A0A059RIA0_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 6

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 and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A059RIA0, Species HUMAN (Homo sapiens, Human), Gene ND6, Length 174 aa.

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	51.8	Low	77.9	Confident	228 Å²	228	92.5 Å²	92.5	100%	1.123	49%	0.487	S	S	*	.				0	-32.2	0	-73.5	-157.6	-178.2	0	0	113.6	Y3 A4	M1-Y3 VanDerWaalsContact C-N 3.26Å; M1-Y3 PolarHBondContact O-N 3.2Å; M1-Y3 VanDerWaalsContact O-N 3.16Å; M1-A4 WeakPolarHBondContact O-CB 3.3Å; M1-A4 PolarHBondContact O-N 3.45Å
2	M	57	Low	78.9	Confident	166 Å²	166	87.8 Å²	87.8	82%	0.818	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.8	-177.7	-167.1	175.1	-77.8	0	0	115.9
3	Y	71.9	Confident	79.8	Confident	165 Å²	165	86.1 Å²	86.1	65%	0.647	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	3.4	179.5	-60.4	-74.7	0	0	0	114.6	M1 L5 F6 L7	M1-Y3 VanDerWaalsContact C-N 3.26Å; M1-Y3 PolarHBondContact O-N 3.2Å; M1-Y3 VanDerWaalsContact O-N 3.16Å; Y3-L5 PolarHBondContact O-N 2.94Å; Y3-F6 PolarHBondContact O-N 3.35Å; Y3-L7 WeakPolarHBondContact O-CG 3.23Å; Y3-L7 PolarHBondContact O-N 2.89Å
4	A	78.3	Confident	80.4	Confident	53 Å²	53	86 Å²	86	44%	0.438	46%	0.455	S	S	.	.	H	α-helix	trans	-61.7	-45.7	-173.4	0	0	0	0	0	112.3	M1 L7 L8	M1-A4 WeakPolarHBondContact O-CB 3.3Å; M1-A4 PolarHBondContact O-N 3.45Å; A4-L7 PolarHBondContact O-N 3.42Å; A4-L8 WeakPolarHBondContact O-CG 3.47Å; A4-L8 PolarHBondContact O-N 2.98Å
5	L	81.8	Confident	81	Confident	25 Å²	25	81 Å²	81	13%	0.131	43%	0.432	C	S	.	.	H	α-helix	trans	-71.2	-33.3	177.5	-69.5	169.7	0	0	0	112.9	Y3 L8 S9 N45 F46 Y127	Y3-L5 PolarHBondContact O-N 2.94Å; L5-L8 HydrophobicContact CD2-CD1 4.13Å; L5-L8 PolarHBondContact O-N 3.44Å; L5-S9 WeakPolarHBondContact O-CB 3.37Å; L5-S9 PolarHBondContact O-N 3.23Å; L5-S9 PolarHBondContact O-OG 3.42Å; L5-N45 HydrophobicContact CD2-CB 3.51Å; L5-N45 HydrophobicContact CG-CB 4.46Å; L5-F46 HydrophobicContact CD1-CE1 3.95Å; L5-F46 HydrophobicContact CD1-CZ 3.89Å; L5-Y127 WeakPolarHBondContact CD1-OH 3.46Å
6	F	82.1	Confident	81.5	Confident	87 Å²	87	82.5 Å²	82.5	38%	0.382	43%	0.434	S	S	.	.	H	α-helix	trans	-64.5	-42	174	179.1	-100.8	0	0	0	111.7	Y3 L8 S9 V10 V103	Y3-F6 PolarHBondContact O-N 3.35Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-S9 WeakPolarHBondContact CA-OG 3.45Å; F6-S9 PolarHBondContact O-N 3.39Å; F6-S9 PolarHBondContact O-OG 3.04Å; F6-V10 HydrophobicContact CD1-CG2 4.45Å; F6-V10 HydrophobicContact CE1-CG2 4.06Å; F6-V10 HydrophobicContact CE2-CG2 4.45Å; F6-V10 HydrophobicContact CZ-CG2 4.06Å; F6-V10 VanDerWaalsContact O-CG2 3.29Å; F6-V10 WeakPolarHBondContact O-CG2 3.31Å; F6-V10 PolarHBondContact O-N 2.91Å; F6-V103 HydrophobicContact CZ-CG1 4.05Å; F6-V103 HydrophobicContact CZ-CG2 4.04Å
7	L	85.3	Confident	81.9	Confident	119 Å²	119	79 Å²	79	62%	0.623	42%	0.416	S	S	*	.	H	α-helix	trans	-66.1	-38.1	174.6	-70	173.9	0	0	0	111.9	Y3 A4 V10 G11	Y3-L7 WeakPolarHBondContact O-CG 3.23Å; Y3-L7 PolarHBondContact O-N 2.89Å; A4-L7 PolarHBondContact O-N 3.42Å; L7-V10 PolarHBondContact O-N 3.08Å; L7-G11 PolarHBondContact O-N 2.99Å
8	L	86.1	Confident	82.1	Confident	48 Å²	48	74.8 Å²	74.8	25%	0.251	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-40.8	174.3	-74	165.9	0	0	0	111.9	A4 L5 F6 G11 L12 V38 V41 I42	A4-L8 WeakPolarHBondContact O-CG 3.47Å; A4-L8 PolarHBondContact O-N 2.98Å; L5-L8 HydrophobicContact CD2-CD1 4.13Å; L5-L8 PolarHBondContact O-N 3.44Å; F6-L8 VanDerWaalsContact C-N 3.35Å; L8-G11 PolarHBondContact O-N 3.38Å; L8-L12 PolarHBondContact O-N 2.95Å; L8-V38 HydrophobicContact CB-CG1 4.38Å; L8-V38 HydrophobicContact CD2-CG1 4.09Å; L8-V38 VanDerWaalsContact O-CG1 3.27Å; L8-V38 WeakPolarHBondContact O-CG1 3.21Å; L8-V41 HydrophobicContact CD1-CG1 3.92Å; L8-V41 HydrophobicContact CD2-CG1 4.24Å; L8-I42 HydrophobicContact CB-CD1 4.13Å; L8-I42 HydrophobicContact CB-CG1 3.75Å; L8-I42 HydrophobicContact CD1-CG1 4.46Å
9	S	85.1	Confident	82.3	Confident	49 Å²	49	75.5 Å²	75.5	34%	0.343	40%	0.395	S	S	.	.	H	α-helix	trans	-66.6	-41.1	177.3	65.2	0	0	0	0	111.4	L5 F6 G11 L12 V13	L5-S9 WeakPolarHBondContact O-CB 3.37Å; L5-S9 PolarHBondContact O-N 3.23Å; L5-S9 PolarHBondContact O-OG 3.42Å; F6-S9 WeakPolarHBondContact CA-OG 3.45Å; F6-S9 PolarHBondContact O-N 3.39Å; F6-S9 PolarHBondContact O-OG 3.04Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.39Å; S9-L12 WeakPolarHBondContact O-CB 3.26Å; S9-L12 PolarHBondContact O-N 3.29Å; S9-L12 VanDerWaalsContact O-N 3.13Å; S9-V13 WeakPolarHBondContact O-CG2 3.4Å; S9-V13 PolarHBondContact O-N 3.37Å; S9-V13 VanDerWaalsContact O-N 3.07Å
10	V	87.8	Confident	82.5	Confident	45 Å²	45	75.6 Å²	75.6	27%	0.273	40%	0.402	S	S	.	.	H	α-helix	trans	-58.7	-45.2	170.7	173.5	0	0	0	0	110.7	F6 L7 L12 V13 M14	F6-V10 HydrophobicContact CD1-CG2 4.45Å; F6-V10 HydrophobicContact CE1-CG2 4.06Å; F6-V10 HydrophobicContact CE2-CG2 4.45Å; F6-V10 HydrophobicContact CZ-CG2 4.06Å; F6-V10 VanDerWaalsContact O-CG2 3.29Å; F6-V10 WeakPolarHBondContact O-CG2 3.31Å; F6-V10 PolarHBondContact O-N 2.91Å; L7-V10 PolarHBondContact O-N 3.08Å; V10-L12 PolarHBondContact O-N 3.3Å; V10-V13 PolarHBondContact O-N 3.04Å; V10-V13 VanDerWaalsContact O-N 3.14Å; V10-M14 HydrophobicContact CG1-CG 4.44Å; V10-M14 VanDerWaalsContact O-CG 3.31Å; V10-M14 WeakPolarHBondContact O-CG 3.43Å; V10-M14 PolarHBondContact O-N 3.07Å
11	G	89.1	Confident	82.6	Confident	32 Å²	32	72.4 Å²	72.4	33%	0.33	39%	0.386	S	S	.	.	H	α-helix	trans	-59.5	-31.6	175.3	0	0	0	0	0	114	L7 L8 S9 G15	L7-G11 PolarHBondContact O-N 2.99Å; L8-G11 PolarHBondContact O-N 3.38Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.39Å; G11-G15 PolarHBondContact O-N 3.28Å
12	L	90.9	Very high	84	Confident	37 Å²	37	69.3 Å²	69.3	19%	0.194	37%	0.366	C	S	.	.	H	α-helix	trans	-71.1	-42.6	174.7	-176.1	153.5	0	0	0	111.7	L8 S9 V10 M14 G15 F16 V38 I42	L8-L12 PolarHBondContact O-N 2.95Å; S9-L12 WeakPolarHBondContact O-CB 3.26Å; S9-L12 PolarHBondContact O-N 3.29Å; S9-L12 VanDerWaalsContact O-N 3.13Å; V10-L12 PolarHBondContact O-N 3.3Å; L12-M14 VanDerWaalsContact C-N 3.34Å; L12-G15 PolarHBondContact O-N 3.09Å; L12-F16 HydrophobicContact CD2-CD2 3.69Å; L12-F16 HydrophobicContact CD2-CE2 3.21Å; L12-F16 HydrophobicContact CD2-CZ 3.74Å; L12-F16 HydrophobicContact CG-CE2 4.27Å; L12-F16 HydrophobicContact CG-CZ 4.38Å; L12-F16 PolarHBondContact O-N 3.16Å; L12-F16 VanDerWaalsContact O-N 3.11Å; L12-V38 HydrophobicContact CB-CG1 4.14Å; L12-I42 HydrophobicContact CB-CD1 4.32Å; L12-I42 HydrophobicContact CD1-CD1 3.82Å
13	V	90.1	Very high	84.9	Confident	65 Å²	65	61.8 Å²	61.8	39%	0.394	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-42.8	175.4	-167.6	0	0	0	0	110.5	S9 V10 G15 F16 V17 E99	S9-V13 WeakPolarHBondContact O-CG2 3.4Å; S9-V13 PolarHBondContact O-N 3.37Å; S9-V13 VanDerWaalsContact O-N 3.07Å; V10-V13 PolarHBondContact O-N 3.04Å; V10-V13 VanDerWaalsContact O-N 3.14Å; V13-G15 PolarHBondContact O-N 3.39Å; V13-F16 CarbonylContact O-C 3.07Å; V13-F16 WeakPolarHBondContact O-CA 3.39Å; V13-F16 PolarHBondContact O-N 2.92Å; V13-V17 HydrophobicContact CG1-CG2 4.48Å; V13-V17 WeakPolarHBondContact O-CG2 3.39Å; V13-V17 PolarHBondContact O-N 3.24Å; V13-E99 HydrophobicContact CB-CG 4.4Å; V13-E99 WeakPolarHBondContact CB-OE1 3.32Å; V13-E99 HydrophobicContact CG1-CG 3.81Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.47Å
14	M	88.2	Confident	85.5	Confident	85 Å²	85	54.7 Å²	54.7	42%	0.419	30%	0.304	S	S	.	.	H	α-helix	trans	-54.7	-40	173.9	-72.5	-72.5	-57.4	0	0	112.3	V10 L12 V17 G18 L96 E99	V10-M14 HydrophobicContact CG1-CG 4.44Å; V10-M14 VanDerWaalsContact O-CG 3.31Å; V10-M14 WeakPolarHBondContact O-CG 3.43Å; V10-M14 PolarHBondContact O-N 3.07Å; L12-M14 VanDerWaalsContact C-N 3.34Å; M14-V17 PolarHBondContact O-N 3.44Å; M14-G18 PolarHBondContact O-N 2.86Å; M14-L96 HydrophobicContact CE-CD2 3.49Å; M14-L96 VanDerWaalsContact CE-CD2 3.49Å; M14-L96 HydrophobicContact SD-CD2 3.23Å; M14-L96 WeakPolarHBondContact SD-CD2 3.28Å; M14-E99 WeakPolarHBondContact CG-OE2 3.28Å; M14-E99 PolarHBondContact N-OE1 2.9Å
15	G	89.6	Confident	85.9	Confident	11 Å²	11	55.6 Å²	55.6	11%	0.113	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-44.4	173.2	0	0	0	0	0	112.5	G11 L12 V13 V17 G18 F19 V31	G11-G15 PolarHBondContact O-N 3.28Å; L12-G15 PolarHBondContact O-N 3.09Å; V13-G15 PolarHBondContact O-N 3.39Å; G15-V17 PolarHBondContact O-N 3.41Å; G15-G18 PolarHBondContact O-N 3.28Å; G15-F19 PolarHBondContact O-N 3.35Å; G15-V31 WeakPolarHBondContact O-CG1 3.35Å
16	F	88.2	Confident	86.1	Confident	105 Å²	105	58 Å²	58	46%	0.461	32%	0.318	S	S	.	.	H	α-helix	trans	-67	-36.2	176.9	-67	-24.9	0	0	0	113.5	L12 V13 G18 F19 S20	L12-F16 HydrophobicContact CD2-CD2 3.69Å; L12-F16 HydrophobicContact CD2-CE2 3.21Å; L12-F16 HydrophobicContact CD2-CZ 3.74Å; L12-F16 HydrophobicContact CG-CE2 4.27Å; L12-F16 HydrophobicContact CG-CZ 4.38Å; L12-F16 PolarHBondContact O-N 3.16Å; L12-F16 VanDerWaalsContact O-N 3.11Å; V13-F16 CarbonylContact O-C 3.07Å; V13-F16 WeakPolarHBondContact O-CA 3.39Å; V13-F16 PolarHBondContact O-N 2.92Å; F16-G18 VanDerWaalsContact C-N 3.3Å; F16-G18 PolarHBondContact O-N 3.46Å; F16-F19 PolarHBondContact O-N 3.28Å; F16-S20 WeakPolarHBondContact O-CB 3.39Å; F16-S20 PolarHBondContact O-N 2.99Å
17	V	89.7	Confident	86.3	Confident	23 Å²	23	57.9 Å²	57.9	14%	0.139	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-43.7	171.1	174	0	0	0	0	110.2	V13 M14 G15 F19 S20 S21 E99	V13-V17 HydrophobicContact CG1-CG2 4.48Å; V13-V17 WeakPolarHBondContact O-CG2 3.39Å; V13-V17 PolarHBondContact O-N 3.24Å; M14-V17 PolarHBondContact O-N 3.44Å; G15-V17 PolarHBondContact O-N 3.41Å; V17-F19 PolarHBondContact O-N 3.32Å; V17-S20 PolarHBondContact O-N 2.81Å; V17-S21 PolarHBondContact O-N 2.96Å; V17-S21 VanDerWaalsContact O-N 3.14Å; V17-S21 PolarHBondContact O-OG 2.94Å; V17-E99 VanDerWaalsContact CG2-OE1 3.29Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.33Å
18	G	85.1	Confident	86.4	Confident	4 Å²	4	52.2 Å²	52.2	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-35.4	180	0	0	0	0	0	114.7	M14 G15 F16 S21 P23	M14-G18 PolarHBondContact O-N 2.86Å; G15-G18 PolarHBondContact O-N 3.28Å; F16-G18 VanDerWaalsContact C-N 3.3Å; F16-G18 PolarHBondContact O-N 3.46Å; G18-S21 PolarHBondContact O-OG 2.73Å; G18-P23 WeakPolarHBondContact O-CD 3.34Å; G18-P23 WeakPolarHBondContact O-CG 3.21Å
