A0A023I8U4_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 4L

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. Part of the enzyme membrane arm which is embedded in the lipid bilayer and involved in proton translocation.

AlphaFold DB , UniProt , Accession A0A023I8U4, Species HUMAN (Homo sapiens, Human), Gene ND4L, Length 98 aa.

						>A0A023I8U4_HUMAN|A0A023I8U4|ND4L
MPLIYMNIMLAFTISLLGMLVYRSHLMSSLLCLEGMMLSLFIMATLMTLNTHSLLANIVPIAMLVFAACEAAVGLALLVSISNTYGLDYVHNLNLLQS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69	Low	89	Confident	146 Å²	146	87.5 Å²	87.5	72%	0.719	47%	0.468	S	S	*	.				0	54.4	0	-68.6	-61.2	164.8	0	0	112.2	I4 Y5	M1-I4 HydrophobicContact CB-CD1 4.47Å; M1-I4 HydrophobicContact SD-CD1 3.98Å; M1-Y5 HydrophobicContact CB-CE2 4.42Å; M1-Y5 WeakPolarHBondContact O-CD2 3.46Å
2	P	78.6	Confident	89.4	Confident	102 Å²	102	84.7 Å²	84.7	66%	0.662	45%	0.449	S	S	*	.	H	α-helix	trans	-70.9	-35.5	-173.6	29.1	-34.5	0	0	0	113	I4 Y5 M6	P2-I4 VanDerWaalsContact C-N 3.34Å; P2-I4 PolarHBondContact O-N 2.97Å; P2-Y5 PolarHBondContact O-N 3.38Å; P2-M6 WeakPolarHBondContact O-CG 3.36Å; P2-M6 PolarHBondContact O-N 3.11Å
3	L	89.8	Confident	89.6	Confident	132 Å²	132	82.7 Å²	82.7	69%	0.691	44%	0.442	S	S	*	.	H	α-helix	trans	-63.8	-38.3	-175.3	-149.4	103.9	0	0	0	112.9	M6 N7	L3-M6 PolarHBondContact O-N 3.29Å; L3-N7 PolarHBondContact O-N 2.93Å; L3-N7 VanDerWaalsContact O-N 3.1Å
4	I	91.1	Very high	89.8	Confident	75 Å²	75	85 Å²	85	39%	0.385	45%	0.453	S	S	.	.	H	α-helix	trans	-67.1	-43.9	179	-64.2	167.9	0	0	0	110.2	M1 P2 M6 N7 I8 L46	M1-I4 HydrophobicContact CB-CD1 4.47Å; M1-I4 HydrophobicContact SD-CD1 3.98Å; P2-I4 VanDerWaalsContact C-N 3.34Å; P2-I4 PolarHBondContact O-N 2.97Å; I4-M6 VanDerWaalsContact C-N 3.33Å; I4-M6 PolarHBondContact O-N 3.41Å; I4-N7 PolarHBondContact O-N 3.15Å; I4-I8 HydrophobicContact CG2-CD1 3.69Å; I4-I8 HydrophobicContact CG2-CG1 4.45Å; I4-I8 WeakPolarHBondContact O-CD1 3.48Å; I4-I8 VanDerWaalsContact O-CG1 3.32Å; I4-I8 WeakPolarHBondContact O-CG1 3.36Å; I4-I8 PolarHBondContact O-N 3.21Å; I4-L46 HydrophobicContact CG2-CD1 3.57Å
5	Y	89.9	Confident	89.9	Confident	37 Å²	37	80.4 Å²	80.4	15%	0.145	43%	0.43	C	S	.	.	H	α-helix	trans	-61.7	-40.8	175.8	-71.3	-63.8	0	0	0	112	M1 P2 N7 I8 M9 M43 L46 M47 N50	M1-Y5 HydrophobicContact CB-CE2 4.42Å; M1-Y5 WeakPolarHBondContact O-CD2 3.46Å; P2-Y5 PolarHBondContact O-N 3.38Å; Y5-N7 VanDerWaalsContact C-N 3.35Å; Y5-N7 PolarHBondContact O-N 3.32Å; Y5-I8 PolarHBondContact O-N 3.02Å; Y5-M9 WeakPolarHBondContact O-CB 3.37Å; Y5-M9 VanDerWaalsContact O-CG 3.28Å; Y5-M9 WeakPolarHBondContact O-CG 3.46Å; Y5-M9 PolarHBondContact O-N 3.27Å; Y5-M43 HydrophobicContact CD1-CG 4.1Å; Y5-M43 HydrophobicContact CE1-CG 4.16Å; Y5-L46 HydrophobicContact CE1-CB 3.96Å; Y5-L46 VanDerWaalsContact OH-C 3.29Å; Y5-L46 PolarHBondContact OH-O 3.25Å; Y5-M47 HydrophobicContact CD1-CE 4Å; Y5-M47 HydrophobicContact CE1-CE 3.51Å; Y5-M47 HydrophobicContact CE1-CG 3.96Å; Y5-M47 HydrophobicContact CE1-SD 3.9Å; Y5-M47 HydrophobicContact CE2-CE 4.15Å; Y5-M47 HydrophobicContact CE2-SD 4.38Å; Y5-M47 VanDerWaalsContact CZ-SD 3.59Å; Y5-M47 PolarHBondContact OH-N 3.1Å; Y5-M47 PolarHBondContact OH-SD 3Å; Y5-N50 PolarHBondContact OH-ND2 3.09Å
6	M	92.3	Very high	89.9	Confident	128 Å²	128	79.3 Å²	79.3	63%	0.631	42%	0.424	S	S	*	.	H	α-helix	trans	-60	-43.7	175.5	-66.8	-64.6	-72.3	0	0	112	P2 L3 I4 M9 L10	P2-M6 WeakPolarHBondContact O-CG 3.36Å; P2-M6 PolarHBondContact O-N 3.11Å; L3-M6 PolarHBondContact O-N 3.29Å; I4-M6 VanDerWaalsContact C-N 3.33Å; I4-M6 PolarHBondContact O-N 3.41Å; M6-M9 PolarHBondContact O-N 3.25Å; M6-L10 WeakPolarHBondContact O-CB 3.17Å; M6-L10 WeakPolarHBondContact O-CG 3.35Å; M6-L10 PolarHBondContact O-N 3.09Å
7	N	94	Very high	89.9	Confident	97 Å²	97	80.6 Å²	80.6	52%	0.519	43%	0.43	S	S	.	.	H	α-helix	trans	-66	-39.1	177.8	-74.2	-2.8	0	0	0	112.7	L3 I4 Y5 L10 A11	L3-N7 PolarHBondContact O-N 2.93Å; L3-N7 VanDerWaalsContact O-N 3.1Å; I4-N7 PolarHBondContact O-N 3.15Å; Y5-N7 VanDerWaalsContact C-N 3.35Å; Y5-N7 PolarHBondContact O-N 3.32Å; N7-L10 PolarHBondContact O-N 3.22Å; N7-A11 PolarHBondContact O-N 3.44Å
8	I	93.9	Very high	89.9	Confident	20 Å²	20	77.9 Å²	77.9	10%	0.103	42%	0.424	C	S	.	.	H	α-helix	trans	-69	-40.6	177.9	-64.7	161	0	0	0	110.7	I4 Y5 L10 A11 F12 S39 I42 M43 L46	I4-I8 HydrophobicContact CG2-CD1 3.69Å; I4-I8 HydrophobicContact CG2-CG1 4.45Å; I4-I8 WeakPolarHBondContact O-CD1 3.48Å; I4-I8 VanDerWaalsContact O-CG1 3.32Å; I4-I8 WeakPolarHBondContact O-CG1 3.36Å; I4-I8 PolarHBondContact O-N 3.21Å; Y5-I8 PolarHBondContact O-N 3.02Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 2.65Å; I8-A11 WeakPolarHBondContact O-CB 3.4Å; I8-A11 PolarHBondContact O-N 2.97Å; I8-F12 PolarHBondContact O-N 3.08Å; I8-S39 VanDerWaalsContact CG2-O 3.28Å; I8-S39 WeakPolarHBondContact CG2-O 3.45Å; I8-I42 HydrophobicContact CD1-CB 4.48Å; I8-I42 HydrophobicContact CD1-CG2 3.62Å; I8-I42 HydrophobicContact CG1-CG2 4.26Å; I8-M43 HydrophobicContact CG2-CB 4.03Å; I8-L46 HydrophobicContact CD1-CD1 3.33Å
9	M	92.3	Very high	89.6	Confident	84 Å²	84	76.9 Å²	76.9	41%	0.414	42%	0.417	S	S	.	.	H	α-helix	trans	-63	-38.3	174	-71.3	-59	-66	0	0	111.7	Y5 M6 F12 T13 M43	Y5-M9 WeakPolarHBondContact O-CB 3.37Å; Y5-M9 VanDerWaalsContact O-CG 3.28Å; Y5-M9 WeakPolarHBondContact O-CG 3.46Å; Y5-M9 PolarHBondContact O-N 3.27Å; M6-M9 PolarHBondContact O-N 3.25Å; M9-F12 PolarHBondContact O-N 3.48Å; M9-T13 WeakPolarHBondContact O-CG2 3.29Å; M9-T13 PolarHBondContact O-N 3.38Å; M9-T13 PolarHBondContact O-OG1 3.24Å; M9-M43 HydrophobicContact CG-SD 4.33Å; M9-M43 HydrophobicContact SD-CE 3.78Å; M9-M43 HydrophobicContact SD-SD 3.57Å
10	L	94.3	Very high	89.4	Confident	93 Å²	93	78 Å²	78	49%	0.487	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-42.2	171.9	-77.8	163.4	0	0	0	112.1	M6 N7 I8 F12 T13 I14	M6-L10 WeakPolarHBondContact O-CB 3.17Å; M6-L10 WeakPolarHBondContact O-CG 3.35Å; M6-L10 PolarHBondContact O-N 3.09Å; N7-L10 PolarHBondContact O-N 3.22Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 2.65Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-F12 PolarHBondContact O-N 3.42Å; L10-T13 WeakPolarHBondContact CA-OG1 3.45Å; L10-T13 PolarHBondContact O-N 3.09Å; L10-T13 PolarHBondContact O-OG1 3.41Å; L10-I14 WeakPolarHBondContact O-CB 3.46Å; L10-I14 WeakPolarHBondContact O-CD1 3.47Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 2.96Å
11	A	93.8	Very high	89.1	Confident	48 Å²	48	78.8 Å²	78.8	40%	0.397	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-39.5	175.3	0	0	0	0	0	112	N7 I8 S15	N7-A11 PolarHBondContact O-N 3.44Å; I8-A11 WeakPolarHBondContact O-CB 3.4Å; I8-A11 PolarHBondContact O-N 2.97Å; A11-S15 PolarHBondContact O-N 3.42Å; A11-S15 PolarHBondContact O-OG 2.9Å
