A0A146MFR6_SCHMA Loading...

V-type proton ATPase subunit

Subunit of the V0 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 A0A146MFR6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 84 aa.

						>A0A146MFR6_SCHMA|A0A146MFR6
MNESVGFYIPLGVVSAFWFLVGFLGPVFVPKGPNKMLLSVSIVLTAVCCYLFWIGFYLAQYHPFFGPSLKTGSIRIIQQQWTRK
					

Structure Viewer

Loading PAE data...

(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	53.4	Low	84.2	Confident	186 Å²	186	87 Å²	87	92%	0.916	46%	0.459	S	S	*	.				0	135.6	0	-72.2	162.8	58.2	0	0	106.3	E3 I9	M1-E3 PolarHBondContact O-N 3.45Å; M1-E3 VanDerWaalsContact O-N 3.15Å; M1-I9 HydrophobicContact CE-CD1 4.49Å
2	N	72.7	Confident	85.2	Confident	120 Å²	120	83.3 Å²	83.3	64%	0.642	46%	0.457	S	S	*	.			trans	-56.8	123.9	178.1	-59.2	-15.6	0	0	0	107.7	S4 V5	N2-S4 PolarHBondContact O-N 3.42Å; N2-V5 HydrophobicContact CB-CB 4.48Å; N2-V5 HydrophobicContact CB-CG2 3.91Å; N2-V5 WeakPolarHBondContact O-CA 3.48Å; N2-V5 WeakPolarHBondContact O-CB 3.42Å; N2-V5 PolarHBondContact O-N 3.02Å
3	E	71.9	Confident	86.1	Confident	177 Å²	177	84.2 Å²	84.2	83%	0.827	47%	0.467	S	S	*	.	H	α-helix	trans	-48.8	-33	-177	-64.5	-62.9	141.5	0	0	112.1	M1 G6	M1-E3 PolarHBondContact O-N 3.45Å; M1-E3 VanDerWaalsContact O-N 3.15Å; E3-G6 PolarHBondContact O-N 3.1Å
4	S	79	Confident	86.9	Confident	51 Å²	51	80.4 Å²	80.4	36%	0.357	45%	0.447	S	S	.	.	H	α-helix	trans	-61.1	-41.6	173.3	53.6	0	0	0	0	114	N2 G6 F7 Y8	N2-S4 PolarHBondContact O-N 3.42Å; S4-G6 VanDerWaalsContact C-N 3.34Å; S4-G6 PolarHBondContact O-N 2.98Å; S4-F7 WeakPolarHBondContact O-CB 3.47Å; S4-F7 PolarHBondContact O-N 2.91Å; S4-Y8 WeakPolarHBondContact O-CD2 3.32Å; S4-Y8 PolarHBondContact O-N 3.25Å
5	V	88.2	Confident	87.6	Confident	62 Å²	62	76.9 Å²	76.9	38%	0.376	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-40.1	-178.9	173.7	0	0	0	0	110.8	N2 F7 Y8 I9	N2-V5 HydrophobicContact CB-CB 4.48Å; N2-V5 HydrophobicContact CB-CG2 3.91Å; N2-V5 WeakPolarHBondContact O-CA 3.48Å; N2-V5 WeakPolarHBondContact O-CB 3.42Å; N2-V5 PolarHBondContact O-N 3.02Å; V5-F7 PolarHBondContact O-N 3.48Å; V5-Y8 PolarHBondContact O-N 3.46Å; V5-I9 HydrophobicContact CG1-CD1 3.72Å; V5-I9 HydrophobicContact CG1-CG1 4.15Å; V5-I9 WeakPolarHBondContact O-CD1 3.31Å; V5-I9 VanDerWaalsContact O-CG1 3.24Å; V5-I9 WeakPolarHBondContact O-CG1 3.49Å; V5-I9 PolarHBondContact O-N 3.16Å
6	G	89.7	Confident	88.2	Confident	39 Å²	39	75.8 Å²	75.8	40%	0.402	43%	0.433	S	S	.	.	H	α-helix	trans	-60.1	-31.2	177.1	0	0	0	0	0	113.1	E3 S4 P10	E3-G6 PolarHBondContact O-N 3.1Å; S4-G6 VanDerWaalsContact C-N 3.34Å; S4-G6 PolarHBondContact O-N 2.98Å; G6-P10 WeakPolarHBondContact O-CD 3.39Å
7	F	91.6	Very high	88.8	Confident	25 Å²	25	78.1 Å²	78.1	11%	0.11	44%	0.438	C	S	.	.	H	α-helix	trans	-78.2	-42.4	175	179.2	-99.7	0	0	0	113.1	S4 V5 I9 P10 L11 Y57 L58 Y61	S4-F7 WeakPolarHBondContact O-CB 3.47Å; S4-F7 PolarHBondContact O-N 2.91Å; V5-F7 PolarHBondContact O-N 3.48Å; F7-I9 PolarHBondContact O-N 2.93Å; F7-P10 WeakPolarHBondContact O-CD 3.31Å; F7-P10 WeakPolarHBondContact O-CG 3.26Å; F7-L11 HydrophobicContact CE1-CD2 4.46Å; F7-Y57 WeakPolarHBondContact CA-OH 3.35Å; F7-Y57 HydrophobicContact CD2-CD1 4.49Å; F7-Y57 AromaticContact CD2-CE1 3.49Å; F7-Y57 HydrophobicContact CD2-CE1 3.49Å; F7-Y57 VanDerWaalsContact CD2-CE1 3.49Å; F7-Y57 AromaticContact CD2-CZ 3.6Å; F7-Y57 WeakPolarHBondContact CD2-OH 3.5Å; F7-Y57 HydrophobicContact CE1-CE1 4.37Å; F7-Y57 AromaticContact CE2-CD1 3.81Å; F7-Y57 HydrophobicContact CE2-CD1 3.81Å; F7-Y57 AromaticContact CE2-CE1 3.19Å; F7-Y57 HydrophobicContact CE2-CE1 3.19Å; F7-Y57 AromaticContact CE2-CZ 3.72Å; F7-Y57 HydrophobicContact CG-CE1 4.21Å; F7-Y57 HydrophobicContact CZ-CD1 4.14Å; F7-Y57 AromaticContact CZ-CE1 3.71Å; F7-Y57 HydrophobicContact CZ-CE1 3.71Å; F7-Y57 PolarHBondContact O-OH 2.89Å; F7-L58 HydrophobicContact CZ-CD2 3.85Å; F7-Y61 HydrophobicContact CB-CD2 4.43Å; F7-Y61 HydrophobicContact CB-CE2 3.95Å; F7-Y61 AromaticContact CD1-CD2 3.83Å; F7-Y61 HydrophobicContact CD1-CD2 3.83Å; F7-Y61 AromaticContact CD1-CE2 3.41Å; F7-Y61 HydrophobicContact CD1-CE2 3.41Å; F7-Y61 VanDerWaalsContact CD1-CE2 3.41Å; F7-Y61 AromaticContact CD1-CZ 3.99Å; F7-Y61 AromaticContact CD2-CD2 3.2Å; F7-Y61 HydrophobicContact CD2-CD2 3.2Å; F7-Y61 AromaticContact CD2-CE2 3.56Å; F7-Y61 HydrophobicContact CD2-CE2 3.56Å; F7-Y61 HydrophobicContact CD2-CG 4.17Å; F7-Y61 HydrophobicContact CE1-CD1 4.5Å; F7-Y61 AromaticContact CE1-CD2 3.73Å; F7-Y61 HydrophobicContact CE1-CD2 3.73Å; F7-Y61 HydrophobicContact CE1-CE1 4.44Å; F7-Y61 AromaticContact CE1-CE2 3.64Å; F7-Y61 HydrophobicContact CE1-CE2 3.64Å; F7-Y61 HydrophobicContact CE1-CG 4.15Å; F7-Y61 AromaticContact CE2-CD2 3.09Å; F7-Y61 HydrophobicContact CE2-CD2 3.09Å; F7-Y61 AromaticContact CE2-CE2 3.79Å; F7-Y61 HydrophobicContact CE2-CE2 3.79Å; F7-Y61 AromaticContact CE2-CG 3.6Å; F7-Y61 HydrophobicContact CE2-CG 3.6Å; F7-Y61 AromaticContact CG-CD2 3.56Å; F7-Y61 HydrophobicContact CG-CD2 3.56Å; F7-Y61 AromaticContact CG-CE2 3.35Å; F7-Y61 HydrophobicContact CG-CE2 3.35Å; F7-Y61 HydrophobicContact CZ-CD1 4.2Å; F7-Y61 AromaticContact CZ-CD2 3.35Å; F7-Y61 HydrophobicContact CZ-CD2 3.35Å; F7-Y61 AromaticContact CZ-CE2 3.8Å; F7-Y61 HydrophobicContact CZ-CE2 3.8Å; F7-Y61 AromaticContact CZ-CG 3.56Å; F7-Y61 HydrophobicContact CZ-CG 3.56Å
8	Y	94	Very high	89.3	Confident	129 Å²	129	76.8 Å²	76.8	51%	0.506	43%	0.425	S	S	.	.	H	α-helix	trans	-73.6	-26.1	-176.4	-65.8	-57.8	0	0	0	114	S4 V5 L11 G12	S4-Y8 WeakPolarHBondContact O-CD2 3.32Å; S4-Y8 PolarHBondContact O-N 3.25Å; V5-Y8 PolarHBondContact O-N 3.46Å; Y8-L11 HydrophobicContact CD1-CD2 4.05Å; Y8-L11 PolarHBondContact O-N 2.87Å; Y8-G12 PolarHBondContact O-N 3.49Å
9	I	94.9	Very high	89.7	Confident	89 Å²	89	80.7 Å²	80.7	46%	0.456	44%	0.437	S	S	.	.	H	α-helix	trans	-57.7	-60.7	177	-70.7	162.5	0	0	0	112.2	M1 V5 F7 L11 G12 V13	M1-I9 HydrophobicContact CE-CD1 4.49Å; V5-I9 HydrophobicContact CG1-CD1 3.72Å; V5-I9 HydrophobicContact CG1-CG1 4.15Å; V5-I9 WeakPolarHBondContact O-CD1 3.31Å; V5-I9 VanDerWaalsContact O-CG1 3.24Å; V5-I9 WeakPolarHBondContact O-CG1 3.49Å; V5-I9 PolarHBondContact O-N 3.16Å; F7-I9 PolarHBondContact O-N 2.93Å; I9-L11 VanDerWaalsContact C-N 3.27Å; I9-L11 PolarHBondContact O-N 3.46Å; I9-G12 PolarHBondContact O-N 3.23Å; I9-V13 HydrophobicContact CG2-CG2 4.43Å; I9-V13 WeakPolarHBondContact O-CG2 3.03Å; I9-V13 PolarHBondContact O-N 2.99Å
