39 HydrophobicContact CG2-CG2 3.89Å; G12-V39 PolarHBondContact O-N 2.81Å; L37-V39 HydrophobicContact CD2-CG2 4.05Å; L37-V39 HydrophobicContact CG-CG2 4.15Å; V39-T43 HydrophobicContact CG1-CG2 4.34Å; V39-I48 HydrophobicContact CG1-CD1 3.87Å; V39-I48 HydrophobicContact CG1-CG1 4.43Å; V39-I48 HydrophobicContact CG2-CD1 4.43Å; V39-I48 HydrophobicContact CG2-CG1 4.22Å; V39-I70 HydrophobicContact CB-CD1 3.74Å; V39-I70 HydrophobicContact CG1-CD1 4.12Å; V39-I70 HydrophobicContact CG1-CG1 4.39Å; V39-I70 HydrophobicContact CG2-CD1 3.82Å; V39-I70 HydrophobicContact CG2-CG2 4.31Å
40	E	94.4	Very high	94.9	Very high	116 Å²	116	86.7 Å²	86.7	54%	0.542	42%	0.419	S	S	.	.			trans	-101.4	178.3	174.8	-65.5	-174.4	-167.9	0	0	110.3	V38 D42 T43	V38-E40 HydrophobicContact CG1-CG 4.32Å; E40-D42 WeakPolarHBondContact CB-OD1 3.35Å; E40-D42 PolarHBondContact O-N 3.16Å; E40-T43 PolarHBondContact N-OG1 3.42Å; E40-T43 WeakPolarHBondContact O-CB 3.28Å; E40-T43 PolarHBondContact O-N 3.1Å; E40-T43 PolarHBondContact O-OG1 2.99Å
41	K	90.3	Very high	95.3	Very high	221 Å²	221	78.5 Å²	78.5	96%	0.961	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.2	-176.5	-66.3	-177.7	-179.1	177.7	0	113.6
42	D	93.7	Very high	95.7	Very high	131 Å²	131	72.4 Å²	72.4	70%	0.701	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-7	-179.9	64.1	-23.8	0	0	0	113	E40 S44	E40-D42 WeakPolarHBondContact CB-OD1 3.35Å; E40-D42 PolarHBondContact O-N 3.16Å; D42-S44 PolarHBondContact O-N 3.29Å
43	T	95.3	Very high	96	Very high	21 Å²	21	67.6 Å²	67.6	13%	0.129	34%	0.338	C	S	.	.			trans	-62.2	124.3	174.5	-52.5	0	0	0	0	110	V39 E40 E47 I48	V39-T43 HydrophobicContact CG1-CG2 4.34Å; E40-T43 PolarHBondContact N-OG1 3.42Å; E40-T43 WeakPolarHBondContact O-CB 3.28Å; E40-T43 PolarHBondContact O-N 3.1Å; E40-T43 PolarHBondContact O-OG1 2.99Å; T43-E47 HydrophobicContact CG2-CB 4.42Å; T43-E47 HydrophobicContact CG2-CG 4.3Å; T43-I48 HydrophobicContact CG2-CD1 4.36Å; T43-I48 HydrophobicContact CG2-CG1 3.89Å
44	S	97.1	Very high	96.3	Very high	54 Å²	54	64.1 Å²	64.1	38%	0.378	33%	0.33	S	S	.	.			trans	-75.9	148.4	-176.3	73	0	0	0	0	112.1	D42 T46 E47 I48	D42-S44 PolarHBondContact O-N 3.29Å; S44-T46 PolarHBondContact O-N 3.19Å; S44-E47 WeakPolarHBondContact O-CB 3.45Å; S44-E47 PolarHBondContact O-N 3.37Å; S44-E47 VanDerWaalsContact O-N 3.09Å; S44-E47 VanDerWaalsContact OG-CB 3.28Å; S44-E47 WeakPolarHBondContact OG-CB 3.39Å; S44-E47 PolarHBondContact OG-N 3.19Å; S44-E47 VanDerWaalsContact OG-N 3.14Å; S44-I48 WeakPolarHBondContact O-CG1 3.49Å; S44-I48 PolarHBondContact O-N 3.45Å; S44-I48 VanDerWaalsContact O-N 3.16Å
45	I	96.4	Very high	96.3	Very high	87 Å²	87	62.1 Å²	62.1	45%	0.446	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-38.9	174.3	-61.2	171	0	0	0	110.7	E47 I48 E49 M73 I74	I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 2.9Å; I45-I48 PolarHBondContact O-N 3.42Å; I45-E49 PolarHBondContact O-N 2.9Å; I45-M73 HydrophobicContact CD1-CE 4.47Å; I45-M73 HydrophobicContact CG1-CE 3.71Å; I45-I74 HydrophobicContact CG2-CG2 4.04Å
46	T	97	Very high	96.3	Very high	88 Å²	88	63.7 Å²	63.7	54%	0.54	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-44.7	177.2	-49.8	0	0	0	0	111.7	S44 E49 E50	S44-T46 PolarHBondContact O-N 3.19Å; T46-E49 PolarHBondContact O-N 2.62Å; T46-E50 HydrophobicContact CG2-CG 4.42Å; T46-E50 WeakPolarHBondContact O-CB 3.33Å; T46-E50 WeakPolarHBondContact O-CG 3.47Å; T46-E50 PolarHBondContact O-N 2.95Å
47	E	97.1	Very high	96.1	Very high	83 Å²	83	64.9 Å²	64.9	39%	0.388	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-40.5	179	179.1	176.9	-177.9	0	0	112.3	T43 S44 I45 E49 T51	T43-E47 HydrophobicContact CG2-CB 4.42Å; T43-E47 HydrophobicContact CG2-CG 4.3Å; S44-E47 WeakPolarHBondContact O-CB 3.45Å; S44-E47 PolarHBondContact O-N 3.37Å; S44-E47 VanDerWaalsContact O-N 3.09Å; S44-E47 VanDerWaalsContact OG-CB 3.28Å; S44-E47 WeakPolarHBondContact OG-CB 3.39Å; S44-E47 PolarHBondContact OG-N 3.19Å; S44-E47 VanDerWaalsContact OG-N 3.14Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 2.9Å; E47-E49 VanDerWaalsContact C-N 3.35Å; E47-T51 VanDerWaalsContact O-CB 3.28Å; E47-T51 WeakPolarHBondContact O-CB 3.44Å; E47-T51 PolarHBondContact O-N 2.9Å; E47-T51 PolarHBondContact O-OG1 3.42Å
48	I	97.8	Very high	95.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-46.6	175.2	-60	167.1	0	0	0	109.7	I11 L37 V39 T43 S44 I45 T51 F52 I70 M73 I74	I11-I48 HydrophobicContact CG2-CG2 4.31Å; L37-I48 HydrophobicContact CD2-CG1 4.39Å; V39-I48 HydrophobicContact CG1-CD1 3.87Å; V39-I48 HydrophobicContact CG1-CG1 4.43Å; V39-I48 HydrophobicContact CG2-CD1 4.43Å; V39-I48 HydrophobicContact CG2-CG1 4.22Å; T43-I48 HydrophobicContact CG2-CD1 4.36Å; T43-I48 HydrophobicContact CG2-CG1 3.89Å; S44-I48 WeakPolarHBondContact O-CG1 3.49Å; S44-I48 PolarHBondContact O-N 3.45Å; S44-I48 VanDerWaalsContact O-N 3.16Å; I45-I48 PolarHBondContact O-N 3.42Å; I48-T51 PolarHBondContact O-N 2.83Å; I48-F52 WeakPolarHBondContact O-CB 3.35Å; I48-F52 PolarHBondContact O-N 2.93Å; I48-I70 HydrophobicContact CD1-CG2 4.19Å; I48-I70 HydrophobicContact CG2-CG2 3.75Å; I48-M73 HydrophobicContact CD1-CE 3.88Å; I48-M73 HydrophobicContact CD1-SD 4.29Å; I48-I74 HydrophobicContact CB-CG2 4.32Å; I48-I74 HydrophobicContact CG2-CD1 4.04Å; I48-I74 HydrophobicContact CG2-CG1 4.31Å; I48-I74 HydrophobicContact CG2-CG2 4Å
49	E	97.3	Very high	95.5	Very high	40 Å²	40	70 Å²	70	19%	0.187	37%	0.368	C	S	.	.	H	α-helix	trans	-65.4	-44.7	-179.9	-171	178.9	155.8	0	0	112.4	I45 T46 E47 T51 F52 K53 I74 H76 A77	I45-E49 PolarHBondContact O-N 2.9Å; T46-E49 PolarHBondContact O-N 2.62Å; E47-E49 VanDerWaalsContact C-N 3.35Å; E49-T51 VanDerWaalsContact C-N 3.33Å; E49-T51 PolarHBondContact O-N 2.79Å; E49-F52 PolarHBondContact O-N 2.86Å; E49-K53 HydrophobicContact CG-CD 4.28Å; E49-K53 WeakPolarHBondContact O-CB 3.33Å; E49-K53 WeakPolarHBondContact O-CG 3.42Å; E49-K53 PolarHBondContact O-N 3.3Å; E49-K53 WeakPolarHBondContact OE1-CE 3.34Å; E49-K53 IonicContact OE1-NZ 3.55Å; E49-K53 PolarHBondContact OE1-NZ 2.8Å; E49-I74 HydrophobicContact CB-CG2 3.98Å; E49-H76 VanDerWaalsContact CD-NE2 3.35Å; E49-H76 IonicContact OE1-NE2 3.49Å; E49-H76 IonicContact OE2-CE1 3.91Å; E49-H76 PolarHBondContact OE2-CE1 2.87Å; E49-H76 IonicContact OE2-NE2 2.76Å; E49-H76 PolarHBondContact OE2-NE2 3.05Å; E49-A77 HydrophobicContact CG-CB 4.01Å
