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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 A0A075DCW1, Species MOUSE (Mus musculus, Mouse), Gene ND3, Length 115 aa.

						>A0A075DCW1_MOUSE|A0A075DCW1|ND3
MNLYTAIFINILLSLALIMVAFWLPQMNLYSEKANPYECGFDPTSSARLPFSMKFFLVAITFLLFDLEIALLLPLPWAIQTIKTSTMTTMAFILITILSLGLAYEWTQKGLEWTE
					

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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	79.6	Confident	95.8	Very high	176 Å²	176	112.2 Å²	112.2	87%	0.867	57%	0.568	S	S	*	*				0	-52.2	0	-146.3	70.8	89.4	0	0	111.7	L3 Y4 T5	M1-L3 PolarHBondContact O-N 2.93Å; M1-Y4 WeakPolarHBondContact O-CB 3.34Å; M1-Y4 PolarHBondContact O-N 3.3Å; M1-Y4 VanDerWaalsContact O-N 3.08Å; M1-T5 HydrophobicContact CG-CG2 4.47Å; M1-T5 PolarHBondContact O-N 3.37Å; M1-T5 PolarHBondContact O-OG1 3.46Å
2	N	95.3	Very high	96	Very high	136 Å²	136	110 Å²	110	73%	0.727	56%	0.559	S	S	*	*	H	α-helix	trans	-57.8	-38.6	-174.2	-59.3	9.5	0	0	0	115.2	T5 A6	N2-T5 VanDerWaalsContact C-OG1 3.3Å; N2-T5 VanDerWaalsContact CA-OG1 3.26Å; N2-T5 WeakPolarHBondContact CA-OG1 3.46Å; N2-T5 PolarHBondContact O-OG1 3.2Å; N2-A6 WeakPolarHBondContact O-CB 3.3Å; N2-A6 PolarHBondContact O-N 2.88Å
3	L	96.4	Very high	96.2	Very high	123 Å²	123	109.4 Å²	109.4	64%	0.644	56%	0.557	S	S	*	*	H	α-helix	trans	-66.7	-45	175.5	-177.1	66.8	0	0	0	111.5	M1 T5 A6 I7	M1-L3 PolarHBondContact O-N 2.93Å; L3-T5 VanDerWaalsContact C-N 3.33Å; L3-T5 PolarHBondContact O-N 2.86Å; L3-A6 PolarHBondContact O-N 3.47Å; L3-I7 HydrophobicContact CD1-CD1 4.27Å; L3-I7 HydrophobicContact CG-CD1 3.94Å; L3-I7 WeakPolarHBondContact O-CG1 3.38Å; L3-I7 PolarHBondContact O-N 3.27Å
4	Y	96.9	Very high	96.3	Very high	180 Å²	180	105.7 Å²	105.7	71%	0.706	55%	0.546	S	S	*	.	H	α-helix	trans	-61.9	-41.2	177	-69	-72.2	0	0	0	111.8	M1 A6 I7 F8	M1-Y4 WeakPolarHBondContact O-CB 3.34Å; M1-Y4 PolarHBondContact O-N 3.3Å; M1-Y4 VanDerWaalsContact O-N 3.08Å; Y4-A6 VanDerWaalsContact C-N 3.35Å; Y4-I7 PolarHBondContact O-N 2.94Å; Y4-F8 VanDerWaalsContact O-CB 3.22Å; Y4-F8 WeakPolarHBondContact O-CB 3.27Å; Y4-F8 PolarHBondContact O-N 3.43Å
5	T	96.8	Very high	96.4	Very high	67 Å²	67	104.9 Å²	104.9	41%	0.411	54%	0.542	S	S	.	.	H	α-helix	trans	-64.5	-39.4	175.4	53.1	0	0	0	0	111.7	M1 N2 L3 F8 I9	M1-T5 HydrophobicContact CG-CG2 4.47Å; M1-T5 PolarHBondContact O-N 3.37Å; M1-T5 PolarHBondContact O-OG1 3.46Å; N2-T5 VanDerWaalsContact C-OG1 3.3Å; N2-T5 VanDerWaalsContact CA-OG1 3.26Å; N2-T5 WeakPolarHBondContact CA-OG1 3.46Å; N2-T5 PolarHBondContact O-OG1 3.2Å; L3-T5 VanDerWaalsContact C-N 3.33Å; L3-T5 PolarHBondContact O-N 2.86Å; T5-F8 PolarHBondContact O-N 3.3Å; T5-I9 WeakPolarHBondContact O-CD1 3.43Å; T5-I9 WeakPolarHBondContact O-CG1 3.07Å; T5-I9 PolarHBondContact O-N 2.88Å
6	A	97.6	Very high	96.6	Very high	44 Å²	44	101.5 Å²	101.5	36%	0.364	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-46.3	177.1	0	0	0	0	0	112.2	N2 L3 Y4 F8 I9 N10	N2-A6 WeakPolarHBondContact O-CB 3.3Å; N2-A6 PolarHBondContact O-N 2.88Å; L3-A6 PolarHBondContact O-N 3.47Å; Y4-A6 VanDerWaalsContact C-N 3.35Å; A6-F8 VanDerWaalsContact C-N 3.3Å; A6-F8 PolarHBondContact O-N 3.36Å; A6-I9 PolarHBondContact O-N 2.98Å; A6-N10 PolarHBondContact O-N 3.04Å; A6-N10 PolarHBondContact O-ND2 2.78Å
7	I	98.1	Very high	96.7	Very high	81 Å²	81	102.2 Å²	102.2	42%	0.415	54%	0.538	S	S	.	.	H	α-helix	trans	-60.3	-43.6	175.8	-67.1	168.3	0	0	0	110.2	L3 Y4 N10 I11	L3-I7 HydrophobicContact CD1-CD1 4.27Å; L3-I7 HydrophobicContact CG-CD1 3.94Å; L3-I7 WeakPolarHBondContact O-CG1 3.38Å; L3-I7 PolarHBondContact O-N 3.27Å; Y4-I7 PolarHBondContact O-N 2.94Å; I7-N10 PolarHBondContact O-N 3.22Å; I7-I11 HydrophobicContact CG2-CD1 3.75Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 WeakPolarHBondContact O-CG1 3.3Å; I7-I11 PolarHBondContact O-N 3.35Å
8	F	98.1	Very high	96.7	Very high	128 Å²	128	101.3 Å²	101.3	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-62.4	-44.4	178.8	-176.3	-109.1	0	0	0	112.5	Y4 T5 A6 N10 I11 L12	Y4-F8 VanDerWaalsContact O-CB 3.22Å; Y4-F8 WeakPolarHBondContact O-CB 3.27Å; Y4-F8 PolarHBondContact O-N 3.43Å; T5-F8 PolarHBondContact O-N 3.3Å; A6-F8 VanDerWaalsContact C-N 3.3Å; A6-F8 PolarHBondContact O-N 3.36Å; F8-N10 VanDerWaalsContact C-N 3.33Å; F8-N10 PolarHBondContact O-N 3.23Å; F8-I11 PolarHBondContact O-N 3Å; F8-L12 HydrophobicContact CD1-CD1 3.7Å; F8-L12 HydrophobicContact CD1-CG 4.39Å; F8-L12 HydrophobicContact CE1-CD1 3.22Å; F8-L12 HydrophobicContact CE1-CG 4.07Å; F8-L12 HydrophobicContact CE2-CD1 4.3Å; F8-L12 HydrophobicContact CE2-CG 4.32Å; F8-L12 HydrophobicContact CG-CD1 4.43Å; F8-L12 HydrophobicContact CZ-CD1 3.56Å; F8-L12 HydrophobicContact CZ-CD2 4.32Å; F8-L12 HydrophobicContact CZ-CG 4.02Å; F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 WeakPolarHBondContact O-CG 3.26Å; F8-L12 PolarHBondContact O-N 3.41Å
9	I	98.1	Very high	96.8	Very high	105 Å²	105	101.4 Å²	101.4	54%	0.538	53%	0.531	S	S	.	.	H	α-helix	trans	-61.1	-42.8	175.7	-69.7	164.2	0	0	0	110.9	T5 A6 L12 L13	T5-I9 WeakPolarHBondContact O-CD1 3.43Å; T5-I9 WeakPolarHBondContact O-CG1 3.07Å; T5-I9 PolarHBondContact O-N 2.88Å; A6-I9 PolarHBondContact O-N 2.98Å; I9-L12 PolarHBondContact O-N 3.37Å; I9-L13 WeakPolarHBondContact O-CB 3.45Å; I9-L13 PolarHBondContact O-N 3.46Å
10	N	98.2	Very high	96.8	Very high	104 Å²	104	100.5 Å²	100.5	56%	0.556	53%	0.53	S	S	*	.	H	α-helix	trans	-63.6	-42.4	178.8	-72.7	-26.4	0	0	0	112.5	A6 I7 F8 L13 S14	A6-N10 PolarHBondContact O-N 3.04Å; A6-N10 PolarHBondContact O-ND2 2.78Å; I7-N10 PolarHBondContact O-N 3.22Å; F8-N10 VanDerWaalsContact C-N 3.33Å; F8-N10 PolarHBondContact O-N 3.23Å; N10-L13 PolarHBondContact O-N 3.34Å; N10-S14 PolarHBondContact O-N 3.47Å; N10-S14 PolarHBondContact O-OG 2.98Å
11	I	98.4	Very high	96.8	Very high	90 Å²	90	98.8 Å²	98.8	46%	0.462	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-43.1	176.8	-67.4	168.3	0	0	0	110.6	I7 F8 L13 S14 L15	I7-I11 HydrophobicContact CG2-CD1 3.75Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 WeakPolarHBondContact O-CG1 3.3Å; I7-I11 PolarHBondContact O-N 3.35Å; F8-I11 PolarHBondContact O-N 3Å; I11-L13 VanDerWaalsContact C-N 3.32Å; I11-L13 PolarHBondContact O-N 2.89Å; I11-S14 PolarHBondContact O-N 3.42Å; I11-S14 PolarHBondContact O-OG 2.95Å; I11-L15 HydrophobicContact CG2-CD1 3.85Å; I11-L15 HydrophobicContact CG2-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CB 3.14Å; I11-L15 WeakPolarHBondContact O-CG 3.24Å; I11-L15 PolarHBondContact O-N 3.02Å
12	L	98.3	Very high	97.5	Very high	86 Å²	86	97.5 Å²	97.5	45%	0.45	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-41.1	176.8	-79	178.1	0	0	0	112	F8 I9 L15 A16	F8-L12 HydrophobicContact CD1-CD1 3.7Å; F8-L12 HydrophobicContact CD1-CG 4.39Å; F8-L12 HydrophobicContact CE1-CD1 3.22Å; F8-L12 HydrophobicContact CE1-CG 4.07Å; F8-L12 HydrophobicContact CE2-CD1 4.3Å; F8-L12 HydrophobicContact CE2-CG 4.32Å; F8-L12 HydrophobicContact CG-CD1 4.43Å; F8-L12 HydrophobicContact CZ-CD1 3.56Å; F8-L12 HydrophobicContact CZ-CD2 4.32Å; F8-L12 HydrophobicContact CZ-CG 4.02Å; F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 WeakPolarHBondContact O-CG 3.26Å; F8-L12 PolarHBondContact O-N 3.41Å; I9-L12 PolarHBondContact O-N 3.37Å; L12-L15 PolarHBondContact O-N 3.28Å; L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 3.34Å