10	P	95.3	Very high	90	Very high	39 Å²	39	81.3 Å²	81.3	25%	0.253	44%	0.44	S	S	.	.	H	α-helix	trans	-64	-33.8	179.5	27	-37.1	0	0	0	111.9	G6 F7 G12 V13 V14 W53 Y57	G6-P10 WeakPolarHBondContact O-CD 3.39Å; F7-P10 WeakPolarHBondContact O-CD 3.31Å; F7-P10 WeakPolarHBondContact O-CG 3.26Å; P10-G12 PolarHBondContact O-N 3.42Å; P10-V13 PolarHBondContact O-N 3.48Å; P10-V14 WeakPolarHBondContact O-CB 3.36Å; P10-V14 VanDerWaalsContact O-CG2 3.31Å; P10-V14 WeakPolarHBondContact O-CG2 3.18Å; P10-V14 PolarHBondContact O-N 3.42Å; P10-W53 HydrophobicContact CB-CZ2 4.49Å; P10-Y57 HydrophobicContact CB-CE2 4.39Å; P10-Y57 HydrophobicContact CG-CE1 4.32Å; P10-Y57 HydrophobicContact CG-CE2 3.98Å; P10-Y57 WeakPolarHBondContact CG-OH 3.29Å
11	L	95.5	Very high	90.4	Very high	40 Å²	40	79.4 Å²	79.4	21%	0.209	43%	0.431	C	S	.	.	H	α-helix	trans	-55.5	-51.2	172.6	-170.3	73.4	0	0	0	112.1	F7 Y8 I9 S15 W53 I54 Y57	F7-L11 HydrophobicContact CE1-CD2 4.46Å; Y8-L11 HydrophobicContact CD1-CD2 4.05Å; Y8-L11 PolarHBondContact O-N 2.87Å; I9-L11 VanDerWaalsContact C-N 3.27Å; I9-L11 PolarHBondContact O-N 3.46Å; L11-S15 WeakPolarHBondContact O-CB 3.49Å; L11-S15 PolarHBondContact O-N 3.45Å; L11-S15 VanDerWaalsContact O-N 3.16Å; L11-S15 PolarHBondContact O-OG 3.11Å; L11-W53 HydrophobicContact CD1-CH2 4.26Å; L11-W53 HydrophobicContact CD1-CZ3 4.17Å; L11-I54 HydrophobicContact CD1-CD1 3.26Å; L11-Y57 HydrophobicContact CB-CE1 4.35Å; L11-Y57 HydrophobicContact CD1-CD1 4.28Å
12	G	96.2	Very high	92.4	Very high	42 Å²	42	71.4 Å²	71.4	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-49.2	177.9	0	0	0	0	0	112.5	Y8 I9 P10 A16	Y8-G12 PolarHBondContact O-N 3.49Å; I9-G12 PolarHBondContact O-N 3.23Å; P10-G12 PolarHBondContact O-N 3.42Å; G12-A16 VanDerWaalsContact O-CB 3.27Å; G12-A16 WeakPolarHBondContact O-CB 3.4Å; G12-A16 PolarHBondContact O-N 3Å
13	V	97.4	Very high	93.5	Very high	96 Å²	96	71.9 Å²	71.9	58%	0.582	39%	0.392	S	S	*	.	H	α-helix	trans	-63.2	-48.4	-175.7	172.9	0	0	0	0	111.8	I9 P10 A16 F17	I9-V13 HydrophobicContact CG2-CG2 4.43Å; I9-V13 WeakPolarHBondContact O-CG2 3.03Å; I9-V13 PolarHBondContact O-N 2.99Å; P10-V13 PolarHBondContact O-N 3.48Å; V13-A16 PolarHBondContact O-N 2.98Å; V13-F17 WeakPolarHBondContact O-CB 3.38Å; V13-F17 PolarHBondContact O-N 2.9Å
14	V	97.1	Very high	94.6	Very high	31 Å²	31	66.3 Å²	66.3	19%	0.188	37%	0.368	C	S	.	.	H	α-helix	trans	-73.6	-35.4	-176.5	-178.8	0	0	0	0	111.5	P10 F17 W18 W53	P10-V14 WeakPolarHBondContact O-CB 3.36Å; P10-V14 VanDerWaalsContact O-CG2 3.31Å; P10-V14 WeakPolarHBondContact O-CG2 3.18Å; P10-V14 PolarHBondContact O-N 3.42Å; V14-F17 PolarHBondContact O-N 3.47Å; V14-W18 PolarHBondContact O-N 2.76Å; V14-W53 HydrophobicContact CB-CD2 3.98Å; V14-W53 HydrophobicContact CB-CE3 4.05Å; V14-W53 HydrophobicContact CB-CH2 3.82Å; V14-W53 HydrophobicContact CB-CZ2 3.66Å; V14-W53 HydrophobicContact CB-CZ3 3.97Å; V14-W53 HydrophobicContact CG1-CD2 3.36Å; V14-W53 HydrophobicContact CG1-CE3 3.62Å; V14-W53 HydrophobicContact CG1-CG 3.81Å; V14-W53 HydrophobicContact CG1-CH2 4.29Å; V14-W53 HydrophobicContact CG1-CZ2 4.01Å; V14-W53 HydrophobicContact CG1-CZ3 4.08Å; V14-W53 HydrophobicContact CG2-CD2 4.47Å; V14-W53 HydrophobicContact CG2-CH2 4.25Å; V14-W53 HydrophobicContact CG2-CZ2 3.64Å
15	S	96.9	Very high	95.3	Very high	28 Å²	28	64.8 Å²	64.8	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-45.2	172.9	-57.3	0	0	0	0	111.5	L11 F17 W18 F19 Y50	L11-S15 WeakPolarHBondContact O-CB 3.49Å; L11-S15 PolarHBondContact O-N 3.45Å; L11-S15 VanDerWaalsContact O-N 3.16Å; L11-S15 PolarHBondContact O-OG 3.11Å; S15-F17 VanDerWaalsContact C-N 3.34Å; S15-F17 PolarHBondContact O-N 3.31Å; S15-W18 PolarHBondContact O-N 3.45Å; S15-F19 WeakPolarHBondContact O-CB 3.49Å; S15-F19 PolarHBondContact O-N 2.98Å; S15-Y50 VanDerWaalsContact OG-CE2 3.29Å; S15-Y50 WeakPolarHBondContact OG-CE2 3.33Å; S15-Y50 PolarHBondContact OG-OH 2.91Å
16	A	97.6	Very high	95.5	Very high	58 Å²	58	63.1 Å²	63.1	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-41	176.8	0	0	0	0	0	111.9	G12 V13 L20	G12-A16 VanDerWaalsContact O-CB 3.27Å; G12-A16 WeakPolarHBondContact O-CB 3.4Å; G12-A16 PolarHBondContact O-N 3Å; V13-A16 PolarHBondContact O-N 2.98Å; A16-L20 VanDerWaalsContact O-CB 3.23Å; A16-L20 WeakPolarHBondContact O-CB 2.9Å; A16-L20 PolarHBondContact O-N 3.06Å
17	F	97.9	Very high	95.8	Very high	116 Å²	116	66 Å²	66	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-59.4	-53.9	176.5	174.9	-97.8	0	0	0	112	V13 V14 S15 F19 L20 V21	V13-F17 WeakPolarHBondContact O-CB 3.38Å; V13-F17 PolarHBondContact O-N 2.9Å; V14-F17 PolarHBondContact O-N 3.47Å; S15-F17 VanDerWaalsContact C-N 3.34Å; S15-F17 PolarHBondContact O-N 3.31Å; F17-F19 PolarHBondContact O-N 3.19Å; F17-L20 PolarHBondContact O-N 3.45Å; F17-V21 HydrophobicContact CD1-CG2 4.48Å; F17-V21 HydrophobicContact CE1-CG2 4.09Å; F17-V21 HydrophobicContact CE2-CG2 4.25Å; F17-V21 HydrophobicContact CZ-CG2 3.97Å; F17-V21 WeakPolarHBondContact O-CG2 3.27Å; F17-V21 PolarHBondContact O-N 3.17Å
18	W	97.7	Very high	95.8	Very high	55 Å²	55	72.4 Å²	72.4	21%	0.208	39%	0.388	C	S	.	.	H	α-helix	trans	-70.5	-33	-178.4	-75.5	115.5	0	0	0	113.2	V14 S15 V21 G22 A46 C49 Y50	V14-W18 PolarHBondContact O-N 2.76Å; S15-W18 PolarHBondContact O-N 3.45Å; W18-V21 HydrophobicContact CE3-CB 4.22Å; W18-V21 HydrophobicContact CE3-CG1 4.24Å; W18-V21 HydrophobicContact CZ3-CG1 4.22Å; W18-V21 PolarHBondContact O-N 2.97Å; W18-G22 PolarHBondContact O-N 3.15Å; W18-A46 HydrophobicContact CE3-CB 4Å; W18-C49 HydrophobicContact CD2-CB 4.06Å; W18-C49 HydrophobicContact CE3-CB 4.12Å; W18-C49 HydrophobicContact CH2-CB 3.4Å; W18-C49 HydrophobicContact CZ2-CB 3.33Å; W18-C49 HydrophobicContact CZ3-CB 3.8Å; W18-Y50 HydrophobicContact CB-CD2 4.13Å; W18-Y50 HydrophobicContact CB-CG 4.39Å; W18-Y50 HydrophobicContact CG-CD2 4.42Å