50	E	97.3	Very high	95.3	Very high	129 Å²	129	72.1 Å²	72.1	60%	0.603	38%	0.378	S	S	*	.	H	α-helix	trans	-62.5	-41.2	176.6	-75.8	-176.5	167.3	0	0	111.5	T46 K53 S54	T46-E50 HydrophobicContact CG2-CG 4.42Å; T46-E50 WeakPolarHBondContact O-CB 3.33Å; T46-E50 WeakPolarHBondContact O-CG 3.47Å; T46-E50 PolarHBondContact O-N 2.95Å; E50-K53 PolarHBondContact O-N 3.4Å; E50-S54 VanDerWaalsContact O-CB 3.29Å; E50-S54 WeakPolarHBondContact O-CB 3.48Å; E50-S54 PolarHBondContact O-N 2.82Å
51	T	97.4	Very high	95.3	Very high	28 Å²	28	66.6 Å²	66.6	17%	0.172	35%	0.353	C	S	.	.	H	α-helix	trans	-67.4	-43.2	177.6	-59.3	0	0	0	0	111.6	L37 E47 I48 E49 K53 S54 F55	L37-T51 HydrophobicContact CB-CG2 3.93Å; L37-T51 HydrophobicContact CD2-CG2 3.98Å; L37-T51 HydrophobicContact CG-CG2 4.43Å; E47-T51 VanDerWaalsContact O-CB 3.28Å; E47-T51 WeakPolarHBondContact O-CB 3.44Å; E47-T51 PolarHBondContact O-N 2.9Å; E47-T51 PolarHBondContact O-OG1 3.42Å; I48-T51 PolarHBondContact O-N 2.83Å; E49-T51 VanDerWaalsContact C-N 3.33Å; E49-T51 PolarHBondContact O-N 2.79Å; T51-K53 PolarHBondContact O-N 3.49Å; T51-S54 WeakPolarHBondContact O-CB 3.06Å; T51-S54 PolarHBondContact O-N 2.86Å; T51-F55 HydrophobicContact CG2-CD2 4.29Å; T51-F55 HydrophobicContact CG2-CE1 4.06Å; T51-F55 HydrophobicContact CG2-CE2 3.76Å; T51-F55 HydrophobicContact CG2-CZ 3.62Å; T51-F55 WeakPolarHBondContact O-CG 3.45Å; T51-F55 PolarHBondContact O-N 3.09Å
52	F	97.8	Very high	95.5	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-57.6	-49.3	173.9	177.6	-107.9	0	0	0	111.4	I11 I48 E49 S54 F55 L56 I64 I74 A77 I78 V88	I11-F52 HydrophobicContact CD1-CB 3.98Å; I11-F52 HydrophobicContact CD1-CD2 4.19Å; I48-F52 WeakPolarHBondContact O-CB 3.35Å; I48-F52 PolarHBondContact O-N 2.93Å; E49-F52 PolarHBondContact O-N 2.86Å; F52-S54 VanDerWaalsContact C-N 3.32Å; F52-S54 PolarHBondContact O-N 3.16Å; F52-F55 PolarHBondContact O-N 3.14Å; F52-F55 VanDerWaalsContact O-N 3.12Å; F52-L56 HydrophobicContact CD1-CD1 4.05Å; F52-L56 HydrophobicContact CD1-CG 4.41Å; F52-L56 HydrophobicContact CE1-CD1 3.51Å; F52-L56 HydrophobicContact CE1-CD2 4.49Å; F52-L56 HydrophobicContact CE1-CG 4.08Å; F52-L56 HydrophobicContact CE2-CD2 4.32Å; F52-L56 HydrophobicContact CE2-CG 4.46Å; F52-L56 HydrophobicContact CZ-CD1 3.88Å; F52-L56 HydrophobicContact CZ-CD2 4.03Å; F52-L56 HydrophobicContact CZ-CG 4.09Å; F52-L56 WeakPolarHBondContact O-CG 3.28Å; F52-L56 PolarHBondContact O-N 3.07Å; F52-I64 HydrophobicContact CD2-CG2 4.42Å; F52-I64 HydrophobicContact CE2-CD1 4.31Å; F52-I64 HydrophobicContact CE2-CG2 4.46Å; F52-I74 HydrophobicContact CB-CD1 3.84Å; F52-I74 HydrophobicContact CD1-CD1 4.11Å; F52-I74 HydrophobicContact CD2-CD1 4.33Å; F52-I74 HydrophobicContact CG-CD1 3.84Å; F52-A77 HydrophobicContact CD1-CB 4.14Å; F52-A77 HydrophobicContact CE1-CB 4.28Å; F52-I78 HydrophobicContact CE1-CG1 4.04Å; F52-I78 HydrophobicContact CE2-CG1 4.21Å; F52-I78 HydrophobicContact CZ-CB 4.42Å; F52-I78 HydrophobicContact CZ-CG1 3.78Å; F52-V88 HydrophobicContact CE2-CG1 4.04Å; F52-V88 HydrophobicContact CE2-CG2 3.86Å; F52-V88 HydrophobicContact CZ-CG1 4.46Å; F52-V88 HydrophobicContact CZ-CG2 3.95Å
53	K	96.6	Very high	95.6	Very high	111 Å²	111	53.7 Å²	53.7	48%	0.483	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-38.9	176.1	-74.8	171.3	172.5	169.3	0	112.7	E49 E50 T51 F55 L56 A57	E49-K53 HydrophobicContact CG-CD 4.28Å; E49-K53 WeakPolarHBondContact O-CB 3.33Å; E49-K53 WeakPolarHBondContact O-CG 3.42Å; E49-K53 PolarHBondContact O-N 3.3Å; E49-K53 WeakPolarHBondContact OE1-CE 3.34Å; E49-K53 IonicContact OE1-NZ 3.55Å; E49-K53 PolarHBondContact OE1-NZ 2.8Å; E50-K53 PolarHBondContact O-N 3.4Å; T51-K53 PolarHBondContact O-N 3.49Å; K53-F55 VanDerWaalsContact C-N 3.32Å; K53-F55 PolarHBondContact O-N 2.96Å; K53-L56 PolarHBondContact O-N 2.79Å; K53-A57 PolarHBondContact O-N 2.89Å
54	S	96.1	Very high	95.8	Very high	50 Å²	50	52.7 Å²	52.7	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-39.1	174.6	174	0	0	0	0	111.9	E50 T51 F52 A57 R58	E50-S54 VanDerWaalsContact O-CB 3.29Å; E50-S54 WeakPolarHBondContact O-CB 3.48Å; E50-S54 PolarHBondContact O-N 2.82Å; T51-S54 WeakPolarHBondContact O-CB 3.06Å; T51-S54 PolarHBondContact O-N 2.86Å; F52-S54 VanDerWaalsContact C-N 3.32Å; F52-S54 PolarHBondContact O-N 3.16Å; S54-A57 PolarHBondContact O-N 3.39Å; S54-R58 WeakPolarHBondContact O-CG 3.46Å
55	F	96.4	Very high	95.8	Very high	6 Å²	6	51 Å²	51	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-70.7	-36.5	173.9	-66.6	-14.3	0	0	0	112.8	A9 I11 T51 F52 K53 A57 R58 I61 I64	A9-F55 HydrophobicContact CB-CD2 3.75Å; A9-F55 HydrophobicContact CB-CE2 3.96Å; A9-F55 HydrophobicContact CB-CG 4.07Å; A9-F55 HydrophobicContact CB-CZ 4.46Å; I11-F55 HydrophobicContact CD1-CD2 3.95Å; I11-F55 HydrophobicContact CD1-CE2 4.09Å; I11-F55 HydrophobicContact CG1-CD2 3.99Å; I11-F55 HydrophobicContact CG1-CE2 3.69Å; T51-F55 HydrophobicContact CG2-CD2 4.29Å; T51-F55 HydrophobicContact CG2-CE1 4.06Å; T51-F55 HydrophobicContact CG2-CE2 3.76Å; T51-F55 HydrophobicContact CG2-CZ 3.62Å; T51-F55 WeakPolarHBondContact O-CG 3.45Å; T51-F55 PolarHBondContact O-N 3.09Å; F52-F55 PolarHBondContact O-N 3.14Å; F52-F55 VanDerWaalsContact O-N 3.12Å; K53-F55 VanDerWaalsContact C-N 3.32Å; K53-F55 PolarHBondContact O-N 2.96Å; F55-A57 VanDerWaalsContact C-N 3.32Å; F55-A57 PolarHBondContact O-N 3.15Å; F55-R58 WeakPolarHBondContact O-CB 3.24Å; F55-R58 PolarHBondContact O-N 3.28Å; F55-I61 HydrophobicContact CB-CD1 3.85Å; F55-I61 HydrophobicContact CD1-CD1 3.9Å; F55-I61 HydrophobicContact CG-CD1 4Å; F55-I64 HydrophobicContact CB-CD1 3.68Å; F55-I64 HydrophobicContact CB-CG1 4.2Å
