A0A059QPZ6_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 3

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity of complex I.

AlphaFold DB , UniProt , Accession A0A059QPZ6, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 115 aa.

						>A0A059QPZ6_HUMAN|A0A059QPZ6|ND3
MNFALILMINTLLSLLLMIITFWLPQLNGYMEKSTPYECGFDPMSPARVPFSMKFFLVAITFLLFDLEIALLLPLPWALQTTNLPLMVMSSLLLIIILALSLAYEWLQKGLDWTE
					

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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	78.8	Confident	95.4	Very high	189 Å²	189	107.3 Å²	107.3	93%	0.931	57%	0.565	S	S	*	*				0	-49.1	0	-154.2	146.3	76.4	0	0	112	F3 A4 L5	M1-F3 PolarHBondContact O-N 3.48Å; M1-A4 PolarHBondContact O-N 3.34Å; M1-L5 HydrophobicContact CG-CD1 4.26Å; M1-L5 WeakPolarHBondContact O-CG 3.38Å; M1-L5 PolarHBondContact O-N 2.96Å
2	N	94.9	Very high	95.6	Very high	125 Å²	125	106.3 Å²	106.3	67%	0.668	56%	0.559	S	S	*	*	H	α-helix	trans	-57.1	-42.7	-178.9	-59.9	3.5	0	0	0	114.4	L5 I6	N2-L5 WeakPolarHBondContact O-CB 3.48Å; N2-L5 PolarHBondContact O-N 3.01Å; N2-I6 WeakPolarHBondContact O-CG1 3.45Å; N2-I6 PolarHBondContact O-N 3.22Å
3	F	95.7	Very high	95.8	Very high	154 Å²	154	105.6 Å²	105.6	68%	0.675	56%	0.555	S	S	*	*	H	α-helix	trans	-62.3	-44.6	176.6	-178.8	-108.2	0	0	0	112.6	M1 L5 I6 L7	M1-F3 PolarHBondContact O-N 3.48Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 2.94Å; F3-I6 PolarHBondContact O-N 3.46Å; F3-L7 HydrophobicContact CD1-CD1 3.95Å; F3-L7 HydrophobicContact CE1-CD1 3.4Å; F3-L7 HydrophobicContact CE1-CG 4.16Å; F3-L7 HydrophobicContact CE2-CG 4.49Å; F3-L7 HydrophobicContact CZ-CD1 3.73Å; F3-L7 HydrophobicContact CZ-CD2 4.36Å; F3-L7 HydrophobicContact CZ-CG 4.12Å; F3-L7 PolarHBondContact O-N 2.99Å
4	A	96.5	Very high	96	Very high	61 Å²	61	103.1 Å²	103.1	50%	0.504	55%	0.551	S	S	.	*	H	α-helix	trans	-63.1	-38	175.9	0	0	0	0	0	111.8	M1 L7 M8	M1-A4 PolarHBondContact O-N 3.34Å; A4-L7 PolarHBondContact O-N 3.2Å; A4-M8 WeakPolarHBondContact O-CB 3.47Å; A4-M8 PolarHBondContact O-N 2.72Å
5	L	97	Very high	96.1	Very high	84 Å²	84	102 Å²	102	44%	0.44	54%	0.544	S	S	.	.	H	α-helix	trans	-63.1	-42.3	174.2	-70.8	169.6	0	0	0	111.9	M1 N2 F3 M8 I9	M1-L5 HydrophobicContact CG-CD1 4.26Å; M1-L5 WeakPolarHBondContact O-CG 3.38Å; M1-L5 PolarHBondContact O-N 2.96Å; N2-L5 WeakPolarHBondContact O-CB 3.48Å; N2-L5 PolarHBondContact O-N 3.01Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 2.94Å; L5-M8 PolarHBondContact O-N 3.33Å; L5-I9 WeakPolarHBondContact O-CD1 3.31Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.22Å; L5-I9 PolarHBondContact O-N 3.27Å
6	I	97.6	Very high	96.2	Very high	92 Å²	92	101.4 Å²	101.4	47%	0.472	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-46.4	176.7	-67.7	163.4	0	0	0	110.8	N2 F3 M8 I9 N10	N2-I6 WeakPolarHBondContact O-CG1 3.45Å; N2-I6 PolarHBondContact O-N 3.22Å; F3-I6 PolarHBondContact O-N 3.46Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 3.4Å; I6-I9 PolarHBondContact O-N 2.96Å; I6-N10 VanDerWaalsContact O-CG 3.3Å; I6-N10 PolarHBondContact O-N 2.85Å; I6-N10 PolarHBondContact O-ND2 3.44Å
7	L	97.6	Very high	96.3	Very high	85 Å²	85	101.2 Å²	101.2	45%	0.445	54%	0.539	S	S	.	.	H	α-helix	trans	-61	-41.1	176.2	-70.9	177.3	0	0	0	111.9	F3 A4 N10 T11	F3-L7 HydrophobicContact CD1-CD1 3.95Å; F3-L7 HydrophobicContact CE1-CD1 3.4Å; F3-L7 HydrophobicContact CE1-CG 4.16Å; F3-L7 HydrophobicContact CE2-CG 4.49Å; F3-L7 HydrophobicContact CZ-CD1 3.73Å; F3-L7 HydrophobicContact CZ-CD2 4.36Å; F3-L7 HydrophobicContact CZ-CG 4.12Å; F3-L7 PolarHBondContact O-N 2.99Å; A4-L7 PolarHBondContact O-N 3.2Å; L7-N10 PolarHBondContact O-N 3.27Å; L7-T11 WeakPolarHBondContact O-CB 3.04Å; L7-T11 WeakPolarHBondContact O-CG2 3.29Å; L7-T11 PolarHBondContact O-N 3.47Å; L7-T11 PolarHBondContact O-OG1 2.94Å
8	M	97.8	Very high	96.3	Very high	111 Å²	111	100.9 Å²	100.9	55%	0.547	54%	0.535	S	S	.	.	H	α-helix	trans	-63.6	-44.6	176.7	-172.3	179.1	-177.3	0	0	111.7	A4 L5 I6 N10 T11 L12	A4-M8 WeakPolarHBondContact O-CB 3.47Å; A4-M8 PolarHBondContact O-N 2.72Å; L5-M8 PolarHBondContact O-N 3.33Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 3.4Å; M8-N10 PolarHBondContact O-N 3.35Å; M8-T11 WeakPolarHBondContact CA-OG1 3.44Å; M8-T11 PolarHBondContact O-N 3.14Å; M8-T11 PolarHBondContact O-OG1 3.47Å; M8-L12 HydrophobicContact CE-CD1 4.07Å; M8-L12 HydrophobicContact CG-CD1 3.89Å; M8-L12 HydrophobicContact CG-CG 4.43Å; M8-L12 VanDerWaalsContact O-CB 3.32Å; M8-L12 WeakPolarHBondContact O-CB 3.42Å; M8-L12 VanDerWaalsContact O-CG 3.22Å; M8-L12 WeakPolarHBondContact O-CG 3.27Å; M8-L12 PolarHBondContact O-N 3.49Å
9	I	97.8	Very high	96.3	Very high	108 Å²	108	100.7 Å²	100.7	55%	0.554	53%	0.533	S	S	*	.	H	α-helix	trans	-63.2	-44.5	178.1	-68.4	162.7	0	0	0	110.7	L5 I6 T11 L12 L13	L5-I9 WeakPolarHBondContact O-CD1 3.31Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.22Å; L5-I9 PolarHBondContact O-N 3.27Å; I6-I9 PolarHBondContact O-N 2.96Å; I9-T11 PolarHBondContact O-N 3.32Å; I9-L12 PolarHBondContact O-N 2.89Å; I9-L13 VanDerWaalsContact O-CB 3.32Å; I9-L13 WeakPolarHBondContact O-CB 3.46Å; I9-L13 PolarHBondContact O-N 3.28Å
10	N	98	Very high	96.4	Very high	95 Å²	95	99.5 Å²	99.5	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-63.8	-42.9	-179.3	-72.2	-15.7	0	0	0	112.4	I6 L7 M8 L13 S14	I6-N10 VanDerWaalsContact O-CG 3.3Å; I6-N10 PolarHBondContact O-N 2.85Å; I6-N10 PolarHBondContact O-ND2 3.44Å; L7-N10 PolarHBondContact O-N 3.27Å; M8-N10 PolarHBondContact O-N 3.35Å; N10-L13 PolarHBondContact O-N 3.44Å; N10-S14 PolarHBondContact O-N 3.33Å; N10-S14 PolarHBondContact O-OG 3.05Å
11	T	97.8	Very high	96.3	Very high	76 Å²	76	99.1 Å²	99.1	47%	0.466	53%	0.528	S	S	.	.	H	α-helix	trans	-69.5	-38.9	178	50.2	0	0	0	0	112.1	L7 M8 I9 S14 L15	L7-T11 WeakPolarHBondContact O-CB 3.04Å; L7-T11 WeakPolarHBondContact O-CG2 3.29Å; L7-T11 PolarHBondContact O-N 3.47Å; L7-T11 PolarHBondContact O-OG1 2.94Å; M8-T11 WeakPolarHBondContact CA-OG1 3.44Å; M8-T11 PolarHBondContact O-N 3.14Å; M8-T11 PolarHBondContact O-OG1 3.47Å; I9-T11 PolarHBondContact O-N 3.32Å; T11-S14 PolarHBondContact O-OG 2.92Å; T11-L15 WeakPolarHBondContact O-CB 3.42Å; T11-L15 VanDerWaalsContact O-CG 3.29Å; T11-L15 WeakPolarHBondContact O-CG 3.24Å; T11-L15 PolarHBondContact O-N 3.33Å
12	L	98.1	Very high	97	Very high	96 Å²	96	96.4 Å²	96.4	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-39.8	174.1	-74.3	172.3	0	0	0	112	M8 I9 L15 L16	M8-L12 HydrophobicContact CE-CD1 4.07Å; M8-L12 HydrophobicContact CG-CD1 3.89Å; M8-L12 HydrophobicContact CG-CG 4.43Å; M8-L12 VanDerWaalsContact O-CB 3.32Å; M8-L12 WeakPolarHBondContact O-CB 3.42Å; M8-L12 VanDerWaalsContact O-CG 3.22Å; M8-L12 WeakPolarHBondContact O-CG 3.27Å; M8-L12 PolarHBondContact O-N 3.49Å; I9-L12 PolarHBondContact O-N 2.89Å; L12-L15 PolarHBondContact O-N 3.48Å; L12-L16 VanDerWaalsContact O-CB 3.24Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.3Å