19	F	85.3	Confident	86.5	Confident	88 Å²	88	50.3 Å²	50.3	39%	0.386	28%	0.278	S	S	.	.	H	α-helix	trans	-82.2	-38.1	174.1	159.6	-101.3	0	0	0	112.4	G15 F16 V17 S21 K22 P23 V31 L32	G15-F19 PolarHBondContact O-N 3.35Å; F16-F19 PolarHBondContact O-N 3.28Å; V17-F19 PolarHBondContact O-N 3.32Å; F19-S21 PolarHBondContact O-N 2.89Å; F19-K22 PolarHBondContact O-N 3.46Å; F19-K22 VanDerWaalsContact O-N 3.09Å; F19-P23 WeakPolarHBondContact O-CD 3.49Å; F19-V31 HydrophobicContact CB-CB 4.49Å; F19-V31 HydrophobicContact CB-CG1 4.36Å; F19-L32 HydrophobicContact CB-CD2 4.06Å; F19-L32 HydrophobicContact CB-CG 4.2Å; F19-L32 HydrophobicContact CD1-CD2 3.88Å; F19-L32 HydrophobicContact CD1-CG 4.44Å; F19-L32 HydrophobicContact CD2-CD1 3.8Å; F19-L32 HydrophobicContact CD2-CD2 4.23Å; F19-L32 HydrophobicContact CD2-CG 3.89Å; F19-L32 HydrophobicContact CE1-CD2 4.42Å; F19-L32 HydrophobicContact CE2-CD1 3.83Å; F19-L32 HydrophobicContact CE2-CG 4.41Å; F19-L32 HydrophobicContact CG-CD1 4.21Å; F19-L32 HydrophobicContact CG-CD2 3.77Å; F19-L32 HydrophobicContact CG-CG 3.9Å; F19-L32 HydrophobicContact CZ-CD1 4.25Å
20	S	87.4	Confident	86.6	Confident	77 Å²	77	52.8 Å²	52.8	54%	0.538	29%	0.287	S	S	.	.	H	α-helix	trans	-70.7	-19.6	-176.3	-176.3	0	0	0	0	113.6	F16 V17 K22	F16-S20 WeakPolarHBondContact O-CB 3.39Å; F16-S20 PolarHBondContact O-N 2.99Å; V17-S20 PolarHBondContact O-N 2.81Å; S20-K22 PolarHBondContact O-N 3.3Å; S20-K22 VanDerWaalsContact O-N 3.11Å
21	S	83.8	Confident	86.8	Confident	8 Å²	8	51.4 Å²	51.4	6%	0.056	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-0.3	170.6	58.8	0	0	0	0	113.2	V17 G18 F19 S91	V17-S21 PolarHBondContact O-N 2.96Å; V17-S21 VanDerWaalsContact O-N 3.14Å; V17-S21 PolarHBondContact O-OG 2.94Å; G18-S21 PolarHBondContact O-OG 2.73Å; F19-S21 PolarHBondContact O-N 2.89Å; S21-S91 WeakPolarHBondContact CA-OG 3.1Å; S21-S91 WeakPolarHBondContact CB-OG 3.29Å
22	K	82.1	Confident	86.9	Confident	163 Å²	163	50.7 Å²	50.7	71%	0.709	27%	0.267	S	S	*	.			trans	53.8	50.4	179.3	-56.2	-176.7	-175	68.7	0	112.7	F19 S20	F19-K22 PolarHBondContact O-N 3.46Å; F19-K22 VanDerWaalsContact O-N 3.09Å; S20-K22 PolarHBondContact O-N 3.3Å; S20-K22 VanDerWaalsContact O-N 3.11Å
23	P	75.9	Confident	87.1	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.058	28%	0.276	C	S	.	.			trans	-62.8	161.8	162.1	34.5	-35	0	0	0	108.5	G18 F19	G18-P23 WeakPolarHBondContact O-CD 3.34Å; G18-P23 WeakPolarHBondContact O-CG 3.21Å; F19-P23 WeakPolarHBondContact O-CD 3.49Å
24	S	83.9	Confident	87.2	Confident	16 Å²	16	53.9 Å²	53.9	11%	0.112	29%	0.285	C	S	.	.			trans	-48.7	147.8	178.7	58	0	0	0	0	112.3	I26 Y27 G28 E80	S24-I26 PolarHBondContact O-N 3.09Å; S24-Y27 PolarHBondContact O-N 3.42Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.26Å; S24-G28 PolarHBondContact O-N 2.9Å; S24-G28 VanDerWaalsContact O-N 3.08Å; S24-E80 PolarHBondContact OG-O 2.99Å
25	P	85.9	Confident	87.4	Confident	72 Å²	72	50.1 Å²	50.1	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-54.7	-26.3	-168.3	-29.5	35.6	0	0	0	115.5	G29 F67 T71	P25-G29 PolarHBondContact O-N 3.25Å; P25-F67 HydrophobicContact CB-CZ 4.02Å; P25-F67 WeakPolarHBondContact O-CE1 3.31Å; P25-T71 HydrophobicContact CB-CG2 3.37Å; P25-T71 HydrophobicContact CG-CG2 4.42Å
26	I	85.8	Confident	87.6	Confident	76 Å²	76	50 Å²	50	39%	0.39	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-49.9	176	-58.3	172.8	0	0	0	110.8	S24 G29 L30 I75	S24-I26 PolarHBondContact O-N 3.09Å; I26-G29 PolarHBondContact O-N 2.97Å; I26-L30 PolarHBondContact O-N 3.24Å; I26-I75 HydrophobicContact CD1-CD1 4.21Å; I26-I75 HydrophobicContact CD1-CG1 4.31Å
27	Y	86.7	Confident	87.9	Confident	83 Å²	83	48 Å²	48	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-68.9	-39.4	177.5	-68.4	-59.6	0	0	0	111.5	S24 G29 L30 V31 E80 W82	S24-Y27 PolarHBondContact O-N 3.42Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.26Å; Y27-G29 VanDerWaalsContact C-N 3.26Å; Y27-G29 PolarHBondContact O-N 2.91Å; Y27-L30 HydrophobicContact CD1-CD1 4.36Å; Y27-L30 PolarHBondContact O-N 2.95Å; Y27-V31 WeakPolarHBondContact O-CG2 3.45Å; Y27-V31 PolarHBondContact O-N 3.35Å; Y27-E80 WeakPolarHBondContact CD2-O 3.45Å; Y27-W82 AromaticContact CD1-CD1 3.95Å; Y27-W82 AromaticContact CD1-NE1 3.57Å; Y27-W82 AromaticContact CG-CD1 3.81Å; Y27-W82 AromaticContact CG-NE1 3.51Å
28	G	86.8	Confident	88	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-44.2	172.7	0	0	0	0	0	111.7	S24 L30 V31 L32	S24-G28 PolarHBondContact O-N 2.9Å; S24-G28 VanDerWaalsContact O-N 3.08Å; G28-L30 PolarHBondContact O-N 3.11Å; G28-V31 PolarHBondContact O-N 2.94Å; G28-L32 WeakPolarHBondContact O-CB 3.37Å; G28-L32 VanDerWaalsContact O-CG 3.31Å; G28-L32 WeakPolarHBondContact O-CG 3.24Å; G28-L32 PolarHBondContact O-N 3.36Å
29	G	88.1	Confident	88.3	Confident	8 Å²	8	48.8 Å²	48.8	8%	0.082	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-43.9	175.9	0	0	0	0	0	113.6	P25 I26 Y27 V31 L32 I33 M64	P25-G29 PolarHBondContact O-N 3.25Å; I26-G29 PolarHBondContact O-N 2.97Å; Y27-G29 VanDerWaalsContact C-N 3.26Å; Y27-G29 PolarHBondContact O-N 2.91Å; G29-V31 PolarHBondContact O-N 3.47Å; G29-L32 PolarHBondContact O-N 2.76Å; G29-I33 VanDerWaalsContact O-CG1 3.32Å; G29-I33 WeakPolarHBondContact O-CG1 3.37Å; G29-I33 PolarHBondContact O-N 2.9Å; G29-M64 WeakPolarHBondContact O-CE 3.15Å
30	L	88.8	Confident	88.6	Confident	100 Å²	100	45 Å²	45	52%	0.524	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-44.3	176.8	-68.1	175.1	0	0	0	112	I26 Y27 G28 I33 V34	I26-L30 PolarHBondContact O-N 3.24Å; Y27-L30 HydrophobicContact CD1-CD1 4.36Å; Y27-L30 PolarHBondContact O-N 2.95Å; G28-L30 PolarHBondContact O-N 3.11Å; L30-I33 PolarHBondContact O-N 3.24Å; L30-V34 WeakPolarHBondContact O-CG2 3.13Å; L30-V34 PolarHBondContact O-N 3.31Å; L30-V34 VanDerWaalsContact O-N 3.13Å
31	V	91.6	Very high	88.8	Confident	17 Å²	17	43.9 Å²	43.9	10%	0.103	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-42	178.9	-178.6	0	0	0	0	111.1	G15 F19 Y27 G28 G29 I33 V34 S35 W82	G15-V31 WeakPolarHBondContact O-CG1 3.35Å; F19-V31 HydrophobicContact CB-CB 4.49Å; F19-V31 HydrophobicContact CB-CG1 4.36Å; Y27-V31 WeakPolarHBondContact O-CG2 3.45Å; Y27-V31 PolarHBondContact O-N 3.35Å; G28-V31 PolarHBondContact O-N 2.94Å; G29-V31 PolarHBondContact O-N 3.47Å; V31-I33 VanDerWaalsContact C-N 3.26Å; V31-I33 PolarHBondContact O-N 3.49Å; V31-V34 PolarHBondContact O-N 2.93Å; V31-S35 PolarHBondContact O-N 2.9Å; V31-S35 PolarHBondContact O-OG 3.44Å; V31-W82 HydrophobicContact CG2-CH2 3.47Å; V31-W82 VanDerWaalsContact CG2-CH2 3.47Å; V31-W82 HydrophobicContact CG2-CZ2 3.22Å
32	L	91.5	Very high	89.1	Confident	16 Å²	16	44.8 Å²	44.8	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-32.8	176.7	-73.5	178.3	0	0	0	112.6	F19 G28 G29 S35 G36 M64	F19-L32 HydrophobicContact CB-CD2 4.06Å; F19-L32 HydrophobicContact CB-CG 4.2Å; F19-L32 HydrophobicContact CD1-CD2 3.88Å; F19-L32 HydrophobicContact CD1-CG 4.44Å; F19-L32 HydrophobicContact CD2-CD1 3.8Å; F19-L32 HydrophobicContact CD2-CD2 4.23Å; F19-L32 HydrophobicContact CD2-CG 3.89Å; F19-L32 HydrophobicContact CE1-CD2 4.42Å; F19-L32 HydrophobicContact CE2-CD1 3.83Å; F19-L32 HydrophobicContact CE2-CG 4.41Å; F19-L32 HydrophobicContact CG-CD1 4.21Å; F19-L32 HydrophobicContact CG-CD2 3.77Å; F19-L32 HydrophobicContact CG-CG 3.9Å; F19-L32 HydrophobicContact CZ-CD1 4.25Å; G28-L32 WeakPolarHBondContact O-CB 3.37Å; G28-L32 VanDerWaalsContact O-CG 3.31Å; G28-L32 WeakPolarHBondContact O-CG 3.24Å; G28-L32 PolarHBondContact O-N 3.36Å; G29-L32 PolarHBondContact O-N 2.76Å; L32-S35 WeakPolarHBondContact CA-OG 3.37Å; L32-S35 PolarHBondContact O-OG 2.87Å; L32-S35 VanDerWaalsContact O-OG 3.11Å; L32-G36 PolarHBondContact O-N 3.26Å; L32-M64 HydrophobicContact CB-CE 3.68Å; L32-M64 HydrophobicContact CB-SD 4.06Å; L32-M64 HydrophobicContact CD1-CE 3.98Å; L32-M64 HydrophobicContact CD1-SD 4.13Å; L32-M64 HydrophobicContact CG-CE 4.49Å
33	I	93.8	Very high	89.4	Confident	73 Å²	73	39.6 Å²	39.6	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-66.3	-48.5	173.5	-68	163.3	0	0	0	110.1	G29 L30 V31 S35 G36 V37 L60 M64	G29-I33 VanDerWaalsContact O-CG1 3.32Å; G29-I33 WeakPolarHBondContact O-CG1 3.37Å; G29-I33 PolarHBondContact O-N 2.9Å; L30-I33 PolarHBondContact O-N 3.24Å; V31-I33 VanDerWaalsContact C-N 3.26Å; V31-I33 PolarHBondContact O-N 3.49Å; I33-S35 PolarHBondContact O-N 2.91Å; I33-G36 PolarHBondContact O-N 3.47Å; I33-V37 WeakPolarHBondContact O-CG2 3.36Å; I33-V37 PolarHBondContact O-N 3.32Å; I33-L60 HydrophobicContact CB-CD2 4.2Å; I33-L60 HydrophobicContact CG1-CD2 4.19Å; I33-L60 HydrophobicContact CG2-CD2 4.22Å; I33-M64 HydrophobicContact CG1-CE 4.4Å; I33-M64 HydrophobicContact CG1-CG 4.47Å
34	V	93.4	Very high	89.9	Confident	96 Å²	96	43.1 Å²	43.1	58%	0.582	24%	0.244	S	C	*	.	H	α-helix	trans	-61	-47.4	178.8	177.2	0	0	0	0	110.9	L30 V31 G36 V37 V38	L30-V34 WeakPolarHBondContact O-CG2 3.13Å; L30-V34 PolarHBondContact O-N 3.31Å; L30-V34 VanDerWaalsContact O-N 3.13Å; V31-V34 PolarHBondContact O-N 2.93Å; V34-G36 VanDerWaalsContact C-N 3.32Å; V34-G36 PolarHBondContact O-N 3.06Å; V34-V37 PolarHBondContact O-N 2.96Å; V34-V38 WeakPolarHBondContact O-CG2 3.48Å; V34-V38 PolarHBondContact O-N 3.11Å
35	S	93	Very high	90	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-36.5	178.4	66.8	0	0	0	0	112.1	V31 L32 I33 V38 G39	V31-S35 PolarHBondContact O-N 2.9Å; V31-S35 PolarHBondContact O-OG 3.44Å; L32-S35 WeakPolarHBondContact CA-OG 3.37Å; L32-S35 PolarHBondContact O-OG 2.87Å; L32-S35 VanDerWaalsContact O-OG 3.11Å; I33-S35 PolarHBondContact O-N 2.91Å; S35-V38 PolarHBondContact O-N 2.9Å; S35-G39 PolarHBondContact O-N 3.45Å
36	G	92.8	Very high	89.8	Confident	10 Å²	10	48.3 Å²	48.3	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-40.9	174.9	0	0	0	0	0	112.6	L32 I33 V34 G39 C40	L32-G36 PolarHBondContact O-N 3.26Å; I33-G36 PolarHBondContact O-N 3.47Å; V34-G36 VanDerWaalsContact C-N 3.32Å; V34-G36 PolarHBondContact O-N 3.06Å; G36-G39 PolarHBondContact O-N 3.42Å; G36-C40 PolarHBondContact O-N 2.9Å; G36-C40 PolarHBondContact O-SG 3.09Å
37	V	93.8	Very high	89.5	Confident	62 Å²	62	46.3 Å²	46.3	38%	0.376	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-45.7	174.3	173.4	0	0	0	0	110.7	I33 V34 G39 C40 V41 L60	I33-V37 WeakPolarHBondContact O-CG2 3.36Å; I33-V37 PolarHBondContact O-N 3.32Å; V34-V37 PolarHBondContact O-N 2.96Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 3.14Å; V37-C40 WeakPolarHBondContact O-CB 3.29Å; V37-C40 PolarHBondContact O-N 3.03Å; V37-V41 WeakPolarHBondContact O-CG2 3.47Å; V37-V41 PolarHBondContact O-N 2.99Å; V37-L60 HydrophobicContact CG2-CD1 3.71Å