56	L	95.4	Very high	95.8	Very high	34 Å²	34	46.9 Å²	46.9	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-39.2	173	-67.9	-175.8	0	0	0	112.5	F52 K53 R58 I64 H81 P86 V88	F52-L56 HydrophobicContact CD1-CD1 4.05Å; F52-L56 HydrophobicContact CD1-CG 4.41Å; F52-L56 HydrophobicContact CE1-CD1 3.51Å; F52-L56 HydrophobicContact CE1-CD2 4.49Å; F52-L56 HydrophobicContact CE1-CG 4.08Å; F52-L56 HydrophobicContact CE2-CD2 4.32Å; F52-L56 HydrophobicContact CE2-CG 4.46Å; F52-L56 HydrophobicContact CZ-CD1 3.88Å; F52-L56 HydrophobicContact CZ-CD2 4.03Å; F52-L56 HydrophobicContact CZ-CG 4.09Å; F52-L56 WeakPolarHBondContact O-CG 3.28Å; F52-L56 PolarHBondContact O-N 3.07Å; K53-L56 PolarHBondContact O-N 2.79Å; L56-R58 PolarHBondContact O-N 3.05Å; L56-I64 HydrophobicContact CD2-CD1 3.73Å; L56-I64 HydrophobicContact CG-CD1 4.39Å; L56-H81 HydrophobicContact CD1-CB 4.2Å; L56-P86 HydrophobicContact CD2-CG 3.64Å; L56-V88 HydrophobicContact CD2-CG2 4.38Å
57	A	93.9	Very high	95.9	Very high	78 Å²	78	42.7 Å²	42.7	65%	0.645	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.8	-179.5	0	0	0	0	0	114	K53 S54 F55	K53-A57 PolarHBondContact O-N 2.89Å; S54-A57 PolarHBondContact O-N 3.39Å; F55-A57 VanDerWaalsContact C-N 3.32Å; F55-A57 PolarHBondContact O-N 3.15Å
58	R	92.3	Very high	95.8	Very high	29 Å²	29	39.3 Å²	39.3	11%	0.109	22%	0.215	C	C	.	.			trans	-88.6	108.1	-176.2	-90.9	-177	72.8	173.1	4.8	111.3	P34 S54 F55 L56 D60 I61	P34-R58 PolarHBondContact O-NH1 2.94Å; S54-R58 WeakPolarHBondContact O-CG 3.46Å; F55-R58 WeakPolarHBondContact O-CB 3.24Å; F55-R58 PolarHBondContact O-N 3.28Å; L56-R58 PolarHBondContact O-N 3.05Å; R58-D60 VanDerWaalsContact CB-OD1 3.25Å; R58-D60 WeakPolarHBondContact CB-OD1 3.49Å; R58-D60 IonicContact CZ-OD1 2.82Å; R58-D60 IonicContact CZ-OD2 2.85Å; R58-D60 IonicContact NE-OD1 3.75Å; R58-D60 PolarHBondContact NE-OD1 2.86Å; R58-D60 IonicContact NE-OD2 3.49Å; R58-D60 PolarHBondContact NE-OD2 3.3Å; R58-D60 IonicContact NH2-OD1 3.2Å; R58-D60 IonicContact NH2-OD2 3.55Å; R58-D60 PolarHBondContact NH2-OD2 2.74Å; R58-D60 PolarHBondContact O-N 2.94Å; R58-D60 VanDerWaalsContact O-N 3.12Å; R58-I61 HydrophobicContact CB-CB 4.41Å; R58-I61 HydrophobicContact CB-CD1 3.71Å; R58-I61 HydrophobicContact CB-CG1 3.97Å; R58-I61 HydrophobicContact CG-CD1 4.31Å; R58-I61 PolarHBondContact O-N 3.48Å; R58-I61 VanDerWaalsContact O-N 3.09Å
59	N	90.4	Very high	95.6	Very high	146 Å²	146	42.5 Å²	42.5	78%	0.781	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.9	179.5	-62.2	-25	0	0	0	114.3
60	D	91.7	Very high	95.6	Very high	61 Å²	61	40.6 Å²	40.6	33%	0.326	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.5	178.3	61.9	-28.5	0	0	0	113.4	K6 L7 R58	K6-D60 CarbonylContact C-O 3.52Å; K6-D60 WeakPolarHBondContact CA-O 3.45Å; L7-D60 PolarHBondContact N-O 3.19Å; R58-D60 VanDerWaalsContact CB-OD1 3.25Å; R58-D60 WeakPolarHBondContact CB-OD1 3.49Å; R58-D60 IonicContact CZ-OD1 2.82Å; R58-D60 IonicContact CZ-OD2 2.85Å; R58-D60 IonicContact NE-OD1 3.75Å; R58-D60 PolarHBondContact NE-OD1 2.86Å; R58-D60 IonicContact NE-OD2 3.49Å; R58-D60 PolarHBondContact NE-OD2 3.3Å; R58-D60 IonicContact NH2-OD1 3.2Å; R58-D60 IonicContact NH2-OD2 3.55Å; R58-D60 PolarHBondContact NH2-OD2 2.74Å; R58-D60 PolarHBondContact O-N 2.94Å; R58-D60 VanDerWaalsContact O-N 3.12Å
61	I	94.7	Very high	95.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132	176.5	-64.4	173.7	0	0	0	110	L7 A9 F55 R58 I63 I64 P86	L7-I61 WeakPolarHBondContact O-CA 2.92Å; A9-I61 HydrophobicContact CB-CD1 3.75Å; A9-I61 HydrophobicContact CB-CG1 4.35Å; A9-I61 HydrophobicContact CB-CG2 4.07Å; F55-I61 HydrophobicContact CB-CD1 3.85Å; F55-I61 HydrophobicContact CD1-CD1 3.9Å; F55-I61 HydrophobicContact CG-CD1 4Å; R58-I61 HydrophobicContact CB-CB 4.41Å; R58-I61 HydrophobicContact CB-CD1 3.71Å; R58-I61 HydrophobicContact CB-CG1 3.97Å; R58-I61 HydrophobicContact CG-CD1 4.31Å; R58-I61 PolarHBondContact O-N 3.48Å; R58-I61 VanDerWaalsContact O-N 3.09Å; I61-I63 WeakPolarHBondContact CG2-O 3.18Å; I61-I64 HydrophobicContact CG2-CG1 3.86Å; I61-P86 HydrophobicContact CG2-CB 4.03Å
62	A	95.1	Very high	95.3	Very high	25 Å²	25	37.5 Å²	37.5	21%	0.207	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-35.7	172.4	0	0	0	0	0	113	K6 L7 P86 A87	K6-A62 HydrophobicContact CB-CB 3.39Å; K6-A62 HydrophobicContact CD-CB 3.7Å; K6-A62 HydrophobicContact CG-CB 4.18Å; L7-A62 PolarHBondContact O-N 3.35Å; A62-P86 CarbonylContact O-C 3.52Å; A62-P86 VanDerWaalsContact O-CA 3.28Å; A62-P86 WeakPolarHBondContact O-CA 3.31Å; A62-A87 PolarHBondContact O-N 3.07Å
63	I	95.8	Very high	95.2	Very high	56 Å²	56	41.1 Å²	41.1	29%	0.287	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.5	-171.9	-56.7	174.4	0	0	0	108.1	I8 A9 I61 L65 A87 L89	I8-I63 CarbonylContact C-O 3.56Å; I8-I63 WeakPolarHBondContact CA-O 3.5Å; I8-I63 HydrophobicContact CG1-CB 4.25Å; I8-I63 HydrophobicContact CG1-CD1 4.44Å; I8-I63 HydrophobicContact CG2-CB 4.26Å; I8-I63 HydrophobicContact CG2-CG2 4.34Å; A9-I63 PolarHBondContact N-O 3.4Å; I61-I63 WeakPolarHBondContact CG2-O 3.18Å; I63-L65 HydrophobicContact CG2-CD2 4.06Å; I63-L65 HydrophobicContact CG2-CG 4.29Å; I63-A87 CarbonylContact C-O 3.48Å; I63-A87 WeakPolarHBondContact CA-O 3.41Å; I63-L89 HydrophobicContact CG2-CD1 3.85Å; I63-L89 HydrophobicContact CG2-CG 4.37Å