12	F	93.7	Very high	88.7	Confident	54 Å²	54	81 Å²	81	24%	0.237	43%	0.431	C	S	.	.	H	α-helix	trans	-63.4	-45.2	174.1	-178.1	-97.3	0	0	0	111.8	I8 M9 L10 I14 S15 L16 M36 S39 L40	I8-F12 PolarHBondContact O-N 3.08Å; M9-F12 PolarHBondContact O-N 3.48Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-F12 PolarHBondContact O-N 3.42Å; F12-I14 PolarHBondContact O-N 3.45Å; F12-S15 WeakPolarHBondContact CA-OG 3.4Å; F12-S15 PolarHBondContact O-N 2.88Å; F12-S15 PolarHBondContact O-OG 3.19Å; F12-L16 HydrophobicContact CE1-CD1 4.44Å; F12-L16 HydrophobicContact CZ-CD1 4.43Å; F12-L16 VanDerWaalsContact O-CB 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.46Å; F12-L16 PolarHBondContact O-N 2.98Å; F12-M36 HydrophobicContact CD2-CB 4.21Å; F12-M36 HydrophobicContact CD2-CG 4.28Å; F12-M36 HydrophobicContact CE2-CB 4.02Å; F12-M36 HydrophobicContact CE2-CG 4.16Å; F12-M36 HydrophobicContact CE2-SD 4.41Å; F12-S39 WeakPolarHBondContact CD2-OG 3.25Å; F12-L40 HydrophobicContact CD2-CD2 4.41Å; F12-L40 HydrophobicContact CD2-CG 4.14Å; F12-L40 HydrophobicContact CE2-CD1 4Å; F12-L40 HydrophobicContact CE2-CD2 4.25Å; F12-L40 HydrophobicContact CE2-CG 3.98Å
13	T	92.4	Very high	87.9	Confident	59 Å²	59	84.6 Å²	84.6	36%	0.362	43%	0.431	S	S	.	.	H	α-helix	trans	-68.3	-36	179.4	56.5	0	0	0	0	112.6	M9 L10 L16 L17	M9-T13 WeakPolarHBondContact O-CG2 3.29Å; M9-T13 PolarHBondContact O-N 3.38Å; M9-T13 PolarHBondContact O-OG1 3.24Å; L10-T13 WeakPolarHBondContact CA-OG1 3.45Å; L10-T13 PolarHBondContact O-N 3.09Å; L10-T13 PolarHBondContact O-OG1 3.41Å; T13-L16 PolarHBondContact O-N 2.97Å; T13-L17 WeakPolarHBondContact O-CB 3.39Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.22Å; T13-L17 PolarHBondContact O-N 3.01Å
14	I	92.6	Very high	86.6	Confident	115 Å²	115	81.1 Å²	81.1	59%	0.59	42%	0.418	S	S	*	.	H	α-helix	trans	-65.9	-43.1	175.8	-66.5	161.2	0	0	0	111	L10 F12 L17 G18	L10-I14 WeakPolarHBondContact O-CB 3.46Å; L10-I14 WeakPolarHBondContact O-CD1 3.47Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 2.96Å; F12-I14 PolarHBondContact O-N 3.45Å; I14-L17 PolarHBondContact O-N 3.01Å; I14-G18 PolarHBondContact O-N 3.35Å
15	S	91.1	Very high	85.8	Confident	16 Å²	16	81.4 Å²	81.4	11%	0.112	42%	0.418	C	S	.	.	H	α-helix	trans	-68.3	-38.3	177.2	50.5	0	0	0	0	112.3	A11 F12 G18 M19 M36	A11-S15 PolarHBondContact O-N 3.42Å; A11-S15 PolarHBondContact O-OG 2.9Å; F12-S15 WeakPolarHBondContact CA-OG 3.4Å; F12-S15 PolarHBondContact O-N 2.88Å; F12-S15 PolarHBondContact O-OG 3.19Å; S15-G18 PolarHBondContact O-N 3.49Å; S15-M19 PolarHBondContact O-N 3.34Å; S15-M36 WeakPolarHBondContact OG-CG 3.47Å
16	L	90.4	Very high	85.1	Confident	62 Å²	62	81.3 Å²	81.3	33%	0.325	42%	0.419	S	S	.	.	H	α-helix	trans	-60.1	-47.9	171.2	-173.3	97.6	0	0	0	111.6	F12 T13 G18 M19 L20 M36	F12-L16 HydrophobicContact CE1-CD1 4.44Å; F12-L16 HydrophobicContact CZ-CD1 4.43Å; F12-L16 VanDerWaalsContact O-CB 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.46Å; F12-L16 PolarHBondContact O-N 2.98Å; T13-L16 PolarHBondContact O-N 2.97Å; L16-G18 VanDerWaalsContact C-N 3.29Å; L16-G18 PolarHBondContact O-N 2.86Å; L16-M19 PolarHBondContact O-N 3.48Å; L16-L20 HydrophobicContact CD2-CD1 4.11Å; L16-L20 HydrophobicContact CG-CD1 4.18Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 3.49Å; L16-M36 HydrophobicContact CB-SD 4.06Å; L16-M36 HydrophobicContact CD1-SD 3.9Å
17	L	90	Very high	84.6	Confident	103 Å²	103	79.2 Å²	79.2	54%	0.539	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-39.8	175.7	-74.7	169	0	0	0	111.3	T13 I14 M19 L20 V21	T13-L17 WeakPolarHBondContact O-CB 3.39Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.22Å; T13-L17 PolarHBondContact O-N 3.01Å; I14-L17 PolarHBondContact O-N 3.01Å; L17-M19 VanDerWaalsContact C-N 3.29Å; L17-M19 PolarHBondContact O-N 2.85Å; L17-L20 PolarHBondContact O-N 3.07Å; L17-V21 WeakPolarHBondContact O-CB 3.41Å; L17-V21 VanDerWaalsContact O-CG2 3.3Å; L17-V21 WeakPolarHBondContact O-CG2 3.3Å; L17-V21 PolarHBondContact O-N 3Å
18	G	88.3	Confident	84.1	Confident	31 Å²	31	76.6 Å²	76.6	32%	0.32	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-34.9	175.5	0	0	0	0	0	113.6	I14 S15 L16	I14-G18 PolarHBondContact O-N 3.35Å; S15-G18 PolarHBondContact O-N 3.49Å; L16-G18 VanDerWaalsContact C-N 3.29Å; L16-G18 PolarHBondContact O-N 2.86Å
19	M	85.6	Confident	83.7	Confident	59 Å²	59	77.4 Å²	77.4	29%	0.291	41%	0.406	S	S	.	.	H	α-helix	trans	-75	-43.3	175.2	-178.1	-89.7	-77.1	0	0	112.3	S15 L16 L17 V21 C32 M36	S15-M19 PolarHBondContact O-N 3.34Å; L16-M19 PolarHBondContact O-N 3.48Å; L17-M19 VanDerWaalsContact C-N 3.29Å; L17-M19 PolarHBondContact O-N 2.85Å; M19-V21 VanDerWaalsContact C-N 3.32Å; M19-V21 PolarHBondContact O-N 3.26Å; M19-C32 HydrophobicContact CB-CB 4.16Å; M19-M36 HydrophobicContact CB-CE 4.26Å; M19-M36 HydrophobicContact CE-CE 3.99Å; M19-M36 HydrophobicContact CG-CE 4.35Å
20	L	84.2	Confident	83.4	Confident	98 Å²	98	74.7 Å²	74.7	51%	0.513	39%	0.393	S	S	.	.	H	α-helix	trans	-66.3	-33.3	179.1	-71.6	171.5	0	0	0	112.8	L16 L17 Y22	L16-L20 HydrophobicContact CD2-CD1 4.11Å; L16-L20 HydrophobicContact CG-CD1 4.18Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 3.49Å; L17-L20 PolarHBondContact O-N 3.07Å; L20-Y22 WeakPolarHBondContact O-CD2 3.48Å; L20-Y22 PolarHBondContact O-N 3.5Å
21	V	83.4	Confident	83.1	Confident	95 Å²	95	75.5 Å²	75.5	58%	0.576	40%	0.397	S	S	*	.	S	Bend	trans	-76.9	82.4	170.3	-179.5	0	0	0	0	107.4	L17 M19 R23	L17-V21 WeakPolarHBondContact O-CB 3.41Å; L17-V21 VanDerWaalsContact O-CG2 3.3Å; L17-V21 WeakPolarHBondContact O-CG2 3.3Å; L17-V21 PolarHBondContact O-N 3Å; M19-V21 VanDerWaalsContact C-N 3.32Å; M19-V21 PolarHBondContact O-N 3.26Å; V21-R23 PolarHBondContact O-N 3.35Å
22	Y	61.6	Low	82.9	Confident	194 Å²	194	74.8 Å²	74.8	76%	0.761	39%	0.389	S	S	*	.			trans	-48.3	97.8	177.1	-76.7	-81.3	0	0	0	110.9	L20	L20-Y22 WeakPolarHBondContact O-CD2 3.48Å; L20-Y22 PolarHBondContact O-N 3.5Å
23	R	61.5	Low	82.6	Confident	176 Å²	176	75 Å²	75	66%	0.664	39%	0.392	S	S	*	.			trans	-77	145.2	166.2	-75.1	-84.9	-171.7	124.6	0.8	107.5	V21 H25 S28	V21-R23 PolarHBondContact O-N 3.35Å; R23-H25 PolarHBondContact O-N 2.94Å; R23-S28 WeakPolarHBondContact CB-OG 3.28Å
24	S	62.3	Low	82.5	Confident	59 Å²	59	76.7 Å²	76.7	41%	0.413	40%	0.396	S	S	.	.	S	Bend	trans	-52.4	-22.9	179	53.2	0	0	0	0	114.4	Y89 V90	S24-Y89 WeakPolarHBondContact O-CA 3.48Å; S24-V90 PolarHBondContact O-N 3.45Å
