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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 X5BZL0, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 115 aa.

						>X5BZL0_HUMAN|X5BZL0|ND3
MNFALILMINTLLALLLMIITFWLPQLNGYMEKSTPYECGFDPMSPARVPFSMKFFLVAITFLLFDLEIALLLPLPWALQTTNLPLMVTSSLLLIIILALSLAYEWLQKGLDWTE
					

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(Predicted Aligned Error values between residue pairs)

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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	73.1	Confident	94.6	Very high	190 Å²	190	108.1 Å²	108.1	94%	0.936	57%	0.57	S	S	*	*				0	-51.5	0	-155.3	135.2	69.6	0	0	111.9	F3 A4 L5	M1-F3 PolarHBondContact O-N 3.36Å; M1-A4 PolarHBondContact O-N 3.08Å; M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 WeakPolarHBondContact O-CG 3.4Å; M1-L5 PolarHBondContact O-N 3.42Å
2	N	93.8	Very high	94.9	Very high	124 Å²	124	106.9 Å²	106.9	66%	0.663	56%	0.563	S	S	*	*	H	α-helix	trans	-59.1	-42.4	-178.2	-60.3	3.8	0	0	0	114.4	L5 I6	N2-L5 WeakPolarHBondContact O-CB 3.32Å; N2-L5 PolarHBondContact O-N 3.31Å; N2-I6 WeakPolarHBondContact O-CG1 3.34Å; N2-I6 PolarHBondContact O-N 3.26Å
3	F	95.3	Very high	95.1	Very high	153 Å²	153	106.3 Å²	106.3	67%	0.671	56%	0.56	S	S	*	*	H	α-helix	trans	-63.3	-44.4	176.8	-178.3	-108.8	0	0	0	112.6	M1 L5 I6 L7	M1-F3 PolarHBondContact O-N 3.36Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 2.98Å; F3-I6 PolarHBondContact O-N 3.47Å; F3-L7 HydrophobicContact CD1-CD1 3.91Å; F3-L7 HydrophobicContact CE1-CD1 3.37Å; F3-L7 HydrophobicContact CE1-CG 4.15Å; F3-L7 HydrophobicContact CE2-CG 4.48Å; F3-L7 HydrophobicContact CZ-CD1 3.72Å; F3-L7 HydrophobicContact CZ-CD2 4.37Å; F3-L7 HydrophobicContact CZ-CG 4.11Å; F3-L7 PolarHBondContact O-N 2.81Å
4	A	95.9	Very high	95.3	Very high	63 Å²	63	103.1 Å²	103.1	52%	0.521	56%	0.557	S	S	.	*	H	α-helix	trans	-62.6	-38.3	175.7	0	0	0	0	0	111.8	M1 L7 M8	M1-A4 PolarHBondContact O-N 3.08Å; A4-L7 PolarHBondContact O-N 3.14Å; A4-M8 WeakPolarHBondContact O-CB 3.27Å; A4-M8 PolarHBondContact O-N 3.5Å
5	L	96.8	Very high	95.5	Very high	85 Å²	85	102.1 Å²	102.1	45%	0.445	55%	0.55	S	S	.	.	H	α-helix	trans	-63.2	-42.6	174.2	-71.6	169	0	0	0	111.9	M1 N2 F3 M8 I9	M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 WeakPolarHBondContact O-CG 3.4Å; M1-L5 PolarHBondContact O-N 3.42Å; N2-L5 WeakPolarHBondContact O-CB 3.32Å; N2-L5 PolarHBondContact O-N 3.31Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 2.98Å; L5-M8 PolarHBondContact O-N 3.03Å; L5-I9 WeakPolarHBondContact O-CD1 3.46Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.48Å; L5-I9 PolarHBondContact O-N 3.13Å
6	I	97.4	Very high	95.6	Very high	94 Å²	94	101.4 Å²	101.4	48%	0.482	55%	0.545	S	S	.	.	H	α-helix	trans	-62.4	-46.5	176.7	-67.8	163.2	0	0	0	110.8	N2 F3 M8 I9 N10	N2-I6 WeakPolarHBondContact O-CG1 3.34Å; N2-I6 PolarHBondContact O-N 3.26Å; F3-I6 PolarHBondContact O-N 3.47Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 2.94Å; I6-I9 PolarHBondContact O-N 3.01Å; I6-N10 PolarHBondContact O-N 2.94Å; I6-N10 PolarHBondContact O-ND2 3.17Å
7	L	97.4	Very high	95.7	Very high	86 Å²	86	101.1 Å²	101.1	45%	0.45	54%	0.543	S	S	.	.	H	α-helix	trans	-60.8	-41.1	176.1	-72.9	176.2	0	0	0	112	F3 A4 N10 T11	F3-L7 HydrophobicContact CD1-CD1 3.91Å; F3-L7 HydrophobicContact CE1-CD1 3.37Å; F3-L7 HydrophobicContact CE1-CG 4.15Å; F3-L7 HydrophobicContact CE2-CG 4.48Å; F3-L7 HydrophobicContact CZ-CD1 3.72Å; F3-L7 HydrophobicContact CZ-CD2 4.37Å; F3-L7 HydrophobicContact CZ-CG 4.11Å; F3-L7 PolarHBondContact O-N 2.81Å; A4-L7 PolarHBondContact O-N 3.14Å; L7-N10 PolarHBondContact O-N 3.44Å; L7-T11 WeakPolarHBondContact O-CB 3.38Å; L7-T11 WeakPolarHBondContact O-CG2 3.5Å; L7-T11 PolarHBondContact O-N 3.25Å; L7-T11 PolarHBondContact O-OG1 2.77Å
8	M	97.6	Very high	95.8	Very high	111 Å²	111	101.4 Å²	101.4	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-44.5	177.3	-172.8	179.9	-178.2	0	0	111.7	A4 L5 I6 T11 L12	A4-M8 WeakPolarHBondContact O-CB 3.27Å; A4-M8 PolarHBondContact O-N 3.5Å; L5-M8 PolarHBondContact O-N 3.03Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 2.94Å; M8-T11 WeakPolarHBondContact CA-OG1 3.21Å; M8-T11 PolarHBondContact O-N 2.94Å; M8-T11 PolarHBondContact O-OG1 2.77Å; M8-L12 HydrophobicContact CE-CD1 4.1Å; M8-L12 HydrophobicContact CG-CD1 3.92Å; M8-L12 HydrophobicContact CG-CG 4.48Å; M8-L12 WeakPolarHBondContact O-CB 3.41Å; M8-L12 VanDerWaalsContact O-CG 3.24Å; M8-L12 WeakPolarHBondContact O-CG 3.38Å; M8-L12 PolarHBondContact O-N 3.18Å
9	I	97.7	Very high	95.8	Very high	108 Å²	108	100.8 Å²	100.8	55%	0.554	54%	0.538	S	S	*	.	H	α-helix	trans	-63.3	-44.7	178.4	-68.7	162.7	0	0	0	110.8	L5 I6 L12 L13	L5-I9 WeakPolarHBondContact O-CD1 3.46Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.48Å; L5-I9 PolarHBondContact O-N 3.13Å; I6-I9 PolarHBondContact O-N 3.01Å; I9-L12 PolarHBondContact O-N 3.19Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 PolarHBondContact O-N 3.1Å
10	N	97.9	Very high	95.8	Very high	94 Å²	94	99.7 Å²	99.7	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-43.2	-179.6	-71.8	-16.8	0	0	0	112.4	I6 L7 L13 A14	I6-N10 PolarHBondContact O-N 2.94Å; I6-N10 PolarHBondContact O-ND2 3.17Å; L7-N10 PolarHBondContact O-N 3.44Å; N10-L13 PolarHBondContact O-N 3.44Å; N10-A14 PolarHBondContact O-N 2.88Å
11	T	97.7	Very high	95.8	Very high	81 Å²	81	99.7 Å²	99.7	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-67.6	-40.9	178	49.7	0	0	0	0	111.7	L7 M8 A14 L15	L7-T11 WeakPolarHBondContact O-CB 3.38Å; L7-T11 WeakPolarHBondContact O-CG2 3.5Å; L7-T11 PolarHBondContact O-N 3.25Å; L7-T11 PolarHBondContact O-OG1 2.77Å; M8-T11 WeakPolarHBondContact CA-OG1 3.21Å; M8-T11 PolarHBondContact O-N 2.94Å; M8-T11 PolarHBondContact O-OG1 2.77Å; T11-A14 PolarHBondContact O-N 2.85Å; T11-L15 WeakPolarHBondContact O-CB 3.36Å; T11-L15 WeakPolarHBondContact O-CG 3.46Å; T11-L15 PolarHBondContact O-N 3.37Å
12	L	98	Very high	96.7	Very high	94 Å²	94	96.6 Å²	96.6	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-41.4	174.1	-75.7	170.8	0	0	0	112.2	M8 I9 L15 L16	M8-L12 HydrophobicContact CE-CD1 4.1Å; M8-L12 HydrophobicContact CG-CD1 3.92Å; M8-L12 HydrophobicContact CG-CG 4.48Å; M8-L12 WeakPolarHBondContact O-CB 3.41Å; M8-L12 VanDerWaalsContact O-CG 3.24Å; M8-L12 WeakPolarHBondContact O-CG 3.38Å; M8-L12 PolarHBondContact O-N 3.18Å; I9-L12 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-L16 VanDerWaalsContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 PolarHBondContact O-N 3.29Å
13	L	97.9	Very high	96.6	Very high	99 Å²	99	100.3 Å²	100.3	52%	0.518	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-45.3	176.6	-174.1	71	0	0	0	111.3	I9 N10 L15 L16 L17	I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 PolarHBondContact O-N 3.1Å; N10-L13 PolarHBondContact O-N 3.44Å; L13-L15 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 3.35Å; L13-L17 HydrophobicContact CG-CD1 4.45Å; L13-L17 WeakPolarHBondContact O-CG 3.18Å; L13-L17 PolarHBondContact O-N 3.41Å