13	L	98.3	Very high	97.5	Very high	102 Å²	102	100.8 Å²	100.8	53%	0.534	52%	0.522	S	S	.	.	H	α-helix	trans	-64.6	-45.5	178.7	-176.5	65.9	0	0	0	111.5	I9 N10 I11 A16 L17	I9-L13 WeakPolarHBondContact O-CB 3.45Å; I9-L13 PolarHBondContact O-N 3.46Å; N10-L13 PolarHBondContact O-N 3.34Å; I11-L13 VanDerWaalsContact C-N 3.32Å; I11-L13 PolarHBondContact O-N 2.89Å; L13-A16 PolarHBondContact O-N 3.43Å; L13-L17 HydrophobicContact CG-CD1 4.33Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.49Å
14	S	98.4	Very high	97.5	Very high	58 Å²	58	101.7 Å²	101.7	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-41.3	178.1	64.7	0	0	0	0	111.8	N10 I11 L17 I18	N10-S14 PolarHBondContact O-N 3.47Å; N10-S14 PolarHBondContact O-OG 2.98Å; I11-S14 PolarHBondContact O-N 3.42Å; I11-S14 PolarHBondContact O-OG 2.95Å; S14-L17 PolarHBondContact O-N 2.91Å; S14-I18 WeakPolarHBondContact O-CB 3.21Å; S14-I18 VanDerWaalsContact O-CG1 3.25Å; S14-I18 WeakPolarHBondContact O-CG1 3.36Å; S14-I18 PolarHBondContact O-N 3.35Å
15	L	98.3	Very high	97.4	Very high	93 Å²	93	96.3 Å²	96.3	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-42.1	174.5	-74	170.6	0	0	0	112.3	I11 L12 L17 I18 M19	I11-L15 HydrophobicContact CG2-CD1 3.85Å; I11-L15 HydrophobicContact CG2-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CB 3.14Å; I11-L15 WeakPolarHBondContact O-CG 3.24Å; I11-L15 PolarHBondContact O-N 3.02Å; L12-L15 PolarHBondContact O-N 3.28Å; L15-L17 PolarHBondContact O-N 2.93Å; L15-I18 PolarHBondContact O-N 3.41Å; L15-M19 VanDerWaalsContact O-CG 3.3Å; L15-M19 WeakPolarHBondContact O-CG 3.5Å; L15-M19 PolarHBondContact O-N 3.49Å
16	A	98.2	Very high	97	Very high	51 Å²	51	102.4 Å²	102.4	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-61.8	-43.9	176.8	0	0	0	0	0	111.5	L12 L13 M19 V20	L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 3.34Å; L13-A16 PolarHBondContact O-N 3.43Å; A16-M19 PolarHBondContact O-N 3.44Å; A16-V20 WeakPolarHBondContact O-CG2 3.22Å; A16-V20 PolarHBondContact O-N 2.94Å
17	L	98.2	Very high	96.5	Very high	113 Å²	113	106.2 Å²	106.2	59%	0.592	55%	0.55	S	S	*	.	H	α-helix	trans	-63.2	-41.9	175.7	-73.7	169.5	0	0	0	112.1	L13 S14 L15 M19 V20 A21	L13-L17 HydrophobicContact CG-CD1 4.33Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.49Å; S14-L17 PolarHBondContact O-N 2.91Å; L15-L17 PolarHBondContact O-N 2.93Å; L17-M19 VanDerWaalsContact C-N 3.35Å; L17-V20 PolarHBondContact O-N 2.98Å; L17-A21 WeakPolarHBondContact O-CB 3.33Å; L17-A21 PolarHBondContact O-N 3.04Å
18	I	98.1	Very high	96	Very high	86 Å²	86	107.6 Å²	107.6	44%	0.441	56%	0.558	S	S	.	*	H	α-helix	trans	-60.5	-45.3	174.3	-72.1	167.7	0	0	0	110.4	S14 L15 V20 A21 F22	S14-I18 WeakPolarHBondContact O-CB 3.21Å; S14-I18 VanDerWaalsContact O-CG1 3.25Å; S14-I18 WeakPolarHBondContact O-CG1 3.36Å; S14-I18 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 3.41Å; I18-V20 PolarHBondContact O-N 3.45Å; I18-A21 PolarHBondContact O-N 2.99Å; I18-F22 HydrophobicContact CG2-CD2 3.64Å; I18-F22 HydrophobicContact CG2-CE2 3.74Å; I18-F22 VanDerWaalsContact O-CD2 3.3Å; I18-F22 WeakPolarHBondContact O-CD2 3.25Å; I18-F22 PolarHBondContact O-N 3.36Å
19	M	97.2	Very high	95.7	Very high	104 Å²	104	107.8 Å²	107.8	51%	0.512	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-44	177.8	-71.8	-63.8	-73.5	0	0	111.7	L15 A16 L17 A21 F22 W23	L15-M19 VanDerWaalsContact O-CG 3.3Å; L15-M19 WeakPolarHBondContact O-CG 3.5Å; L15-M19 PolarHBondContact O-N 3.49Å; A16-M19 PolarHBondContact O-N 3.44Å; L17-M19 VanDerWaalsContact C-N 3.35Å; M19-A21 VanDerWaalsContact C-N 3.34Å; M19-A21 PolarHBondContact O-N 3.48Å; M19-F22 PolarHBondContact O-N 3.48Å; M19-W23 WeakPolarHBondContact O-CB 3.2Å; M19-W23 PolarHBondContact O-N 3.01Å
20	V	97.5	Very high	95.4	Very high	82 Å²	82	108.3 Å²	108.3	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-61.8	-44	174.7	174.6	0	0	0	0	110.7	A16 L17 I18 F22 W23 L24	A16-V20 WeakPolarHBondContact O-CG2 3.22Å; A16-V20 PolarHBondContact O-N 2.94Å; L17-V20 PolarHBondContact O-N 2.98Å; I18-V20 PolarHBondContact O-N 3.45Å; V20-F22 VanDerWaalsContact C-N 3.32Å; V20-F22 PolarHBondContact O-N 3Å; V20-W23 PolarHBondContact O-N 3.37Å; V20-L24 HydrophobicContact CG1-CB 4.16Å; V20-L24 HydrophobicContact CG1-CD2 4.08Å; V20-L24 WeakPolarHBondContact O-CB 3.44Å; V20-L24 PolarHBondContact O-N 2.97Å
21	A	97.1	Very high	95	Very high	65 Å²	65	107 Å²	107	54%	0.537	56%	0.559	S	S	.	*	H	α-helix	trans	-63.1	-34.9	-179	0	0	0	0	0	113.4	L17 I18 M19 P25	L17-A21 WeakPolarHBondContact O-CB 3.33Å; L17-A21 PolarHBondContact O-N 3.04Å; I18-A21 PolarHBondContact O-N 2.99Å; M19-A21 VanDerWaalsContact C-N 3.34Å; M19-A21 PolarHBondContact O-N 3.48Å; A21-P25 WeakPolarHBondContact O-CD 3.48Å; A21-P25 VanDerWaalsContact O-CG 3.24Å; A21-P25 WeakPolarHBondContact O-CG 3.34Å
22	F	94.8	Very high	94.4	Very high	149 Å²	149	108.6 Å²	108.6	65%	0.654	57%	0.565	S	S	*	*	H	α-helix	trans	-83.4	-33.8	178.3	-83.1	-72.1	0	0	0	113.8	I18 M19 V20	I18-F22 HydrophobicContact CG2-CD2 3.64Å; I18-F22 HydrophobicContact CG2-CE2 3.74Å; I18-F22 VanDerWaalsContact O-CD2 3.3Å; I18-F22 WeakPolarHBondContact O-CD2 3.25Å; I18-F22 PolarHBondContact O-N 3.36Å; M19-F22 PolarHBondContact O-N 3.48Å; V20-F22 VanDerWaalsContact C-N 3.32Å; V20-F22 PolarHBondContact O-N 3Å
23	W	95.2	Very high	93.9	Very high	206 Å²	206	110.2 Å²	110.2	78%	0.78	57%	0.568	S	S	*	*	H	α-helix	trans	-101.4	-22.6	-169.9	-69	79.5	0	0	0	114.6	M19 V20	M19-W23 WeakPolarHBondContact O-CB 3.2Å; M19-W23 PolarHBondContact O-N 3.01Å; V20-W23 PolarHBondContact O-N 3.37Å
24	L	95.3	Very high	93.6	Very high	142 Å²	142	109 Å²	109	74%	0.743	57%	0.573	S	S	*	*	S	Bend	trans	-74	-40.2	178.5	-168	74.9	0	0	0	113.3	V20	V20-L24 HydrophobicContact CG1-CB 4.16Å; V20-L24 HydrophobicContact CG1-CD2 4.08Å; V20-L24 WeakPolarHBondContact O-CB 3.44Å; V20-L24 PolarHBondContact O-N 2.97Å
25	P	94.6	Very high	93.2	Very high	66 Å²	66	110 Å²	110	43%	0.429	57%	0.573	S	S	.	*	S	Bend	trans	-75.9	142.9	-177.8	-17.6	33.4	0	0	0	113.4	A21 M27	A21-P25 WeakPolarHBondContact O-CD 3.48Å; A21-P25 VanDerWaalsContact O-CG 3.24Å; A21-P25 WeakPolarHBondContact O-CG 3.34Å; P25-M27 HydrophobicContact CB-SD 4.49Å; P25-M27 PolarHBondContact O-N 3.05Å
26	Q	88.8	Confident	92.9	Very high	195 Å²	195	110 Å²	110	91%	0.911	58%	0.579	S	S	*	*			trans	-74.7	111.1	169	-168.6	97.3	-10.8	0	0	109.6
27	M	86.9	Confident	92.5	Very high	125 Å²	125	116.9 Å²	116.9	62%	0.616	60%	0.596	S	S	*	*			trans	-89.4	123.4	-179.1	-61.1	-64.5	-83.7	0	0	111	P25 L29	P25-M27 HydrophobicContact CB-SD 4.49Å; P25-M27 PolarHBondContact O-N 3.05Å; M27-L29 HydrophobicContact CE-CD2 4.34Å
28	N	89.2	Confident	92.1	Very high	109 Å²	109	115 Å²	115	58%	0.583	58%	0.584	S	S	*	*			trans	-116.6	95.7	167.8	-178.6	8.3	0	0	0	109.1	K33	N28-K33 WeakPolarHBondContact O-CD 3.37Å; N28-K33 PolarHBondContact O-NZ 3.2Å
29	L	90.4	Very high	91.7	Very high	133 Å²	133	115.6 Å²	115.6	70%	0.696	59%	0.594	S	S	*	*			trans	-93.8	125.5	-174.6	-65.6	164.7	0	0	0	110.3	M27	M27-L29 HydrophobicContact CE-CD2 4.34Å