25	H	74.3	Confident	82.4	Confident	81 Å²	81	72.8 Å²	72.8	38%	0.375	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-102	120.6	-178	-61.1	-71.7	0	0	0	112.2	R23 M27 S28 Y89	R23-H25 PolarHBondContact O-N 2.94Å; H25-M27 PolarHBondContact O-N 3.17Å; H25-S28 PolarHBondContact O-N 3.26Å; H25-S28 PolarHBondContact O-OG 2.88Å; H25-Y89 AromaticContact CE1-CE1 3.52Å; H25-Y89 AromaticContact CE1-CZ 3.93Å; H25-Y89 AromaticContact NE2-CE1 3.96Å
26	L	75.6	Confident	82.4	Confident	35 Å²	35	72.9 Å²	72.9	18%	0.183	38%	0.383	C	S	.	.	H	α-helix	trans	-62.6	-32	177.6	-151.3	143.5	0	0	0	111.9	S28 S29 L30 L78 I81 V90	L26-S28 PolarHBondContact O-N 3.47Å; L26-S29 PolarHBondContact O-N 3.01Å; L26-S29 VanDerWaalsContact O-N 3.12Å; L26-S29 PolarHBondContact O-OG 3.34Å; L26-L30 HydrophobicContact CD2-CD1 4.12Å; L26-L30 HydrophobicContact CD2-CG 4.17Å; L26-L30 PolarHBondContact O-N 3.44Å; L26-L30 VanDerWaalsContact O-N 3.09Å; L26-L78 HydrophobicContact CB-CD1 4.04Å; L26-L78 HydrophobicContact CB-CG 4.39Å; L26-L78 HydrophobicContact CD2-CB 4.14Å; L26-L78 HydrophobicContact CD2-CD1 3.68Å; L26-L78 HydrophobicContact CD2-CG 4.03Å; L26-L78 HydrophobicContact CG-CD1 4.47Å; L26-I81 HydrophobicContact CD1-CD1 3.98Å; L26-V90 HydrophobicContact CB-CG2 4.45Å; L26-V90 HydrophobicContact CD1-CG2 4.38Å
27	M	81.9	Confident	82.5	Confident	84 Å²	84	71.9 Å²	71.9	41%	0.414	38%	0.377	S	S	.	.	H	α-helix	trans	-56	-42.5	174.8	-73.6	-60.7	-68.3	0	0	113.5	H25 S29 L30 L31 L75 L78	H25-M27 PolarHBondContact O-N 3.17Å; M27-S29 VanDerWaalsContact C-N 3.3Å; M27-S29 PolarHBondContact O-N 3.34Å; M27-L30 PolarHBondContact O-N 3.2Å; M27-L31 PolarHBondContact O-N 3.01Å; M27-L31 VanDerWaalsContact O-N 3.12Å; M27-L75 HydrophobicContact SD-CD2 4.4Å; M27-L78 HydrophobicContact CB-CD1 4.49Å; M27-L78 HydrophobicContact CG-CD1 3.71Å; M27-L78 HydrophobicContact SD-CD1 3.25Å; M27-L78 WeakPolarHBondContact SD-CD1 3.42Å; M27-L78 HydrophobicContact SD-CD2 4.17Å; M27-L78 HydrophobicContact SD-CG 4.36Å
28	S	83.8	Confident	82.6	Confident	42 Å²	42	72.2 Å²	72.2	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-70.3	-30.6	179.9	60.2	0	0	0	0	111.9	R23 H25 L26 L31 C32	R23-S28 WeakPolarHBondContact CB-OG 3.28Å; H25-S28 PolarHBondContact O-N 3.26Å; H25-S28 PolarHBondContact O-OG 2.88Å; L26-S28 PolarHBondContact O-N 3.47Å; S28-L31 PolarHBondContact O-N 3.46Å; S28-C32 PolarHBondContact O-N 3.14Å; S28-C32 VanDerWaalsContact O-N 3.07Å; S28-C32 PolarHBondContact O-SG 2.63Å; S28-C32 VanDerWaalsContact O-SG 3.33Å
29	S	84.8	Confident	82.9	Confident	37 Å²	37	71 Å²	71	26%	0.259	37%	0.366	S	S	.	.	H	α-helix	trans	-67.5	-38.3	174.1	74.4	0	0	0	0	112.2	L26 M27 C32 L33	L26-S29 PolarHBondContact O-N 3.01Å; L26-S29 VanDerWaalsContact O-N 3.12Å; L26-S29 PolarHBondContact O-OG 3.34Å; M27-S29 VanDerWaalsContact C-N 3.3Å; M27-S29 PolarHBondContact O-N 3.34Å; S29-C32 PolarHBondContact O-N 2.99Å; S29-L33 PolarHBondContact O-N 3.45Å
30	L	86.6	Confident	83.2	Confident	28 Å²	28	70.8 Å²	70.8	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-42.9	174.9	-71	175.4	0	0	0	111.6	L26 M27 C32 L33 E34 L75 L78	L26-L30 HydrophobicContact CD2-CD1 4.12Å; L26-L30 HydrophobicContact CD2-CG 4.17Å; L26-L30 PolarHBondContact O-N 3.44Å; L26-L30 VanDerWaalsContact O-N 3.09Å; M27-L30 PolarHBondContact O-N 3.2Å; L30-C32 VanDerWaalsContact C-N 3.32Å; L30-C32 PolarHBondContact O-N 3.41Å; L30-L33 WeakPolarHBondContact O-CA 3.36Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.12Å; L30-L33 VanDerWaalsContact O-N 3.07Å; L30-E34 PolarHBondContact O-N 3.47Å; L30-L75 HydrophobicContact CD1-CD2 3.86Å; L30-L75 HydrophobicContact CD1-CG 4.27Å; L30-L78 HydrophobicContact CD1-CD1 3.63Å
31	L	87.1	Confident	83.6	Confident	109 Å²	109	69.2 Å²	69.2	57%	0.571	35%	0.354	S	S	*	.	H	α-helix	trans	-62.4	-38	174.9	-70.4	172.8	0	0	0	112.4	M27 S28 L33 E34 G35	M27-L31 PolarHBondContact O-N 3.01Å; M27-L31 VanDerWaalsContact O-N 3.12Å; S28-L31 PolarHBondContact O-N 3.46Å; L31-L33 VanDerWaalsContact C-N 3.3Å; L31-L33 PolarHBondContact O-N 2.97Å; L31-E34 PolarHBondContact O-N 3.5Å; L31-G35 PolarHBondContact O-N 3.27Å
32	C	89	Confident	84	Confident	33 Å²	33	67.9 Å²	67.9	22%	0.223	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-36.7	172.9	-71	0	0	0	0	111.9	M19 S28 S29 L30 G35 M36	M19-C32 HydrophobicContact CB-CB 4.16Å; S28-C32 PolarHBondContact O-N 3.14Å; S28-C32 VanDerWaalsContact O-N 3.07Å; S28-C32 PolarHBondContact O-SG 2.63Å; S28-C32 VanDerWaalsContact O-SG 3.33Å; S29-C32 PolarHBondContact O-N 2.99Å; L30-C32 VanDerWaalsContact C-N 3.32Å; L30-C32 PolarHBondContact O-N 3.41Å; C32-G35 PolarHBondContact O-N 3.32Å; C32-M36 WeakPolarHBondContact O-CG 3.44Å; C32-M36 PolarHBondContact O-N 3.09Å
33	L	88.2	Confident	85.5	Confident	58 Å²	58	60.8 Å²	60.8	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-44.1	176.2	-156.7	156.5	0	0	0	111.7	S29 L30 L31 G35 M36 M37	S29-L33 PolarHBondContact O-N 3.45Å; L30-L33 WeakPolarHBondContact O-CA 3.36Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.12Å; L30-L33 VanDerWaalsContact O-N 3.07Å; L31-L33 VanDerWaalsContact C-N 3.3Å; L31-L33 PolarHBondContact O-N 2.97Å; L33-G35 VanDerWaalsContact C-N 3.3Å; L33-G35 PolarHBondContact O-N 2.79Å; L33-M36 HydrophobicContact CB-CE 4.19Å; L33-M36 HydrophobicContact CG-CE 4.06Å; L33-M36 WeakPolarHBondContact O-CB 3.42Å; L33-M36 PolarHBondContact O-N 3.29Å; L33-M37 HydrophobicContact CD2-CG 4.08Å; L33-M37 WeakPolarHBondContact O-CG 3.37Å; L33-M37 PolarHBondContact O-N 3.1Å
34	E	89.7	Confident	86.8	Confident	96 Å²	96	53.9 Å²	53.9	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-41.2	171.8	-71.5	-176.1	168.7	0	0	112	L30 L31 M36 M37 L38	L30-E34 PolarHBondContact O-N 3.47Å; L31-E34 PolarHBondContact O-N 3.5Å; E34-M36 PolarHBondContact O-N 3.01Å; E34-M37 PolarHBondContact O-N 2.96Å; E34-L38 WeakPolarHBondContact O-CB 3.48Å; E34-L38 PolarHBondContact O-N 3.34Å
35	G	90.1	Very high	88.1	Confident	33 Å²	33	52.5 Å²	52.5	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-41.3	174.4	0	0	0	0	0	113.5	L31 C32 L33 L38 S39	L31-G35 PolarHBondContact O-N 3.27Å; C32-G35 PolarHBondContact O-N 3.32Å; L33-G35 VanDerWaalsContact C-N 3.3Å; L33-G35 PolarHBondContact O-N 2.79Å; G35-L38 PolarHBondContact O-N 3.23Å; G35-S39 PolarHBondContact O-N 2.94Å; G35-S39 VanDerWaalsContact O-N 3.07Å