14	A	98.1	Very high	96.5	Very high	62 Å²	62	100 Å²	100	51%	0.512	53%	0.525	S	S	.	.	H	α-helix	trans	-61.4	-43.2	176.7	0	0	0	0	0	112.1	N10 T11 L17 M18	N10-A14 PolarHBondContact O-N 2.88Å; T11-A14 PolarHBondContact O-N 2.85Å; A14-L17 PolarHBondContact O-N 3.27Å; A14-M18 WeakPolarHBondContact O-CB 3.41Å; A14-M18 PolarHBondContact O-N 3.5Å
15	L	97.8	Very high	96.2	Very high	87 Å²	87	100 Å²	100	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-42.2	175.6	-73.9	170	0	0	0	112	T11 L12 L13 M18 I19	T11-L15 WeakPolarHBondContact O-CB 3.36Å; T11-L15 WeakPolarHBondContact O-CG 3.46Å; T11-L15 PolarHBondContact O-N 3.37Å; L12-L15 PolarHBondContact O-N 3.03Å; L13-L15 PolarHBondContact O-N 3.48Å; L15-M18 HydrophobicContact CD2-CE 3.79Å; L15-M18 PolarHBondContact O-N 3Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.31Å; L15-I19 PolarHBondContact O-N 3.21Å
16	L	97.7	Very high	95.6	Very high	91 Å²	91	104.1 Å²	104.1	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-62.2	-44.3	178.1	-179.8	144.4	0	0	0	111.3	L12 L13 M18 I19 I20	L12-L16 VanDerWaalsContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 3.35Å; L16-M18 VanDerWaalsContact C-N 3.34Å; L16-M18 PolarHBondContact O-N 3.14Å; L16-I19 PolarHBondContact O-N 3.48Å; L16-I20 HydrophobicContact CD2-CD1 3.49Å; L16-I20 VanDerWaalsContact CD2-CD1 3.49Å; L16-I20 HydrophobicContact CD2-CG1 4.46Å; L16-I20 HydrophobicContact CG-CD1 4.24Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.22Å; L16-I20 PolarHBondContact O-N 3.27Å
17	L	97.5	Very high	94.8	Very high	96 Å²	96	105.5 Å²	105.5	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-39.1	175.1	-69.6	172.9	0	0	0	111.9	L13 A14 I20 T21	L13-L17 HydrophobicContact CG-CD1 4.45Å; L13-L17 WeakPolarHBondContact O-CG 3.18Å; L13-L17 PolarHBondContact O-N 3.41Å; A14-L17 PolarHBondContact O-N 3.27Å; L17-I20 PolarHBondContact O-N 3.46Å; L17-T21 WeakPolarHBondContact O-CB 3.46Å; L17-T21 WeakPolarHBondContact O-CG2 3.44Å; L17-T21 PolarHBondContact O-N 2.9Å; L17-T21 PolarHBondContact O-OG1 3.27Å
18	M	96.8	Very high	94.2	Very high	107 Å²	107	105.1 Å²	105.1	53%	0.527	54%	0.543	S	S	.	.	H	α-helix	trans	-63.6	-41.1	174.9	-175.9	-105.4	-74.2	0	0	112	A14 L15 L16 T21 F22	A14-M18 WeakPolarHBondContact O-CB 3.41Å; A14-M18 PolarHBondContact O-N 3.5Å; L15-M18 HydrophobicContact CD2-CE 3.79Å; L15-M18 PolarHBondContact O-N 3Å; L16-M18 VanDerWaalsContact C-N 3.34Å; L16-M18 PolarHBondContact O-N 3.14Å; M18-T21 WeakPolarHBondContact CA-OG1 3.46Å; M18-T21 PolarHBondContact O-N 3.26Å; M18-T21 PolarHBondContact O-OG1 3.22Å; M18-F22 WeakPolarHBondContact O-CB 3.21Å; M18-F22 PolarHBondContact O-N 3.46Å
19	I	96.4	Very high	93.5	Very high	91 Å²	91	103.5 Å²	103.5	47%	0.467	56%	0.556	S	S	.	*	H	α-helix	trans	-63.7	-47.5	174.9	-67.8	162.7	0	0	0	110.4	L15 L16 T21 F22 W23	L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.31Å; L15-I19 PolarHBondContact O-N 3.21Å; L16-I19 PolarHBondContact O-N 3.48Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 3.08Å; I19-F22 PolarHBondContact O-N 3.11Å; I19-W23 HydrophobicContact CG2-CG 4.46Å; I19-W23 WeakPolarHBondContact O-CB 3.47Å; I19-W23 PolarHBondContact O-N 3.32Å
20	I	96.3	Very high	93	Very high	78 Å²	78	105.2 Å²	105.2	40%	0.4	56%	0.556	S	S	.	*	H	α-helix	trans	-59.3	-46.8	178.9	-67.7	169.4	0	0	0	110.4	L16 L17 F22 W23 L24	L16-I20 HydrophobicContact CD2-CD1 3.49Å; L16-I20 VanDerWaalsContact CD2-CD1 3.49Å; L16-I20 HydrophobicContact CD2-CG1 4.46Å; L16-I20 HydrophobicContact CG-CD1 4.24Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.22Å; L16-I20 PolarHBondContact O-N 3.27Å; L17-I20 PolarHBondContact O-N 3.46Å; I20-F22 VanDerWaalsContact C-N 3.3Å; I20-F22 PolarHBondContact O-N 3.22Å; I20-W23 PolarHBondContact O-N 3.02Å; I20-L24 HydrophobicContact CG2-CB 4.26Å; I20-L24 HydrophobicContact CG2-CD1 4.23Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 PolarHBondContact O-N 3.45Å
21	T	95	Very high	92.4	Very high	99 Å²	99	107.7 Å²	107.7	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-66.7	-28.7	-178.6	51.3	0	0	0	0	113.6	L17 M18 I19 P25	L17-T21 WeakPolarHBondContact O-CB 3.46Å; L17-T21 WeakPolarHBondContact O-CG2 3.44Å; L17-T21 PolarHBondContact O-N 2.9Å; L17-T21 PolarHBondContact O-OG1 3.27Å; M18-T21 WeakPolarHBondContact CA-OG1 3.46Å; M18-T21 PolarHBondContact O-N 3.26Å; M18-T21 PolarHBondContact O-OG1 3.22Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 3.08Å; T21-P25 WeakPolarHBondContact O-CD 3.44Å; T21-P25 WeakPolarHBondContact O-CG 3.47Å
22	F	91.8	Very high	91.7	Very high	126 Å²	126	111.1 Å²	111.1	55%	0.553	58%	0.577	S	S	*	*	H	α-helix	trans	-82.3	-36.1	177.2	-165.3	-96.5	0	0	0	113.1	M18 I19 I20	M18-F22 WeakPolarHBondContact O-CB 3.21Å; M18-F22 PolarHBondContact O-N 3.46Å; I19-F22 PolarHBondContact O-N 3.11Å; I20-F22 VanDerWaalsContact C-N 3.3Å; I20-F22 PolarHBondContact O-N 3.22Å
23	W	92.1	Very high	91.1	Very high	201 Å²	201	113.5 Å²	113.5	76%	0.761	58%	0.583	S	S	*	*	H	α-helix	trans	-99.8	-24.2	-170.6	-69.9	86.1	0	0	0	115	I19 I20	I19-W23 HydrophobicContact CG2-CG 4.46Å; I19-W23 WeakPolarHBondContact O-CB 3.47Å; I19-W23 PolarHBondContact O-N 3.32Å; I20-W23 PolarHBondContact O-N 3.02Å
24	L	92.4	Very high	90.6	Very high	146 Å²	146	113 Å²	113	76%	0.764	59%	0.588	S	S	*	*	S	Bend	trans	-74.2	-38.1	179.2	-161.9	116.7	0	0	0	114.6	I20	I20-L24 HydrophobicContact CG2-CB 4.26Å; I20-L24 HydrophobicContact CG2-CD1 4.23Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 PolarHBondContact O-N 3.45Å
25	P	90.4	Very high	90.1	Very high	64 Å²	64	113.1 Å²	113.1	42%	0.416	58%	0.582	S	S	.	*	S	Bend	trans	-78	150.4	-179.2	29	-31.6	0	0	0	112.7	T21 L27	T21-P25 WeakPolarHBondContact O-CD 3.44Å; T21-P25 WeakPolarHBondContact O-CG 3.47Å; P25-L27 PolarHBondContact O-N 3.27Å
26	Q	83.8	Confident	89.7	Confident	172 Å²	172	113.2 Å²	113.2	80%	0.804	59%	0.588	S	S	*	*			trans	-76	111.4	174.6	-169.2	175.2	0.4	0	0	110.6	N28	Q26-N28 PolarHBondContact O-N 3.47Å
27	L	81.6	Confident	89.2	Confident	123 Å²	123	118.4 Å²	118.4	64%	0.644	60%	0.603	S	S	*	*			trans	-87.1	98.3	-178.3	-63.3	171	0	0	0	111	P25	P25-L27 PolarHBondContact O-N 3.27Å
28	N	83.8	Confident	88.7	Confident	77 Å²	77	117.2 Å²	117.2	41%	0.412	60%	0.595	S	S	.	*			trans	-98.5	96.6	168.4	-71.5	-12.7	0	0	0	109.6	Q26 Y30 K33	Q26-N28 PolarHBondContact O-N 3.47Å; N28-Y30 HydrophobicContact CB-CD2 4.47Å; N28-Y30 HydrophobicContact CB-CE2 3.8Å; N28-Y30 PolarHBondContact O-N 2.9Å; N28-K33 WeakPolarHBondContact O-CD 3.44Å; N28-K33 PolarHBondContact O-NZ 3.01Å
29	G	82.9	Confident	88.3	Confident	78 Å²	78	116.8 Å²	116.8	80%	0.804	60%	0.601	S	S	*	*			trans	-82.1	109.2	179.6	0	0	0	0	0	112.3
30	Y	87.5	Confident	87.8	Confident	144 Å²	144	115.7 Å²	115.7	57%	0.565	61%	0.613	S	S	*	*			trans	-115.1	150.5	169.1	-58.3	-74.3	0	0	0	108.5	N28 E32 K33 S34	N28-Y30 HydrophobicContact CB-CD2 4.47Å; N28-Y30 HydrophobicContact CB-CE2 3.8Å; N28-Y30 PolarHBondContact O-N 2.9Å; Y30-E32 VanDerWaalsContact C-N 3.25Å; Y30-E32 PolarHBondContact O-N 3.02Å; Y30-K33 HydrophobicContact CD2-CD 4.05Å; Y30-K33 PolarHBondContact O-N 2.91Å; Y30-S34 PolarHBondContact O-N 3.01Å
