A0A059QU57_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 A0A059QU57, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 115 aa.

						>A0A059QU57_HUMAN|A0A059QU57|ND3
MNFALILMINTLLALLLMIITFWLPQLNGYMEKSTPYECGFDPMSPARVPFSMKFFLVAITFLLFDLEIALLLPLPWALQTTNLPLMVMSSLLLIVILALSLAYEWLQKGLDWAE
					

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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	78.5	Confident	95.3	Very high	189 Å²	189	107.6 Å²	107.6	93%	0.931	57%	0.567	S	S	*	*				0	-57.7	0	-147.3	91.2	81.7	0	0	111.7	F3 A4 L5	M1-F3 PolarHBondContact O-N 3.27Å; M1-A4 PolarHBondContact O-N 3.15Å; M1-L5 HydrophobicContact CG-CD1 4.18Å; M1-L5 WeakPolarHBondContact O-CG 3.32Å; M1-L5 PolarHBondContact O-N 3.46Å
2	N	94.8	Very high	95.6	Very high	123 Å²	123	106.4 Å²	106.4	66%	0.658	56%	0.561	S	S	*	*	H	α-helix	trans	-60.1	-42.1	-173.1	-60.2	4.8	0	0	0	114.3	L5 I6	N2-L5 WeakPolarHBondContact O-CB 3.17Å; N2-L5 PolarHBondContact O-N 3.33Å; N2-I6 WeakPolarHBondContact O-CG1 3.26Å; N2-I6 PolarHBondContact O-N 3.03Å
3	F	95.8	Very high	95.8	Very high	151 Å²	151	105.7 Å²	105.7	66%	0.662	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-43.8	176.4	-177.9	-108.2	0	0	0	112.6	M1 L5 I6 L7	M1-F3 PolarHBondContact O-N 3.27Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 2.99Å; F3-I6 PolarHBondContact O-N 3.41Å; F3-L7 HydrophobicContact CD1-CD1 3.92Å; F3-L7 HydrophobicContact CE1-CD1 3.38Å; F3-L7 HydrophobicContact CE1-CG 4.13Å; F3-L7 HydrophobicContact CZ-CD1 3.76Å; F3-L7 HydrophobicContact CZ-CD2 4.35Å; F3-L7 HydrophobicContact CZ-CG 4.11Å; F3-L7 PolarHBondContact O-N 3.38Å
4	A	96.1	Very high	95.9	Very high	62 Å²	62	102.5 Å²	102.5	51%	0.512	55%	0.553	S	S	.	*	H	α-helix	trans	-63	-37.6	175.6	0	0	0	0	0	111.8	M1 L7 M8	M1-A4 PolarHBondContact O-N 3.15Å; A4-L7 PolarHBondContact O-N 3.35Å; A4-M8 VanDerWaalsContact O-CB 3.3Å; A4-M8 WeakPolarHBondContact O-CB 3.46Å; A4-M8 PolarHBondContact O-N 3.44Å
5	L	97.1	Very high	96	Very high	85 Å²	85	101.6 Å²	101.6	45%	0.445	55%	0.547	S	S	.	.	H	α-helix	trans	-63.7	-43.1	174	-71.6	168.8	0	0	0	112	M1 N2 F3 M8 I9	M1-L5 HydrophobicContact CG-CD1 4.18Å; M1-L5 WeakPolarHBondContact O-CG 3.32Å; M1-L5 PolarHBondContact O-N 3.46Å; N2-L5 WeakPolarHBondContact O-CB 3.17Å; N2-L5 PolarHBondContact O-N 3.33Å; F3-L5 VanDerWaalsContact C-N 3.3Å; F3-L5 PolarHBondContact O-N 2.99Å; L5-M8 PolarHBondContact O-N 2.98Å; L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.34Å; L5-I9 PolarHBondContact O-N 3.08Å
6	I	97.6	Very high	96.2	Very high	94 Å²	94	101 Å²	101	48%	0.482	54%	0.543	S	S	.	.	H	α-helix	trans	-61.2	-47.5	176.4	-68.4	163.7	0	0	0	110.6	N2 F3 M8 I9 N10	N2-I6 WeakPolarHBondContact O-CG1 3.26Å; N2-I6 PolarHBondContact O-N 3.03Å; F3-I6 PolarHBondContact O-N 3.41Å; I6-M8 VanDerWaalsContact C-N 3.32Å; I6-M8 PolarHBondContact O-N 3.27Å; I6-I9 PolarHBondContact O-N 3.41Å; I6-N10 VanDerWaalsContact O-CG 3.31Å; I6-N10 PolarHBondContact O-N 2.9Å; I6-N10 PolarHBondContact O-ND2 2.96Å
7	L	97.6	Very high	96.2	Very high	86 Å²	86	100.8 Å²	100.8	45%	0.45	54%	0.541	S	S	.	.	H	α-helix	trans	-60.1	-43.3	176.8	-72.6	177	0	0	0	111.7	F3 A4 N10 T11	F3-L7 HydrophobicContact CD1-CD1 3.92Å; F3-L7 HydrophobicContact CE1-CD1 3.38Å; F3-L7 HydrophobicContact CE1-CG 4.13Å; F3-L7 HydrophobicContact CZ-CD1 3.76Å; F3-L7 HydrophobicContact CZ-CD2 4.35Å; F3-L7 HydrophobicContact CZ-CG 4.11Å; F3-L7 PolarHBondContact O-N 3.38Å; A4-L7 PolarHBondContact O-N 3.35Å; L7-N10 PolarHBondContact O-N 3.39Å; L7-T11 WeakPolarHBondContact O-CG2 3.28Å; L7-T11 PolarHBondContact O-N 3.27Å; L7-T11 PolarHBondContact O-OG1 3.02Å; L7-T11 VanDerWaalsContact O-OG1 3.1Å
8	M	97.7	Very high	96.3	Very high	111 Å²	111	101.1 Å²	101.1	55%	0.547	54%	0.54	S	S	.	.	H	α-helix	trans	-63.6	-43.2	178.5	-175	-179.5	-179	0	0	112.2	A4 L5 I6 T11 L12	A4-M8 VanDerWaalsContact O-CB 3.3Å; A4-M8 WeakPolarHBondContact O-CB 3.46Å; A4-M8 PolarHBondContact O-N 3.44Å; L5-M8 PolarHBondContact O-N 2.98Å; I6-M8 VanDerWaalsContact C-N 3.32Å; I6-M8 PolarHBondContact O-N 3.27Å; M8-T11 PolarHBondContact O-OG1 2.95Å; M8-T11 VanDerWaalsContact O-OG1 3.07Å; M8-L12 HydrophobicContact CE-CD1 4.01Å; M8-L12 HydrophobicContact CG-CD1 3.9Å; M8-L12 HydrophobicContact CG-CG 4.48Å; M8-L12 VanDerWaalsContact O-CB 3.29Å; M8-L12 WeakPolarHBondContact O-CB 3.29Å; M8-L12 VanDerWaalsContact O-CG 3.24Å; M8-L12 WeakPolarHBondContact O-CG 3.33Å; M8-L12 PolarHBondContact O-N 3.1Å
9	I	97.8	Very high	96.3	Very high	108 Å²	108	100.6 Å²	100.6	55%	0.554	54%	0.536	S	S	*	.	H	α-helix	trans	-64	-43.8	178.1	-69.2	163.8	0	0	0	110.4	L5 I6 L12 L13	L5-I9 WeakPolarHBondContact O-CD1 3.38Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.34Å; L5-I9 PolarHBondContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 3.41Å; I9-L12 PolarHBondContact O-N 3.45Å; I9-L13 WeakPolarHBondContact O-CB 3.33Å; I9-L13 PolarHBondContact O-N 3.2Å
10	N	97.9	Very high	96.3	Very high	94 Å²	94	99.5 Å²	99.5	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-43.8	-179.8	-72.4	-18.1	0	0	0	112.4	I6 L7 L13 A14	I6-N10 VanDerWaalsContact O-CG 3.31Å; I6-N10 PolarHBondContact O-N 2.9Å; I6-N10 PolarHBondContact O-ND2 2.96Å; L7-N10 PolarHBondContact O-N 3.39Å; N10-L13 PolarHBondContact O-N 3.32Å; N10-A14 PolarHBondContact O-N 2.93Å
11	T	97.8	Very high	96.2	Very high	81 Å²	81	99.5 Å²	99.5	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-68.6	-39.8	178.3	55.1	0	0	0	0	111.7	L7 M8 A14 L15	L7-T11 WeakPolarHBondContact O-CG2 3.28Å; L7-T11 PolarHBondContact O-N 3.27Å; L7-T11 PolarHBondContact O-OG1 3.02Å; L7-T11 VanDerWaalsContact O-OG1 3.1Å; M8-T11 PolarHBondContact O-OG1 2.95Å; M8-T11 VanDerWaalsContact O-OG1 3.07Å; T11-A14 PolarHBondContact O-N 2.85Å; T11-L15 WeakPolarHBondContact O-CB 3.21Å; T11-L15 WeakPolarHBondContact O-CG 3.33Å; T11-L15 PolarHBondContact O-N 3.36Å
12	L	98.1	Very high	96.9	Very high	93 Å²	93	96.5 Å²	96.5	49%	0.487	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-41.4	174.3	-77.1	171.1	0	0	0	112.1	M8 I9 L15 L16	M8-L12 HydrophobicContact CE-CD1 4.01Å; M8-L12 HydrophobicContact CG-CD1 3.9Å; M8-L12 HydrophobicContact CG-CG 4.48Å; M8-L12 VanDerWaalsContact O-CB 3.29Å; M8-L12 WeakPolarHBondContact O-CB 3.29Å; M8-L12 VanDerWaalsContact O-CG 3.24Å; M8-L12 WeakPolarHBondContact O-CG 3.33Å; M8-L12 PolarHBondContact O-N 3.1Å; I9-L12 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3.36Å; L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 2.88Å
13	L	98.1	Very high	96.8	Very high	97 Å²	97	100.1 Å²	100.1	51%	0.508	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-45.3	176.6	-173.5	72.1	0	0	0	111.2	I9 N10 L15 L16 L17	I9-L13 WeakPolarHBondContact O-CB 3.33Å; I9-L13 PolarHBondContact O-N 3.2Å; N10-L13 PolarHBondContact O-N 3.32Å; L13-L15 PolarHBondContact O-N 2.91Å; L13-L16 PolarHBondContact O-N 3.47Å; L13-L17 HydrophobicContact CG-CD1 4.46Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.3Å