38	V	93.6	Very high	89.4	Confident	29 Å²	29	42.7 Å²	42.7	18%	0.176	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-42.9	175.9	175.7	0	0	0	0	110.8	L8 L12 V34 S35 C40 V41 I42	L8-V38 HydrophobicContact CB-CG1 4.38Å; L8-V38 HydrophobicContact CD2-CG1 4.09Å; L8-V38 VanDerWaalsContact O-CG1 3.27Å; L8-V38 WeakPolarHBondContact O-CG1 3.21Å; L12-V38 HydrophobicContact CB-CG1 4.14Å; V34-V38 WeakPolarHBondContact O-CG2 3.48Å; V34-V38 PolarHBondContact O-N 3.11Å; S35-V38 PolarHBondContact O-N 2.9Å; V38-C40 PolarHBondContact O-N 3.18Å; V38-V41 PolarHBondContact O-N 3.45Å; V38-I42 HydrophobicContact CG1-CD1 4.19Å; V38-I42 WeakPolarHBondContact O-CG1 3.45Å; V38-I42 PolarHBondContact O-N 3.41Å
39	G	91.4	Very high	89.2	Confident	14 Å²	14	43 Å²	43	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-43.3	173.9	0	0	0	0	0	113.2	S35 G36 V37 V41 I42 I43	S35-G39 PolarHBondContact O-N 3.45Å; G36-G39 PolarHBondContact O-N 3.42Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 3.14Å; G39-V41 VanDerWaalsContact C-N 3.34Å; G39-V41 PolarHBondContact O-N 3.38Å; G39-I42 PolarHBondContact O-N 3.13Å; G39-I43 WeakPolarHBondContact O-CG1 3.47Å; G39-I43 PolarHBondContact O-N 2.91Å; G39-I43 VanDerWaalsContact O-N 3.11Å
40	C	91.7	Very high	89.2	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.054	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-43.2	174.9	-64.8	0	0	0	0	111.3	G36 V37 V38 I42 I43 L44	G36-C40 PolarHBondContact O-N 2.9Å; G36-C40 PolarHBondContact O-SG 3.09Å; V37-C40 WeakPolarHBondContact O-CB 3.29Å; V37-C40 PolarHBondContact O-N 3.03Å; V38-C40 PolarHBondContact O-N 3.18Å; C40-I42 VanDerWaalsContact C-N 3.32Å; C40-I42 PolarHBondContact O-N 2.93Å; C40-I43 PolarHBondContact O-N 3.33Å; C40-L44 VanDerWaalsContact O-CG 3.25Å; C40-L44 WeakPolarHBondContact O-CG 3.17Å; C40-L44 PolarHBondContact O-N 3.18Å
41	V	91.3	Very high	89.2	Confident	55 Å²	55	47.5 Å²	47.5	33%	0.333	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-41.3	176.9	173.8	0	0	0	0	111	L8 V37 V38 G39 I43 L44 N45	L8-V41 HydrophobicContact CD1-CG1 3.92Å; L8-V41 HydrophobicContact CD2-CG1 4.24Å; V37-V41 WeakPolarHBondContact O-CG2 3.47Å; V37-V41 PolarHBondContact O-N 2.99Å; V38-V41 PolarHBondContact O-N 3.45Å; G39-V41 VanDerWaalsContact C-N 3.34Å; G39-V41 PolarHBondContact O-N 3.38Å; V41-I43 PolarHBondContact O-N 3.08Å; V41-L44 PolarHBondContact O-N 2.94Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.34Å; V41-N45 PolarHBondContact O-N 3.37Å; V41-N45 VanDerWaalsContact O-N 3.07Å; V41-N45 PolarHBondContact O-ND2 3.37Å
42	I	89.7	Confident	89.1	Confident	27 Å²	27	46.7 Å²	46.7	14%	0.138	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-49.3	176	-67.6	165.2	0	0	0	110.4	L8 L12 V38 G39 C40 L44 N45 F46	L8-I42 HydrophobicContact CB-CD1 4.13Å; L8-I42 HydrophobicContact CB-CG1 3.75Å; L8-I42 HydrophobicContact CD1-CG1 4.46Å; L12-I42 HydrophobicContact CB-CD1 4.32Å; L12-I42 HydrophobicContact CD1-CD1 3.82Å; V38-I42 HydrophobicContact CG1-CD1 4.19Å; V38-I42 WeakPolarHBondContact O-CG1 3.45Å; V38-I42 PolarHBondContact O-N 3.41Å; G39-I42 PolarHBondContact O-N 3.13Å; C40-I42 VanDerWaalsContact C-N 3.32Å; C40-I42 PolarHBondContact O-N 2.93Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.31Å; I42-N45 PolarHBondContact O-N 2.97Å; I42-F46 HydrophobicContact CG2-CD2 4.1Å; I42-F46 HydrophobicContact CG2-CE2 3.58Å; I42-F46 WeakPolarHBondContact O-CD2 3.37Å; I42-F46 PolarHBondContact O-N 3.36Å
43	I	88.3	Confident	89.1	Confident	54 Å²	54	50.7 Å²	50.7	28%	0.277	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-40.1	-179.8	-60.7	164.3	0	0	0	111.3	G39 C40 V41 N45 F46 G48 M51 V55	G39-I43 WeakPolarHBondContact O-CG1 3.47Å; G39-I43 PolarHBondContact O-N 2.91Å; G39-I43 VanDerWaalsContact O-N 3.11Å; C40-I43 PolarHBondContact O-N 3.33Å; V41-I43 PolarHBondContact O-N 3.08Å; I43-N45 VanDerWaalsContact C-N 3.3Å; I43-N45 PolarHBondContact O-N 3.06Å; I43-F46 PolarHBondContact O-N 2.92Å; I43-F46 VanDerWaalsContact O-N 3.08Å; I43-G48 WeakPolarHBondContact CG2-O 3.38Å; I43-G48 PolarHBondContact O-N 3.29Å; I43-G48 VanDerWaalsContact O-N 3.09Å; I43-M51 HydrophobicContact CG2-CB 4.13Å; I43-V55 HydrophobicContact CD1-CG2 4.4Å
44	L	87	Confident	89.1	Confident	82 Å²	82	50.3 Å²	50.3	43%	0.429	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-34.8	178.1	-71.2	174.2	0	0	0	112.7	C40 V41 I42 F46 G47	C40-L44 VanDerWaalsContact O-CG 3.25Å; C40-L44 WeakPolarHBondContact O-CG 3.17Å; C40-L44 PolarHBondContact O-N 3.18Å; V41-L44 PolarHBondContact O-N 2.94Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.31Å; L44-F46 PolarHBondContact O-N 2.98Å; L44-G47 PolarHBondContact O-N 3.26Å; L44-G47 VanDerWaalsContact O-N 3.11Å
45	N	85.6	Confident	89	Confident	86 Å²	86	48.4 Å²	48.4	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-68.4	-20.9	175.1	-78.1	-73	0	0	0	113.1	L5 V41 I42 I43 G47	L5-N45 HydrophobicContact CD2-CB 3.51Å; L5-N45 HydrophobicContact CG-CB 4.46Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.34Å; V41-N45 PolarHBondContact O-N 3.37Å; V41-N45 VanDerWaalsContact O-N 3.07Å; V41-N45 PolarHBondContact O-ND2 3.37Å; I42-N45 PolarHBondContact O-N 2.97Å; I43-N45 VanDerWaalsContact C-N 3.3Å; I43-N45 PolarHBondContact O-N 3.06Å; N45-G47 VanDerWaalsContact C-N 3.28Å
46	F	80.5	Confident	89	Confident	111 Å²	111	52.8 Å²	52.8	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8.3	172.5	-67.1	-63.2	0	0	0	113.3	L5 I42 I43 L44 G48 Y127	L5-F46 HydrophobicContact CD1-CE1 3.95Å; L5-F46 HydrophobicContact CD1-CZ 3.89Å; I42-F46 HydrophobicContact CG2-CD2 4.1Å; I42-F46 HydrophobicContact CG2-CE2 3.58Å; I42-F46 WeakPolarHBondContact O-CD2 3.37Å; I42-F46 PolarHBondContact O-N 3.36Å; I43-F46 PolarHBondContact O-N 2.92Å; I43-F46 VanDerWaalsContact O-N 3.08Å; L44-F46 PolarHBondContact O-N 2.98Å; F46-G48 PolarHBondContact O-N 2.92Å; F46-Y127 HydrophobicContact CD1-CE1 4.19Å
47	G	80	Confident	89	Confident	35 Å²	35	57.6 Å²	57.6	36%	0.361	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	7.5	-176.9	0	0	0	0	0	113.9	L44 N45 G49 R136	L44-G47 PolarHBondContact O-N 3.26Å; L44-G47 VanDerWaalsContact O-N 3.11Å; N45-G47 VanDerWaalsContact C-N 3.28Å; G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 3.18Å; G47-R136 PolarHBondContact O-NH2 2.97Å
48	G	83.9	Confident	89.1	Confident	7 Å²	7	59.2 Å²	59.2	7%	0.072	31%	0.314	C	S	.	.			trans	-78.4	60.8	178.6	0	0	0	0	0	113.9	I43 F46 G52 D138	I43-G48 WeakPolarHBondContact CG2-O 3.38Å; I43-G48 PolarHBondContact O-N 3.29Å; I43-G48 VanDerWaalsContact O-N 3.09Å; F46-G48 PolarHBondContact O-N 2.92Å; G48-G52 PolarHBondContact O-N 3.27Å; G48-D138 WeakPolarHBondContact CA-OD2 3.39Å
49	G	84.6	Confident	89.1	Confident	7 Å²	7	61 Å²	61	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-53.3	-173.9	0	0	0	0	0	113.5	G47 L53 D138	G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 3.18Å; G49-L53 VanDerWaalsContact O-CG 3.3Å; G49-L53 WeakPolarHBondContact O-CG 3.43Å; G49-L53 PolarHBondContact O-N 3.47Å; G49-D138 PolarHBondContact N-OD2 2.75Å
50	Y	87.3	Confident	89	Confident	95 Å²	95	61.2 Å²	61.2	37%	0.373	32%	0.316	S	S	.	.	H	α-helix	trans	-68.9	-44.3	-178.7	175	-98.4	0	0	0	111	G52 L53 M54 D138 A142	Y50-G52 PolarHBondContact O-N 3.03Å; Y50-L53 PolarHBondContact O-N 3.35Å; Y50-M54 HydrophobicContact CD1-CG 4.1Å; Y50-M54 HydrophobicContact CD2-CG 4.35Å; Y50-M54 HydrophobicContact CE1-CG 3.72Å; Y50-M54 HydrophobicContact CE1-SD 4.49Å; Y50-M54 HydrophobicContact CE2-CG 4Å; Y50-M54 HydrophobicContact CE2-SD 4.05Å; Y50-M54 HydrophobicContact CG-CG 4.39Å; Y50-M54 VanDerWaalsContact O-CG 3.28Å; Y50-M54 WeakPolarHBondContact O-CG 3.37Å; Y50-M54 PolarHBondContact O-N 2.96Å; Y50-D138 PolarHBondContact N-OD2 2.74Å; Y50-A142 HydrophobicContact CD1-CB 4Å; Y50-A142 HydrophobicContact CE1-CB 3.37Å
51	M	88.2	Confident	89	Confident	107 Å²	107	63.1 Å²	63.1	53%	0.527	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-44.3	-178.6	-66.2	-63.5	-78.3	0	0	112.1	I43 M54 V55 D138	I43-M51 HydrophobicContact CG2-CB 4.13Å; M51-M54 PolarHBondContact O-N 2.89Å; M51-V55 PolarHBondContact O-N 2.72Å; M51-D138 HydrophobicContact CG-CB 4.32Å
52	G	90	Very high	89	Confident	1 Å²	1	62 Å²	62	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-41.9	176.8	0	0	0	0	0	112.7	G48 Y50 V55 F56	G48-G52 PolarHBondContact O-N 3.27Å; Y50-G52 PolarHBondContact O-N 3.03Å; G52-V55 PolarHBondContact O-N 3.45Å; G52-F56 PolarHBondContact O-N 3.41Å
53	L	91.4	Very high	89.2	Confident	99 Å²	99	65.8 Å²	65.8	52%	0.518	36%	0.355	S	S	.	.	H	α-helix	trans	-68.7	-34.9	177.9	-70.8	173.8	0	0	0	112.9	G49 Y50 V55 F56 L57	G49-L53 VanDerWaalsContact O-CG 3.3Å; G49-L53 WeakPolarHBondContact O-CG 3.43Å; G49-L53 PolarHBondContact O-N 3.47Å; Y50-L53 PolarHBondContact O-N 3.35Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-F56 WeakPolarHBondContact O-CB 3.29Å; L53-F56 PolarHBondContact O-N 2.93Å; L53-L57 WeakPolarHBondContact O-CG 3.08Å; L53-L57 PolarHBondContact O-N 3.27Å
54	M	93.3	Very high	89.3	Confident	65 Å²	65	64 Å²	64	32%	0.32	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-40.1	175.3	-72.5	-64.2	-77.5	0	0	111.7	Y50 M51 L57 I58	Y50-M54 HydrophobicContact CD1-CG 4.1Å; Y50-M54 HydrophobicContact CD2-CG 4.35Å; Y50-M54 HydrophobicContact CE1-CG 3.72Å; Y50-M54 HydrophobicContact CE1-SD 4.49Å; Y50-M54 HydrophobicContact CE2-CG 4Å; Y50-M54 HydrophobicContact CE2-SD 4.05Å; Y50-M54 HydrophobicContact CG-CG 4.39Å; Y50-M54 VanDerWaalsContact O-CG 3.28Å; Y50-M54 WeakPolarHBondContact O-CG 3.37Å; Y50-M54 PolarHBondContact O-N 2.96Å; M51-M54 PolarHBondContact O-N 2.89Å; M54-L57 PolarHBondContact O-N 3.17Å; M54-I58 HydrophobicContact CE-CD1 3.72Å; M54-I58 WeakPolarHBondContact O-CB 3.3Å; M54-I58 WeakPolarHBondContact O-CG1 3.38Å; M54-I58 PolarHBondContact O-N 3.15Å
55	V	92.6	Very high	89.5	Confident	57 Å²	57	64.5 Å²	64.5	35%	0.345	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-47.2	171.8	176.8	0	0	0	0	110.2	I43 M51 G52 L53 L57 Y59	I43-V55 HydrophobicContact CD1-CG2 4.4Å; M51-V55 PolarHBondContact O-N 2.72Å; G52-V55 PolarHBondContact O-N 3.45Å; L53-V55 VanDerWaalsContact C-N 3.34Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 2.92Å; V55-Y59 WeakPolarHBondContact O-CA 3.34Å; V55-Y59 WeakPolarHBondContact O-CB 3.4Å; V55-Y59 PolarHBondContact O-N 3.45Å
56	F	91.6	Very high	89.8	Confident	98 Å²	98	65 Å²	65	43%	0.43	36%	0.357	S	S	.	.	I	π-helix	trans	-55.7	-43.8	178.3	-172.2	-92.2	0	0	0	112.2	G52 L53 L60 G61	G52-F56 PolarHBondContact O-N 3.41Å; L53-F56 WeakPolarHBondContact O-CB 3.29Å; L53-F56 PolarHBondContact O-N 2.93Å; F56-L60 HydrophobicContact CD2-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.85Å; F56-L60 HydrophobicContact CG-CD1 4.36Å; F56-L60 VanDerWaalsContact O-CB 3.28Å; F56-L60 WeakPolarHBondContact O-CB 3.39Å; F56-L60 PolarHBondContact O-N 3.48Å; F56-G61 PolarHBondContact O-N 3.5Å; F56-G61 VanDerWaalsContact O-N 3.12Å