36	M	92.1	Very high	88.9	Confident	18 Å²	18	50.7 Å²	50.7	9%	0.089	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-48.3	174.2	-73.1	-172.8	-67.3	0	0	111.2	F12 S15 L16 M19 C32 L33 E34 L38 S39 L40	F12-M36 HydrophobicContact CD2-CB 4.21Å; F12-M36 HydrophobicContact CD2-CG 4.28Å; F12-M36 HydrophobicContact CE2-CB 4.02Å; F12-M36 HydrophobicContact CE2-CG 4.16Å; F12-M36 HydrophobicContact CE2-SD 4.41Å; S15-M36 WeakPolarHBondContact OG-CG 3.47Å; L16-M36 HydrophobicContact CB-SD 4.06Å; L16-M36 HydrophobicContact CD1-SD 3.9Å; M19-M36 HydrophobicContact CB-CE 4.26Å; M19-M36 HydrophobicContact CE-CE 3.99Å; M19-M36 HydrophobicContact CG-CE 4.35Å; C32-M36 WeakPolarHBondContact O-CG 3.44Å; C32-M36 PolarHBondContact O-N 3.09Å; L33-M36 HydrophobicContact CB-CE 4.19Å; L33-M36 HydrophobicContact CG-CE 4.06Å; L33-M36 WeakPolarHBondContact O-CB 3.42Å; L33-M36 PolarHBondContact O-N 3.29Å; E34-M36 PolarHBondContact O-N 3.01Å; M36-L38 VanDerWaalsContact C-N 3.32Å; M36-L38 PolarHBondContact O-N 3.12Å; M36-S39 PolarHBondContact O-N 2.97Å; M36-S39 PolarHBondContact O-OG 3.36Å; M36-L40 PolarHBondContact O-N 3.45Å; M36-L40 VanDerWaalsContact O-N 3.08Å
37	M	93.4	Very high	89.4	Confident	41 Å²	41	53.5 Å²	53.5	20%	0.202	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-38.6	-179.7	-64.1	-56	-77.5	0	0	112.2	L33 E34 L40 F41 A67	L33-M37 HydrophobicContact CD2-CG 4.08Å; L33-M37 WeakPolarHBondContact O-CG 3.37Å; L33-M37 PolarHBondContact O-N 3.1Å; E34-M37 PolarHBondContact O-N 2.96Å; M37-L40 PolarHBondContact O-N 3.42Å; M37-L40 HydrophobicContact SD-CD1 4.42Å; M37-F41 WeakPolarHBondContact O-CB 3.36Å; M37-F41 PolarHBondContact O-N 3.4Å; M37-A67 HydrophobicContact CB-CB 4Å; M37-A67 HydrophobicContact CE-CB 3.27Å; M37-A67 HydrophobicContact CG-CB 3.92Å; M37-A67 HydrophobicContact SD-CB 4.43Å
38	L	91.8	Very high	89.7	Confident	109 Å²	109	50.1 Å²	50.1	57%	0.571	28%	0.278	S	S	*	.	H	α-helix	trans	-66.5	-41.4	176.9	-169.8	144.3	0	0	0	112	E34 G35 M36 L40 F41 I42	E34-L38 WeakPolarHBondContact O-CB 3.48Å; E34-L38 PolarHBondContact O-N 3.34Å; G35-L38 PolarHBondContact O-N 3.23Å; M36-L38 VanDerWaalsContact C-N 3.32Å; M36-L38 PolarHBondContact O-N 3.12Å; L38-L40 PolarHBondContact O-N 3.18Å; L38-F41 WeakPolarHBondContact O-CB 3.4Å; L38-F41 PolarHBondContact O-N 2.95Å; L38-I42 HydrophobicContact CD2-CD1 3.54Å; L38-I42 HydrophobicContact CD2-CG1 4.32Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 3.3Å
39	S	93.8	Very high	89.9	Confident	7 Å²	7	53.2 Å²	53.2	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-39	176	70.3	0	0	0	0	112.6	I8 F12 G35 M36 I42 M43	I8-S39 VanDerWaalsContact CG2-O 3.28Å; I8-S39 WeakPolarHBondContact CG2-O 3.45Å; F12-S39 WeakPolarHBondContact CD2-OG 3.25Å; G35-S39 PolarHBondContact O-N 2.94Å; G35-S39 VanDerWaalsContact O-N 3.07Å; M36-S39 PolarHBondContact O-N 2.97Å; M36-S39 PolarHBondContact O-OG 3.36Å; S39-I42 PolarHBondContact O-N 3.42Å; S39-M43 PolarHBondContact O-N 3.26Å
40	L	91.4	Very high	89.9	Confident	53 Å²	53	55.4 Å²	55.4	28%	0.277	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-40.6	173.4	-74	172.1	0	0	0	111.9	F12 M36 M37 L38 M43 A44	F12-L40 HydrophobicContact CD2-CD2 4.41Å; F12-L40 HydrophobicContact CD2-CG 4.14Å; F12-L40 HydrophobicContact CE2-CD1 4Å; F12-L40 HydrophobicContact CE2-CD2 4.25Å; F12-L40 HydrophobicContact CE2-CG 3.98Å; M36-L40 PolarHBondContact O-N 3.45Å; M36-L40 VanDerWaalsContact O-N 3.08Å; M37-L40 PolarHBondContact O-N 3.42Å; M37-L40 HydrophobicContact SD-CD1 4.42Å; L38-L40 PolarHBondContact O-N 3.18Å; L40-M43 HydrophobicContact CD2-CE 4.06Å; L40-M43 PolarHBondContact O-N 2.93Å; L40-A44 WeakPolarHBondContact O-CB 3.46Å; L40-A44 PolarHBondContact O-N 2.94Å
41	F	93.4	Very high	89.8	Confident	65 Å²	65	58.4 Å²	58.4	29%	0.285	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-47	175.7	176.2	-98.9	0	0	0	112	M37 L38 M43 A44 T45 P60 L64	M37-F41 WeakPolarHBondContact O-CB 3.36Å; M37-F41 PolarHBondContact O-N 3.4Å; L38-F41 WeakPolarHBondContact O-CB 3.4Å; L38-F41 PolarHBondContact O-N 2.95Å; F41-M43 VanDerWaalsContact C-N 3.33Å; F41-M43 PolarHBondContact O-N 3.39Å; F41-A44 PolarHBondContact O-N 2.92Å; F41-T45 HydrophobicContact CD1-CG2 4.33Å; F41-T45 HydrophobicContact CD2-CG2 4.28Å; F41-T45 HydrophobicContact CE1-CG2 3.91Å; F41-T45 HydrophobicContact CE2-CG2 3.86Å; F41-T45 HydrophobicContact CZ-CG2 3.66Å; F41-T45 WeakPolarHBondContact O-CG2 3.45Å; F41-T45 PolarHBondContact O-N 3.15Å; F41-T45 PolarHBondContact O-OG1 3.18Å; F41-P60 HydrophobicContact CD2-CB 3.72Å; F41-P60 WeakPolarHBondContact CD2-O 3.44Å; F41-P60 HydrophobicContact CE2-CB 3.57Å; F41-L64 HydrophobicContact CD2-CB 4.4Å; F41-L64 HydrophobicContact CD2-CD1 3.94Å; F41-L64 HydrophobicContact CE2-CD1 3.83Å; F41-L64 HydrophobicContact CG-CD1 4.37Å; F41-L64 HydrophobicContact CZ-CD1 4.17Å
42	I	92.6	Very high	89.5	Confident	67 Å²	67	61.5 Å²	61.5	34%	0.344	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-41	177.9	-63	172.3	0	0	0	110.6	I8 L38 S39 T45 L46	I8-I42 HydrophobicContact CD1-CB 4.48Å; I8-I42 HydrophobicContact CD1-CG2 3.62Å; I8-I42 HydrophobicContact CG1-CG2 4.26Å; L38-I42 HydrophobicContact CD2-CD1 3.54Å; L38-I42 HydrophobicContact CD2-CG1 4.32Å; L38-I42 WeakPolarHBondContact O-CG1 3.48Å; L38-I42 PolarHBondContact O-N 3.3Å; S39-I42 PolarHBondContact O-N 3.42Å; I42-T45 WeakPolarHBondContact CA-OG1 3.17Å; I42-T45 PolarHBondContact O-OG1 3.39Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-L46 WeakPolarHBondContact O-CB 3.31Å; I42-L46 VanDerWaalsContact O-CG 3.29Å; I42-L46 WeakPolarHBondContact O-CG 3.23Å; I42-L46 PolarHBondContact O-N 3.03Å
43	M	91.3	Very high	89	Confident	45 Å²	45	61.9 Å²	61.9	22%	0.222	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-45.3	177.5	-173.6	159.3	63.5	0	0	112	Y5 I8 M9 S39 L40 F41 L46 M47	Y5-M43 HydrophobicContact CD1-CG 4.1Å; Y5-M43 HydrophobicContact CE1-CG 4.16Å; I8-M43 HydrophobicContact CG2-CB 4.03Å; M9-M43 HydrophobicContact CG-SD 4.33Å; M9-M43 HydrophobicContact SD-CE 3.78Å; M9-M43 HydrophobicContact SD-SD 3.57Å; S39-M43 PolarHBondContact O-N 3.26Å; L40-M43 HydrophobicContact CD2-CE 4.06Å; L40-M43 PolarHBondContact O-N 2.93Å; F41-M43 VanDerWaalsContact C-N 3.33Å; F41-M43 PolarHBondContact O-N 3.39Å; M43-L46 PolarHBondContact O-N 3.49Å; M43-M47 WeakPolarHBondContact O-CG 3.39Å; M43-M47 PolarHBondContact O-N 3.32Å
44	A	89.6	Confident	88.4	Confident	31 Å²	31	66.6 Å²	66.6	26%	0.256	36%	0.358	S	S	.	.	H	α-helix	trans	-63.5	-46.7	179	0	0	0	0	0	111.5	L40 F41 L46 M47 T48 P60	L40-A44 WeakPolarHBondContact O-CB 3.46Å; L40-A44 PolarHBondContact O-N 2.94Å; F41-A44 PolarHBondContact O-N 2.92Å; A44-L46 PolarHBondContact O-N 3.07Å; A44-M47 PolarHBondContact O-N 3.09Å; A44-M47 VanDerWaalsContact O-N 3.16Å; A44-T48 WeakPolarHBondContact O-CG2 3.49Å; A44-T48 PolarHBondContact O-N 3.33Å; A44-P60 HydrophobicContact CB-CB 4.38Å; A44-P60 HydrophobicContact CB-CG 3.97Å