14	A	98.1	Very high	96.7	Very high	61 Å²	61	99.8 Å²	99.8	50%	0.504	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-43.2	176.9	0	0	0	0	0	112.2	N10 T11 L17 M18	N10-A14 PolarHBondContact O-N 2.93Å; T11-A14 PolarHBondContact O-N 2.85Å; A14-L17 PolarHBondContact O-N 3.43Å; A14-M18 WeakPolarHBondContact O-CB 3.48Å; A14-M18 PolarHBondContact O-N 3.45Å
15	L	97.8	Very high	96.4	Very high	89 Å²	89	100 Å²	100	47%	0.466	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-43	175.7	-74.8	169.4	0	0	0	112	T11 L12 L13 L17 M18 I19	T11-L15 WeakPolarHBondContact O-CB 3.21Å; T11-L15 WeakPolarHBondContact O-CG 3.33Å; T11-L15 PolarHBondContact O-N 3.36Å; L12-L15 PolarHBondContact O-N 3.36Å; L13-L15 PolarHBondContact O-N 2.91Å; L15-L17 PolarHBondContact O-N 3.03Å; L15-M18 HydrophobicContact CD2-CE 3.83Å; L15-M18 PolarHBondContact O-N 3.35Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.04Å
16	L	97.8	Very high	95.8	Very high	92 Å²	92	104.1 Å²	104.1	48%	0.482	54%	0.538	S	S	.	.	H	α-helix	trans	-61.7	-44.6	178.2	179.8	143.4	0	0	0	111.2	L12 L13 M18 I19 I20	L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 3.47Å; L16-M18 VanDerWaalsContact C-N 3.35Å; L16-M18 PolarHBondContact O-N 2.89Å; L16-I19 PolarHBondContact O-N 3.41Å; L16-I20 HydrophobicContact CD2-CD1 3.51Å; L16-I20 HydrophobicContact CD2-CG1 4.49Å; L16-I20 HydrophobicContact CG-CD1 4.25Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 2.99Å
17	L	97.6	Very high	95	Very high	97 Å²	97	105.6 Å²	105.6	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-62.6	-41.5	175.3	-70.4	173.4	0	0	0	111.7	L13 A14 L15 I19 I20 T21	L13-L17 HydrophobicContact CG-CD1 4.46Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.3Å; A14-L17 PolarHBondContact O-N 3.43Å; L15-L17 PolarHBondContact O-N 3.03Å; L17-I19 PolarHBondContact O-N 3.26Å; L17-I20 PolarHBondContact O-N 3.27Å; L17-T21 WeakPolarHBondContact O-CG2 3.41Å; L17-T21 PolarHBondContact O-N 3Å; L17-T21 PolarHBondContact O-OG1 3.39Å
18	M	96.9	Very high	94.3	Very high	107 Å²	107	105 Å²	105	53%	0.527	54%	0.543	S	S	.	.	H	α-helix	trans	-63.9	-37.9	176.3	-177	-104.1	-74.9	0	0	112.6	A14 L15 L16 T21 F22	A14-M18 WeakPolarHBondContact O-CB 3.48Å; A14-M18 PolarHBondContact O-N 3.45Å; L15-M18 HydrophobicContact CD2-CE 3.83Å; L15-M18 PolarHBondContact O-N 3.35Å; L16-M18 VanDerWaalsContact C-N 3.35Å; L16-M18 PolarHBondContact O-N 2.89Å; M18-T21 WeakPolarHBondContact CA-OG1 3.46Å; M18-T21 PolarHBondContact O-N 3.29Å; M18-T21 PolarHBondContact O-OG1 3Å; M18-F22 WeakPolarHBondContact O-CB 3.32Å; M18-F22 PolarHBondContact O-N 3.02Å
19	I	96.4	Very high	93.6	Very high	91 Å²	91	103.5 Å²	103.5	47%	0.467	56%	0.556	S	S	.	*	H	α-helix	trans	-65	-46.3	173.9	-68.3	163.1	0	0	0	109.9	L15 L16 L17 T21 F22 W23	L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.04Å; L16-I19 PolarHBondContact O-N 3.41Å; L17-I19 PolarHBondContact O-N 3.26Å; I19-T21 VanDerWaalsContact C-N 3.33Å; I19-T21 PolarHBondContact O-N 3.47Å; I19-F22 PolarHBondContact O-N 3.36Å; I19-W23 HydrophobicContact CG2-CG 4.44Å; I19-W23 WeakPolarHBondContact O-CB 3.28Å; I19-W23 PolarHBondContact O-N 2.99Å
20	I	96.4	Very high	93.1	Very high	79 Å²	79	105.1 Å²	105.1	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-59.8	-45.8	178.5	-67.2	168.6	0	0	0	110.5	L16 L17 F22 W23 L24	L16-I20 HydrophobicContact CD2-CD1 3.51Å; L16-I20 HydrophobicContact CD2-CG1 4.49Å; L16-I20 HydrophobicContact CG-CD1 4.25Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 2.99Å; L17-I20 PolarHBondContact O-N 3.27Å; I20-F22 VanDerWaalsContact C-N 3.3Å; I20-F22 PolarHBondContact O-N 3.01Å; I20-W23 PolarHBondContact O-N 2.96Å; I20-L24 HydrophobicContact CG2-CB 4.24Å; I20-L24 HydrophobicContact CG2-CD1 4.03Å; I20-L24 WeakPolarHBondContact O-CB 3.28Å; I20-L24 PolarHBondContact O-N 2.98Å
21	T	95.3	Very high	92.3	Very high	99 Å²	99	107.8 Å²	107.8	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-68	-28.1	-178.8	56.7	0	0	0	0	113.4	L17 M18 I19 P25	L17-T21 WeakPolarHBondContact O-CG2 3.41Å; L17-T21 PolarHBondContact O-N 3Å; L17-T21 PolarHBondContact O-OG1 3.39Å; M18-T21 WeakPolarHBondContact CA-OG1 3.46Å; M18-T21 PolarHBondContact O-N 3.29Å; M18-T21 PolarHBondContact O-OG1 3Å; I19-T21 VanDerWaalsContact C-N 3.33Å; I19-T21 PolarHBondContact O-N 3.47Å; T21-P25 WeakPolarHBondContact O-CD 3.41Å; T21-P25 WeakPolarHBondContact O-CG 3.35Å
22	F	92.3	Very high	91.6	Very high	126 Å²	126	111.1 Å²	111.1	55%	0.553	58%	0.577	S	S	*	*	H	α-helix	trans	-81.4	-36.7	177.4	-166.9	-96.3	0	0	0	112.9	M18 I19 I20	M18-F22 WeakPolarHBondContact O-CB 3.32Å; M18-F22 PolarHBondContact O-N 3.02Å; I19-F22 PolarHBondContact O-N 3.36Å; I20-F22 VanDerWaalsContact C-N 3.3Å; I20-F22 PolarHBondContact O-N 3.01Å
23	W	92.3	Very high	91	Very high	200 Å²	200	113.5 Å²	113.5	76%	0.758	58%	0.584	S	S	*	*	H	α-helix	trans	-100	-23.5	-170	-69.5	85.5	0	0	0	114.9	I19 I20	I19-W23 HydrophobicContact CG2-CG 4.44Å; I19-W23 WeakPolarHBondContact O-CB 3.28Å; I19-W23 PolarHBondContact O-N 2.99Å; I20-W23 PolarHBondContact O-N 2.96Å
24	L	92.9	Very high	90.5	Very high	143 Å²	143	113.1 Å²	113.1	75%	0.749	59%	0.589	S	S	*	*	S	Bend	trans	-77	-35.8	-179.1	-164.8	136	0	0	0	114	I20	I20-L24 HydrophobicContact CG2-CB 4.24Å; I20-L24 HydrophobicContact CG2-CD1 4.03Å; I20-L24 WeakPolarHBondContact O-CB 3.28Å; I20-L24 PolarHBondContact O-N 2.98Å
25	P	90.9	Very high	90	Very high	67 Å²	67	113.1 Å²	113.1	44%	0.435	58%	0.583	S	S	.	*	S	Bend	trans	-73.5	148.4	178	-18	32.7	0	0	0	113.3	T21 L27	T21-P25 WeakPolarHBondContact O-CD 3.41Å; T21-P25 WeakPolarHBondContact O-CG 3.35Å; P25-L27 PolarHBondContact O-N 3.09Å
26	Q	84	Confident	89.6	Confident	172 Å²	172	113 Å²	113	80%	0.804	59%	0.587	S	S	*	*			trans	-76.8	112.8	170.7	-169.7	174.4	-5.1	0	0	110.4	N28	Q26-N28 PolarHBondContact O-N 3.25Å
27	L	81.9	Confident	89	Confident	124 Å²	124	118 Å²	118	65%	0.649	60%	0.601	S	S	*	*			trans	-88	99.2	-178.2	-62.7	172.3	0	0	0	111	P25	P25-L27 PolarHBondContact O-N 3.09Å
28	N	82.6	Confident	88.6	Confident	74 Å²	74	117 Å²	117	40%	0.396	59%	0.594	S	S	.	*			trans	-98	94.3	168	-68.8	-3.9	0	0	0	109.4	Q26 Y30 K33	Q26-N28 PolarHBondContact O-N 3.25Å; N28-Y30 HydrophobicContact CB-CD2 4.44Å; N28-Y30 HydrophobicContact CB-CE2 3.76Å; N28-Y30 PolarHBondContact O-N 2.94Å; N28-K33 WeakPolarHBondContact O-CD 3.44Å; N28-K33 PolarHBondContact O-NZ 3.33Å
29	G	82.7	Confident	88.2	Confident	79 Å²	79	116.6 Å²	116.6	81%	0.814	60%	0.601	S	S	*	*			trans	-80.5	107.3	179.6	0	0	0	0	0	112.3
30	Y	86.4	Confident	87.7	Confident	142 Å²	142	115.4 Å²	115.4	56%	0.557	61%	0.61	S	S	*	*			trans	-113.2	151.1	168.5	-57.4	-75.2	0	0	0	108.7	N28 E32 K33 S34	N28-Y30 HydrophobicContact CB-CD2 4.44Å; N28-Y30 HydrophobicContact CB-CE2 3.76Å; N28-Y30 PolarHBondContact O-N 2.94Å; Y30-E32 VanDerWaalsContact C-N 3.25Å; Y30-E32 PolarHBondContact O-N 3.49Å; Y30-K33 HydrophobicContact CD2-CD 4.04Å; Y30-K33 PolarHBondContact O-N 3.26Å; Y30-S34 PolarHBondContact O-N 3.31Å
