A0A075C7T2_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 A0A075C7T2, 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	52.4	Low	77.3	Confident	228 Å²	228	88.5 Å²	88.5	100%	1.123	47%	0.47	S	S	*	.				0	-27.1	0	-79.6	-170.5	177	0	0	113.8	Y3 A4	M1-Y3 VanDerWaalsContact C-N 3.29Å; M1-Y3 PolarHBondContact O-N 3.4Å; M1-A4 PolarHBondContact O-N 3.19Å
2	M	57.2	Low	78.4	Confident	140 Å²	140	84.2 Å²	84.2	69%	0.69	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.3	-176.9	-163.6	178.5	-74.8	0	0	115.9	M125	M2-M125 WeakPolarHBondContact O-CE 3.24Å
3	Y	70.9	Confident	79.2	Confident	160 Å²	160	82.7 Å²	82.7	63%	0.627	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	4.9	-179.5	-60.6	-75.4	0	0	0	114.5	M1 L5 F6 L7	M1-Y3 VanDerWaalsContact C-N 3.29Å; M1-Y3 PolarHBondContact O-N 3.4Å; Y3-L5 PolarHBondContact O-N 3.38Å; Y3-F6 HydrophobicContact CD1-CD1 4.46Å; Y3-F6 PolarHBondContact O-N 2.97Å; Y3-L7 WeakPolarHBondContact O-CG 3.33Å; Y3-L7 PolarHBondContact O-N 3.4Å
4	A	77.9	Confident	79.8	Confident	54 Å²	54	82.7 Å²	82.7	45%	0.446	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-47.3	-173.4	0	0	0	0	0	112.4	M1 F6 L7 L8	M1-A4 PolarHBondContact O-N 3.19Å; A4-F6 VanDerWaalsContact C-N 3.35Å; A4-L7 PolarHBondContact O-N 3.24Å; A4-L8 WeakPolarHBondContact O-CG 3.46Å; A4-L8 PolarHBondContact O-N 3.03Å
5	L	80.9	Confident	80.4	Confident	38 Å²	38	77.9 Å²	77.9	20%	0.199	42%	0.417	C	S	.	.	H	α-helix	trans	-66.8	-37.4	175.9	-69.7	175.5	0	0	0	112.4	Y3 L8 S9 N45 F46	Y3-L5 PolarHBondContact O-N 3.38Å; L5-L8 HydrophobicContact CD2-CD1 4.35Å; L5-L8 PolarHBondContact O-N 2.93Å; L5-S9 WeakPolarHBondContact O-CB 3.31Å; L5-S9 PolarHBondContact O-N 3.44Å; L5-S9 PolarHBondContact O-OG 2.95Å; L5-N45 HydrophobicContact CD2-CB 3.56Å; L5-F46 HydrophobicContact CD1-CE1 3.97Å; L5-F46 HydrophobicContact CD1-CE2 4.46Å; L5-F46 HydrophobicContact CD1-CZ 3.83Å
6	F	81.3	Confident	80.8	Confident	68 Å²	68	78.8 Å²	78.8	30%	0.298	42%	0.417	S	S	.	.	H	α-helix	trans	-61.7	-47.7	175.7	179.2	-102.7	0	0	0	111.1	Y3 A4 L8 S9 V10 V103	Y3-F6 HydrophobicContact CD1-CD1 4.46Å; Y3-F6 PolarHBondContact O-N 2.97Å; A4-F6 VanDerWaalsContact C-N 3.35Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-L8 PolarHBondContact O-N 2.88Å; F6-S9 PolarHBondContact O-N 2.91Å; F6-S9 PolarHBondContact O-OG 3.4Å; F6-V10 HydrophobicContact CD1-CG2 4.48Å; F6-V10 HydrophobicContact CE1-CG2 4.09Å; F6-V10 HydrophobicContact CE2-CG2 4.47Å; F6-V10 HydrophobicContact CZ-CG2 4.1Å; F6-V10 WeakPolarHBondContact O-CG2 3.23Å; F6-V10 PolarHBondContact O-N 3.29Å; F6-V103 HydrophobicContact CZ-CG1 4.05Å; F6-V103 HydrophobicContact CZ-CG2 4.07Å