57	L	93.5	Very high	90.3	Very high	111 Å²	111	62.9 Å²	62.9	58%	0.581	35%	0.348	S	S	*	.	I	π-helix	trans	-75.3	-52.9	-179.1	-68	173.4	0	0	0	112.9	L53 M54 V55 G61 G62	L53-L57 WeakPolarHBondContact O-CG 3.08Å; L53-L57 PolarHBondContact O-N 3.27Å; M54-L57 PolarHBondContact O-N 3.17Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 2.92Å; L57-G61 CarbonylContact O-C 3.47Å; L57-G61 WeakPolarHBondContact O-CA 3.39Å; L57-G61 PolarHBondContact O-N 3.48Å; L57-G61 VanDerWaalsContact O-N 3.12Å; L57-G62 PolarHBondContact O-N 3.07Å
58	I	95.1	Very high	90.7	Very high	95 Å²	95	63 Å²	63	49%	0.487	35%	0.349	S	S	.	.	I	π-helix	trans	-76.1	-43.6	-171.4	-60.2	173.3	0	0	0	110.9	M54 G62 M63	M54-I58 HydrophobicContact CE-CD1 3.72Å; M54-I58 WeakPolarHBondContact O-CB 3.3Å; M54-I58 WeakPolarHBondContact O-CG1 3.38Å; M54-I58 PolarHBondContact O-N 3.15Å; I58-G62 VanDerWaalsContact O-CA 3.25Å; I58-G62 WeakPolarHBondContact O-CA 2.95Å; I58-G62 PolarHBondContact O-N 2.85Å; I58-M63 PolarHBondContact O-N 3.2Å
59	Y	93.3	Very high	91	Very high	66 Å²	66	70.3 Å²	70.3	26%	0.259	38%	0.376	S	S	.	.	I	π-helix	trans	-78.2	-62.4	-178.3	-176.3	-95.6	0	0	0	111	V55 M63 M64	V55-Y59 WeakPolarHBondContact O-CA 3.34Å; V55-Y59 WeakPolarHBondContact O-CB 3.4Å; V55-Y59 PolarHBondContact O-N 3.45Å; Y59-M63 HydrophobicContact CD2-CE 3.55Å; Y59-M63 HydrophobicContact CE2-CE 4.42Å; Y59-M63 HydrophobicContact CG-CE 4.29Å; Y59-M63 PolarHBondContact O-N 3.44Å; Y59-M64 HydrophobicContact CD1-CG 4.26Å; Y59-M64 HydrophobicContact CE1-CG 4.01Å; Y59-M64 HydrophobicContact CE1-SD 4.16Å; Y59-M64 WeakPolarHBondContact O-CG 3.25Å; Y59-M64 PolarHBondContact O-N 2.98Å
60	L	90.8	Very high	91.1	Very high	19 Å²	19	73.2 Å²	73.2	10%	0.099	39%	0.392	C	S	.	.	I	π-helix	trans	-73.5	-42.8	-175.7	-59.2	174.2	0	0	0	112.4	I33 V37 F56 M64	I33-L60 HydrophobicContact CB-CD2 4.2Å; I33-L60 HydrophobicContact CG1-CD2 4.19Å; I33-L60 HydrophobicContact CG2-CD2 4.22Å; V37-L60 HydrophobicContact CG2-CD1 3.71Å; F56-L60 HydrophobicContact CD2-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.85Å; F56-L60 HydrophobicContact CG-CD1 4.36Å; F56-L60 VanDerWaalsContact O-CB 3.28Å; F56-L60 WeakPolarHBondContact O-CB 3.39Å; F56-L60 PolarHBondContact O-N 3.48Å; L60-M64 HydrophobicContact CD2-CG 4.4Å
61	G	90.8	Very high	91	Very high	48 Å²	48	69.6 Å²	69.6	50%	0.495	38%	0.38	S	S	.	.	I	π-helix	trans	-80.7	-29.5	-179.5	0	0	0	0	0	114.6	F56 L57 V65	F56-G61 PolarHBondContact O-N 3.5Å; F56-G61 VanDerWaalsContact O-N 3.12Å; L57-G61 CarbonylContact O-C 3.47Å; L57-G61 WeakPolarHBondContact O-CA 3.39Å; L57-G61 PolarHBondContact O-N 3.48Å; L57-G61 VanDerWaalsContact O-N 3.12Å; G61-V65 WeakPolarHBondContact O-CG2 3.44Å
62	G	92.2	Very high	90.9	Very high	31 Å²	31	67.4 Å²	67.4	32%	0.32	38%	0.379	S	S	.	.	I	π-helix	trans	-98	-78.3	-176.7	0	0	0	0	0	112.5	L57 I58 M64 V65 V66	L57-G62 PolarHBondContact O-N 3.07Å; I58-G62 VanDerWaalsContact O-CA 3.25Å; I58-G62 WeakPolarHBondContact O-CA 2.95Å; I58-G62 PolarHBondContact O-N 2.85Å; G62-M64 PolarHBondContact O-N 3.45Å; G62-V65 PolarHBondContact O-N 2.91Å; G62-V66 PolarHBondContact O-N 3.26Å
63	M	92.9	Very high	90.7	Very high	108 Å²	108	73.8 Å²	73.8	53%	0.532	41%	0.41	S	S	.	.	I	π-helix	trans	-64.7	-41.6	-169.9	-67.3	-172.3	-70.9	0	0	112.9	I58 Y59 V65 V66 F67	I58-M63 PolarHBondContact O-N 3.2Å; Y59-M63 HydrophobicContact CD2-CE 3.55Å; Y59-M63 HydrophobicContact CE2-CE 4.42Å; Y59-M63 HydrophobicContact CG-CE 4.29Å; Y59-M63 PolarHBondContact O-N 3.44Å; M63-V65 VanDerWaalsContact C-N 3.28Å; M63-V65 PolarHBondContact O-N 3.47Å; M63-V66 PolarHBondContact O-N 3.02Å; M63-F67 WeakPolarHBondContact O-CB 3.36Å; M63-F67 PolarHBondContact O-N 3.36Å
64	M	90.3	Very high	90.2	Very high	17 Å²	17	72.7 Å²	72.7	8%	0.084	42%	0.415	C	S	.	.	H	α-helix	trans	-66.4	-30.2	-179.9	-68.5	-52.4	-58.1	0	0	113	G29 L32 I33 Y59 L60 G62 F67 G68	G29-M64 WeakPolarHBondContact O-CE 3.15Å; L32-M64 HydrophobicContact CB-CE 3.68Å; L32-M64 HydrophobicContact CB-SD 4.06Å; L32-M64 HydrophobicContact CD1-CE 3.98Å; L32-M64 HydrophobicContact CD1-SD 4.13Å; L32-M64 HydrophobicContact CG-CE 4.49Å; I33-M64 HydrophobicContact CG1-CE 4.4Å; I33-M64 HydrophobicContact CG1-CG 4.47Å; Y59-M64 HydrophobicContact CD1-CG 4.26Å; Y59-M64 HydrophobicContact CE1-CG 4.01Å; Y59-M64 HydrophobicContact CE1-SD 4.16Å; Y59-M64 WeakPolarHBondContact O-CG 3.25Å; Y59-M64 PolarHBondContact O-N 2.98Å; L60-M64 HydrophobicContact CD2-CG 4.4Å; G62-M64 PolarHBondContact O-N 3.45Å; M64-F67 HydrophobicContact CE-CD1 3.97Å; M64-G68 PolarHBondContact O-N 3.03Å
65	V	92.6	Very high	89.6	Confident	92 Å²	92	74.5 Å²	74.5	56%	0.558	43%	0.425	S	S	*	.	H	α-helix	trans	-71.1	-45.9	177	178.2	0	0	0	0	110.7	G61 G62 M63 F67 G68 Y69	G61-V65 WeakPolarHBondContact O-CG2 3.44Å; G62-V65 PolarHBondContact O-N 2.91Å; M63-V65 VanDerWaalsContact C-N 3.28Å; M63-V65 PolarHBondContact O-N 3.47Å; V65-F67 VanDerWaalsContact C-N 3.3Å; V65-F67 PolarHBondContact O-N 3.26Å; V65-G68 PolarHBondContact O-N 2.92Å; V65-Y69 PolarHBondContact O-N 3.11Å
66	V	91.9	Very high	89	Confident	95 Å²	95	78.8 Å²	78.8	58%	0.576	44%	0.441	S	S	*	.	H	α-helix	trans	-62.6	-41.2	175.1	-179.8	0	0	0	0	110.5	G62 M63 Y69 T70	G62-V66 PolarHBondContact O-N 3.26Å; M63-V66 PolarHBondContact O-N 3.02Å; V66-Y69 PolarHBondContact O-N 2.92Å; V66-T70 WeakPolarHBondContact O-CG2 3.38Å; V66-T70 PolarHBondContact O-N 3.38Å; V66-T70 PolarHBondContact O-OG1 3.49Å
67	F	89.4	Confident	88.1	Confident	68 Å²	68	82.8 Å²	82.8	30%	0.298	46%	0.461	S	S	.	.	H	α-helix	trans	-57.2	-53.2	173.9	178.7	-105.2	0	0	0	111.3	P25 M63 M64 V65 Y69 T70 T71	P25-F67 HydrophobicContact CB-CZ 4.02Å; P25-F67 WeakPolarHBondContact O-CE1 3.31Å; M63-F67 WeakPolarHBondContact O-CB 3.36Å; M63-F67 PolarHBondContact O-N 3.36Å; M64-F67 HydrophobicContact CE-CD1 3.97Å; V65-F67 VanDerWaalsContact C-N 3.3Å; V65-F67 PolarHBondContact O-N 3.26Å; F67-Y69 PolarHBondContact O-N 3.36Å; F67-T70 PolarHBondContact O-N 2.96Å; F67-T70 VanDerWaalsContact O-N 3.11Å; F67-T70 PolarHBondContact O-OG1 3.31Å; F67-T71 HydrophobicContact CD1-CG2 4.16Å; F67-T71 HydrophobicContact CD2-CG2 4.24Å; F67-T71 HydrophobicContact CE1-CG2 3.83Å; F67-T71 HydrophobicContact CE2-CG2 3.91Å; F67-T71 HydrophobicContact CG-CG2 4.36Å; F67-T71 HydrophobicContact CZ-CG2 3.7Å; F67-T71 WeakPolarHBondContact O-CG2 3.32Å; F67-T71 PolarHBondContact O-N 3.47Å; F67-T71 PolarHBondContact O-OG1 2.98Å
68	G	89	Confident	87	Confident	36 Å²	36	87.1 Å²	87.1	37%	0.371	47%	0.471	S	S	.	.	H	α-helix	trans	-57.6	-34.7	176.8	0	0	0	0	0	114	M64 V65 T71 A72	M64-G68 PolarHBondContact O-N 3.03Å; V65-G68 PolarHBondContact O-N 2.92Å; G68-T71 WeakPolarHBondContact CA-OG1 3.16Å; G68-T71 PolarHBondContact O-OG1 3.12Å; G68-A72 PolarHBondContact O-N 3.12Å
69	Y	89.4	Confident	86.1	Confident	161 Å²	161	85.6 Å²	85.6	63%	0.631	47%	0.468	S	S	*	.	H	α-helix	trans	-68.6	-43.1	175.8	-175.5	-102.3	0	0	0	112.1	V65 V66 F67 A72 M73	V65-Y69 PolarHBondContact O-N 3.11Å; V66-Y69 PolarHBondContact O-N 2.92Å; F67-Y69 PolarHBondContact O-N 3.36Å; Y69-A72 WeakPolarHBondContact O-CB 3.48Å; Y69-A72 PolarHBondContact O-N 3.13Å; Y69-M73 HydrophobicContact CD1-CE 4.14Å; Y69-M73 HydrophobicContact CE1-CE 3.33Å
70	T	87.2	Confident	85.2	Confident	69 Å²	69	87.1 Å²	87.1	42%	0.423	48%	0.477	S	S	.	.	H	α-helix	trans	-71.3	-33.7	177.8	57.1	0	0	0	0	113	V66 F67 A72 M73	V66-T70 WeakPolarHBondContact O-CG2 3.38Å; V66-T70 PolarHBondContact O-N 3.38Å; V66-T70 PolarHBondContact O-OG1 3.49Å; F67-T70 PolarHBondContact O-N 2.96Å; F67-T70 VanDerWaalsContact O-N 3.11Å; F67-T70 PolarHBondContact O-OG1 3.31Å; T70-A72 VanDerWaalsContact C-N 3.25Å; T70-A72 PolarHBondContact O-N 3.17Å; T70-M73 WeakPolarHBondContact O-CB 3.47Å; T70-M73 PolarHBondContact O-N 3.44Å; T70-M73 VanDerWaalsContact O-N 3.07Å
71	T	86.3	Confident	84.5	Confident	19 Å²	19	88.2 Å²	88.2	12%	0.117	49%	0.489	C	S	.	.	H	α-helix	trans	-66.9	-31.2	176.3	57.1	0	0	0	0	111.5	P25 F67 G68 M73 A74 I75	P25-T71 HydrophobicContact CB-CG2 3.37Å; P25-T71 HydrophobicContact CG-CG2 4.42Å; F67-T71 HydrophobicContact CD1-CG2 4.16Å; F67-T71 HydrophobicContact CD2-CG2 4.24Å; F67-T71 HydrophobicContact CE1-CG2 3.83Å; F67-T71 HydrophobicContact CE2-CG2 3.91Å; F67-T71 HydrophobicContact CG-CG2 4.36Å; F67-T71 HydrophobicContact CZ-CG2 3.7Å; F67-T71 WeakPolarHBondContact O-CG2 3.32Å; F67-T71 PolarHBondContact O-N 3.47Å; F67-T71 PolarHBondContact O-OG1 2.98Å; G68-T71 WeakPolarHBondContact CA-OG1 3.16Å; G68-T71 PolarHBondContact O-OG1 3.12Å; T71-M73 PolarHBondContact O-N 3.08Å; T71-A74 CarbonylContact O-C 3.35Å; T71-A74 PolarHBondContact O-N 3.23Å; T71-I75 WeakPolarHBondContact O-CG1 3.33Å; T71-I75 PolarHBondContact O-N 3.46Å
72	A	85.3	Confident	83.5	Confident	60 Å²	60	91.2 Å²	91.2	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-28.2	172.1	0	0	0	0	0	113.3	G68 Y69 T70 A74 I75	G68-A72 PolarHBondContact O-N 3.12Å; Y69-A72 WeakPolarHBondContact O-CB 3.48Å; Y69-A72 PolarHBondContact O-N 3.13Å; T70-A72 VanDerWaalsContact C-N 3.25Å; T70-A72 PolarHBondContact O-N 3.17Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A72-I75 HydrophobicContact CB-CD1 4.42Å
73	M	85.2	Confident	82.5	Confident	135 Å²	135	92.3 Å²	92.3	67%	0.665	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.5	176	-61.1	-179.2	168.2	0	0	113.4	Y69 T70 T71	Y69-M73 HydrophobicContact CD1-CE 4.14Å; Y69-M73 HydrophobicContact CE1-CE 3.33Å; T70-M73 WeakPolarHBondContact O-CB 3.47Å; T70-M73 PolarHBondContact O-N 3.44Å; T70-M73 VanDerWaalsContact O-N 3.07Å; T71-M73 PolarHBondContact O-N 3.08Å
74	A	82.4	Confident	81.8	Confident	76 Å²	76	90.7 Å²	90.7	63%	0.628	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	27.8	-176.6	0	0	0	0	0	112.4	T71 A72 E76	T71-A74 CarbonylContact O-C 3.35Å; T71-A74 PolarHBondContact O-N 3.23Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A74-E76 PolarHBondContact O-N 2.95Å
75	I	80.9	Confident	81.4	Confident	103 Å²	103	90.7 Å²	90.7	53%	0.528	50%	0.5	S	S	.	.			trans	-72.1	122	178.8	-65.1	179	0	0	0	109.7	I26 T71 A72	I26-I75 HydrophobicContact CD1-CD1 4.21Å; I26-I75 HydrophobicContact CD1-CG1 4.31Å; T71-I75 WeakPolarHBondContact O-CG1 3.33Å; T71-I75 PolarHBondContact O-N 3.46Å; A72-I75 HydrophobicContact CB-CD1 4.42Å