31	M	82.9	Confident	87.2	Confident	150 Å²	150	119 Å²	119	74%	0.739	62%	0.623	S	S	*	*	H	α-helix	trans	-51.9	-44.7	179.5	-73.1	-62.7	-66.8	0	0	112	K33 S34 T35	M31-K33 PolarHBondContact O-N 3.3Å; M31-S34 WeakPolarHBondContact O-CA 3.31Å; M31-S34 PolarHBondContact O-N 3.31Å; M31-S34 PolarHBondContact O-OG 3.37Å; M31-T35 PolarHBondContact O-N 3.19Å
32	E	82.4	Confident	86.8	Confident	152 Å²	152	120.5 Å²	120.5	71%	0.71	63%	0.628	S	S	*	*	H	α-helix	trans	-64.7	-19.8	178.6	-56.7	-58.9	161.6	0	0	115.1	Y30 T35	Y30-E32 VanDerWaalsContact C-N 3.25Å; Y30-E32 PolarHBondContact O-N 3.49Å; E32-T35 PolarHBondContact O-OG1 3.16Å
33	K	85.3	Confident	86.6	Confident	143 Å²	143	117.4 Å²	117.4	62%	0.622	62%	0.62	S	S	*	*	H	α-helix	trans	-86.2	-14.8	173.5	-69.4	-174.3	-179.2	176	0	112.5	N28 Y30 M31	N28-K33 WeakPolarHBondContact O-CD 3.44Å; N28-K33 PolarHBondContact O-NZ 3.33Å; Y30-K33 HydrophobicContact CD2-CD 4.04Å; Y30-K33 PolarHBondContact O-N 3.26Å; M31-K33 PolarHBondContact O-N 3.3Å
34	S	87.4	Confident	86.1	Confident	88 Å²	88	115.8 Å²	115.8	62%	0.615	62%	0.623	S	S	*	*	H	α-helix	trans	-101.3	-7.3	180	62.1	0	0	0	0	113.4	Y30 M31	Y30-S34 PolarHBondContact O-N 3.31Å; M31-S34 WeakPolarHBondContact O-CA 3.31Å; M31-S34 PolarHBondContact O-N 3.31Å; M31-S34 PolarHBondContact O-OG 3.37Å
35	T	87.6	Confident	85.7	Confident	62 Å²	62	112.2 Å²	112.2	38%	0.38	61%	0.61	S	S	.	*	S	Bend	trans	-77	150.9	173.2	47.4	0	0	0	0	111.2	M31 E32	M31-T35 PolarHBondContact O-N 3.19Å; E32-T35 PolarHBondContact O-OG1 3.16Å
36	P	88.8	Confident	85.4	Confident	85 Å²	85	113.7 Å²	113.7	55%	0.552	62%	0.62	S	S	*	*			trans	-65.8	139.9	177.3	29	-35.2	0	0	0	110.8	P43	P36-P43 HydrophobicContact CG-CG 3.86Å
37	Y	86.9	Confident	85.3	Confident	198 Å²	198	110.5 Å²	110.5	78%	0.776	62%	0.623	S	S	*	*			trans	-88.1	112.3	179.4	179.7	-99.9	0	0	0	111.3
38	E	88.4	Confident	85.3	Confident	75 Å²	75	116 Å²	116	35%	0.35	64%	0.635	S	S	.	*	B	Isolated β-bridge	trans	-118.5	68.3	171.8	-166.4	166.2	144.7	0	0	110	G40 F41 P43 M44	E38-G40 PolarHBondContact O-N 2.94Å; E38-G40 VanDerWaalsContact O-N 3.1Å; E38-F41 PolarHBondContact O-N 3.19Å; E38-P43 WeakPolarHBondContact OE2-CA 2.96Å; E38-P43 VanDerWaalsContact OE2-CB 3.23Å; E38-P43 WeakPolarHBondContact OE2-CB 3.3Å; E38-M44 PolarHBondContact OE1-N 3.07Å
39	C	87.3	Confident	85.3	Confident	100 Å²	100	117 Å²	117	68%	0.676	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.4	28.5	179.1	-62.8	0	0	0	0	114.8
40	G	86.2	Confident	85.3	Confident	65 Å²	65	119.5 Å²	119.5	67%	0.67	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.3	6.9	-177.9	0	0	0	0	0	114.8	E38	E38-G40 PolarHBondContact O-N 2.94Å; E38-G40 VanDerWaalsContact O-N 3.1Å
41	F	86.3	Confident	84.8	Confident	154 Å²	154	119.7 Å²	119.7	68%	0.675	65%	0.649	S	S	*	*	B	Isolated β-bridge	trans	-109.8	159.7	173.2	-61.9	-83.4	0	0	0	111.3	E38	E38-F41 PolarHBondContact O-N 3.19Å
42	D	88.1	Confident	84.8	Confident	132 Å²	132	115 Å²	115	71%	0.706	63%	0.631	S	S	*	*			trans	-67.5	142.3	168.3	-72.2	-36.6	0	0	0	110.1	M44	D42-M44 PolarHBondContact O-N 3.47Å
43	P	86.8	Confident	84.8	Confident	61 Å²	61	114.2 Å²	114.2	40%	0.396	63%	0.63	S	S	.	*			trans	-65.4	127.1	-173.8	26.5	-35.8	0	0	0	112.1	P36 E38 S45	P36-P43 HydrophobicContact CG-CG 3.86Å; E38-P43 WeakPolarHBondContact OE2-CA 2.96Å; E38-P43 VanDerWaalsContact OE2-CB 3.23Å; E38-P43 WeakPolarHBondContact OE2-CB 3.3Å; P43-S45 VanDerWaalsContact C-N 3.31Å; P43-S45 PolarHBondContact O-N 3.28Å
44	M	83.1	Confident	84.7	Confident	166 Å²	166	112 Å²	112	82%	0.818	62%	0.62	S	S	*	*	S	Bend	trans	-75.1	-24	-177.9	-69.9	-69.1	-163.4	0	0	112.6	E38 D42	E38-M44 PolarHBondContact OE1-N 3.07Å; D42-M44 PolarHBondContact O-N 3.47Å
45	S	83.5	Confident	84.5	Confident	67 Å²	67	113.3 Å²	113.3	47%	0.469	62%	0.615	S	S	.	*	S	Bend	trans	-149.4	157.8	-179.8	69.9	0	0	0	0	110.3	P43	P43-S45 VanDerWaalsContact C-N 3.31Å; P43-S45 PolarHBondContact O-N 3.28Å
46	P	84	Confident	84.5	Confident	99 Å²	99	115.3 Å²	115.3	64%	0.643	62%	0.618	S	S	*	*			trans	-62.6	140.3	173.7	27.1	-34.9	0	0	0	110.6	R48	P46-R48 PolarHBondContact O-N 3.12Å
47	A	82.4	Confident	84.5	Confident	105 Å²	105	115.3 Å²	115.3	87%	0.868	61%	0.613	S	S	*	*	S	Bend	trans	-59.2	-17.4	178	0	0	0	0	0	114.3	V49	A47-V49 PolarHBondContact O-N 3.5Å
48	R	83.1	Confident	84.7	Confident	238 Å²	238	108.6 Å²	108.6	90%	0.898	59%	0.593	S	S	*	*			trans	-90.9	86.6	174.2	-64.9	-173.4	-176.3	-174.6	1.8	109.7	P46	P46-R48 PolarHBondContact O-N 3.12Å
49	V	81.1	Confident	84.9	Confident	97 Å²	97	107.5 Å²	107.5	59%	0.588	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-92.7	155.1	173.3	-69.9	0	0	0	0	111.1	A47 F51	A47-V49 PolarHBondContact O-N 3.5Å; V49-F51 PolarHBondContact O-N 3.35Å
50	P	82.6	Confident	85.1	Confident	131 Å²	131	106.2 Å²	106.2	85%	0.851	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-55.4	128	170.9	23.5	-33.5	0	0	0	110
51	F	77.4	Confident	85.4	Confident	145 Å²	145	104.4 Å²	104.4	64%	0.636	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-81.6	150.5	-175.6	-172.4	-113.7	0	0	0	111.2	V49 M53 F55	V49-F51 PolarHBondContact O-N 3.35Å; F51-M53 PolarHBondContact O-N 3.16Å; F51-F55 HydrophobicContact CD1-CB 4.28Å; F51-F55 HydrophobicContact CD2-CD2 4.45Å; F51-F55 HydrophobicContact CE1-CB 3.2Å; F51-F55 HydrophobicContact CE1-CD2 4.08Å; F51-F55 HydrophobicContact CE1-CG 4.07Å; F51-F55 HydrophobicContact CE2-CB 4.22Å; F51-F55 AromaticContact CE2-CD2 3.65Å; F51-F55 HydrophobicContact CE2-CD2 3.65Å; F51-F55 HydrophobicContact CE2-CE2 4.44Å; F51-F55 HydrophobicContact CE2-CG 4.24Å; F51-F55 HydrophobicContact CZ-CB 3.16Å; F51-F55 AromaticContact CZ-CD2 3.44Å; F51-F55 HydrophobicContact CZ-CD2 3.44Å; F51-F55 VanDerWaalsContact CZ-CD2 3.44Å; F51-F55 AromaticContact CZ-CG 3.57Å; F51-F55 HydrophobicContact CZ-CG 3.57Å
52	S	83.1	Confident	85.8	Confident	51 Å²	51	103.5 Å²	103.5	36%	0.357	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-70	133.5	178.8	88.5	0	0	0	0	110.4	K54 F55	S52-K54 PolarHBondContact O-N 3.17Å; S52-F55 PolarHBondContact O-N 3.32Å; S52-F55 WeakPolarHBondContact OG-CD2 3.3Å; S52-F55 WeakPolarHBondContact OG-CE2 3.4Å
53	M	82.1	Confident	86.2	Confident	137 Å²	137	102.1 Å²	102.1	68%	0.675	55%	0.546	S	S	*	.	H	α-helix	trans	-65.6	-18.9	178.3	-68.6	-62.9	-72.3	0	0	112.7	F51 F56 L57	F51-M53 PolarHBondContact O-N 3.16Å; M53-F56 HydrophobicContact CE-CD1 4.21Å; M53-F56 WeakPolarHBondContact O-CB 3.46Å; M53-F56 PolarHBondContact O-N 3.34Å; M53-L57 PolarHBondContact O-N 3.01Å