31	M	84.6	Confident	87.3	Confident	146 Å²	146	119.1 Å²	119.1	72%	0.719	63%	0.625	S	S	*	*	H	α-helix	trans	-52	-45	-179.9	-73.3	-62.9	-64.2	0	0	112	K33 S34 T35	M31-K33 PolarHBondContact O-N 3.33Å; M31-S34 WeakPolarHBondContact O-CA 3.48Å; M31-S34 PolarHBondContact O-N 3.12Å; M31-S34 PolarHBondContact O-OG 3.07Å; M31-T35 PolarHBondContact O-N 3.02Å
32	E	82.9	Confident	87	Confident	152 Å²	152	120.6 Å²	120.6	71%	0.71	63%	0.629	S	S	*	*	H	α-helix	trans	-64.4	-20.4	178.4	-57	-58.1	159	0	0	115	Y30 T35	Y30-E32 VanDerWaalsContact C-N 3.25Å; Y30-E32 PolarHBondContact O-N 3.02Å; E32-T35 PolarHBondContact O-OG1 3.26Å
33	K	85.6	Confident	86.7	Confident	144 Å²	144	117.7 Å²	117.7	63%	0.626	62%	0.622	S	S	*	*	H	α-helix	trans	-86	-16.2	173.4	-69.4	-173.6	179.9	178.4	0	112.4	N28 Y30 M31	N28-K33 WeakPolarHBondContact O-CD 3.44Å; N28-K33 PolarHBondContact O-NZ 3.01Å; Y30-K33 HydrophobicContact CD2-CD 4.05Å; Y30-K33 PolarHBondContact O-N 2.91Å; M31-K33 PolarHBondContact O-N 3.33Å
34	S	87.8	Confident	86.3	Confident	88 Å²	88	115.6 Å²	115.6	62%	0.615	62%	0.623	S	S	*	*	H	α-helix	trans	-99.4	-7.1	179.6	63.4	0	0	0	0	113.2	Y30 M31	Y30-S34 PolarHBondContact O-N 3.01Å; M31-S34 WeakPolarHBondContact O-CA 3.48Å; M31-S34 PolarHBondContact O-N 3.12Å; M31-S34 PolarHBondContact O-OG 3.07Å
35	T	87.5	Confident	85.9	Confident	65 Å²	65	111.8 Å²	111.8	40%	0.399	61%	0.609	S	S	.	*	S	Bend	trans	-77.2	149.3	173.3	47.7	0	0	0	0	111	M31 E32	M31-T35 PolarHBondContact O-N 3.02Å; E32-T35 PolarHBondContact O-OG1 3.26Å
36	P	88.7	Confident	85.6	Confident	90 Å²	90	113.5 Å²	113.5	58%	0.584	62%	0.62	S	S	*	*			trans	-62.7	138.1	175.5	27.2	-36	0	0	0	111.1	P43	P36-P43 HydrophobicContact CB-CG 4.32Å; P36-P43 HydrophobicContact CG-CG 3.46Å; P36-P43 VanDerWaalsContact CG-CG 3.46Å
37	Y	87	Confident	85.5	Confident	200 Å²	200	110.3 Å²	110.3	78%	0.784	62%	0.623	S	S	*	*			trans	-86.1	114.2	178.6	178.5	-97.2	0	0	0	111.2
38	E	88.8	Confident	85.5	Confident	71 Å²	71	116 Å²	116	33%	0.332	64%	0.636	S	S	.	*	B	Isolated β-bridge	trans	-119	67.2	171.6	-166.6	173.1	-173.7	0	0	109.9	G40 F41 P43 M44	E38-G40 PolarHBondContact O-N 3.15Å; E38-G40 VanDerWaalsContact O-N 3.11Å; E38-F41 PolarHBondContact O-N 3.21Å; E38-P43 WeakPolarHBondContact OE2-CA 3.28Å; E38-P43 VanDerWaalsContact OE2-CB 3.26Å; E38-P43 WeakPolarHBondContact OE2-CB 3.34Å; E38-M44 PolarHBondContact OE2-N 3.2Å
39	C	87.3	Confident	85.4	Confident	98 Å²	98	116.9 Å²	116.9	66%	0.662	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.2	28.5	178.6	-61.9	0	0	0	0	114.8
40	G	86.4	Confident	85.3	Confident	68 Å²	68	119.4 Å²	119.4	70%	0.701	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.4	5.7	-177.5	0	0	0	0	0	114.9	E38	E38-G40 PolarHBondContact O-N 3.15Å; E38-G40 VanDerWaalsContact O-N 3.11Å
41	F	86	Confident	84.8	Confident	150 Å²	150	119.4 Å²	119.4	66%	0.658	65%	0.649	S	S	*	*	B	Isolated β-bridge	trans	-109.9	163.1	173.8	-61.5	-83.9	0	0	0	111.5	E38	E38-F41 PolarHBondContact O-N 3.21Å
42	D	88	Confident	84.8	Confident	130 Å²	130	114.8 Å²	114.8	70%	0.695	63%	0.632	S	S	*	*			trans	-75.4	136.5	171.8	-71.3	-36.5	0	0	0	111.1	M44	D42-M44 PolarHBondContact O-N 3.03Å
43	P	86.2	Confident	84.8	Confident	64 Å²	64	114.5 Å²	114.5	42%	0.416	63%	0.632	S	S	.	*			trans	23.8	61.9	136.6	40.5	-27.7	0	0	0	122.2	P36 E38 S45	P36-P43 HydrophobicContact CB-CG 4.32Å; P36-P43 HydrophobicContact CG-CG 3.46Å; P36-P43 VanDerWaalsContact CG-CG 3.46Å; E38-P43 WeakPolarHBondContact OE2-CA 3.28Å; E38-P43 VanDerWaalsContact OE2-CB 3.26Å; E38-P43 WeakPolarHBondContact OE2-CB 3.34Å; P43-S45 VanDerWaalsContact C-N 3.3Å; P43-S45 PolarHBondContact O-N 3.09Å
44	M	83.6	Confident	84.7	Confident	158 Å²	158	111.9 Å²	111.9	78%	0.778	62%	0.621	S	S	*	*	S	Bend	trans	-69.9	-32.2	178	-72.5	-66.4	-175.1	0	0	112.2	E38 D42	E38-M44 PolarHBondContact OE2-N 3.2Å; D42-M44 PolarHBondContact O-N 3.03Å
45	S	83.4	Confident	84.6	Confident	66 Å²	66	112.5 Å²	112.5	46%	0.462	61%	0.612	S	S	.	*	S	Bend	trans	-151.1	158.8	176.8	68.5	0	0	0	0	110.7	P43 A47	P43-S45 VanDerWaalsContact C-N 3.3Å; P43-S45 PolarHBondContact O-N 3.09Å; S45-A47 PolarHBondContact O-N 3.29Å
46	P	83.6	Confident	84.6	Confident	100 Å²	100	114.6 Å²	114.6	65%	0.649	62%	0.616	S	S	*	*			trans	-62.4	138.1	173	26.6	-34.6	0	0	0	110.8	R48	P46-R48 PolarHBondContact O-N 3.4Å
47	A	82.5	Confident	84.6	Confident	105 Å²	105	113.6 Å²	113.6	87%	0.868	61%	0.606	S	S	*	*	S	Bend	trans	-60	-17	178.5	0	0	0	0	0	114.3	S45 V49	S45-A47 PolarHBondContact O-N 3.29Å; A47-V49 PolarHBondContact O-N 3.28Å
48	R	81.9	Confident	84.8	Confident	241 Å²	241	106.6 Å²	106.6	91%	0.909	58%	0.583	S	S	*	*			trans	-88.5	86.1	174	-65.5	-172.7	-175.8	-174.8	2	109.7	P46	P46-R48 PolarHBondContact O-N 3.4Å
49	V	80.4	Confident	84.9	Confident	97 Å²	97	105.8 Å²	105.8	59%	0.588	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-90.9	155.2	173.4	-69.4	0	0	0	0	111.1	A47 F51	A47-V49 PolarHBondContact O-N 3.28Å; V49-F51 PolarHBondContact O-N 3.04Å
50	P	81.1	Confident	85.2	Confident	130 Å²	130	104.8 Å²	104.8	84%	0.844	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-55.3	127.4	172	23.2	-33.4	0	0	0	110.2
51	F	77.8	Confident	85.5	Confident	144 Å²	144	102.7 Å²	102.7	63%	0.632	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-77	146.4	-176.3	-172.1	-112.1	0	0	0	111.1	V49 M53 F55	V49-F51 PolarHBondContact O-N 3.04Å; F51-M53 PolarHBondContact O-N 3.25Å; F51-F55 HydrophobicContact CD1-CB 4.33Å; F51-F55 HydrophobicContact CE1-CB 3.28Å; F51-F55 HydrophobicContact CE1-CD2 4.36Å; F51-F55 HydrophobicContact CE1-CG 4.27Å; F51-F55 HydrophobicContact CE2-CB 4.08Å; F51-F55 AromaticContact CE2-CD2 3.81Å; F51-F55 HydrophobicContact CE2-CD2 3.81Å; F51-F55 HydrophobicContact CE2-CG 4.26Å; F51-F55 HydrophobicContact CZ-CB 3.14Å; F51-F55 AromaticContact CZ-CD2 3.75Å; F51-F55 HydrophobicContact CZ-CD2 3.75Å; F51-F55 AromaticContact CZ-CG 3.74Å; F51-F55 HydrophobicContact CZ-CG 3.74Å
52	S	83.7	Confident	85.9	Confident	50 Å²	50	102.1 Å²	102.1	35%	0.35	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-71	134.1	179	86.1	0	0	0	0	110.6	K54 F55	S52-K54 PolarHBondContact O-N 3.36Å; S52-F55 PolarHBondContact O-N 3.21Å; S52-F55 WeakPolarHBondContact OG-CD2 3.34Å; S52-F55 WeakPolarHBondContact OG-CE2 3.43Å
53	M	83.1	Confident	86.3	Confident	145 Å²	145	101.2 Å²	101.2	71%	0.714	54%	0.542	S	S	*	.	H	α-helix	trans	-64.1	-21.2	178.5	-68.1	-64.6	-77.9	0	0	112.7	F51 F56 L57	F51-M53 PolarHBondContact O-N 3.25Å; M53-F56 HydrophobicContact CE-CD1 4.46Å; M53-F56 WeakPolarHBondContact O-CB 3.33Å; M53-F56 PolarHBondContact O-N 3.39Å; M53-L57 PolarHBondContact O-N 3.37Å