30	Y	92.5	Very high	91.3	Very high	115 Å²	115	113.7 Å²	113.7	45%	0.451	60%	0.602	S	S	.	*			trans	-146.7	164.1	169.1	56.7	-94.7	0	0	0	109.3	E32 K33 A34	Y30-E32 HydrophobicContact CD2-CB 4.04Å; Y30-E32 HydrophobicContact CD2-CG 4.49Å; Y30-E32 HydrophobicContact CE2-CB 3.86Å; Y30-E32 HydrophobicContact CE2-CG 4.48Å; Y30-E32 PolarHBondContact O-N 2.96Å; Y30-K33 HydrophobicContact CD1-CD 3.89Å; Y30-K33 HydrophobicContact CD1-CG 4.33Å; Y30-K33 HydrophobicContact CD2-CB 4.47Å; Y30-K33 HydrophobicContact CD2-CG 4.41Å; Y30-K33 HydrophobicContact CE1-CD 3.31Å; Y30-K33 HydrophobicContact CE1-CG 3.78Å; Y30-K33 HydrophobicContact CE2-CB 4.36Å; Y30-K33 HydrophobicContact CE2-CD 4.33Å; Y30-K33 HydrophobicContact CE2-CG 3.85Å; Y30-K33 VanDerWaalsContact CZ-CE 3.47Å; Y30-K33 VanDerWaalsContact CZ-CG 3.49Å; Y30-K33 PolarHBondContact O-N 3.27Å; Y30-K33 WeakPolarHBondContact OH-CE 3.34Å; Y30-A34 PolarHBondContact O-N 3.32Å
31	S	88.6	Confident	91	Very high	76 Å²	76	117.3 Å²	117.3	53%	0.531	61%	0.611	S	S	.	*	H	α-helix	trans	-48.1	-51	-169.9	52.5	0	0	0	0	113.5	K33 A34 N35	S31-K33 VanDerWaalsContact C-N 3.3Å; S31-K33 PolarHBondContact O-N 3.01Å; S31-A34 CarbonylContact O-C 3.56Å; S31-A34 PolarHBondContact O-N 3.34Å; S31-N35 PolarHBondContact O-N 3.43Å; S31-N35 PolarHBondContact O-ND2 3.08Å; S31-N35 PolarHBondContact O-OD1 3.27Å
32	E	87.1	Confident	90.6	Very high	125 Å²	125	120.5 Å²	120.5	58%	0.584	62%	0.619	S	S	*	*	H	α-helix	trans	-66.5	-27.4	-176.5	-51.4	-54.8	154	0	0	114.3	Y30 A34 N35	Y30-E32 HydrophobicContact CD2-CB 4.04Å; Y30-E32 HydrophobicContact CD2-CG 4.49Å; Y30-E32 HydrophobicContact CE2-CB 3.86Å; Y30-E32 HydrophobicContact CE2-CG 4.48Å; Y30-E32 PolarHBondContact O-N 2.96Å; E32-A34 VanDerWaalsContact C-N 3.33Å; E32-N35 PolarHBondContact OE2-ND2 2.93Å
33	K	88.4	Confident	90.4	Very high	119 Å²	119	116.2 Å²	116.2	52%	0.517	61%	0.606	S	S	.	*	H	α-helix	trans	-78.2	-20.8	173.4	-84.5	-178.1	-179	171.8	0	112.9	N28 Y30 S31	N28-K33 WeakPolarHBondContact O-CD 3.37Å; N28-K33 PolarHBondContact O-NZ 3.2Å; Y30-K33 HydrophobicContact CD1-CD 3.89Å; Y30-K33 HydrophobicContact CD1-CG 4.33Å; Y30-K33 HydrophobicContact CD2-CB 4.47Å; Y30-K33 HydrophobicContact CD2-CG 4.41Å; Y30-K33 HydrophobicContact CE1-CD 3.31Å; Y30-K33 HydrophobicContact CE1-CG 3.78Å; Y30-K33 HydrophobicContact CE2-CB 4.36Å; Y30-K33 HydrophobicContact CE2-CD 4.33Å; Y30-K33 HydrophobicContact CE2-CG 3.85Å; Y30-K33 VanDerWaalsContact CZ-CE 3.47Å; Y30-K33 VanDerWaalsContact CZ-CG 3.49Å; Y30-K33 PolarHBondContact O-N 3.27Å; Y30-K33 WeakPolarHBondContact OH-CE 3.34Å; S31-K33 VanDerWaalsContact C-N 3.3Å; S31-K33 PolarHBondContact O-N 3.01Å
34	A	91	Very high	90	Very high	77 Å²	77	112.3 Å²	112.3	64%	0.636	61%	0.605	S	S	*	*	H	α-helix	trans	-94.8	-13.8	179	0	0	0	0	0	112.6	Y30 S31 E32	Y30-A34 PolarHBondContact O-N 3.32Å; S31-A34 CarbonylContact O-C 3.56Å; S31-A34 PolarHBondContact O-N 3.34Å; E32-A34 VanDerWaalsContact C-N 3.33Å
35	N	90.1	Very high	89.6	Confident	79 Å²	79	109 Å²	109	42%	0.422	59%	0.594	S	S	.	*	S	Bend	trans	-69.9	150	178.1	-74.9	-18.6	0	0	0	111.7	S31 E32	S31-N35 PolarHBondContact O-N 3.43Å; S31-N35 PolarHBondContact O-ND2 3.08Å; S31-N35 PolarHBondContact O-OD1 3.27Å; E32-N35 PolarHBondContact OE2-ND2 2.93Å
36	P	91.3	Very high	89.2	Confident	94 Å²	94	109.9 Å²	109.9	61%	0.61	60%	0.601	S	S	*	*			trans	-59.6	141.1	175.7	-21.3	32.9	0	0	0	112.1
37	Y	89.4	Confident	89	Confident	195 Å²	195	105.5 Å²	105.5	77%	0.765	60%	0.599	S	S	*	*			trans	-87.4	112.1	177.3	-179.7	-101.4	0	0	0	111.1
38	E	91.1	Very high	88.9	Confident	73 Å²	73	110.5 Å²	110.5	34%	0.341	61%	0.611	S	S	.	*	B	Isolated β-bridge	trans	-115.8	64.2	171.1	-168	161.4	142.3	0	0	110	G40 F41 P43 T44	E38-G40 PolarHBondContact O-N 3.08Å; E38-G40 VanDerWaalsContact O-N 3.08Å; E38-F41 PolarHBondContact O-N 2.94Å; E38-P43 WeakPolarHBondContact OE2-CA 3.15Å; E38-P43 WeakPolarHBondContact OE2-CB 3.06Å; E38-T44 PolarHBondContact OE1-OG1 3Å
39	C	90.1	Very high	88.6	Confident	98 Å²	98	111.4 Å²	111.4	66%	0.662	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	57	27	178.5	-62	0	0	0	0	114.8
40	G	88.9	Confident	88.1	Confident	65 Å²	65	111 Å²	111	67%	0.67	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.5	4.8	-177.2	0	0	0	0	0	114.9	E38	E38-G40 PolarHBondContact O-N 3.08Å; E38-G40 VanDerWaalsContact O-N 3.08Å
41	F	89.2	Confident	87.5	Confident	158 Å²	158	112.3 Å²	112.3	69%	0.693	63%	0.629	S	S	*	*	B	Isolated β-bridge	trans	-107.6	161.3	173.1	-61.8	-84.3	0	0	0	111.4	E38	E38-F41 PolarHBondContact O-N 2.94Å
42	D	90.2	Very high	87.2	Confident	132 Å²	132	111 Å²	111	71%	0.706	62%	0.62	S	S	*	*			trans	-72.9	138.9	170.9	-69.2	-35.9	0	0	0	110.1	T44	D42-T44 PolarHBondContact O-N 3.31Å
43	P	89.5	Confident	87	Confident	58 Å²	58	111.8 Å²	111.8	38%	0.377	63%	0.625	S	S	.	*			trans	-65.9	128	-175.4	25.5	-33.7	0	0	0	112.3	E38 S45	E38-P43 WeakPolarHBondContact OE2-CA 3.15Å; E38-P43 WeakPolarHBondContact OE2-CB 3.06Å; P43-S45 VanDerWaalsContact C-N 3.32Å
44	T	87.2	Confident	86.8	Confident	125 Å²	125	110.4 Å²	110.4	77%	0.767	62%	0.619	S	S	*	*	S	Bend	trans	-73.7	-26.5	-178.2	54.4	0	0	0	0	112.9	E38 D42	E38-T44 PolarHBondContact OE1-OG1 3Å; D42-T44 PolarHBondContact O-N 3.31Å
45	S	86	Confident	86.4	Confident	73 Å²	73	112.1 Å²	112.1	51%	0.51	61%	0.612	S	S	.	*	S	Bend	trans	-153.3	170.5	178.6	66.1	0	0	0	0	110.7	P43	P43-S45 VanDerWaalsContact C-N 3.32Å
46	S	86.7	Confident	86.3	Confident	83 Å²	83	113.4 Å²	113.4	58%	0.58	61%	0.614	S	S	*	*			trans	-68.8	138.4	174.9	63.7	0	0	0	0	111.3	R48	S46-R48 PolarHBondContact O-N 3Å
47	A	84.9	Confident	86.2	Confident	103 Å²	103	112.2 Å²	112.2	85%	0.851	60%	0.602	S	S	*	*	S	Bend	trans	-61.3	-11	171.4	0	0	0	0	0	114.4	L49	A47-L49 VanDerWaalsContact C-N 3.27Å; A47-L49 PolarHBondContact O-N 3.45Å
48	R	85.6	Confident	86.3	Confident	231 Å²	231	105.4 Å²	105.4	87%	0.872	58%	0.581	S	S	*	*			trans	-79.6	77.4	172.7	-65.5	-173.9	-178.1	-172.1	1.3	109.8	S46	S46-R48 PolarHBondContact O-N 3Å
49	L	81.6	Confident	86.3	Confident	127 Å²	127	104.6 Å²	104.6	67%	0.665	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-81.1	153.3	177.9	-66.7	166	0	0	0	111.2	A47 F51	A47-L49 VanDerWaalsContact C-N 3.27Å; A47-L49 PolarHBondContact O-N 3.45Å; L49-F51 PolarHBondContact O-N 3.36Å
50	P	81.6	Confident	86.4	Confident	125 Å²	125	103.4 Å²	103.4	81%	0.812	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-58.2	131.3	169.8	24.8	-32.8	0	0	0	110.2
51	F	78.1	Confident	86.6	Confident	143 Å²	143	101.5 Å²	101.5	63%	0.627	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-75.6	140.2	-176.1	-173.8	-105.5	0	0	0	111.4	L49 F55 F56	L49-F51 PolarHBondContact O-N 3.36Å; F51-F55 HydrophobicContact CE1-CB 3.81Å; F51-F55 HydrophobicContact CE2-CB 4.08Å; F51-F55 HydrophobicContact CE2-CD2 4.45Å; F51-F55 HydrophobicContact CZ-CB 3.33Å; F51-F55 HydrophobicContact CZ-CD2 4.49Å; F51-F55 HydrophobicContact CZ-CG 4.34Å; F51-F56 HydrophobicContact CD1-CB 4.4Å; F51-F56 HydrophobicContact CE1-CB 3.88Å