64	I	97.5	Very high	95.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.9	169.7	-59.7	171.5	0	0	0	106.8	A9 I11 F52 F55 L56 I61 P86 A87 V88 L89	A9-I64 HydrophobicContact CB-CG1 4.39Å; A9-I64 CarbonylContact O-C 3.43Å; A9-I64 WeakPolarHBondContact O-CA 3.33Å; I11-I64 HydrophobicContact CD1-CG2 4.49Å; F52-I64 HydrophobicContact CD2-CG2 4.42Å; F52-I64 HydrophobicContact CE2-CD1 4.31Å; F52-I64 HydrophobicContact CE2-CG2 4.46Å; F55-I64 HydrophobicContact CB-CD1 3.68Å; F55-I64 HydrophobicContact CB-CG1 4.2Å; L56-I64 HydrophobicContact CD2-CD1 3.73Å; L56-I64 HydrophobicContact CG-CD1 4.39Å; I61-I64 HydrophobicContact CG2-CG1 3.86Å; I64-P86 HydrophobicContact CD1-CB 4.18Å; I64-P86 HydrophobicContact CD1-CG 3.83Å; I64-P86 HydrophobicContact CG1-CB 4.2Å; I64-P86 HydrophobicContact CG1-CG 4.39Å; I64-A87 PolarHBondContact N-O 3.48Å; I64-V88 WeakPolarHBondContact O-CA 3.29Å; I64-L89 PolarHBondContact O-N 2.96Å
65	L	97.6	Very high	95	Very high	18 Å²	18	34.7 Å²	34.7	9%	0.094	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.1	170.5	-60.3	174.1	0	0	0	108	I8 A9 V10 I11 F20 I63 L89 I91	I8-L65 HydrophobicContact CG2-CD1 3.69Å; I8-L65 HydrophobicContact CG2-CG 3.86Å; A9-L65 PolarHBondContact O-N 3.38Å; V10-L65 CarbonylContact C-O 3.55Å; V10-L65 WeakPolarHBondContact CA-O 3.37Å; V10-L65 HydrophobicContact CG2-CB 4.4Å; V10-L65 HydrophobicContact CG2-CD1 4.3Å; I11-L65 PolarHBondContact N-O 3.42Å; F20-L65 HydrophobicContact CD1-CD1 3.99Å; F20-L65 HydrophobicContact CD2-CD1 4.43Å; F20-L65 HydrophobicContact CE1-CD1 3.53Å; F20-L65 HydrophobicContact CE2-CD1 4.05Å; F20-L65 HydrophobicContact CG-CD1 4.42Å; F20-L65 HydrophobicContact CZ-CD1 3.57Å; I63-L65 HydrophobicContact CG2-CD2 4.06Å; I63-L65 HydrophobicContact CG2-CG 4.29Å; L65-L89 HydrophobicContact CD2-CB 4.03Å; L65-L89 HydrophobicContact CD2-CD1 4.19Å; L65-I91 HydrophobicContact CB-CD1 4.32Å; L65-I91 HydrophobicContact CD2-CG2 4.27Å
66	I	97.8	Very high	94.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.8	177.5	-174.9	164.4	0	0	0	110.2	I11 Q68 I70 A71 I74 I78 V88 L89 E90 I91	I11-I66 HydrophobicContact CB-CB 4.39Å; I11-I66 HydrophobicContact CB-CD1 4.24Å; I11-I66 HydrophobicContact CB-CG1 4.05Å; I11-I66 HydrophobicContact CD1-CD1 4.45Å; I11-I66 HydrophobicContact CG2-CD1 4.19Å; I11-I66 HydrophobicContact CG2-CG1 4.23Å; I11-I66 VanDerWaalsContact O-CA 3.25Å; I11-I66 WeakPolarHBondContact O-CA 3.43Å; I66-Q68 PolarHBondContact O-N 2.98Å; I66-I70 HydrophobicContact CD1-CG2 4.19Å; I66-I70 HydrophobicContact CG1-CB 4.26Å; I66-I70 HydrophobicContact CG1-CG2 4.32Å; I66-A71 HydrophobicContact CD1-CB 4.1Å; I66-A71 HydrophobicContact CG1-CB 4.16Å; I66-A71 HydrophobicContact CG2-CB 4.06Å; I66-I74 HydrophobicContact CD1-CD1 4.07Å; I66-I78 HydrophobicContact CD1-CD1 4.31Å; I66-V88 HydrophobicContact CG2-CG1 4.03Å; I66-L89 PolarHBondContact N-O 2.57Å; I66-E90 HydrophobicContact CG2-CG 4.26Å; I66-E90 CarbonylContact O-C 3.56Å; I66-E90 WeakPolarHBondContact O-CA 3.34Å; I66-I91 WeakPolarHBondContact O-CG1 3.33Å; I66-I91 PolarHBondContact O-N 3.21Å
67	N	97.1	Very high	94.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	136.2	172.5	-67.1	121.7	0	0	0	109.8	I11 G12 D13 T16 F69 I70 A71 I91 P92 S93	I11-N67 PolarHBondContact O-N 3.3Å; I11-N67 VanDerWaalsContact O-N 3.11Å; G12-N67 WeakPolarHBondContact CA-OD1 3.43Å; D13-N67 PolarHBondContact N-OD1 2.89Å; T16-N67 PolarHBondContact OG1-ND2 3.43Å; T16-N67 PolarHBondContact OG1-OD1 2.85Å; N67-F69 VanDerWaalsContact C-N 3.27Å; N67-F69 HydrophobicContact CB-CD1 3.69Å; N67-F69 HydrophobicContact CB-CE1 3.53Å; N67-F69 HydrophobicContact CB-CZ 4.45Å; N67-F69 PolarHBondContact O-N 3.16Å; N67-I70 HydrophobicContact CB-CD1 3.94Å; N67-I70 HydrophobicContact CB-CG1 4.17Å; N67-I70 WeakPolarHBondContact O-CB 3.42Å; N67-I70 PolarHBondContact O-N 3.35Å; N67-A71 PolarHBondContact O-N 3.2Å; N67-I91 CarbonylContact C-O 3.52Å; N67-I91 VanDerWaalsContact CA-O 3.28Å; N67-I91 WeakPolarHBondContact CA-O 3.47Å; N67-P92 PolarHBondContact ND2-O 3.16Å; N67-S93 WeakPolarHBondContact ND2-CB 3.25Å
68	Q	95.3	Very high	94.9	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-38.3	-175.4	-178	175.2	65.2	0	0	113	I66 I70 A71 E72 E90 I91 D99	I66-Q68 PolarHBondContact O-N 2.98Å; Q68-I70 VanDerWaalsContact C-N 3.28Å; Q68-I70 PolarHBondContact O-N 3.3Å; Q68-A71 WeakPolarHBondContact O-CB 3.4Å; Q68-A71 PolarHBondContact O-N 3.45Å; Q68-E72 PolarHBondContact O-N 3.25Å; Q68-E72 VanDerWaalsContact O-N 3.11Å; Q68-E90 HydrophobicContact CB-CB 4.3Å; Q68-I91 PolarHBondContact N-O 3.49Å; Q68-D99 PolarHBondContact NE2-O 3.36Å
69	F	94.8	Very high	94.8	Very high	66 Å²	66	35.9 Å²	35.9	29%	0.289	18%	0.182	S	C	.	.	H	α-helix	trans	-66.1	-31.7	178.9	79.2	-91.2	0	0	0	112.5	D13 N67 H96	D13-F69 HydrophobicContact CB-CZ 4.27Å; N67-F69 VanDerWaalsContact C-N 3.27Å; N67-F69 HydrophobicContact CB-CD1 3.69Å; N67-F69 HydrophobicContact CB-CE1 3.53Å; N67-F69 HydrophobicContact CB-CZ 4.45Å; N67-F69 PolarHBondContact O-N 3.16Å; F69-H96 HydrophobicContact CB-CB 4.39Å; F69-H96 HydrophobicContact CD1-CB 4.08Å; F69-H96 AromaticContact CD1-CG 4Å; F69-H96 AromaticContact CD1-ND1 3.89Å
70	I	95.9	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-76	-40.8	175.2	-58.3	171.9	0	0	0	110	I11 V39 I48 I66 N67 Q68 E72 M73	I11-I70 HydrophobicContact CG2-CG2 4.07Å; V39-I70 HydrophobicContact CB-CD1 3.74Å; V39-I70 HydrophobicContact CG1-CD1 4.12Å; V39-I70 HydrophobicContact CG1-CG1 4.39Å; V39-I70 HydrophobicContact CG2-CD1 3.82Å; V39-I70 HydrophobicContact CG2-CG2 4.31Å; I48-I70 HydrophobicContact CD1-CG2 4.19Å; I48-I70 HydrophobicContact CG2-CG2 3.75Å; I66-I70 HydrophobicContact CD1-CG2 4.19Å; I66-I70 HydrophobicContact CG1-CB 4.26Å; I66-I70 HydrophobicContact CG1-CG2 4.32Å; N67-I70 HydrophobicContact CB-CD1 3.94Å; N67-I70 HydrophobicContact CB-CG1 4.17Å; N67-I70 WeakPolarHBondContact O-CB 3.42Å; N67-I70 PolarHBondContact O-N 3.35Å; Q68-I70 VanDerWaalsContact C-N 3.28Å; Q68-I70 PolarHBondContact O-N 3.3Å; I70-E72 PolarHBondContact O-N 2.96Å; I70-M73 WeakPolarHBondContact O-CB 3.45Å; I70-M73 PolarHBondContact O-N 3.21Å