54	K	83.1	Confident	86.6	Confident	95 Å²	95	103.6 Å²	103.6	41%	0.413	55%	0.55	S	S	.	*	H	α-helix	trans	-66.7	-44.9	179.4	-65.5	-170.3	176.8	-170.7	0	112.1	S52 F56 L57 V58 D112 A114	S52-K54 PolarHBondContact O-N 3.17Å; K54-F56 PolarHBondContact O-N 3.22Å; K54-L57 WeakPolarHBondContact O-CB 3.5Å; K54-L57 PolarHBondContact O-N 2.98Å; K54-L57 VanDerWaalsContact O-N 3.17Å; K54-V58 WeakPolarHBondContact O-CG2 3.46Å; K54-V58 PolarHBondContact O-N 3.01Å; K54-V58 VanDerWaalsContact O-N 3.12Å; K54-D112 PolarHBondContact NZ-O 3.12Å; K54-A114 VanDerWaalsContact NZ-CB 3.3Å
55	F	83.6	Confident	87.2	Confident	116 Å²	116	97.6 Å²	97.6	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-30.7	175.2	-69.7	-55	0	0	0	112.2	F51 S52 V58 A59	F51-F55 HydrophobicContact CD1-CB 4.28Å; F51-F55 HydrophobicContact CD2-CD2 4.45Å; F51-F55 HydrophobicContact CE1-CB 3.2Å; F51-F55 HydrophobicContact CE1-CD2 4.08Å; F51-F55 HydrophobicContact CE1-CG 4.07Å; F51-F55 HydrophobicContact CE2-CB 4.22Å; F51-F55 AromaticContact CE2-CD2 3.65Å; F51-F55 HydrophobicContact CE2-CD2 3.65Å; F51-F55 HydrophobicContact CE2-CE2 4.44Å; F51-F55 HydrophobicContact CE2-CG 4.24Å; F51-F55 HydrophobicContact CZ-CB 3.16Å; F51-F55 AromaticContact CZ-CD2 3.44Å; F51-F55 HydrophobicContact CZ-CD2 3.44Å; F51-F55 VanDerWaalsContact CZ-CD2 3.44Å; F51-F55 AromaticContact CZ-CG 3.57Å; F51-F55 HydrophobicContact CZ-CG 3.57Å; S52-F55 PolarHBondContact O-N 3.32Å; S52-F55 WeakPolarHBondContact OG-CD2 3.3Å; S52-F55 WeakPolarHBondContact OG-CE2 3.4Å; F55-V58 PolarHBondContact O-N 3.34Å; F55-A59 PolarHBondContact O-N 3.46Å
56	F	87.2	Confident	87.8	Confident	104 Å²	104	98.7 Å²	98.7	46%	0.456	52%	0.52	S	S	.	.	H	α-helix	trans	-66.5	-41.5	173.7	176.9	-103.7	0	0	0	112.2	M53 K54 A59 I60	M53-F56 HydrophobicContact CE-CD1 4.21Å; M53-F56 WeakPolarHBondContact O-CB 3.46Å; M53-F56 PolarHBondContact O-N 3.34Å; K54-F56 PolarHBondContact O-N 3.22Å; F56-A59 PolarHBondContact O-N 3.22Å; F56-I60 HydrophobicContact CD1-CD1 3.94Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.33Å; F56-I60 HydrophobicContact CE2-CD1 4.27Å; F56-I60 HydrophobicContact CZ-CD1 3.53Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 PolarHBondContact O-N 3.41Å; F56-I60 VanDerWaalsContact O-N 3.12Å
57	L	88.7	Confident	88.4	Confident	85 Å²	85	99.2 Å²	99.2	45%	0.445	52%	0.517	S	S	.	.	H	α-helix	trans	-60.4	-45.6	174.5	-70.4	169.2	0	0	0	111.5	M53 K54 A59 I60 T61	M53-L57 PolarHBondContact O-N 3.01Å; K54-L57 WeakPolarHBondContact O-CB 3.5Å; K54-L57 PolarHBondContact O-N 2.98Å; K54-L57 VanDerWaalsContact O-N 3.17Å; L57-A59 VanDerWaalsContact C-N 3.28Å; L57-A59 PolarHBondContact O-N 3.38Å; L57-I60 PolarHBondContact O-N 3.47Å; L57-I60 VanDerWaalsContact O-N 3.16Å; L57-T61 WeakPolarHBondContact O-CG2 3.18Å; L57-T61 PolarHBondContact O-N 2.79Å; L57-T61 PolarHBondContact O-OG1 3.14Å
58	V	90.4	Very high	89	Confident	57 Å²	57	96.1 Å²	96.1	35%	0.345	49%	0.485	S	S	.	.	H	α-helix	trans	-60	-38.1	175.8	176.2	0	0	0	0	111.8	K54 F55 T61 F62	K54-V58 WeakPolarHBondContact O-CG2 3.46Å; K54-V58 PolarHBondContact O-N 3.01Å; K54-V58 VanDerWaalsContact O-N 3.12Å; F55-V58 PolarHBondContact O-N 3.34Å; V58-T61 PolarHBondContact O-N 3.44Å; V58-T61 PolarHBondContact O-OG1 3.48Å; V58-F62 VanDerWaalsContact O-CB 3.3Å; V58-F62 WeakPolarHBondContact O-CB 3.16Å; V58-F62 PolarHBondContact O-N 3.25Å
59	A	92	Very high	89.6	Confident	53 Å²	53	89.3 Å²	89.3	44%	0.438	47%	0.465	S	S	.	.	H	α-helix	trans	-66	-37.7	177.5	0	0	0	0	0	112.5	F55 F56 L57 L63	F55-A59 PolarHBondContact O-N 3.46Å; F56-A59 PolarHBondContact O-N 3.22Å; L57-A59 VanDerWaalsContact C-N 3.28Å; L57-A59 PolarHBondContact O-N 3.38Å; A59-L63 PolarHBondContact O-N 3.45Å; A59-L63 VanDerWaalsContact O-N 3.09Å
60	I	92.8	Very high	90.3	Very high	72 Å²	72	87.4 Å²	87.4	37%	0.369	46%	0.459	S	S	.	.	H	α-helix	trans	-67.1	-44.5	175.4	-68.4	172.1	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 4.33Å; F56-I60 HydrophobicContact CE2-CD1 4.27Å; F56-I60 HydrophobicContact CZ-CD1 3.53Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 PolarHBondContact O-N 3.41Å; F56-I60 VanDerWaalsContact O-N 3.12Å; L57-I60 PolarHBondContact O-N 3.47Å; L57-I60 VanDerWaalsContact O-N 3.16Å; I60-F62 VanDerWaalsContact C-N 3.34Å; I60-L63 WeakPolarHBondContact O-CB 3.4Å; I60-L63 PolarHBondContact O-N 3.28Å; I60-L63 VanDerWaalsContact O-N 3.14Å; I60-L64 HydrophobicContact CG2-CD1 4.27Å; I60-L64 PolarHBondContact O-N 3.13Å
61	T	92.7	Very high	91	Very high	27 Å²	27	86.5 Å²	86.5	17%	0.166	45%	0.447	C	S	.	.	H	α-helix	trans	-70.5	-34.8	-177.4	59.2	0	0	0	0	111.7	L57 V58 L63 L64 F65 E105	L57-T61 WeakPolarHBondContact O-CG2 3.18Å; L57-T61 PolarHBondContact O-N 2.79Å; L57-T61 PolarHBondContact O-OG1 3.14Å; V58-T61 PolarHBondContact O-N 3.44Å; V58-T61 PolarHBondContact O-OG1 3.48Å; T61-L63 PolarHBondContact O-N 3.09Å; T61-L64 PolarHBondContact O-N 3.18Å; T61-F65 WeakPolarHBondContact O-CD2 3.4Å; T61-F65 WeakPolarHBondContact O-CG 3.32Å; T61-F65 PolarHBondContact O-N 2.77Å; T61-E105 VanDerWaalsContact CB-OE1 3.3Å; T61-E105 WeakPolarHBondContact CB-OE1 3.34Å; T61-E105 VanDerWaalsContact CB-OE2 3.3Å; T61-E105 WeakPolarHBondContact CB-OE2 3.26Å; T61-E105 HydrophobicContact CG2-CG 4.33Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.47Å; T61-E105 VanDerWaalsContact CG2-OE2 3.31Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.24Å; T61-E105 PolarHBondContact OG1-OE1 2.95Å
62	F	94.4	Very high	91.8	Very high	136 Å²	136	81.3 Å²	81.3	60%	0.596	43%	0.425	S	S	*	.	H	α-helix	trans	-55.6	-47.9	165.5	172.3	-102.2	0	0	0	112.6	V58 I60 L64 F65 D66	V58-F62 VanDerWaalsContact O-CB 3.3Å; V58-F62 WeakPolarHBondContact O-CB 3.16Å; V58-F62 PolarHBondContact O-N 3.25Å; I60-F62 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 2.9Å; F62-F65 PolarHBondContact O-N 3.09Å; F62-D66 WeakPolarHBondContact O-CB 3.49Å; F62-D66 PolarHBondContact O-N 3.15Å
63	L	95.6	Very high	92.5	Very high	103 Å²	103	84.1 Å²	84.1	54%	0.539	44%	0.436	S	S	.	.	H	α-helix	trans	-63.1	-40.2	-179.3	-177.9	149.3	0	0	0	112.5	A59 I60 T61 L67	A59-L63 PolarHBondContact O-N 3.45Å; A59-L63 VanDerWaalsContact O-N 3.09Å; I60-L63 WeakPolarHBondContact O-CB 3.4Å; I60-L63 PolarHBondContact O-N 3.28Å; I60-L63 VanDerWaalsContact O-N 3.14Å; T61-L63 PolarHBondContact O-N 3.09Å; L63-L67 HydrophobicContact CD2-CD1 4.45Å; L63-L67 PolarHBondContact O-N 3.04Å
64	L	95.1	Very high	93.1	Very high	92 Å²	92	80.3 Å²	80.3	48%	0.482	42%	0.422	S	S	.	.	H	α-helix	trans	-66.7	-44.7	176.6	-68.3	175.9	0	0	0	111.5	I60 T61 F62 D66 L67 E68	I60-L64 HydrophobicContact CG2-CD1 4.27Å; I60-L64 PolarHBondContact O-N 3.13Å; T61-L64 PolarHBondContact O-N 3.18Å; F62-L64 PolarHBondContact O-N 2.9Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 2.86Å; L64-L67 WeakPolarHBondContact O-CB 3.23Å; L64-L67 PolarHBondContact O-N 3.46Å; L64-E68 PolarHBondContact O-N 3.23Å; L64-E68 VanDerWaalsContact O-N 3.13Å