13	L	98.1	Very high	96.9	Very high	97 Å²	97	100.5 Å²	100.5	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-45.4	177.4	-174.5	72.2	0	0	0	111.4	I9 N10 L16 L17	I9-L13 VanDerWaalsContact O-CB 3.32Å; I9-L13 WeakPolarHBondContact O-CB 3.46Å; I9-L13 PolarHBondContact O-N 3.28Å; N10-L13 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 2.95Å; L13-L17 HydrophobicContact CG-CD1 4.43Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.25Å
14	S	97.9	Very high	96.8	Very high	70 Å²	70	99.8 Å²	99.8	49%	0.49	52%	0.52	S	S	.	.	H	α-helix	trans	-65.2	-39.4	178.3	65.4	0	0	0	0	112.2	N10 T11 M18	N10-S14 PolarHBondContact O-N 3.33Å; N10-S14 PolarHBondContact O-OG 3.05Å; T11-S14 PolarHBondContact O-OG 2.92Å; S14-M18 WeakPolarHBondContact O-CB 3.19Å; S14-M18 PolarHBondContact O-N 3.38Å
15	L	97.8	Very high	96.6	Very high	87 Å²	87	100 Å²	100	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-42.2	173.6	-75.3	168.8	0	0	0	112.1	T11 L12 M18 I19	T11-L15 WeakPolarHBondContact O-CB 3.42Å; T11-L15 VanDerWaalsContact O-CG 3.29Å; T11-L15 WeakPolarHBondContact O-CG 3.24Å; T11-L15 PolarHBondContact O-N 3.33Å; L12-L15 PolarHBondContact O-N 3.48Å; L15-M18 HydrophobicContact CD2-CE 4.27Å; L15-M18 WeakPolarHBondContact O-CB 3.28Å; L15-M18 PolarHBondContact O-N 3.38Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.31Å
16	L	97.9	Very high	96.1	Very high	93 Å²	93	104.1 Å²	104.1	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177.9	179.4	136.5	0	0	0	111.3	L12 L13 M18 I19 I20	L12-L16 VanDerWaalsContact O-CB 3.24Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.3Å; L13-L16 PolarHBondContact O-N 2.95Å; L16-M18 VanDerWaalsContact C-N 3.34Å; L16-M18 PolarHBondContact O-N 3.01Å; L16-I19 PolarHBondContact O-N 2.79Å; L16-I20 HydrophobicContact CD2-CD1 3.56Å; L16-I20 HydrophobicContact CG-CD1 4.18Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.08Å; L16-I20 PolarHBondContact O-N 2.98Å
17	L	97.6	Very high	95.5	Very high	97 Å²	97	106.3 Å²	106.3	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-62.6	-41.9	175.1	-70.2	173.3	0	0	0	111.7	L13 I19 I20 T21	L13-L17 HydrophobicContact CG-CD1 4.43Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.25Å; L17-I19 PolarHBondContact O-N 3.43Å; L17-I20 PolarHBondContact O-N 2.91Å; L17-T21 WeakPolarHBondContact O-CG2 3.48Å; L17-T21 PolarHBondContact O-N 2.88Å; L17-T21 PolarHBondContact O-OG1 3.49Å
18	M	97	Very high	94.9	Very high	96 Å²	96	105.8 Å²	105.8	47%	0.473	54%	0.543	S	S	.	.	H	α-helix	trans	-59.2	-44.9	174.3	-173.6	-154.5	-67.5	0	0	111.5	S14 L15 L16 I20 T21 F22	S14-M18 WeakPolarHBondContact O-CB 3.19Å; S14-M18 PolarHBondContact O-N 3.38Å; L15-M18 HydrophobicContact CD2-CE 4.27Å; L15-M18 WeakPolarHBondContact O-CB 3.28Å; L15-M18 PolarHBondContact O-N 3.38Å; L16-M18 VanDerWaalsContact C-N 3.34Å; L16-M18 PolarHBondContact O-N 3.01Å; M18-I20 VanDerWaalsContact C-N 3.34Å; M18-I20 PolarHBondContact O-N 3.3Å; M18-T21 PolarHBondContact O-N 3.5Å; M18-T21 PolarHBondContact O-OG1 2.94Å; M18-F22 HydrophobicContact CG-CD2 3.73Å; M18-F22 HydrophobicContact CG-CE2 3.62Å; M18-F22 VanDerWaalsContact O-CD2 3.24Å; M18-F22 WeakPolarHBondContact O-CD2 3.33Å; M18-F22 PolarHBondContact O-N 3.43Å; M18-F22 HydrophobicContact SD-CD2 4.49Å; M18-F22 HydrophobicContact SD-CE2 4.19Å
19	I	96.7	Very high	94.4	Very high	97 Å²	97	104.2 Å²	104.2	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-62.2	-44.8	177.3	-67.9	162.5	0	0	0	110	L15 L16 L17 T21 F22 W23	L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.31Å; L16-I19 PolarHBondContact O-N 2.79Å; L17-I19 PolarHBondContact O-N 3.43Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 2.99Å; I19-F22 PolarHBondContact O-N 3.3Å; I19-W23 HydrophobicContact CG2-CG 4.43Å; I19-W23 WeakPolarHBondContact O-CB 3.24Å; I19-W23 PolarHBondContact O-N 3.47Å
20	I	96.7	Very high	94	Very high	76 Å²	76	105.9 Å²	105.9	39%	0.39	56%	0.555	S	S	.	*	H	α-helix	trans	-60.1	-44.5	178.1	-66.9	165.6	0	0	0	110.6	L16 L17 M18 F22 W23 L24	L16-I20 HydrophobicContact CD2-CD1 3.56Å; L16-I20 HydrophobicContact CG-CD1 4.18Å; L16-I20 VanDerWaalsContact O-CG1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.08Å; L16-I20 PolarHBondContact O-N 2.98Å; L17-I20 PolarHBondContact O-N 2.91Å; M18-I20 VanDerWaalsContact C-N 3.34Å; M18-I20 PolarHBondContact O-N 3.3Å; I20-F22 PolarHBondContact O-N 2.88Å; I20-W23 PolarHBondContact O-N 3.46Å; I20-L24 HydrophobicContact CG2-CB 4.23Å; I20-L24 HydrophobicContact CG2-CD1 3.87Å; I20-L24 WeakPolarHBondContact O-CB 3.32Å; I20-L24 PolarHBondContact O-N 3.4Å
21	T	95.5	Very high	93.5	Very high	93 Å²	93	108.3 Å²	108.3	57%	0.571	57%	0.565	S	S	*	*	H	α-helix	trans	-69.1	-29.8	-178.5	57	0	0	0	0	113.8	L17 M18 I19 P25	L17-T21 WeakPolarHBondContact O-CG2 3.48Å; L17-T21 PolarHBondContact O-N 2.88Å; L17-T21 PolarHBondContact O-OG1 3.49Å; M18-T21 PolarHBondContact O-N 3.5Å; M18-T21 PolarHBondContact O-OG1 2.94Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 2.99Å; T21-P25 WeakPolarHBondContact O-CD 3.34Å; T21-P25 WeakPolarHBondContact O-CG 3.38Å
22	F	92.8	Very high	92.9	Very high	131 Å²	131	112 Å²	112	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-79.5	-34.9	175.3	-83.2	-71	0	0	0	113.4	M18 I19 I20	M18-F22 HydrophobicContact CG-CD2 3.73Å; M18-F22 HydrophobicContact CG-CE2 3.62Å; M18-F22 VanDerWaalsContact O-CD2 3.24Å; M18-F22 WeakPolarHBondContact O-CD2 3.33Å; M18-F22 PolarHBondContact O-N 3.43Å; M18-F22 HydrophobicContact SD-CD2 4.49Å; M18-F22 HydrophobicContact SD-CE2 4.19Å; I19-F22 PolarHBondContact O-N 3.3Å; I20-F22 PolarHBondContact O-N 2.88Å
23	W	93.1	Very high	92.3	Very high	212 Å²	212	114.5 Å²	114.5	80%	0.803	58%	0.584	S	S	*	*	H	α-helix	trans	-101.6	-22.8	-169.1	-68.9	83.7	0	0	0	114.7	I19 I20	I19-W23 HydrophobicContact CG2-CG 4.43Å; I19-W23 WeakPolarHBondContact O-CB 3.24Å; I19-W23 PolarHBondContact O-N 3.47Å; I20-W23 PolarHBondContact O-N 3.46Å
24	L	93.8	Very high	91.9	Very high	138 Å²	138	114.1 Å²	114.1	72%	0.723	59%	0.589	S	S	*	*	S	Bend	trans	-76.8	-38.8	-179.6	-165.9	147	0	0	0	113.8	I20	I20-L24 HydrophobicContact CG2-CB 4.23Å; I20-L24 HydrophobicContact CG2-CD1 3.87Å; I20-L24 WeakPolarHBondContact O-CB 3.32Å; I20-L24 PolarHBondContact O-N 3.4Å
25	P	92.2	Very high	91.5	Very high	66 Å²	66	113.2 Å²	113.2	43%	0.429	58%	0.581	S	S	.	*	S	Bend	trans	-73.1	150.3	179.1	-18.2	33.1	0	0	0	113.2	T21 L27	T21-P25 WeakPolarHBondContact O-CD 3.34Å; T21-P25 WeakPolarHBondContact O-CG 3.38Å; P25-L27 PolarHBondContact O-N 3.49Å
26	Q	86.3	Confident	91.1	Very high	170 Å²	170	113.5 Å²	113.5	79%	0.794	59%	0.588	S	S	*	*			trans	-76.7	114.2	171.2	-170.1	171.6	-7.3	0	0	110.6	N28	Q26-N28 PolarHBondContact O-N 2.98Å
27	L	84.6	Confident	90.6	Very high	139 Å²	139	117.6 Å²	117.6	73%	0.728	60%	0.598	S	S	*	*			trans	-90.8	95.5	-177.2	-62	173.2	0	0	0	111.2	P25	P25-L27 PolarHBondContact O-N 3.49Å
28	N	85.9	Confident	90.3	Very high	74 Å²	74	117.5 Å²	117.5	40%	0.396	60%	0.595	S	S	.	*			trans	-100	95.2	167.9	-70	-1.1	0	0	0	109.5	Q26 Y30 K33	Q26-N28 PolarHBondContact O-N 2.98Å; N28-Y30 HydrophobicContact CB-CE2 3.76Å; N28-K33 WeakPolarHBondContact O-CD 3.49Å; N28-K33 PolarHBondContact O-NZ 2.84Å
29	G	85.8	Confident	89.8	Confident	77 Å²	77	118.8 Å²	118.8	79%	0.794	61%	0.612	S	S	*	*			trans	-82.6	114.6	178.8	0	0	0	0	0	112.3