7	L	84.9	Confident	81.3	Confident	117 Å²	117	75.5 Å²	75.5	61%	0.613	40%	0.4	S	S	*	.	H	α-helix	trans	-62.6	-39.6	175.9	-70.3	173.5	0	0	0	112.6	Y3 A4 S9 V10 G11	Y3-L7 WeakPolarHBondContact O-CG 3.33Å; Y3-L7 PolarHBondContact O-N 3.4Å; A4-L7 PolarHBondContact O-N 3.24Å; L7-S9 VanDerWaalsContact C-N 3.35Å; L7-V10 PolarHBondContact O-N 3.08Å; L7-G11 PolarHBondContact O-N 3.35Å
8	L	85.6	Confident	81.5	Confident	46 Å²	46	71.5 Å²	71.5	24%	0.241	38%	0.38	C	S	.	.	H	α-helix	trans	-63.4	-40.9	173.9	-75	164.9	0	0	0	111.7	A4 L5 F6 G11 L12 V38 V41 I42	A4-L8 WeakPolarHBondContact O-CG 3.46Å; A4-L8 PolarHBondContact O-N 3.03Å; L5-L8 HydrophobicContact CD2-CD1 4.35Å; L5-L8 PolarHBondContact O-N 2.93Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-L8 PolarHBondContact O-N 2.88Å; L8-G11 PolarHBondContact O-N 3.05Å; L8-L12 PolarHBondContact O-N 3.27Å; L8-V38 HydrophobicContact CB-CG1 4.35Å; L8-V38 HydrophobicContact CD2-CG1 4.06Å; L8-V38 VanDerWaalsContact O-CG1 3.26Å; L8-V38 WeakPolarHBondContact O-CG1 3.41Å; L8-V41 HydrophobicContact CD1-CG1 3.89Å; L8-V41 HydrophobicContact CD2-CG1 4.17Å; L8-I42 HydrophobicContact CB-CD1 4.15Å; L8-I42 HydrophobicContact CB-CG1 3.77Å; L8-I42 HydrophobicContact CD1-CG1 4.48Å
9	S	84	Confident	81.7	Confident	47 Å²	47	71.7 Å²	71.7	33%	0.329	38%	0.378	S	S	.	.	H	α-helix	trans	-64.5	-41.8	176.9	73	0	0	0	0	111.7	L5 F6 L7 G11 L12 V13	L5-S9 WeakPolarHBondContact O-CB 3.31Å; L5-S9 PolarHBondContact O-N 3.44Å; L5-S9 PolarHBondContact O-OG 2.95Å; F6-S9 PolarHBondContact O-N 2.91Å; F6-S9 PolarHBondContact O-OG 3.4Å; L7-S9 VanDerWaalsContact C-N 3.35Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.34Å; S9-L12 WeakPolarHBondContact O-CB 3.36Å; S9-L12 PolarHBondContact O-N 3.41Å; S9-L12 VanDerWaalsContact O-N 3.12Å; S9-V13 WeakPolarHBondContact O-CG2 3.39Å; S9-V13 PolarHBondContact O-N 3.43Å
10	V	87.1	Confident	81.9	Confident	43 Å²	43	71.8 Å²	71.8	26%	0.261	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-43.7	172.1	174.7	0	0	0	0	110.3	F6 L7 L12 V13 M14	F6-V10 HydrophobicContact CD1-CG2 4.48Å; F6-V10 HydrophobicContact CE1-CG2 4.09Å; F6-V10 HydrophobicContact CE2-CG2 4.47Å; F6-V10 HydrophobicContact CZ-CG2 4.1Å; F6-V10 WeakPolarHBondContact O-CG2 3.23Å; F6-V10 PolarHBondContact O-N 3.29Å; L7-V10 PolarHBondContact O-N 3.08Å; V10-L12 PolarHBondContact O-N 3.37Å; V10-V13 PolarHBondContact O-N 3.3Å; V10-M14 HydrophobicContact CG1-CG 4.46Å; V10-M14 WeakPolarHBondContact O-CB 3.2Å; V10-M14 WeakPolarHBondContact O-CG 3.27Å; V10-M14 PolarHBondContact O-N 2.99Å