52	S	83.4	Confident	86.8	Confident	49 Å²	49	100.4 Å²	100.4	34%	0.343	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-73	132.6	177.8	90.9	0	0	0	0	110.9	K54 F55	S52-K54 PolarHBondContact O-N 3.28Å; S52-F55 PolarHBondContact O-N 3.16Å; S52-F55 WeakPolarHBondContact OG-CD2 3.17Å; S52-F55 PolarHBondContact OG-N 3.36Å
53	M	82.7	Confident	87.1	Confident	141 Å²	141	99 Å²	99	70%	0.695	54%	0.535	S	S	*	.	H	α-helix	trans	-64	-20.9	177.7	-69.1	-63.7	-72.1	0	0	113.5	F56 L57	M53-F56 HydrophobicContact CE-CD1 4.27Å; M53-F56 WeakPolarHBondContact O-CB 3.31Å; M53-F56 PolarHBondContact O-N 2.92Å; M53-L57 PolarHBondContact O-N 2.87Å
54	K	83.3	Confident	87.4	Confident	89 Å²	89	100.8 Å²	100.8	39%	0.387	54%	0.541	S	S	.	.	H	α-helix	trans	-68.1	-46	179.5	-63.7	-170.6	-179	-172.4	0	111.9	S52 F56 L57 V58 T114	S52-K54 PolarHBondContact O-N 3.28Å; K54-F56 PolarHBondContact O-N 3.33Å; K54-L57 PolarHBondContact O-N 3.17Å; K54-L57 VanDerWaalsContact O-N 3.16Å; K54-V58 PolarHBondContact O-N 3.04Å; K54-V58 VanDerWaalsContact O-N 3.14Å; K54-T114 PolarHBondContact NZ-OG1 3.33Å
55	F	84.1	Confident	87.7	Confident	114 Å²	114	97 Å²	97	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-30.3	173.9	-67.2	-52.7	0	0	0	112.4	F51 S52 A59 W113	F51-F55 HydrophobicContact CE1-CB 3.81Å; F51-F55 HydrophobicContact CE2-CB 4.08Å; F51-F55 HydrophobicContact CE2-CD2 4.45Å; F51-F55 HydrophobicContact CZ-CB 3.33Å; F51-F55 HydrophobicContact CZ-CD2 4.49Å; F51-F55 HydrophobicContact CZ-CG 4.34Å; S52-F55 PolarHBondContact O-N 3.16Å; S52-F55 WeakPolarHBondContact OG-CD2 3.17Å; S52-F55 PolarHBondContact OG-N 3.36Å; F55-A59 PolarHBondContact O-N 3.47Å; F55-A59 VanDerWaalsContact O-N 3.1Å; F55-W113 HydrophobicContact CE1-CZ2 4.47Å
56	F	88	Confident	88.3	Confident	105 Å²	105	97.4 Å²	97.4	46%	0.461	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-43.2	174.5	179.7	-110	0	0	0	111.9	F51 M53 K54 V58 A59 I60	F51-F56 HydrophobicContact CD1-CB 4.4Å; F51-F56 HydrophobicContact CE1-CB 3.88Å; M53-F56 HydrophobicContact CE-CD1 4.27Å; M53-F56 WeakPolarHBondContact O-CB 3.31Å; M53-F56 PolarHBondContact O-N 2.92Å; K54-F56 PolarHBondContact O-N 3.33Å; F56-V58 VanDerWaalsContact C-N 3.35Å; F56-V58 PolarHBondContact O-N 3.34Å; F56-A59 WeakPolarHBondContact O-CB 3.45Å; F56-A59 PolarHBondContact O-N 3.41Å; F56-A59 VanDerWaalsContact O-N 3.16Å; F56-I60 HydrophobicContact CD1-CD1 3.92Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.3Å; F56-I60 HydrophobicContact CE2-CD1 4.27Å; F56-I60 HydrophobicContact CE2-CG1 4.48Å; F56-I60 HydrophobicContact CZ-CD1 3.53Å; F56-I60 HydrophobicContact CZ-CG1 4.19Å; F56-I60 PolarHBondContact O-N 2.87Å; F56-I60 VanDerWaalsContact O-N 3.09Å
57	L	88.8	Confident	88.7	Confident	69 Å²	69	98.5 Å²	98.5	36%	0.361	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-44.3	177.7	-170.3	147.6	0	0	0	111.3	M53 K54 A59 I60 T61 E105	M53-L57 PolarHBondContact O-N 2.87Å; K54-L57 PolarHBondContact O-N 3.17Å; K54-L57 VanDerWaalsContact O-N 3.16Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 3.43Å; L57-I60 PolarHBondContact O-N 3.22Å; L57-T61 HydrophobicContact CD2-CG2 4.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.46Å; L57-T61 PolarHBondContact O-N 3.28Å; L57-T61 PolarHBondContact O-OG1 3.22Å; L57-E105 HydrophobicContact CD2-CG 4.44Å; L57-E105 VanDerWaalsContact CD2-OE1 3.23Å; L57-E105 WeakPolarHBondContact CD2-OE1 3.43Å
58	V	90.4	Very high	89.1	Confident	52 Å²	52	95.9 Å²	95.9	32%	0.315	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-37.9	174.7	176.3	0	0	0	0	111.9	K54 F56 T61 F62	K54-V58 PolarHBondContact O-N 3.04Å; K54-V58 VanDerWaalsContact O-N 3.14Å; F56-V58 VanDerWaalsContact C-N 3.35Å; F56-V58 PolarHBondContact O-N 3.34Å; V58-T61 PolarHBondContact O-N 3.42Å; V58-T61 PolarHBondContact O-OG1 3.03Å; V58-F62 VanDerWaalsContact O-CB 3.31Å; V58-F62 WeakPolarHBondContact O-CB 3.46Å; V58-F62 PolarHBondContact O-N 3.16Å
59	A	92.3	Very high	89.6	Confident	56 Å²	56	89.3 Å²	89.3	46%	0.463	46%	0.461	S	S	.	.	H	α-helix	trans	-66.5	-37.9	177.5	0	0	0	0	0	112.5	F55 F56 L57 L63	F55-A59 PolarHBondContact O-N 3.47Å; F55-A59 VanDerWaalsContact O-N 3.1Å; F56-A59 WeakPolarHBondContact O-CB 3.45Å; F56-A59 PolarHBondContact O-N 3.41Å; F56-A59 VanDerWaalsContact O-N 3.16Å; L57-A59 VanDerWaalsContact C-N 3.29Å; L57-A59 PolarHBondContact O-N 3.43Å; A59-L63 PolarHBondContact O-N 3.33Å
60	I	93.1	Very high	90.3	Very high	73 Å²	73	86.1 Å²	86.1	37%	0.374	45%	0.453	S	S	.	.	H	α-helix	trans	-66.5	-44.6	175.1	-68.7	172.6	0	0	0	110.5	F56 L57 L63 L64	F56-I60 HydrophobicContact CD1-CD1 3.92Å; F56-I60 HydrophobicContact CE1-CD1 3.32Å; F56-I60 HydrophobicContact CE1-CG1 4.3Å; F56-I60 HydrophobicContact CE2-CD1 4.27Å; F56-I60 HydrophobicContact CE2-CG1 4.48Å; F56-I60 HydrophobicContact CZ-CD1 3.53Å; F56-I60 HydrophobicContact CZ-CG1 4.19Å; F56-I60 PolarHBondContact O-N 2.87Å; F56-I60 VanDerWaalsContact O-N 3.09Å; L57-I60 PolarHBondContact O-N 3.22Å; I60-L63 WeakPolarHBondContact O-CB 2.92Å; I60-L63 PolarHBondContact O-N 3.19Å; I60-L63 VanDerWaalsContact O-N 3.16Å; I60-L64 HydrophobicContact CG2-CD1 4.35Å; I60-L64 PolarHBondContact O-N 3.37Å
61	T	92.4	Very high	91	Very high	25 Å²	25	85.5 Å²	85.5	15%	0.153	44%	0.442	C	S	.	.	H	α-helix	trans	-68.9	-38.7	-178.1	58.8	0	0	0	0	111	L57 V58 L63 L64 F65 E105	L57-T61 HydrophobicContact CD2-CG2 4.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.46Å; L57-T61 PolarHBondContact O-N 3.28Å; L57-T61 PolarHBondContact O-OG1 3.22Å; V58-T61 PolarHBondContact O-N 3.42Å; V58-T61 PolarHBondContact O-OG1 3.03Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 3.09Å; T61-L64 PolarHBondContact O-N 3.16Å; T61-F65 WeakPolarHBondContact O-CD2 3.38Å; T61-F65 PolarHBondContact O-N 3.49Å; T61-E105 WeakPolarHBondContact CB-OE1 3.48Å; T61-E105 WeakPolarHBondContact CB-OE2 3.41Å; T61-E105 HydrophobicContact CG2-CG 4.38Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.4Å; T61-E105 VanDerWaalsContact CG2-OE2 3.3Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.31Å; T61-E105 PolarHBondContact OG1-OE1 3.39Å
62	F	94.1	Very high	91.8	Very high	136 Å²	136	80.4 Å²	80.4	60%	0.596	42%	0.421	S	S	*	.	H	α-helix	trans	-53.3	-47.3	166.8	171.9	-100.8	0	0	0	112.8	V58 L64 F65 D66	V58-F62 VanDerWaalsContact O-CB 3.31Å; V58-F62 WeakPolarHBondContact O-CB 3.46Å; V58-F62 PolarHBondContact O-N 3.16Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.1Å; F62-F65 PolarHBondContact O-N 3.03Å; F62-D66 WeakPolarHBondContact O-CB 3.43Å; F62-D66 PolarHBondContact O-N 3.3Å
63	L	95.6	Very high	92.4	Very high	102 Å²	102	84 Å²	84	53%	0.534	44%	0.436	S	S	.	.	H	α-helix	trans	-60.6	-42.2	178.9	-176.5	75.3	0	0	0	112.2	A59 I60 T61 D66 L67	A59-L63 PolarHBondContact O-N 3.33Å; I60-L63 WeakPolarHBondContact O-CB 2.92Å; I60-L63 PolarHBondContact O-N 3.19Å; I60-L63 VanDerWaalsContact O-N 3.16Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 3.09Å; L63-D66 PolarHBondContact O-N 3.19Å; L63-L67 PolarHBondContact O-N 2.75Å
64	L	94.9	Very high	92.9	Very high	96 Å²	96	80 Å²	80	50%	0.503	42%	0.42	S	S	.	.	H	α-helix	trans	-66	-45.5	177.5	-68	174.9	0	0	0	111.5	I60 T61 F62 D66 L67 E68	I60-L64 HydrophobicContact CG2-CD1 4.35Å; I60-L64 PolarHBondContact O-N 3.37Å; T61-L64 PolarHBondContact O-N 3.16Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.1Å; L64-D66 VanDerWaalsContact C-N 3.3Å; L64-D66 PolarHBondContact O-N 3.25Å; L64-L67 PolarHBondContact O-N 3.32Å; L64-E68 PolarHBondContact O-N 3.03Å