30	Y	89.8	Confident	89.3	Confident	144 Å²	144	117 Å²	117	57%	0.565	62%	0.618	S	S	*	*			trans	-122	153.7	169.4	-54.4	-73.7	0	0	0	108.4	N28 E32 K33 S34	N28-Y30 HydrophobicContact CB-CE2 3.76Å; Y30-E32 VanDerWaalsContact C-N 3.27Å; Y30-E32 PolarHBondContact O-N 3.04Å; Y30-K33 HydrophobicContact CD2-CD 4.2Å; Y30-K33 PolarHBondContact O-N 3.05Å; Y30-S34 PolarHBondContact O-N 2.99Å; Y30-S34 PolarHBondContact O-OG 3.42Å
31	M	87.3	Confident	88.8	Confident	146 Å²	146	120.8 Å²	120.8	72%	0.719	63%	0.632	S	S	*	*	H	α-helix	trans	-50	-47.2	-177.4	-73.3	-62.8	-65.9	0	0	112.2	K33 S34 T35	M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 3.07Å; M31-S34 WeakPolarHBondContact CA-OG 3.42Å; M31-S34 CarbonylContact O-C 3.55Å; M31-S34 WeakPolarHBondContact O-CA 3.41Å; M31-S34 PolarHBondContact O-N 2.98Å; M31-S34 PolarHBondContact O-OG 3.33Å; M31-T35 WeakPolarHBondContact O-CG2 3.44Å; M31-T35 PolarHBondContact O-N 3.13Å; M31-T35 PolarHBondContact O-OG1 3.34Å
32	E	85.6	Confident	88.5	Confident	154 Å²	154	122.3 Å²	122.3	72%	0.72	64%	0.637	S	S	*	*	H	α-helix	trans	-63.4	-24.2	-179.9	-56.7	-59.8	164.9	0	0	114.9	Y30 S34 T35	Y30-E32 VanDerWaalsContact C-N 3.27Å; Y30-E32 PolarHBondContact O-N 3.04Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-T35 WeakPolarHBondContact CA-OG1 3.43Å; E32-T35 PolarHBondContact O-OG1 3.2Å
33	K	86.8	Confident	88.3	Confident	147 Å²	147	118.8 Å²	118.8	64%	0.639	63%	0.627	S	S	*	*	H	α-helix	trans	-82.5	-18.3	174.2	-70.8	-174.5	179.8	178.9	0	112.4	N28 Y30 M31	N28-K33 WeakPolarHBondContact O-CD 3.49Å; N28-K33 PolarHBondContact O-NZ 2.84Å; Y30-K33 HydrophobicContact CD2-CD 4.2Å; Y30-K33 PolarHBondContact O-N 3.05Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 3.07Å
34	S	89.3	Confident	87.9	Confident	89 Å²	89	116.9 Å²	116.9	62%	0.622	63%	0.629	S	S	*	*	H	α-helix	trans	-102.1	-10.3	-178.1	60.5	0	0	0	0	113.4	Y30 M31 E32	Y30-S34 PolarHBondContact O-N 2.99Å; Y30-S34 PolarHBondContact O-OG 3.42Å; M31-S34 WeakPolarHBondContact CA-OG 3.42Å; M31-S34 CarbonylContact O-C 3.55Å; M31-S34 WeakPolarHBondContact O-CA 3.41Å; M31-S34 PolarHBondContact O-N 2.98Å; M31-S34 PolarHBondContact O-OG 3.33Å; E32-S34 VanDerWaalsContact C-N 3.34Å
35	T	89.4	Confident	87.4	Confident	51 Å²	51	113.3 Å²	113.3	31%	0.313	62%	0.616	S	S	.	*	S	Bend	trans	-78.7	143.6	174.8	44	0	0	0	0	110.9	M31 E32	M31-T35 WeakPolarHBondContact O-CG2 3.44Å; M31-T35 PolarHBondContact O-N 3.13Å; M31-T35 PolarHBondContact O-OG1 3.34Å; E32-T35 WeakPolarHBondContact CA-OG1 3.43Å; E32-T35 PolarHBondContact O-OG1 3.2Å
36	P	89.6	Confident	87.1	Confident	93 Å²	93	114.8 Å²	114.8	60%	0.604	63%	0.625	S	S	*	*			trans	-67.9	145.8	170.9	30.1	-34.1	0	0	0	109.9	P43	P36-P43 HydrophobicContact CG-CG 4.17Å; P36-P43 WeakPolarHBondContact O-CD 3.48Å
37	Y	87.8	Confident	86.8	Confident	179 Å²	179	111.9 Å²	111.9	70%	0.702	63%	0.63	S	S	*	*			trans	-133.9	147.5	175.6	63.9	-89.5	0	0	0	110.6	F41	Y37-F41 CarbonylContact C-O 3.51Å; Y37-F41 VanDerWaalsContact CA-O 3.28Å; Y37-F41 WeakPolarHBondContact CA-O 3.49Å
38	E	89.4	Confident	86.7	Confident	96 Å²	96	116.6 Å²	116.6	45%	0.449	64%	0.638	S	S	.	*	B	Isolated β-bridge	trans	-118.1	105.1	176.4	-170.8	173.4	-173.3	0	0	108	G40 F41 M44	E38-G40 PolarHBondContact O-N 3.03Å; E38-G40 VanDerWaalsContact O-N 3.13Å; E38-F41 PolarHBondContact N-O 2.96Å; E38-F41 PolarHBondContact O-N 3.22Å; E38-M44 PolarHBondContact OE2-N 3.18Å
39	C	86.9	Confident	86.5	Confident	122 Å²	122	117.8 Å²	117.8	82%	0.824	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.4	30.2	-178.6	-60.3	0	0	0	0	114.7	F41	C39-F41 WeakPolarHBondContact O-CD2 3.24Å
40	G	86.6	Confident	86.4	Confident	61 Å²	61	120.3 Å²	120.3	63%	0.629	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.8	7	-179	0	0	0	0	0	114.6	E38	E38-G40 PolarHBondContact O-N 3.03Å; E38-G40 VanDerWaalsContact O-N 3.13Å
41	F	87.1	Confident	85.9	Confident	154 Å²	154	120.3 Å²	120.3	68%	0.675	65%	0.653	S	S	*	*	B	Isolated β-bridge	trans	-118.3	167.7	175.9	-60.6	-84.5	0	0	0	111.2	Y37 E38 C39	Y37-F41 CarbonylContact C-O 3.51Å; Y37-F41 VanDerWaalsContact CA-O 3.28Å; Y37-F41 WeakPolarHBondContact CA-O 3.49Å; E38-F41 PolarHBondContact N-O 2.96Å; E38-F41 PolarHBondContact O-N 3.22Å; C39-F41 WeakPolarHBondContact O-CD2 3.24Å
42	D	88.9	Confident	85.8	Confident	125 Å²	125	115.6 Å²	115.6	67%	0.668	64%	0.635	S	S	*	*			trans	-63.3	141	169.2	-66.7	-37.9	0	0	0	110.3	M44	D42-M44 PolarHBondContact O-N 2.96Å
43	P	88.9	Confident	85.7	Confident	57 Å²	57	115 Å²	115	37%	0.37	63%	0.634	S	S	.	*			trans	-62.1	131.5	-177.2	25.8	-34.7	0	0	0	111.1	P36 S45	P36-P43 HydrophobicContact CG-CG 4.17Å; P36-P43 WeakPolarHBondContact O-CD 3.48Å; P43-S45 VanDerWaalsContact C-N 3.31Å; P43-S45 PolarHBondContact O-N 3.43Å
44	M	84.3	Confident	85.6	Confident	173 Å²	173	112.5 Å²	112.5	85%	0.852	62%	0.623	S	S	*	*	S	Bend	trans	-75.5	-22.7	-177.7	-70.3	-68.1	-162.5	0	0	112.9	E38 D42	E38-M44 PolarHBondContact OE2-N 3.18Å; D42-M44 PolarHBondContact O-N 2.96Å
45	S	83.8	Confident	85.4	Confident	62 Å²	62	113.4 Å²	113.4	43%	0.434	62%	0.616	S	S	.	*	S	Bend	trans	-143.9	157.1	-179.4	70.6	0	0	0	0	110.3	P43	P43-S45 VanDerWaalsContact C-N 3.31Å; P43-S45 PolarHBondContact O-N 3.43Å
46	P	84.1	Confident	85.4	Confident	98 Å²	98	116.1 Å²	116.1	64%	0.636	62%	0.624	S	S	*	*			trans	-62.1	140.9	173.3	27	-34.9	0	0	0	110.5	R48	P46-R48 PolarHBondContact O-N 3.26Å
47	A	81.9	Confident	85.4	Confident	108 Å²	108	115 Å²	115	89%	0.893	61%	0.612	S	S	*	*	S	Bend	trans	-60	-15.8	178.3	0	0	0	0	0	114.4
48	R	82.6	Confident	85.5	Confident	238 Å²	238	109 Å²	109	90%	0.898	59%	0.594	S	S	*	*			trans	-96.6	91.2	174.2	-65.4	-171.4	-175.8	-168.6	2.1	109.6	P46	P46-R48 PolarHBondContact O-N 3.26Å
49	V	81.1	Confident	85.7	Confident	99 Å²	99	106.9 Å²	106.9	60%	0.6	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-94.1	154	173	-69.4	0	0	0	0	110.9	F51	V49-F51 PolarHBondContact O-N 2.98Å
50	P	82.9	Confident	86	Confident	130 Å²	130	104.7 Å²	104.7	84%	0.844	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-55.2	131.3	171.7	23.4	-33.3	0	0	0	110.3
51	F	79.5	Confident	86.3	Confident	144 Å²	144	102.9 Å²	102.9	63%	0.632	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-78.7	144.8	-176.4	-173.4	-108.6	0	0	0	111.1	V49 F55 F56	V49-F51 PolarHBondContact O-N 2.98Å; F51-F55 HydrophobicContact CE1-CB 3.48Å; F51-F55 VanDerWaalsContact CE1-CB 3.48Å; F51-F55 HydrophobicContact CE2-CB 3.96Å; F51-F55 HydrophobicContact CE2-CD2 4.03Å; F51-F55 HydrophobicContact CE2-CG 4.34Å; F51-F55 HydrophobicContact CZ-CB 3.16Å; F51-F55 HydrophobicContact CZ-CD2 4.1Å; F51-F55 AromaticContact CZ-CG 3.99Å; F51-F55 HydrophobicContact CZ-CG 3.99Å; F51-F56 HydrophobicContact CE1-CB 4.15Å
52	S	84.8	Confident	86.6	Confident	47 Å²	47	102.2 Å²	102.2	33%	0.329	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-73.6	134.2	178.7	89.4	0	0	0	0	110.6	K54 F55	S52-K54 PolarHBondContact O-N 3.46Å; S52-F55 PolarHBondContact O-N 3.5Å; S52-F55 WeakPolarHBondContact OG-CD2 3.47Å; S52-F55 WeakPolarHBondContact OG-CE2 3.34Å; S52-F55 PolarHBondContact OG-N 3.5Å