71	A	95.7	Very high	94.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.7	-34.8	175.6	0	0	0	0	0	112.1	I66 N67 Q68 M73 I74 R75 I78 E90	I66-A71 HydrophobicContact CD1-CB 4.1Å; I66-A71 HydrophobicContact CG1-CB 4.16Å; I66-A71 HydrophobicContact CG2-CB 4.06Å; N67-A71 PolarHBondContact O-N 3.2Å; Q68-A71 WeakPolarHBondContact O-CB 3.4Å; Q68-A71 PolarHBondContact O-N 3.45Å; A71-M73 VanDerWaalsContact C-N 3.27Å; A71-M73 PolarHBondContact O-N 2.86Å; A71-I74 CarbonylContact O-C 3.41Å; A71-I74 PolarHBondContact O-N 2.94Å; A71-R75 WeakPolarHBondContact O-CA 3.28Å; A71-R75 PolarHBondContact O-N 3.11Å; A71-I78 HydrophobicContact CB-CD1 3.47Å; A71-I78 VanDerWaalsContact CB-CD1 3.47Å; A71-E90 HydrophobicContact CB-CG 4.03Å
72	E	93.9	Very high	94.6	Very high	93 Å²	93	37.4 Å²	37.4	44%	0.435	20%	0.198	S	C	.	.	H	α-helix	trans	-62.3	-32.8	176.5	-160.3	59.4	-157.3	0	0	113.2	Q68 I70 I74 R75	Q68-E72 PolarHBondContact O-N 3.25Å; Q68-E72 VanDerWaalsContact O-N 3.11Å; I70-E72 PolarHBondContact O-N 2.96Å; E72-I74 VanDerWaalsContact C-N 3.26Å; E72-I74 PolarHBondContact O-N 3Å; E72-R75 IonicContact OE2-CZ 3.77Å; E72-R75 IonicContact OE2-NE 2.98Å; E72-R75 PolarHBondContact OE2-NE 3.39Å; E72-R75 VanDerWaalsContact OE2-NE 3.12Å; E72-R75 IonicContact OE2-NH2 3.68Å; E72-R75 PolarHBondContact OE2-NH2 2.97Å
73	M	94.9	Very high	94.3	Very high	77 Å²	77	42.8 Å²	42.8	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-68.7	-25.8	179.7	-57.2	170.6	63.4	0	0	112.6	I45 I48 I70 A71	I45-M73 HydrophobicContact CD1-CE 4.47Å; I45-M73 HydrophobicContact CG1-CE 3.71Å; I48-M73 HydrophobicContact CD1-CE 3.88Å; I48-M73 HydrophobicContact CD1-SD 4.29Å; I70-M73 WeakPolarHBondContact O-CB 3.45Å; I70-M73 PolarHBondContact O-N 3.21Å; A71-M73 VanDerWaalsContact C-N 3.27Å; A71-M73 PolarHBondContact O-N 2.86Å
74	I	96.1	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	28.9	-177.9	59.9	155	0	0	0	112	I45 I48 E49 F52 I66 A71 E72 H76 A77 I78	I45-I74 HydrophobicContact CG2-CG2 4.04Å; I48-I74 HydrophobicContact CB-CG2 4.32Å; I48-I74 HydrophobicContact CG2-CD1 4.04Å; I48-I74 HydrophobicContact CG2-CG1 4.31Å; I48-I74 HydrophobicContact CG2-CG2 4Å; E49-I74 HydrophobicContact CB-CG2 3.98Å; F52-I74 HydrophobicContact CB-CD1 3.84Å; F52-I74 HydrophobicContact CD1-CD1 4.11Å; F52-I74 HydrophobicContact CD2-CD1 4.33Å; F52-I74 HydrophobicContact CG-CD1 3.84Å; I66-I74 HydrophobicContact CD1-CD1 4.07Å; A71-I74 CarbonylContact O-C 3.41Å; A71-I74 PolarHBondContact O-N 2.94Å; E72-I74 VanDerWaalsContact C-N 3.26Å; E72-I74 PolarHBondContact O-N 3Å; I74-H76 PolarHBondContact O-N 2.91Å; I74-H76 VanDerWaalsContact O-N 3.1Å; I74-A77 HydrophobicContact CB-CB 4.41Å; I74-A77 WeakPolarHBondContact O-CB 3.1Å; I74-A77 PolarHBondContact O-N 3.31Å; I74-I78 HydrophobicContact CD1-CD1 4.2Å; I74-I78 HydrophobicContact CD1-CG1 4.15Å; I74-I78 HydrophobicContact CG1-CD1 4.09Å; I74-I78 HydrophobicContact CG1-CG1 4.3Å; I74-I78 PolarHBondContact O-N 2.59Å
75	R	93.3	Very high	93.5	Very high	25 Å²	25	49.4 Å²	49.4	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-53.3	-36.9	-173.9	-175.6	62	65.5	-174.1	-0	112.6	A71 E72 A77 I78 D79 E90 K102	A71-R75 WeakPolarHBondContact O-CA 3.28Å; A71-R75 PolarHBondContact O-N 3.11Å; E72-R75 IonicContact OE2-CZ 3.77Å; E72-R75 IonicContact OE2-NE 2.98Å; E72-R75 PolarHBondContact OE2-NE 3.39Å; E72-R75 VanDerWaalsContact OE2-NE 3.12Å; E72-R75 IonicContact OE2-NH2 3.68Å; E72-R75 PolarHBondContact OE2-NH2 2.97Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.31Å; R75-I78 PolarHBondContact O-N 2.97Å; R75-D79 WeakPolarHBondContact O-CB 3.13Å; R75-D79 PolarHBondContact O-N 2.82Å; R75-E90 IonicContact CZ-OE1 2.95Å; R75-E90 IonicContact CZ-OE2 2.78Å; R75-E90 VanDerWaalsContact NH1-CD 3.27Å; R75-E90 IonicContact NH1-OE1 3.35Å; R75-E90 PolarHBondContact NH1-OE1 3.3Å; R75-E90 IonicContact NH1-OE2 3.63Å; R75-E90 PolarHBondContact NH1-OE2 2.71Å; R75-E90 IonicContact NH2-OE1 3.21Å; R75-E90 IonicContact NH2-OE2 3.12Å; R75-E90 PolarHBondContact NH2-OE2 2.95Å; R75-K102 VanDerWaalsContact CZ-O 3.26Å; R75-K102 PolarHBondContact NH1-O 3.29Å; R75-K102 PolarHBondContact NH2-O 3.36Å; R75-K102 VanDerWaalsContact NH2-O 3.16Å
76	H	93.6	Very high	93.3	Very high	106 Å²	106	48.9 Å²	48.9	49%	0.491	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-39.9	176	60.2	-73	0	0	0	112.8	E49 I74 A80	E49-H76 VanDerWaalsContact CD-NE2 3.35Å; E49-H76 IonicContact OE1-NE2 3.49Å; E49-H76 IonicContact OE2-CE1 3.91Å; E49-H76 PolarHBondContact OE2-CE1 2.87Å; E49-H76 IonicContact OE2-NE2 2.76Å; E49-H76 PolarHBondContact OE2-NE2 3.05Å; I74-H76 PolarHBondContact O-N 2.91Å; I74-H76 VanDerWaalsContact O-N 3.1Å; H76-A80 VanDerWaalsContact O-CB 3.29Å; H76-A80 WeakPolarHBondContact O-CB 2.99Å; H76-A80 PolarHBondContact O-N 2.87Å; H76-A80 VanDerWaalsContact O-N 3.16Å
77	A	94.7	Very high	93.2	Very high	10 Å²	10	50.7 Å²	50.7	8%	0.083	28%	0.275	C	S	.	.	H	α-helix	trans	-72.6	-37.3	179.9	0	0	0	0	0	111.6	E49 F52 I74 R75	E49-A77 HydrophobicContact CG-CB 4.01Å; F52-A77 HydrophobicContact CD1-CB 4.14Å; F52-A77 HydrophobicContact CE1-CB 4.28Å; I74-A77 HydrophobicContact CB-CB 4.41Å; I74-A77 WeakPolarHBondContact O-CB 3.1Å; I74-A77 PolarHBondContact O-N 3.31Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.31Å
78	I	94.1	Very high	93.1	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-69.3	-47.7	177	-63	174.2	0	0	0	110.7	F52 I66 A71 I74 R75 A80 H81 V88	F52-I78 HydrophobicContact CE1-CG1 4.04Å; F52-I78 HydrophobicContact CE2-CG1 4.21Å; F52-I78 HydrophobicContact CZ-CB 4.42Å; F52-I78 HydrophobicContact CZ-CG1 3.78Å; I66-I78 HydrophobicContact CD1-CD1 4.31Å; A71-I78 HydrophobicContact CB-CD1 3.47Å; A71-I78 VanDerWaalsContact CB-CD1 3.47Å; I74-I78 HydrophobicContact CD1-CD1 4.2Å; I74-I78 HydrophobicContact CD1-CG1 4.15Å; I74-I78 HydrophobicContact CG1-CD1 4.09Å; I74-I78 HydrophobicContact CG1-CG1 4.3Å; I74-I78 PolarHBondContact O-N 2.59Å; R75-I78 PolarHBondContact O-N 2.97Å; I78-A80 PolarHBondContact O-N 3.14Å; I78-H81 WeakPolarHBondContact O-CB 3.47Å; I78-H81 PolarHBondContact O-N 3.45Å; I78-V88 HydrophobicContact CG2-CG1 4.3Å