11	G	88.4	Confident	81.9	Confident	33 Å²	33	68.8 Å²	68.8	34%	0.34	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-32.5	174.7	0	0	0	0	0	113.9	L7 L8 S9 G15	L7-G11 PolarHBondContact O-N 3.35Å; L8-G11 PolarHBondContact O-N 3.05Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.34Å; G11-G15 PolarHBondContact O-N 2.91Å; G11-G15 VanDerWaalsContact O-N 3.13Å
12	L	89.9	Confident	83.3	Confident	36 Å²	36	65.8 Å²	65.8	19%	0.188	35%	0.35	C	S	.	.	H	α-helix	trans	-71	-43.8	175	-176.2	152.5	0	0	0	111.6	L8 S9 V10 M14 G15 F16 V38 I42	L8-L12 PolarHBondContact O-N 3.27Å; S9-L12 WeakPolarHBondContact O-CB 3.36Å; S9-L12 PolarHBondContact O-N 3.41Å; S9-L12 VanDerWaalsContact O-N 3.12Å; V10-L12 PolarHBondContact O-N 3.37Å; L12-M14 VanDerWaalsContact C-N 3.32Å; L12-M14 PolarHBondContact O-N 3.06Å; L12-G15 PolarHBondContact O-N 3.39Å; L12-F16 HydrophobicContact CD2-CD2 3.7Å; L12-F16 HydrophobicContact CD2-CE1 4.32Å; L12-F16 HydrophobicContact CD2-CE2 3.26Å; L12-F16 HydrophobicContact CD2-CG 4.4Å; L12-F16 HydrophobicContact CD2-CZ 3.62Å; L12-F16 HydrophobicContact CG-CE2 4.31Å; L12-F16 HydrophobicContact CG-CZ 4.22Å; L12-F16 PolarHBondContact O-N 3.48Å; L12-V38 HydrophobicContact CB-CG1 4.14Å; L12-I42 HydrophobicContact CB-CD1 4.31Å; L12-I42 HydrophobicContact CD1-CD1 3.84Å
13	V	89.3	Confident	84.1	Confident	65 Å²	65	59.6 Å²	59.6	39%	0.394	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.5	-167.2	0	0	0	0	110.5	S9 V10 G15 F16 V17 E99	S9-V13 WeakPolarHBondContact O-CG2 3.39Å; S9-V13 PolarHBondContact O-N 3.43Å; V10-V13 PolarHBondContact O-N 3.3Å; V13-G15 VanDerWaalsContact C-N 3.27Å; V13-G15 PolarHBondContact O-N 3.37Å; V13-F16 CarbonylContact O-C 3.56Å; V13-F16 WeakPolarHBondContact O-CA 3.45Å; V13-F16 WeakPolarHBondContact O-CB 3.36Å; V13-F16 PolarHBondContact O-N 3.3Å; V13-V17 WeakPolarHBondContact O-CG2 3.31Å; V13-V17 PolarHBondContact O-N 3.16Å; V13-E99 HydrophobicContact CB-CG 4.37Å; V13-E99 WeakPolarHBondContact CB-OE1 3.46Å; V13-E99 HydrophobicContact CG1-CG 3.79Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.46Å