53	M	84.3	Confident	87	Confident	143 Å²	143	101.1 Å²	101.1	70%	0.704	54%	0.54	S	S	*	.	H	α-helix	trans	-64.2	-21.9	177.4	-69.1	-61.8	-71.2	0	0	112.6	F56 L57	M53-F56 HydrophobicContact CE-CD1 4.15Å; M53-F56 WeakPolarHBondContact O-CB 3.49Å; M53-F56 PolarHBondContact O-N 3Å; M53-L57 PolarHBondContact O-N 3.13Å
54	K	84.8	Confident	87.3	Confident	94 Å²	94	102.7 Å²	102.7	41%	0.409	55%	0.545	S	S	.	.	H	α-helix	trans	-63.9	-46.4	177.8	-64.4	-172.1	-179.5	-172	0	111.4	S52 F56 L57 V58 T114	S52-K54 PolarHBondContact O-N 3.46Å; K54-F56 PolarHBondContact O-N 3.17Å; K54-L57 PolarHBondContact O-N 3.2Å; K54-V58 WeakPolarHBondContact O-CG2 3.49Å; K54-V58 PolarHBondContact O-N 3.32Å; K54-V58 VanDerWaalsContact O-N 3.13Å; K54-T114 PolarHBondContact NZ-O 3.14Å; K54-T114 PolarHBondContact NZ-OG1 3.06Å
55	F	85.3	Confident	87.8	Confident	108 Å²	108	96.5 Å²	96.5	47%	0.474	51%	0.513	S	S	.	.	H	α-helix	trans	-65.3	-31.4	176.5	-68.2	-54.9	0	0	0	112.3	F51 S52 A59 W113	F51-F55 HydrophobicContact CE1-CB 3.48Å; F51-F55 VanDerWaalsContact CE1-CB 3.48Å; F51-F55 HydrophobicContact CE2-CB 3.96Å; F51-F55 HydrophobicContact CE2-CD2 4.03Å; F51-F55 HydrophobicContact CE2-CG 4.34Å; F51-F55 HydrophobicContact CZ-CB 3.16Å; F51-F55 HydrophobicContact CZ-CD2 4.1Å; F51-F55 AromaticContact CZ-CG 3.99Å; F51-F55 HydrophobicContact CZ-CG 3.99Å; S52-F55 PolarHBondContact O-N 3.5Å; S52-F55 WeakPolarHBondContact OG-CD2 3.47Å; S52-F55 WeakPolarHBondContact OG-CE2 3.34Å; S52-F55 PolarHBondContact OG-N 3.5Å; F55-A59 PolarHBondContact O-N 3.21Å; F55-W113 HydrophobicContact CE1-CH2 4.32Å
56	F	88.6	Confident	88.4	Confident	108 Å²	108	97.7 Å²	97.7	47%	0.474	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-41.7	174.7	176.3	-104.9	0	0	0	111.9	F51 M53 K54 A59 I60	F51-F56 HydrophobicContact CE1-CB 4.15Å; M53-F56 HydrophobicContact CE-CD1 4.15Å; M53-F56 WeakPolarHBondContact O-CB 3.49Å; M53-F56 PolarHBondContact O-N 3Å; K54-F56 PolarHBondContact O-N 3.17Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.01Å; F56-I60 HydrophobicContact CD1-CD1 3.94Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.36Å; F56-I60 HydrophobicContact CE2-CD1 4.21Å; F56-I60 HydrophobicContact CZ-CD1 3.48Å; F56-I60 VanDerWaalsContact CZ-CD1 3.48Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 PolarHBondContact O-N 3.28Å; F56-I60 VanDerWaalsContact O-N 3.13Å
57	L	89.5	Confident	89	Confident	70 Å²	70	98 Å²	98	37%	0.366	51%	0.511	S	S	.	.	H	α-helix	trans	-62.1	-45.2	177.1	-164.2	154.5	0	0	0	111	M53 K54 A59 I60 T61 E105	M53-L57 PolarHBondContact O-N 3.13Å; K54-L57 PolarHBondContact O-N 3.2Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 3.35Å; L57-I60 PolarHBondContact O-N 3.49Å; L57-I60 VanDerWaalsContact O-N 3.17Å; L57-T61 HydrophobicContact CD2-CG2 4.14Å; L57-T61 PolarHBondContact O-N 3.06Å; L57-T61 PolarHBondContact O-OG1 3.35Å; L57-E105 HydrophobicContact CD2-CG 4.49Å; L57-E105 WeakPolarHBondContact CD2-OE1 3.33Å
58	V	90.9	Very high	89.6	Confident	51 Å²	51	94.9 Å²	94.9	31%	0.309	48%	0.477	S	S	.	.	H	α-helix	trans	-59.6	-38.1	174.6	175.2	0	0	0	0	112	K54 T61 F62	K54-V58 WeakPolarHBondContact O-CG2 3.49Å; K54-V58 PolarHBondContact O-N 3.32Å; K54-V58 VanDerWaalsContact O-N 3.13Å; V58-T61 PolarHBondContact O-N 3.03Å; V58-T61 PolarHBondContact O-OG1 3.13Å; V58-F62 VanDerWaalsContact O-CB 3.28Å; V58-F62 WeakPolarHBondContact O-CB 3.48Å; V58-F62 PolarHBondContact O-N 3.18Å
59	A	92.6	Very high	90.3	Very high	53 Å²	53	88 Å²	88	44%	0.438	46%	0.457	S	S	.	.	H	α-helix	trans	-66	-37.4	177.9	0	0	0	0	0	112.5	F55 F56 L57 L63	F55-A59 PolarHBondContact O-N 3.21Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.01Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 3.35Å; A59-L63 WeakPolarHBondContact O-CB 3.43Å; A59-L63 PolarHBondContact O-N 3.35Å
60	I	93.5	Very high	91	Very high	75 Å²	75	86 Å²	86	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-67.7	-44.9	175.5	-68.7	170.2	0	0	0	110.5	F56 L57 F62 L63 L64	F56-I60 HydrophobicContact CD1-CD1 3.94Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.36Å; F56-I60 HydrophobicContact CE2-CD1 4.21Å; F56-I60 HydrophobicContact CZ-CD1 3.48Å; F56-I60 VanDerWaalsContact CZ-CD1 3.48Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 PolarHBondContact O-N 3.28Å; F56-I60 VanDerWaalsContact O-N 3.13Å; L57-I60 PolarHBondContact O-N 3.49Å; L57-I60 VanDerWaalsContact O-N 3.17Å; I60-F62 VanDerWaalsContact C-N 3.34Å; I60-L63 WeakPolarHBondContact O-CB 3.46Å; I60-L63 PolarHBondContact O-N 2.91Å; I60-L63 VanDerWaalsContact O-N 3.14Å; I60-L64 HydrophobicContact CG2-CD1 4.25Å; I60-L64 WeakPolarHBondContact O-CG 3.42Å; I60-L64 PolarHBondContact O-N 3.16Å
61	T	92.8	Very high	91.6	Very high	23 Å²	23	85.4 Å²	85.4	14%	0.141	44%	0.441	C	S	.	.	H	α-helix	trans	-70.2	-34.2	-177.9	57.4	0	0	0	0	112	L57 V58 L63 L64 F65 E105	L57-T61 HydrophobicContact CD2-CG2 4.14Å; L57-T61 PolarHBondContact O-N 3.06Å; L57-T61 PolarHBondContact O-OG1 3.35Å; V58-T61 PolarHBondContact O-N 3.03Å; V58-T61 PolarHBondContact O-OG1 3.13Å; T61-L63 PolarHBondContact O-N 3.15Å; T61-L64 PolarHBondContact O-N 3.25Å; T61-F65 WeakPolarHBondContact O-CD2 3.44Å; T61-F65 WeakPolarHBondContact O-CG 2.89Å; T61-F65 PolarHBondContact O-N 3.27Å; T61-E105 VanDerWaalsContact CB-OE1 3.29Å; T61-E105 WeakPolarHBondContact CB-OE1 3.38Å; T61-E105 VanDerWaalsContact CB-OE2 3.31Å; T61-E105 WeakPolarHBondContact CB-OE2 3.48Å; T61-E105 HydrophobicContact CG2-CG 4.34Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.44Å; T61-E105 VanDerWaalsContact CG2-OE2 3.32Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.45Å; T61-E105 PolarHBondContact OG1-OE1 2.96Å
62	F	94.6	Very high	92.4	Very high	141 Å²	141	80.3 Å²	80.3	62%	0.618	42%	0.42	S	S	*	.	H	α-helix	trans	-56.5	-48	165.3	172.1	-103	0	0	0	112.5	V58 I60 L64 F65 D66	V58-F62 VanDerWaalsContact O-CB 3.28Å; V58-F62 WeakPolarHBondContact O-CB 3.48Å; V58-F62 PolarHBondContact O-N 3.18Å; I60-F62 VanDerWaalsContact C-N 3.34Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.48Å; F62-F65 PolarHBondContact O-N 3.22Å; F62-D66 WeakPolarHBondContact O-CB 3.24Å; F62-D66 PolarHBondContact O-N 3.45Å
63	L	95.8	Very high	92.9	Very high	102 Å²	102	83.6 Å²	83.6	53%	0.534	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-41.7	-179.8	-177.2	152.4	0	0	0	112.2	A59 I60 T61 D66 L67	A59-L63 WeakPolarHBondContact O-CB 3.43Å; A59-L63 PolarHBondContact O-N 3.35Å; I60-L63 WeakPolarHBondContact O-CB 3.46Å; I60-L63 PolarHBondContact O-N 2.91Å; I60-L63 VanDerWaalsContact O-N 3.14Å; T61-L63 PolarHBondContact O-N 3.15Å; L63-D66 PolarHBondContact O-N 3.47Å; L63-L67 HydrophobicContact CD2-CD1 4.05Å; L63-L67 PolarHBondContact O-N 3.34Å
64	L	95.3	Very high	93.4	Very high	90 Å²	90	79.5 Å²	79.5	47%	0.471	42%	0.417	S	S	.	.	H	α-helix	trans	-65.7	-45.3	177.3	-67.9	175.6	0	0	0	111.6	I60 T61 F62 D66 L67 E68	I60-L64 HydrophobicContact CG2-CD1 4.25Å; I60-L64 WeakPolarHBondContact O-CG 3.42Å; I60-L64 PolarHBondContact O-N 3.16Å; T61-L64 PolarHBondContact O-N 3.25Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.48Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 2.88Å; L64-L67 WeakPolarHBondContact O-CB 3.46Å; L64-L67 PolarHBondContact O-N 2.99Å; L64-E68 PolarHBondContact O-N 3.4Å; L64-E68 VanDerWaalsContact O-N 3.15Å