45	T	90.1	Very high	88	Confident	30 Å²	30	69.2 Å²	69.2	18%	0.184	37%	0.374	C	S	.	.	H	α-helix	trans	-62.5	-40	177.5	52	0	0	0	0	112.6	F41 I42 M47 T48 L49 P60	F41-T45 HydrophobicContact CD1-CG2 4.33Å; F41-T45 HydrophobicContact CD2-CG2 4.28Å; F41-T45 HydrophobicContact CE1-CG2 3.91Å; F41-T45 HydrophobicContact CE2-CG2 3.86Å; F41-T45 HydrophobicContact CZ-CG2 3.66Å; F41-T45 WeakPolarHBondContact O-CG2 3.45Å; F41-T45 PolarHBondContact O-N 3.15Å; F41-T45 PolarHBondContact O-OG1 3.18Å; I42-T45 WeakPolarHBondContact CA-OG1 3.17Å; I42-T45 PolarHBondContact O-OG1 3.39Å; T45-M47 VanDerWaalsContact C-N 3.31Å; T45-M47 PolarHBondContact O-N 3.44Å; T45-T48 PolarHBondContact O-N 3.33Å; T45-T48 PolarHBondContact O-OG1 3.28Å; T45-L49 WeakPolarHBondContact O-CB 3.38Å; T45-L49 WeakPolarHBondContact O-CD1 3.46Å; T45-L49 WeakPolarHBondContact O-CG 3.45Å; T45-L49 PolarHBondContact O-N 2.92Å; T45-P60 HydrophobicContact CG2-CB 3.65Å; T45-P60 HydrophobicContact CG2-CG 3.87Å
46	L	90	Very high	87.6	Confident	44 Å²	44	69 Å²	69	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-37.1	174.6	-74.6	169.6	0	0	0	112.2	I4 Y5 I8 I42 M43 A44 N50	I4-L46 HydrophobicContact CG2-CD1 3.57Å; Y5-L46 HydrophobicContact CE1-CB 3.96Å; Y5-L46 VanDerWaalsContact OH-C 3.29Å; Y5-L46 PolarHBondContact OH-O 3.25Å; I8-L46 HydrophobicContact CD1-CD1 3.33Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-L46 WeakPolarHBondContact O-CB 3.31Å; I42-L46 VanDerWaalsContact O-CG 3.29Å; I42-L46 WeakPolarHBondContact O-CG 3.23Å; I42-L46 PolarHBondContact O-N 3.03Å; M43-L46 PolarHBondContact O-N 3.49Å; A44-L46 PolarHBondContact O-N 3.07Å; L46-N50 WeakPolarHBondContact O-CB 3.48Å; L46-N50 VanDerWaalsContact O-CG 3.31Å; L46-N50 PolarHBondContact O-N 3.02Å; L46-N50 PolarHBondContact O-ND2 2.98Å; L46-N50 VanDerWaalsContact O-ND2 3.17Å
47	M	87.6	Confident	87.1	Confident	94 Å²	94	71.4 Å²	71.4	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-68	-41.7	175.7	-72.6	-63.8	-172.7	0	0	112.4	Y5 M43 A44 T45 N50 T51	Y5-M47 HydrophobicContact CD1-CE 4Å; Y5-M47 HydrophobicContact CE1-CE 3.51Å; Y5-M47 HydrophobicContact CE1-CG 3.96Å; Y5-M47 HydrophobicContact CE1-SD 3.9Å; Y5-M47 HydrophobicContact CE2-CE 4.15Å; Y5-M47 HydrophobicContact CE2-SD 4.38Å; Y5-M47 VanDerWaalsContact CZ-SD 3.59Å; Y5-M47 PolarHBondContact OH-N 3.1Å; Y5-M47 PolarHBondContact OH-SD 3Å; M43-M47 WeakPolarHBondContact O-CG 3.39Å; M43-M47 PolarHBondContact O-N 3.32Å; A44-M47 PolarHBondContact O-N 3.09Å; A44-M47 VanDerWaalsContact O-N 3.16Å; T45-M47 VanDerWaalsContact C-N 3.31Å; T45-M47 PolarHBondContact O-N 3.44Å; M47-N50 PolarHBondContact O-N 3.01Å; M47-T51 WeakPolarHBondContact O-CG2 3.36Å; M47-T51 PolarHBondContact O-N 3.42Å; M47-T51 VanDerWaalsContact O-N 3.11Å; M47-T51 PolarHBondContact O-OG1 3.49Å
48	T	88.3	Confident	86.9	Confident	12 Å²	12	74.8 Å²	74.8	7%	0.074	40%	0.4	C	S	.	.	H	α-helix	trans	-66	-40.7	177.2	60.8	0	0	0	0	111.4	A44 T45 T51 H52 S53 A56 N57 P60	A44-T48 WeakPolarHBondContact O-CG2 3.49Å; A44-T48 PolarHBondContact O-N 3.33Å; T45-T48 PolarHBondContact O-N 3.33Å; T45-T48 PolarHBondContact O-OG1 3.28Å; T48-T51 PolarHBondContact O-N 3.07Å; T48-T51 PolarHBondContact O-OG1 3.41Å; T48-H52 PolarHBondContact O-N 2.91Å; T48-S53 PolarHBondContact O-N 2.9Å; T48-A56 HydrophobicContact CG2-CB 3.69Å; T48-A56 WeakPolarHBondContact CG2-O 3.4Å; T48-N57 PolarHBondContact OG1-OD1 3.18Å; T48-P60 HydrophobicContact CG2-CG 4.21Å
49	L	86.6	Confident	86.7	Confident	107 Å²	107	73.7 Å²	73.7	56%	0.56	40%	0.398	S	S	*	.	H	α-helix	trans	-64.4	-44.9	175.8	-71.4	169.8	0	0	0	112.1	T45 T51 H52	T45-L49 WeakPolarHBondContact O-CB 3.38Å; T45-L49 WeakPolarHBondContact O-CD1 3.46Å; T45-L49 WeakPolarHBondContact O-CG 3.45Å; T45-L49 PolarHBondContact O-N 2.92Å; L49-T51 VanDerWaalsContact C-N 3.29Å; L49-T51 PolarHBondContact O-N 3.49Å; L49-H52 PolarHBondContact O-N 3.26Å
50	N	85.8	Confident	86.5	Confident	84 Å²	84	73.5 Å²	73.5	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-65.7	-30.5	179.1	-81.9	-33.4	0	0	0	113.2	Y5 L46 M47	Y5-N50 PolarHBondContact OH-ND2 3.09Å; L46-N50 WeakPolarHBondContact O-CB 3.48Å; L46-N50 VanDerWaalsContact O-CG 3.31Å; L46-N50 PolarHBondContact O-N 3.02Å; L46-N50 PolarHBondContact O-ND2 2.98Å; L46-N50 VanDerWaalsContact O-ND2 3.17Å; M47-N50 PolarHBondContact O-N 3.01Å
51	T	83.8	Confident	86.4	Confident	91 Å²	91	76 Å²	76	56%	0.558	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	0.7	179.6	55.3	0	0	0	0	113.4	M47 T48 L49 S53	M47-T51 WeakPolarHBondContact O-CG2 3.36Å; M47-T51 PolarHBondContact O-N 3.42Å; M47-T51 VanDerWaalsContact O-N 3.11Å; M47-T51 PolarHBondContact O-OG1 3.49Å; T48-T51 PolarHBondContact O-N 3.07Å; T48-T51 PolarHBondContact O-OG1 3.41Å; L49-T51 VanDerWaalsContact C-N 3.29Å; L49-T51 PolarHBondContact O-N 3.49Å; T51-S53 PolarHBondContact O-N 2.94Å; T51-S53 PolarHBondContact OG1-OG 2.9Å
52	H	81.3	Confident	86.4	Confident	173 Å²	173	74.9 Å²	74.9	80%	0.801	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	29.5	-175.4	-66.4	-71.6	0	0	0	114	T48 L49 L54	T48-H52 PolarHBondContact O-N 2.91Å; L49-H52 PolarHBondContact O-N 3.26Å; H52-L54 PolarHBondContact O-N 3.42Å
53	S	78.3	Confident	86.3	Confident	41 Å²	41	75.7 Å²	75.7	29%	0.287	42%	0.415	S	S	.	.			trans	-94.2	91.4	-175	56.6	0	0	0	0	110.7	T48 T51 L55 A56	T48-S53 PolarHBondContact O-N 2.9Å; T51-S53 PolarHBondContact O-N 2.94Å; T51-S53 PolarHBondContact OG1-OG 2.9Å; S53-L55 PolarHBondContact O-N 3.29Å; S53-A56 PolarHBondContact O-N 3.29Å; S53-A56 VanDerWaalsContact OG-CB 3.25Å; S53-A56 WeakPolarHBondContact OG-CB 3.21Å
54	L	76.4	Confident	86.3	Confident	157 Å²	157	77.8 Å²	77.8	82%	0.822	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-59	-33.9	-178.7	-69.2	168.8	0	0	0	113.3	H52 A56 N57	H52-L54 PolarHBondContact O-N 3.42Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-N57 WeakPolarHBondContact O-CB 3.39Å; L54-N57 PolarHBondContact O-N 3.49Å
55	L	80.4	Confident	86.5	Confident	152 Å²	152	80.3 Å²	80.3	80%	0.796	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-66.4	-33.7	175.9	-90.6	148.4	0	0	0	112.9	S53 N57 I58	S53-L55 PolarHBondContact O-N 3.29Å; L55-N57 PolarHBondContact O-N 3.48Å; L55-I58 PolarHBondContact O-N 3Å
56	A	82.2	Confident	86.5	Confident	29 Å²	29	85.7 Å²	85.7	24%	0.24	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-73.1	-13.9	-179.2	0	0	0	0	0	112.4	T48 S53 L54 I58 V59 P60	T48-A56 HydrophobicContact CG2-CB 3.69Å; T48-A56 WeakPolarHBondContact CG2-O 3.4Å; S53-A56 PolarHBondContact O-N 3.29Å; S53-A56 VanDerWaalsContact OG-CB 3.25Å; S53-A56 WeakPolarHBondContact OG-CB 3.21Å; L54-A56 VanDerWaalsContact C-N 3.34Å; A56-I58 PolarHBondContact O-N 3.29Å; A56-V59 WeakPolarHBondContact O-CB 3.41Å; A56-V59 PolarHBondContact O-N 2.96Å; A56-P60 WeakPolarHBondContact O-CD 3.25Å
57	N	81.6	Confident	86.6	Confident	68 Å²	68	84.3 Å²	84.3	36%	0.364	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-67	-14.8	178.1	-126.3	29.3	0	0	0	113.7	T48 L54 L55 V59 P60 I61	T48-N57 PolarHBondContact OG1-OD1 3.18Å; L54-N57 WeakPolarHBondContact O-CB 3.39Å; L54-N57 PolarHBondContact O-N 3.49Å; L55-N57 PolarHBondContact O-N 3.48Å; N57-V59 VanDerWaalsContact C-N 3.28Å; N57-P60 WeakPolarHBondContact O-CD 3.35Å; N57-I61 WeakPolarHBondContact O-CD1 3.28Å