14	M	87.1	Confident	84.7	Confident	83 Å²	83	52.7 Å²	52.7	41%	0.409	30%	0.295	S	S	.	.	H	α-helix	trans	-55.8	-41.5	173.6	-79.6	-65.8	-67.1	0	0	112.6	V10 L12 F16 G18 L96 E99	V10-M14 HydrophobicContact CG1-CG 4.46Å; V10-M14 WeakPolarHBondContact O-CB 3.2Å; V10-M14 WeakPolarHBondContact O-CG 3.27Å; V10-M14 PolarHBondContact O-N 2.99Å; L12-M14 VanDerWaalsContact C-N 3.32Å; L12-M14 PolarHBondContact O-N 3.06Å; M14-F16 VanDerWaalsContact C-N 3.33Å; M14-G18 PolarHBondContact O-N 3.45Å; M14-L96 HydrophobicContact CE-CD2 3.63Å; M14-L96 HydrophobicContact SD-CD2 3.27Å; M14-L96 WeakPolarHBondContact SD-CD2 3.37Å; M14-E99 WeakPolarHBondContact CA-OE1 3.46Å; M14-E99 WeakPolarHBondContact CG-OE2 3.43Å; M14-E99 PolarHBondContact N-OE1 3.39Å; M14-E99 VanDerWaalsContact N-OE1 3.13Å
15	G	88.9	Confident	85.1	Confident	10 Å²	10	53.6 Å²	53.6	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-39	172.4	0	0	0	0	0	112.4	G11 L12 V13 G18 F19 V31	G11-G15 PolarHBondContact O-N 2.91Å; G11-G15 VanDerWaalsContact O-N 3.13Å; L12-G15 PolarHBondContact O-N 3.39Å; V13-G15 VanDerWaalsContact C-N 3.27Å; V13-G15 PolarHBondContact O-N 3.37Å; G15-G18 PolarHBondContact O-N 3.25Å; G15-F19 PolarHBondContact O-N 3.3Å; G15-F19 VanDerWaalsContact O-N 3.12Å; G15-V31 WeakPolarHBondContact O-CG1 3.43Å
16	F	87.4	Confident	85.3	Confident	93 Å²	93	55.4 Å²	55.4	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-40	177.4	-68.1	-11.1	0	0	0	113.7	L12 V13 M14 G18 F19 S20	L12-F16 HydrophobicContact CD2-CD2 3.7Å; L12-F16 HydrophobicContact CD2-CE1 4.32Å; L12-F16 HydrophobicContact CD2-CE2 3.26Å; L12-F16 HydrophobicContact CD2-CG 4.4Å; L12-F16 HydrophobicContact CD2-CZ 3.62Å; L12-F16 HydrophobicContact CG-CE2 4.31Å; L12-F16 HydrophobicContact CG-CZ 4.22Å; L12-F16 PolarHBondContact O-N 3.48Å; V13-F16 CarbonylContact O-C 3.56Å; V13-F16 WeakPolarHBondContact O-CA 3.45Å; V13-F16 WeakPolarHBondContact O-CB 3.36Å; V13-F16 PolarHBondContact O-N 3.3Å; M14-F16 VanDerWaalsContact C-N 3.33Å; F16-G18 VanDerWaalsContact C-N 3.26Å; F16-G18 PolarHBondContact O-N 2.85Å; F16-F19 VanDerWaalsContact CA-CE1 3.49Å; F16-F19 HydrophobicContact CB-CD1 4.33Å; F16-F19 HydrophobicContact CB-CE1 3.81Å; F16-F19 AromaticContact CD1-CD1 3.97Å; F16-F19 HydrophobicContact CD1-CD1 3.97Å; F16-F19 AromaticContact CD1-CE1 3.47Å; F16-F19 HydrophobicContact CD1-CE1 3.47Å; F16-F19 VanDerWaalsContact CD1-CE1 3.47Å; F16-F19 HydrophobicContact CE1-CE1 4.26Å; F16-F19 AromaticContact CG-CE1 3.85Å; F16-F19 HydrophobicContact CG-CE1 3.85Å; F16-F19 WeakPolarHBondContact O-CD1 3.4Å; F16-F19 PolarHBondContact O-N 3.12Å; F16-S20 WeakPolarHBondContact O-CB 3.34Å; F16-S20 PolarHBondContact O-N 3.46Å