65	F	95.6	Very high	93.8	Very high	42 Å²	42	77.5 Å²	77.5	18%	0.184	41%	0.411	C	S	.	.	H	α-helix	trans	-66.5	-32.9	176.9	-67.4	-29.6	0	0	0	113	T61 F62 L67 E68 I69 L98 L102	T61-F65 WeakPolarHBondContact O-CD2 3.44Å; T61-F65 WeakPolarHBondContact O-CG 2.89Å; T61-F65 PolarHBondContact O-N 3.27Å; F62-F65 PolarHBondContact O-N 3.22Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 3.43Å; F65-E68 PolarHBondContact O-N 2.9Å; F65-I69 WeakPolarHBondContact O-CB 3.49Å; F65-I69 VanDerWaalsContact O-CG1 3.24Å; F65-I69 WeakPolarHBondContact O-CG1 3.4Å; F65-I69 PolarHBondContact O-N 3.41Å; F65-L98 HydrophobicContact CD1-CG 4.25Å; F65-L98 HydrophobicContact CE1-CG 4.45Å; F65-L102 HydrophobicContact CE2-CD1 3.81Å; F65-L102 HydrophobicContact CZ-CB 3.93Å; F65-L102 HydrophobicContact CZ-CD1 3.92Å
66	D	96.9	Very high	94.2	Very high	88 Å²	88	76.4 Å²	76.4	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-63.7	-39.3	175.1	-165.9	36.2	0	0	0	111.5	F62 L63 L64 I69 A70	F62-D66 WeakPolarHBondContact O-CB 3.24Å; F62-D66 PolarHBondContact O-N 3.45Å; L63-D66 PolarHBondContact O-N 3.47Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 2.88Å; D66-I69 PolarHBondContact O-N 2.85Å; D66-A70 WeakPolarHBondContact O-CB 3.28Å; D66-A70 PolarHBondContact O-N 2.9Å
67	L	96.4	Very high	94.5	Very high	105 Å²	105	80 Å²	80	55%	0.55	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-42.1	172.9	-70.5	173	0	0	0	112.3	L63 L64 F65 A70 L71	L63-L67 HydrophobicContact CD2-CD1 4.05Å; L63-L67 PolarHBondContact O-N 3.34Å; L64-L67 WeakPolarHBondContact O-CB 3.46Å; L64-L67 PolarHBondContact O-N 2.99Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 3.43Å; L67-A70 WeakPolarHBondContact O-CB 3.38Å; L67-A70 PolarHBondContact O-N 2.96Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 2.94Å; L67-L71 VanDerWaalsContact O-N 3.16Å
68	E	94.8	Very high	94.7	Very high	42 Å²	42	77.9 Å²	77.9	20%	0.196	42%	0.418	C	S	.	.	H	α-helix	trans	-68.5	-37.6	177.5	-67.5	-177.3	172.1	0	0	112.3	L64 F65 A70 L71 L72 L94 L98	L64-E68 PolarHBondContact O-N 3.4Å; L64-E68 VanDerWaalsContact O-N 3.15Å; F65-E68 PolarHBondContact O-N 2.9Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-L71 WeakPolarHBondContact O-CB 2.99Å; E68-L71 PolarHBondContact O-N 3Å; E68-L72 PolarHBondContact O-N 3.09Å; E68-L72 VanDerWaalsContact O-N 3.08Å; E68-L94 HydrophobicContact CB-CD2 4.4Å; E68-L98 HydrophobicContact CB-CD1 3.98Å; E68-L98 WeakPolarHBondContact OE2-CA 3.48Å; E68-L98 VanDerWaalsContact OE2-CB 3.24Å; E68-L98 WeakPolarHBondContact OE2-CB 3.33Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.44Å; E68-L98 WeakPolarHBondContact OE2-CG 3.37Å
69	I	95.9	Very high	94.7	Very high	92 Å²	92	80.7 Å²	80.7	47%	0.472	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-40.2	173.1	-69.5	165.3	0	0	0	110.6	F65 D66 L71 L72 L73	F65-I69 WeakPolarHBondContact O-CB 3.49Å; F65-I69 VanDerWaalsContact O-CG1 3.24Å; F65-I69 WeakPolarHBondContact O-CG1 3.4Å; F65-I69 PolarHBondContact O-N 3.41Å; D66-I69 PolarHBondContact O-N 2.85Å; I69-L71 PolarHBondContact O-N 3.26Å; I69-L72 CarbonylContact O-C 3.58Å; I69-L72 PolarHBondContact O-N 3.42Å; I69-L73 PolarHBondContact O-N 2.92Å
70	A	96.9	Very high	94.7	Very high	59 Å²	59	86.1 Å²	86.1	49%	0.488	45%	0.447	S	S	.	.	H	α-helix	trans	-59.8	-35.7	174.6	0	0	0	0	0	112	D66 L67 E68 P74	D66-A70 WeakPolarHBondContact O-CB 3.28Å; D66-A70 PolarHBondContact O-N 2.9Å; L67-A70 WeakPolarHBondContact O-CB 3.38Å; L67-A70 PolarHBondContact O-N 2.96Å; E68-A70 VanDerWaalsContact C-N 3.34Å; A70-P74 WeakPolarHBondContact O-CD 3.4Å
71	L	95.1	Very high	94.8	Very high	116 Å²	116	85.7 Å²	85.7	61%	0.607	45%	0.448	S	S	*	.	H	α-helix	trans	-70.5	-28.3	173.2	-66.4	171.6	0	0	0	113.3	L67 E68 I69 P74 L94	L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 2.94Å; L67-L71 VanDerWaalsContact O-N 3.16Å; E68-L71 WeakPolarHBondContact O-CB 2.99Å; E68-L71 PolarHBondContact O-N 3Å; I69-L71 PolarHBondContact O-N 3.26Å; L71-P74 WeakPolarHBondContact O-CD 3.29Å; L71-P74 WeakPolarHBondContact O-CG 3.14Å; L71-L94 HydrophobicContact CB-CD1 3.87Å; L71-L94 HydrophobicContact CD1-CD1 4.45Å
72	L	95.6	Very high	94.7	Very high	37 Å²	37	91 Å²	91	19%	0.194	48%	0.48	C	S	.	.	H	α-helix	trans	-82.4	-23	176	-70.5	175.3	0	0	0	113.7	E68 I69 P74 L75 L94 I95 L98	E68-L72 PolarHBondContact O-N 3.09Å; E68-L72 VanDerWaalsContact O-N 3.08Å; I69-L72 CarbonylContact O-C 3.58Å; I69-L72 PolarHBondContact O-N 3.42Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; L72-L75 HydrophobicContact CB-CD1 4.32Å; L72-L75 HydrophobicContact CD2-CD1 3.73Å; L72-L75 HydrophobicContact CD2-CG 4.46Å; L72-L75 VanDerWaalsContact O-CB 3.32Å; L72-L75 WeakPolarHBondContact O-CB 3.38Å; L72-L75 WeakPolarHBondContact O-CG 3.32Å; L72-L75 PolarHBondContact O-N 3.21Å; L72-L75 VanDerWaalsContact O-N 3.12Å; L72-L94 HydrophobicContact CD1-CD2 4.17Å; L72-L94 HydrophobicContact CD2-CB 4.36Å; L72-L94 HydrophobicContact CD2-CD1 4.24Å; L72-L94 HydrophobicContact CD2-CD2 3.86Å; L72-L94 HydrophobicContact CD2-CG 4.37Å; L72-L94 HydrophobicContact CG-CD2 3.82Å; L72-I95 HydrophobicContact CD1-CG1 4.3Å; L72-I95 HydrophobicContact CD2-CG1 4.08Å; L72-L98 HydrophobicContact CD1-CD1 4.44Å
73	L	96.5	Very high	94.7	Very high	116 Å²	116	89.1 Å²	89.1	61%	0.607	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-40	-179.5	-158.7	154.4	0	0	0	114.9	I69 L75 P76	I69-L73 PolarHBondContact O-N 2.92Å; L73-L75 PolarHBondContact O-N 3.12Å; L73-P76 WeakPolarHBondContact O-CD 3.31Å
74	P	94.3	Very high	94.5	Very high	58 Å²	58	88.3 Å²	88.3	38%	0.377	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	0.8	179.6	29.2	-36.6	0	0	0	115.3	A70 L71 L72 P76 W77 A78	A70-P74 WeakPolarHBondContact O-CD 3.4Å; L71-P74 WeakPolarHBondContact O-CD 3.29Å; L71-P74 WeakPolarHBondContact O-CG 3.14Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; P74-P76 VanDerWaalsContact C-CD 3.45Å; P74-W77 HydrophobicContact CB-CE3 4.11Å; P74-W77 PolarHBondContact O-N 3.01Å; P74-W77 VanDerWaalsContact O-N 3.09Å; P74-A78 PolarHBondContact O-N 3.33Å
75	L	94.1	Very high	94.5	Very high	52 Å²	52	88.7 Å²	88.7	27%	0.272	48%	0.48	S	S	.	.	H	α-helix	trans	-54	-41.2	-179.2	-74.9	177.6	0	0	0	115.1	L72 L73 W77 A78 L79 M87 S91	L72-L75 HydrophobicContact CB-CD1 4.32Å; L72-L75 HydrophobicContact CD2-CD1 3.73Å; L72-L75 HydrophobicContact CD2-CG 4.46Å; L72-L75 VanDerWaalsContact O-CB 3.32Å; L72-L75 WeakPolarHBondContact O-CB 3.38Å; L72-L75 WeakPolarHBondContact O-CG 3.32Å; L72-L75 PolarHBondContact O-N 3.21Å; L72-L75 VanDerWaalsContact O-N 3.12Å; L73-L75 PolarHBondContact O-N 3.12Å; L75-W77 PolarHBondContact O-N 3.08Å; L75-A78 WeakPolarHBondContact O-CB 3.5Å; L75-A78 PolarHBondContact O-N 3.01Å; L75-A78 VanDerWaalsContact O-N 3.07Å; L75-L79 PolarHBondContact O-N 3.4Å; L75-L79 VanDerWaalsContact O-N 3.15Å; L75-M87 HydrophobicContact CD2-SD 4.42Å; L75-S91 VanDerWaalsContact CD2-CB 3.47Å