76	E	78.8	Confident	80.9	Confident	148 Å²	148	91.7 Å²	91.7	69%	0.692	51%	0.506	S	S	*	.			trans	-83	152	167.2	-61.6	-177.4	177	0	0	110.8	A74 Y78	A74-E76 PolarHBondContact O-N 2.95Å; E76-Y78 PolarHBondContact O-N 3.45Å; E76-Y78 VanDerWaalsContact O-N 3.16Å
77	E	72.6	Confident	80.6	Confident	182 Å²	182	95.3 Å²	95.3	85%	0.85	52%	0.517	S	S	*	.	S	Bend	trans	-59.7	-28.1	-175	-67.5	-177.6	171	0	0	113.7
78	Y	71.4	Confident	80.3	Confident	201 Å²	201	92.3 Å²	92.3	79%	0.788	50%	0.504	S	S	*	.	S	Bend	trans	-128.5	87.8	176.9	-65.9	-72.9	0	0	0	110.5	E76 E80	E76-Y78 PolarHBondContact O-N 3.45Å; E76-Y78 VanDerWaalsContact O-N 3.16Å; Y78-E80 PolarHBondContact O-N 3.3Å
79	P	75.1	Confident	80.1	Confident	63 Å²	63	94.6 Å²	94.6	41%	0.409	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-64.8	135	178	26	-33.1	0	0	0	110.2	A81	P79-A81 PolarHBondContact O-N 2.9Å; P79-A81 VanDerWaalsContact O-N 3.09Å
80	E	74.6	Confident	80.1	Confident	99 Å²	99	90.8 Å²	90.8	46%	0.463	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-57	118.3	173.2	-66.7	-168.2	171.5	0	0	110.1	S24 Y27 Y78	S24-E80 PolarHBondContact OG-O 2.99Å; Y27-E80 WeakPolarHBondContact CD2-O 3.45Å; Y78-E80 PolarHBondContact O-N 3.3Å
81	A	75.8	Confident	80.1	Confident	42 Å²	42	89.6 Å²	89.6	35%	0.347	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-82.4	157.8	170	0	0	0	0	0	110.2	P79 G83 S84	P79-A81 PolarHBondContact O-N 2.9Å; P79-A81 VanDerWaalsContact O-N 3.09Å; A81-G83 PolarHBondContact O-N 2.91Å; A81-S84 PolarHBondContact N-OG 2.98Å; A81-S84 PolarHBondContact O-N 3.49Å; A81-S84 PolarHBondContact O-OG 3.19Å
82	W	70.4	Confident	80.2	Confident	111 Å²	111	90.3 Å²	90.3	42%	0.42	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-28.6	-177.2	-75.6	65.3	0	0	0	115.3	Y27 V31	Y27-W82 AromaticContact CD1-CD1 3.95Å; Y27-W82 AromaticContact CD1-NE1 3.57Å; Y27-W82 AromaticContact CG-CD1 3.81Å; Y27-W82 AromaticContact CG-NE1 3.51Å; V31-W82 HydrophobicContact CG2-CH2 3.47Å; V31-W82 VanDerWaalsContact CG2-CH2 3.47Å; V31-W82 HydrophobicContact CG2-CZ2 3.22Å
83	G	72.1	Confident	80.4	Confident	53 Å²	53	93 Å²	93	55%	0.546	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	4.8	178.7	0	0	0	0	0	115	A81	A81-G83 PolarHBondContact O-N 2.91Å
84	S	76.6	Confident	80.7	Confident	75 Å²	75	90.6 Å²	90.6	52%	0.524	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-39.1	-175.5	63.6	0	0	0	0	112.7	A81	A81-S84 PolarHBondContact N-OG 2.98Å; A81-S84 PolarHBondContact O-N 3.49Å; A81-S84 PolarHBondContact O-OG 3.19Å
85	G	81.5	Confident	81	Confident	16 Å²	16	87.7 Å²	87.7	17%	0.165	48%	0.475	C	S	.	.			trans	-88.4	123.7	176.8	0	0	0	0	0	111.9	E87 V88 L89	G85-E87 PolarHBondContact O-N 3.09Å; G85-V88 PolarHBondContact O-N 2.93Å; G85-L89 PolarHBondContact O-N 3.17Å; G85-L89 VanDerWaalsContact O-N 3.13Å
86	V	83.8	Confident	81.3	Confident	114 Å²	114	85.5 Å²	85.5	69%	0.691	46%	0.464	S	S	*	.	H	α-helix	trans	-58.1	-36.9	170.4	178.6	0	0	0	0	110.3	L89 V90	V86-L89 PolarHBondContact O-N 3.49Å; V86-V90 HydrophobicContact CG1-CG2 4.29Å; V86-V90 WeakPolarHBondContact O-CB 3.01Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 3.29Å; V86-V90 PolarHBondContact O-N 2.85Å
87	E	84.1	Confident	81.8	Confident	170 Å²	170	81.5 Å²	81.5	79%	0.794	46%	0.456	S	S	*	.	H	α-helix	trans	-66.3	-38.3	177.4	-59.5	-172	178.9	0	0	112.9	G85 V90 S91	G85-E87 PolarHBondContact O-N 3.09Å; E87-V90 PolarHBondContact O-N 3.11Å; E87-S91 WeakPolarHBondContact O-CB 3.49Å; E87-S91 PolarHBondContact O-N 2.95Å; E87-S91 PolarHBondContact O-OG 3.48Å
88	V	84.5	Confident	82.5	Confident	6 Å²	6	78.2 Å²	78.2	4%	0.036	44%	0.442	C	S	.	.	H	α-helix	trans	-63.2	-46.2	175.5	-176.8	0	0	0	0	109.7	G85 S91 V92	G85-V88 PolarHBondContact O-N 2.93Å; V88-S91 PolarHBondContact O-N 3.4Å; V88-S91 PolarHBondContact O-OG 3.02Å; V88-V92 VanDerWaalsContact O-CG2 3.29Å; V88-V92 WeakPolarHBondContact O-CG2 3.24Å; V88-V92 PolarHBondContact O-N 3.19Å
89	L	85.1	Confident	83.1	Confident	84 Å²	84	69.8 Å²	69.8	44%	0.44	41%	0.41	S	S	.	.	H	α-helix	trans	-64.9	-43	177.7	-72.3	172.7	0	0	0	112.4	G85 V86 V92 L93	G85-L89 PolarHBondContact O-N 3.17Å; G85-L89 VanDerWaalsContact O-N 3.13Å; V86-L89 PolarHBondContact O-N 3.49Å; L89-V92 PolarHBondContact O-N 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 3.3Å
90	V	88.9	Confident	83.6	Confident	80 Å²	80	70.8 Å²	70.8	49%	0.485	41%	0.414	S	S	.	.	H	α-helix	trans	-62.9	-45.6	177.6	170.1	0	0	0	0	110.7	V86 E87 V92 L93 V94	V86-V90 HydrophobicContact CG1-CG2 4.29Å; V86-V90 WeakPolarHBondContact O-CB 3.01Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 3.29Å; V86-V90 PolarHBondContact O-N 2.85Å; E87-V90 PolarHBondContact O-N 3.11Å; V90-V92 PolarHBondContact O-N 3.22Å; V90-L93 PolarHBondContact O-N 3.18Å; V90-V94 HydrophobicContact CG1-CG2 4.39Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.23Å; V90-V94 PolarHBondContact O-N 2.94Å
91	S	87.3	Confident	84.1	Confident	45 Å²	45	67.9 Å²	67.9	32%	0.315	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-37.9	179.8	57.2	0	0	0	0	112.7	S21 E87 V88 V94 G95	S21-S91 WeakPolarHBondContact CA-OG 3.1Å; S21-S91 WeakPolarHBondContact CB-OG 3.29Å; E87-S91 WeakPolarHBondContact O-CB 3.49Å; E87-S91 PolarHBondContact O-N 2.95Å; E87-S91 PolarHBondContact O-OG 3.48Å; V88-S91 PolarHBondContact O-N 3.4Å; V88-S91 PolarHBondContact O-OG 3.02Å; S91-V94 PolarHBondContact O-N 3.26Å; S91-G95 PolarHBondContact O-N 3.24Å
92	V	87.8	Confident	84.4	Confident	34 Å²	34	70.3 Å²	70.3	21%	0.206	42%	0.418	C	S	.	.	H	α-helix	trans	-63.5	-46.2	172.5	172.6	0	0	0	0	111	V88 L89 V90 V94 G95 L96	V88-V92 VanDerWaalsContact O-CG2 3.29Å; V88-V92 WeakPolarHBondContact O-CG2 3.24Å; V88-V92 PolarHBondContact O-N 3.19Å; L89-V92 PolarHBondContact O-N 3.24Å; V90-V92 PolarHBondContact O-N 3.22Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.34Å; V92-G95 PolarHBondContact O-N 3.13Å; V92-L96 HydrophobicContact CG1-CD1 4.07Å; V92-L96 HydrophobicContact CG1-CG 4.33Å; V92-L96 WeakPolarHBondContact O-CG 3.33Å; V92-L96 PolarHBondContact O-N 3.28Å
93	L	88.8	Confident	84.9	Confident	117 Å²	117	67.9 Å²	67.9	61%	0.613	42%	0.415	S	S	*	.	H	α-helix	trans	-61.2	-41	178	-74.3	173.9	0	0	0	112.3	L89 V90 L96 A97	L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 3.3Å; V90-L93 PolarHBondContact O-N 3.18Å; L93-L96 PolarHBondContact O-N 3.42Å; L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.35Å; L93-A97 PolarHBondContact O-N 2.88Å
94	V	91.1	Very high	85.2	Confident	84 Å²	84	69.9 Å²	69.9	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.8	172.4	0	0	0	0	110.6	V90 S91 V92 A97 M98	V90-V94 HydrophobicContact CG1-CG2 4.39Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.23Å; V90-V94 PolarHBondContact O-N 2.94Å; S91-V94 PolarHBondContact O-N 3.26Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.34Å; V94-A97 PolarHBondContact O-N 3.42Å; V94-M98 HydrophobicContact CG1-CG 4.5Å; V94-M98 WeakPolarHBondContact O-CG 3.36Å; V94-M98 PolarHBondContact O-N 2.85Å
95	G	88.8	Confident	85.2	Confident	14 Å²	14	70.9 Å²	70.9	14%	0.144	41%	0.405	C	S	.	.	H	α-helix	trans	-58.7	-48.6	176.2	0	0	0	0	0	112.5	S91 V92 A97 M98 E99	S91-G95 PolarHBondContact O-N 3.24Å; V92-G95 PolarHBondContact O-N 3.13Å; G95-A97 PolarHBondContact O-N 3.3Å; G95-M98 PolarHBondContact O-N 3.5Å; G95-E99 PolarHBondContact O-N 2.92Å
96	L	87.7	Confident	84.7	Confident	58 Å²	58	74.1 Å²	74.1	30%	0.304	42%	0.422	S	S	.	.	H	α-helix	trans	-61.7	-41.8	176.3	-66.2	177.5	0	0	0	112.4	M14 V92 L93 M98 E99 V100	M14-L96 HydrophobicContact CE-CD2 3.49Å; M14-L96 VanDerWaalsContact CE-CD2 3.49Å; M14-L96 HydrophobicContact SD-CD2 3.23Å; M14-L96 WeakPolarHBondContact SD-CD2 3.28Å; V92-L96 HydrophobicContact CG1-CD1 4.07Å; V92-L96 HydrophobicContact CG1-CG 4.33Å; V92-L96 WeakPolarHBondContact O-CG 3.33Å; V92-L96 PolarHBondContact O-N 3.28Å; L93-L96 PolarHBondContact O-N 3.42Å; L96-M98 VanDerWaalsContact C-N 3.31Å; L96-M98 PolarHBondContact O-N 3.01Å; L96-E99 PolarHBondContact O-N 3.18Å; L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 WeakPolarHBondContact O-CG2 3.24Å; L96-V100 PolarHBondContact O-N 2.91Å
97	A	89.9	Confident	83.9	Confident	63 Å²	63	76.7 Å²	76.7	52%	0.521	42%	0.424	S	S	.	.	H	α-helix	trans	-63	-39	177.5	0	0	0	0	0	111.6	L93 V94 G95 G101	L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.35Å; L93-A97 PolarHBondContact O-N 2.88Å; V94-A97 PolarHBondContact O-N 3.42Å; G95-A97 PolarHBondContact O-N 3.3Å; A97-G101 WeakPolarHBondContact O-CA 3.36Å; A97-G101 PolarHBondContact O-N 3.35Å
98	M	87.2	Confident	82.7	Confident	113 Å²	113	76.4 Å²	76.4	56%	0.557	42%	0.422	S	S	*	.	H	α-helix	trans	-67.8	-43.5	175.9	-71.5	-59	-62.4	0	0	112	V94 G95 L96 G101 L102	V94-M98 HydrophobicContact CG1-CG 4.5Å; V94-M98 WeakPolarHBondContact O-CG 3.36Å; V94-M98 PolarHBondContact O-N 2.85Å; G95-M98 PolarHBondContact O-N 3.5Å; L96-M98 VanDerWaalsContact C-N 3.31Å; L96-M98 PolarHBondContact O-N 3.01Å; M98-G101 PolarHBondContact O-N 3.48Å; M98-L102 WeakPolarHBondContact O-CB 3.39Å; M98-L102 VanDerWaalsContact O-CG 3.24Å; M98-L102 WeakPolarHBondContact O-CG 3.41Å; M98-L102 PolarHBondContact O-N 3.44Å
99	E	83.9	Confident	81.2	Confident	24 Å²	24	81.7 Å²	81.7	11%	0.112	44%	0.442	C	S	.	.	H	α-helix	trans	-61	-53.8	176.7	-73.9	-176.5	-162.9	0	0	111.7	V13 M14 V17 G95 L96 G101 L102 V103	V13-E99 HydrophobicContact CB-CG 4.4Å; V13-E99 WeakPolarHBondContact CB-OE1 3.32Å; V13-E99 HydrophobicContact CG1-CG 3.81Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.47Å; M14-E99 WeakPolarHBondContact CG-OE2 3.28Å; M14-E99 PolarHBondContact N-OE1 2.9Å; V17-E99 VanDerWaalsContact CG2-OE1 3.29Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.33Å; G95-E99 PolarHBondContact O-N 2.92Å; L96-E99 PolarHBondContact O-N 3.18Å; E99-G101 VanDerWaalsContact C-N 3.32Å; E99-G101 PolarHBondContact O-N 2.83Å; E99-L102 PolarHBondContact O-N 2.92Å; E99-V103 WeakPolarHBondContact O-CB 3.39Å; E99-V103 VanDerWaalsContact O-CG2 3.27Å; E99-V103 WeakPolarHBondContact O-CG2 3.47Å; E99-V103 PolarHBondContact O-N 3.28Å
100	V	85.3	Confident	79.4	Confident	84 Å²	84	85.5 Å²	85.5	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-41.4	179.6	176.3	0	0	0	0	110.5	L96 V103 L104	L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 WeakPolarHBondContact O-CG2 3.24Å; L96-V100 PolarHBondContact O-N 2.91Å; V100-V103 PolarHBondContact O-N 2.95Å; V100-L104 HydrophobicContact CG1-CD1 3.7Å; V100-L104 HydrophobicContact CG1-CG 4.11Å; V100-L104 WeakPolarHBondContact O-CB 3.48Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.08Å