19	F	96.6	Very high	95.8	Very high	151 Å²	151	66.9 Å²	66.9	66%	0.662	37%	0.368	S	S	*	.	H	α-helix	trans	-60.4	-46.1	170.7	179.9	-97.8	0	0	0	111.2	S15 F17 G22 F23	S15-F19 WeakPolarHBondContact O-CB 3.49Å; S15-F19 PolarHBondContact O-N 2.98Å; F17-F19 PolarHBondContact O-N 3.19Å; F19-G22 PolarHBondContact O-N 2.95Å; F19-F23 VanDerWaalsContact O-CB 3.23Å; F19-F23 WeakPolarHBondContact O-CB 3.18Å; F19-F23 PolarHBondContact O-N 3.38Å
20	L	97.4	Very high	95.7	Very high	92 Å²	92	67.4 Å²	67.4	48%	0.482	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-44.1	176.8	-176.4	152.5	0	0	0	111.4	A16 F17 F23 L24	A16-L20 VanDerWaalsContact O-CB 3.23Å; A16-L20 WeakPolarHBondContact O-CB 2.9Å; A16-L20 PolarHBondContact O-N 3.06Å; F17-L20 PolarHBondContact O-N 3.45Å; L20-F23 PolarHBondContact O-N 3.4Å; L20-L24 HydrophobicContact CD1-CD1 4.02Å; L20-L24 HydrophobicContact CD2-CB 4.42Å; L20-L24 HydrophobicContact CD2-CD1 3.69Å; L20-L24 HydrophobicContact CD2-CG 4.3Å; L20-L24 HydrophobicContact CG-CD1 3.55Å; L20-L24 HydrophobicContact CG-CG 4.03Å; L20-L24 WeakPolarHBondContact O-CA 3.18Å; L20-L24 VanDerWaalsContact O-CB 3.23Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.3Å
21	V	96.6	Very high	95.5	Very high	41 Å²	41	75.1 Å²	75.1	25%	0.248	41%	0.407	C	S	.	.	H	α-helix	trans	-62	-45.9	176.5	172.8	0	0	0	0	111.3	F17 W18 F23 G25 A46	F17-V21 HydrophobicContact CD1-CG2 4.48Å; F17-V21 HydrophobicContact CE1-CG2 4.09Å; F17-V21 HydrophobicContact CE2-CG2 4.25Å; F17-V21 HydrophobicContact CZ-CG2 3.97Å; F17-V21 WeakPolarHBondContact O-CG2 3.27Å; F17-V21 PolarHBondContact O-N 3.17Å; W18-V21 HydrophobicContact CE3-CB 4.22Å; W18-V21 HydrophobicContact CE3-CG1 4.24Å; W18-V21 HydrophobicContact CZ3-CG1 4.22Å; W18-V21 PolarHBondContact O-N 2.97Å; V21-F23 VanDerWaalsContact C-N 3.34Å; V21-F23 PolarHBondContact O-N 3.32Å; V21-G25 VanDerWaalsContact O-CA 3.28Å; V21-G25 WeakPolarHBondContact O-CA 3.47Å; V21-G25 PolarHBondContact O-N 3.11Å; V21-A46 HydrophobicContact CG1-CB 4.26Å
22	G	96	Very high	95.4	Very high	18 Å²	18	75.1 Å²	75.1	19%	0.186	42%	0.417	C	S	.	.	H	α-helix	trans	-68.1	-30.7	179.5	0	0	0	0	0	113.7	W18 F19 P26	W18-G22 PolarHBondContact O-N 3.15Å; F19-G22 PolarHBondContact O-N 2.95Å; G22-P26 WeakPolarHBondContact O-CD 3.41Å; G22-P26 VanDerWaalsContact O-CG 3.29Å; G22-P26 WeakPolarHBondContact O-CG 3.44Å
23	F	95.2	Very high	95.3	Very high	130 Å²	130	79.6 Å²	79.6	57%	0.57	44%	0.438	S	S	*	.	H	α-helix	trans	-89	-53.4	-179.6	-175	-101.1	0	0	0	112.9	F19 L20 V21 V27	F19-F23 VanDerWaalsContact O-CB 3.23Å; F19-F23 WeakPolarHBondContact O-CB 3.18Å; F19-F23 PolarHBondContact O-N 3.38Å; L20-F23 PolarHBondContact O-N 3.4Å; V21-F23 VanDerWaalsContact C-N 3.34Å; V21-F23 PolarHBondContact O-N 3.32Å; F23-V27 WeakPolarHBondContact O-CG2 3.28Å
24	L	95.5	Very high	95.2	Very high	60 Å²	60	80 Å²	80	31%	0.314	44%	0.437	S	S	.	.	H	α-helix	trans	-75.4	-32.7	-178.3	-65.8	-171.6	0	0	0	112.5	L20 V27 F28	L20-L24 HydrophobicContact CD1-CD1 4.02Å; L20-L24 HydrophobicContact CD2-CB 4.42Å; L20-L24 HydrophobicContact CD2-CD1 3.69Å; L20-L24 HydrophobicContact CD2-CG 4.3Å; L20-L24 HydrophobicContact CG-CD1 3.55Å; L20-L24 HydrophobicContact CG-CG 4.03Å; L20-L24 WeakPolarHBondContact O-CA 3.18Å; L20-L24 VanDerWaalsContact O-CB 3.23Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.3Å; L24-V27 WeakPolarHBondContact O-CB 3.03Å; L24-V27 PolarHBondContact O-N 3.49Å; L24-F28 HydrophobicContact CB-CD2 4.11Å; L24-F28 HydrophobicContact CB-CE2 3.89Å; L24-F28 HydrophobicContact CD1-CE2 4.32Å; L24-F28 HydrophobicContact CD2-CE2 4.47Å; L24-F28 HydrophobicContact CG-CE2 4.47Å; L24-F28 WeakPolarHBondContact O-CD2 3.2Å; L24-F28 PolarHBondContact O-N 3.38Å; L24-F28 VanDerWaalsContact O-N 3.13Å
25	G	93.8	Very high	95	Very high	19 Å²	19	82.8 Å²	82.8	20%	0.196	45%	0.447	C	S	.	.	H	α-helix	trans	-52.8	-53.8	-179.3	0	0	0	0	0	113	V21 V27 F28 V29	V21-G25 VanDerWaalsContact O-CA 3.28Å; V21-G25 WeakPolarHBondContact O-CA 3.47Å; V21-G25 PolarHBondContact O-N 3.11Å; G25-V27 VanDerWaalsContact C-N 3.28Å; G25-V27 PolarHBondContact O-N 3.47Å; G25-F28 PolarHBondContact O-N 3Å; G25-V29 WeakPolarHBondContact O-CG2 3.35Å; G25-V29 PolarHBondContact O-N 3.14Å
26	P	93.4	Very high	94.9	Very high	27 Å²	27	88.6 Å²	88.6	18%	0.175	47%	0.473	C	S	.	.	H	α-helix	trans	-60.5	-30.5	175.1	-28	37.7	0	0	0	115	G22 V29 V43	G22-P26 WeakPolarHBondContact O-CD 3.41Å; G22-P26 VanDerWaalsContact O-CG 3.29Å; G22-P26 WeakPolarHBondContact O-CG 3.44Å; P26-V29 PolarHBondContact O-N 2.84Å; P26-V43 HydrophobicContact CG-CG2 3.46Å; P26-V43 VanDerWaalsContact CG-CG2 3.46Å
27	V	94.3	Very high	94.8	Very high	99 Å²	99	91.7 Å²	91.7	60%	0.6	48%	0.481	S	S	*	.	H	α-helix	trans	-68.6	-36.8	179.4	175.4	0	0	0	0	111	F23 L24 G25 V29	F23-V27 WeakPolarHBondContact O-CG2 3.28Å; L24-V27 WeakPolarHBondContact O-CB 3.03Å; L24-V27 PolarHBondContact O-N 3.49Å; G25-V27 VanDerWaalsContact C-N 3.28Å; G25-V27 PolarHBondContact O-N 3.47Å; V27-V29 VanDerWaalsContact C-N 3.33Å
28	F	93.5	Very high	94.7	Very high	160 Å²	160	90 Å²	90	70%	0.702	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	2	179.6	-67.2	-64.9	0	0	0	114.5	L24 G25	L24-F28 HydrophobicContact CB-CD2 4.11Å; L24-F28 HydrophobicContact CB-CE2 3.89Å; L24-F28 HydrophobicContact CD1-CE2 4.32Å; L24-F28 HydrophobicContact CD2-CE2 4.47Å; L24-F28 HydrophobicContact CG-CE2 4.47Å; L24-F28 WeakPolarHBondContact O-CD2 3.2Å; L24-F28 PolarHBondContact O-N 3.38Å; L24-F28 VanDerWaalsContact O-N 3.13Å; G25-F28 PolarHBondContact O-N 3Å
29	V	93.4	Very high	94.6	Very high	14 Å²	14	88.4 Å²	88.4	9%	0.085	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-71.1	123.3	176.7	-177.6	0	0	0	0	110.1	G25 P26 V27 K35 L38 I42	G25-V29 WeakPolarHBondContact O-CG2 3.35Å; G25-V29 PolarHBondContact O-N 3.14Å; P26-V29 PolarHBondContact O-N 2.84Å; V27-V29 VanDerWaalsContact C-N 3.33Å; V29-K35 HydrophobicContact CB-CG 4.36Å; V29-K35 HydrophobicContact CG1-CB 4.37Å; V29-K35 HydrophobicContact CG1-CG 3.82Å; V29-L38 HydrophobicContact CG1-CB 3.75Å; V29-L38 HydrophobicContact CG1-CD1 3.99Å; V29-L38 HydrophobicContact CG2-CB 4.38Å; V29-I42 HydrophobicContact CG2-CD1 3.69Å
30	P	92.6	Very high	94.6	Very high	99 Å²	99	85 Å²	85	64%	0.643	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-62.3	151	-180	25.9	-34.1	0	0	0	111.6	G32	P30-G32 PolarHBondContact O-N 3.41Å