76	P	93.8	Very high	94.4	Very high	85 Å²	85	92.3 Å²	92.3	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-59.2	-34.4	177.6	-25.3	36.4	0	0	0	113.1	L73 P74	L73-P76 WeakPolarHBondContact O-CD 3.31Å; P74-P76 VanDerWaalsContact C-CD 3.45Å
77	W	94	Very high	94.3	Very high	183 Å²	183	89 Å²	89	69%	0.693	48%	0.483	S	S	*	.	H	α-helix	trans	-78.3	-35.3	174.7	-58.9	-42.6	0	0	0	111.7	P74 L75 L79 Q80	P74-W77 HydrophobicContact CB-CE3 4.11Å; P74-W77 PolarHBondContact O-N 3.01Å; P74-W77 VanDerWaalsContact O-N 3.09Å; L75-W77 PolarHBondContact O-N 3.08Å; W77-L79 PolarHBondContact O-N 3.4Å; W77-Q80 PolarHBondContact O-N 3.1Å; W77-Q80 VanDerWaalsContact O-N 3.1Å
78	A	93.1	Very high	94.2	Very high	26 Å²	26	87 Å²	87	22%	0.215	48%	0.475	C	S	.	.	H	α-helix	trans	-63.2	-22.7	178.1	0	0	0	0	0	113.4	P74 L75 Q80 T81 M87	P74-A78 PolarHBondContact O-N 3.33Å; L75-A78 WeakPolarHBondContact O-CB 3.5Å; L75-A78 PolarHBondContact O-N 3.01Å; L75-A78 VanDerWaalsContact O-N 3.07Å; A78-Q80 PolarHBondContact O-N 2.87Å; A78-T81 WeakPolarHBondContact O-CB 3.14Å; A78-T81 WeakPolarHBondContact O-CG2 3.4Å; A78-T81 PolarHBondContact O-N 3.05Å; A78-T81 VanDerWaalsContact O-N 3.16Å; A78-T81 PolarHBondContact O-OG1 3.12Å; A78-M87 HydrophobicContact CB-CG 3.79Å; A78-M87 HydrophobicContact CB-SD 4.35Å; A78-M87 WeakPolarHBondContact O-CE 3.33Å
79	L	92.1	Very high	94.2	Very high	110 Å²	110	90.9 Å²	90.9	58%	0.576	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.2	172.6	-72.3	166.3	0	0	0	114.2	L75 W77 T81 L84 M87	L75-L79 PolarHBondContact O-N 3.4Å; L75-L79 VanDerWaalsContact O-N 3.15Å; W77-L79 PolarHBondContact O-N 3.4Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-L84 WeakPolarHBondContact O-CD2 3.32Å; L79-M87 VanDerWaalsContact CA-CE 3.44Å; L79-M87 HydrophobicContact CB-CE 4.24Å; L79-M87 HydrophobicContact CD2-CE 3.49Å; L79-M87 VanDerWaalsContact CD2-CE 3.49Å; L79-M87 HydrophobicContact CG-CE 3.91Å
80	Q	92.8	Very high	94.1	Very high	166 Å²	166	89.6 Å²	89.6	78%	0.776	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	3	178.6	-59.8	177.1	2.5	0	0	113	W77 A78	W77-Q80 PolarHBondContact O-N 3.1Å; W77-Q80 VanDerWaalsContact O-N 3.1Å; A78-Q80 PolarHBondContact O-N 2.87Å
81	T	93.7	Very high	94	Very high	66 Å²	66	87.6 Å²	87.6	41%	0.405	48%	0.476	S	S	.	.	S	Bend	trans	-73.9	152.9	-178.4	58.5	0	0	0	0	112.5	A78 L79 N83	A78-T81 WeakPolarHBondContact O-CB 3.14Å; A78-T81 WeakPolarHBondContact O-CG2 3.4Å; A78-T81 PolarHBondContact O-N 3.05Å; A78-T81 VanDerWaalsContact O-N 3.16Å; A78-T81 PolarHBondContact O-OG1 3.12Å; L79-T81 VanDerWaalsContact C-N 3.32Å; T81-N83 VanDerWaalsContact C-N 3.29Å; T81-N83 PolarHBondContact O-N 2.72Å
82	T	91.3	Very high	94.1	Very high	135 Å²	135	85.9 Å²	85.9	83%	0.828	47%	0.467	S	S	*	.	S	Bend	trans	-68	-29.7	178.5	55.8	0	0	0	0	112.7
83	N	93.8	Very high	94.1	Very high	101 Å²	101	89.3 Å²	89.3	54%	0.54	49%	0.485	S	S	.	.			trans	-104.1	65.3	-177.8	-69.9	-26.6	0	0	0	111.5	T81 P85 L86 M87	T81-N83 VanDerWaalsContact C-N 3.29Å; T81-N83 PolarHBondContact O-N 2.72Å; N83-P85 VanDerWaalsContact C-CD 3.43Å; N83-L86 HydrophobicContact CB-CB 4.32Å; N83-L86 PolarHBondContact O-N 3.33Å; N83-M87 PolarHBondContact O-N 3Å
84	L	93.2	Very high	94	Very high	85 Å²	85	85.7 Å²	85.7	45%	0.445	47%	0.466	S	S	.	.	H	α-helix	trans	-49.7	-45.6	174.8	-69.5	176	0	0	0	115.4	L79 L86 M87 V88	L79-L84 WeakPolarHBondContact O-CD2 3.32Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.35Å; L84-M87 HydrophobicContact CD2-CE 4.08Å; L84-M87 PolarHBondContact O-N 3.44Å; L84-V88 WeakPolarHBondContact O-CG2 3.19Å; L84-V88 PolarHBondContact O-N 2.94Å
85	P	94	Very high	94.1	Very high	99 Å²	99	86.8 Å²	86.8	64%	0.643	47%	0.468	S	S	*	.	H	α-helix	trans	-64.9	-35.9	-176.2	24.1	-33.9	0	0	0	112.4	N83 M89	N83-P85 VanDerWaalsContact C-CD 3.43Å; P85-M89 WeakPolarHBondContact O-CB 3.24Å; P85-M89 VanDerWaalsContact O-CG 3.24Å; P85-M89 WeakPolarHBondContact O-CG 3.45Å; P85-M89 PolarHBondContact O-N 3.39Å
86	L	94.3	Very high	94.3	Very high	118 Å²	118	89 Å²	89	62%	0.618	48%	0.479	S	S	*	.	H	α-helix	trans	-68.3	-43.6	177.1	-179.5	67	0	0	0	111	N83 L84 M89 S90	N83-L86 HydrophobicContact CB-CB 4.32Å; N83-L86 PolarHBondContact O-N 3.33Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.35Å; L86-M89 PolarHBondContact O-N 3.3Å; L86-S90 WeakPolarHBondContact O-CB 3.35Å; L86-S90 PolarHBondContact O-N 3.41Å; L86-S90 PolarHBondContact O-OG 3.04Å
87	M	94.7	Very high	94.4	Very high	19 Å²	19	89.1 Å²	89.1	9%	0.094	47%	0.474	C	S	.	.	H	α-helix	trans	-60.3	-49.9	177.6	179.7	-85	-80	0	0	110.9	L75 A78 L79 N83 L84 M89 S90 S91	L75-M87 HydrophobicContact CD2-SD 4.42Å; A78-M87 HydrophobicContact CB-CG 3.79Å; A78-M87 HydrophobicContact CB-SD 4.35Å; A78-M87 WeakPolarHBondContact O-CE 3.33Å; L79-M87 VanDerWaalsContact CA-CE 3.44Å; L79-M87 HydrophobicContact CB-CE 4.24Å; L79-M87 HydrophobicContact CD2-CE 3.49Å; L79-M87 VanDerWaalsContact CD2-CE 3.49Å; L79-M87 HydrophobicContact CG-CE 3.91Å; N83-M87 PolarHBondContact O-N 3Å; L84-M87 HydrophobicContact CD2-CE 4.08Å; L84-M87 PolarHBondContact O-N 3.44Å; M87-M89 VanDerWaalsContact C-N 3.35Å; M87-M89 PolarHBondContact O-N 3.39Å; M87-S90 PolarHBondContact O-N 3.41Å; M87-S90 VanDerWaalsContact O-N 3.16Å; M87-S90 PolarHBondContact O-OG 3.23Å; M87-S91 PolarHBondContact O-N 3.32Å; M87-S91 PolarHBondContact O-OG 2.87Å
88	V	94.3	Very high	94.5	Very high	62 Å²	62	82.3 Å²	82.3	38%	0.376	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-41.9	179.1	172.9	0	0	0	0	111.8	L84 S91 L92	L84-V88 WeakPolarHBondContact O-CG2 3.19Å; L84-V88 PolarHBondContact O-N 2.94Å; V88-S91 WeakPolarHBondContact CA-OG 3.31Å; V88-S91 PolarHBondContact O-N 2.99Å; V88-S91 PolarHBondContact O-OG 3.15Å; V88-L92 HydrophobicContact CG1-CD1 3.82Å; V88-L92 HydrophobicContact CG1-CG 4.37Å; V88-L92 WeakPolarHBondContact O-CB 3.4Å; V88-L92 VanDerWaalsContact O-CG 3.27Å; V88-L92 WeakPolarHBondContact O-CG 3.39Å; V88-L92 PolarHBondContact O-N 3.01Å
89	M	95.5	Very high	94.6	Very high	123 Å²	123	83.6 Å²	83.6	61%	0.606	46%	0.462	S	S	*	.	H	α-helix	trans	-60.7	-46.5	174.8	-77.4	-75.4	107.4	0	0	111.7	P85 L86 M87 L92 L93	P85-M89 WeakPolarHBondContact O-CB 3.24Å; P85-M89 VanDerWaalsContact O-CG 3.24Å; P85-M89 WeakPolarHBondContact O-CG 3.45Å; P85-M89 PolarHBondContact O-N 3.39Å; L86-M89 PolarHBondContact O-N 3.3Å; M87-M89 VanDerWaalsContact C-N 3.35Å; M87-M89 PolarHBondContact O-N 3.39Å; M89-L92 HydrophobicContact CE-CD1 4.2Å; M89-L92 PolarHBondContact O-N 3.31Å; M89-L93 WeakPolarHBondContact O-CB 3.38Å; M89-L93 PolarHBondContact O-N 3.16Å
90	S	93.7	Very high	94.8	Very high	66 Å²	66	83.6 Å²	83.6	46%	0.462	46%	0.462	S	S	.	.	H	α-helix	trans	-65.1	-40.2	179.9	68.5	0	0	0	0	112.8	L86 M87 L93 L94	L86-S90 WeakPolarHBondContact O-CB 3.35Å; L86-S90 PolarHBondContact O-N 3.41Å; L86-S90 PolarHBondContact O-OG 3.04Å; M87-S90 PolarHBondContact O-N 3.41Å; M87-S90 VanDerWaalsContact O-N 3.16Å; M87-S90 PolarHBondContact O-OG 3.23Å; S90-L93 PolarHBondContact O-N 3.18Å; S90-L94 PolarHBondContact O-N 3.21Å; S90-L94 VanDerWaalsContact O-N 3.07Å