65	F	95.3	Very high	93.5	Very high	45 Å²	45	78 Å²	78	20%	0.197	41%	0.414	C	S	.	.	H	α-helix	trans	-63.3	-34.7	175.9	-76.1	-66.3	0	0	0	112.3	T61 F62 E68 I69 L98 L102	T61-F65 WeakPolarHBondContact O-CD2 3.38Å; T61-F65 PolarHBondContact O-N 3.49Å; F62-F65 PolarHBondContact O-N 3.03Å; F65-E68 PolarHBondContact O-N 3.42Å; F65-I69 VanDerWaalsContact O-CG1 3.26Å; F65-I69 WeakPolarHBondContact O-CG1 3.48Å; F65-I69 PolarHBondContact O-N 3.08Å; F65-L98 HydrophobicContact CD1-CD1 4.02Å; F65-L98 HydrophobicContact CD1-CD2 3.93Å; F65-L98 HydrophobicContact CD1-CG 3.68Å; F65-L98 HydrophobicContact CE1-CD1 4.44Å; F65-L98 HydrophobicContact CE1-CD2 3.64Å; F65-L98 HydrophobicContact CE1-CG 3.6Å; F65-L102 HydrophobicContact CE1-CB 4.35Å; F65-L102 HydrophobicContact CE2-CD1 4.04Å; F65-L102 HydrophobicContact CZ-CB 3.8Å; F65-L102 HydrophobicContact CZ-CD1 3.76Å; F65-L102 HydrophobicContact CZ-CG 4.37Å
66	D	96.9	Very high	93.9	Very high	81 Å²	81	76.6 Å²	76.6	43%	0.433	42%	0.416	S	S	.	.	H	α-helix	trans	-64.5	-39.9	176.7	-166.8	39	0	0	0	111.9	F62 L63 L64 E68 I69 A70	F62-D66 WeakPolarHBondContact O-CB 3.43Å; F62-D66 PolarHBondContact O-N 3.3Å; L63-D66 PolarHBondContact O-N 3.19Å; L64-D66 VanDerWaalsContact C-N 3.3Å; L64-D66 PolarHBondContact O-N 3.25Å; D66-E68 VanDerWaalsContact C-N 3.34Å; D66-E68 PolarHBondContact O-N 3.13Å; D66-I69 PolarHBondContact O-N 3.17Å; D66-A70 PolarHBondContact O-N 3.11Å
67	L	96.1	Very high	94.1	Very high	106 Å²	106	80.5 Å²	80.5	56%	0.555	43%	0.428	S	S	*	.	H	α-helix	trans	-62.1	-41	172.5	-68.6	175	0	0	0	112	L63 L64 A70 L71	L63-L67 PolarHBondContact O-N 2.75Å; L64-L67 PolarHBondContact O-N 3.32Å; L67-A70 WeakPolarHBondContact O-CB 3.07Å; L67-A70 PolarHBondContact O-N 3.15Å; L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 3.04Å; L67-L71 VanDerWaalsContact O-N 3.16Å
68	E	94.1	Very high	94.3	Very high	48 Å²	48	78.7 Å²	78.7	22%	0.224	42%	0.423	C	S	.	.	H	α-helix	trans	-69.9	-36.2	177.4	-66.6	-175.6	174.3	0	0	112.4	L64 F65 D66 A70 L71 L72 L98	L64-E68 PolarHBondContact O-N 3.03Å; F65-E68 PolarHBondContact O-N 3.42Å; D66-E68 VanDerWaalsContact C-N 3.34Å; D66-E68 PolarHBondContact O-N 3.13Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-L71 WeakPolarHBondContact O-CB 3.39Å; E68-L71 PolarHBondContact O-N 2.85Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.17Å; E68-L98 HydrophobicContact CB-CD1 3.98Å; E68-L98 WeakPolarHBondContact OE2-CA 3.32Å; E68-L98 WeakPolarHBondContact OE2-CB 3.27Å; E68-L98 VanDerWaalsContact OE2-CD1 3.26Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.5Å; E68-L98 WeakPolarHBondContact OE2-CG 3.26Å
69	I	95.4	Very high	94.3	Very high	93 Å²	93	81.2 Å²	81.2	48%	0.477	43%	0.433	S	S	.	.	H	α-helix	trans	-63.3	-41.1	172.2	-69.7	164.9	0	0	0	110.4	F65 D66 L71 L72 L73	F65-I69 VanDerWaalsContact O-CG1 3.26Å; F65-I69 WeakPolarHBondContact O-CG1 3.48Å; F65-I69 PolarHBondContact O-N 3.08Å; D66-I69 PolarHBondContact O-N 3.17Å; I69-L71 PolarHBondContact O-N 3.23Å; I69-L72 CarbonylContact O-C 3.53Å; I69-L72 PolarHBondContact O-N 2.99Å; I69-L73 PolarHBondContact O-N 3.26Å
70	A	96.7	Very high	94.3	Very high	60 Å²	60	86.2 Å²	86.2	50%	0.496	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-35.1	174.7	0	0	0	0	0	112	D66 L67 E68 P74	D66-A70 PolarHBondContact O-N 3.11Å; L67-A70 WeakPolarHBondContact O-CB 3.07Å; L67-A70 PolarHBondContact O-N 3.15Å; E68-A70 VanDerWaalsContact C-N 3.33Å; A70-P74 WeakPolarHBondContact O-CD 3.41Å
71	L	94.8	Very high	94.2	Very high	113 Å²	113	85.9 Å²	85.9	59%	0.592	45%	0.449	S	S	*	.	H	α-helix	trans	-70.9	-29.2	173.1	-67.3	172.6	0	0	0	113.3	L67 E68 I69 P74 L94	L67-L71 WeakPolarHBondContact O-CG 3.25Å; L67-L71 PolarHBondContact O-N 3.04Å; L67-L71 VanDerWaalsContact O-N 3.16Å; E68-L71 WeakPolarHBondContact O-CB 3.39Å; E68-L71 PolarHBondContact O-N 2.85Å; I69-L71 PolarHBondContact O-N 3.23Å; L71-P74 VanDerWaalsContact O-CD 3.31Å; L71-P74 WeakPolarHBondContact O-CD 3.26Å; L71-L94 HydrophobicContact CB-CD2 3.92Å
72	L	95.1	Very high	94	Very high	35 Å²	35	93 Å²	93	18%	0.183	48%	0.484	C	S	.	.	H	α-helix	trans	-83.4	-20.9	175.8	-69.1	168.5	0	0	0	113.3	E68 I69 P74 L75 L94 I95 L98	E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.17Å; I69-L72 CarbonylContact O-C 3.53Å; I69-L72 PolarHBondContact O-N 2.99Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; L72-L75 HydrophobicContact CB-CD1 4.16Å; L72-L75 HydrophobicContact CD2-CD1 3.65Å; L72-L75 HydrophobicContact CD2-CG 4.39Å; L72-L75 WeakPolarHBondContact O-CB 3.06Å; L72-L75 WeakPolarHBondContact O-CD1 3.35Å; L72-L75 WeakPolarHBondContact O-CG 3.3Å; L72-L75 PolarHBondContact O-N 2.9Å; L72-L75 VanDerWaalsContact O-N 3.15Å; L72-L94 HydrophobicContact CD2-CD2 3.59Å; L72-L94 HydrophobicContact CD2-CG 4.18Å; L72-L94 HydrophobicContact CG-CD2 3.8Å; L72-L94 HydrophobicContact CG-CG 4.47Å; L72-I95 HydrophobicContact CD1-CG1 4.37Å; L72-I95 HydrophobicContact CD2-CD1 4.46Å; L72-I95 HydrophobicContact CD2-CG1 3.98Å; L72-L98 HydrophobicContact CD1-CD1 4.34Å
73	L	96.4	Very high	93.8	Very high	125 Å²	125	93.5 Å²	93.5	65%	0.654	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-39.6	179.5	-166.5	72.8	0	0	0	115.2	I69 L75 P76	I69-L73 PolarHBondContact O-N 3.26Å; L73-L75 PolarHBondContact O-N 2.94Å; L73-P76 WeakPolarHBondContact O-CD 3.46Å
74	P	94.4	Very high	93.6	Very high	56 Å²	56	92.1 Å²	92.1	36%	0.364	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.1	-179.4	31.1	-36.9	0	0	0	114.9	A70 L71 L72 P76 W77 A78	A70-P74 WeakPolarHBondContact O-CD 3.41Å; L71-P74 VanDerWaalsContact O-CD 3.31Å; L71-P74 WeakPolarHBondContact O-CD 3.26Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; P74-P76 VanDerWaalsContact C-CD 3.42Å; P74-W77 HydrophobicContact CB-CE3 4.07Å; P74-W77 PolarHBondContact O-N 3.22Å; P74-W77 VanDerWaalsContact O-N 3.11Å; P74-A78 PolarHBondContact O-N 3.42Å
75	L	93.8	Very high	93.4	Very high	48 Å²	48	91.3 Å²	91.3	25%	0.251	48%	0.484	S	S	.	.	H	α-helix	trans	-52.7	-42.3	-179.7	-69.3	174.8	0	0	0	113.9	L72 L73 W77 A78 I79 M87 A91	L72-L75 HydrophobicContact CB-CD1 4.16Å; L72-L75 HydrophobicContact CD2-CD1 3.65Å; L72-L75 HydrophobicContact CD2-CG 4.39Å; L72-L75 WeakPolarHBondContact O-CB 3.06Å; L72-L75 WeakPolarHBondContact O-CD1 3.35Å; L72-L75 WeakPolarHBondContact O-CG 3.3Å; L72-L75 PolarHBondContact O-N 2.9Å; L72-L75 VanDerWaalsContact O-N 3.15Å; L73-L75 PolarHBondContact O-N 2.94Å; L75-W77 VanDerWaalsContact C-N 3.26Å; L75-W77 PolarHBondContact O-N 3.34Å; L75-A78 PolarHBondContact O-N 3.01Å; L75-A78 VanDerWaalsContact O-N 3.08Å; L75-I79 WeakPolarHBondContact O-CG1 3.36Å; L75-I79 PolarHBondContact O-N 3.48Å; L75-M87 HydrophobicContact CB-CE 3.94Å; L75-M87 HydrophobicContact CD2-CE 3.23Å; L75-M87 HydrophobicContact CG-CE 4.14Å; L75-M87 WeakPolarHBondContact O-CE 3.47Å; L75-A91 HydrophobicContact CD1-CB 4.49Å; L75-A91 HydrophobicContact CD2-CB 3.56Å