31	K	91.6	Very high	94.6	Very high	201 Å²	201	83 Å²	83	87%	0.874	46%	0.458	S	S	*	.	S	Bend	trans	-67.9	116.9	174.6	-64.6	179.8	-177.3	175.6	0	108.5
32	G	92.8	Very high	94.6	Very high	41 Å²	41	83.3 Å²	83.3	42%	0.423	46%	0.458	S	S	.	.	S	Bend	trans	-166.2	172.9	177.6	0	0	0	0	0	111.6	P30 N34 K35	P30-G32 PolarHBondContact O-N 3.41Å; G32-N34 PolarHBondContact O-N 2.81Å; G32-N34 VanDerWaalsContact O-N 3.15Å; G32-K35 WeakPolarHBondContact O-CB 3.36Å; G32-K35 PolarHBondContact O-N 3.15Å; G32-K35 VanDerWaalsContact O-N 3.1Å
33	P	94.6	Very high	94.6	Very high	135 Å²	135	85.4 Å²	85.4	88%	0.877	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.6	-178	-24.8	34	0	0	0	113.1
34	N	94.3	Very high	94.8	Very high	106 Å²	106	84.3 Å²	84.3	57%	0.567	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	13.3	-176.2	-60.4	-25	0	0	0	113.7	G32 M36 L37 L38	G32-N34 PolarHBondContact O-N 2.81Å; G32-N34 VanDerWaalsContact O-N 3.15Å; N34-M36 VanDerWaalsContact C-N 3.33Å; N34-M36 PolarHBondContact O-N 3.23Å; N34-L37 PolarHBondContact O-N 3.26Å; N34-L38 WeakPolarHBondContact O-CG 3.24Å; N34-L38 PolarHBondContact O-N 3.29Å
35	K	93	Very high	94.8	Very high	88 Å²	88	85.1 Å²	85.1	38%	0.383	47%	0.474	S	S	.	.	H	α-helix	trans	-55.5	-47.7	-176.4	-178.4	-177.3	-179.7	-173.2	0	111.7	V29 G32 L37 L38 S39	V29-K35 HydrophobicContact CB-CG 4.36Å; V29-K35 HydrophobicContact CG1-CB 4.37Å; V29-K35 HydrophobicContact CG1-CG 3.82Å; G32-K35 WeakPolarHBondContact O-CB 3.36Å; G32-K35 PolarHBondContact O-N 3.15Å; G32-K35 VanDerWaalsContact O-N 3.1Å; K35-L37 PolarHBondContact O-N 3.2Å; K35-L38 PolarHBondContact O-N 3.49Å; K35-S39 WeakPolarHBondContact O-CB 3.32Å; K35-S39 PolarHBondContact O-N 3.32Å; K35-S39 PolarHBondContact O-OG 3.03Å; K35-S39 VanDerWaalsContact O-OG 3.06Å
36	M	94.2	Very high	95	Very high	151 Å²	151	84.4 Å²	84.4	74%	0.744	47%	0.467	S	S	*	.	H	α-helix	trans	-61.9	-45.5	-178.7	-178.4	176.5	179.5	0	0	111.8	N34 L38 S39 V40	N34-M36 VanDerWaalsContact C-N 3.33Å; N34-M36 PolarHBondContact O-N 3.23Å; M36-L38 VanDerWaalsContact C-N 3.35Å; M36-L38 PolarHBondContact O-N 3.06Å; M36-S39 PolarHBondContact O-N 3.48Å; M36-V40 HydrophobicContact CG-CG2 4.34Å; M36-V40 WeakPolarHBondContact O-CB 3.38Å; M36-V40 VanDerWaalsContact O-CG2 3.29Å; M36-V40 WeakPolarHBondContact O-CG2 3.35Å; M36-V40 PolarHBondContact O-N 3.42Å
37	L	96.3	Very high	95.2	Very high	123 Å²	123	86.7 Å²	86.7	64%	0.644	48%	0.48	S	S	*	.	H	α-helix	trans	-58.6	-47.6	177.9	179.3	63.8	0	0	0	111.2	N34 K35 V40 S41	N34-L37 PolarHBondContact O-N 3.26Å; K35-L37 PolarHBondContact O-N 3.2Å; L37-V40 PolarHBondContact O-N 2.96Å; L37-S41 WeakPolarHBondContact O-CB 3.29Å; L37-S41 PolarHBondContact O-N 2.65Å; L37-S41 PolarHBondContact O-OG 3.06Å
38	L	95.9	Very high	95.4	Very high	80 Å²	80	85.2 Å²	85.2	42%	0.419	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-48.7	178	-71	170.4	0	0	0	111.5	V29 N34 K35 M36 V40 S41 I42	V29-L38 HydrophobicContact CG1-CB 3.75Å; V29-L38 HydrophobicContact CG1-CD1 3.99Å; V29-L38 HydrophobicContact CG2-CB 4.38Å; N34-L38 WeakPolarHBondContact O-CG 3.24Å; N34-L38 PolarHBondContact O-N 3.29Å; K35-L38 PolarHBondContact O-N 3.49Å; M36-L38 VanDerWaalsContact C-N 3.35Å; M36-L38 PolarHBondContact O-N 3.06Å; L38-V40 PolarHBondContact O-N 2.95Å; L38-S41 WeakPolarHBondContact CA-OG 3.06Å; L38-S41 PolarHBondContact O-N 3.16Å; L38-S41 PolarHBondContact O-OG 2.86Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.47Å; L38-I42 PolarHBondContact O-N 2.94Å
39	S	95.4	Very high	95.6	Very high	21 Å²	21	79.8 Å²	79.8	15%	0.147	46%	0.455	C	S	.	.	H	α-helix	trans	-57.9	-46.7	177.9	-64.1	0	0	0	0	112	K35 M36 I42 V43	K35-S39 WeakPolarHBondContact O-CB 3.32Å; K35-S39 PolarHBondContact O-N 3.32Å; K35-S39 PolarHBondContact O-OG 3.03Å; K35-S39 VanDerWaalsContact O-OG 3.06Å; M36-S39 PolarHBondContact O-N 3.48Å; S39-I42 PolarHBondContact O-N 2.92Å; S39-V43 WeakPolarHBondContact O-CG2 3.29Å; S39-V43 PolarHBondContact O-N 3.46Å
40	V	96.7	Very high	95.8	Very high	80 Å²	80	82.7 Å²	82.7	49%	0.485	47%	0.465	S	S	.	.	H	α-helix	trans	-65.5	-42.1	178.4	173	0	0	0	0	111.1	M36 L37 L38 I42 V43 L44	M36-V40 HydrophobicContact CG-CG2 4.34Å; M36-V40 WeakPolarHBondContact O-CB 3.38Å; M36-V40 VanDerWaalsContact O-CG2 3.29Å; M36-V40 WeakPolarHBondContact O-CG2 3.35Å; M36-V40 PolarHBondContact O-N 3.42Å; L37-V40 PolarHBondContact O-N 2.96Å; L38-V40 PolarHBondContact O-N 2.95Å; V40-I42 VanDerWaalsContact C-N 3.31Å; V40-I42 PolarHBondContact O-N 3.23Å; V40-V43 PolarHBondContact O-N 2.97Å; V40-L44 VanDerWaalsContact O-CB 3.23Å; V40-L44 WeakPolarHBondContact O-CB 3.35Å; V40-L44 PolarHBondContact O-N 2.91Å
41	S	96.9	Very high	96	Very high	49 Å²	49	83 Å²	83	34%	0.343	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-39.2	177.4	67.9	0	0	0	0	112.6	L37 L38 T45	L37-S41 WeakPolarHBondContact O-CB 3.29Å; L37-S41 PolarHBondContact O-N 2.65Å; L37-S41 PolarHBondContact O-OG 3.06Å; L38-S41 WeakPolarHBondContact CA-OG 3.06Å; L38-S41 PolarHBondContact O-N 3.16Å; L38-S41 PolarHBondContact O-OG 2.86Å; S41-T45 VanDerWaalsContact O-CB 3.29Å; S41-T45 WeakPolarHBondContact O-CB 3.31Å; S41-T45 PolarHBondContact O-N 3.5Å; S41-T45 PolarHBondContact O-OG1 2.96Å
42	I	96.6	Very high	96.2	Very high	49 Å²	49	80.3 Å²	80.3	25%	0.251	45%	0.449	S	S	.	.	H	α-helix	trans	-68	-47.8	178.6	-67.4	163.6	0	0	0	110.4	V29 L38 S39 V40 T45 A46	V29-I42 HydrophobicContact CG2-CD1 3.69Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.47Å; L38-I42 PolarHBondContact O-N 2.94Å; S39-I42 PolarHBondContact O-N 2.92Å; V40-I42 VanDerWaalsContact C-N 3.31Å; V40-I42 PolarHBondContact O-N 3.23Å; I42-T45 PolarHBondContact O-N 3.25Å; I42-A46 WeakPolarHBondContact O-CB 3.29Å; I42-A46 PolarHBondContact O-N 3.37Å
43	V	97.4	Very high	96.4	Very high	62 Å²	62	81.2 Å²	81.2	38%	0.376	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-47.1	178.3	175.4	0	0	0	0	110.7	P26 S39 V40 T45 A46 V47	P26-V43 HydrophobicContact CG-CG2 3.46Å; P26-V43 VanDerWaalsContact CG-CG2 3.46Å; S39-V43 WeakPolarHBondContact O-CG2 3.29Å; S39-V43 PolarHBondContact O-N 3.46Å; V40-V43 PolarHBondContact O-N 2.97Å; V43-T45 VanDerWaalsContact C-N 3.34Å; V43-T45 PolarHBondContact O-N 3.45Å; V43-A46 PolarHBondContact O-N 3.45Å; V43-V47 HydrophobicContact CG1-CG2 4.36Å; V43-V47 WeakPolarHBondContact O-CG2 3.22Å; V43-V47 PolarHBondContact O-N 2.87Å