91	S	94.7	Very high	94.9	Very high	17 Å²	17	77.6 Å²	77.6	12%	0.119	44%	0.438	C	S	.	.	H	α-helix	trans	-68.5	-41.2	178.2	63	0	0	0	0	112.1	L75 M87 V88 L93 L94 I95	L75-S91 VanDerWaalsContact CD2-CB 3.47Å; M87-S91 PolarHBondContact O-N 3.32Å; M87-S91 PolarHBondContact O-OG 2.87Å; V88-S91 WeakPolarHBondContact CA-OG 3.31Å; V88-S91 PolarHBondContact O-N 2.99Å; V88-S91 PolarHBondContact O-OG 3.15Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L94 PolarHBondContact O-N 3.15Å; S91-I95 VanDerWaalsContact O-CG1 3.3Å; S91-I95 WeakPolarHBondContact O-CG1 3.33Å; S91-I95 PolarHBondContact O-N 3.27Å
92	L	95.8	Very high	94.9	Very high	80 Å²	80	77.9 Å²	77.9	42%	0.419	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-41.2	175.5	-76.1	170.6	0	0	0	111.2	V88 M89 L94 I95 I96	V88-L92 HydrophobicContact CG1-CD1 3.82Å; V88-L92 HydrophobicContact CG1-CG 4.37Å; V88-L92 WeakPolarHBondContact O-CB 3.4Å; V88-L92 VanDerWaalsContact O-CG 3.27Å; V88-L92 WeakPolarHBondContact O-CG 3.39Å; V88-L92 PolarHBondContact O-N 3.01Å; M89-L92 HydrophobicContact CE-CD1 4.2Å; M89-L92 PolarHBondContact O-N 3.31Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.15Å; L92-I95 PolarHBondContact O-N 3.27Å; L92-I96 WeakPolarHBondContact O-CB 3.16Å; L92-I96 WeakPolarHBondContact O-CD1 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.32Å; L92-I96 PolarHBondContact O-N 3.34Å
93	L	96.3	Very high	95.2	Very high	108 Å²	108	73.7 Å²	73.7	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-60.4	-43.1	176.3	-177.9	140.3	0	0	0	111.6	M89 S90 S91 I96 I97	M89-L93 WeakPolarHBondContact O-CB 3.38Å; M89-L93 PolarHBondContact O-N 3.16Å; S90-L93 PolarHBondContact O-N 3.18Å; S91-L93 VanDerWaalsContact C-N 3.33Å; L93-I96 PolarHBondContact O-N 3.1Å; L93-I97 HydrophobicContact CD2-CD1 3.56Å; L93-I97 HydrophobicContact CG-CD1 4.27Å; L93-I97 WeakPolarHBondContact O-CG1 3.37Å; L93-I97 PolarHBondContact O-N 2.75Å
94	L	95.5	Very high	95.2	Very high	41 Å²	41	76 Å²	76	22%	0.215	42%	0.418	C	S	.	.	H	α-helix	trans	-63.7	-45.2	177.1	-158.3	164.9	0	0	0	111.5	E68 L71 L72 S90 S91 L92 I96 I97 L98	E68-L94 HydrophobicContact CB-CD2 4.4Å; L71-L94 HydrophobicContact CB-CD1 3.87Å; L71-L94 HydrophobicContact CD1-CD1 4.45Å; L72-L94 HydrophobicContact CD1-CD2 4.17Å; L72-L94 HydrophobicContact CD2-CB 4.36Å; L72-L94 HydrophobicContact CD2-CD1 4.24Å; L72-L94 HydrophobicContact CD2-CD2 3.86Å; L72-L94 HydrophobicContact CD2-CG 4.37Å; L72-L94 HydrophobicContact CG-CD2 3.82Å; S90-L94 PolarHBondContact O-N 3.21Å; S90-L94 VanDerWaalsContact O-N 3.07Å; S91-L94 PolarHBondContact O-N 3.15Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.15Å; L94-I96 VanDerWaalsContact C-N 3.31Å; L94-I96 PolarHBondContact O-N 2.72Å; L94-I97 PolarHBondContact O-N 3.07Å; L94-L98 PolarHBondContact O-N 3.4Å
95	I	96.4	Very high	95.2	Very high	80 Å²	80	72.9 Å²	72.9	41%	0.41	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-39.8	176.9	-65	165.8	0	0	0	111.4	L72 S91 L92 L98 A99	L72-I95 HydrophobicContact CD1-CG1 4.3Å; L72-I95 HydrophobicContact CD2-CG1 4.08Å; S91-I95 VanDerWaalsContact O-CG1 3.3Å; S91-I95 WeakPolarHBondContact O-CG1 3.33Å; S91-I95 PolarHBondContact O-N 3.27Å; L92-I95 PolarHBondContact O-N 3.27Å; I95-L98 PolarHBondContact O-N 3.34Å; I95-A99 WeakPolarHBondContact O-CB 3.49Å; I95-A99 PolarHBondContact O-N 3.26Å
96	I	97.1	Very high	95.1	Very high	99 Å²	99	76.3 Å²	76.3	51%	0.508	40%	0.401	S	S	.	.	H	α-helix	trans	-64.1	-42.5	176.9	-71.3	162.7	0	0	0	110.8	L92 L93 L94 A99 L100	L92-I96 WeakPolarHBondContact O-CB 3.16Å; L92-I96 WeakPolarHBondContact O-CD1 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.32Å; L92-I96 PolarHBondContact O-N 3.34Å; L93-I96 PolarHBondContact O-N 3.1Å; L94-I96 VanDerWaalsContact C-N 3.31Å; L94-I96 PolarHBondContact O-N 2.72Å; I96-A99 PolarHBondContact O-N 3.32Å; I96-L100 HydrophobicContact CG2-CD1 3.89Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CB 3.47Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.43Å; I96-L100 PolarHBondContact O-N 3.16Å
97	I	95.8	Very high	95.1	Very high	88 Å²	88	77.3 Å²	77.3	45%	0.451	41%	0.406	S	S	.	.	H	α-helix	trans	-60.5	-47.6	176.6	-70	168.5	0	0	0	110.4	L93 L94 A99 L100 S101	L93-I97 HydrophobicContact CD2-CD1 3.56Å; L93-I97 HydrophobicContact CG-CD1 4.27Å; L93-I97 WeakPolarHBondContact O-CG1 3.37Å; L93-I97 PolarHBondContact O-N 2.75Å; L94-I97 PolarHBondContact O-N 3.07Å; I97-A99 VanDerWaalsContact C-N 3.33Å; I97-A99 PolarHBondContact O-N 2.95Å; I97-L100 PolarHBondContact O-N 3.4Å; I97-L100 VanDerWaalsContact O-N 3.12Å; I97-S101 PolarHBondContact O-N 3.3Å; I97-S101 PolarHBondContact O-OG 2.91Å; I97-S101 VanDerWaalsContact O-OG 3.1Å
98	L	95.7	Very high	95	Very high	40 Å²	40	82.2 Å²	82.2	21%	0.209	43%	0.429	C	S	.	.	H	α-helix	trans	-57.5	-46.2	177.1	-172.5	155.7	0	0	0	111.5	F65 E68 L72 L94 I95 L100 S101 L102	F65-L98 HydrophobicContact CD1-CG 4.25Å; F65-L98 HydrophobicContact CE1-CG 4.45Å; E68-L98 HydrophobicContact CB-CD1 3.98Å; E68-L98 WeakPolarHBondContact OE2-CA 3.48Å; E68-L98 VanDerWaalsContact OE2-CB 3.24Å; E68-L98 WeakPolarHBondContact OE2-CB 3.33Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.44Å; E68-L98 WeakPolarHBondContact OE2-CG 3.37Å; L72-L98 HydrophobicContact CD1-CD1 4.44Å; L94-L98 PolarHBondContact O-N 3.4Å; I95-L98 PolarHBondContact O-N 3.34Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.04Å; L98-S101 VanDerWaalsContact C-OG 3.3Å; L98-S101 VanDerWaalsContact CA-OG 3.31Å; L98-S101 WeakPolarHBondContact CA-OG 3.3Å; L98-S101 PolarHBondContact O-N 3.49Å; L98-S101 PolarHBondContact O-OG 2.99Å; L98-L102 PolarHBondContact O-N 3.34Å
99	A	96.1	Very high	94.7	Very high	53 Å²	53	86.2 Å²	86.2	44%	0.438	44%	0.442	S	S	.	.	H	α-helix	trans	-62.9	-39	177.2	0	0	0	0	0	112.3	I95 I96 I97 A103	I95-A99 WeakPolarHBondContact O-CB 3.49Å; I95-A99 PolarHBondContact O-N 3.26Å; I96-A99 PolarHBondContact O-N 3.32Å; I97-A99 VanDerWaalsContact C-N 3.33Å; I97-A99 PolarHBondContact O-N 2.95Å; A99-A103 VanDerWaalsContact O-CB 3.31Å; A99-A103 WeakPolarHBondContact O-CB 3.22Å; A99-A103 PolarHBondContact O-N 3.33Å
100	L	96.6	Very high	94.1	Very high	110 Å²	110	81.3 Å²	81.3	58%	0.576	42%	0.423	S	S	*	.	H	α-helix	trans	-68.6	-40.4	176.7	-74.8	171.7	0	0	0	112.2	I96 I97 L98 A103 Y104	I96-L100 HydrophobicContact CG2-CD1 3.89Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CB 3.47Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.43Å; I96-L100 PolarHBondContact O-N 3.16Å; I97-L100 PolarHBondContact O-N 3.4Å; I97-L100 VanDerWaalsContact O-N 3.12Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-L100 PolarHBondContact O-N 3.04Å; L100-A103 PolarHBondContact O-N 3.39Å; L100-Y104 WeakPolarHBondContact O-CB 3.23Å; L100-Y104 PolarHBondContact O-N 2.95Å
101	S	94.3	Very high	93.8	Very high	40 Å²	40	80.6 Å²	80.6	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-43.3	174.8	41.1	0	0	0	0	112	I97 L98 Y104 E105	I97-S101 PolarHBondContact O-N 3.3Å; I97-S101 PolarHBondContact O-OG 2.91Å; I97-S101 VanDerWaalsContact O-OG 3.1Å; L98-S101 VanDerWaalsContact C-OG 3.3Å; L98-S101 VanDerWaalsContact CA-OG 3.31Å; L98-S101 WeakPolarHBondContact CA-OG 3.3Å; L98-S101 PolarHBondContact O-N 3.49Å; L98-S101 PolarHBondContact O-OG 2.99Å; S101-Y104 PolarHBondContact O-N 3.46Å; S101-E105 PolarHBondContact O-N 3.07Å