17	V	89	Confident	85.5	Confident	22 Å²	22	56.1 Å²	56.1	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-42	170.3	175	0	0	0	0	110.3	V13 F19 S20 S21 E99	V13-V17 WeakPolarHBondContact O-CG2 3.31Å; V13-V17 PolarHBondContact O-N 3.16Å; V17-F19 PolarHBondContact O-N 3.33Å; V17-S20 PolarHBondContact O-N 3.43Å; V17-S21 PolarHBondContact O-N 2.94Å; V17-S21 VanDerWaalsContact O-N 3.15Å; V17-S21 PolarHBondContact O-OG 3Å; V17-E99 VanDerWaalsContact CG2-OE1 3.32Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.39Å
18	G	84.6	Confident	85.6	Confident	4 Å²	4	50.9 Å²	50.9	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-38.5	-179	0	0	0	0	0	115	M14 G15 F16 S21 P23	M14-G18 PolarHBondContact O-N 3.45Å; G15-G18 PolarHBondContact O-N 3.25Å; F16-G18 VanDerWaalsContact C-N 3.26Å; F16-G18 PolarHBondContact O-N 2.85Å; G18-S21 PolarHBondContact O-OG 3.1Å; G18-P23 WeakPolarHBondContact O-CD 3.33Å; G18-P23 WeakPolarHBondContact O-CG 3.24Å
19	F	84.5	Confident	85.7	Confident	76 Å²	76	49.1 Å²	49.1	33%	0.333	27%	0.274	S	S	.	.	H	α-helix	trans	-85.7	-31.6	175.3	88.9	-98.5	0	0	0	112.2	G15 F16 V17 S21 K22 P23 V31 L32	G15-F19 PolarHBondContact O-N 3.3Å; G15-F19 VanDerWaalsContact O-N 3.12Å; F16-F19 VanDerWaalsContact CA-CE1 3.49Å; F16-F19 HydrophobicContact CB-CD1 4.33Å; F16-F19 HydrophobicContact CB-CE1 3.81Å; F16-F19 AromaticContact CD1-CD1 3.97Å; F16-F19 HydrophobicContact CD1-CD1 3.97Å; F16-F19 AromaticContact CD1-CE1 3.47Å; F16-F19 HydrophobicContact CD1-CE1 3.47Å; F16-F19 VanDerWaalsContact CD1-CE1 3.47Å; F16-F19 HydrophobicContact CE1-CE1 4.26Å; F16-F19 AromaticContact CG-CE1 3.85Å; F16-F19 HydrophobicContact CG-CE1 3.85Å; F16-F19 WeakPolarHBondContact O-CD1 3.4Å; F16-F19 PolarHBondContact O-N 3.12Å; V17-F19 PolarHBondContact O-N 3.33Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.82Å; F19-K22 PolarHBondContact O-N 2.88Å; F19-K22 VanDerWaalsContact O-N 3.13Å; F19-P23 WeakPolarHBondContact O-CD 3.44Å; F19-V31 HydrophobicContact CB-CB 4.42Å; F19-V31 HydrophobicContact CB-CG1 4.39Å; F19-L32 HydrophobicContact CB-CD2 4.14Å; F19-L32 HydrophobicContact CB-CG 4.17Å; F19-L32 HydrophobicContact CD1-CD2 3.45Å; F19-L32 VanDerWaalsContact CD1-CD2 3.45Å; F19-L32 HydrophobicContact CD1-CG 4.38Å; F19-L32 HydrophobicContact CD2-CD2 4.17Å; F19-L32 HydrophobicContact CE1-CD2 3.89Å; F19-L32 HydrophobicContact CG-CD2 3.65Å; F19-L32 HydrophobicContact CG-CG 4.17Å; F19-L32 HydrophobicContact CZ-CD2 4.43Å