54	K	84.1	Confident	86.7	Confident	90 Å²	90	102.5 Å²	102.5	39%	0.391	55%	0.545	S	S	.	.	H	α-helix	trans	-64.3	-45.6	178.4	-64.5	-171.6	-179.8	-172.1	0	111.6	S52 F56 L57 V58 D112 T114	S52-K54 PolarHBondContact O-N 3.36Å; K54-F56 PolarHBondContact O-N 3.34Å; K54-L57 WeakPolarHBondContact O-CB 3.45Å; K54-L57 PolarHBondContact O-N 3.34Å; K54-V58 PolarHBondContact O-N 2.9Å; K54-V58 VanDerWaalsContact O-N 3.11Å; K54-D112 PolarHBondContact NZ-O 2.9Å; K54-T114 PolarHBondContact NZ-O 3Å; K54-T114 PolarHBondContact NZ-OG1 3.36Å; K54-T114 VanDerWaalsContact NZ-OG1 3.14Å
55	F	84.6	Confident	87.3	Confident	101 Å²	101	97 Å²	97	44%	0.443	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-31.2	176.5	-69.2	-55.6	0	0	0	112.4	F51 S52 A59 W113	F51-F55 HydrophobicContact CD1-CB 4.33Å; F51-F55 HydrophobicContact CE1-CB 3.28Å; F51-F55 HydrophobicContact CE1-CD2 4.36Å; F51-F55 HydrophobicContact CE1-CG 4.27Å; F51-F55 HydrophobicContact CE2-CB 4.08Å; F51-F55 AromaticContact CE2-CD2 3.81Å; F51-F55 HydrophobicContact CE2-CD2 3.81Å; F51-F55 HydrophobicContact CE2-CG 4.26Å; F51-F55 HydrophobicContact CZ-CB 3.14Å; F51-F55 AromaticContact CZ-CD2 3.75Å; F51-F55 HydrophobicContact CZ-CD2 3.75Å; F51-F55 AromaticContact CZ-CG 3.74Å; F51-F55 HydrophobicContact CZ-CG 3.74Å; S52-F55 PolarHBondContact O-N 3.21Å; S52-F55 WeakPolarHBondContact OG-CD2 3.34Å; S52-F55 WeakPolarHBondContact OG-CE2 3.43Å; F55-A59 PolarHBondContact O-N 3.11Å; F55-W113 AromaticContact CE1-CH2 3.99Å; F55-W113 HydrophobicContact CE1-CH2 3.99Å; F55-W113 HydrophobicContact CE1-CZ2 4.37Å
56	F	87.8	Confident	87.9	Confident	109 Å²	109	98.2 Å²	98.2	48%	0.478	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-41	173.6	177	-104.7	0	0	0	112	M53 K54 A59 I60	M53-F56 HydrophobicContact CE-CD1 4.46Å; M53-F56 WeakPolarHBondContact O-CB 3.33Å; M53-F56 PolarHBondContact O-N 3.39Å; K54-F56 PolarHBondContact O-N 3.34Å; F56-A59 WeakPolarHBondContact O-CB 3.45Å; F56-A59 PolarHBondContact O-N 3.01Å; F56-I60 HydrophobicContact CD1-CD1 3.92Å; F56-I60 HydrophobicContact CE1-CD1 3.3Å; F56-I60 HydrophobicContact CE1-CG1 4.31Å; F56-I60 HydrophobicContact CE2-CD1 4.24Å; F56-I60 HydrophobicContact CZ-CD1 3.5Å; F56-I60 VanDerWaalsContact CZ-CD1 3.5Å; F56-I60 HydrophobicContact CZ-CG1 4.2Å; F56-I60 PolarHBondContact O-N 3.14Å; F56-I60 VanDerWaalsContact O-N 3.11Å
57	L	89.1	Confident	88.5	Confident	69 Å²	69	98.2 Å²	98.2	36%	0.361	51%	0.512	S	S	.	.	H	α-helix	trans	-60.6	-46.6	175.7	-165.7	156.4	0	0	0	110.9	M53 K54 A59 I60 T61 E105	M53-L57 PolarHBondContact O-N 3.37Å; K54-L57 WeakPolarHBondContact O-CB 3.45Å; K54-L57 PolarHBondContact O-N 3.34Å; L57-A59 VanDerWaalsContact C-N 3.28Å; L57-A59 PolarHBondContact O-N 3.11Å; L57-I60 PolarHBondContact O-N 3.38Å; L57-I60 VanDerWaalsContact O-N 3.14Å; L57-T61 HydrophobicContact CD2-CG2 4.09Å; L57-T61 PolarHBondContact O-N 2.96Å; L57-T61 PolarHBondContact O-OG1 3.21Å; L57-E105 HydrophobicContact CD2-CG 4.46Å; L57-E105 VanDerWaalsContact CD2-OE1 3.23Å; L57-E105 WeakPolarHBondContact CD2-OE1 3.12Å
58	V	90.6	Very high	89.1	Confident	53 Å²	53	95 Å²	95	32%	0.321	48%	0.479	S	S	.	.	H	α-helix	trans	-59.2	-38.4	175.3	175.6	0	0	0	0	112	K54 T61 F62	K54-V58 PolarHBondContact O-N 2.9Å; K54-V58 VanDerWaalsContact O-N 3.11Å; V58-T61 PolarHBondContact O-N 3.15Å; V58-T61 PolarHBondContact O-OG1 3.08Å; V58-F62 VanDerWaalsContact O-CB 3.29Å; V58-F62 WeakPolarHBondContact O-CB 3.46Å; V58-F62 PolarHBondContact O-N 3.49Å
59	A	92.4	Very high	89.8	Confident	54 Å²	54	88 Å²	88	45%	0.446	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-37.7	177.6	0	0	0	0	0	112.5	F55 F56 L57 L63	F55-A59 PolarHBondContact O-N 3.11Å; F56-A59 WeakPolarHBondContact O-CB 3.45Å; F56-A59 PolarHBondContact O-N 3.01Å; L57-A59 VanDerWaalsContact C-N 3.28Å; L57-A59 PolarHBondContact O-N 3.11Å; A59-L63 WeakPolarHBondContact O-CB 3.38Å; A59-L63 PolarHBondContact O-N 3.4Å; A59-L63 VanDerWaalsContact O-N 3.08Å
60	I	93	Very high	90.5	Very high	76 Å²	76	86.3 Å²	86.3	39%	0.39	46%	0.455	S	S	.	.	H	α-helix	trans	-67.4	-44.6	175.3	-68.8	170.8	0	0	0	110.5	F56 L57 F62 L63 L64	F56-I60 HydrophobicContact CD1-CD1 3.92Å; F56-I60 HydrophobicContact CE1-CD1 3.3Å; F56-I60 HydrophobicContact CE1-CG1 4.31Å; F56-I60 HydrophobicContact CE2-CD1 4.24Å; F56-I60 HydrophobicContact CZ-CD1 3.5Å; F56-I60 VanDerWaalsContact CZ-CD1 3.5Å; F56-I60 HydrophobicContact CZ-CG1 4.2Å; F56-I60 PolarHBondContact O-N 3.14Å; F56-I60 VanDerWaalsContact O-N 3.11Å; L57-I60 PolarHBondContact O-N 3.38Å; L57-I60 VanDerWaalsContact O-N 3.14Å; I60-F62 VanDerWaalsContact C-N 3.35Å; I60-L63 WeakPolarHBondContact O-CB 3.25Å; I60-L63 PolarHBondContact O-N 3.01Å; I60-L63 VanDerWaalsContact O-N 3.15Å; I60-L64 HydrophobicContact CG2-CD1 4.25Å; I60-L64 PolarHBondContact O-N 3.45Å
61	T	92.6	Very high	91.2	Very high	25 Å²	25	85 Å²	85	15%	0.153	44%	0.44	C	S	.	.	H	α-helix	trans	-70.8	-34	-177.7	58.5	0	0	0	0	112	L57 V58 L63 L64 F65 E105	L57-T61 HydrophobicContact CD2-CG2 4.09Å; L57-T61 PolarHBondContact O-N 2.96Å; L57-T61 PolarHBondContact O-OG1 3.21Å; V58-T61 PolarHBondContact O-N 3.15Å; V58-T61 PolarHBondContact O-OG1 3.08Å; T61-L63 PolarHBondContact O-N 2.98Å; T61-L64 PolarHBondContact O-N 3.36Å; T61-F65 VanDerWaalsContact O-CD2 3.24Å; T61-F65 WeakPolarHBondContact O-CD2 3.38Å; T61-F65 WeakPolarHBondContact O-CG 3.4Å; T61-F65 PolarHBondContact O-N 2.89Å; T61-E105 WeakPolarHBondContact CB-OE1 3.31Å; T61-E105 WeakPolarHBondContact CB-OE2 3.39Å; T61-E105 HydrophobicContact CG2-CG 4.44Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.35Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.33Å; T61-E105 PolarHBondContact OG1-OE1 2.93Å
62	F	94.4	Very high	92.1	Very high	137 Å²	137	79.7 Å²	79.7	60%	0.601	42%	0.418	S	S	*	.	H	α-helix	trans	-56.3	-47.6	165.2	173.5	-102.5	0	0	0	112.5	V58 I60 L64 F65 D66	V58-F62 VanDerWaalsContact O-CB 3.29Å; V58-F62 WeakPolarHBondContact O-CB 3.46Å; V58-F62 PolarHBondContact O-N 3.49Å; I60-F62 VanDerWaalsContact C-N 3.35Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.39Å; F62-F65 PolarHBondContact O-N 2.93Å; F62-D66 WeakPolarHBondContact O-CB 3.05Å; F62-D66 PolarHBondContact O-N 2.87Å
63	L	95.7	Very high	92.7	Very high	112 Å²	112	82.7 Å²	82.7	59%	0.586	43%	0.43	S	S	*	.	H	α-helix	trans	-62.6	-40.7	-179.7	-178.2	149.3	0	0	0	112.4	A59 I60 T61 L67	A59-L63 WeakPolarHBondContact O-CB 3.38Å; A59-L63 PolarHBondContact O-N 3.4Å; A59-L63 VanDerWaalsContact O-N 3.08Å; I60-L63 WeakPolarHBondContact O-CB 3.25Å; I60-L63 PolarHBondContact O-N 3.01Å; I60-L63 VanDerWaalsContact O-N 3.15Å; T61-L63 PolarHBondContact O-N 2.98Å; L63-L67 PolarHBondContact O-N 3.42Å
64	L	95.3	Very high	93.2	Very high	91 Å²	91	78.5 Å²	78.5	48%	0.476	41%	0.413	S	S	.	.	H	α-helix	trans	-67.1	-44.9	177.1	-68.2	175.7	0	0	0	111.5	I60 T61 F62 D66 L67 E68	I60-L64 HydrophobicContact CG2-CD1 4.25Å; I60-L64 PolarHBondContact O-N 3.45Å; T61-L64 PolarHBondContact O-N 3.36Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.39Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.44Å; L64-L67 WeakPolarHBondContact O-CB 3.35Å; L64-L67 PolarHBondContact O-N 3.15Å; L64-E68 PolarHBondContact O-N 3.02Å; L64-E68 VanDerWaalsContact O-N 3.14Å