101	G	84.5	Confident	77.2	Confident	39 Å²	39	85 Å²	85	40%	0.402	47%	0.473	S	S	.	.	H	α-helix	trans	-58.4	-48.4	177.1	0	0	0	0	0	112.1	A97 M98 E99 W105	A97-G101 WeakPolarHBondContact O-CA 3.36Å; A97-G101 PolarHBondContact O-N 3.35Å; M98-G101 PolarHBondContact O-N 3.48Å; E99-G101 VanDerWaalsContact C-N 3.32Å; E99-G101 PolarHBondContact O-N 2.83Å; G101-W105 WeakPolarHBondContact O-CB 3.47Å; G101-W105 PolarHBondContact O-N 3.4Å
102	L	82.1	Confident	74.7	Confident	93 Å²	93	87.7 Å²	87.7	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-67.9	-40.5	178.4	-70.6	173.2	0	0	0	112.2	M98 E99 W105 V106	M98-L102 WeakPolarHBondContact O-CB 3.39Å; M98-L102 VanDerWaalsContact O-CG 3.24Å; M98-L102 WeakPolarHBondContact O-CG 3.41Å; M98-L102 PolarHBondContact O-N 3.44Å; E99-L102 PolarHBondContact O-N 2.92Å; L102-W105 PolarHBondContact O-N 3.32Å; L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.5Å; L102-V106 PolarHBondContact O-N 3.13Å
103	V	80.9	Confident	72.5	Confident	59 Å²	59	90.9 Å²	90.9	36%	0.358	51%	0.508	S	S	.	.	H	α-helix	trans	-66	-42.4	178.3	171.9	0	0	0	0	111.5	F6 E99 V100 V106 K107	F6-V103 HydrophobicContact CZ-CG1 4.05Å; F6-V103 HydrophobicContact CZ-CG2 4.04Å; E99-V103 WeakPolarHBondContact O-CB 3.39Å; E99-V103 VanDerWaalsContact O-CG2 3.27Å; E99-V103 WeakPolarHBondContact O-CG2 3.47Å; E99-V103 PolarHBondContact O-N 3.28Å; V100-V103 PolarHBondContact O-N 2.95Å; V103-V106 PolarHBondContact O-N 2.95Å; V103-K107 WeakPolarHBondContact O-CB 3.35Å; V103-K107 PolarHBondContact O-N 3.36Å
104	L	80.3	Confident	70	Confident	95 Å²	95	88.2 Å²	88.2	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-66.7	-40.1	175.4	-70.4	177.3	0	0	0	111.4	V100 K107 E108	V100-L104 HydrophobicContact CG1-CD1 3.7Å; V100-L104 HydrophobicContact CG1-CG 4.11Å; V100-L104 WeakPolarHBondContact O-CB 3.48Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.08Å; L104-K107 WeakPolarHBondContact O-CB 3.47Å; L104-K107 PolarHBondContact O-N 3.43Å; L104-K107 VanDerWaalsContact O-N 3.13Å; L104-E108 PolarHBondContact O-N 3.01Å
105	W	76.4	Confident	67.7	Low	97 Å²	97	91.2 Å²	91.2	37%	0.367	51%	0.514	S	S	.	.	H	α-helix	trans	-62.1	-44.2	176.1	-167.5	64.5	0	0	0	111.6	G101 L102 K107 E108 Y109 V114	G101-W105 WeakPolarHBondContact O-CB 3.47Å; G101-W105 PolarHBondContact O-N 3.4Å; L102-W105 PolarHBondContact O-N 3.32Å; W105-K107 VanDerWaalsContact C-N 3.26Å; W105-K107 PolarHBondContact O-N 2.94Å; W105-E108 PolarHBondContact O-N 3.36Å; W105-Y109 AromaticContact CD1-CD2 3.47Å; W105-Y109 VanDerWaalsContact CD1-CD2 3.47Å; W105-Y109 AromaticContact CD1-CE2 3.21Å; W105-Y109 HydrophobicContact CD2-CD2 4.41Å; W105-Y109 HydrophobicContact CG-CD2 4.07Å; W105-Y109 HydrophobicContact CG-CE2 4.21Å; W105-Y109 AromaticContact NE1-CD2 3.44Å; W105-Y109 AromaticContact NE1-CE2 3.02Å; W105-Y109 AromaticContact NE1-CZ 3.49Å; W105-Y109 VanDerWaalsContact O-CD2 3.28Å; W105-Y109 WeakPolarHBondContact O-CD2 3.38Å; W105-Y109 PolarHBondContact O-N 3.14Å; W105-Y109 VanDerWaalsContact O-N 3.12Å; W105-V114 HydrophobicContact CH2-CB 4.06Å; W105-V114 HydrophobicContact CH2-CG1 3.84Å; W105-V114 HydrophobicContact CH2-CG2 4.03Å; W105-V114 HydrophobicContact CZ2-CG1 4.39Å; W105-V114 HydrophobicContact CZ2-CG2 4.04Å
106	V	70.4	Confident	65.3	Low	84 Å²	84	94.9 Å²	94.9	51%	0.509	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-35.4	173.8	170.6	0	0	0	0	111.6	L102 V103	L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.5Å; L102-V106 PolarHBondContact O-N 3.13Å; V103-V106 PolarHBondContact O-N 2.95Å
107	K	67.3	Low	62.7	Low	168 Å²	168	97.2 Å²	97.2	73%	0.73	55%	0.546	S	S	*	.	H	α-helix	trans	-72.4	-32.9	178.8	-171.7	-177.9	176.2	-174.4	0	113.3	V103 L104 W105	V103-K107 WeakPolarHBondContact O-CB 3.35Å; V103-K107 PolarHBondContact O-N 3.36Å; L104-K107 WeakPolarHBondContact O-CB 3.47Å; L104-K107 PolarHBondContact O-N 3.43Å; L104-K107 VanDerWaalsContact O-N 3.13Å; W105-K107 VanDerWaalsContact C-N 3.26Å; W105-K107 PolarHBondContact O-N 2.94Å
108	E	59.5	Low	60.3	Low	164 Å²	164	99 Å²	99	77%	0.766	54%	0.542	S	S	*	.	H	α-helix	trans	-82.1	-28.1	-179	-115	174.5	176.7	0	0	113.1	L104 W105 D110	L104-E108 PolarHBondContact O-N 3.01Å; W105-E108 PolarHBondContact O-N 3.36Å; E108-D110 PolarHBondContact O-N 3.07Å
109	Y	52.6	Low	57.9	Low	117 Å²	117	100.1 Å²	100.1	46%	0.459	55%	0.551	S	S	.	*			trans	-99.9	42.8	-174.8	-77.2	-98.9	0	0	0	113.8	W105 G111 V112	W105-Y109 AromaticContact CD1-CD2 3.47Å; W105-Y109 VanDerWaalsContact CD1-CD2 3.47Å; W105-Y109 AromaticContact CD1-CE2 3.21Å; W105-Y109 HydrophobicContact CD2-CD2 4.41Å; W105-Y109 HydrophobicContact CG-CD2 4.07Å; W105-Y109 HydrophobicContact CG-CE2 4.21Å; W105-Y109 AromaticContact NE1-CD2 3.44Å; W105-Y109 AromaticContact NE1-CE2 3.02Å; W105-Y109 AromaticContact NE1-CZ 3.49Å; W105-Y109 VanDerWaalsContact O-CD2 3.28Å; W105-Y109 WeakPolarHBondContact O-CD2 3.38Å; W105-Y109 PolarHBondContact O-N 3.14Å; W105-Y109 VanDerWaalsContact O-N 3.12Å; Y109-G111 PolarHBondContact O-N 3.13Å; Y109-V112 HydrophobicContact CD1-CB 4.49Å
110	D	46.8	Very low	55.9	Low	164 Å²	164	100.2 Å²	100.2	88%	0.877	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	28	173.2	-157.8	26.5	0	0	0	113.4	E108	E108-D110 PolarHBondContact O-N 3.07Å
111	G	42	Very low	53.9	Low	68 Å²	68	99.8 Å²	99.8	70%	0.701	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.2	-0.3	-170.9	0	0	0	0	0	119.1	Y109	Y109-G111 PolarHBondContact O-N 3.13Å
112	V	36.1	Very low	51.5	Low	103 Å²	103	101.3 Å²	101.3	62%	0.624	57%	0.567	S	S	*	*			trans	-134.2	117.3	176.1	-176.6	0	0	0	0	111	Y109 V114	Y109-V112 HydrophobicContact CD1-CB 4.49Å; V112-V114 VanDerWaalsContact C-N 3.35Å; V112-V114 PolarHBondContact O-N 2.95Å
113	V	41.8	Very low	49.3	Very low	101 Å²	101	99.8 Å²	99.8	61%	0.612	56%	0.564	S	S	*	*			trans	-55.5	91	173	-178.4	0	0	0	0	109.6
114	V	35	Very low	47.2	Very low	60 Å²	60	106.5 Å²	106.5	36%	0.364	58%	0.583	S	S	.	*			trans	-82.8	147.5	162.9	-174	0	0	0	0	107.8	W105 V112 V116	W105-V114 HydrophobicContact CH2-CB 4.06Å; W105-V114 HydrophobicContact CH2-CG1 3.84Å; W105-V114 HydrophobicContact CH2-CG2 4.03Å; W105-V114 HydrophobicContact CZ2-CG1 4.39Å; W105-V114 HydrophobicContact CZ2-CG2 4.04Å; V112-V114 VanDerWaalsContact C-N 3.35Å; V112-V114 PolarHBondContact O-N 2.95Å; V114-V116 CarbonylContact O-C 3.57Å; V114-V116 PolarHBondContact O-N 3.26Å
115	V	42.8	Very low	45.3	Very low	147 Å²	147	106.3 Å²	106.3	89%	0.891	58%	0.581	S	S	*	*	S	Bend	trans	-60	8.4	-163.5	177.4	0	0	0	0	115.9
116	V	38.4	Very low	43.5	Very low	91 Å²	91	107.1 Å²	107.1	55%	0.552	59%	0.591	S	S	*	*	S	Bend	trans	-108	103.2	155.5	-174.4	0	0	0	0	105.8	V114 F118	V114-V116 CarbonylContact O-C 3.57Å; V114-V116 PolarHBondContact O-N 3.26Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 HydrophobicContact CB-CD2 4.12Å; V116-F118 HydrophobicContact CB-CE2 3.63Å; V116-F118 HydrophobicContact CB-CZ 4.06Å; V116-F118 HydrophobicContact CG1-CD2 4.26Å; V116-F118 HydrophobicContact CG1-CE1 4.08Å; V116-F118 HydrophobicContact CG1-CE2 3.7Å; V116-F118 HydrophobicContact CG1-CZ 3.6Å; V116-F118 WeakPolarHBondContact O-CD2 3.27Å; V116-F118 PolarHBondContact O-N 3.47Å
117	N	34.1	Very low	42.5	Very low	108 Å²	108	109.2 Å²	109.2	58%	0.578	59%	0.591	S	S	*	*			trans	-60.7	89	-172.7	-168.3	-4.4	0	0	0	111.6	N119 S120	N117-N119 PolarHBondContact OD1-N 3.24Å; N117-S120 PolarHBondContact O-OG 3.25Å
118	F	39.7	Very low	41.7	Very low	100 Å²	100	109.5 Å²	109.5	44%	0.439	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-89.7	5.5	176.8	-71.3	-64.9	0	0	0	112.9	V116 S120 V121	V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 HydrophobicContact CB-CD2 4.12Å; V116-F118 HydrophobicContact CB-CE2 3.63Å; V116-F118 HydrophobicContact CB-CZ 4.06Å; V116-F118 HydrophobicContact CG1-CD2 4.26Å; V116-F118 HydrophobicContact CG1-CE1 4.08Å; V116-F118 HydrophobicContact CG1-CE2 3.7Å; V116-F118 HydrophobicContact CG1-CZ 3.6Å; V116-F118 WeakPolarHBondContact O-CD2 3.27Å; V116-F118 PolarHBondContact O-N 3.47Å; F118-S120 PolarHBondContact O-N 3.39Å; F118-V121 HydrophobicContact CB-CG2 3.62Å; F118-V121 HydrophobicContact CD1-CG2 3.77Å; F118-V121 HydrophobicContact CG-CG2 4.11Å; F118-V121 WeakPolarHBondContact O-CG2 3.41Å; F118-V121 PolarHBondContact O-N 2.93Å
119	N	35.3	Very low	41.7	Very low	136 Å²	136	104.6 Å²	104.6	73%	0.727	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-60.7	-7.9	164.3	-88.6	-1.1	0	0	0	112	N117	N117-N119 PolarHBondContact OD1-N 3.24Å
120	S	43.3	Very low	42	Very low	27 Å²	27	108.3 Å²	108.3	19%	0.189	61%	0.609	C	S	.	*	G	3₁₀ helix	trans	-95.4	12.3	170.2	76.1	0	0	0	0	114.6	N117 F118 G122 S123 W124	N117-S120 PolarHBondContact O-OG 3.25Å; F118-S120 PolarHBondContact O-N 3.39Å; S120-G122 PolarHBondContact O-N 2.94Å; S120-S123 VanDerWaalsContact C-N 3.34Å; S120-S123 CarbonylContact O-C 3.38Å; S120-S123 WeakPolarHBondContact O-CA 3.41Å; S120-S123 PolarHBondContact O-N 3.3Å; S120-W124 PolarHBondContact O-N 2.95Å; S120-W124 PolarHBondContact OG-NE1 3.47Å
121	V	42.2	Very low	42.7	Very low	75 Å²	75	103.4 Å²	103.4	46%	0.455	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-30.8	177.2	-174.9	0	0	0	0	110.5	F118 S123	F118-V121 HydrophobicContact CB-CG2 3.62Å; F118-V121 HydrophobicContact CD1-CG2 3.77Å; F118-V121 HydrophobicContact CG-CG2 4.11Å; F118-V121 WeakPolarHBondContact O-CG2 3.41Å; F118-V121 PolarHBondContact O-N 2.93Å; V121-S123 VanDerWaalsContact C-N 3.31Å
122	G	35.4	Very low	43.3	Very low	70 Å²	70	106.5 Å²	106.5	72%	0.722	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-11.6	165.8	0	0	0	0	0	114.6	S120	S120-G122 PolarHBondContact O-N 2.94Å
123	S	34.6	Very low	44.6	Very low	62 Å²	62	104.4 Å²	104.4	43%	0.434	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106	-12.1	-175.7	174	0	0	0	0	114	S120 V121 I126	S120-S123 VanDerWaalsContact C-N 3.34Å; S120-S123 CarbonylContact O-C 3.38Å; S120-S123 WeakPolarHBondContact O-CA 3.41Å; S120-S123 PolarHBondContact O-N 3.3Å; V121-S123 VanDerWaalsContact C-N 3.31Å; S123-I126 WeakPolarHBondContact O-CG1 3.31Å
124	W	38	Very low	45.8	Very low	200 Å²	200	108.3 Å²	108.3	76%	0.758	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-18.8	168.3	-70	24.4	0	0	0	110.9	S120	S120-W124 PolarHBondContact O-N 2.95Å; S120-W124 PolarHBondContact OG-NE1 3.47Å
125	M	40.5	Very low	47.6	Very low	90 Å²	90	111 Å²	111	44%	0.443	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.6	39.7	176.1	-54.9	-177.6	-167.4	0	0	111	Y127	M125-Y127 HydrophobicContact CB-CD2 4.42Å; M125-Y127 HydrophobicContact CB-CE2 4.29Å; M125-Y127 PolarHBondContact O-N 3.47Å
126	I	37.1	Very low	49.1	Very low	114 Å²	114	110.8 Å²	110.8	59%	0.585	62%	0.619	S	S	*	*			trans	-70.3	88.2	162.1	-58.6	166	0	0	0	105.5	S123 E128	S123-I126 WeakPolarHBondContact O-CG1 3.31Å; I126-E128 HydrophobicContact CG2-CG 3.95Å; I126-E128 PolarHBondContact O-N 3.18Å