44	L	97.6	Very high	96.5	Very high	106 Å²	106	76 Å²	76	56%	0.555	40%	0.404	S	S	*	.	H	α-helix	trans	-60.4	-45.1	179.2	-175.6	64.6	0	0	0	111.1	V40 A46 V47 C48	V40-L44 VanDerWaalsContact O-CB 3.23Å; V40-L44 WeakPolarHBondContact O-CB 3.35Å; V40-L44 PolarHBondContact O-N 2.91Å; L44-A46 PolarHBondContact O-N 2.91Å; L44-V47 PolarHBondContact O-N 3.4Å; L44-C48 WeakPolarHBondContact O-CB 3.27Å; L44-C48 PolarHBondContact O-N 3.23Å; L44-C48 PolarHBondContact O-SG 3.44Å
45	T	97.4	Very high	96.6	Very high	77 Å²	77	72.9 Å²	72.9	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-59.6	-47.5	175.9	-57.5	0	0	0	0	111	S41 I42 V43 V47 C48 C49	S41-T45 VanDerWaalsContact O-CB 3.29Å; S41-T45 WeakPolarHBondContact O-CB 3.31Å; S41-T45 PolarHBondContact O-N 3.5Å; S41-T45 PolarHBondContact O-OG1 2.96Å; I42-T45 PolarHBondContact O-N 3.25Å; V43-T45 VanDerWaalsContact C-N 3.34Å; V43-T45 PolarHBondContact O-N 3.45Å; T45-V47 VanDerWaalsContact C-N 3.34Å; T45-V47 PolarHBondContact O-N 3.35Å; T45-C48 PolarHBondContact O-N 2.92Å; T45-C49 VanDerWaalsContact O-CB 3.27Å; T45-C49 WeakPolarHBondContact O-CB 3.32Å; T45-C49 PolarHBondContact O-N 3.38Å; T45-C49 PolarHBondContact O-SG 2.84Å
46	A	97.6	Very high	96.7	Very high	5 Å²	5	74.4 Å²	74.4	4%	0.041	40%	0.404	C	S	.	.	H	α-helix	trans	-60.3	-44	179.4	0	0	0	0	0	112.1	W18 V21 I42 V43 L44 Y50	W18-A46 HydrophobicContact CE3-CB 4Å; V21-A46 HydrophobicContact CG1-CB 4.26Å; I42-A46 WeakPolarHBondContact O-CB 3.29Å; I42-A46 PolarHBondContact O-N 3.37Å; V43-A46 PolarHBondContact O-N 3.45Å; L44-A46 PolarHBondContact O-N 2.91Å; A46-Y50 VanDerWaalsContact O-CB 3.22Å; A46-Y50 WeakPolarHBondContact O-CB 3.23Å; A46-Y50 PolarHBondContact O-N 3.21Å
47	V	97.5	Very high	96.7	Very high	74 Å²	74	69.6 Å²	69.6	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-49.6	177.7	172.4	0	0	0	0	111.2	V43 L44 T45 C49 Y50 L51	V43-V47 HydrophobicContact CG1-CG2 4.36Å; V43-V47 WeakPolarHBondContact O-CG2 3.22Å; V43-V47 PolarHBondContact O-N 2.87Å; L44-V47 PolarHBondContact O-N 3.4Å; T45-V47 VanDerWaalsContact C-N 3.34Å; T45-V47 PolarHBondContact O-N 3.35Å; V47-C49 PolarHBondContact O-N 2.93Å; V47-Y50 PolarHBondContact O-N 3.42Å; V47-L51 HydrophobicContact CG1-CD1 3.82Å; V47-L51 HydrophobicContact CG1-CG 4.27Å; V47-L51 WeakPolarHBondContact O-CB 3.16Å; V47-L51 VanDerWaalsContact O-CG 3.29Å; V47-L51 WeakPolarHBondContact O-CG 3.18Å; V47-L51 PolarHBondContact O-N 3.48Å
48	C	97.9	Very high	96.7	Very high	69 Å²	69	68.1 Å²	68.1	47%	0.466	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-45	-179.6	-70.5	0	0	0	0	112	L44 T45 L51 F52	L44-C48 WeakPolarHBondContact O-CB 3.27Å; L44-C48 PolarHBondContact O-N 3.23Å; L44-C48 PolarHBondContact O-SG 3.44Å; T45-C48 PolarHBondContact O-N 2.92Å; C48-L51 PolarHBondContact O-N 2.88Å; C48-F52 WeakPolarHBondContact O-CB 3.23Å; C48-F52 PolarHBondContact O-N 3.06Å
49	C	97.5	Very high	96.6	Very high	45 Å²	45	67.8 Å²	67.8	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-40.7	177.5	-69.7	0	0	0	0	111.8	W18 T45 V47 W53	W18-C49 HydrophobicContact CD2-CB 4.06Å; W18-C49 HydrophobicContact CE3-CB 4.12Å; W18-C49 HydrophobicContact CH2-CB 3.4Å; W18-C49 HydrophobicContact CZ2-CB 3.33Å; W18-C49 HydrophobicContact CZ3-CB 3.8Å; T45-C49 VanDerWaalsContact O-CB 3.27Å; T45-C49 WeakPolarHBondContact O-CB 3.32Å; T45-C49 PolarHBondContact O-N 3.38Å; T45-C49 PolarHBondContact O-SG 2.84Å; V47-C49 PolarHBondContact O-N 2.93Å; C49-W53 VanDerWaalsContact O-CB 3.29Å; C49-W53 WeakPolarHBondContact O-CB 3.38Å; C49-W53 PolarHBondContact O-N 2.95Å
50	Y	97.7	Very high	96.4	Very high	75 Å²	75	73.6 Å²	73.6	29%	0.294	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-47.3	175.8	-178.6	-111.3	0	0	0	111.8	S15 W18 A46 V47 F52 W53 I54	S15-Y50 VanDerWaalsContact OG-CE2 3.29Å; S15-Y50 WeakPolarHBondContact OG-CE2 3.33Å; S15-Y50 PolarHBondContact OG-OH 2.91Å; W18-Y50 HydrophobicContact CB-CD2 4.13Å; W18-Y50 HydrophobicContact CB-CG 4.39Å; W18-Y50 HydrophobicContact CG-CD2 4.42Å; A46-Y50 VanDerWaalsContact O-CB 3.22Å; A46-Y50 WeakPolarHBondContact O-CB 3.23Å; A46-Y50 PolarHBondContact O-N 3.21Å; V47-Y50 PolarHBondContact O-N 3.42Å; Y50-F52 VanDerWaalsContact C-N 3.35Å; Y50-F52 PolarHBondContact O-N 3.48Å; Y50-W53 HydrophobicContact CD2-CE3 4.41Å; Y50-W53 HydrophobicContact CE2-CE3 4.22Å; Y50-W53 HydrophobicContact CE2-CZ3 4.4Å; Y50-W53 PolarHBondContact O-N 2.92Å; Y50-I54 HydrophobicContact CD1-CG2 4.49Å; Y50-I54 HydrophobicContact CE1-CB 4.46Å; Y50-I54 HydrophobicContact CE1-CG2 4.32Å; Y50-I54 HydrophobicContact CE2-CB 4.4Å; Y50-I54 WeakPolarHBondContact O-CB 3.36Å; Y50-I54 WeakPolarHBondContact O-CG2 3.29Å; Y50-I54 PolarHBondContact O-N 3.49Å
51	L	96.8	Very high	96.1	Very high	107 Å²	107	73.9 Å²	73.9	56%	0.56	40%	0.397	S	S	*	.	H	α-helix	trans	-60.5	-42.9	178	-74.7	176.4	0	0	0	112.3	V47 C48 I54 G55	V47-L51 HydrophobicContact CG1-CD1 3.82Å; V47-L51 HydrophobicContact CG1-CG 4.27Å; V47-L51 WeakPolarHBondContact O-CB 3.16Å; V47-L51 VanDerWaalsContact O-CG 3.29Å; V47-L51 WeakPolarHBondContact O-CG 3.18Å; V47-L51 PolarHBondContact O-N 3.48Å; C48-L51 PolarHBondContact O-N 2.88Å; L51-I54 WeakPolarHBondContact O-CG2 3.27Å; L51-G55 PolarHBondContact O-N 3.39Å; L51-G55 VanDerWaalsContact O-N 3.11Å
52	F	96.5	Very high	95.8	Very high	143 Å²	143	77.9 Å²	77.9	63%	0.627	41%	0.41	S	S	*	.	H	α-helix	trans	-59.5	-53.1	173.8	-176.9	-87.5	0	0	0	110.2	C48 Y50 G55 F56	C48-F52 WeakPolarHBondContact O-CB 3.23Å; C48-F52 PolarHBondContact O-N 3.06Å; Y50-F52 VanDerWaalsContact C-N 3.35Å; Y50-F52 PolarHBondContact O-N 3.48Å; F52-G55 PolarHBondContact O-N 2.91Å; F52-F56 AromaticContact CD1-CD2 3.97Å; F52-F56 HydrophobicContact CD1-CD2 3.97Å; F52-F56 HydrophobicContact CD1-CE2 4.19Å; F52-F56 HydrophobicContact CD2-CD2 4.24Å; F52-F56 AromaticContact CD2-CE2 3.68Å; F52-F56 HydrophobicContact CD2-CE2 3.68Å; F52-F56 AromaticContact CE1-CD2 3.77Å; F52-F56 HydrophobicContact CE1-CD2 3.77Å; F52-F56 AromaticContact CE1-CE2 3.86Å; F52-F56 HydrophobicContact CE1-CE2 3.86Å; F52-F56 HydrophobicContact CE2-CD2 4.07Å; F52-F56 AromaticContact CE2-CE2 3.32Å; F52-F56 HydrophobicContact CE2-CE2 3.32Å; F52-F56 HydrophobicContact CE2-CZ 4.17Å; F52-F56 HydrophobicContact CG-CD2 4.2Å; F52-F56 HydrophobicContact CG-CE2 4.1Å; F52-F56 AromaticContact CZ-CD2 3.82Å; F52-F56 HydrophobicContact CZ-CD2 3.82Å; F52-F56 AromaticContact CZ-CE2 3.41Å; F52-F56 HydrophobicContact CZ-CE2 3.41Å; F52-F56 VanDerWaalsContact CZ-CE2 3.41Å; F52-F56 HydrophobicContact CZ-CZ 4.27Å; F52-F56 WeakPolarHBondContact O-CD2 3.43Å; F52-F56 PolarHBondContact O-N 2.96Å