65	F	95.5	Very high	93.7	Very high	41 Å²	41	76.7 Å²	76.7	18%	0.18	41%	0.408	C	S	.	.	H	α-helix	trans	-66	-33.9	177	-68.8	-36.6	0	0	0	113	T61 F62 L67 E68 I69 L98 S101 L102	T61-F65 VanDerWaalsContact O-CD2 3.24Å; T61-F65 WeakPolarHBondContact O-CD2 3.38Å; T61-F65 WeakPolarHBondContact O-CG 3.4Å; T61-F65 PolarHBondContact O-N 2.89Å; F62-F65 PolarHBondContact O-N 2.93Å; F65-L67 VanDerWaalsContact C-N 3.31Å; F65-L67 PolarHBondContact O-N 3.33Å; F65-E68 PolarHBondContact O-N 3.26Å; F65-I69 WeakPolarHBondContact O-CB 3.49Å; F65-I69 VanDerWaalsContact O-CG1 3.26Å; F65-I69 WeakPolarHBondContact O-CG1 3.23Å; F65-I69 PolarHBondContact O-N 2.89Å; F65-L98 HydrophobicContact CD1-CG 4.19Å; F65-L98 HydrophobicContact CE1-CG 4.34Å; F65-S101 WeakPolarHBondContact CE1-OG 3.37Å; F65-L102 HydrophobicContact CE1-CB 4.49Å; F65-L102 HydrophobicContact CE2-CD1 3.93Å; F65-L102 HydrophobicContact CZ-CB 3.9Å; F65-L102 HydrophobicContact CZ-CD1 3.88Å; F65-L102 HydrophobicContact CZ-CG 4.5Å
66	D	96.8	Very high	94.2	Very high	92 Å²	92	75.9 Å²	75.9	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-38.9	175.2	-166.5	36.3	0	0	0	111.5	F62 L64 I69 A70	F62-D66 WeakPolarHBondContact O-CB 3.05Å; F62-D66 PolarHBondContact O-N 2.87Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.44Å; D66-I69 PolarHBondContact O-N 3Å; D66-A70 WeakPolarHBondContact O-CB 3.48Å; D66-A70 PolarHBondContact O-N 3.45Å
67	L	96.4	Very high	94.5	Very high	101 Å²	101	79.1 Å²	79.1	53%	0.529	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-46	173.1	-170.1	162	0	0	0	111.4	L63 L64 F65 I69 A70 L71	L63-L67 PolarHBondContact O-N 3.42Å; L64-L67 WeakPolarHBondContact O-CB 3.35Å; L64-L67 PolarHBondContact O-N 3.15Å; F65-L67 VanDerWaalsContact C-N 3.31Å; F65-L67 PolarHBondContact O-N 3.33Å; L67-I69 VanDerWaalsContact C-N 3.35Å; L67-I69 PolarHBondContact O-N 3.5Å; L67-A70 WeakPolarHBondContact O-CB 3.3Å; L67-A70 PolarHBondContact O-N 3.19Å; L67-L71 HydrophobicContact CD2-CD1 3.79Å; L67-L71 HydrophobicContact CD2-CG 4.2Å; L67-L71 PolarHBondContact O-N 3.28Å; L67-L71 VanDerWaalsContact O-N 3.08Å
68	E	94.7	Very high	94.8	Very high	38 Å²	38	77 Å²	77	18%	0.178	42%	0.415	C	S	.	.	H	α-helix	trans	-65.1	-37.6	178.5	-67.4	-178.1	176.4	0	0	112.2	L64 F65 L71 L72 L94 L98	L64-E68 PolarHBondContact O-N 3.02Å; L64-E68 VanDerWaalsContact O-N 3.14Å; F65-E68 PolarHBondContact O-N 3.26Å; E68-L71 WeakPolarHBondContact O-CB 3.47Å; E68-L71 PolarHBondContact O-N 3.1Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 3.13Å; E68-L72 VanDerWaalsContact O-N 3.11Å; E68-L94 HydrophobicContact CB-CD2 4.45Å; E68-L98 HydrophobicContact CB-CD1 3.97Å; E68-L98 WeakPolarHBondContact OE2-CA 3.24Å; E68-L98 WeakPolarHBondContact OE2-CB 3.38Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.4Å; E68-L98 WeakPolarHBondContact OE2-CG 3.48Å
69	I	95.9	Very high	94.9	Very high	93 Å²	93	79.8 Å²	79.8	48%	0.477	43%	0.427	S	S	.	.	H	α-helix	trans	-64.7	-40.8	173.1	-69.5	165	0	0	0	110.7	F65 D66 L67 L71 L72 L73	F65-I69 WeakPolarHBondContact O-CB 3.49Å; F65-I69 VanDerWaalsContact O-CG1 3.26Å; F65-I69 WeakPolarHBondContact O-CG1 3.23Å; F65-I69 PolarHBondContact O-N 2.89Å; D66-I69 PolarHBondContact O-N 3Å; L67-I69 VanDerWaalsContact C-N 3.35Å; L67-I69 PolarHBondContact O-N 3.5Å; I69-L71 PolarHBondContact O-N 2.97Å; I69-L72 CarbonylContact O-C 3.57Å; I69-L72 PolarHBondContact O-N 3.36Å; I69-L73 PolarHBondContact O-N 3.36Å
70	A	96.9	Very high	94.9	Very high	61 Å²	61	85.1 Å²	85.1	50%	0.504	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-35.1	175.1	0	0	0	0	0	111.9	D66 L67 P74	D66-A70 WeakPolarHBondContact O-CB 3.48Å; D66-A70 PolarHBondContact O-N 3.45Å; L67-A70 WeakPolarHBondContact O-CB 3.3Å; L67-A70 PolarHBondContact O-N 3.19Å; A70-P74 WeakPolarHBondContact O-CD 3.26Å
71	L	95.2	Very high	95	Very high	102 Å²	102	84.6 Å²	84.6	53%	0.534	44%	0.443	S	S	.	.	H	α-helix	trans	-70	-29.1	172.9	-66.3	173.5	0	0	0	113.2	L67 E68 I69 P74 L94	L67-L71 HydrophobicContact CD2-CD1 3.79Å; L67-L71 HydrophobicContact CD2-CG 4.2Å; L67-L71 PolarHBondContact O-N 3.28Å; L67-L71 VanDerWaalsContact O-N 3.08Å; E68-L71 WeakPolarHBondContact O-CB 3.47Å; E68-L71 PolarHBondContact O-N 3.1Å; I69-L71 PolarHBondContact O-N 2.97Å; L71-P74 WeakPolarHBondContact O-CD 3.15Å; L71-L94 HydrophobicContact CB-CD1 3.88Å; L71-L94 HydrophobicContact CD1-CD1 4.41Å
72	L	95.6	Very high	95	Very high	34 Å²	34	90 Å²	90	18%	0.178	48%	0.476	C	S	.	.	H	α-helix	trans	-82.7	-23.1	176.5	-70.2	171.2	0	0	0	113.6	E68 I69 P74 L75 L94 I95 L98	E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 3.13Å; E68-L72 VanDerWaalsContact O-N 3.11Å; I69-L72 CarbonylContact O-C 3.57Å; I69-L72 PolarHBondContact O-N 3.36Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; L72-L75 HydrophobicContact CB-CD1 4.24Å; L72-L75 HydrophobicContact CD2-CD1 3.65Å; L72-L75 HydrophobicContact CD2-CG 4.48Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 WeakPolarHBondContact O-CD1 3.43Å; L72-L75 WeakPolarHBondContact O-CG 3.18Å; L72-L75 PolarHBondContact O-N 3.06Å; L72-L75 VanDerWaalsContact O-N 3.12Å; L72-L94 HydrophobicContact CD1-CD2 4.12Å; L72-L94 HydrophobicContact CD2-CB 4.37Å; L72-L94 HydrophobicContact CD2-CD1 4.33Å; L72-L94 HydrophobicContact CD2-CD2 3.89Å; L72-L94 HydrophobicContact CD2-CG 4.41Å; L72-L94 HydrophobicContact CG-CD2 3.81Å; L72-I95 HydrophobicContact CD1-CG1 4.33Å; L72-I95 HydrophobicContact CD2-CG1 3.99Å; L72-L98 HydrophobicContact CD1-CD1 4.37Å
73	L	96.6	Very high	95	Very high	112 Å²	112	88.2 Å²	88.2	59%	0.586	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-39.8	-179.5	-160.9	152.5	0	0	0	115	I69 L75 P76 W77	I69-L73 PolarHBondContact O-N 3.36Å; L73-L75 PolarHBondContact O-N 3.18Å; L73-P76 WeakPolarHBondContact O-CD 3.33Å; L73-W77 HydrophobicContact CD2-CH2 4.44Å; L73-W77 HydrophobicContact CD2-CZ3 4.25Å
74	P	94.7	Very high	94.9	Very high	58 Å²	58	87 Å²	87	38%	0.377	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	1.3	179.9	29.7	-36.6	0	0	0	115.2	A70 L71 L72 P76 W77 A78	A70-P74 WeakPolarHBondContact O-CD 3.26Å; L71-P74 WeakPolarHBondContact O-CD 3.15Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; P74-P76 VanDerWaalsContact C-CD 3.45Å; P74-W77 HydrophobicContact CB-CE3 4.02Å; P74-W77 HydrophobicContact CB-CZ3 4.45Å; P74-W77 PolarHBondContact O-N 3.11Å; P74-W77 VanDerWaalsContact O-N 3.09Å; P74-A78 PolarHBondContact O-N 3.43Å
75	L	94.6	Very high	94.9	Very high	51 Å²	51	87.2 Å²	87.2	27%	0.267	47%	0.473	S	S	.	.	H	α-helix	trans	-54.7	-40.4	-178.7	-74.7	175.3	0	0	0	115	L72 L73 W77 A78 L79 S91	L72-L75 HydrophobicContact CB-CD1 4.24Å; L72-L75 HydrophobicContact CD2-CD1 3.65Å; L72-L75 HydrophobicContact CD2-CG 4.48Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 WeakPolarHBondContact O-CD1 3.43Å; L72-L75 WeakPolarHBondContact O-CG 3.18Å; L72-L75 PolarHBondContact O-N 3.06Å; L72-L75 VanDerWaalsContact O-N 3.12Å; L73-L75 PolarHBondContact O-N 3.18Å; L75-W77 PolarHBondContact O-N 2.96Å; L75-A78 WeakPolarHBondContact O-CB 3.47Å; L75-A78 PolarHBondContact O-N 2.96Å; L75-L79 PolarHBondContact O-N 3.29Å; L75-L79 VanDerWaalsContact O-N 3.15Å; L75-S91 VanDerWaalsContact CD2-CB 3.45Å