58	I	88.1	Confident	86.7	Confident	112 Å²	112	82.5 Å²	82.5	57%	0.574	46%	0.455	S	S	*	.	H	α-helix	trans	-68.4	-31.2	171.1	-61.6	171.9	0	0	0	110.7	L55 A56 I61 A62	L55-I58 PolarHBondContact O-N 3Å; A56-I58 PolarHBondContact O-N 3.29Å; I58-I61 PolarHBondContact O-N 3.27Å; I58-A62 WeakPolarHBondContact O-CB 3.47Å; I58-A62 PolarHBondContact O-N 3.35Å
59	V	88.2	Confident	86.8	Confident	86 Å²	86	85.3 Å²	85.3	52%	0.521	47%	0.474	S	S	.	.	H	α-helix	trans	-64.5	-50.4	-174.8	178.7	0	0	0	0	112.4	A56 N57 I61 A62 M63	A56-V59 WeakPolarHBondContact O-CB 3.41Å; A56-V59 PolarHBondContact O-N 2.96Å; N57-V59 VanDerWaalsContact C-N 3.28Å; V59-I61 VanDerWaalsContact C-N 3.25Å; V59-I61 PolarHBondContact O-N 2.91Å; V59-A62 PolarHBondContact O-N 3.49Å; V59-M63 HydrophobicContact CG1-CG 4.42Å; V59-M63 WeakPolarHBondContact O-CB 3.44Å; V59-M63 VanDerWaalsContact O-CG 3.28Å; V59-M63 WeakPolarHBondContact O-CG 3.36Å; V59-M63 PolarHBondContact O-N 2.75Å
60	P	88.8	Confident	87	Confident	2 Å²	2	85.9 Å²	85.9	1%	0.013	47%	0.473	C	S	.	.	H	α-helix	trans	-58.4	-35.5	175	-23.1	30.9	0	0	0	113.7	F41 A44 T45 T48 A56 N57 L64	F41-P60 HydrophobicContact CD2-CB 3.72Å; F41-P60 WeakPolarHBondContact CD2-O 3.44Å; F41-P60 HydrophobicContact CE2-CB 3.57Å; A44-P60 HydrophobicContact CB-CB 4.38Å; A44-P60 HydrophobicContact CB-CG 3.97Å; T45-P60 HydrophobicContact CG2-CB 3.65Å; T45-P60 HydrophobicContact CG2-CG 3.87Å; T48-P60 HydrophobicContact CG2-CG 4.21Å; A56-P60 WeakPolarHBondContact O-CD 3.25Å; N57-P60 WeakPolarHBondContact O-CD 3.35Å; P60-L64 PolarHBondContact O-N 3.07Å; P60-L64 VanDerWaalsContact O-N 3.09Å
61	I	90.8	Very high	87.1	Confident	106 Å²	106	82.7 Å²	82.7	54%	0.544	46%	0.459	S	S	.	.	H	α-helix	trans	-70.2	-47.2	179.9	-59.1	168.2	0	0	0	110	N57 I58 V59 M63 L64 V65	N57-I61 WeakPolarHBondContact O-CD1 3.28Å; I58-I61 PolarHBondContact O-N 3.27Å; V59-I61 VanDerWaalsContact C-N 3.25Å; V59-I61 PolarHBondContact O-N 2.91Å; I61-M63 VanDerWaalsContact C-N 3.31Å; I61-M63 PolarHBondContact O-N 3.25Å; I61-L64 PolarHBondContact O-N 3.01Å; I61-L64 VanDerWaalsContact O-N 3.15Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 3.39Å; I61-V65 VanDerWaalsContact O-N 3.09Å
62	A	92.3	Very high	87.4	Confident	41 Å²	41	81.2 Å²	81.2	34%	0.339	46%	0.456	S	S	.	.	H	α-helix	trans	-59	-43.4	175.9	0	0	0	0	0	111.5	I58 V59 L64 V65 F66	I58-A62 WeakPolarHBondContact O-CB 3.47Å; I58-A62 PolarHBondContact O-N 3.35Å; V59-A62 PolarHBondContact O-N 3.49Å; A62-L64 VanDerWaalsContact C-N 3.31Å; A62-L64 PolarHBondContact O-N 3.42Å; A62-V65 PolarHBondContact O-N 3.08Å; A62-F66 VanDerWaalsContact O-CD2 3.22Å; A62-F66 WeakPolarHBondContact O-CD2 3.49Å; A62-F66 PolarHBondContact O-N 2.94Å; A62-F66 VanDerWaalsContact O-N 3.14Å
63	M	91.3	Very high	87.8	Confident	84 Å²	84	77.3 Å²	77.3	41%	0.414	44%	0.444	S	S	.	.	H	α-helix	trans	-56.5	-42.9	174.4	-74.9	-71	-66.8	0	0	112.4	V59 I61 F66 A67	V59-M63 HydrophobicContact CG1-CG 4.42Å; V59-M63 WeakPolarHBondContact O-CB 3.44Å; V59-M63 VanDerWaalsContact O-CG 3.28Å; V59-M63 WeakPolarHBondContact O-CG 3.36Å; V59-M63 PolarHBondContact O-N 2.75Å; I61-M63 VanDerWaalsContact C-N 3.31Å; I61-M63 PolarHBondContact O-N 3.25Å; M63-F66 PolarHBondContact O-N 3.49Å; M63-A67 WeakPolarHBondContact O-CB 3.38Å; M63-A67 PolarHBondContact O-N 2.84Å
64	L	91.1	Very high	88.3	Confident	89 Å²	89	76.1 Å²	76.1	47%	0.466	44%	0.438	S	S	.	.	H	α-helix	trans	-67.1	-38.2	-179.9	-157.8	158.7	0	0	0	111.8	F41 P60 I61 A62 A67 A68	F41-L64 HydrophobicContact CD2-CB 4.4Å; F41-L64 HydrophobicContact CD2-CD1 3.94Å; F41-L64 HydrophobicContact CE2-CD1 3.83Å; F41-L64 HydrophobicContact CG-CD1 4.37Å; F41-L64 HydrophobicContact CZ-CD1 4.17Å; P60-L64 PolarHBondContact O-N 3.07Å; P60-L64 VanDerWaalsContact O-N 3.09Å; I61-L64 PolarHBondContact O-N 3.01Å; I61-L64 VanDerWaalsContact O-N 3.15Å; A62-L64 VanDerWaalsContact C-N 3.31Å; A62-L64 PolarHBondContact O-N 3.42Å; L64-A67 WeakPolarHBondContact O-CB 3.39Å; L64-A67 PolarHBondContact O-N 3.05Å; L64-A68 PolarHBondContact O-N 2.95Å
65	V	94.2	Very high	88.8	Confident	84 Å²	84	72.3 Å²	72.3	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-47.8	176.2	176	0	0	0	0	111	I61 A62 A67 A68 C69	I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 3.39Å; I61-V65 VanDerWaalsContact O-N 3.09Å; A62-V65 PolarHBondContact O-N 3.08Å; V65-A67 VanDerWaalsContact C-N 3.32Å; V65-A67 PolarHBondContact O-N 2.83Å; V65-A68 PolarHBondContact O-N 3.3Å; V65-C69 PolarHBondContact O-N 3.36Å; V65-C69 VanDerWaalsContact O-N 3.1Å; V65-C69 PolarHBondContact O-SG 3.34Å
66	F	90.8	Very high	89.2	Confident	144 Å²	144	68.1 Å²	68.1	63%	0.632	41%	0.405	S	S	*	.	H	α-helix	trans	-62.8	-39.2	176.4	-75.8	-68.3	0	0	0	112.2	A62 M63 A68 C69 E70	A62-F66 VanDerWaalsContact O-CD2 3.22Å; A62-F66 WeakPolarHBondContact O-CD2 3.49Å; A62-F66 PolarHBondContact O-N 2.94Å; A62-F66 VanDerWaalsContact O-N 3.14Å; M63-F66 PolarHBondContact O-N 3.49Å; F66-A68 VanDerWaalsContact C-N 3.34Å; F66-A68 PolarHBondContact O-N 3.3Å; F66-C69 WeakPolarHBondContact O-CB 3.32Å; F66-C69 PolarHBondContact O-N 3.48Å; F66-E70 PolarHBondContact O-N 3.35Å
67	A	90.6	Very high	89.3	Confident	14 Å²	14	71.5 Å²	71.5	12%	0.116	42%	0.419	C	S	.	.	H	α-helix	trans	-56.3	-46.6	174.4	0	0	0	0	0	112.4	M37 M63 L64 V65 C69 E70 A71	M37-A67 HydrophobicContact CB-CB 4Å; M37-A67 HydrophobicContact CE-CB 3.27Å; M37-A67 HydrophobicContact CG-CB 3.92Å; M37-A67 HydrophobicContact SD-CB 4.43Å; M63-A67 WeakPolarHBondContact O-CB 3.38Å; M63-A67 PolarHBondContact O-N 2.84Å; L64-A67 WeakPolarHBondContact O-CB 3.39Å; L64-A67 PolarHBondContact O-N 3.05Å; V65-A67 VanDerWaalsContact C-N 3.32Å; V65-A67 PolarHBondContact O-N 2.83Å; A67-C69 VanDerWaalsContact C-N 3.32Å; A67-C69 PolarHBondContact O-N 3.46Å; A67-E70 PolarHBondContact O-N 3.43Å; A67-A71 WeakPolarHBondContact O-CB 3.18Å; A67-A71 PolarHBondContact O-N 3.44Å
68	A	90.4	Very high	89.5	Confident	57 Å²	57	68.9 Å²	68.9	47%	0.471	41%	0.405	S	S	.	.	H	α-helix	trans	-65.7	-36.3	179.6	0	0	0	0	0	111.8	L64 V65 F66 A71 A72	L64-A68 PolarHBondContact O-N 2.95Å; V65-A68 PolarHBondContact O-N 3.3Å; F66-A68 VanDerWaalsContact C-N 3.34Å; F66-A68 PolarHBondContact O-N 3.3Å; A68-A71 PolarHBondContact O-N 2.94Å; A68-A72 WeakPolarHBondContact O-CB 3.48Å; A68-A72 PolarHBondContact O-N 3.36Å