53	W	97	Very high	95.5	Very high	60 Å²	60	80.1 Å²	80.1	23%	0.227	43%	0.428	C	S	.	.	H	α-helix	trans	-60.9	-51.6	-177.6	179.3	84.9	0	0	0	112.7	P10 L11 V14 C49 Y50 G55 F56 Y57	P10-W53 HydrophobicContact CB-CZ2 4.49Å; L11-W53 HydrophobicContact CD1-CH2 4.26Å; L11-W53 HydrophobicContact CD1-CZ3 4.17Å; V14-W53 HydrophobicContact CB-CD2 3.98Å; V14-W53 HydrophobicContact CB-CE3 4.05Å; V14-W53 HydrophobicContact CB-CH2 3.82Å; V14-W53 HydrophobicContact CB-CZ2 3.66Å; V14-W53 HydrophobicContact CB-CZ3 3.97Å; V14-W53 HydrophobicContact CG1-CD2 3.36Å; V14-W53 HydrophobicContact CG1-CE3 3.62Å; V14-W53 HydrophobicContact CG1-CG 3.81Å; V14-W53 HydrophobicContact CG1-CH2 4.29Å; V14-W53 HydrophobicContact CG1-CZ2 4.01Å; V14-W53 HydrophobicContact CG1-CZ3 4.08Å; V14-W53 HydrophobicContact CG2-CD2 4.47Å; V14-W53 HydrophobicContact CG2-CH2 4.25Å; V14-W53 HydrophobicContact CG2-CZ2 3.64Å; C49-W53 VanDerWaalsContact O-CB 3.29Å; C49-W53 WeakPolarHBondContact O-CB 3.38Å; C49-W53 PolarHBondContact O-N 2.95Å; Y50-W53 HydrophobicContact CD2-CE3 4.41Å; Y50-W53 HydrophobicContact CE2-CE3 4.22Å; Y50-W53 HydrophobicContact CE2-CZ3 4.4Å; Y50-W53 PolarHBondContact O-N 2.92Å; W53-G55 VanDerWaalsContact C-N 3.31Å; W53-G55 PolarHBondContact O-N 3.46Å; W53-F56 PolarHBondContact O-N 3.45Å; W53-Y57 AromaticContact CH2-CD1 3.74Å; W53-Y57 HydrophobicContact CH2-CD1 3.74Å; W53-Y57 HydrophobicContact CH2-CD2 4.3Å; W53-Y57 HydrophobicContact CH2-CE1 4.31Å; W53-Y57 AromaticContact CH2-CG 3.76Å; W53-Y57 HydrophobicContact CH2-CG 3.76Å; W53-Y57 HydrophobicContact CZ2-CD1 4.14Å; W53-Y57 AromaticContact CZ2-CD2 3.85Å; W53-Y57 HydrophobicContact CZ2-CD2 3.85Å; W53-Y57 HydrophobicContact CZ2-CE2 4.42Å; W53-Y57 AromaticContact CZ2-CG 3.73Å; W53-Y57 HydrophobicContact CZ2-CG 3.73Å; W53-Y57 HydrophobicContact CZ3-CD1 4.46Å; W53-Y57 HydrophobicContact CZ3-CG 4.5Å; W53-Y57 VanDerWaalsContact O-CB 3.27Å; W53-Y57 WeakPolarHBondContact O-CB 3.43Å; W53-Y57 PolarHBondContact O-N 2.68Å
54	I	96.7	Very high	95.2	Very high	25 Å²	25	86.3 Å²	86.3	13%	0.128	45%	0.45	C	S	.	.	H	α-helix	trans	-64.1	-37.5	-176.4	-170.2	63.4	0	0	0	111.3	L11 Y50 L51 Y57 L58	L11-I54 HydrophobicContact CD1-CD1 3.26Å; Y50-I54 HydrophobicContact CD1-CG2 4.49Å; Y50-I54 HydrophobicContact CE1-CB 4.46Å; Y50-I54 HydrophobicContact CE1-CG2 4.32Å; Y50-I54 HydrophobicContact CE2-CB 4.4Å; Y50-I54 WeakPolarHBondContact O-CB 3.36Å; Y50-I54 WeakPolarHBondContact O-CG2 3.29Å; Y50-I54 PolarHBondContact O-N 3.49Å; L51-I54 WeakPolarHBondContact O-CG2 3.27Å; I54-Y57 PolarHBondContact O-N 3.25Å; I54-L58 HydrophobicContact CD1-CD1 4.07Å; I54-L58 HydrophobicContact CD1-CD2 4.27Å; I54-L58 HydrophobicContact CD1-CG 3.9Å; I54-L58 HydrophobicContact CG1-CD1 3.83Å; I54-L58 HydrophobicContact CG1-CG 4.05Å; I54-L58 WeakPolarHBondContact O-CB 3.44Å; I54-L58 VanDerWaalsContact O-CG 3.26Å; I54-L58 WeakPolarHBondContact O-CG 3.1Å; I54-L58 PolarHBondContact O-N 3.36Å
55	G	96.2	Very high	95	Very high	41 Å²	41	90.2 Å²	90.2	42%	0.423	46%	0.463	S	S	.	.	H	α-helix	trans	-59.4	-53.6	177.4	0	0	0	0	0	112.3	L51 F52 W53 Y57 A59	L51-G55 PolarHBondContact O-N 3.39Å; L51-G55 VanDerWaalsContact O-N 3.11Å; F52-G55 PolarHBondContact O-N 2.91Å; W53-G55 VanDerWaalsContact C-N 3.31Å; W53-G55 PolarHBondContact O-N 3.46Å; G55-Y57 VanDerWaalsContact C-N 3.32Å; G55-Y57 PolarHBondContact O-N 3.41Å; G55-A59 VanDerWaalsContact O-CB 3.32Å; G55-A59 WeakPolarHBondContact O-CB 3.28Å; G55-A59 PolarHBondContact O-N 3.4Å
56	F	94.6	Very high	94.7	Very high	121 Å²	121	89.6 Å²	89.6	53%	0.531	47%	0.472	S	S	.	.	H	α-helix	trans	-68.7	-30.6	178.7	-73.3	-71.4	0	0	0	113.3	F52 W53 Q60	F52-F56 AromaticContact CD1-CD2 3.97Å; F52-F56 HydrophobicContact CD1-CD2 3.97Å; F52-F56 HydrophobicContact CD1-CE2 4.19Å; F52-F56 HydrophobicContact CD2-CD2 4.24Å; F52-F56 AromaticContact CD2-CE2 3.68Å; F52-F56 HydrophobicContact CD2-CE2 3.68Å; F52-F56 AromaticContact CE1-CD2 3.77Å; F52-F56 HydrophobicContact CE1-CD2 3.77Å; F52-F56 AromaticContact CE1-CE2 3.86Å; F52-F56 HydrophobicContact CE1-CE2 3.86Å; F52-F56 HydrophobicContact CE2-CD2 4.07Å; F52-F56 AromaticContact CE2-CE2 3.32Å; F52-F56 HydrophobicContact CE2-CE2 3.32Å; F52-F56 HydrophobicContact CE2-CZ 4.17Å; F52-F56 HydrophobicContact CG-CD2 4.2Å; F52-F56 HydrophobicContact CG-CE2 4.1Å; F52-F56 AromaticContact CZ-CD2 3.82Å; F52-F56 HydrophobicContact CZ-CD2 3.82Å; F52-F56 AromaticContact CZ-CE2 3.41Å; F52-F56 HydrophobicContact CZ-CE2 3.41Å; F52-F56 VanDerWaalsContact CZ-CE2 3.41Å; F52-F56 HydrophobicContact CZ-CZ 4.27Å; F52-F56 WeakPolarHBondContact O-CD2 3.43Å; F52-F56 PolarHBondContact O-N 2.96Å; W53-F56 PolarHBondContact O-N 3.45Å; F56-Q60 PolarHBondContact O-NE2 3.37Å
57	Y	95.5	Very high	94.5	Very high	50 Å²	50	94.9 Å²	94.9	20%	0.196	51%	0.506	C	S	.	.	H	α-helix	trans	-68.6	-48.2	177.1	-168.2	-105	0	0	0	111.3	F7 P10 L11 W53 I54 G55 A59 Q60	F7-Y57 WeakPolarHBondContact CA-OH 3.35Å; F7-Y57 HydrophobicContact CD2-CD1 4.49Å; F7-Y57 AromaticContact CD2-CE1 3.49Å; F7-Y57 HydrophobicContact CD2-CE1 3.49Å; F7-Y57 VanDerWaalsContact CD2-CE1 3.49Å; F7-Y57 AromaticContact CD2-CZ 3.6Å; F7-Y57 WeakPolarHBondContact CD2-OH 3.5Å; F7-Y57 HydrophobicContact CE1-CE1 4.37Å; F7-Y57 AromaticContact CE2-CD1 3.81Å; F7-Y57 HydrophobicContact CE2-CD1 3.81Å; F7-Y57 AromaticContact CE2-CE1 3.19Å; F7-Y57 HydrophobicContact CE2-CE1 3.19Å; F7-Y57 AromaticContact CE2-CZ 3.72Å; F7-Y57 HydrophobicContact CG-CE1 4.21Å; F7-Y57 HydrophobicContact CZ-CD1 4.14Å; F7-Y57 AromaticContact CZ-CE1 3.71Å; F7-Y57 HydrophobicContact CZ-CE1 3.71Å; F7-Y57 PolarHBondContact O-OH 2.89Å; P10-Y57 HydrophobicContact CB-CE2 4.39Å; P10-Y57 HydrophobicContact CG-CE1 4.32Å; P10-Y57 HydrophobicContact CG-CE2 3.98Å; P10-Y57 WeakPolarHBondContact CG-OH 3.29Å; L11-Y57 