76	P	94.3	Very high	94.8	Very high	85 Å²	85	90.8 Å²	90.8	55%	0.552	49%	0.494	S	S	*	.	H	α-helix	trans	-59	-34.5	177.2	-25.5	36.2	0	0	0	113.3	L73 P74	L73-P76 WeakPolarHBondContact O-CD 3.33Å; P74-P76 VanDerWaalsContact C-CD 3.45Å
77	W	94.8	Very high	94.7	Very high	176 Å²	176	87.3 Å²	87.3	67%	0.667	48%	0.475	S	S	*	.	H	α-helix	trans	-77.7	-35.4	174.6	-59.9	-50.5	0	0	0	111.7	L73 P74 L75 L79 Q80	L73-W77 HydrophobicContact CD2-CH2 4.44Å; L73-W77 HydrophobicContact CD2-CZ3 4.25Å; P74-W77 HydrophobicContact CB-CE3 4.02Å; P74-W77 HydrophobicContact CB-CZ3 4.45Å; P74-W77 PolarHBondContact O-N 3.11Å; P74-W77 VanDerWaalsContact O-N 3.09Å; L75-W77 PolarHBondContact O-N 2.96Å; W77-L79 PolarHBondContact O-N 3.22Å; W77-Q80 PolarHBondContact O-N 3.37Å; W77-Q80 VanDerWaalsContact O-N 3.1Å
78	A	93.9	Very high	94.7	Very high	26 Å²	26	85.6 Å²	85.6	22%	0.215	47%	0.469	C	S	.	.	H	α-helix	trans	-63.8	-21.1	178.1	0	0	0	0	0	113.6	P74 L75 Q80 T81 M87	P74-A78 PolarHBondContact O-N 3.43Å; L75-A78 WeakPolarHBondContact O-CB 3.47Å; L75-A78 PolarHBondContact O-N 2.96Å; A78-Q80 PolarHBondContact O-N 3.28Å; A78-T81 WeakPolarHBondContact O-CB 3.45Å; A78-T81 WeakPolarHBondContact O-CG2 3.29Å; A78-T81 PolarHBondContact O-N 3.23Å; A78-T81 PolarHBondContact O-OG1 2.97Å; A78-M87 HydrophobicContact CB-CG 3.81Å; A78-M87 WeakPolarHBondContact O-CE 3.48Å
79	L	93.1	Very high	94.7	Very high	111 Å²	111	87.9 Å²	87.9	58%	0.581	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.4	171.9	-70.9	163.1	0	0	0	113.9	L75 W77 T81 L84 M87	L75-L79 PolarHBondContact O-N 3.29Å; L75-L79 VanDerWaalsContact O-N 3.15Å; W77-L79 PolarHBondContact O-N 3.22Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-L84 WeakPolarHBondContact O-CD2 3.38Å; L79-M87 HydrophobicContact CB-CE 4.29Å; L79-M87 HydrophobicContact CD2-CE 3.48Å; L79-M87 VanDerWaalsContact CD2-CE 3.48Å; L79-M87 HydrophobicContact CG-CE 3.95Å
80	Q	93.4	Very high	94.7	Very high	166 Å²	166	86.6 Å²	86.6	78%	0.776	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	4.1	179.2	-59.4	177.9	-0.3	0	0	113.2	W77 A78	W77-Q80 PolarHBondContact O-N 3.37Å; W77-Q80 VanDerWaalsContact O-N 3.1Å; A78-Q80 PolarHBondContact O-N 3.28Å
81	T	94.3	Very high	94.6	Very high	64 Å²	64	84.5 Å²	84.5	39%	0.393	47%	0.466	S	S	.	.	S	Bend	trans	-73.2	152.7	-178.6	58.1	0	0	0	0	112.5	A78 L79 N83	A78-T81 WeakPolarHBondContact O-CB 3.45Å; A78-T81 WeakPolarHBondContact O-CG2 3.29Å; A78-T81 PolarHBondContact O-N 3.23Å; A78-T81 PolarHBondContact O-OG1 2.97Å; L79-T81 VanDerWaalsContact C-N 3.32Å; T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.14Å
82	T	92.3	Very high	94.6	Very high	138 Å²	138	84 Å²	84	85%	0.847	46%	0.464	S	S	*	.	S	Bend	trans	-68.2	-30.3	177.6	52.3	0	0	0	0	112.7
83	N	94.6	Very high	94.7	Very high	101 Å²	101	87.5 Å²	87.5	54%	0.54	48%	0.482	S	S	.	.			trans	-103.3	67.1	-178.8	-71.1	-35.9	0	0	0	111.9	T81 P85 L86 M87	T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.14Å; N83-P85 VanDerWaalsContact C-CD 3.44Å; N83-L86 HydrophobicContact CB-CB 4.21Å; N83-L86 PolarHBondContact O-N 3.25Å; N83-M87 PolarHBondContact O-N 3.24Å; N83-M87 VanDerWaalsContact O-N 3.17Å
84	L	93.9	Very high	94.6	Very high	85 Å²	85	84.2 Å²	84.2	45%	0.445	46%	0.464	S	S	.	.	H	α-helix	trans	-50.3	-45	174.6	-69.3	177.6	0	0	0	115.5	L79 L86 M87 V88	L79-L84 WeakPolarHBondContact O-CD2 3.38Å; L84-L86 VanDerWaalsContact C-N 3.3Å; L84-L86 PolarHBondContact O-N 3.46Å; L84-M87 HydrophobicContact CD2-CE 4Å; L84-M87 PolarHBondContact O-N 3.35Å; L84-V88 WeakPolarHBondContact O-CG2 3.33Å; L84-V88 PolarHBondContact O-N 2.96Å
85	P	94.6	Very high	94.7	Very high	96 Å²	96	85.2 Å²	85.2	62%	0.623	47%	0.466	S	S	*	.	H	α-helix	trans	-64.7	-35.7	-177.7	24.1	-33.9	0	0	0	112.4	N83 T89	N83-P85 VanDerWaalsContact C-CD 3.44Å; P85-T89 WeakPolarHBondContact O-CB 2.92Å; P85-T89 VanDerWaalsContact O-CG2 3.27Å; P85-T89 WeakPolarHBondContact O-CG2 3.34Å; P85-T89 PolarHBondContact O-N 3.41Å; P85-T89 PolarHBondContact O-OG1 3.02Å
86	L	94.8	Very high	94.8	Very high	117 Å²	117	87.5 Å²	87.5	61%	0.613	48%	0.477	S	S	*	.	H	α-helix	trans	-67.5	-43.5	176.2	-177.5	65.8	0	0	0	111.1	N83 L84 T89 S90	N83-L86 HydrophobicContact CB-CB 4.21Å; N83-L86 PolarHBondContact O-N 3.25Å; L84-L86 VanDerWaalsContact C-N 3.3Å; L84-L86 PolarHBondContact O-N 3.46Å; L86-T89 WeakPolarHBondContact CA-OG1 3.33Å; L86-T89 PolarHBondContact O-N 2.98Å; L86-T89 PolarHBondContact O-OG1 3.32Å; L86-S90 WeakPolarHBondContact O-CB 3.47Å; L86-S90 PolarHBondContact O-N 3.46Å; L86-S90 PolarHBondContact O-OG 2.92Å
87	M	95.2	Very high	94.9	Very high	18 Å²	18	87.6 Å²	87.6	9%	0.089	47%	0.472	C	S	.	.	H	α-helix	trans	-61.4	-49.1	177.2	178	-84	-80.7	0	0	111.3	A78 L79 N83 L84 T89 S90 S91	A78-M87 HydrophobicContact CB-CG 3.81Å; A78-M87 WeakPolarHBondContact O-CE 3.48Å; L79-M87 HydrophobicContact CB-CE 4.29Å; L79-M87 HydrophobicContact CD2-CE 3.48Å; L79-M87 VanDerWaalsContact CD2-CE 3.48Å; L79-M87 HydrophobicContact CG-CE 3.95Å; N83-M87 PolarHBondContact O-N 3.24Å; N83-M87 VanDerWaalsContact O-N 3.17Å; L84-M87 HydrophobicContact CD2-CE 4Å; L84-M87 PolarHBondContact O-N 3.35Å; M87-T89 PolarHBondContact O-N 2.84Å; M87-S90 PolarHBondContact O-N 3.48Å; M87-S90 PolarHBondContact O-OG 3.44Å; M87-S91 WeakPolarHBondContact O-CB 3.5Å; M87-S91 PolarHBondContact O-N 3.01Å; M87-S91 PolarHBondContact O-OG 3.27Å; M87-S91 VanDerWaalsContact O-OG 3.13Å
88	V	95.2	Very high	94.9	Very high	66 Å²	66	81.1 Å²	81.1	40%	0.4	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-41.6	-179.2	172.3	0	0	0	0	111.7	L84 S91 L92	L84-V88 WeakPolarHBondContact O-CG2 3.33Å; L84-V88 PolarHBondContact O-N 2.96Å; V88-S91 WeakPolarHBondContact CA-OG 3.42Å; V88-S91 PolarHBondContact O-OG 3Å; V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.41Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.32Å; V88-L92 PolarHBondContact O-N 3.31Å
89	T	95.8	Very high	95	Very high	85 Å²	85	82.5 Å²	82.5	52%	0.521	46%	0.462	S	S	.	.	H	α-helix	trans	-65.8	-42.8	177.3	48.2	0	0	0	0	112	P85 L86 M87 L93	P85-T89 WeakPolarHBondContact O-CB 2.92Å; P85-T89 VanDerWaalsContact O-CG2 3.27Å; P85-T89 WeakPolarHBondContact O-CG2 3.34Å; P85-T89 PolarHBondContact O-N 3.41Å; P85-T89 PolarHBondContact O-OG1 3.02Å; L86-T89 WeakPolarHBondContact CA-OG1 3.33Å; L86-T89 PolarHBondContact O-N 2.98Å; L86-T89 PolarHBondContact O-OG1 3.32Å; M87-T89 PolarHBondContact O-N 2.84Å; T89-L93 WeakPolarHBondContact O-CB 3.24Å; T89-L93 PolarHBondContact O-N 3.49Å
90	S	94.2	Very high	95.2	Very high	66 Å²	66	82.5 Å²	82.5	46%	0.462	46%	0.462	S	S	.	.	H	α-helix	trans	-65.8	-39.4	177.4	68.6	0	0	0	0	113.2	L86 M87 L93 L94	L86-S90 WeakPolarHBondContact O-CB 3.47Å; L86-S90 PolarHBondContact O-N 3.46Å; L86-S90 PolarHBondContact O-OG 2.92Å; M87-S90 PolarHBondContact O-N 3.48Å; M87-S90 PolarHBondContact O-OG 3.44Å; S90-L93 PolarHBondContact O-N 3.42Å; S90-L94 PolarHBondContact O-N 3.3Å; S90-L94 VanDerWaalsContact O-N 3.08Å