65	F	95.4	Very high	93.6	Very high	40 Å²	40	78.4 Å²	78.4	18%	0.175	42%	0.415	C	S	.	.	H	α-helix	trans	-65.5	-34.8	176.5	-71.3	-43.5	0	0	0	112.9	T61 F62 L67 E68 I69 L98 S101 L102	T61-F65 WeakPolarHBondContact O-CD2 3.4Å; T61-F65 WeakPolarHBondContact O-CG 3.32Å; T61-F65 PolarHBondContact O-N 2.77Å; F62-F65 PolarHBondContact O-N 3.09Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 2.88Å; F65-E68 PolarHBondContact O-N 3.23Å; F65-I69 WeakPolarHBondContact O-CB 3.41Å; F65-I69 VanDerWaalsContact O-CG1 3.25Å; F65-I69 WeakPolarHBondContact O-CG1 3.32Å; F65-I69 PolarHBondContact O-N 3.41Å; F65-L98 HydrophobicContact CD1-CD1 4.41Å; F65-L98 HydrophobicContact CD1-CD2 4.41Å; F65-L98 HydrophobicContact CD1-CG 3.98Å; F65-L98 HydrophobicContact CE1-CD2 4.29Å; F65-L98 HydrophobicContact CE1-CG 4.05Å; F65-S101 WeakPolarHBondContact CE1-OG 3.47Å; F65-L102 HydrophobicContact CE1-CB 4.39Å; F65-L102 HydrophobicContact CE2-CD1 3.85Å; F65-L102 HydrophobicContact CZ-CB 3.8Å; F65-L102 HydrophobicContact CZ-CD1 3.78Å; F65-L102 HydrophobicContact CZ-CG 4.39Å
66	D	96.8	Very high	94.2	Very high	90 Å²	90	76.9 Å²	76.9	48%	0.481	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-38.9	175.7	-166	36	0	0	0	111.6	F62 L64 I69 A70	F62-D66 WeakPolarHBondContact O-CB 3.49Å; F62-D66 PolarHBondContact O-N 3.15Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 2.86Å; D66-I69 PolarHBondContact O-N 3.1Å; D66-A70 WeakPolarHBondContact O-CB 3.41Å; D66-A70 PolarHBondContact O-N 3.33Å
67	L	96.5	Very high	94.5	Very high	109 Å²	109	80.4 Å²	80.4	57%	0.571	43%	0.428	S	S	*	.	H	α-helix	trans	-62.9	-43.2	172.2	-91.4	171.1	0	0	0	112.5	L63 L64 F65 A70 L71	L63-L67 HydrophobicContact CD2-CD1 4.45Å; L63-L67 PolarHBondContact O-N 3.04Å; L64-L67 WeakPolarHBondContact O-CB 3.23Å; L64-L67 PolarHBondContact O-N 3.46Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 2.88Å; L67-A70 WeakPolarHBondContact O-CB 2.91Å; L67-A70 PolarHBondContact O-N 2.91Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 2.9Å; L67-L71 VanDerWaalsContact O-N 3.15Å
68	E	94.9	Very high	94.8	Very high	41 Å²	41	77.6 Å²	77.6	19%	0.192	42%	0.417	C	S	.	.	H	α-helix	trans	-67.9	-37.3	177.9	-67.7	-178.5	176.2	0	0	112	L64 F65 A70 L71 L72 L98	L64-E68 PolarHBondContact O-N 3.23Å; L64-E68 VanDerWaalsContact O-N 3.13Å; F65-E68 PolarHBondContact O-N 3.23Å; E68-A70 VanDerWaalsContact C-N 3.35Å; E68-L71 WeakPolarHBondContact O-CB 3.3Å; E68-L71 PolarHBondContact O-N 3.01Å; E68-L72 PolarHBondContact O-N 3.31Å; E68-L72 VanDerWaalsContact O-N 3.09Å; E68-L98 HydrophobicContact CB-CD1 3.97Å; E68-L98 WeakPolarHBondContact OE2-CA 3.48Å; E68-L98 VanDerWaalsContact OE2-CB 3.23Å; E68-L98 WeakPolarHBondContact OE2-CB 3.3Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.44Å; E68-L98 WeakPolarHBondContact OE2-CG 3.42Å
69	I	95.9	Very high	94.9	Very high	95 Å²	95	80.1 Å²	80.1	49%	0.487	43%	0.428	S	S	.	.	H	α-helix	trans	-63.9	-41	173	-69.3	165.4	0	0	0	110.6	F65 D66 L71 L72 L73	F65-I69 WeakPolarHBondContact O-CB 3.41Å; F65-I69 VanDerWaalsContact O-CG1 3.25Å; F65-I69 WeakPolarHBondContact O-CG1 3.32Å; F65-I69 PolarHBondContact O-N 3.41Å; D66-I69 PolarHBondContact O-N 3.1Å; I69-L71 PolarHBondContact O-N 3.22Å; I69-L72 CarbonylContact O-C 3.57Å; I69-L72 PolarHBondContact O-N 3.04Å; I69-L73 PolarHBondContact O-N 3.02Å
70	A	96.9	Very high	95	Very high	56 Å²	56	85.6 Å²	85.6	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-59.7	-34.7	174.8	0	0	0	0	0	112	D66 L67 E68 P74	D66-A70 WeakPolarHBondContact O-CB 3.41Å; D66-A70 PolarHBondContact O-N 3.33Å; L67-A70 WeakPolarHBondContact O-CB 2.91Å; L67-A70 PolarHBondContact O-N 2.91Å; E68-A70 VanDerWaalsContact C-N 3.35Å; A70-P74 WeakPolarHBondContact O-CD 3.5Å
71	L	95.4	Very high	95	Very high	113 Å²	113	85.2 Å²	85.2	59%	0.592	45%	0.446	S	S	*	.	H	α-helix	trans	-70.9	-28.9	173.2	-66.7	172.5	0	0	0	113.3	L67 E68 I69 P74 L94	L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 2.9Å; L67-L71 VanDerWaalsContact O-N 3.15Å; E68-L71 WeakPolarHBondContact O-CB 3.3Å; E68-L71 PolarHBondContact O-N 3.01Å; I69-L71 PolarHBondContact O-N 3.22Å; L71-P74 WeakPolarHBondContact O-CD 3.49Å; L71-L94 HydrophobicContact CB-CD1 4.03Å; L71-L94 HydrophobicContact CD1-CD1 4.25Å
72	L	95.9	Very high	95	Very high	35 Å²	35	90.5 Å²	90.5	18%	0.183	48%	0.478	C	S	.	.	H	α-helix	trans	-82.4	-23.1	175.5	-68.5	171.6	0	0	0	113.4	E68 I69 P74 L75 L94 I95 L98	E68-L72 PolarHBondContact O-N 3.31Å; E68-L72 VanDerWaalsContact O-N 3.09Å; I69-L72 CarbonylContact O-C 3.57Å; I69-L72 PolarHBondContact O-N 3.04Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; L72-L75 HydrophobicContact CB-CD1 4.19Å; L72-L75 HydrophobicContact CD2-CD1 3.69Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.44Å; L72-L75 WeakPolarHBondContact O-CD1 3.41Å; L72-L75 WeakPolarHBondContact O-CG 3.31Å; L72-L75 PolarHBondContact O-N 3.11Å; L72-L75 VanDerWaalsContact O-N 3.1Å; L72-L94 HydrophobicContact CD1-CD2 4.1Å; L72-L94 HydrophobicContact CD2-CD2 3.64Å; L72-L94 HydrophobicContact CG-CD2 3.66Å; L72-I95 HydrophobicContact CD1-CG1 4.34Å; L72-I95 HydrophobicContact CD2-CG1 3.99Å; L72-L98 HydrophobicContact CD1-CD1 4.38Å
73	L	96.8	Very high	95	Very high	110 Å²	110	88.8 Å²	88.8	58%	0.576	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-39.6	-179.2	-162.7	150.6	0	0	0	114.9	I69 L75 P76 W77	I69-L73 PolarHBondContact O-N 3.02Å; L73-L75 PolarHBondContact O-N 3.12Å; L73-P76 WeakPolarHBondContact O-CD 3.25Å; L73-W77 HydrophobicContact CD2-CH2 4.3Å; L73-W77 HydrophobicContact CD2-CZ3 4.03Å
74	P	94.8	Very high	95	Very high	58 Å²	58	88 Å²	88	38%	0.377	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	2	179.9	29.7	-36.4	0	0	0	115.4	A70 L71 L72 P76 W77 A78	A70-P74 WeakPolarHBondContact O-CD 3.5Å; L71-P74 WeakPolarHBondContact O-CD 3.49Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; P74-P76 VanDerWaalsContact C-CD 3.46Å; P74-W77 HydrophobicContact CB-CE3 4.03Å; P74-W77 HydrophobicContact CB-CZ3 4.46Å; P74-W77 PolarHBondContact O-N 3.25Å; P74-W77 VanDerWaalsContact O-N 3.12Å; P74-A78 PolarHBondContact O-N 3.1Å
75	L	94.7	Very high	95	Very high	54 Å²	54	88.2 Å²	88.2	28%	0.283	48%	0.478	S	S	.	.	H	α-helix	trans	-54.5	-41.6	-178.8	-74.1	174.5	0	0	0	114.8	L72 L73 W77 A78 L79 S91	L72-L75 HydrophobicContact CB-CD1 4.19Å; L72-L75 HydrophobicContact CD2-CD1 3.69Å; L72-L75 VanDerWaalsContact O-CB 3.31Å; L72-L75 WeakPolarHBondContact O-CB 3.44Å; L72-L75 WeakPolarHBondContact O-CD1 3.41Å; L72-L75 WeakPolarHBondContact O-CG 3.31Å; L72-L75 PolarHBondContact O-N 3.11Å; L72-L75 VanDerWaalsContact O-N 3.1Å; L73-L75 PolarHBondContact O-N 3.12Å; L75-W77 PolarHBondContact O-N 3.14Å; L75-A78 WeakPolarHBondContact O-CB 3.47Å; L75-A78 PolarHBondContact O-N 3.24Å; L75-L79 PolarHBondContact O-N 3.14Å; L75-L79 VanDerWaalsContact O-N 3.11Å; L75-S91 VanDerWaalsContact CD2-CB 3.47Å
76	P	94.4	Very high	95	Very high	85 Å²	85	92 Å²	92	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-59.4	-34	178.2	-25.2	36	0	0	0	113.3	L73 P74	L73-P76 WeakPolarHBondContact O-CD 3.25Å; P74-P76 VanDerWaalsContact C-CD 3.46Å