127	Y	49.8	Very low	51.1	Low	128 Å²	128	114.3 Å²	114.3	50%	0.502	63%	0.629	S	S	.	*			trans	-65.9	84.6	155.2	-70	-84.6	0	0	0	105.7	L5 F46 M125 G129	L5-Y127 WeakPolarHBondContact CD1-OH 3.46Å; F46-Y127 HydrophobicContact CD1-CE1 4.19Å; M125-Y127 HydrophobicContact CB-CD2 4.42Å; M125-Y127 HydrophobicContact CB-CE2 4.29Å; M125-Y127 PolarHBondContact O-N 3.47Å; Y127-G129 PolarHBondContact O-N 3.47Å
128	E	52	Low	53.4	Low	175 Å²	175	111 Å²	111	82%	0.818	61%	0.612	S	S	*	*			trans	-59.4	104.7	147.4	-81.2	-173	168.8	0	0	103.7	I126 E130	I126-E128 HydrophobicContact CG2-CG 3.95Å; I126-E128 PolarHBondContact O-N 3.18Å; E128-E130 PolarHBondContact O-N 3.26Å
129	G	58.3	Low	55.5	Low	60 Å²	60	109.2 Å²	109.2	62%	0.619	61%	0.61	S	S	*	*			trans	-50.5	144.6	179.7	0	0	0	0	0	108.2	Y127 G131	Y127-G129 PolarHBondContact O-N 3.47Å; G129-G131 PolarHBondContact O-N 3.21Å
130	E	59.7	Low	58	Low	195 Å²	195	107.1 Å²	107.1	91%	0.911	60%	0.598	S	S	*	*			trans	-44.5	111	175.1	57.2	-171.3	170.4	0	0	108	E128	E128-E130 PolarHBondContact O-N 3.26Å
131	G	61.3	Low	60	Low	62 Å²	62	108 Å²	108	64%	0.639	61%	0.612	S	S	*	*			trans	-58.9	175.6	179.3	0	0	0	0	0	109.3	G129 G133	G129-G131 PolarHBondContact O-N 3.21Å; G131-G133 PolarHBondContact O-N 2.96Å
132	S	54.8	Low	62.2	Low	132 Å²	132	105.5 Å²	105.5	92%	0.923	60%	0.599	S	S	*	*	S	Bend	trans	-71.1	34.3	175.5	66.6	0	0	0	0	113.6
133	G	63.7	Low	64.7	Low	59 Å²	59	103.9 Å²	103.9	61%	0.608	58%	0.582	S	S	*	*			trans	-76.9	131.1	176.2	0	0	0	0	0	110.3	G131 I135	G131-G133 PolarHBondContact O-N 2.96Å; G133-I135 PolarHBondContact O-N 3.42Å
134	L	65.4	Low	67.5	Low	183 Å²	183	102.6 Å²	102.6	96%	0.958	58%	0.575	S	S	*	*	S	Bend	trans	-72	-11.1	178	-65.8	172.4	0	0	0	113.1
135	I	72.4	Confident	70	Confident	118 Å²	118	97 Å²	97	61%	0.605	56%	0.559	S	S	*	*	S	Bend	trans	-134	134.5	-170.4	-42.9	173.7	0	0	0	109.6	G133 I140	G133-I135 PolarHBondContact O-N 3.42Å; I135-I140 HydrophobicContact CB-CD1 3.53Å; I135-I140 HydrophobicContact CB-CG1 4.5Å; I135-I140 HydrophobicContact CD1-CD1 4.21Å; I135-I140 HydrophobicContact CG1-CD1 4.47Å; I135-I140 HydrophobicContact CG2-CD1 3.21Å; I135-I140 HydrophobicContact CG2-CG1 3.65Å
136	R	75.7	Confident	72.4	Confident	141 Å²	141	101.2 Å²	101.2	53%	0.532	57%	0.572	S	S	.	*			trans	-69.7	141.6	174.2	-66.3	176.9	76.4	-178.6	9.3	110.5	G47 P139	G47-R136 PolarHBondContact O-NH2 2.97Å; R136-P139 WeakPolarHBondContact O-CD 3.05Å
137	E	80.8	Confident	75	Confident	166 Å²	166	102.8 Å²	102.8	78%	0.776	58%	0.577	S	S	*	*	H	α-helix	trans	-69.9	-39.8	-170.9	-59.3	-177.6	174.4	0	0	113.1	I140 G141	E137-I140 PolarHBondContact O-N 2.88Å; E137-G141 PolarHBondContact O-N 3.38Å
138	D	80.8	Confident	76.9	Confident	38 Å²	38	106.1 Å²	106.1	20%	0.203	59%	0.59	C	S	.	*	H	α-helix	trans	-54	-53.8	-173	-42.8	-35.5	0	0	0	114.8	G48 G49 Y50 M51 I140 G141 A142	G48-D138 WeakPolarHBondContact CA-OD2 3.39Å; G49-D138 PolarHBondContact N-OD2 2.75Å; Y50-D138 PolarHBondContact N-OD2 2.74Å; M51-D138 HydrophobicContact CG-CB 4.32Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 3.48Å; D138-G141 PolarHBondContact O-N 2.94Å; D138-A142 WeakPolarHBondContact O-CB 3.24Å; D138-A142 PolarHBondContact O-N 3.37Å
139	P	84.3	Confident	78.8	Confident	63 Å²	63	98.5 Å²	98.5	41%	0.409	56%	0.558	S	S	.	*	H	α-helix	trans	-69.5	-29.8	-177.6	28.3	-36.5	0	0	0	112.7	R136 G143	R136-P139 WeakPolarHBondContact O-CD 3.05Å; P139-G143 PolarHBondContact O-N 2.88Å
140	I	88.1	Confident	80.4	Confident	91 Å²	91	104.1 Å²	104.1	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-68.9	-46.6	176.8	-59.3	168	0	0	0	109.6	I135 E137 D138 A142 G143 A144	I135-I140 HydrophobicContact CB-CD1 3.53Å; I135-I140 HydrophobicContact CB-CG1 4.5Å; I135-I140 HydrophobicContact CD1-CD1 4.21Å; I135-I140 HydrophobicContact CG1-CD1 4.47Å; I135-I140 HydrophobicContact CG2-CD1 3.21Å; I135-I140 HydrophobicContact CG2-CG1 3.65Å; E137-I140 PolarHBondContact O-N 2.88Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 3.48Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 2.9Å; I140-G143 PolarHBondContact O-N 3.05Å; I140-G143 VanDerWaalsContact O-N 3.13Å; I140-A144 PolarHBondContact O-N 2.94Å
141	G	86	Confident	82.1	Confident	47 Å²	47	105 Å²	105	49%	0.485	56%	0.555	S	S	.	*	H	α-helix	trans	-59.6	-41.9	176.3	0	0	0	0	0	112.1	E137 D138 A144	E137-G141 PolarHBondContact O-N 3.38Å; D138-G141 PolarHBondContact O-N 2.94Å; G141-A144 WeakPolarHBondContact O-CB 3.47Å; G141-A144 PolarHBondContact O-N 3.44Å
142	A	87.6	Confident	83.6	Confident	21 Å²	21	107 Å²	107	17%	0.174	55%	0.551	C	S	.	*	H	α-helix	trans	-64	-39	174.1	0	0	0	0	0	112.5	Y50 D138 I140 L145	Y50-A142 HydrophobicContact CD1-CB 4Å; Y50-A142 HydrophobicContact CE1-CB 3.37Å; D138-A142 WeakPolarHBondContact O-CB 3.24Å; D138-A142 PolarHBondContact O-N 3.37Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 2.9Å; A142-L145 WeakPolarHBondContact O-CB 3.18Å; A142-L145 PolarHBondContact O-N 3.26Å
143	G	88.3	Confident	85.6	Confident	37 Å²	37	103.4 Å²	103.4	38%	0.381	52%	0.524	S	S	.	.	H	α-helix	trans	-66.5	-34.9	176.2	0	0	0	0	0	113.6	P139 I140 L145 Y146	P139-G143 PolarHBondContact O-N 2.88Å; I140-G143 PolarHBondContact O-N 3.05Å; I140-G143 VanDerWaalsContact O-N 3.13Å; G143-L145 PolarHBondContact O-N 3.11Å; G143-L145 VanDerWaalsContact O-N 3.08Å; G143-Y146 PolarHBondContact O-N 3.49Å; G143-Y146 VanDerWaalsContact O-N 3.09Å
144	A	91.9	Very high	87.1	Confident	34 Å²	34	105 Å²	105	28%	0.281	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-18.1	178.2	0	0	0	0	0	113.5	I140 G141 Y146 E147 Y148 G149	I140-A144 PolarHBondContact O-N 2.94Å; G141-A144 WeakPolarHBondContact O-CB 3.47Å; G141-A144 PolarHBondContact O-N 3.44Å; A144-Y146 PolarHBondContact O-N 3.21Å; A144-E147 PolarHBondContact O-N 3.45Å; A144-Y148 HydrophobicContact CB-CD2 4.13Å; A144-Y148 PolarHBondContact O-N 3.43Å; A144-G149 PolarHBondContact O-N 3.24Å
145	L	91.6	Very high	88.7	Confident	82 Å²	82	100.3 Å²	100.3	43%	0.429	50%	0.5	S	S	.	.	H	α-helix	trans	-58.7	-30.9	172.8	-72.2	172.1	0	0	0	112.9	A142 G143 G149 L152	A142-L145 WeakPolarHBondContact O-CB 3.18Å; A142-L145 PolarHBondContact O-N 3.26Å; G143-L145 PolarHBondContact O-N 3.11Å; G143-L145 VanDerWaalsContact O-N 3.08Å; L145-G149 CarbonylContact O-C 3.18Å; L145-G149 WeakPolarHBondContact O-CA 3.33Å; L145-G149 PolarHBondContact O-N 3.42Å; L145-G149 VanDerWaalsContact O-N 3.08Å; L145-L152 HydrophobicContact CD2-CD1 4.39Å
146	Y	91.2	Very high	89.8	Confident	180 Å²	180	97.8 Å²	97.8	71%	0.706	49%	0.49	S	S	*	.	H	α-helix	trans	-80	-30.9	-179	-67.6	-72.2	0	0	0	113.1	G143 A144 V153	G143-Y146 PolarHBondContact O-N 3.49Å; G143-Y146 VanDerWaalsContact O-N 3.09Å; A144-Y146 PolarHBondContact O-N 3.21Å; Y146-V153 HydrophobicContact CD1-CG2 4.48Å
147	E	90.5	Very high	90.8	Very high	146 Å²	146	93 Å²	93	68%	0.682	48%	0.484	S	S	*	.	H	α-helix	trans	-87.3	-56.3	179.9	-64	-171.1	165.3	0	0	111.6	A144 R150	A144-E147 PolarHBondContact O-N 3.45Å; E147-R150 WeakPolarHBondContact O-CG 3.26Å
148	Y	90	Very high	91.6	Very high	199 Å²	199	93 Å²	93	78%	0.78	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-36.6	-176.5	-62.4	-78.7	0	0	0	112.2	A144 R150	A144-Y148 HydrophobicContact CB-CD2 4.13Å; A144-Y148 PolarHBondContact O-N 3.43Å; Y148-R150 VanDerWaalsContact C-N 3.26Å; Y148-R150 PolarHBondContact O-N 3.5Å; Y148-R150 VanDerWaalsContact O-N 3.17Å
149	G	92.1	Very high	92.4	Very high	14 Å²	14	95.1 Å²	95.1	14%	0.144	49%	0.492	C	S	.	.			trans	-83.5	24	-173.6	0	0	0	0	0	115.5	A144 L145 W151 L152 V153	A144-G149 PolarHBondContact O-N 3.24Å; L145-G149 CarbonylContact O-C 3.18Å; L145-G149 WeakPolarHBondContact O-CA 3.33Å; L145-G149 PolarHBondContact O-N 3.42Å; L145-G149 VanDerWaalsContact O-N 3.08Å; G149-W151 VanDerWaalsContact C-N 3.29Å; G149-W151 PolarHBondContact O-N 2.98Å; G149-L152 WeakPolarHBondContact O-CA 3.1Å; G149-L152 VanDerWaalsContact O-CB 3.24Å; G149-L152 WeakPolarHBondContact O-CB 3.45Å; G149-L152 PolarHBondContact O-N 2.86Å; G149-V153 PolarHBondContact O-N 3.36Å
150	R	92.7	Very high	92.9	Very high	178 Å²	178	98.3 Å²	98.3	67%	0.672	50%	0.504	S	S	*	.	H	α-helix	trans	-52.5	-43.4	-173.4	-64.1	177.3	67.7	-169.8	2	113.4	E147 Y148 V153 V154	E147-R150 WeakPolarHBondContact O-CG 3.26Å; Y148-R150 VanDerWaalsContact C-N 3.26Å; Y148-R150 PolarHBondContact O-N 3.5Å; Y148-R150 VanDerWaalsContact O-N 3.17Å; R150-V153 PolarHBondContact O-N 2.83Å; R150-V154 WeakPolarHBondContact O-CG2 3.47Å; R150-V154 PolarHBondContact O-N 3.42Å
151	W	94.6	Very high	93.4	Very high	213 Å²	213	99 Å²	99	81%	0.807	50%	0.504	S	S	*	.	H	α-helix	trans	-65	-39.5	176.2	-79.5	109.4	0	0	0	112.6	G149 V153 V154 V155	G149-W151 VanDerWaalsContact C-N 3.29Å; G149-W151 PolarHBondContact O-N 2.98Å; W151-V153 VanDerWaalsContact C-N 3.31Å; W151-V153 PolarHBondContact O-N 3.33Å; W151-V154 PolarHBondContact O-N 2.88Å; W151-V155 WeakPolarHBondContact O-CG2 3.49Å; W151-V155 PolarHBondContact O-N 2.85Å
152	L	94.1	Very high	93.9	Very high	104 Å²	104	99.1 Å²	99.1	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-40.6	176.4	-124.6	169.7	0	0	0	110.7	L145 G149 V155 T156	L145-L152 HydrophobicContact CD2-CD1 4.39Å; G149-L152 WeakPolarHBondContact O-CA 3.1Å; G149-L152 VanDerWaalsContact O-CB 3.24Å; G149-L152 WeakPolarHBondContact O-CB 3.45Å; G149-L152 PolarHBondContact O-N 2.86Å; L152-V155 PolarHBondContact O-N 2.99Å; L152-T156 HydrophobicContact CD2-CG2 3.93Å; L152-T156 WeakPolarHBondContact O-CB 3.4Å; L152-T156 VanDerWaalsContact O-CG2 3.29Å; L152-T156 WeakPolarHBondContact O-CG2 3.29Å; L152-T156 PolarHBondContact O-N 3.34Å; L152-T156 PolarHBondContact O-OG1 3.35Å
153	V	95.4	Very high	94.4	Very high	58 Å²	58	99.3 Å²	99.3	35%	0.352	50%	0.5	S	S	.	.	H	α-helix	trans	-63.3	-44.8	174.3	176.9	0	0	0	0	111.5	Y146 G149 R150 W151 T156 G157	Y146-V153 HydrophobicContact CD1-CG2 4.48Å; G149-V153 PolarHBondContact O-N 3.36Å; R150-V153 PolarHBondContact O-N 2.83Å; W151-V153 VanDerWaalsContact C-N 3.31Å; W151-V153 PolarHBondContact O-N 3.33Å; V153-T156 WeakPolarHBondContact CA-OG1 3.35Å; V153-T156 PolarHBondContact O-OG1 3.06Å; V153-G157 PolarHBondContact O-N 3.4Å
154	V	96.7	Very high	94.8	Very high	91 Å²	91	101.6 Å²	101.6	55%	0.552	51%	0.506	S	S	*	.	H	α-helix	trans	-61.9	-46.5	177.7	172.9	0	0	0	0	111	R150 W151 W158	R150-V154 WeakPolarHBondContact O-CG2 3.47Å; R150-V154 PolarHBondContact O-N 3.42Å; W151-V154 PolarHBondContact O-N 2.88Å; V154-W158 VanDerWaalsContact O-CB 3.26Å; V154-W158 WeakPolarHBondContact O-CB 3.36Å; V154-W158 PolarHBondContact O-N 3.42Å