91	S	95.2	Very high	95.2	Very high	18 Å²	18	76.6 Å²	76.6	13%	0.126	44%	0.439	C	S	.	.	H	α-helix	trans	-71.5	-41.2	179.3	62.7	0	0	0	0	112.2	L75 M87 V88 L93 L94 I95	L75-S91 VanDerWaalsContact CD2-CB 3.45Å; M87-S91 WeakPolarHBondContact O-CB 3.5Å; M87-S91 PolarHBondContact O-N 3.01Å; M87-S91 PolarHBondContact O-OG 3.27Å; M87-S91 VanDerWaalsContact O-OG 3.13Å; V88-S91 WeakPolarHBondContact CA-OG 3.42Å; V88-S91 PolarHBondContact O-OG 3Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 2.9Å; S91-L94 PolarHBondContact O-N 3Å; S91-I95 WeakPolarHBondContact O-CG1 3.34Å; S91-I95 PolarHBondContact O-N 3.24Å
92	L	96	Very high	95.3	Very high	92 Å²	92	76.9 Å²	76.9	48%	0.482	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-41.8	172.1	-76.4	170.4	0	0	0	111.6	V88 L94 I95 I96	V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.41Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.32Å; V88-L92 PolarHBondContact O-N 3.31Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.47Å; L92-I95 PolarHBondContact O-N 2.89Å; L92-I96 WeakPolarHBondContact O-CB 3.49Å; L92-I96 WeakPolarHBondContact O-CD1 3.46Å; L92-I96 WeakPolarHBondContact O-CG1 3.25Å; L92-I96 PolarHBondContact O-N 3.39Å
93	L	96.4	Very high	95.4	Very high	106 Å²	106	72.5 Å²	72.5	56%	0.555	42%	0.416	S	S	*	.	H	α-helix	trans	-60.6	-42.6	176.6	-178.2	138.5	0	0	0	111.6	T89 S90 S91 I96 I97	T89-L93 WeakPolarHBondContact O-CB 3.24Å; T89-L93 PolarHBondContact O-N 3.49Å; S90-L93 PolarHBondContact O-N 3.42Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 2.9Å; L93-I96 PolarHBondContact O-N 3.49Å; L93-I97 HydrophobicContact CD2-CD1 3.58Å; L93-I97 HydrophobicContact CG-CD1 4.25Å; L93-I97 WeakPolarHBondContact O-CG1 3.28Å; L93-I97 PolarHBondContact O-N 3.47Å
94	L	95.7	Very high	95.4	Very high	43 Å²	43	75 Å²	75	23%	0.225	42%	0.418	C	S	.	.	H	α-helix	trans	-63.5	-45.3	176.9	-157	164.4	0	0	0	111.5	E68 L71 L72 S90 S91 L92 I96 I97 L98	E68-L94 HydrophobicContact CB-CD2 4.45Å; L71-L94 HydrophobicContact CB-CD1 3.88Å; L71-L94 HydrophobicContact CD1-CD1 4.41Å; L72-L94 HydrophobicContact CD1-CD2 4.12Å; L72-L94 HydrophobicContact CD2-CB 4.37Å; L72-L94 HydrophobicContact CD2-CD1 4.33Å; L72-L94 HydrophobicContact CD2-CD2 3.89Å; L72-L94 HydrophobicContact CD2-CG 4.41Å; L72-L94 HydrophobicContact CG-CD2 3.81Å; S90-L94 PolarHBondContact O-N 3.3Å; S90-L94 VanDerWaalsContact O-N 3.08Å; S91-L94 PolarHBondContact O-N 3Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.47Å; L94-I96 VanDerWaalsContact C-N 3.32Å; L94-I96 PolarHBondContact O-N 2.98Å; L94-I97 PolarHBondContact O-N 2.86Å; L94-L98 PolarHBondContact O-N 3.38Å
95	I	96.4	Very high	95.4	Very high	79 Å²	79	71.8 Å²	71.8	41%	0.405	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-39.6	176.9	-65.7	165.3	0	0	0	111.5	L72 S91 L92 L98 A99	L72-I95 HydrophobicContact CD1-CG1 4.33Å; L72-I95 HydrophobicContact CD2-CG1 3.99Å; S91-I95 WeakPolarHBondContact O-CG1 3.34Å; S91-I95 PolarHBondContact O-N 3.24Å; L92-I95 PolarHBondContact O-N 2.89Å; I95-L98 PolarHBondContact O-N 3.03Å; I95-A99 WeakPolarHBondContact O-CB 3.5Å; I95-A99 PolarHBondContact O-N 2.9Å
96	I	97.1	Very high	95.3	Very high	99 Å²	99	75.4 Å²	75.4	51%	0.508	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-42.1	176.8	-70.7	163.6	0	0	0	110.7	L92 L93 L94 L98 A99 L100	L92-I96 WeakPolarHBondContact O-CB 3.49Å; L92-I96 WeakPolarHBondContact O-CD1 3.46Å; L92-I96 WeakPolarHBondContact O-CG1 3.25Å; L92-I96 PolarHBondContact O-N 3.39Å; L93-I96 PolarHBondContact O-N 3.49Å; L94-I96 VanDerWaalsContact C-N 3.32Å; L94-I96 PolarHBondContact O-N 2.98Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.42Å; I96-A99 PolarHBondContact O-N 3Å; I96-L100 HydrophobicContact CG2-CD1 3.94Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CB 3.29Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 3.43Å
97	I	95.8	Very high	95.3	Very high	87 Å²	87	76.4 Å²	76.4	45%	0.446	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-44.7	176.7	-70.1	167.5	0	0	0	110.6	L93 L94 A99 L100 S101	L93-I97 HydrophobicContact CD2-CD1 3.58Å; L93-I97 HydrophobicContact CG-CD1 4.25Å; L93-I97 WeakPolarHBondContact O-CG1 3.28Å; L93-I97 PolarHBondContact O-N 3.47Å; L94-I97 PolarHBondContact O-N 2.86Å; I97-A99 PolarHBondContact O-N 3.31Å; I97-L100 PolarHBondContact O-N 2.99Å; I97-S101 PolarHBondContact O-N 3.17Å; I97-S101 PolarHBondContact O-OG 2.96Å
98	L	95.7	Very high	95.1	Very high	40 Å²	40	81.3 Å²	81.3	21%	0.209	43%	0.431	C	S	.	.	H	α-helix	trans	-60.7	-43.8	175.9	-172.3	156.6	0	0	0	111.8	F65 E68 L72 L94 I95 I96 L100 S101 L102	F65-L98 HydrophobicContact CD1-CG 4.19Å; F65-L98 HydrophobicContact CE1-CG 4.34Å; E68-L98 HydrophobicContact CB-CD1 3.97Å; E68-L98 WeakPolarHBondContact OE2-CA 3.24Å; E68-L98 WeakPolarHBondContact OE2-CB 3.38Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.4Å; E68-L98 WeakPolarHBondContact OE2-CG 3.48Å; L72-L98 HydrophobicContact CD1-CD1 4.37Å; L94-L98 PolarHBondContact O-N 3.38Å; I95-L98 PolarHBondContact O-N 3.03Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.42Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 2.91Å; L98-S101 WeakPolarHBondContact CA-OG 3.26Å; L98-S101 PolarHBondContact O-N 2.69Å; L98-S101 PolarHBondContact O-OG 3.43Å; L98-L102 PolarHBondContact O-N 3.26Å; L98-L102 VanDerWaalsContact O-N 3.11Å
99	A	96	Very high	94.7	Very high	55 Å²	55	85.1 Å²	85.1	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-64.3	-37.9	176.7	0	0	0	0	0	112.1	I95 I96 I97 A103	I95-A99 WeakPolarHBondContact O-CB 3.5Å; I95-A99 PolarHBondContact O-N 2.9Å; I96-A99 PolarHBondContact O-N 3Å; I97-A99 PolarHBondContact O-N 3.31Å; A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.49Å; A99-A103 PolarHBondContact O-N 3.03Å
100	L	96.5	Very high	94.1	Very high	112 Å²	112	82 Å²	82	59%	0.586	43%	0.426	S	S	*	.	H	α-helix	trans	-70.5	-39.5	177.5	-73.7	172.8	0	0	0	112.4	I96 I97 L98 A103 Y104	I96-L100 HydrophobicContact CG2-CD1 3.94Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CB 3.29Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 3.43Å; I97-L100 PolarHBondContact O-N 2.99Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 2.91Å; L100-A103 PolarHBondContact O-N 3.36Å; L100-Y104 WeakPolarHBondContact O-CB 3.44Å; L100-Y104 PolarHBondContact O-N 3.39Å
101	S	94.1	Very high	93.8	Very high	41 Å²	41	81.4 Å²	81.4	29%	0.287	42%	0.418	S	S	.	.	H	α-helix	trans	-64.2	-42.9	177	57.7	0	0	0	0	111.1	F65 I97 L98 Y104 E105	F65-S101 WeakPolarHBondContact CE1-OG 3.37Å; I97-S101 PolarHBondContact O-N 3.17Å; I97-S101 PolarHBondContact O-OG 2.96Å; L98-S101 WeakPolarHBondContact CA-OG 3.26Å; L98-S101 PolarHBondContact O-N 2.69Å; L98-S101 PolarHBondContact O-OG 3.43Å; S101-Y104 PolarHBondContact O-N 3.38Å; S101-E105 PolarHBondContact O-N 2.93Å