79	D	90.4	Very high	93.1	Very high	52 Å²	52	54.1 Å²	54.1	28%	0.278	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-29.5	-179	-78.6	-6.6	0	0	0	111.6	R75 H81 R107 R108	R75-D79 WeakPolarHBondContact O-CB 3.13Å; R75-D79 PolarHBondContact O-N 2.82Å; D79-H81 VanDerWaalsContact C-N 3.26Å; D79-H81 PolarHBondContact O-N 3.48Å; D79-R107 IonicContact OD2-NH1 3.54Å; D79-R107 PolarHBondContact OD2-NH1 3.08Å; D79-R108 PolarHBondContact O-NH2 2.81Å; D79-R108 VanDerWaalsContact O-NH2 3.08Å
80	A	92.1	Very high	93.1	Very high	78 Å²	78	51.7 Å²	51.7	65%	0.645	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.1	173.1	0	0	0	0	0	113.7	H76 I78 M82	H76-A80 VanDerWaalsContact O-CB 3.29Å; H76-A80 WeakPolarHBondContact O-CB 2.99Å; H76-A80 PolarHBondContact O-N 2.87Å; H76-A80 VanDerWaalsContact O-N 3.16Å; I78-A80 PolarHBondContact O-N 3.14Å; A80-M82 PolarHBondContact O-N 3.16Å
81	H	92.2	Very high	93.1	Very high	20 Å²	20	53.2 Å²	53.2	9%	0.093	29%	0.291	C	S	.	.			trans	-80.2	111.7	175.4	-175.8	58	0	0	0	110.9	L56 I78 D79 Q83 P86 R108	L56-H81 HydrophobicContact CD1-CB 4.2Å; I78-H81 WeakPolarHBondContact O-CB 3.47Å; I78-H81 PolarHBondContact O-N 3.45Å; D79-H81 VanDerWaalsContact C-N 3.26Å; D79-H81 PolarHBondContact O-N 3.48Å; H81-Q83 PolarHBondContact NE2-O 2.89Å; H81-P86 PolarHBondContact NE2-O 2.86Å; H81-R108 PolarHBondContact O-NH1 3.18Å; H81-R108 PolarHBondContact O-NH2 2.75Å
82	M	87.9	Confident	93.1	Very high	143 Å²	143	56.4 Å²	56.4	70%	0.704	31%	0.312	S	S	*	.			trans	-111.8	-6.3	-177.2	-63.9	-61.6	-67.3	0	0	113.4	A80 R108	A80-M82 PolarHBondContact O-N 3.16Å; M82-R108 PolarHBondContact SD-NH2 3.2Å; M82-R108 VanDerWaalsContact SD-NH2 3.4Å
83	Q	89.1	Confident	93.1	Very high	137 Å²	137	52.7 Å²	52.7	64%	0.64	30%	0.296	S	S	*	.			trans	-77.9	145.6	179.2	-58.1	178.6	-41.1	0	0	110.3	H81 I85	H81-Q83 PolarHBondContact NE2-O 2.89Å; Q83-I85 VanDerWaalsContact C-N 3.29Å; Q83-I85 PolarHBondContact O-N 3.1Å
84	S	86.9	Confident	92.9	Very high	105 Å²	105	56.7 Å²	56.7	73%	0.734	31%	0.311	S	S	*	.	S	Bend	trans	-71.4	-23.9	178.5	51.1	0	0	0	0	113.6
85	I	90.3	Very high	92.5	Very high	91 Å²	91	64.1 Å²	64.1	47%	0.467	35%	0.346	S	S	.	.	S	Bend	trans	-132.7	129.8	-180	-58.1	178.3	0	0	0	108.5	Q83	Q83-I85 VanDerWaalsContact C-N 3.29Å; Q83-I85 PolarHBondContact O-N 3.1Å
86	P	93.5	Very high	92.4	Very high	6 Å²	6	67 Å²	67	4%	0.039	36%	0.36	C	S	.	.	S	Bend	cis	-69.9	145.5	-3.1	29.7	-35.2	0	0	0	112.5	L56 I61 A62 I64 H81	L56-P86 HydrophobicContact CD2-CG 3.64Å; I61-P86 HydrophobicContact CG2-CB 4.03Å; A62-P86 CarbonylContact O-C 3.52Å; A62-P86 VanDerWaalsContact O-CA 3.28Å; A62-P86 WeakPolarHBondContact O-CA 3.31Å; I64-P86 HydrophobicContact CD1-CB 4.18Å; I64-P86 HydrophobicContact CD1-CG 3.83Å; I64-P86 HydrophobicContact CG1-CB 4.2Å; I64-P86 HydrophobicContact CG1-CG 4.39Å; H81-P86 PolarHBondContact NE2-O 2.86Å
87	A	94.6	Very high	92.3	Very high	38 Å²	38	67.2 Å²	67.2	31%	0.314	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.3	173.6	0	0	0	0	0	109.5	A62 I63 I64	A62-A87 PolarHBondContact O-N 3.07Å; I63-A87 CarbonylContact C-O 3.48Å; I63-A87 WeakPolarHBondContact CA-O 3.41Å; I64-A87 PolarHBondContact N-O 3.48Å
88	V	95.6	Very high	92	Very high	15 Å²	15	71.1 Å²	71.1	9%	0.091	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.8	178.2	-176.9	0	0	0	0	108	F52 L56 I64 I66 I78	F52-V88 HydrophobicContact CE2-CG1 4.04Å; F52-V88 HydrophobicContact CE2-CG2 3.86Å; F52-V88 HydrophobicContact CZ-CG1 4.46Å; F52-V88 HydrophobicContact CZ-CG2 3.95Å; L56-V88 HydrophobicContact CD2-CG2 4.38Å; I64-V88 WeakPolarHBondContact O-CA 3.29Å; I66-V88 HydrophobicContact CG2-CG1 4.03Å; I78-V88 HydrophobicContact CG2-CG1 4.3Å
89	L	94.8	Very high	91.7	Very high	71 Å²	71	73.6 Å²	73.6	37%	0.372	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.5	-177.6	-64.9	176.6	0	0	0	110.1	I63 I64 L65 I66 I105	I63-L89 HydrophobicContact CG2-CD1 3.85Å; I63-L89 HydrophobicContact CG2-CG 4.37Å; I64-L89 PolarHBondContact O-N 2.96Å; L65-L89 HydrophobicContact CD2-CB 4.03Å; L65-L89 HydrophobicContact CD2-CD1 4.19Å; I66-L89 PolarHBondContact N-O 2.57Å; L89-I105 HydrophobicContact CD2-CD1 4.02Å
90	E	94.9	Very high	91.3	Very high	14 Å²	14	73.6 Å²	73.6	7%	0.065	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.8	176.2	-64.1	174.9	-130.9	0	0	109.5	I66 Q68 A71 R75 S104	I66-E90 HydrophobicContact CG2-CG 4.26Å; I66-E90 CarbonylContact O-C 3.56Å; I66-E90 WeakPolarHBondContact O-CA 3.34Å; Q68-E90 HydrophobicContact CB-CB 4.3Å; A71-E90 HydrophobicContact CB-CG 4.03Å; R75-E90 IonicContact CZ-OE1 2.95Å; R75-E90 IonicContact CZ-OE2 2.78Å; R75-E90 VanDerWaalsContact NH1-CD 3.27Å; R75-E90 IonicContact NH1-OE1 3.35Å; R75-E90 PolarHBondContact NH1-OE1 3.3Å; R75-E90 IonicContact NH1-OE2 3.63Å; R75-E90 PolarHBondContact NH1-OE2 2.71Å; R75-E90 IonicContact NH2-OE1 3.21Å; R75-E90 IonicContact NH2-OE2 3.12Å; R75-E90 PolarHBondContact NH2-OE2 2.95Å; E90-S104 PolarHBondContact OE1-N 3.33Å; E90-S104 VanDerWaalsContact OE1-N 3.07Å; E90-S104 PolarHBondContact OE1-OG 3.45Å
91	I	95.5	Very high	90.7	Very high	32 Å²	32	73 Å²	73	16%	0.164	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.5	-179.8	57.9	168.3	0	0	0	111.3	T16 F20 L65 I66 N67 Q68	T16-I91 HydrophobicContact CG2-CD1 3.65Å; F20-I91 HydrophobicContact CE2-CD1 3.46Å; F20-I91 VanDerWaalsContact CE2-CD1 3.46Å; F20-I91 HydrophobicContact CZ-CD1 3.91Å; L65-I91 HydrophobicContact CB-CD1 4.32Å; L65-I91 HydrophobicContact CD2-CG2 4.27Å; I66-I91 WeakPolarHBondContact O-CG1 3.33Å; I66-I91 PolarHBondContact O-N 3.21Å; N67-I91 CarbonylContact C-O 3.52Å; N67-I91 VanDerWaalsContact CA-O 3.28Å; N67-I91 WeakPolarHBondContact CA-O 3.47Å; Q68-I91 PolarHBondContact N-O 3.49Å