155	V	97.6	Very high	95	Very high	86 Å²	86	105.9 Å²	105.9	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-65.9	-48.8	-179.6	173.5	0	0	0	0	111	W151 L152 G157 W158 T159	W151-V155 WeakPolarHBondContact O-CG2 3.49Å; W151-V155 PolarHBondContact O-N 2.85Å; L152-V155 PolarHBondContact O-N 2.99Å; V155-G157 PolarHBondContact O-N 3.09Å; V155-W158 PolarHBondContact O-N 2.94Å; V155-T159 HydrophobicContact CG1-CG2 4.42Å; V155-T159 WeakPolarHBondContact O-CG2 3.12Å; V155-T159 PolarHBondContact O-N 3.07Å; V155-T159 PolarHBondContact O-OG1 2.86Å
156	T	95.3	Very high	95.2	Very high	65 Å²	65	106.1 Å²	106.1	40%	0.399	52%	0.517	S	S	.	.	H	α-helix	trans	-62.3	-45.1	179.6	49.7	0	0	0	0	111.8	L152 V153 W158 T159 L160	L152-T156 HydrophobicContact CD2-CG2 3.93Å; L152-T156 WeakPolarHBondContact O-CB 3.4Å; L152-T156 VanDerWaalsContact O-CG2 3.29Å; L152-T156 WeakPolarHBondContact O-CG2 3.29Å; L152-T156 PolarHBondContact O-N 3.34Å; L152-T156 PolarHBondContact O-OG1 3.35Å; V153-T156 WeakPolarHBondContact CA-OG1 3.35Å; V153-T156 PolarHBondContact O-OG1 3.06Å; T156-W158 VanDerWaalsContact C-N 3.33Å; T156-W158 PolarHBondContact O-N 3.43Å; T156-T159 WeakPolarHBondContact CA-OG1 3.3Å; T156-T159 PolarHBondContact O-N 3.48Å; T156-T159 PolarHBondContact O-OG1 3.27Å; T156-L160 PolarHBondContact O-N 2.76Å
157	G	96.5	Very high	95.4	Very high	39 Å²	39	102.1 Å²	102.1	40%	0.402	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-43	174.4	0	0	0	0	0	112.5	V153 V155 L160 F161	V153-G157 PolarHBondContact O-N 3.4Å; V155-G157 PolarHBondContact O-N 3.09Å; G157-L160 PolarHBondContact O-N 2.95Å; G157-F161 WeakPolarHBondContact O-CB 3.25Å; G157-F161 PolarHBondContact O-N 2.78Å
158	W	97.6	Very high	95.7	Very high	168 Å²	168	99.9 Å²	99.9	64%	0.636	50%	0.502	S	S	*	.	H	α-helix	trans	-64.8	-42.6	176.2	-169	-96.8	0	0	0	112.6	V154 V155 T156 L160 F161 V162	V154-W158 VanDerWaalsContact O-CB 3.26Å; V154-W158 WeakPolarHBondContact O-CB 3.36Å; V154-W158 PolarHBondContact O-N 3.42Å; V155-W158 PolarHBondContact O-N 2.94Å; T156-W158 VanDerWaalsContact C-N 3.33Å; T156-W158 PolarHBondContact O-N 3.43Å; W158-L160 VanDerWaalsContact C-N 3.35Å; W158-L160 PolarHBondContact O-N 2.74Å; W158-F161 PolarHBondContact O-N 3.12Å; W158-V162 HydrophobicContact CD2-CG2 4.45Å; W158-V162 HydrophobicContact CG-CG2 4.44Å; W158-V162 HydrophobicContact CZ2-CG2 4.41Å; W158-V162 WeakPolarHBondContact O-CG2 3.49Å; W158-V162 PolarHBondContact O-N 3.29Å
159	T	97.7	Very high	96	Very high	82 Å²	82	97.4 Å²	97.4	50%	0.503	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-39.7	178.1	56.2	0	0	0	0	112.5	V155 T156 G163	V155-T159 HydrophobicContact CG1-CG2 4.42Å; V155-T159 WeakPolarHBondContact O-CG2 3.12Å; V155-T159 PolarHBondContact O-N 3.07Å; V155-T159 PolarHBondContact O-OG1 2.86Å; T156-T159 WeakPolarHBondContact CA-OG1 3.3Å; T156-T159 PolarHBondContact O-N 3.48Å; T156-T159 PolarHBondContact O-OG1 3.27Å; T159-G163 PolarHBondContact O-N 3.34Å
160	L	96	Very high	96.1	Very high	129 Å²	129	102.4 Å²	102.4	68%	0.675	52%	0.52	S	S	*	.	H	α-helix	trans	-68.3	-41.8	175.4	-68.8	175.4	0	0	0	111.6	T156 G157 W158 G163 V164	T156-L160 PolarHBondContact O-N 2.76Å; G157-L160 PolarHBondContact O-N 2.95Å; W158-L160 VanDerWaalsContact C-N 3.35Å; W158-L160 PolarHBondContact O-N 2.74Å; L160-G163 PolarHBondContact O-N 2.89Å; L160-V164 PolarHBondContact O-N 2.82Å; L160-V164 VanDerWaalsContact O-N 3.09Å
161	F	97.6	Very high	96	Very high	106 Å²	106	97 Å²	97	47%	0.465	51%	0.514	S	S	.	.	H	α-helix	trans	-60.2	-50.5	177.3	179.9	-108.5	0	0	0	111.8	G157 W158 G163 V164 Y165	G157-F161 WeakPolarHBondContact O-CB 3.25Å; G157-F161 PolarHBondContact O-N 2.78Å; W158-F161 PolarHBondContact O-N 3.12Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 3.49Å; F161-V164 PolarHBondContact O-N 2.84Å; F161-Y165 HydrophobicContact CD1-CD2 4.45Å; F161-Y165 AromaticContact CD1-CE2 3.98Å; F161-Y165 HydrophobicContact CD1-CE2 3.98Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.31Å; F161-Y165 AromaticContact CE1-CE2 3.51Å; F161-Y165 HydrophobicContact CE1-CE2 3.51Å; F161-Y165 AromaticContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CG-CE2 4.29Å; F161-Y165 AromaticContact CZ-CE2 3.37Å; F161-Y165 HydrophobicContact CZ-CE2 3.37Å; F161-Y165 AromaticContact CZ-CZ 3.87Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.37Å; F161-Y165 VanDerWaalsContact O-CD2 3.26Å; F161-Y165 WeakPolarHBondContact O-CD2 3.28Å
162	V	97.8	Very high	95.9	Very high	49 Å²	49	97.1 Å²	97.1	30%	0.297	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-36.7	176	178.6	0	0	0	0	110.9	W158 V164 Y165 I166	W158-V162 HydrophobicContact CD2-CG2 4.45Å; W158-V162 HydrophobicContact CG-CG2 4.44Å; W158-V162 HydrophobicContact CZ2-CG2 4.41Å; W158-V162 WeakPolarHBondContact O-CG2 3.49Å; W158-V162 PolarHBondContact O-N 3.29Å; V162-V164 VanDerWaalsContact C-N 3.27Å; V162-V164 PolarHBondContact O-N 3.36Å; V162-Y165 PolarHBondContact O-N 2.95Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.06Å; V162-I166 PolarHBondContact O-N 3.37Å
163	G	96.9	Very high	95.4	Very high	26 Å²	26	95.4 Å²	95.4	27%	0.268	52%	0.521	S	S	.	.	H	α-helix	trans	-55	-39.5	175.2	0	0	0	0	0	113.3	T159 L160 F161 I166 V167	T159-G163 PolarHBondContact O-N 3.34Å; L160-G163 PolarHBondContact O-N 2.89Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 3.49Å; G163-I166 PolarHBondContact O-N 3.08Å; G163-V167 WeakPolarHBondContact O-CG2 3.02Å; G163-V167 PolarHBondContact O-N 3.17Å
164	V	96.5	Very high	93.6	Very high	85 Å²	85	102.7 Å²	102.7	52%	0.515	56%	0.558	S	S	.	*	H	α-helix	trans	-61.6	-46.2	174.8	174.1	0	0	0	0	111.4	L160 F161 V162 V167 I168	L160-V164 PolarHBondContact O-N 2.82Å; L160-V164 VanDerWaalsContact O-N 3.09Å; F161-V164 PolarHBondContact O-N 2.84Å; V162-V164 VanDerWaalsContact C-N 3.27Å; V162-V164 PolarHBondContact O-N 3.36Å; V164-V167 PolarHBondContact O-N 2.68Å; V164-I168 HydrophobicContact CG1-CD1 3.83Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.38Å; V164-I168 PolarHBondContact O-N 3.11Å
165	Y	96.1	Very high	93.5	Very high	124 Å²	124	103.3 Å²	103.3	49%	0.486	56%	0.559	S	S	.	*	H	α-helix	trans	-63.8	-42.6	177.6	-70.2	-75.8	0	0	0	112.3	F161 V162 V167 I168 E169	F161-Y165 HydrophobicContact CD1-CD2 4.45Å; F161-Y165 AromaticContact CD1-CE2 3.98Å; F161-Y165 HydrophobicContact CD1-CE2 3.98Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.31Å; F161-Y165 AromaticContact CE1-CE2 3.51Å; F161-Y165 HydrophobicContact CE1-CE2 3.51Å; F161-Y165 AromaticContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CG-CE2 4.29Å; F161-Y165 AromaticContact CZ-CE2 3.37Å; F161-Y165 HydrophobicContact CZ-CE2 3.37Å; F161-Y165 AromaticContact CZ-CZ 3.87Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.37Å; F161-Y165 VanDerWaalsContact O-CD2 3.26Å; F161-Y165 WeakPolarHBondContact O-CD2 3.28Å; V162-Y165 PolarHBondContact O-N 2.95Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.13Å; Y165-I168 PolarHBondContact O-N 3.41Å; Y165-E169 PolarHBondContact O-N 2.91Å
166	I	97.1	Very high	93.3	Very high	86 Å²	86	104.2 Å²	104.2	44%	0.441	56%	0.561	S	S	.	*	H	α-helix	trans	-57.4	-49	177.1	-68.1	168.5	0	0	0	110	V162 G163 I168 E169 I170	V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.06Å; V162-I166 PolarHBondContact O-N 3.37Å; G163-I166 PolarHBondContact O-N 3.08Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 3.26Å; I166-E169 PolarHBondContact O-N 2.83Å; I166-I170 HydrophobicContact CG2-CD1 3.57Å; I166-I170 HydrophobicContact CG2-CG1 4.36Å; I166-I170 WeakPolarHBondContact O-CB 3.35Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 3.43Å
167	V	95.3	Very high	93.2	Very high	97 Å²	97	106.4 Å²	106.4	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-63	-39.9	-180	173.8	0	0	0	0	111.4	G163 V164 Y165 A171	G163-V167 WeakPolarHBondContact O-CG2 3.02Å; G163-V167 PolarHBondContact O-N 3.17Å; V164-V167 PolarHBondContact O-N 2.68Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.13Å; V167-A171 WeakPolarHBondContact O-CB 3.36Å; V167-A171 PolarHBondContact O-N 3.28Å
168	I	95.8	Very high	93	Very high	98 Å²	98	110.4 Å²	110.4	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-65	-45.9	177	-68.6	167.8	0	0	0	111.3	V164 Y165 I166 A171 R172	V164-I168 HydrophobicContact CG1-CD1 3.83Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.38Å; V164-I168 PolarHBondContact O-N 3.11Å; Y165-I168 PolarHBondContact O-N 3.41Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 3.26Å; I168-A171 PolarHBondContact O-N 3.46Å; I168-R172 VanDerWaalsContact O-CB 3.3Å; I168-R172 WeakPolarHBondContact O-CB 3.46Å; I168-R172 PolarHBondContact O-N 2.95Å
169	E	95.8	Very high	92.7	Very high	147 Å²	147	106.8 Å²	106.8	69%	0.687	58%	0.576	S	S	*	*	H	α-helix	trans	-65	-39.9	179.7	-75.2	-174.1	172.1	0	0	112.1	Y165 I166	Y165-E169 PolarHBondContact O-N 2.91Å; I166-E169 PolarHBondContact O-N 2.83Å
170	I	94.8	Very high	92.3	Very high	120 Å²	120	108.4 Å²	108.4	62%	0.615	58%	0.581	S	S	*	*	H	α-helix	trans	-65.4	-48.3	175.2	-66.7	169.5	0	0	0	110.4	I166 R172 G173	I166-I170 HydrophobicContact CG2-CD1 3.57Å; I166-I170 HydrophobicContact CG2-CG1 4.36Å; I166-I170 WeakPolarHBondContact O-CB 3.35Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 3.43Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.16Å; I170-G173 PolarHBondContact O-N 2.73Å
171	A	92.1	Very high	92.1	Very high	65 Å²	65	106.9 Å²	106.9	54%	0.537	57%	0.574	S	S	.	*	H	α-helix	trans	-69.5	-26	-177.1	0	0	0	0	0	113.3	V167 I168 G173	V167-A171 WeakPolarHBondContact O-CB 3.36Å; V167-A171 PolarHBondContact O-N 3.28Å; I168-A171 PolarHBondContact O-N 3.46Å; A171-G173 PolarHBondContact O-N 2.82Å
172	R	91.8	Very high	91.7	Very high	215 Å²	215	107 Å²	107	81%	0.811	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-16.6	175.4	-158.8	-178.5	89.1	-179	4.5	113.1	I168 I170 N174	I168-R172 VanDerWaalsContact O-CB 3.3Å; I168-R172 WeakPolarHBondContact O-CB 3.46Å; I168-R172 PolarHBondContact O-N 2.95Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.16Å; R172-N174 VanDerWaalsContact C-N 3.27Å
173	G	83.2	Confident	91.1	Very high	67 Å²	67	111.8 Å²	111.8	69%	0.691	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-6.9	177.3	0	0	0	0	0	114.5	I170 A171	I170-G173 PolarHBondContact O-N 2.73Å; A171-G173 PolarHBondContact O-N 2.82Å
174	N	58.5	Low	90.6	Very high	212 Å²	212	119.6 Å²	119.6	100%	1.134	64%	0.637	S	S	*	*			trans	-87.4	0	170.8	-92.9	5.6	0	0	0	112.4	R172	R172-N174 VanDerWaalsContact C-N 3.27Å

Retrieved 174 of 174 residues in 71 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).