102	L	94.7	Very high	93.3	Very high	70 Å²	70	83.8 Å²	83.8	37%	0.366	43%	0.429	S	S	.	.	H	α-helix	trans	-63	-46.1	172.9	-177.1	68.2	0	0	0	112.3	F65 L98 Y104 E105 W106 L111	F65-L102 HydrophobicContact CE1-CB 4.49Å; F65-L102 HydrophobicContact CE2-CD1 3.93Å; F65-L102 HydrophobicContact CZ-CB 3.9Å; F65-L102 HydrophobicContact CZ-CD1 3.88Å; F65-L102 HydrophobicContact CZ-CG 4.5Å; L98-L102 PolarHBondContact O-N 3.26Å; L98-L102 VanDerWaalsContact O-N 3.11Å; L102-Y104 VanDerWaalsContact C-N 3.27Å; L102-Y104 PolarHBondContact O-N 3.3Å; L102-E105 PolarHBondContact O-N 3.49Å; L102-W106 WeakPolarHBondContact O-CB 3.5Å; L102-W106 PolarHBondContact O-N 2.99Å; L102-L111 HydrophobicContact CD1-CD1 4.23Å
103	A	95.8	Very high	92.6	Very high	47 Å²	47	88.1 Å²	88.1	39%	0.388	44%	0.439	S	S	.	.	H	α-helix	trans	-60.6	-38.7	178	0	0	0	0	0	111.7	A99 L100 L107	A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.49Å; A99-A103 PolarHBondContact O-N 3.03Å; L100-A103 PolarHBondContact O-N 3.36Å; A103-L107 WeakPolarHBondContact O-CB 3.4Å; A103-L107 VanDerWaalsContact O-CG 3.25Å; A103-L107 WeakPolarHBondContact O-CG 3.39Å; A103-L107 PolarHBondContact O-N 2.94Å
104	Y	94.7	Very high	91.1	Very high	152 Å²	152	87.8 Å²	87.8	60%	0.596	44%	0.442	S	S	*	.	H	α-helix	trans	-64.4	-47.6	175.8	179.9	-98.2	0	0	0	111.9	L100 S101 L102 W106 L107 Q108	L100-Y104 WeakPolarHBondContact O-CB 3.44Å; L100-Y104 PolarHBondContact O-N 3.39Å; S101-Y104 PolarHBondContact O-N 3.38Å; L102-Y104 VanDerWaalsContact C-N 3.27Å; L102-Y104 PolarHBondContact O-N 3.3Å; Y104-W106 VanDerWaalsContact C-N 3.29Å; Y104-W106 PolarHBondContact O-N 3.43Å; Y104-L107 PolarHBondContact O-N 2.95Å; Y104-Q108 HydrophobicContact CD1-CG 4.32Å; Y104-Q108 HydrophobicContact CE1-CG 3.92Å; Y104-Q108 HydrophobicContact CE2-CG 4.14Å; Y104-Q108 WeakPolarHBondContact O-CG 3.32Å; Y104-Q108 PolarHBondContact O-N 3.11Å
105	E	93.3	Very high	89.3	Confident	19 Å²	19	98.4 Å²	98.4	9%	0.089	49%	0.49	C	S	.	.	H	α-helix	trans	-60.6	-40.3	178.2	-169.5	-175.9	179	0	0	112	L57 T61 S101 L102 Q108 K109 G110 L111	L57-E105 HydrophobicContact CD2-CG 4.46Å; L57-E105 VanDerWaalsContact CD2-OE1 3.23Å; L57-E105 WeakPolarHBondContact CD2-OE1 3.12Å; T61-E105 WeakPolarHBondContact CB-OE1 3.31Å; T61-E105 WeakPolarHBondContact CB-OE2 3.39Å; T61-E105 HydrophobicContact CG2-CG 4.44Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.35Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.33Å; T61-E105 PolarHBondContact OG1-OE1 2.93Å; S101-E105 PolarHBondContact O-N 2.93Å; L102-E105 PolarHBondContact O-N 3.49Å; E105-Q108 PolarHBondContact O-N 3.23Å; E105-K109 PolarHBondContact O-N 3.21Å; E105-G110 PolarHBondContact O-N 3.5Å; E105-G110 VanDerWaalsContact O-N 3.1Å; E105-L111 HydrophobicContact CG-CD2 4.47Å; E105-L111 HydrophobicContact CG-CG 4.16Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.48Å
106	W	92.3	Very high	88.9	Confident	172 Å²	172	99.4 Å²	99.4	65%	0.652	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-49.8	174.9	-168.5	-59.1	0	0	0	111.6	L102 Y104 Q108 K109 L111	L102-W106 WeakPolarHBondContact O-CB 3.5Å; L102-W106 PolarHBondContact O-N 2.99Å; Y104-W106 VanDerWaalsContact C-N 3.29Å; Y104-W106 PolarHBondContact O-N 3.43Å; W106-Q108 PolarHBondContact O-N 3Å; W106-K109 PolarHBondContact O-N 3.35Å; W106-L111 HydrophobicContact CE3-CD1 4.18Å
107	L	94.5	Very high	88.5	Confident	138 Å²	138	99.4 Å²	99.4	72%	0.723	49%	0.494	S	S	*	.	H	α-helix	trans	-61.7	-32.6	-179.9	-74.5	169	0	0	0	112.4	A103 Y104 K109	A103-L107 WeakPolarHBondContact O-CB 3.4Å; A103-L107 VanDerWaalsContact O-CG 3.25Å; A103-L107 WeakPolarHBondContact O-CG 3.39Å; A103-L107 PolarHBondContact O-N 2.94Å; Y104-L107 PolarHBondContact O-N 2.95Å; L107-K109 PolarHBondContact O-N 2.96Å
108	Q	91	Very high	88.1	Confident	121 Å²	121	100.1 Å²	100.1	57%	0.565	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	5.3	176.3	-64.9	-61.7	-11.4	0	0	113.9	Y104 E105 W106 G110	Y104-Q108 HydrophobicContact CD1-CG 4.32Å; Y104-Q108 HydrophobicContact CE1-CG 3.92Å; Y104-Q108 HydrophobicContact CE2-CG 4.14Å; Y104-Q108 WeakPolarHBondContact O-CG 3.32Å; Y104-Q108 PolarHBondContact O-N 3.11Å; E105-Q108 PolarHBondContact O-N 3.23Å; W106-Q108 PolarHBondContact O-N 3Å; Q108-G110 PolarHBondContact O-N 2.95Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
109	K	87.9	Confident	87.7	Confident	146 Å²	146	103.6 Å²	103.6	64%	0.635	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	22.6	-178.2	-52.9	-171.7	174	-176.6	0	113.2	E105 W106 L107 L111 D112	E105-K109 PolarHBondContact O-N 3.21Å; W106-K109 PolarHBondContact O-N 3.35Å; L107-K109 PolarHBondContact O-N 2.96Å; K109-L111 PolarHBondContact O-N 3.48Å; K109-D112 HydrophobicContact CB-CB 3.95Å; K109-D112 WeakPolarHBondContact CB-OD2 3.12Å; K109-D112 WeakPolarHBondContact CD-OD2 3.02Å; K109-D112 WeakPolarHBondContact CG-OD2 3.1Å; K109-D112 PolarHBondContact O-N 2.94Å; K109-D112 VanDerWaalsContact O-N 3.13Å
110	G	83.8	Confident	87.1	Confident	19 Å²	19	106.7 Å²	106.7	20%	0.196	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.1	175.6	0	0	0	0	0	112.1	E105 Q108	E105-G110 PolarHBondContact O-N 3.5Å; E105-G110 VanDerWaalsContact O-N 3.1Å; Q108-G110 PolarHBondContact O-N 2.95Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
111	L	86.2	Confident	86.5	Confident	53 Å²	53	106.3 Å²	106.3	28%	0.277	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	1.9	178.5	-57.2	176	0	0	0	113.5	L102 E105 W106 K109 W113	L102-L111 HydrophobicContact CD1-CD1 4.23Å; E105-L111 HydrophobicContact CG-CD2 4.47Å; E105-L111 HydrophobicContact CG-CG 4.16Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.48Å; W106-L111 HydrophobicContact CE3-CD1 4.18Å; K109-L111 PolarHBondContact O-N 3.48Å; L111-W113 PolarHBondContact O-N 3.28Å
112	D	85.2	Confident	86	Confident	69 Å²	69	111 Å²	111	37%	0.369	53%	0.529	S	S	.	.			trans	-79.7	116.2	-179.8	-81.2	-8.3	0	0	0	111	K54 K109 T114	K54-D112 PolarHBondContact NZ-O 2.9Å; K109-D112 HydrophobicContact CB-CB 3.95Å; K109-D112 WeakPolarHBondContact CB-OD2 3.12Å; K109-D112 WeakPolarHBondContact CD-OD2 3.02Å; K109-D112 WeakPolarHBondContact CG-OD2 3.1Å; K109-D112 PolarHBondContact O-N 2.94Å; K109-D112 VanDerWaalsContact O-N 3.13Å; D112-T114 PolarHBondContact O-N 2.92Å
113	W	80.9	Confident	85.3	Confident	182 Å²	182	114.2 Å²	114.2	69%	0.689	54%	0.541	S	S	*	.			trans	-94.5	84.6	174.2	-66.4	31.5	0	0	0	107.3	F55 L111	F55-W113 AromaticContact CE1-CH2 3.99Å; F55-W113 HydrophobicContact CE1-CH2 3.99Å; F55-W113 HydrophobicContact CE1-CZ2 4.37Å; L111-W113 PolarHBondContact O-N 3.28Å
114	T	66.5	Low	84.4	Confident	100 Å²	100	119.8 Å²	119.8	61%	0.613	55%	0.554	S	S	*	*			trans	-72.7	126.1	155.4	63.6	0	0	0	0	107.1	K54 D112	K54-T114 PolarHBondContact NZ-O 3Å; K54-T114 PolarHBondContact NZ-OG1 3.36Å; K54-T114 VanDerWaalsContact NZ-OG1 3.14Å; D112-T114 PolarHBondContact O-N 2.92Å
115	E	56.9	Low	83.5	Confident	266 Å²	266	116.8 Å²	116.8	100%	1.243	55%	0.55	S	S	*	*			trans	-49.8	0	159.2	-63.9	-168.1	174.5	0	0	110.9

Retrieved 115 of 115 residues in 65 ms (Link to these results)

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