HydrophobicContact CB-CE1 4.35Å; L11-Y57 HydrophobicContact CD1-CD1 4.28Å; W53-Y57 AromaticContact CH2-CD1 3.74Å; W53-Y57 HydrophobicContact CH2-CD1 3.74Å; W53-Y57 HydrophobicContact CH2-CD2 4.3Å; W53-Y57 HydrophobicContact CH2-CE1 4.31Å; W53-Y57 AromaticContact CH2-CG 3.76Å; W53-Y57 HydrophobicContact CH2-CG 3.76Å; W53-Y57 HydrophobicContact CZ2-CD1 4.14Å; W53-Y57 AromaticContact CZ2-CD2 3.85Å; W53-Y57 HydrophobicContact CZ2-CD2 3.85Å; W53-Y57 HydrophobicContact CZ2-CE2 4.42Å; W53-Y57 AromaticContact CZ2-CG 3.73Å; W53-Y57 HydrophobicContact CZ2-CG 3.73Å; W53-Y57 HydrophobicContact CZ3-CD1 4.46Å; W53-Y57 HydrophobicContact CZ3-CG 4.5Å; W53-Y57 VanDerWaalsContact O-CB 3.27Å; W53-Y57 WeakPolarHBondContact O-CB 3.43Å; W53-Y57 PolarHBondContact O-N 2.68Å; I54-Y57 PolarHBondContact O-N 3.25Å; G55-Y57 VanDerWaalsContact C-N 3.32Å; G55-Y57 PolarHBondContact O-N 3.41Å; Y57-A59 VanDerWaalsContact C-N 3.35Å; Y57-A59 PolarHBondContact O-N 3.48Å; Y57-Q60 PolarHBondContact O-N 2.9Å
58	L	94.2	Very high	94.4	Very high	91 Å²	91	97.5 Å²	97.5	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-67.2	-34.2	177.3	-67.4	-178.5	0	0	0	112.6	F7 I54 Q60 Y61	F7-L58 HydrophobicContact CZ-CD2 3.85Å; I54-L58 HydrophobicContact CD1-CD1 4.07Å; I54-L58 HydrophobicContact CD1-CD2 4.27Å; I54-L58 HydrophobicContact CD1-CG 3.9Å; I54-L58 HydrophobicContact CG1-CD1 3.83Å; I54-L58 HydrophobicContact CG1-CG 4.05Å; I54-L58 WeakPolarHBondContact O-CB 3.44Å; I54-L58 VanDerWaalsContact O-CG 3.26Å; I54-L58 WeakPolarHBondContact O-CG 3.1Å; I54-L58 PolarHBondContact O-N 3.36Å; L58-Q60 PolarHBondContact O-N 3.07Å; L58-Q60 VanDerWaalsContact O-N 3.11Å; L58-Y61 WeakPolarHBondContact O-CB 3.29Å; L58-Y61 PolarHBondContact O-N 3.38Å
59	A	93.9	Very high	94.2	Very high	74 Å²	74	98.1 Å²	98.1	61%	0.612	53%	0.525	S	S	*	.	H	α-helix	trans	-58.8	-23.5	177.2	0	0	0	0	0	113.5	G55 Y57	G55-A59 VanDerWaalsContact O-CB 3.32Å; G55-A59 WeakPolarHBondContact O-CB 3.28Å; G55-A59 PolarHBondContact O-N 3.4Å; Y57-A59 VanDerWaalsContact C-N 3.35Å; Y57-A59 PolarHBondContact O-N 3.48Å
60	Q	91.8	Very high	94.1	Very high	142 Å²	142	104.1 Å²	104.1	66%	0.664	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.5	179.8	-68.4	173.6	92.1	0	0	113.6	F56 Y57 L58 H62	F56-Q60 PolarHBondContact O-NE2 3.37Å; Y57-Q60 PolarHBondContact O-N 2.9Å; L58-Q60 PolarHBondContact O-N 3.07Å; L58-Q60 VanDerWaalsContact O-N 3.11Å; Q60-H62 PolarHBondContact O-N 2.99Å
61	Y	89.9	Confident	93.9	Very high	87 Å²	87	106.3 Å²	106.3	34%	0.341	57%	0.568	S	S	.	*	S	Bend	trans	-68.4	-36.4	-175.2	-171.3	-130.6	0	0	0	113.2	F7 L58	F7-Y61 HydrophobicContact CB-CD2 4.43Å; F7-Y61 HydrophobicContact CB-CE2 3.95Å; F7-Y61 AromaticContact CD1-CD2 3.83Å; F7-Y61 HydrophobicContact CD1-CD2 3.83Å; F7-Y61 AromaticContact CD1-CE2 3.41Å; F7-Y61 HydrophobicContact CD1-CE2 3.41Å; F7-Y61 VanDerWaalsContact CD1-CE2 3.41Å; F7-Y61 AromaticContact CD1-CZ 3.99Å; F7-Y61 AromaticContact CD2-CD2 3.2Å; F7-Y61 HydrophobicContact CD2-CD2 3.2Å; F7-Y61 AromaticContact CD2-CE2 3.56Å; F7-Y61 HydrophobicContact CD2-CE2 3.56Å; F7-Y61 HydrophobicContact CD2-CG 4.17Å; F7-Y61 HydrophobicContact CE1-CD1 4.5Å; F7-Y61 AromaticContact CE1-CD2 3.73Å; F7-Y61 HydrophobicContact CE1-CD2 3.73Å; F7-Y61 HydrophobicContact CE1-CE1 4.44Å; F7-Y61 AromaticContact CE1-CE2 3.64Å; F7-Y61 HydrophobicContact CE1-CE2 3.64Å; F7-Y61 HydrophobicContact CE1-CG 4.15Å; F7-Y61 AromaticContact CE2-CD2 3.09Å; F7-Y61 HydrophobicContact CE2-CD2 3.09Å; F7-Y61 AromaticContact CE2-CE2 3.79Å; F7-Y61 HydrophobicContact CE2-CE2 3.79Å; F7-Y61 AromaticContact CE2-CG 3.6Å; F7-Y61 HydrophobicContact CE2-CG 3.6Å; F7-Y61 AromaticContact CG-CD2 3.56Å; F7-Y61 HydrophobicContact CG-CD2 3.56Å; F7-Y61 AromaticContact CG-CE2 3.35Å; F7-Y61 HydrophobicContact CG-CE2 3.35Å; F7-Y61 HydrophobicContact CZ-CD1 4.2Å; F7-Y61 AromaticContact CZ-CD2 3.35Å; F7-Y61 HydrophobicContact CZ-CD2 3.35Å; F7-Y61 AromaticContact CZ-CE2 3.8Å; F7-Y61 HydrophobicContact CZ-CE2 3.8Å; F7-Y61 AromaticContact CZ-CG 3.56Å; F7-Y61 HydrophobicContact CZ-CG 3.56Å; L58-Y61 WeakPolarHBondContact O-CB 3.29Å; L58-Y61 PolarHBondContact O-N 3.38Å
62	H	91.3	Very high	93.8	Very high	133 Å²	133	102.9 Å²	102.9	62%	0.616	56%	0.559	S	S	*	*	S	Bend	trans	-131.4	79.2	178.1	-64.6	-44.1	0	0	0	110.2	Q60 F64	Q60-H62 PolarHBondContact O-N 2.99Å; H62-F64 PolarHBondContact O-N 2.97Å
63	P	90.8	Very high	93.7	Very high	96 Å²	96	98.7 Å²	98.7	62%	0.623	55%	0.547	S	S	*	.			trans	-69.5	130.4	-178	28.6	-33.4	0	0	0	111
64	F	91.6	Very high	93.6	Very high	191 Å²	191	99.7 Å²	99.7	84%	0.838	56%	0.556	S	S	*	*	S	Bend	trans	-78.8	-29.7	174.3	-69.6	-71.2	0	0	0	113.1	H62	H62-F64 PolarHBondContact O-N 2.97Å
65	F	91.9	Very high	93.4	Very high	188 Å²	188	105.2 Å²	105.2	83%	0.825	58%	0.575	S	S	*	*	S	Bend	trans	-134.5	140	-176.6	-52.6	-73.7	0	0	0	110.5
66	G	91.9	Very high	93.2	Very high	65 Å²	65	107.6 Å²	107.6	67%	0.67	58%	0.577	S	S	*	*			trans	-90.4	166.2	170.9	0	0	0	0	0	112.5
67	P	94	Very high	93.2	Very high	116 Å²	116	105.3 Å²	105.3	75%	0.753	57%	0.569	S	S	*	*			trans	-67.6	135.4	176	28.3	-34.2	0	0	0	111.8	L69	P67-L69 HydrophobicContact CB-CG 4.49Å
68	S	93.9	Very high	93	Very high	128 Å²	128	108.7 Å²	108.7	90%	0.895	59%	0.587	S	S	*	*			trans	-96.6	113.9	171.7	-176.2	0	0	0	0	110.1
69	L	93.5	Very high	93	Very high	82 Å²	82	108.5 Å²	108.5	43%	0.429	58%	0.584	S	S	.	*			trans	-118.7	146.6	-172.5	-67.2	168.3	0	0	0	111.4	P67 I74 I77	P67-L69 HydrophobicContact CB-CG 4.49Å; L69-I74 HydrophobicContact CB-CD1 4.12Å; L69-I74 HydrophobicContact CB-CG1 3.67Å; L69-I74 HydrophobicContact CD1-CG1 4.48Å; L69-I74 WeakPolarHBondContact O-CD1 3.36Å; L69-I77 HydrophobicContact CD1-CD1 3.77Å
70	K	95.5	Very high	93	Very high	172 Å²	172	111.3 Å²	111.3	75%	0.748	58%	0.584	S	S	*	*			trans	-67.6	145.4	172.3	-65.3	-175.6	179.6	-178.1	0	110.1	G72 S73 I74	K70-G72 PolarHBondContact O-N 2.88Å; K70-G72 VanDerWaalsContact O-N 3.1Å; K70-S73 WeakPolarHBondContact O-CA 3.42Å; K70-S73 WeakPolarHBondContact O-CB 3.23Å; K70-S73 PolarHBondContact O-N 3.47Å; K70-I74 PolarHBondContact O-N 3.36Å
71	T	93.8	Very high	93	Very high	120 Å²	120	114.4 Å²	114.4	74%	0.736	59%	0.59	S	S	*	*	H	α-helix	trans	-53	-36.8	-179.8	-45.2	0	0	0	0	113.1	I74 R75	T71-I74 PolarHBondContact O-N 2.77Å; T71-R75 PolarHBondContact O-N 3.4Å