92	P	95.7	Very high	90	Very high	67 Å²	67	76.9 Å²	76.9	44%	0.435	41%	0.413	S	S	.	.			trans	-63.4	166.4	170.6	28.1	-34.8	0	0	0	111.1	N67	N67-P92 PolarHBondContact ND2-O 3.16Å
93	S	94	Very high	89.5	Confident	15 Å²	15	70.5 Å²	70.5	11%	0.105	38%	0.382	C	S	.	.			trans	-117	173.9	164.9	106.4	0	0	0	0	110	D13 N67 E95 H96	D13-S93 WeakPolarHBondContact OD2-CB 3.5Å; D13-S93 PolarHBondContact OD2-OG 2.76Å; N67-S93 WeakPolarHBondContact ND2-CB 3.25Å; S93-E95 VanDerWaalsContact C-N 3.25Å; S93-E95 PolarHBondContact O-N 2.78Å; S93-E95 PolarHBondContact OG-N 3.12Å; S93-H96 PolarHBondContact N-O 3.36Å; S93-H96 PolarHBondContact O-N 3.34Å; S93-H96 PolarHBondContact OG-N 3.04Å; S93-H96 PolarHBondContact OG-ND1 3.24Å
94	K	90.8	Very high	88.7	Confident	162 Å²	162	64.3 Å²	64.3	70%	0.704	35%	0.353	S	S	*	.	S	Bend	trans	-58.1	-38.1	179.7	-178	-173.7	-177.6	-174	0	112.8	D15	D15-K94 HydrophobicContact CB-CD 4.49Å; D15-K94 WeakPolarHBondContact OD2-CD 3.44Å; D15-K94 IonicContact OD2-NZ 2.71Å; D15-K94 PolarHBondContact OD2-NZ 3.19Å
95	E	89.6	Confident	88.1	Confident	156 Å²	156	63.1 Å²	63.1	73%	0.729	34%	0.338	S	S	*	.	S	Bend	trans	-96.9	-22.8	-178	-59.9	-166.5	145.5	0	0	112.9	S93	S93-E95 VanDerWaalsContact C-N 3.25Å; S93-E95 PolarHBondContact O-N 2.78Å; S93-E95 PolarHBondContact OG-N 3.12Å
96	H	90.5	Very high	87.3	Confident	84 Å²	84	61.1 Å²	61.1	39%	0.389	33%	0.328	S	S	.	.	S	Bend	trans	-116.2	101.8	-172.2	-59.9	88.2	0	0	0	110.8	F69 S93	F69-H96 HydrophobicContact CB-CB 4.39Å; F69-H96 HydrophobicContact CD1-CB 4.08Å; F69-H96 AromaticContact CD1-CG 4Å; F69-H96 AromaticContact CD1-ND1 3.89Å; S93-H96 PolarHBondContact N-O 3.36Å; S93-H96 PolarHBondContact O-N 3.34Å; S93-H96 PolarHBondContact OG-N 3.04Å; S93-H96 PolarHBondContact OG-ND1 3.24Å
97	P	91.3	Very high	86.2	Confident	111 Å²	111	67.1 Å²	67.1	72%	0.721	35%	0.35	S	S	*	.			trans	-66.7	156	177.8	29.2	-34.8	0	0	0	111.3
98	Y	89.1	Confident	85.1	Confident	92 Å²	92	71.1 Å²	71.1	36%	0.361	36%	0.356	S	S	.	.			trans	-72.1	134	179.9	178.7	-97.9	0	0	0	112	A100 D103 L106	Y98-A100 HydrophobicContact CE1-CB 3.92Å; Y98-D103 HydrophobicContact CE2-CB 4.37Å; Y98-D103 VanDerWaalsContact OH-CB 3.28Å; Y98-D103 WeakPolarHBondContact OH-CB 3.45Å; Y98-D103 VanDerWaalsContact OH-CG 3.22Å; Y98-D103 PolarHBondContact OH-OD2 3.47Å; Y98-L106 WeakPolarHBondContact OH-CD1 3.45Å
99	D	87.9	Confident	83.8	Confident	57 Å²	57	71.4 Å²	71.4	31%	0.305	36%	0.36	S	S	.	.			trans	-116.5	105.6	175.1	-178	-9.9	0	0	0	110.4	Q68 S101 K102	Q68-D99 PolarHBondContact NE2-O 3.36Å; D99-S101 VanDerWaalsContact CG-OG 3.26Å; D99-S101 PolarHBondContact O-N 3.11Å; D99-S101 VanDerWaalsContact O-N 3.1Å; D99-S101 VanDerWaalsContact OD1-CB 3.28Å; D99-S101 WeakPolarHBondContact OD1-CB 3.38Å; D99-S101 PolarHBondContact OD1-N 3.29Å; D99-S101 PolarHBondContact OD1-OG 3.39Å; D99-S101 PolarHBondContact OD2-OG 2.85Å; D99-K102 HydrophobicContact CB-CD 4.22Å; D99-K102 HydrophobicContact CB-CG 4.41Å; D99-K102 PolarHBondContact O-N 2.99Å; D99-K102 WeakPolarHBondContact OD2-CE 3.34Å; D99-K102 IonicContact OD2-NZ 2.62Å
100	A	82.1	Confident	82.3	Confident	51 Å²	51	74.8 Å²	74.8	42%	0.421	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.2	-179.5	0	0	0	0	0	113.9	Y98 K102 L106	Y98-A100 HydrophobicContact CE1-CB 3.92Å; A100-K102 VanDerWaalsContact C-N 3.29Å; A100-K102 PolarHBondContact O-N 3.21Å; A100-L106 HydrophobicContact CB-CD1 3.96Å
101	S	78.3	Confident	80.6	Confident	67 Å²	67	78 Å²	78	47%	0.469	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.7	-179.2	74.3	0	0	0	0	113.2	D99	D99-S101 VanDerWaalsContact CG-OG 3.26Å; D99-S101 PolarHBondContact O-N 3.11Å; D99-S101 VanDerWaalsContact O-N 3.1Å; D99-S101 VanDerWaalsContact OD1-CB 3.28Å; D99-S101 WeakPolarHBondContact OD1-CB 3.38Å; D99-S101 PolarHBondContact OD1-N 3.29Å; D99-S101 PolarHBondContact OD1-OG 3.39Å; D99-S101 PolarHBondContact OD2-OG 2.85Å
102	K	77.6	Confident	78.8	Confident	100 Å²	100	83.9 Å²	83.9	44%	0.435	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-13.8	-175.9	-63.7	179.9	-177.1	168.3	0	113.7	R75 D99 A100 S104	R75-K102 VanDerWaalsContact CZ-O 3.26Å; R75-K102 PolarHBondContact NH1-O 3.29Å; R75-K102 PolarHBondContact NH2-O 3.36Å; R75-K102 VanDerWaalsContact NH2-O 3.16Å; D99-K102 HydrophobicContact CB-CD 4.22Å; D99-K102 HydrophobicContact CB-CG 4.41Å; D99-K102 PolarHBondContact O-N 2.99Å; D99-K102 WeakPolarHBondContact OD2-CE 3.34Å; D99-K102 IonicContact OD2-NZ 2.62Å; A100-K102 VanDerWaalsContact C-N 3.29Å; A100-K102 PolarHBondContact O-N 3.21Å; K102-S104 PolarHBondContact O-N 3.42Å
103	D	77.3	Confident	77	Confident	10 Å²	10	86 Å²	86	5%	0.053	44%	0.44	C	S	.	.			trans	-70.3	129.4	-175.6	-173.5	-52.1	0	0	0	112.2	Y98 I105 L106 R107	Y98-D103 HydrophobicContact CE2-CB 4.37Å; Y98-D103 VanDerWaalsContact OH-CB 3.28Å; Y98-D103 WeakPolarHBondContact OH-CB 3.45Å; Y98-D103 VanDerWaalsContact OH-CG 3.22Å; Y98-D103 PolarHBondContact OH-OD2 3.47Å; D103-I105 PolarHBondContact O-N 2.8Å; D103-I105 WeakPolarHBondContact OD1-CA 3.45Å; D103-I105 WeakPolarHBondContact OD1-CB 3.33Å; D103-I105 PolarHBondContact OD1-N 3.08Å; D103-L106 HydrophobicContact CB-CB 4.18Å; D103-L106 HydrophobicContact CB-CD1 3.92Å; D103-L106 PolarHBondContact O-N 2.96Å; D103-L106 PolarHBondContact OD1-N 2.98Å; D103-R107 WeakPolarHBondContact O-CB 3.3Å; D103-R107 VanDerWaalsContact O-CG 3.3Å; D103-R107 WeakPolarHBondContact O-CG 3.44Å; D103-R107 PolarHBondContact O-N 3.48Å
104	S	72.3	Confident	75.1	Confident	6 Å²	6	88.6 Å²	88.6	4%	0.042	46%	0.458	C	S	.	.	H	α-helix	trans	-63.8	-36.5	-178.6	53.6	0	0	0	0	113.5	E90 K102 R108	E90-S104 PolarHBondContact OE1-N 3.33Å; E90-S104 VanDerWaalsContact OE1-N 3.07Å; E90-S104 PolarHBondContact OE1-OG 3.45Å; K102-S104 PolarHBondContact O-N 3.42Å; S104-R108 VanDerWaalsContact O-CG 3.31Å; S104-R108 WeakPolarHBondContact O-CG 3.28Å; S104-R108 PolarHBondContact O-N 3.45Å; S104-R108 VanDerWaalsContact O-N 3.16Å