20	S	86.4	Confident	85.9	Confident	73 Å²	73	51.6 Å²	51.6	51%	0.51	28%	0.283	S	S	.	.	H	α-helix	trans	-72.3	-19.5	-176.7	-176.9	0	0	0	0	113.2	F16 V17 K22	F16-S20 WeakPolarHBondContact O-CB 3.34Å; F16-S20 PolarHBondContact O-N 3.46Å; V17-S20 PolarHBondContact O-N 3.43Å; S20-K22 PolarHBondContact O-N 2.96Å; S20-K22 VanDerWaalsContact O-N 3.09Å
21	S	82.8	Confident	86.1	Confident	9 Å²	9	50.3 Å²	50.3	6%	0.063	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	0	169.9	58.2	0	0	0	0	113.2	V17 G18 F19 S91	V17-S21 PolarHBondContact O-N 2.94Å; V17-S21 VanDerWaalsContact O-N 3.15Å; V17-S21 PolarHBondContact O-OG 3Å; G18-S21 PolarHBondContact O-OG 3.1Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.82Å; S21-S91 WeakPolarHBondContact CA-OG 3.19Å; S21-S91 WeakPolarHBondContact CB-OG 3.36Å
22	K	81.7	Confident	86.2	Confident	165 Å²	165	50 Å²	50	72%	0.717	27%	0.266	S	S	*	.			trans	53.6	50.6	-179.3	-55.2	-174.3	-174.3	71	0	112.5	F19 S20	F19-K22 PolarHBondContact O-N 2.88Å; F19-K22 VanDerWaalsContact O-N 3.13Å; S20-K22 PolarHBondContact O-N 2.96Å; S20-K22 VanDerWaalsContact O-N 3.09Å
23	P	74.4	Confident	86.4	Confident	9 Å²	9	51.8 Å²	51.8	6%	0.058	28%	0.275	C	S	.	.			trans	-63	159.4	161.9	34.9	-34.7	0	0	0	108.2	G18 F19	G18-P23 WeakPolarHBondContact O-CD 3.33Å; G18-P23 WeakPolarHBondContact O-CG 3.24Å; F19-P23 WeakPolarHBondContact O-CD 3.44Å
24	S	83.1	Confident	86.5	Confident	15 Å²	15	53.2 Å²	53.2	11%	0.105	28%	0.283	C	S	.	.			trans	-48	148.6	179.4	59.4	0	0	0	0	112.4	I26 Y27 G28 E80	S24-I26 PolarHBondContact O-N 3.25Å; S24-Y27 PolarHBondContact O-N 2.96Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.37Å; S24-G28 PolarHBondContact O-N 3.33Å; S24-E80 PolarHBondContact OG-O 3.3Å
25	P	85.6	Confident	86.8	Confident	73 Å²	73	49.5 Å²	49.5	47%	0.474	27%	0.265	S	S	.	.	H	α-helix	trans	-54.8	-26.3	-168.1	-29.4	35.7	0	0	0	115.6	G29 F67 T71	P25-G29 PolarHBondContact O-N 2.91Å; P25-F67 HydrophobicContact CB-CZ 4.06Å; P25-F67 WeakPolarHBondContact O-CE1 3.45Å; P25-T71 HydrophobicContact CB-CG2 3.38Å; P25-T71 HydrophobicContact CG-CG2 4.46Å
26	I	85.3	Confident	87	Confident	76 Å²	76	49.4 Å²	49.4	39%	0.39	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-49.7	175.5	-63	161.5	0	0	0	110.8	S24 G29 L30 I75	S24-I26 PolarHBondContact O-N 3.25Å; I26-G29 PolarHBondContact O-N 2.91Å; I26-L30 PolarHBondContact O-N 3.23Å; I26-I75 HydrophobicContact CD1-CD1 4.25Å; I26-I75 HydrophobicContact CD1-CG1 4.26Å