72	G	94.9	Very high	92.8	Very high	36 Å²	36	114.8 Å²	114.8	37%	0.371	60%	0.602	S	S	.	*	H	α-helix	trans	-61.2	-45	174.5	0	0	0	0	0	113.3	K70 R75 I76	K70-G72 PolarHBondContact O-N 2.88Å; K70-G72 VanDerWaalsContact O-N 3.1Å; G72-R75 PolarHBondContact O-N 2.94Å; G72-I76 WeakPolarHBondContact O-CG1 3.23Å; G72-I76 PolarHBondContact O-N 3.25Å; G72-I76 VanDerWaalsContact O-N 3.16Å
73	S	94.7	Very high	91.5	Very high	54 Å²	54	118.1 Å²	118.1	38%	0.378	61%	0.609	S	S	.	*	H	α-helix	trans	-66.4	-41.2	176.7	-54.8	0	0	0	0	111.6	K70 R75 I76 I77	K70-S73 WeakPolarHBondContact O-CA 3.42Å; K70-S73 WeakPolarHBondContact O-CB 3.23Å; K70-S73 PolarHBondContact O-N 3.47Å; S73-R75 VanDerWaalsContact C-N 3.34Å; S73-R75 PolarHBondContact O-N 3.26Å; S73-I76 PolarHBondContact O-N 3.49Å; S73-I77 VanDerWaalsContact O-CG1 3.31Å; S73-I77 WeakPolarHBondContact O-CG1 3.49Å; S73-I77 PolarHBondContact O-N 3.37Å
74	I	94	Very high	89.8	Confident	81 Å²	81	126.1 Å²	126.1	42%	0.415	63%	0.634	S	S	.	*	H	α-helix	trans	-58.9	-46	175.6	-63.7	172	0	0	0	110.5	L69 K70 T71 I76 I77 Q78	L69-I74 HydrophobicContact CB-CD1 4.12Å; L69-I74 HydrophobicContact CB-CG1 3.67Å; L69-I74 HydrophobicContact CD1-CG1 4.48Å; L69-I74 WeakPolarHBondContact O-CD1 3.36Å; K70-I74 PolarHBondContact O-N 3.36Å; T71-I74 PolarHBondContact O-N 2.77Å; I74-I76 VanDerWaalsContact C-N 3.34Å; I74-I76 PolarHBondContact O-N 3.33Å; I74-I77 PolarHBondContact O-N 3.34Å; I74-Q78 WeakPolarHBondContact O-CB 3.3Å; I74-Q78 PolarHBondContact O-N 3.03Å
75	R	92.7	Very high	89.7	Confident	141 Å²	141	122.9 Å²	122.9	53%	0.532	62%	0.624	S	S	.	*	H	α-helix	trans	-60.4	-42	177.4	-179.8	172.6	59.9	80.6	-4.3	112.4	T71 G72 S73 Q78 Q79	T71-R75 PolarHBondContact O-N 3.4Å; G72-R75 PolarHBondContact O-N 2.94Å; S73-R75 VanDerWaalsContact C-N 3.34Å; S73-R75 PolarHBondContact O-N 3.26Å; R75-Q78 PolarHBondContact O-N 3.27Å; R75-Q79 WeakPolarHBondContact O-CB 3.42Å; R75-Q79 VanDerWaalsContact O-CG 3.31Å; R75-Q79 WeakPolarHBondContact O-CG 3.44Å; R75-Q79 PolarHBondContact O-N 3.46Å
76	I	93.6	Very high	89.5	Confident	91 Å²	91	119.5 Å²	119.5	47%	0.467	61%	0.613	S	S	.	*	H	α-helix	trans	-64	-45.8	176.7	-66.9	168	0	0	0	110	G72 S73 I74 Q78 Q79 Q80	G72-I76 WeakPolarHBondContact O-CG1 3.23Å; G72-I76 PolarHBondContact O-N 3.25Å; G72-I76 VanDerWaalsContact O-N 3.16Å; S73-I76 PolarHBondContact O-N 3.49Å; I74-I76 VanDerWaalsContact C-N 3.34Å; I74-I76 PolarHBondContact O-N 3.33Å; I76-Q78 PolarHBondContact O-N 3.06Å; I76-Q79 PolarHBondContact O-N 2.88Å; I76-Q80 HydrophobicContact CG2-CG 4.27Å; I76-Q80 WeakPolarHBondContact O-CG 3.4Å; I76-Q80 PolarHBondContact O-N 2.71Å
77	I	93.9	Very high	89.4	Confident	73 Å²	73	122.5 Å²	122.5	37%	0.374	61%	0.61	S	S	.	*	H	α-helix	trans	-59.7	-47.9	178.1	-69.5	164.8	0	0	0	110.1	L69 S73 I74 Q79 Q80 W81	L69-I77 HydrophobicContact CD1-CD1 3.77Å; S73-I77 VanDerWaalsContact O-CG1 3.31Å; S73-I77 WeakPolarHBondContact O-CG1 3.49Å; S73-I77 PolarHBondContact O-N 3.37Å; I74-I77 PolarHBondContact O-N 3.34Å; I77-Q79 VanDerWaalsContact C-N 3.3Å; I77-Q79 PolarHBondContact O-N 3.45Å; I77-Q80 PolarHBondContact O-N 3.27Å; I77-W81 HydrophobicContact CG2-CG 4.26Å; I77-W81 WeakPolarHBondContact O-CB 3.12Å; I77-W81 PolarHBondContact O-N 3.05Å
78	Q	92	Very high	89.1	Confident	122 Å²	122	122.9 Å²	122.9	57%	0.57	60%	0.602	S	S	*	*	H	α-helix	trans	-58.1	-42	176.6	-171.2	179.6	-5.6	0	0	111.9	I74 R75 I76 Q80 T82	I74-Q78 WeakPolarHBondContact O-CB 3.3Å; I74-Q78 PolarHBondContact O-N 3.03Å; R75-Q78 PolarHBondContact O-N 3.27Å; I76-Q78 PolarHBondContact O-N 3.06Å; Q78-Q80 PolarHBondContact O-N 3.31Å; Q78-T82 WeakPolarHBondContact O-CB 3.37Å; Q78-T82 PolarHBondContact O-N 3.13Å; Q78-T82 VanDerWaalsContact O-N 3.14Å; Q78-T82 PolarHBondContact O-OG1 3.1Å
79	Q	93.5	Very high	88.8	Confident	87 Å²	87	122.6 Å²	122.6	41%	0.407	58%	0.583	S	S	.	*	H	α-helix	trans	-68.5	-31.1	178.3	-74.2	178.1	-19.9	0	0	114.2	R75 I76 I77 R83	R75-Q79 WeakPolarHBondContact O-CB 3.42Å; R75-Q79 VanDerWaalsContact O-CG 3.31Å; R75-Q79 WeakPolarHBondContact O-CG 3.44Å; R75-Q79 PolarHBondContact O-N 3.46Å; I76-Q79 PolarHBondContact O-N 2.88Å; I77-Q79 VanDerWaalsContact C-N 3.3Å; I77-Q79 PolarHBondContact O-N 3.45Å; Q79-R83 VanDerWaalsContact O-CD 3.28Å; Q79-R83 WeakPolarHBondContact O-CD 3.4Å; Q79-R83 WeakPolarHBondContact O-CG 3.48Å; Q79-R83 PolarHBondContact O-NE 3.49Å
80	Q	93.6	Very high	88.5	Confident	133 Å²	133	125.3 Å²	125.3	62%	0.621	59%	0.594	S	S	*	*	H	α-helix	trans	-89.8	-41.4	-176.8	-65.6	-57.9	-47.7	0	0	112.7	I76 I77 Q78	I76-Q80 HydrophobicContact CG2-CG 4.27Å; I76-Q80 WeakPolarHBondContact O-CG 3.4Å; I76-Q80 PolarHBondContact O-N 2.71Å; I77-Q80 PolarHBondContact O-N 3.27Å; Q78-Q80 PolarHBondContact O-N 3.31Å
81	W	92.2	Very high	88	Confident	206 Å²	206	121.9 Å²	121.9	78%	0.78	58%	0.582	S	S	*	*	H	α-helix	trans	-95.5	-24	-171.6	-60.5	85.8	0	0	0	113.1	I77 R83	I77-W81 HydrophobicContact CG2-CG 4.26Å; I77-W81 WeakPolarHBondContact O-CB 3.12Å; I77-W81 PolarHBondContact O-N 3.05Å; W81-R83 VanDerWaalsContact C-N 3.25Å; W81-R83 PolarHBondContact O-N 3.15Å
82	T	84.5	Confident	87.6	Confident	96 Å²	96	122.1 Å²	122.1	59%	0.589	57%	0.571	S	S	*	*	S	Bend	trans	-81.6	-2.3	172.4	-46.6	0	0	0	0	112.3	Q78 K84	Q78-T82 WeakPolarHBondContact O-CB 3.37Å; Q78-T82 PolarHBondContact O-N 3.13Å; Q78-T82 VanDerWaalsContact O-N 3.14Å; Q78-T82 PolarHBondContact O-OG1 3.1Å; T82-K84 PolarHBondContact O-N 3.2Å; T82-K84 VanDerWaalsContact O-N 3.15Å
83	R	64.5	Low	87	Confident	203 Å²	203	129.3 Å²	129.3	77%	0.766	59%	0.587	S	S	*	*			trans	-86.3	44.6	178.5	-82.7	-166.9	-168.4	-153.9	7.4	114.1	Q79 W81	Q79-R83 VanDerWaalsContact O-CD 3.28Å; Q79-R83 WeakPolarHBondContact O-CD 3.4Å; Q79-R83 WeakPolarHBondContact O-CG 3.48Å; Q79-R83 PolarHBondContact O-NE 3.49Å; W81-R83 VanDerWaalsContact C-N 3.25Å; W81-R83 PolarHBondContact O-N 3.15Å
84	K	54.8	Low	86.3	Confident	264 Å²	264	136.1 Å²	136.1	100%	1.148	61%	0.606	S	S	*	*			trans	-143.8	0	162	-73.1	-169.1	178.6	-176.5	0	108.7	T82	T82-K84 PolarHBondContact O-N 3.2Å; T82-K84 VanDerWaalsContact O-N 3.15Å

Retrieved 84 of 84 residues in 270.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).