77	W	94.6	Very high	94.9	Very high	177 Å²	177	88.7 Å²	88.7	67%	0.67	48%	0.481	S	S	*	.	H	α-helix	trans	-77.8	-35.4	174.2	-60.3	-55.7	0	0	0	111.7	L73 P74 L75 L79 Q80	L73-W77 HydrophobicContact CD2-CH2 4.3Å; L73-W77 HydrophobicContact CD2-CZ3 4.03Å; P74-W77 HydrophobicContact CB-CE3 4.03Å; P74-W77 HydrophobicContact CB-CZ3 4.46Å; P74-W77 PolarHBondContact O-N 3.25Å; P74-W77 VanDerWaalsContact O-N 3.12Å; L75-W77 PolarHBondContact O-N 3.14Å; W77-L79 PolarHBondContact O-N 3.34Å; W77-Q80 WeakPolarHBondContact O-CB 3.44Å; W77-Q80 PolarHBondContact O-N 3.29Å; W77-Q80 VanDerWaalsContact O-N 3.1Å
78	A	93.9	Very high	94.8	Very high	27 Å²	27	86.4 Å²	86.4	22%	0.223	47%	0.472	C	S	.	.	H	α-helix	trans	-63.8	-23.4	178.1	0	0	0	0	0	113.4	P74 L75 Q80 T81 M87	P74-A78 PolarHBondContact O-N 3.1Å; L75-A78 WeakPolarHBondContact O-CB 3.47Å; L75-A78 PolarHBondContact O-N 3.24Å; A78-Q80 PolarHBondContact O-N 3.48Å; A78-Q80 VanDerWaalsContact O-N 3.14Å; A78-T81 WeakPolarHBondContact O-CB 3.44Å; A78-T81 WeakPolarHBondContact O-CG2 3.47Å; A78-T81 PolarHBondContact O-N 3.49Å; A78-T81 VanDerWaalsContact O-N 3.14Å; A78-T81 PolarHBondContact O-OG1 2.95Å; A78-M87 HydrophobicContact CB-CG 3.86Å
79	L	93.3	Very high	94.9	Very high	110 Å²	110	90.3 Å²	90.3	58%	0.576	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.8	171.9	-70.6	176.8	0	0	0	113.8	L75 W77 T81 L84 M87	L75-L79 PolarHBondContact O-N 3.14Å; L75-L79 VanDerWaalsContact O-N 3.11Å; W77-L79 PolarHBondContact O-N 3.34Å; L79-T81 VanDerWaalsContact C-N 3.3Å; L79-L84 WeakPolarHBondContact O-CD2 3.11Å; L79-M87 HydrophobicContact CD2-CE 3.78Å; L79-M87 HydrophobicContact CD2-SD 4.33Å
80	Q	93.4	Very high	94.8	Very high	167 Å²	167	89 Å²	89	78%	0.78	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	3.5	179.9	-60	177.8	0.7	0	0	113.2	W77 A78	W77-Q80 WeakPolarHBondContact O-CB 3.44Å; W77-Q80 PolarHBondContact O-N 3.29Å; W77-Q80 VanDerWaalsContact O-N 3.1Å; A78-Q80 PolarHBondContact O-N 3.48Å; A78-Q80 VanDerWaalsContact O-N 3.14Å
81	T	94.4	Very high	94.7	Very high	64 Å²	64	87.3 Å²	87.3	39%	0.393	48%	0.475	S	S	.	.	S	Bend	trans	-73	152.8	-178.1	57.2	0	0	0	0	112.6	A78 L79 N83	A78-T81 WeakPolarHBondContact O-CB 3.44Å; A78-T81 WeakPolarHBondContact O-CG2 3.47Å; A78-T81 PolarHBondContact O-N 3.49Å; A78-T81 VanDerWaalsContact O-N 3.14Å; A78-T81 PolarHBondContact O-OG1 2.95Å; L79-T81 VanDerWaalsContact C-N 3.3Å; T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 2.98Å
82	T	92.6	Very high	94.8	Very high	138 Å²	138	86 Å²	86	85%	0.847	47%	0.469	S	S	*	.	S	Bend	trans	-68.5	-30.6	177.3	52.6	0	0	0	0	112.7
83	N	94.4	Very high	94.8	Very high	101 Å²	101	89.6 Å²	89.6	54%	0.54	49%	0.487	S	S	.	.			trans	-103.3	67.3	-179.2	-71.9	-33.3	0	0	0	111.7	T81 P85 L86 M87	T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 2.98Å; N83-P85 VanDerWaalsContact C-CD 3.44Å; N83-L86 HydrophobicContact CB-CB 4.31Å; N83-L86 PolarHBondContact O-N 3.1Å; N83-M87 PolarHBondContact O-N 3.02Å
84	L	94.1	Very high	94.7	Very high	85 Å²	85	86.5 Å²	86.5	45%	0.445	47%	0.471	S	S	.	.	H	α-helix	trans	-50.5	-45.9	174.7	-69.5	176.2	0	0	0	115.3	L79 L86 M87 V88	L79-L84 WeakPolarHBondContact O-CD2 3.11Å; L84-L86 VanDerWaalsContact C-N 3.3Å; L84-L86 PolarHBondContact O-N 3.23Å; L84-M87 HydrophobicContact CD2-CE 3.47Å; L84-M87 VanDerWaalsContact CD2-CE 3.47Å; L84-M87 PolarHBondContact O-N 3.2Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.4Å
85	P	95	Very high	94.8	Very high	97 Å²	97	87.6 Å²	87.6	63%	0.63	47%	0.473	S	S	*	.	H	α-helix	trans	-64	-36.3	-176.3	23.5	-33.7	0	0	0	112.4	N83 M89	N83-P85 VanDerWaalsContact C-CD 3.44Å; P85-M89 WeakPolarHBondContact O-CB 3.5Å; P85-M89 WeakPolarHBondContact O-CG 3.19Å; P85-M89 PolarHBondContact O-N 2.95Å
86	L	95.1	Very high	95	Very high	121 Å²	121	88.9 Å²	88.9	63%	0.634	48%	0.483	S	S	*	.	H	α-helix	trans	-66.8	-43.2	178	-178.1	65.2	0	0	0	111.3	N83 L84 M89 S90	N83-L86 HydrophobicContact CB-CB 4.31Å; N83-L86 PolarHBondContact O-N 3.1Å; L84-L86 VanDerWaalsContact C-N 3.3Å; L84-L86 PolarHBondContact O-N 3.23Å; L86-M89 PolarHBondContact O-N 3.21Å; L86-S90 PolarHBondContact O-N 2.69Å; L86-S90 PolarHBondContact O-OG 3.07Å
87	M	95.3	Very high	95	Very high	20 Å²	20	88.9 Å²	88.9	10%	0.099	48%	0.478	C	S	.	.	H	α-helix	trans	-65.7	-41.2	178.2	170.2	-85.1	-63.6	0	0	112.3	A78 L79 N83 L84 S90 S91	A78-M87 HydrophobicContact CB-CG 3.86Å; L79-M87 HydrophobicContact CD2-CE 3.78Å; L79-M87 HydrophobicContact CD2-SD 4.33Å; N83-M87 PolarHBondContact O-N 3.02Å; L84-M87 HydrophobicContact CD2-CE 3.47Å; L84-M87 VanDerWaalsContact CD2-CE 3.47Å; L84-M87 PolarHBondContact O-N 3.2Å; M87-S90 PolarHBondContact O-N 3.44Å; M87-S90 PolarHBondContact O-OG 3.1Å; M87-S90 VanDerWaalsContact O-OG 3.09Å; M87-S91 VanDerWaalsContact O-CB 3.32Å; M87-S91 WeakPolarHBondContact O-CB 3.38Å; M87-S91 PolarHBondContact O-N 3.02Å; M87-S91 PolarHBondContact O-OG 3.43Å
88	V	95.3	Very high	95.1	Very high	60 Å²	60	82.3 Å²	82.3	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-41.3	175	173.7	0	0	0	0	110.8	L84 S91 L92	L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.4Å; V88-S91 WeakPolarHBondContact CA-OG 3.34Å; V88-S91 PolarHBondContact O-OG 2.95Å; V88-L92 HydrophobicContact CG1-CD1 3.77Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 VanDerWaalsContact O-CB 3.32Å; V88-L92 WeakPolarHBondContact O-CB 3.06Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.23Å; V88-L92 PolarHBondContact O-N 3.3Å
89	M	96.2	Very high	95.2	Very high	123 Å²	123	83.6 Å²	83.6	61%	0.606	47%	0.466	S	S	*	.	H	α-helix	trans	-64.7	-44.8	177.1	-72.7	-66.6	120.5	0	0	112.5	P85 L86 L92 L93	P85-M89 WeakPolarHBondContact O-CB 3.5Å; P85-M89 WeakPolarHBondContact O-CG 3.19Å; P85-M89 PolarHBondContact O-N 2.95Å; L86-M89 PolarHBondContact O-N 3.21Å; M89-L92 HydrophobicContact CE-CD1 4.37Å; M89-L93 WeakPolarHBondContact O-CB 3.5Å; M89-L93 PolarHBondContact O-N 2.92Å
90	S	94.3	Very high	95.3	Very high	69 Å²	69	83.7 Å²	83.7	48%	0.483	47%	0.466	S	S	.	.	H	α-helix	trans	-68.1	-40.4	-179.9	62.8	0	0	0	0	112.5	L86 M87 L93 L94	L86-S90 PolarHBondContact O-N 2.69Å; L86-S90 PolarHBondContact O-OG 3.07Å; M87-S90 PolarHBondContact O-N 3.44Å; M87-S90 PolarHBondContact O-OG 3.1Å; M87-S90 VanDerWaalsContact O-OG 3.09Å; S90-L93 PolarHBondContact O-N 3.4Å; S90-L94 PolarHBondContact O-N 3.01Å
91	S	95.3	Very high	95.4	Very high	19 Å²	19	77.8 Å²	77.8	13%	0.133	44%	0.444	C	S	.	.	H	α-helix	trans	-65.9	-43.8	176.5	56.9	0	0	0	0	112.6	L75 M87 V88 L93 L94 I95	L75-S91 VanDerWaalsContact CD2-CB 3.47Å; M87-S91 VanDerWaalsContact O-CB 3.32Å; M87-S91 WeakPolarHBondContact O-CB 3.38Å; M87-S91 PolarHBondContact O-N 3.02Å; M87-S91 PolarHBondContact O-OG 3.43Å; V88-S91 WeakPolarHBondContact CA-OG 3.34Å; V88-S91 PolarHBondContact O-OG 2.95Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L93 PolarHBondContact O-N 3.46Å; S91-L94 PolarHBondContact O-N 3.02Å; S91-I95 WeakPolarHBondContact O-CG1 3.19Å; S91-I95 PolarHBondContact O-N 3.23Å