69	C	90.9	Very high	89.3	Confident	70 Å²	70	67.3 Å²	67.3	47%	0.473	40%	0.4	S	S	.	.	H	α-helix	trans	-64	-45.6	174.4	-65.1	0	0	0	0	111.9	V65 F66 A67 A72 V73	V65-C69 PolarHBondContact O-N 3.36Å; V65-C69 VanDerWaalsContact O-N 3.1Å; V65-C69 PolarHBondContact O-SG 3.34Å; F66-C69 WeakPolarHBondContact O-CB 3.32Å; F66-C69 PolarHBondContact O-N 3.48Å; A67-C69 VanDerWaalsContact C-N 3.32Å; A67-C69 PolarHBondContact O-N 3.46Å; C69-A72 PolarHBondContact O-N 3.35Å; C69-V73 WeakPolarHBondContact O-CG2 3.38Å; C69-V73 PolarHBondContact O-N 2.93Å
70	E	89	Confident	89.1	Confident	119 Å²	119	65.9 Å²	65.9	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-62.8	-42.9	176.6	-70.6	-176.1	171.4	0	0	111.8	F66 A67 A72 V73 G74	F66-E70 PolarHBondContact O-N 3.35Å; A67-E70 PolarHBondContact O-N 3.43Å; E70-A72 PolarHBondContact O-N 2.91Å; E70-V73 PolarHBondContact O-N 2.95Å; E70-G74 PolarHBondContact O-N 2.97Å
71	A	89.6	Confident	88.6	Confident	17 Å²	17	67.1 Å²	67.1	14%	0.14	40%	0.4	C	S	.	.	H	α-helix	trans	-62.8	-41.5	176.2	0	0	0	0	0	112.3	A67 A68 V73 G74 L75	A67-A71 WeakPolarHBondContact O-CB 3.18Å; A67-A71 PolarHBondContact O-N 3.44Å; A68-A71 PolarHBondContact O-N 2.94Å; A71-V73 PolarHBondContact O-N 3.38Å; A71-G74 PolarHBondContact O-N 2.94Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 3.25Å
72	A	90	Very high	88.1	Confident	60 Å²	60	63.6 Å²	63.6	50%	0.496	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-43	176.5	0	0	0	0	0	112.2	A68 C69 E70 L75 A76	A68-A72 WeakPolarHBondContact O-CB 3.48Å; A68-A72 PolarHBondContact O-N 3.36Å; C69-A72 PolarHBondContact O-N 3.35Å; E70-A72 PolarHBondContact O-N 2.91Å; A72-L75 PolarHBondContact O-N 2.96Å; A72-A76 WeakPolarHBondContact O-CB 3.28Å; A72-A76 PolarHBondContact O-N 3.05Å
73	V	89.4	Confident	87.6	Confident	92 Å²	92	67.9 Å²	67.9	56%	0.558	40%	0.402	S	S	*	.	H	α-helix	trans	-66.3	-41.5	174.9	176	0	0	0	0	110.8	C69 E70 A71 L75 A76 L77	C69-V73 WeakPolarHBondContact O-CG2 3.38Å; C69-V73 PolarHBondContact O-N 2.93Å; E70-V73 PolarHBondContact O-N 2.95Å; A71-V73 PolarHBondContact O-N 3.38Å; V73-L75 PolarHBondContact O-N 3.45Å; V73-A76 PolarHBondContact O-N 3.45Å; V73-L77 HydrophobicContact CG1-CD1 4.43Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.44Å
74	G	88.1	Confident	86.8	Confident	16 Å²	16	68.6 Å²	68.6	17%	0.165	41%	0.412	C	S	.	.	H	α-helix	trans	-60.1	-42.8	176.2	0	0	0	0	0	113.1	E70 A71 L77 L78	E70-G74 PolarHBondContact O-N 2.97Å; A71-G74 PolarHBondContact O-N 2.94Å; G74-L77 PolarHBondContact O-N 2.93Å; G74-L78 PolarHBondContact O-N 2.94Å
75	L	86.8	Confident	85.8	Confident	77 Å²	77	68.1 Å²	68.1	40%	0.403	40%	0.404	S	S	.	.	H	α-helix	trans	-67.1	-41	174.6	-73.7	167.5	0	0	0	112.1	M27 L30 A71 A72 V73 L77 L78 V79	M27-L75 HydrophobicContact SD-CD2 4.4Å; L30-L75 HydrophobicContact CD1-CD2 3.86Å; L30-L75 HydrophobicContact CD1-CG 4.27Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 3.25Å; A72-L75 PolarHBondContact O-N 2.96Å; V73-L75 PolarHBondContact O-N 3.45Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 3.16Å; L75-L78 WeakPolarHBondContact O-CB 3.29Å; L75-L78 PolarHBondContact O-N 2.95Å; L75-L78 VanDerWaalsContact O-N 3.17Å; L75-V79 WeakPolarHBondContact O-CG2 3.42Å; L75-V79 PolarHBondContact O-N 3.06Å
76	A	88.5	Confident	84.4	Confident	63 Å²	63	67 Å²	67	52%	0.521	41%	0.41	S	S	.	.	H	α-helix	trans	-60.6	-40.6	175.8	0	0	0	0	0	111.9	A72 V73 V79 S80	A72-A76 WeakPolarHBondContact O-CB 3.28Å; A72-A76 PolarHBondContact O-N 3.05Å; V73-A76 PolarHBondContact O-N 3.45Å; A76-V79 PolarHBondContact O-N 3Å; A76-S80 PolarHBondContact O-N 2.97Å; A76-S80 VanDerWaalsContact O-N 3.08Å
77	L	85	Confident	83.1	Confident	101 Å²	101	64.8 Å²	64.8	53%	0.529	40%	0.404	S	S	.	.	H	α-helix	trans	-63.9	-43.3	173.1	-73.9	172.7	0	0	0	111.8	V73 G74 L75 V79 S80 I81	V73-L77 HydrophobicContact CG1-CD1 4.43Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.44Å; G74-L77 PolarHBondContact O-N 2.93Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 3.16Å; L77-V79 VanDerWaalsContact C-N 3.33Å; L77-V79 PolarHBondContact O-N 3.45Å; L77-S80 PolarHBondContact O-N 3.01Å; L77-S80 VanDerWaalsContact O-N 3.09Å; L77-S80 PolarHBondContact O-OG 3.18Å; L77-I81 WeakPolarHBondContact O-CG1 3.32Å; L77-I81 PolarHBondContact O-N 2.94Å
78	L	84.9	Confident	81.7	Confident	12 Å²	12	66.8 Å²	66.8	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-59.1	-44.9	177.3	-163.9	159.7	0	0	0	111.6	L26 M27 L30 G74 L75 S80 I81 S82	L26-L78 HydrophobicContact CB-CD1 4.04Å; L26-L78 HydrophobicContact CB-CG 4.39Å; L26-L78 HydrophobicContact CD2-CB 4.14Å; L26-L78 HydrophobicContact CD2-CD1 3.68Å; L26-L78 HydrophobicContact CD2-CG 4.03Å; L26-L78 HydrophobicContact CG-CD1 4.47Å; M27-L78 HydrophobicContact CB-CD1 4.49Å; M27-L78 HydrophobicContact CG-CD1 3.71Å; M27-L78 HydrophobicContact SD-CD1 3.25Å; M27-L78 WeakPolarHBondContact SD-CD1 3.42Å; M27-L78 HydrophobicContact SD-CD2 4.17Å; M27-L78 HydrophobicContact SD-CG 4.36Å; L30-L78 HydrophobicContact CD1-CD1 3.63Å; G74-L78 PolarHBondContact O-N 2.94Å; L75-L78 WeakPolarHBondContact O-CB 3.29Å; L75-L78 PolarHBondContact O-N 2.95Å; L75-L78 VanDerWaalsContact O-N 3.17Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 3.43Å; L78-I81 PolarHBondContact O-N 3.23Å; L78-S82 PolarHBondContact O-N 3.04Å; L78-S82 PolarHBondContact O-OG 3.36Å
79	V	85.7	Confident	80.4	Confident	79 Å²	79	69 Å²	69	48%	0.479	41%	0.41	S	S	.	.	H	α-helix	trans	-61.3	-37.3	175.3	174.4	0	0	0	0	111.6	L75 A76 L77 S82 N83	L75-V79 WeakPolarHBondContact O-CG2 3.42Å; L75-V79 PolarHBondContact O-N 3.06Å; A76-V79 PolarHBondContact O-N 3Å; L77-V79 VanDerWaalsContact C-N 3.33Å; L77-V79 PolarHBondContact O-N 3.45Å; V79-S82 WeakPolarHBondContact CA-OG 3.06Å; V79-S82 PolarHBondContact O-OG 3.38Å; V79-N83 WeakPolarHBondContact O-CB 3.37Å; V79-N83 PolarHBondContact O-N 3.43Å; V79-N83 PolarHBondContact O-ND2 3.11Å; V79-N83 VanDerWaalsContact O-ND2 3.15Å
80	S	83	Confident	78.8	Confident	57 Å²	57	68.1 Å²	68.1	40%	0.399	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-40.7	175.7	75.5	0	0	0	0	112.4	A76 L77 L78 N83 T84	A76-S80 PolarHBondContact O-N 2.97Å; A76-S80 VanDerWaalsContact O-N 3.08Å; L77-S80 PolarHBondContact O-N 3.01Å; L77-S80 VanDerWaalsContact O-N 3.09Å; L77-S80 PolarHBondContact O-OG 3.18Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 3.43Å; S80-N83 PolarHBondContact O-N 2.92Å; S80-T84 WeakPolarHBondContact O-CG2 3.5Å; S80-T84 PolarHBondContact O-N 3.17Å; S80-T84 VanDerWaalsContact O-N 3.11Å; S80-T84 PolarHBondContact O-OG1 3.16Å
81	I	79.3	Confident	77.4	Confident	27 Å²	27	69.4 Å²	69.4	14%	0.138	41%	0.408	C	S	.	.	H	α-helix	trans	-67.9	-42.4	178.4	-65.7	164.4	0	0	0	110.5	L26 L77 L78 N83 T84 Y85 L93	L26-I81 HydrophobicContact CD1-CD1 3.98Å; L77-I81 WeakPolarHBondContact O-CG1 3.32Å; L77-I81 PolarHBondContact O-N 2.94Å; L78-I81 PolarHBondContact O-N 3.23Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 2.84Å; I81-T84 PolarHBondContact O-N 2.83Å; I81-T84 PolarHBondContact O-OG1 3.46Å; I81-T84 VanDerWaalsContact O-OG1 3.1Å; I81-Y85 HydrophobicContact CG2-CD2 4.09Å; I81-Y85 PolarHBondContact O-N 3.34Å; I81-L93 HydrophobicContact CD1-CD1 4.37Å