27	Y	86.1	Confident	87.2	Confident	83 Å²	83	47.9 Å²	47.9	33%	0.325	26%	0.263	S	S	.	.	H	α-helix	trans	-69.3	-39.1	177.8	-68.2	-58.8	0	0	0	111.6	S24 G29 L30 V31 E80 W82	S24-Y27 PolarHBondContact O-N 2.96Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.37Å; Y27-G29 VanDerWaalsContact C-N 3.27Å; Y27-G29 PolarHBondContact O-N 2.99Å; Y27-L30 HydrophobicContact CD1-CD1 4.39Å; Y27-L30 PolarHBondContact O-N 2.96Å; Y27-V31 WeakPolarHBondContact O-CG2 3.33Å; Y27-V31 PolarHBondContact O-N 2.9Å; Y27-V31 VanDerWaalsContact O-N 3.1Å; Y27-E80 WeakPolarHBondContact CD2-O 3.21Å; Y27-E80 WeakPolarHBondContact CE2-O 3.42Å; Y27-W82 AromaticContact CD1-CD1 3.98Å; Y27-W82 AromaticContact CD1-NE1 3.62Å; Y27-W82 AromaticContact CG-CD1 3.82Å; Y27-W82 AromaticContact CG-NE1 3.53Å
28	G	86.3	Confident	87.4	Confident	8 Å²	8	48.1 Å²	48.1	8%	0.082	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-44.4	172.2	0	0	0	0	0	111.5	S24 L30 V31 L32	S24-G28 PolarHBondContact O-N 3.33Å; G28-L30 PolarHBondContact O-N 2.95Å; G28-V31 PolarHBondContact O-N 3.38Å; G28-L32 WeakPolarHBondContact O-CB 3.48Å; G28-L32 VanDerWaalsContact O-CG 3.3Å; G28-L32 WeakPolarHBondContact O-CG 3.4Å; G28-L32 PolarHBondContact O-N 2.88Å
29	G	87.8	Confident	87.7	Confident	9 Å²	9	48.6 Å²	48.6	9%	0.093	27%	0.269	C	S	.	.	H	α-helix	trans	-58.6	-44.5	175.9	0	0	0	0	0	113.6	P25 I26 Y27 V31 L32 I33 M64	P25-G29 PolarHBondContact O-N 2.91Å; I26-G29 PolarHBondContact O-N 2.91Å; Y27-G29 VanDerWaalsContact C-N 3.27Å; Y27-G29 PolarHBondContact O-N 2.99Å; G29-V31 PolarHBondContact O-N 3.16Å; G29-L32 PolarHBondContact O-N 3.01Å; G29-I33 WeakPolarHBondContact O-CG1 3.39Å; G29-I33 PolarHBondContact O-N 3.29Å; G29-M64 WeakPolarHBondContact O-CE 3.32Å
30	L	87.9	Confident	88.1	Confident	99 Å²	99	45.3 Å²	45.3	52%	0.518	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-43.9	177.1	-67.9	175.2	0	0	0	112.1	I26 Y27 G28 I33 V34	I26-L30 PolarHBondContact O-N 3.23Å; Y27-L30 HydrophobicContact CD1-CD1 4.39Å; Y27-L30 PolarHBondContact O-N 2.96Å; G28-L30 PolarHBondContact O-N 2.95Å; L30-I33 PolarHBondContact O-N 3.09Å; L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 3.14Å; L30-V34 VanDerWaalsContact O-N 3.09Å
31	V	91.3	Very high	88.3	Confident	16 Å²	16	44.4 Å²	44.4	10%	0.097	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-38	178.9	-177.8	0	0	0	0	111.6	G15 F19 Y27 G28 G29 I33 V34 S35 W82	G15-V31 WeakPolarHBondContact O-CG1 3.43Å; F19-V31 HydrophobicContact CB-CB 4.42Å; F19-V31 HydrophobicContact CB-CG1 4.39Å; Y27-V31 WeakPolarHBondContact O-CG2 3.33Å; Y27-V31 PolarHBondContact O-N 2.9Å; Y27-V31 