76	P	93.1	Very high	93.3	Very high	85 Å²	85	92.8 Å²	92.8	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-58.8	-35.7	178.9	-25.4	36.3	0	0	0	113.5	L73 P74	L73-P76 WeakPolarHBondContact O-CD 3.46Å; P74-P76 VanDerWaalsContact C-CD 3.42Å
77	W	93.4	Very high	93.1	Very high	186 Å²	186	90.3 Å²	90.3	71%	0.705	48%	0.483	S	S	*	.	H	α-helix	trans	-77	-37.9	174.7	-60	-46	0	0	0	111.6	P74 L75 I79 Q80	P74-W77 HydrophobicContact CB-CE3 4.07Å; P74-W77 PolarHBondContact O-N 3.22Å; P74-W77 VanDerWaalsContact O-N 3.11Å; L75-W77 VanDerWaalsContact C-N 3.26Å; L75-W77 PolarHBondContact O-N 3.34Å; W77-I79 VanDerWaalsContact C-N 3.28Å; W77-I79 PolarHBondContact O-N 3.03Å; W77-Q80 WeakPolarHBondContact O-CB 3.39Å; W77-Q80 PolarHBondContact O-N 3.29Å; W77-Q80 VanDerWaalsContact O-N 3.13Å
78	A	92.2	Very high	92.9	Very high	31 Å²	31	88.1 Å²	88.1	26%	0.256	47%	0.474	S	S	.	.	H	α-helix	trans	-66.9	-25.4	-178.6	0	0	0	0	0	113.5	P74 L75 Q80 T81 M87	P74-A78 PolarHBondContact O-N 3.42Å; L75-A78 PolarHBondContact O-N 3.01Å; L75-A78 VanDerWaalsContact O-N 3.08Å; A78-Q80 PolarHBondContact O-N 3.05Å; A78-T81 WeakPolarHBondContact O-CB 3.47Å; A78-T81 VanDerWaalsContact O-CG2 3.25Å; A78-T81 WeakPolarHBondContact O-CG2 3.37Å; A78-T81 PolarHBondContact O-N 3.28Å; A78-T81 PolarHBondContact O-OG1 3.14Å; A78-M87 HydrophobicContact CB-CE 3.7Å; A78-M87 HydrophobicContact CB-CG 3.75Å
79	I	91.1	Very high	93	Very high	105 Å²	105	89.7 Å²	89.7	54%	0.538	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.8	173.8	-69.3	164	0	0	0	112	L75 W77 T81 T84 M87	L75-I79 WeakPolarHBondContact O-CG1 3.36Å; L75-I79 PolarHBondContact O-N 3.48Å; W77-I79 VanDerWaalsContact C-N 3.28Å; W77-I79 PolarHBondContact O-N 3.03Å; I79-T81 PolarHBondContact O-N 3.16Å; I79-T84 WeakPolarHBondContact O-CG2 2.98Å; I79-M87 HydrophobicContact CG1-CE 3.77Å; I79-M87 HydrophobicContact CG1-SD 4.13Å
80	Q	91.4	Very high	92.9	Very high	162 Å²	162	90.8 Å²	90.8	76%	0.757	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.6	-179.9	-57.6	177.2	8.3	0	0	113.2	W77 A78	W77-Q80 WeakPolarHBondContact O-CB 3.39Å; W77-Q80 PolarHBondContact O-N 3.29Å; W77-Q80 VanDerWaalsContact O-N 3.13Å; A78-Q80 PolarHBondContact O-N 3.05Å
81	T	91.8	Very high	92.8	Very high	65 Å²	65	88.6 Å²	88.6	40%	0.399	47%	0.473	S	S	.	.	S	Bend	trans	-74.9	153.5	-179	63.4	0	0	0	0	112.3	A78 I79 K83 T84	A78-T81 WeakPolarHBondContact O-CB 3.47Å; A78-T81 VanDerWaalsContact O-CG2 3.25Å; A78-T81 WeakPolarHBondContact O-CG2 3.37Å; A78-T81 PolarHBondContact O-N 3.28Å; A78-T81 PolarHBondContact O-OG1 3.14Å; I79-T81 PolarHBondContact O-N 3.16Å; T81-K83 PolarHBondContact O-N 3.37Å; T81-T84 WeakPolarHBondContact O-CG2 3.15Å
82	I	87.1	Confident	92.8	Very high	175 Å²	175	90 Å²	90	90%	0.897	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-31	179.6	-59.2	162.4	0	0	0	111.5	T84	I82-T84 PolarHBondContact O-N 3.27Å
83	K	91.3	Very high	92.9	Very high	147 Å²	147	92.3 Å²	92.3	64%	0.639	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	56.6	-177.8	-59.4	-176.6	179.9	179.5	0	111.9	T81 S85 T86 M87	T81-K83 PolarHBondContact O-N 3.37Å; K83-S85 VanDerWaalsContact C-N 3.26Å; K83-S85 PolarHBondContact O-N 2.93Å; K83-T86 HydrophobicContact CB-CG2 4.41Å; K83-T86 VanDerWaalsContact CB-OG1 3.25Å; K83-T86 WeakPolarHBondContact CB-OG1 3.32Å; K83-T86 PolarHBondContact O-N 2.8Å; K83-T86 VanDerWaalsContact O-N 3.15Å; K83-T86 PolarHBondContact O-OG1 3.33Å; K83-M87 PolarHBondContact O-N 3.15Å
84	T	89.4	Confident	92.8	Very high	73 Å²	73	87.9 Å²	87.9	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-55.2	-38.5	-178.4	56.2	0	0	0	0	113.1	I79 T81 I82 T86 M87 T88	I79-T84 WeakPolarHBondContact O-CG2 2.98Å; T81-T84 WeakPolarHBondContact O-CG2 3.15Å; I82-T84 PolarHBondContact O-N 3.27Å; T84-T86 PolarHBondContact O-N 3.23Å; T84-M87 PolarHBondContact O-N 3.31Å; T84-T88 WeakPolarHBondContact O-CG2 3.11Å; T84-T88 PolarHBondContact O-N 3.28Å; T84-T88 PolarHBondContact O-OG1 3.32Å
85	S	91.9	Very high	92.9	Very high	78 Å²	78	89.1 Å²	89.1	55%	0.545	47%	0.466	S	S	.	.	H	α-helix	trans	-60.7	-44.3	177.9	58.6	0	0	0	0	113	K83 M87 T88 T89	K83-S85 VanDerWaalsContact C-N 3.26Å; K83-S85 PolarHBondContact O-N 2.93Å; S85-M87 VanDerWaalsContact C-N 3.35Å; S85-T88 PolarHBondContact O-N 2.94Å; S85-T88 PolarHBondContact O-OG1 3.46Å; S85-T89 WeakPolarHBondContact O-CG2 3.25Å; S85-T89 PolarHBondContact O-N 3.36Å; S85-T89 PolarHBondContact O-OG1 3.03Å
86	T	92.6	Very high	93	Very high	77 Å²	77	90.2 Å²	90.2	47%	0.472	48%	0.475	S	S	.	.	H	α-helix	trans	-66.7	-39.9	178.7	61.1	0	0	0	0	111.5	K83 T84 T89 M90	K83-T86 HydrophobicContact CB-CG2 4.41Å; K83-T86 VanDerWaalsContact CB-OG1 3.25Å; K83-T86 WeakPolarHBondContact CB-OG1 3.32Å; K83-T86 PolarHBondContact O-N 2.8Å; K83-T86 VanDerWaalsContact O-N 3.15Å; K83-T86 PolarHBondContact O-OG1 3.33Å; T84-T86 PolarHBondContact O-N 3.23Å; T86-T89 WeakPolarHBondContact CA-OG1 3.43Å; T86-T89 PolarHBondContact O-N 3.29Å; T86-T89 PolarHBondContact O-OG1 3.41Å; T86-M90 PolarHBondContact O-N 3.05Å
87	M	93.4	Very high	93.1	Very high	28 Å²	28	90.5 Å²	90.5	14%	0.138	47%	0.471	C	S	.	.	H	α-helix	trans	-63.8	-46.5	177.5	173.6	-82.7	173.1	0	0	111.4	L75 A78 I79 K83 T84 S85 M90 A91	L75-M87 HydrophobicContact CB-CE 3.94Å; L75-M87 HydrophobicContact CD2-CE 3.23Å; L75-M87 HydrophobicContact CG-CE 4.14Å; L75-M87 WeakPolarHBondContact O-CE 3.47Å; A78-M87 HydrophobicContact CB-CE 3.7Å; A78-M87 HydrophobicContact CB-CG 3.75Å; I79-M87 HydrophobicContact CG1-CE 3.77Å; I79-M87 HydrophobicContact CG1-SD 4.13Å; K83-M87 PolarHBondContact O-N 3.15Å; T84-M87 PolarHBondContact O-N 3.31Å; S85-M87 VanDerWaalsContact C-N 3.35Å; M87-M90 PolarHBondContact O-N 3Å; M87-A91 WeakPolarHBondContact O-CB 3.26Å; M87-A91 PolarHBondContact O-N 3.28Å
88	T	92.3	Very high	93.2	Very high	60 Å²	60	83.4 Å²	83.4	37%	0.368	45%	0.447	S	S	.	.	H	α-helix	trans	-65.1	-42.3	178.8	55	0	0	0	0	111.2	T84 S85 M90 A91 F92	T84-T88 WeakPolarHBondContact O-CG2 3.11Å; T84-T88 PolarHBondContact O-N 3.28Å; T84-T88 PolarHBondContact O-OG1 3.32Å; S85-T88 PolarHBondContact O-N 2.94Å; S85-T88 PolarHBondContact O-OG1 3.46Å; T88-M90 VanDerWaalsContact C-N 3.35Å; T88-M90 PolarHBondContact O-N 3.3Å; T88-A91 PolarHBondContact O-N 3.12Å; T88-F92 WeakPolarHBondContact O-CD2 3.23Å; T88-F92 PolarHBondContact O-N 2.8Å
89	T	94.8	Very high	93.4	Very high	81 Å²	81	84.8 Å²	84.8	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-59.8	-43.4	175.6	55.3	0	0	0	0	112.4	S85 T86 F92 I93	S85-T89 WeakPolarHBondContact O-CG2 3.25Å; S85-T89 PolarHBondContact O-N 3.36Å; S85-T89 PolarHBondContact O-OG1 3.03Å; T86-T89 WeakPolarHBondContact CA-OG1 3.43Å; T86-T89 PolarHBondContact O-N 3.29Å; T86-T89 PolarHBondContact O-OG1 3.41Å; T89-F92 PolarHBondContact O-N 3.24Å; T89-I93 VanDerWaalsContact O-CG1 3.27Å; T89-I93 WeakPolarHBondContact O-CG1 3.48Å; T89-I93 PolarHBondContact O-N 2.9Å
90	M	93.8	Very high	93.6	Very high	117 Å²	117	85.4 Å²	85.4	58%	0.576	46%	0.458	S	S	*	.	H	α-helix	trans	-67.1	-39.4	178	-170	62.7	-166	0	0	112.2	T86 M87 T88 I93 L94	T86-M90 PolarHBondContact O-N 3.05Å; M87-M90 PolarHBondContact O-N 3Å; T88-M90 VanDerWaalsContact C-N 3.35Å; T88-M90 PolarHBondContact O-N 3.3Å; M90-I93 PolarHBondContact O-N 3.49Å; M90-L94 PolarHBondContact O-N 3.26Å