82	S	80.3	Confident	75.8	Confident	32 Å²	32	72 Å²	72	22%	0.224	42%	0.419	C	S	.	.	H	α-helix	trans	-65.9	-36.4	177.9	71.7	0	0	0	0	111.6	L78 V79 G86 D88	L78-S82 PolarHBondContact O-N 3.04Å; L78-S82 PolarHBondContact O-OG 3.36Å; V79-S82 WeakPolarHBondContact CA-OG 3.06Å; V79-S82 PolarHBondContact O-OG 3.38Å; S82-G86 WeakPolarHBondContact O-CA 3.49Å; S82-G86 PolarHBondContact O-N 3.31Å; S82-D88 VanDerWaalsContact CB-OD1 3.29Å; S82-D88 WeakPolarHBondContact CB-OD1 3.32Å
83	N	80.5	Confident	74.4	Confident	131 Å²	131	72 Å²	72	70%	0.701	41%	0.411	S	S	*	.	H	α-helix	trans	-68.2	-33.4	174.2	-75	-27.4	0	0	0	113.4	V79 S80 I81	V79-N83 WeakPolarHBondContact O-CB 3.37Å; V79-N83 PolarHBondContact O-N 3.43Å; V79-N83 PolarHBondContact O-ND2 3.11Å; V79-N83 VanDerWaalsContact O-ND2 3.15Å; S80-N83 PolarHBondContact O-N 2.92Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 2.84Å
84	T	75.6	Confident	73	Confident	100 Å²	100	71.9 Å²	71.9	61%	0.613	41%	0.407	S	S	*	.	H	α-helix	trans	-84.6	-35	-179.8	54.2	0	0	0	0	113.6	S80 I81	S80-T84 WeakPolarHBondContact O-CG2 3.5Å; S80-T84 PolarHBondContact O-N 3.17Å; S80-T84 VanDerWaalsContact O-N 3.11Å; S80-T84 PolarHBondContact O-OG1 3.16Å; I81-T84 PolarHBondContact O-N 2.83Å; I81-T84 PolarHBondContact O-OG1 3.46Å; I81-T84 VanDerWaalsContact O-OG1 3.1Å
85	Y	69.1	Low	71.6	Confident	78 Å²	78	77.7 Å²	77.7	31%	0.306	43%	0.434	S	S	.	.	H	α-helix	trans	-112.5	-5.5	-172.9	-67.2	-74.5	0	0	0	114.3	I81 L87 N92 L93 L95	I81-Y85 HydrophobicContact CG2-CD2 4.09Å; I81-Y85 PolarHBondContact O-N 3.34Å; Y85-L87 PolarHBondContact O-N 3.06Å; Y85-N92 HydrophobicContact CD1-CB 3.71Å; Y85-N92 HydrophobicContact CE1-CB 4.17Å; Y85-N92 HydrophobicContact CG-CB 3.91Å; Y85-L93 HydrophobicContact CE2-CD2 4.05Å; Y85-L95 HydrophobicContact CE1-CD1 4.34Å
86	G	65.8	Low	70.3	Confident	61 Å²	61	81.4 Å²	81.4	63%	0.629	45%	0.453	S	S	*	.	S	Bend	trans	68.2	-8.9	179.7	0	0	0	0	0	115.3	S82	S82-G86 WeakPolarHBondContact O-CA 3.49Å; S82-G86 PolarHBondContact O-N 3.31Å
87	L	63.1	Low	68.6	Low	98 Å²	98	85.9 Å²	85.9	51%	0.513	46%	0.463	S	S	.	.	S	Bend	trans	-144.3	138	-175.7	-64.7	170.6	0	0	0	110.4	Y85 Y89	Y85-L87 PolarHBondContact O-N 3.06Å; L87-Y89 HydrophobicContact CB-CD2 3.69Å; L87-Y89 HydrophobicContact CB-CE2 4.2Å; L87-Y89 HydrophobicContact CD1-CD2 4.09Å; L87-Y89 HydrophobicContact CD1-CE2 4.18Å; L87-Y89 HydrophobicContact CD2-CE2 4.48Å; L87-Y89 HydrophobicContact CG-CD2 4.4Å; L87-Y89 PolarHBondContact O-N 3.39Å
88	D	61.5	Low	66.7	Low	56 Å²	56	89.5 Å²	89.5	30%	0.299	50%	0.497	S	S	.	.			trans	-74.1	24.9	-176.2	-58.5	-27	0	0	0	114.6	S82	S82-D88 VanDerWaalsContact CB-OD1 3.29Å; S82-D88 WeakPolarHBondContact CB-OD1 3.32Å
89	Y	61.4	Low	65.8	Low	102 Å²	102	93.4 Å²	93.4	40%	0.4	52%	0.519	S	S	.	.	B	Isolated β-bridge	trans	-85.4	121	-175.5	-70.8	-60.8	0	0	0	111.7	S24 H25 L87 H91 N92	S24-Y89 WeakPolarHBondContact O-CA 3.48Å; H25-Y89 AromaticContact CE1-CE1 3.52Å; H25-Y89 AromaticContact CE1-CZ 3.93Å; H25-Y89 AromaticContact NE2-CE1 3.96Å; L87-Y89 HydrophobicContact CB-CD2 3.69Å; L87-Y89 HydrophobicContact CB-CE2 4.2Å; L87-Y89 HydrophobicContact CD1-CD2 4.09Å; L87-Y89 HydrophobicContact CD1-CE2 4.18Å; L87-Y89 HydrophobicContact CD2-CE2 4.48Å; L87-Y89 HydrophobicContact CG-CD2 4.4Å; L87-Y89 PolarHBondContact O-N 3.39Å; Y89-H91 PolarHBondContact O-N 3.44Å; Y89-H91 VanDerWaalsContact O-N 3.09Å; Y89-N92 PolarHBondContact O-N 3.31Å
90	V	59.3	Low	64.8	Low	53 Å²	53	94.1 Å²	94.1	32%	0.321	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-56.8	-26.9	174.7	-178.2	0	0	0	0	112	S24 L26 N92 L93	S24-V90 PolarHBondContact O-N 3.45Å; L26-V90 HydrophobicContact CB-CG2 4.45Å; L26-V90 HydrophobicContact CD1-CG2 4.38Å; V90-N92 VanDerWaalsContact C-N 3.25Å; V90-N92 PolarHBondContact O-N 3.28Å; V90-L93 PolarHBondContact O-N 3.1Å
91	H	58	Low	63.8	Low	145 Å²	145	96.2 Å²	96.2	67%	0.671	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-67.9	-18.3	-177.2	-148.7	-40.2	0	0	0	114.4	Y89 L93	Y89-H91 PolarHBondContact O-N 3.44Å; Y89-H91 VanDerWaalsContact O-N 3.09Å; H91-L93 VanDerWaalsContact C-N 3.29Å; H91-L93 PolarHBondContact O-N 3.25Å
92	N	56.8	Low	62.8	Low	71 Å²	71	100.2 Å²	100.2	38%	0.38	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-78	-10.5	177.1	-92.5	4.1	0	0	0	113.6	Y85 Y89 V90 N94	Y85-N92 HydrophobicContact CD1-CB 3.71Å; Y85-N92 HydrophobicContact CE1-CB 4.17Å; Y85-N92 HydrophobicContact CG-CB 3.91Å; Y89-N92 PolarHBondContact O-N 3.31Å; V90-N92 VanDerWaalsContact C-N 3.25Å; V90-N92 PolarHBondContact O-N 3.28Å; N92-N94 PolarHBondContact O-N 3.32Å
93	L	59.5	Low	61.8	Low	62 Å²	62	104.5 Å²	104.5	33%	0.325	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-79.8	7.6	178.2	-65.6	169.1	0	0	0	113.8	I81 Y85 V90 H91 L95 L96	I81-L93 HydrophobicContact CD1-CD1 4.37Å; Y85-L93 HydrophobicContact CE2-CD2 4.05Å; V90-L93 PolarHBondContact O-N 3.1Å; H91-L93 VanDerWaalsContact C-N 3.29Å; H91-L93 PolarHBondContact O-N 3.25Å; L93-L95 PolarHBondContact O-N 3.26Å; L93-L96 PolarHBondContact O-N 3.2Å
94	N	60.4	Low	60.5	Low	88 Å²	88	102.7 Å²	102.7	47%	0.471	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-65.1	-4	179.2	-84.8	7.4	0	0	0	114.9	N92 L96 Q97	N92-N94 PolarHBondContact O-N 3.32Å; N94-L96 PolarHBondContact O-N 2.97Å; N94-Q97 WeakPolarHBondContact O-CB 3.36Å; N94-Q97 PolarHBondContact O-N 3Å
95	L	58.7	Low	59.4	Low	139 Å²	139	102.9 Å²	102.9	73%	0.728	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-67.3	-18.3	174.4	-75.1	172.2	0	0	0	113.8	Y85 L93 Q97	Y85-L95 HydrophobicContact CE1-CD1 4.34Å; L93-L95 PolarHBondContact O-N 3.26Å; L95-Q97 VanDerWaalsContact C-N 3.32Å
96	L	60.5	Low	58.7	Low	154 Å²	154	104.8 Å²	104.8	81%	0.806	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-88.6	4.4	175.1	-72.9	165.5	0	0	0	113.4	L93 N94 S98	L93-L96 PolarHBondContact O-N 3.2Å; N94-L96 PolarHBondContact O-N 2.97Å; L96-S98 PolarHBondContact O-N 3.37Å
97	Q	52.8	Low	58.1	Low	158 Å²	158	108.5 Å²	108.5	74%	0.738	57%	0.574	S	S	*	*			trans	-79.5	58.8	170.3	-165.1	175.9	-3.4	0	0	110	N94 L95	N94-Q97 WeakPolarHBondContact O-CB 3.36Å; N94-Q97 PolarHBondContact O-N 3Å; L95-Q97 VanDerWaalsContact C-N 3.32Å
98	S	45	Very low	57.6	Low	176 Å²	176	109.5 Å²	109.5	100%	1.231	58%	0.579	S	S	*	*			trans	-93.9	0	165.3	64.7	0	0	0	0	110	L96	L96-S98 PolarHBondContact O-N 3.37Å

Retrieved 98 of 98 residues in 172.5 ms (Link to these results)

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