105	I	75.3	Confident	73.3	Confident	80 Å²	80	85.2 Å²	85.2	41%	0.41	46%	0.46	S	S	.	.	H	α-helix	trans	-70.6	-47	178.7	-61.6	175.5	0	0	0	109.8	L89 D103 R107 R108 A109	L89-I105 HydrophobicContact CD2-CD1 4.02Å; D103-I105 PolarHBondContact O-N 2.8Å; D103-I105 WeakPolarHBondContact OD1-CA 3.45Å; D103-I105 WeakPolarHBondContact OD1-CB 3.33Å; D103-I105 PolarHBondContact OD1-N 3.08Å; I105-R107 VanDerWaalsContact C-N 3.33Å; I105-R107 PolarHBondContact O-N 2.83Å; I105-R108 WeakPolarHBondContact O-CB 3.21Å; I105-R108 PolarHBondContact O-N 3.17Å; I105-R108 VanDerWaalsContact O-N 3.14Å; I105-A109 WeakPolarHBondContact O-CB 3.46Å; I105-A109 PolarHBondContact O-N 3.43Å
106	L	72.6	Confident	71.8	Confident	49 Å²	49	84.9 Å²	84.9	26%	0.257	46%	0.459	S	S	.	.	H	α-helix	trans	-65.4	-36.5	178.1	-81.3	154.6	0	0	0	111.8	Y98 A100 D103 R108 A109 K110 F118	Y98-L106 WeakPolarHBondContact OH-CD1 3.45Å; A100-L106 HydrophobicContact CB-CD1 3.96Å; D103-L106 HydrophobicContact CB-CB 4.18Å; D103-L106 HydrophobicContact CB-CD1 3.92Å; D103-L106 PolarHBondContact O-N 2.96Å; D103-L106 PolarHBondContact OD1-N 2.98Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.48Å; L106-A109 CarbonylContact O-C 3.53Å; L106-A109 PolarHBondContact O-N 3.1Å; L106-K110 WeakPolarHBondContact O-CG 3.43Å; L106-K110 PolarHBondContact O-N 3.06Å; L106-F118 HydrophobicContact CD2-CZ 4.34Å
107	R	70.8	Confident	70.1	Confident	133 Å²	133	86 Å²	86	50%	0.502	47%	0.468	S	S	.	.	H	α-helix	trans	-59.7	-40.3	171.9	-78.2	175.9	67.7	-149	-1.5	112.1	D79 D103 I105	D79-R107 IonicContact OD2-NH1 3.54Å; D79-R107 PolarHBondContact OD2-NH1 3.08Å; D103-R107 WeakPolarHBondContact O-CB 3.3Å; D103-R107 VanDerWaalsContact O-CG 3.3Å; D103-R107 WeakPolarHBondContact O-CG 3.44Å; D103-R107 PolarHBondContact O-N 3.48Å; I105-R107 VanDerWaalsContact C-N 3.33Å; I105-R107 PolarHBondContact O-N 2.83Å
108	R	71.7	Confident	68.4	Low	121 Å²	121	88 Å²	88	46%	0.457	47%	0.465	S	S	.	.	H	α-helix	trans	-69.3	-36.2	174.6	-69.3	170.1	-178	-176.8	1.2	111.6	D79 H81 M82 S104 I105 L106	D79-R108 PolarHBondContact O-NH2 2.81Å; D79-R108 VanDerWaalsContact O-NH2 3.08Å; H81-R108 PolarHBondContact O-NH1 3.18Å; H81-R108 PolarHBondContact O-NH2 2.75Å; M82-R108 PolarHBondContact SD-NH2 3.2Å; M82-R108 VanDerWaalsContact SD-NH2 3.4Å; S104-R108 VanDerWaalsContact O-CG 3.31Å; S104-R108 WeakPolarHBondContact O-CG 3.28Å; S104-R108 PolarHBondContact O-N 3.45Å; S104-R108 VanDerWaalsContact O-N 3.16Å; I105-R108 WeakPolarHBondContact O-CB 3.21Å; I105-R108 PolarHBondContact O-N 3.17Å; I105-R108 VanDerWaalsContact O-N 3.14Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.48Å
109	A	68.9	Low	66.3	Low	21 Å²	21	97.3 Å²	97.3	17%	0.174	50%	0.5	C	S	.	.	H	α-helix	trans	-82	-15.1	-177.8	0	0	0	0	0	114.4	I105 L106 G111 M112 F113	I105-A109 WeakPolarHBondContact O-CB 3.46Å; I105-A109 PolarHBondContact O-N 3.43Å; L106-A109 CarbonylContact O-C 3.53Å; L106-A109 PolarHBondContact O-N 3.1Å; A109-G111 PolarHBondContact O-N 3.17Å; A109-M112 WeakPolarHBondContact O-CA 3.28Å; A109-M112 WeakPolarHBondContact O-CB 3.16Å; A109-M112 PolarHBondContact O-N 2.84Å; A109-F113 HydrophobicContact CB-CD2 3.88Å; A109-F113 HydrophobicContact CB-CE2 4.12Å; A109-F113 PolarHBondContact O-N 3.02Å; A109-F113 VanDerWaalsContact O-N 3.08Å
110	K	61.5	Low	65.2	Low	143 Å²	143	99.4 Å²	99.4	62%	0.622	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.8	179.9	-98.4	-177.3	178	-179.3	0	114.9	L106	L106-K110 WeakPolarHBondContact O-CG 3.43Å; L106-K110 PolarHBondContact O-N 3.06Å
111	G	60.1	Low	64.3	Low	81 Å²	81	101.9 Å²	101.9	84%	0.835	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.2	171.9	0	0	0	0	0	114.4	A109	A109-G111 PolarHBondContact O-N 3.17Å
112	M	58.4	Low	63.5	Low	156 Å²	156	103.8 Å²	103.8	77%	0.768	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-25.4	-174.6	-63.1	-179.8	67.1	0	0	113.4	A109	A109-M112 WeakPolarHBondContact O-CA 3.28Å; A109-M112 WeakPolarHBondContact O-CB 3.16Å; A109-M112 PolarHBondContact O-N 2.84Å
113	F	56.4	Low	62.7	Low	111 Å²	111	104.1 Å²	104.1	49%	0.487	52%	0.522	S	S	.	.	S	Bend	trans	-117.5	127.4	179	-63.7	-82.9	0	0	0	110	A109 F118	A109-F113 HydrophobicContact CB-CD2 3.88Å; A109-F113 HydrophobicContact CB-CE2 4.12Å; A109-F113 PolarHBondContact O-N 3.02Å; A109-F113 VanDerWaalsContact O-N 3.08Å; F113-F118 HydrophobicContact CB-CE2 4.21Å
114	S	53.8	Low	61.8	Low	69 Å²	69	109.9 Å²	109.9	48%	0.483	55%	0.551	S	S	.	*			trans	-80	150.4	173.9	-157.5	0	0	0	0	108.4	E116 D117	S114-E116 PolarHBondContact O-N 3.35Å; S114-D117 PolarHBondContact N-OD2 3.3Å; S114-D117 VanDerWaalsContact N-OD2 3.17Å; S114-D117 PolarHBondContact O-N 2.62Å
115	A	54.8	Low	61.1	Low	91 Å²	91	116.9 Å²	116.9	75%	0.752	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-4.9	-179.7	0	0	0	0	0	114.2
116	E	57	Low	60	Low	150 Å²	150	119.5 Å²	119.5	70%	0.701	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-16.3	176.4	-64.5	-179.9	98.4	0	0	113.6	S114 F118	S114-E116 PolarHBondContact O-N 3.35Å; E116-F118 VanDerWaalsContact C-N 3.26Å; E116-F118 PolarHBondContact O-N 2.93Å
117	D	55	Low	59.1	Low	106 Å²	106	124.9 Å²	124.9	57%	0.567	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-6.6	-178.7	-64.9	-52.3	0	0	0	113.8	S114	S114-D117 PolarHBondContact N-OD2 3.3Å; S114-D117 VanDerWaalsContact N-OD2 3.17Å; S114-D117 PolarHBondContact O-N 2.62Å
118	F	55.5	Low	58.1	Low	153 Å²	153	124.3 Å²	124.3	67%	0.671	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	14	-178.2	-66.9	-82.4	0	0	0	113.6	L106 F113 E116	L106-F118 HydrophobicContact CD2-CZ 4.34Å; F113-F118 HydrophobicContact CB-CE2 4.21Å; E116-F118 VanDerWaalsContact C-N 3.26Å; E116-F118 PolarHBondContact O-N 2.93Å
119	R	44.1	Very low	56.9	Low	289 Å²	289	124.5 Å²	124.5	100%	1.091	65%	0.65	S	S	*	*			trans	-96	0	174	-93.3	-173.2	173	158.5	-0.4	112.8

Retrieved 119 of 119 residues in 179.4 ms (Link to these results)

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