92	L	96.1	Very high	95.4	Very high	86 Å²	86	78.2 Å²	78.2	45%	0.45	44%	0.443	S	S	.	.	H	α-helix	trans	-61	-42.6	173.6	-77.5	169.8	0	0	0	111.7	V88 M89 L94 I95 V96	V88-L92 HydrophobicContact CG1-CD1 3.77Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 VanDerWaalsContact O-CB 3.32Å; V88-L92 WeakPolarHBondContact O-CB 3.06Å; V88-L92 VanDerWaalsContact O-CG 3.28Å; V88-L92 WeakPolarHBondContact O-CG 3.23Å; V88-L92 PolarHBondContact O-N 3.3Å; M89-L92 HydrophobicContact CE-CD1 4.37Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.35Å; L92-I95 PolarHBondContact O-N 2.96Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.37Å; L92-V96 PolarHBondContact O-N 3.35Å
93	L	96.5	Very high	95.5	Very high	110 Å²	110	73.8 Å²	73.8	58%	0.576	42%	0.42	S	S	*	.	H	α-helix	trans	-59.8	-41.8	176.8	-178.9	140.2	0	0	0	111.5	M89 S90 S91 V96 I97	M89-L93 WeakPolarHBondContact O-CB 3.5Å; M89-L93 PolarHBondContact O-N 2.92Å; S90-L93 PolarHBondContact O-N 3.4Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L93 PolarHBondContact O-N 3.46Å; L93-V96 PolarHBondContact O-N 3.28Å; L93-I97 HydrophobicContact CD2-CD1 3.57Å; L93-I97 HydrophobicContact CG-CD1 4.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.35Å; L93-I97 PolarHBondContact O-N 3.18Å
94	L	95.9	Very high	95.5	Very high	46 Å²	46	76.1 Å²	76.1	24%	0.241	42%	0.423	C	S	.	.	H	α-helix	trans	-65.8	-42.7	177.7	-159.9	148.8	0	0	0	111.8	L71 L72 S90 S91 L92 V96 I97 L98	L71-L94 HydrophobicContact CB-CD1 4.03Å; L71-L94 HydrophobicContact CD1-CD1 4.25Å; L72-L94 HydrophobicContact CD1-CD2 4.1Å; L72-L94 HydrophobicContact CD2-CD2 3.64Å; L72-L94 HydrophobicContact CG-CD2 3.66Å; S90-L94 PolarHBondContact O-N 3.01Å; S91-L94 PolarHBondContact O-N 3.02Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 3.35Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 2.95Å; L94-I97 PolarHBondContact O-N 3Å; L94-L98 PolarHBondContact O-N 3.26Å
95	I	96.5	Very high	95.5	Very high	81 Å²	81	73.2 Å²	73.2	42%	0.415	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-39.7	175.5	-65.5	165.1	0	0	0	111.3	L72 S91 L92 L98 A99	L72-I95 HydrophobicContact CD1-CG1 4.34Å; L72-I95 HydrophobicContact CD2-CG1 3.99Å; S91-I95 WeakPolarHBondContact O-CG1 3.19Å; S91-I95 PolarHBondContact O-N 3.23Å; L92-I95 PolarHBondContact O-N 2.96Å; I95-L98 PolarHBondContact O-N 3.42Å; I95-A99 WeakPolarHBondContact O-CB 3.38Å; I95-A99 PolarHBondContact O-N 2.89Å
96	V	97.3	Very high	95.4	Very high	81 Å²	81	77 Å²	77	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-41.6	176.8	169.3	0	0	0	0	111.1	L92 L93 L94 L98 A99 L100	L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.37Å; L92-V96 PolarHBondContact O-N 3.35Å; L93-V96 PolarHBondContact O-N 3.28Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 2.95Å; V96-L98 VanDerWaalsContact C-N 3.35Å; V96-A99 PolarHBondContact O-N 3.48Å; V96-L100 HydrophobicContact CG1-CD1 3.95Å; V96-L100 HydrophobicContact CG1-CG 4.36Å; V96-L100 WeakPolarHBondContact O-CB 3.41Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.47Å; V96-L100 PolarHBondContact O-N 3.49Å
97	I	95.8	Very high	95.3	Very high	85 Å²	85	78 Å²	78	44%	0.436	41%	0.414	S	S	.	.	H	α-helix	trans	-61.3	-44.7	175.9	-70	168	0	0	0	110.7	L93 L94 A99 L100 S101	L93-I97 HydrophobicContact CD2-CD1 3.57Å; L93-I97 HydrophobicContact CG-CD1 4.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.35Å; L93-I97 PolarHBondContact O-N 3.18Å; L94-I97 PolarHBondContact O-N 3Å; I97-A99 PolarHBondContact O-N 3.05Å; I97-L100 PolarHBondContact O-N 3.24Å; I97-S101 PolarHBondContact O-N 3.27Å; I97-S101 PolarHBondContact O-OG 3.48Å
98	L	95.6	Very high	95.1	Very high	39 Å²	39	82.6 Å²	82.6	20%	0.204	44%	0.435	C	S	.	.	H	α-helix	trans	-60.4	-43.7	175.9	-172	157.3	0	0	0	111.8	F65 E68 L72 L94 I95 V96 L100 S101 L102	F65-L98 HydrophobicContact CD1-CD1 4.41Å; F65-L98 HydrophobicContact CD1-CD2 4.41Å; F65-L98 HydrophobicContact CD1-CG 3.98Å; F65-L98 HydrophobicContact CE1-CD2 4.29Å; F65-L98 HydrophobicContact CE1-CG 4.05Å; E68-L98 HydrophobicContact CB-CD1 3.97Å; E68-L98 WeakPolarHBondContact OE2-CA 3.48Å; E68-L98 VanDerWaalsContact OE2-CB 3.23Å; E68-L98 WeakPolarHBondContact OE2-CB 3.3Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.44Å; E68-L98 WeakPolarHBondContact OE2-CG 3.42Å; L72-L98 HydrophobicContact CD1-CD1 4.38Å; L94-L98 PolarHBondContact O-N 3.26Å; I95-L98 PolarHBondContact O-N 3.42Å; V96-L98 VanDerWaalsContact C-N 3.35Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.02Å; L98-S101 WeakPolarHBondContact CA-OG 3.38Å; L98-S101 PolarHBondContact O-N 3.49Å; L98-S101 PolarHBondContact O-OG 3.31Å; L98-L102 PolarHBondContact O-N 3.37Å; L98-L102 VanDerWaalsContact O-N 3.1Å
99	A	96	Very high	94.8	Very high	53 Å²	53	86.7 Å²	86.7	44%	0.438	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-38.1	176.8	0	0	0	0	0	112.1	I95 V96 I97 A103	I95-A99 WeakPolarHBondContact O-CB 3.38Å; I95-A99 PolarHBondContact O-N 2.89Å; V96-A99 PolarHBondContact O-N 3.48Å; I97-A99 PolarHBondContact O-N 3.05Å; A99-A103 VanDerWaalsContact O-CB 3.28Å; A99-A103 WeakPolarHBondContact O-CB 3.34Å; A99-A103 PolarHBondContact O-N 3.04Å
100	L	96.6	Very high	94.2	Very high	113 Å²	113	81.9 Å²	81.9	59%	0.592	43%	0.43	S	S	*	.	H	α-helix	trans	-69.9	-39.5	177.3	-73.9	172.3	0	0	0	112.5	V96 I97 L98 A103 Y104	V96-L100 HydrophobicContact CG1-CD1 3.95Å; V96-L100 HydrophobicContact CG1-CG 4.36Å; V96-L100 WeakPolarHBondContact O-CB 3.41Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.47Å; V96-L100 PolarHBondContact O-N 3.49Å; I97-L100 PolarHBondContact O-N 3.24Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.02Å; L100-A103 PolarHBondContact O-N 2.93Å; L100-Y104 WeakPolarHBondContact O-CB 3.29Å; L100-Y104 PolarHBondContact O-N 2.98Å
101	S	94.1	Very high	93.8	Very high	43 Å²	43	81.1 Å²	81.1	30%	0.301	42%	0.42	S	S	.	.	H	α-helix	trans	-64.5	-43.3	176.9	60.7	0	0	0	0	111.1	F65 I97 L98 Y104 E105	F65-S101 WeakPolarHBondContact CE1-OG 3.47Å; I97-S101 PolarHBondContact O-N 3.27Å; I97-S101 PolarHBondContact O-OG 3.48Å; L98-S101 WeakPolarHBondContact CA-OG 3.38Å; L98-S101 PolarHBondContact O-N 3.49Å; L98-S101 PolarHBondContact O-OG 3.31Å; S101-Y104 PolarHBondContact O-N 3.34Å; S101-E105 PolarHBondContact O-N 2.85Å
102	L	94.6	Very high	93.3	Very high	73 Å²	73	83.9 Å²	83.9	38%	0.382	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-45.9	173.2	-175.3	69.6	0	0	0	112.2	F65 L98 Y104 E105 W106 L111	F65-L102 HydrophobicContact CE1-CB 4.39Å; F65-L102 HydrophobicContact CE2-CD1 3.85Å; F65-L102 HydrophobicContact CZ-CB 3.8Å; F65-L102 HydrophobicContact CZ-CD1 3.78Å; F65-L102 HydrophobicContact CZ-CG 4.39Å; L98-L102 PolarHBondContact O-N 3.37Å; L98-L102 VanDerWaalsContact O-N 3.1Å; L102-Y104 VanDerWaalsContact C-N 3.27Å; L102-Y104 PolarHBondContact O-N 3.5Å; L102-E105 PolarHBondContact O-N 3.39Å; L102-W106 WeakPolarHBondContact O-CB 3.29Å; L102-W106 PolarHBondContact O-N 2.9Å; L102-L111 HydrophobicContact CD1-CD1 4.23Å