91	A	94.5	Very high	93.7	Very high	13 Å²	13	79.6 Å²	79.6	11%	0.107	44%	0.441	C	S	.	.	H	α-helix	trans	-61.9	-43.8	175.6	0	0	0	0	0	111.7	L75 M87 T88 L94 I95	L75-A91 HydrophobicContact CD1-CB 4.49Å; L75-A91 HydrophobicContact CD2-CB 3.56Å; M87-A91 WeakPolarHBondContact O-CB 3.26Å; M87-A91 PolarHBondContact O-N 3.28Å; T88-A91 PolarHBondContact O-N 3.12Å; A91-L94 PolarHBondContact O-N 3.1Å; A91-I95 VanDerWaalsContact O-CG1 3.32Å; A91-I95 WeakPolarHBondContact O-CG1 3.18Å; A91-I95 PolarHBondContact O-N 3.12Å
92	F	95.6	Very high	93.9	Very high	143 Å²	143	79.8 Å²	79.8	63%	0.627	44%	0.44	S	S	*	.	H	α-helix	trans	-62.1	-44	174.1	-81.5	-64.5	0	0	0	111.9	T88 T89 L94 I95 T96	T88-F92 WeakPolarHBondContact O-CD2 3.23Å; T88-F92 PolarHBondContact O-N 2.8Å; T89-F92 PolarHBondContact O-N 3.24Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 3.18Å; F92-I95 PolarHBondContact O-N 3.46Å; F92-T96 VanDerWaalsContact O-CG2 3.26Å; F92-T96 WeakPolarHBondContact O-CG2 3.46Å; F92-T96 PolarHBondContact O-N 2.79Å; F92-T96 PolarHBondContact O-OG1 2.99Å
93	I	95.9	Very high	94.3	Very high	83 Å²	83	73.8 Å²	73.8	43%	0.426	42%	0.416	S	S	.	.	H	α-helix	trans	-57.1	-48	176	-70	163.4	0	0	0	110.4	T89 M90 I95 T96 I97	T89-I93 VanDerWaalsContact O-CG1 3.27Å; T89-I93 WeakPolarHBondContact O-CG1 3.48Å; T89-I93 PolarHBondContact O-N 2.9Å; M90-I93 PolarHBondContact O-N 3.49Å; I93-I95 PolarHBondContact O-N 3.02Å; I93-T96 WeakPolarHBondContact CA-OG1 3.44Å; I93-T96 PolarHBondContact O-N 3.16Å; I93-T96 PolarHBondContact O-OG1 3.02Å; I93-I97 HydrophobicContact CG2-CD1 3.84Å; I93-I97 WeakPolarHBondContact O-CG1 3.43Å; I93-I97 PolarHBondContact O-N 2.97Å
94	L	95.3	Very high	94.5	Very high	33 Å²	33	74 Å²	74	17%	0.173	41%	0.414	C	S	.	.	H	α-helix	trans	-60.7	-46.3	179.9	-173.5	64.4	0	0	0	112	L71 L72 M90 A91 F92 T96 I97 L98	L71-L94 HydrophobicContact CB-CD2 3.92Å; L72-L94 HydrophobicContact CD2-CD2 3.59Å; L72-L94 HydrophobicContact CD2-CG 4.18Å; L72-L94 HydrophobicContact CG-CD2 3.8Å; L72-L94 HydrophobicContact CG-CG 4.47Å; M90-L94 PolarHBondContact O-N 3.26Å; A91-L94 PolarHBondContact O-N 3.1Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 3.18Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.46Å; L94-I97 PolarHBondContact O-N 3.48Å; L94-L98 PolarHBondContact O-N 3.31Å
95	I	96.1	Very high	94.6	Very high	81 Å²	81	71.5 Å²	71.5	42%	0.415	40%	0.398	S	S	.	.	H	α-helix	trans	-63.7	-38.5	177	-65.8	166.1	0	0	0	111.3	L72 A91 F92 I93 L98 S99	L72-I95 HydrophobicContact CD1-CG1 4.37Å; L72-I95 HydrophobicContact CD2-CD1 4.46Å; L72-I95 HydrophobicContact CD2-CG1 3.98Å; A91-I95 VanDerWaalsContact O-CG1 3.32Å; A91-I95 WeakPolarHBondContact O-CG1 3.18Å; A91-I95 PolarHBondContact O-N 3.12Å; F92-I95 PolarHBondContact O-N 3.46Å; I93-I95 PolarHBondContact O-N 3.02Å; I95-L98 WeakPolarHBondContact O-CB 3.48Å; I95-L98 PolarHBondContact O-N 3.42Å; I95-S99 WeakPolarHBondContact O-CB 3.36Å; I95-S99 PolarHBondContact O-N 3.22Å; I95-S99 PolarHBondContact O-OG 2.94Å
96	T	96.6	Very high	94.7	Very high	72 Å²	72	75.9 Å²	75.9	44%	0.442	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-41.5	177.3	57.2	0	0	0	0	111.7	F92 I93 L94 L98 S99 L100	F92-T96 VanDerWaalsContact O-CG2 3.26Å; F92-T96 WeakPolarHBondContact O-CG2 3.46Å; F92-T96 PolarHBondContact O-N 2.79Å; F92-T96 PolarHBondContact O-OG1 2.99Å; I93-T96 WeakPolarHBondContact CA-OG1 3.44Å; I93-T96 PolarHBondContact O-N 3.16Å; I93-T96 PolarHBondContact O-OG1 3.02Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.46Å; T96-L98 PolarHBondContact O-N 2.93Å; T96-S99 WeakPolarHBondContact CA-OG 3.38Å; T96-S99 PolarHBondContact O-N 3.42Å; T96-S99 PolarHBondContact O-OG 3.41Å; T96-L100 WeakPolarHBondContact O-CB 3.36Å; T96-L100 VanDerWaalsContact O-CG 3.31Å; T96-L100 WeakPolarHBondContact O-CG 3.11Å; T96-L100 PolarHBondContact O-N 3.29Å
97	I	95.4	Very high	94.7	Very high	91 Å²	91	76.9 Å²	76.9	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-46.6	175.7	-67.7	167.3	0	0	0	110.3	I93 L94 S99 L100 G101	I93-I97 HydrophobicContact CG2-CD1 3.84Å; I93-I97 WeakPolarHBondContact O-CG1 3.43Å; I93-I97 PolarHBondContact O-N 2.97Å; L94-I97 PolarHBondContact O-N 3.48Å; I97-S99 VanDerWaalsContact C-N 3.34Å; I97-S99 PolarHBondContact O-N 3.44Å; I97-L100 PolarHBondContact O-N 3.39Å; I97-G101 PolarHBondContact O-N 3.39Å
98	L	94.9	Very high	94.6	Very high	37 Å²	37	81.2 Å²	81.2	19%	0.194	43%	0.428	C	S	.	.	H	α-helix	trans	-55.1	-49.3	175.8	-172.8	154.8	0	0	0	111.4	F65 E68 L72 L94 I95 T96 L100 G101 L102	F65-L98 HydrophobicContact CD1-CD1 4.02Å; F65-L98 HydrophobicContact CD1-CD2 3.93Å; F65-L98 HydrophobicContact CD1-CG 3.68Å; F65-L98 HydrophobicContact CE1-CD1 4.44Å; F65-L98 HydrophobicContact CE1-CD2 3.64Å; F65-L98 HydrophobicContact CE1-CG 3.6Å; E68-L98 HydrophobicContact CB-CD1 3.98Å; E68-L98 WeakPolarHBondContact OE2-CA 3.32Å; E68-L98 WeakPolarHBondContact OE2-CB 3.27Å; E68-L98 VanDerWaalsContact OE2-CD1 3.26Å; E68-L98 WeakPolarHBondContact OE2-CD1 3.5Å; E68-L98 WeakPolarHBondContact OE2-CG 3.26Å; L72-L98 HydrophobicContact CD1-CD1 4.34Å; L94-L98 PolarHBondContact O-N 3.31Å; I95-L98 WeakPolarHBondContact O-CB 3.48Å; I95-L98 PolarHBondContact O-N 3.42Å; T96-L98 PolarHBondContact O-N 2.93Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 2.86Å; L98-G101 PolarHBondContact O-N 3.2Å; L98-L102 PolarHBondContact O-N 3.43Å
99	S	95.2	Very high	94.5	Very high	60 Å²	60	84.3 Å²	84.3	42%	0.42	44%	0.436	S	S	.	.	H	α-helix	trans	-64.6	-35.1	179.6	72	0	0	0	0	113.1	I95 T96 I97 A103	I95-S99 WeakPolarHBondContact O-CB 3.36Å; I95-S99 PolarHBondContact O-N 3.22Å; I95-S99 PolarHBondContact O-OG 2.94Å; T96-S99 WeakPolarHBondContact CA-OG 3.38Å; T96-S99 PolarHBondContact O-N 3.42Å; T96-S99 PolarHBondContact O-OG 3.41Å; I97-S99 VanDerWaalsContact C-N 3.34Å; I97-S99 PolarHBondContact O-N 3.44Å; S99-A103 WeakPolarHBondContact O-CB 3.39Å; S99-A103 PolarHBondContact O-N 2.74Å
100	L	96.5	Very high	94	Very high	118 Å²	118	81.3 Å²	81.3	62%	0.618	42%	0.422	S	S	*	.	H	α-helix	trans	-71.9	-38.4	176.8	-73.8	172.2	0	0	0	111.5	T96 I97 L98 A103 Y104	T96-L100 WeakPolarHBondContact O-CB 3.36Å; T96-L100 VanDerWaalsContact O-CG 3.31Å; T96-L100 WeakPolarHBondContact O-CG 3.11Å; T96-L100 PolarHBondContact O-N 3.29Å; I97-L100 PolarHBondContact O-N 3.39Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 2.86Å; L100-A103 PolarHBondContact O-N 2.97Å; L100-Y104 WeakPolarHBondContact O-CB 3.48Å; L100-Y104 PolarHBondContact O-N 3.17Å
101	G	94.1	Very high	93.6	Very high	39 Å²	39	78.5 Å²	78.5	40%	0.402	41%	0.409	S	S	.	.	H	α-helix	trans	-59.6	-47	173.3	0	0	0	0	0	111.7	I97 L98 Y104 E105	I97-G101 PolarHBondContact O-N 3.39Å; L98-G101 PolarHBondContact O-N 3.2Å; G101-Y104 PolarHBondContact O-N 2.94Å; G101-E105 PolarHBondContact O-N 2.96Å
102	L	94.6	Very high	93.2	Very high	70 Å²	70	82 Å²	82	37%	0.366	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-46.1	174.9	-173.1	71	0	0	0	112.1	F65 L98 Y104 E105 W106 L111	F65-L102 HydrophobicContact CE1-CB 4.35Å; F65-L102 HydrophobicContact CE2-CD1 4.04Å; F65-L102 HydrophobicContact CZ-CB 3.8Å; F65-L102 HydrophobicContact CZ-CD1 3.76Å; F65-L102 HydrophobicContact CZ-CG 4.37Å; L98-L102 PolarHBondContact O-N 3.43Å; L102-Y104 VanDerWaalsContact C-N 3.29Å; L102-Y104 PolarHBondContact O-N 2.89Å; L102-E105 PolarHBondContact O-N 3.4Å; L102-W106 WeakPolarHBondContact O-CB 3.33Å; L102-W106 PolarHBondContact O-N 2.98Å; L102-L111 HydrophobicContact CD1-CD1 4.24Å