102	L	94.8	Very high	93.3	Very high	72 Å²	72	83 Å²	83	38%	0.377	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-44.7	175.9	-177	69.8	0	0	0	111.4	F65 L98 Y104 E105 W106 L111	F65-L102 HydrophobicContact CE2-CD1 3.81Å; F65-L102 HydrophobicContact CZ-CB 3.93Å; F65-L102 HydrophobicContact CZ-CD1 3.92Å; L98-L102 PolarHBondContact O-N 3.34Å; L102-Y104 VanDerWaalsContact C-N 3.28Å; L102-Y104 PolarHBondContact O-N 3.41Å; L102-E105 PolarHBondContact O-N 2.98Å; L102-W106 WeakPolarHBondContact O-CB 3.29Å; L102-W106 PolarHBondContact O-N 2.9Å; L102-L111 HydrophobicContact CD1-CD1 4.14Å
103	A	95.9	Very high	92.5	Very high	46 Å²	46	88.2 Å²	88.2	38%	0.38	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-39.1	177	0	0	0	0	0	111.6	A99 L100 L107	A99-A103 VanDerWaalsContact O-CB 3.31Å; A99-A103 WeakPolarHBondContact O-CB 3.22Å; A99-A103 PolarHBondContact O-N 3.33Å; L100-A103 PolarHBondContact O-N 3.39Å; A103-L107 WeakPolarHBondContact O-CB 3.43Å; A103-L107 VanDerWaalsContact O-CG 3.23Å; A103-L107 WeakPolarHBondContact O-CG 3.31Å; A103-L107 PolarHBondContact O-N 2.96Å
104	Y	94.8	Very high	91.1	Very high	151 Å²	151	87.9 Å²	87.9	59%	0.592	44%	0.441	S	S	*	.	H	α-helix	trans	-63.8	-48.6	175.5	178.4	-98.2	0	0	0	111.7	L100 S101 L102 W106 L107 Q108	L100-Y104 WeakPolarHBondContact O-CB 3.23Å; L100-Y104 PolarHBondContact O-N 2.95Å; S101-Y104 PolarHBondContact O-N 3.46Å; L102-Y104 VanDerWaalsContact C-N 3.28Å; L102-Y104 PolarHBondContact O-N 3.41Å; Y104-W106 VanDerWaalsContact C-N 3.29Å; Y104-W106 PolarHBondContact O-N 3.44Å; Y104-L107 PolarHBondContact O-N 3.21Å; Y104-Q108 HydrophobicContact CD1-CG 4.32Å; Y104-Q108 HydrophobicContact CD2-CG 4.42Å; Y104-Q108 HydrophobicContact CE1-CG 3.91Å; Y104-Q108 HydrophobicContact CE2-CG 4.02Å; Y104-Q108 WeakPolarHBondContact O-CG 3.42Å; Y104-Q108 PolarHBondContact O-N 2.89Å
105	E	93.4	Very high	89.3	Confident	18 Å²	18	98.4 Å²	98.4	8%	0.084	49%	0.49	C	S	.	.	H	α-helix	trans	-61.3	-39.6	178.9	-167.7	-175.2	176	0	0	112	L57 T61 S101 L102 Q108 K109 G110 L111	L57-E105 HydrophobicContact CD2-CG 4.49Å; L57-E105 WeakPolarHBondContact CD2-OE1 3.33Å; T61-E105 VanDerWaalsContact CB-OE1 3.29Å; T61-E105 WeakPolarHBondContact CB-OE1 3.38Å; T61-E105 VanDerWaalsContact CB-OE2 3.31Å; T61-E105 WeakPolarHBondContact CB-OE2 3.48Å; T61-E105 HydrophobicContact CG2-CG 4.34Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.44Å; T61-E105 VanDerWaalsContact CG2-OE2 3.32Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.45Å; T61-E105 PolarHBondContact OG1-OE1 2.96Å; S101-E105 PolarHBondContact O-N 3.07Å; L102-E105 PolarHBondContact O-N 2.98Å; E105-Q108 PolarHBondContact O-N 3.34Å; E105-K109 PolarHBondContact O-N 2.93Å; E105-G110 PolarHBondContact O-N 3.37Å; E105-L111 HydrophobicContact CG-CG 4.12Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.24Å
106	W	92.3	Very high	88.9	Confident	172 Å²	172	99.4 Å²	99.4	65%	0.652	49%	0.494	S	S	*	.	H	α-helix	trans	-61.9	-49.5	174.2	-169	-62.4	0	0	0	111.7	L102 Y104 Q108 K109 L111	L102-W106 WeakPolarHBondContact O-CB 3.29Å; L102-W106 PolarHBondContact O-N 2.9Å; Y104-W106 VanDerWaalsContact C-N 3.29Å; Y104-W106 PolarHBondContact O-N 3.44Å; W106-Q108 PolarHBondContact O-N 3.3Å; W106-K109 PolarHBondContact O-N 3.2Å; W106-L111 HydrophobicContact CB-CD1 4.45Å; W106-L111 HydrophobicContact CE3-CD1 4.06Å
107	L	94.4	Very high	88.5	Confident	138 Å²	138	99.4 Å²	99.4	72%	0.723	49%	0.493	S	S	*	.	H	α-helix	trans	-62.3	-32.9	179.9	-74.5	169.1	0	0	0	112.4	A103 Y104 K109	A103-L107 WeakPolarHBondContact O-CB 3.43Å; A103-L107 VanDerWaalsContact O-CG 3.23Å; A103-L107 WeakPolarHBondContact O-CG 3.31Å; A103-L107 PolarHBondContact O-N 2.96Å; Y104-L107 PolarHBondContact O-N 3.21Å; L107-K109 PolarHBondContact O-N 3.27Å
108	Q	91.1	Very high	88.1	Confident	122 Å²	122	100 Å²	100	57%	0.57	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	5.7	176.2	-64.5	-60.2	-17.1	0	0	113.8	Y104 E105 W106 G110	Y104-Q108 HydrophobicContact CD1-CG 4.32Å; Y104-Q108 HydrophobicContact CD2-CG 4.42Å; Y104-Q108 HydrophobicContact CE1-CG 3.91Å; Y104-Q108 HydrophobicContact CE2-CG 4.02Å; Y104-Q108 WeakPolarHBondContact O-CG 3.42Å; Y104-Q108 PolarHBondContact O-N 2.89Å; E105-Q108 PolarHBondContact O-N 3.34Å; W106-Q108 PolarHBondContact O-N 3.3Å; Q108-G110 PolarHBondContact O-N 3.35Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
109	K	88.2	Confident	87.6	Confident	147 Å²	147	103.5 Å²	103.5	64%	0.639	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	22.8	-178.3	-53.4	-172.5	172.3	-176.2	0	113.3	E105 W106 L107 L111 D112	E105-K109 PolarHBondContact O-N 2.93Å; W106-K109 PolarHBondContact O-N 3.2Å; L107-K109 PolarHBondContact O-N 3.27Å; K109-L111 PolarHBondContact O-N 3.05Å; K109-D112 HydrophobicContact CB-CB 3.95Å; K109-D112 VanDerWaalsContact CB-OD2 3.32Å; K109-D112 WeakPolarHBondContact CB-OD2 3.4Å; K109-D112 WeakPolarHBondContact CD-OD2 3.36Å; K109-D112 WeakPolarHBondContact CG-OD2 3.27Å; K109-D112 PolarHBondContact O-N 3.47Å; K109-D112 VanDerWaalsContact O-N 3.15Å
110	G	83.9	Confident	87.1	Confident	20 Å²	20	106.7 Å²	106.7	21%	0.206	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.7	175.7	0	0	0	0	0	112.1	E105 Q108	E105-G110 PolarHBondContact O-N 3.37Å; Q108-G110 PolarHBondContact O-N 3.35Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
111	L	85.9	Confident	86.5	Confident	50 Å²	50	106.5 Å²	106.5	26%	0.262	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	1.3	178.5	-58.8	172.2	0	0	0	113.3	L102 E105 W106 K109 W113	L102-L111 HydrophobicContact CD1-CD1 4.14Å; E105-L111 HydrophobicContact CG-CG 4.12Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.24Å; W106-L111 HydrophobicContact CB-CD1 4.45Å; W106-L111 HydrophobicContact CE3-CD1 4.06Å; K109-L111 PolarHBondContact O-N 3.05Å; L111-W113 PolarHBondContact O-N 2.98Å
112	D	84.9	Confident	85.9	Confident	69 Å²	69	111.2 Å²	111.2	37%	0.369	53%	0.529	S	S	.	.			trans	-78.2	116	179.9	-82.3	-7.8	0	0	0	110.7	K109 T114	K109-D112 HydrophobicContact CB-CB 3.95Å; K109-D112 VanDerWaalsContact CB-OD2 3.32Å; K109-D112 WeakPolarHBondContact CB-OD2 3.4Å; K109-D112 WeakPolarHBondContact CD-OD2 3.36Å; K109-D112 WeakPolarHBondContact CG-OD2 3.27Å; K109-D112 PolarHBondContact O-N 3.47Å; K109-D112 VanDerWaalsContact O-N 3.15Å; D112-T114 PolarHBondContact O-N 2.94Å
113	W	79.8	Confident	85.2	Confident	189 Å²	189	114.2 Å²	114.2	72%	0.716	54%	0.541	S	S	*	.			trans	-93.1	83.3	173.9	-67.4	29.7	0	0	0	107.5	F55 L111	F55-W113 HydrophobicContact CE1-CH2 4.32Å; L111-W113 PolarHBondContact O-N 2.98Å
114	T	65.9	Low	84.3	Confident	100 Å²	100	119.9 Å²	119.9	61%	0.613	56%	0.555	S	S	*	*			trans	-73.8	126.2	155.1	68	0	0	0	0	107.2	K54 D112	K54-T114 PolarHBondContact NZ-O 3.14Å; K54-T114 PolarHBondContact NZ-OG1 3.06Å; D112-T114 PolarHBondContact O-N 2.94Å
115	E	57.5	Low	83.4	Confident	263 Å²	263	117.1 Å²	117.1	100%	1.229	55%	0.551	S	S	*	*			trans	-50.4	0	155.4	-64.2	-165.6	176	0	0	110.5

Retrieved 115 of 115 residues in 49.9 ms (Link to these results)

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