103	A	95.8	Very high	92.5	Very high	45 Å²	45	90.2 Å²	90.2	37%	0.372	45%	0.452	S	S	.	.	H	α-helix	trans	-60.9	-38.9	178.1	0	0	0	0	0	111.7	A99 L100 L107	A99-A103 VanDerWaalsContact O-CB 3.28Å; A99-A103 WeakPolarHBondContact O-CB 3.34Å; A99-A103 PolarHBondContact O-N 3.04Å; L100-A103 PolarHBondContact O-N 2.93Å; A103-L107 WeakPolarHBondContact O-CB 3.5Å; A103-L107 VanDerWaalsContact O-CG 3.26Å; A103-L107 WeakPolarHBondContact O-CG 3.24Å; A103-L107 PolarHBondContact O-N 2.98Å
104	Y	94.7	Very high	90.9	Very high	150 Å²	150	88.3 Å²	88.3	59%	0.588	45%	0.452	S	S	*	.	H	α-helix	trans	-64.1	-47.2	175.5	178.9	-98	0	0	0	111.9	L100 S101 L102 W106 L107 Q108	L100-Y104 WeakPolarHBondContact O-CB 3.29Å; L100-Y104 PolarHBondContact O-N 2.98Å; S101-Y104 PolarHBondContact O-N 3.34Å; L102-Y104 VanDerWaalsContact C-N 3.27Å; L102-Y104 PolarHBondContact O-N 3.5Å; Y104-W106 VanDerWaalsContact C-N 3.3Å; Y104-W106 PolarHBondContact O-N 3.43Å; Y104-L107 PolarHBondContact O-N 2.89Å; Y104-Q108 HydrophobicContact CD1-CG 4.34Å; Y104-Q108 HydrophobicContact CD2-CG 4.47Å; Y104-Q108 HydrophobicContact CE1-CG 3.92Å; Y104-Q108 HydrophobicContact CE2-CG 4.07Å; Y104-Q108 WeakPolarHBondContact O-CG 3.14Å; Y104-Q108 PolarHBondContact O-N 3.44Å; Y104-Q108 PolarHBondContact OH-NE2 2.94Å
105	E	93.3	Very high	88.9	Confident	23 Å²	23	98.9 Å²	98.9	11%	0.107	50%	0.5	C	S	.	.	H	α-helix	trans	-61.3	-40.2	178.4	-167.9	-175.2	176.2	0	0	112	T61 S101 L102 Q108 K109 G110 L111	T61-E105 VanDerWaalsContact CB-OE1 3.3Å; T61-E105 WeakPolarHBondContact CB-OE1 3.34Å; T61-E105 VanDerWaalsContact CB-OE2 3.3Å; T61-E105 WeakPolarHBondContact CB-OE2 3.26Å; T61-E105 HydrophobicContact CG2-CG 4.33Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.47Å; T61-E105 VanDerWaalsContact CG2-OE2 3.31Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.24Å; T61-E105 PolarHBondContact OG1-OE1 2.95Å; S101-E105 PolarHBondContact O-N 2.85Å; L102-E105 PolarHBondContact O-N 3.39Å; E105-Q108 PolarHBondContact O-N 3.39Å; E105-K109 PolarHBondContact O-N 3.45Å; E105-G110 PolarHBondContact O-N 3.26Å; E105-G110 VanDerWaalsContact O-N 3.08Å; E105-L111 HydrophobicContact CG-CD2 4.47Å; E105-L111 HydrophobicContact CG-CG 4.17Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.39Å
106	W	92.3	Very high	88.5	Confident	177 Å²	177	99.8 Å²	99.8	67%	0.67	50%	0.504	S	S	*	.	H	α-helix	trans	-61.7	-50.4	174.5	-170.1	-58	0	0	0	111.5	L102 Y104 Q108 K109 L111	L102-W106 WeakPolarHBondContact O-CB 3.29Å; L102-W106 PolarHBondContact O-N 2.9Å; Y104-W106 VanDerWaalsContact C-N 3.3Å; Y104-W106 PolarHBondContact O-N 3.43Å; W106-Q108 PolarHBondContact O-N 3.44Å; W106-K109 PolarHBondContact O-N 2.96Å; W106-L111 HydrophobicContact CB-CD1 4.5Å; W106-L111 HydrophobicContact CE3-CD1 4.22Å
107	L	94.4	Very high	88.1	Confident	141 Å²	141	100.7 Å²	100.7	74%	0.738	51%	0.505	S	S	*	.	H	α-helix	trans	-61.1	-32.8	-179.4	-75.1	168.1	0	0	0	112.3	A103 Y104 K109	A103-L107 WeakPolarHBondContact O-CB 3.5Å; A103-L107 VanDerWaalsContact O-CG 3.26Å; A103-L107 WeakPolarHBondContact O-CG 3.24Å; A103-L107 PolarHBondContact O-N 2.98Å; Y104-L107 PolarHBondContact O-N 2.89Å; L107-K109 PolarHBondContact O-N 3.35Å
108	Q	91	Very high	87.7	Confident	118 Å²	118	101.6 Å²	101.6	55%	0.551	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	5.8	176.5	-65.1	-64	-5.8	0	0	113.9	Y104 E105 W106 G110	Y104-Q108 HydrophobicContact CD1-CG 4.34Å; Y104-Q108 HydrophobicContact CD2-CG 4.47Å; Y104-Q108 HydrophobicContact CE1-CG 3.92Å; Y104-Q108 HydrophobicContact CE2-CG 4.07Å; Y104-Q108 WeakPolarHBondContact O-CG 3.14Å; Y104-Q108 PolarHBondContact O-N 3.44Å; Y104-Q108 PolarHBondContact OH-NE2 2.94Å; E105-Q108 PolarHBondContact O-N 3.39Å; W106-Q108 PolarHBondContact O-N 3.44Å; Q108-G110 PolarHBondContact O-N 3.32Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
109	K	88.3	Confident	87.2	Confident	145 Å²	145	105.3 Å²	105.3	63%	0.63	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	23.8	-178.4	-54.3	-172.5	173.1	-174.7	0	113.2	E105 W106 L107 L111 D112	E105-K109 PolarHBondContact O-N 3.45Å; W106-K109 PolarHBondContact O-N 2.96Å; L107-K109 PolarHBondContact O-N 3.35Å; K109-L111 PolarHBondContact O-N 3.37Å; K109-D112 HydrophobicContact CB-CB 3.95Å; K109-D112 WeakPolarHBondContact CB-OD2 3.32Å; K109-D112 VanDerWaalsContact CD-OD2 3.32Å; K109-D112 WeakPolarHBondContact CD-OD2 3.03Å; K109-D112 WeakPolarHBondContact CG-OD2 3.09Å; K109-D112 PolarHBondContact O-N 3.39Å; K109-D112 VanDerWaalsContact O-N 3.16Å
110	G	84.2	Confident	86.6	Confident	22 Å²	22	108.6 Å²	108.6	23%	0.227	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.6	176.1	0	0	0	0	0	112	E105 Q108	E105-G110 PolarHBondContact O-N 3.26Å; E105-G110 VanDerWaalsContact O-N 3.08Å; Q108-G110 PolarHBondContact O-N 3.32Å; Q108-G110 VanDerWaalsContact O-N 3.15Å
111	L	86	Confident	86	Confident	53 Å²	53	108.3 Å²	108.3	28%	0.277	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.7	177.8	-58	174.8	0	0	0	113.3	L102 E105 W106 K109 W113	L102-L111 HydrophobicContact CD1-CD1 4.23Å; E105-L111 HydrophobicContact CG-CD2 4.47Å; E105-L111 HydrophobicContact CG-CG 4.17Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.39Å; W106-L111 HydrophobicContact CB-CD1 4.5Å; W106-L111 HydrophobicContact CE3-CD1 4.22Å; K109-L111 PolarHBondContact O-N 3.37Å; L111-W113 VanDerWaalsContact O-CD1 3.23Å; L111-W113 PolarHBondContact O-N 2.96Å
112	D	84.8	Confident	85.4	Confident	77 Å²	77	112.9 Å²	112.9	41%	0.412	54%	0.544	S	S	.	.			trans	-73.9	114.2	179.7	-81.7	-7.3	0	0	0	110.1	K54 K109 A114	K54-D112 PolarHBondContact NZ-O 3.12Å; K109-D112 HydrophobicContact CB-CB 3.95Å; K109-D112 WeakPolarHBondContact CB-OD2 3.32Å; K109-D112 VanDerWaalsContact CD-OD2 3.32Å; K109-D112 WeakPolarHBondContact CD-OD2 3.03Å; K109-D112 WeakPolarHBondContact CG-OD2 3.09Å; K109-D112 PolarHBondContact O-N 3.39Å; K109-D112 VanDerWaalsContact O-N 3.16Å; D112-A114 PolarHBondContact O-N 3.49Å
113	W	78.9	Confident	84.7	Confident	220 Å²	220	116 Å²	116	83%	0.833	56%	0.556	S	S	*	*			trans	-79.2	112.6	168.2	-63.9	13.5	0	0	0	106.1	L111	L111-W113 VanDerWaalsContact O-CD1 3.23Å; L111-W113 PolarHBondContact O-N 2.96Å
114	A	62.7	Low	83.8	Confident	70 Å²	70	121.9 Å²	121.9	58%	0.579	57%	0.572	S	S	*	*			trans	-90	131.3	164.3	0	0	0	0	0	105.3	K54 D112	K54-A114 VanDerWaalsContact NZ-CB 3.3Å; D112-A114 PolarHBondContact O-N 3.49Å
115	E	54.6	Low	82.8	Confident	267 Å²	267	119.4 Å²	119.4	100%	1.248	57%	0.57	S	S	*	*			trans	-51.7	0	155.9	-64.9	179.5	173.8	0	0	110.4

Retrieved 115 of 115 residues in 93.4 ms (Link to these results)

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