103	A	95.8	Very high	92.6	Very high	49 Å²	49	84 Å²	84	41%	0.405	43%	0.427	S	S	.	.	H	α-helix	trans	-60.2	-41.2	178.1	0	0	0	0	0	111.4	S99 L100 W106 T107	S99-A103 WeakPolarHBondContact O-CB 3.39Å; S99-A103 PolarHBondContact O-N 2.74Å; L100-A103 PolarHBondContact O-N 2.97Å; A103-W106 PolarHBondContact O-N 3.12Å; A103-T107 WeakPolarHBondContact O-CG2 3.31Å; A103-T107 PolarHBondContact O-N 3.43Å; A103-T107 PolarHBondContact O-OG1 2.69Å
104	Y	94.9	Very high	91.2	Very high	151 Å²	151	84.9 Å²	84.9	59%	0.592	44%	0.435	S	S	*	.	H	α-helix	trans	-61.1	-50.6	175.5	178.8	-101.6	0	0	0	111.6	L100 G101 L102 W106 T107 Q108	L100-Y104 WeakPolarHBondContact O-CB 3.48Å; L100-Y104 PolarHBondContact O-N 3.17Å; G101-Y104 PolarHBondContact O-N 2.94Å; L102-Y104 VanDerWaalsContact C-N 3.29Å; L102-Y104 PolarHBondContact O-N 2.89Å; Y104-W106 VanDerWaalsContact C-N 3.26Å; Y104-W106 PolarHBondContact O-N 3.41Å; Y104-T107 PolarHBondContact O-N 3.38Å; Y104-T107 VanDerWaalsContact O-N 3.12Å; Y104-T107 PolarHBondContact O-OG1 3.3Å; Y104-Q108 HydrophobicContact CD1-CG 4.31Å; Y104-Q108 HydrophobicContact CD2-CG 4.36Å; Y104-Q108 HydrophobicContact CE1-CG 3.88Å; Y104-Q108 HydrophobicContact CE2-CG 3.93Å; Y104-Q108 WeakPolarHBondContact O-CG 3.33Å; Y104-Q108 PolarHBondContact O-N 2.88Å
105	E	93.2	Very high	89.5	Confident	21 Å²	21	95.9 Å²	95.9	10%	0.098	49%	0.486	C	S	.	.	H	α-helix	trans	-58.5	-39.7	178.8	-169.5	-175.3	177.2	0	0	112.2	L57 T61 G101 L102 Q108 K109 G110 L111	L57-E105 HydrophobicContact CD2-CG 4.44Å; L57-E105 VanDerWaalsContact CD2-OE1 3.23Å; L57-E105 WeakPolarHBondContact CD2-OE1 3.43Å; T61-E105 WeakPolarHBondContact CB-OE1 3.48Å; T61-E105 WeakPolarHBondContact CB-OE2 3.41Å; T61-E105 HydrophobicContact CG2-CG 4.38Å; T61-E105 WeakPolarHBondContact CG2-OE1 3.4Å; T61-E105 VanDerWaalsContact CG2-OE2 3.3Å; T61-E105 WeakPolarHBondContact CG2-OE2 3.31Å; T61-E105 PolarHBondContact OG1-OE1 3.39Å; G101-E105 PolarHBondContact O-N 2.96Å; L102-E105 PolarHBondContact O-N 3.4Å; E105-Q108 PolarHBondContact O-N 3.35Å; E105-K109 PolarHBondContact O-N 3.02Å; E105-G110 PolarHBondContact O-N 2.96Å; E105-G110 VanDerWaalsContact O-N 3.1Å; E105-L111 HydrophobicContact CG-CD2 4.42Å; E105-L111 HydrophobicContact CG-CG 4.19Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.49Å
106	W	92.4	Very high	89.2	Confident	170 Å²	170	96.7 Å²	96.7	64%	0.644	49%	0.49	S	S	*	.	H	α-helix	trans	-61.9	-50.1	174.7	-163.9	-45.2	0	0	0	111.3	L102 A103 Y104 Q108 K109 L111	L102-W106 WeakPolarHBondContact O-CB 3.33Å; L102-W106 PolarHBondContact O-N 2.98Å; A103-W106 PolarHBondContact O-N 3.12Å; Y104-W106 VanDerWaalsContact C-N 3.26Å; Y104-W106 PolarHBondContact O-N 3.41Å; W106-Q108 PolarHBondContact O-N 2.96Å; W106-K109 PolarHBondContact O-N 3.3Å; W106-L111 HydrophobicContact CB-CD1 4.41Å; W106-L111 HydrophobicContact CE3-CD1 4.41Å
107	T	94.5	Very high	88.8	Confident	98 Å²	98	97.9 Å²	97.9	60%	0.601	49%	0.492	S	S	*	.	H	α-helix	trans	-62.5	-30.2	-179.6	60.5	0	0	0	0	113	A103 Y104 K109	A103-T107 WeakPolarHBondContact O-CG2 3.31Å; A103-T107 PolarHBondContact O-N 3.43Å; A103-T107 PolarHBondContact O-OG1 2.69Å; Y104-T107 PolarHBondContact O-N 3.38Å; Y104-T107 VanDerWaalsContact O-N 3.12Å; Y104-T107 PolarHBondContact O-OG1 3.3Å; T107-K109 PolarHBondContact O-N 3.3Å
108	Q	91.1	Very high	88.4	Confident	118 Å²	118	98.3 Å²	98.3	55%	0.551	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	7.2	175.2	-63.7	-54.6	-42.1	0	0	113.6	Y104 E105 W106 G110	Y104-Q108 HydrophobicContact CD1-CG 4.31Å; Y104-Q108 HydrophobicContact CD2-CG 4.36Å; Y104-Q108 HydrophobicContact CE1-CG 3.88Å; Y104-Q108 HydrophobicContact CE2-CG 3.93Å; Y104-Q108 WeakPolarHBondContact O-CG 3.33Å; Y104-Q108 PolarHBondContact O-N 2.88Å; E105-Q108 PolarHBondContact O-N 3.35Å; W106-Q108 PolarHBondContact O-N 2.96Å; Q108-G110 PolarHBondContact O-N 3.25Å; Q108-G110 VanDerWaalsContact O-N 3.12Å
109	K	88.4	Confident	88.1	Confident	125 Å²	125	101.9 Å²	101.9	54%	0.543	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	19.9	179.7	-52.4	174.1	157.1	-97	0	113.2	E105 W106 T107 L111 E112	E105-K109 PolarHBondContact O-N 3.02Å; W106-K109 PolarHBondContact O-N 3.3Å; T107-K109 PolarHBondContact O-N 3.3Å; K109-L111 PolarHBondContact O-N 2.72Å; K109-E112 HydrophobicContact CB-CB 4.07Å; K109-E112 HydrophobicContact CB-CG 3.97Å; K109-E112 WeakPolarHBondContact CD-OE2 3.42Å; K109-E112 VanDerWaalsContact CG-CD 3.49Å; K109-E112 HydrophobicContact CG-CG 4.26Å; K109-E112 WeakPolarHBondContact CG-OE2 3.36Å; K109-E112 IonicContact NZ-OE1 3.29Å; K109-E112 PolarHBondContact NZ-OE1 2.77Å; K109-E112 IonicContact NZ-OE2 2.72Å; K109-E112 PolarHBondContact NZ-OE2 3.01Å; K109-E112 PolarHBondContact O-N 3.43Å; K109-E112 VanDerWaalsContact O-N 3.12Å
110	G	84.7	Confident	87.6	Confident	18 Å²	18	104.6 Å²	104.6	19%	0.186	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.3	176.8	0	0	0	0	0	112.4	E105 Q108	E105-G110 PolarHBondContact O-N 2.96Å; E105-G110 VanDerWaalsContact O-N 3.1Å; Q108-G110 PolarHBondContact O-N 3.25Å; Q108-G110 VanDerWaalsContact O-N 3.12Å
111	L	86.7	Confident	87	Confident	59 Å²	59	103.7 Å²	103.7	31%	0.309	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-3.8	178.4	-57	177.4	0	0	0	113.4	L102 E105 W106 K109 W113	L102-L111 HydrophobicContact CD1-CD1 4.24Å; E105-L111 HydrophobicContact CG-CD2 4.42Å; E105-L111 HydrophobicContact CG-CG 4.19Å; E105-L111 WeakPolarHBondContact OE1-CD2 3.49Å; W106-L111 HydrophobicContact CB-CD1 4.41Å; W106-L111 HydrophobicContact CE3-CD1 4.41Å; K109-L111 PolarHBondContact O-N 2.72Å; L111-W113 PolarHBondContact O-N 3.29Å
112	E	85.9	Confident	86.5	Confident	85 Å²	85	108.3 Å²	108.3	40%	0.397	52%	0.518	S	S	.	.			trans	-77.7	118.7	178.9	-74.4	-173.5	179.1	0	0	110.6	K109	K109-E112 HydrophobicContact CB-CB 4.07Å; K109-E112 HydrophobicContact CB-CG 3.97Å; K109-E112 WeakPolarHBondContact CD-OE2 3.42Å; K109-E112 VanDerWaalsContact CG-CD 3.49Å; K109-E112 HydrophobicContact CG-CG 4.26Å; K109-E112 WeakPolarHBondContact CG-OE2 3.36Å; K109-E112 IonicContact NZ-OE1 3.29Å; K109-E112 PolarHBondContact NZ-OE1 2.77Å; K109-E112 IonicContact NZ-OE2 2.72Å; K109-E112 PolarHBondContact NZ-OE2 3.01Å; K109-E112 PolarHBondContact O-N 3.43Å; K109-E112 VanDerWaalsContact O-N 3.12Å
113	W	81.8	Confident	85.9	Confident	187 Å²	187	111.2 Å²	111.2	71%	0.708	53%	0.53	S	S	*	.			trans	-90.7	112.9	170.4	-64.3	9.5	0	0	0	107.3	F55 L111	F55-W113 HydrophobicContact CE1-CZ2 4.47Å; L111-W113 PolarHBondContact O-N 3.29Å
114	T	67.6	Low	85.1	Confident	100 Å²	100	116.4 Å²	116.4	61%	0.613	54%	0.54	S	S	*	.			trans	-82.9	125.6	161	58.5	0	0	0	0	105.4	K54	K54-T114 PolarHBondContact NZ-OG1 3.33Å
115	E	59.7	Low	84.2	Confident	265 Å²	265	113.3 Å²	113.3	100%	1.238	54%	0.535	S	S	*	.			trans	-51.8	0	161.9	-64.4	-178.4	177.7	0	0	110.8

Retrieved 115 of 115 residues in 57.4 ms (Link to these results)

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