VanDerWaalsContact O-N 3.1Å; G28-V31 PolarHBondContact O-N 3.38Å; G29-V31 PolarHBondContact O-N 3.16Å; V31-I33 VanDerWaalsContact C-N 3.28Å; V31-I33 PolarHBondContact O-N 3.27Å; V31-V34 PolarHBondContact O-N 2.99Å; V31-S35 WeakPolarHBondContact O-CB 3.36Å; V31-S35 PolarHBondContact O-N 3.13Å; V31-S35 PolarHBondContact O-OG 3.16Å; V31-W82 HydrophobicContact CG2-CH2 3.53Å; V31-W82 HydrophobicContact CG2-CZ2 3.25Å
32	L	90.8	Very high	88.7	Confident	27 Å²	27	45.3 Å²	45.3	14%	0.141	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-34.1	174.6	-73.3	177.9	0	0	0	112.1	F19 G28 G29 S35 G36 M64	F19-L32 HydrophobicContact CB-CD2 4.14Å; F19-L32 HydrophobicContact CB-CG 4.17Å; F19-L32 HydrophobicContact CD1-CD2 3.45Å; F19-L32 VanDerWaalsContact CD1-CD2 3.45Å; F19-L32 HydrophobicContact CD1-CG 4.38Å; F19-L32 HydrophobicContact CD2-CD2 4.17Å; F19-L32 HydrophobicContact CE1-CD2 3.89Å; F19-L32 HydrophobicContact CG-CD2 3.65Å; F19-L32 HydrophobicContact CG-CG 4.17Å; F19-L32 HydrophobicContact CZ-CD2 4.43Å; G28-L32 WeakPolarHBondContact O-CB 3.48Å; G28-L32 VanDerWaalsContact O-CG 3.3Å; G28-L32 WeakPolarHBondContact O-CG 3.4Å; G28-L32 PolarHBondContact O-N 2.88Å; G29-L32 PolarHBondContact O-N 3.01Å; L32-S35 WeakPolarHBondContact CA-OG 3.47Å; L32-S35 PolarHBondContact O-OG 2.89Å; L32-G36 PolarHBondContact O-N 3.45Å; L32-M64 HydrophobicContact CB-CE 3.61Å; L32-M64 HydrophobicContact CB-SD 4Å; L32-M64 HydrophobicContact CD1-CE 3.97Å; L32-M64 HydrophobicContact CD1-SD 4.13Å; L32-M64 HydrophobicContact CG-CE 4.45Å
33	I	93.3	Very high	89	Confident	73 Å²	73	39.9 Å²	39.9	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-48.6	173.6	-67.3	163.4	0	0	0	110.5	G29 L30 V31 G36 V37 L60 M64	G29-I33 WeakPolarHBondContact O-CG1 3.39Å; G29-I33 PolarHBondContact O-N 3.29Å; L30-I33 PolarHBondContact O-N 3.09Å; V31-I33 VanDerWaalsContact C-N 3.28Å; V31-I33 PolarHBondContact O-N 3.27Å; I33-G36 PolarHBondContact O-N 3.32Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.45Å; I33-L60 HydrophobicContact CB-CD2 4.21Å; I33-L60 HydrophobicContact CG1-CD2 4.21Å; I33-L60 HydrophobicContact CG2-CD2 4.21Å; I33-M64 HydrophobicContact CG1-CB 4.5Å; I33-M64 HydrophobicContact CG1-CE 4.39Å; I33-M64 HydrophobicContact CG1-CG 4.48Å
34	V	93	Very high	89.6	Confident	95 Å²	95	43.6 Å²	43.6	58%	0.576	25%	0.248	S	C	*	.	H	α-helix	trans	-60.9	-48.3	179.7	175.9	0	0	0	0	111.1	L30 V31 G36 V37 V38	L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 3.14Å; L30-V34 VanDerWaalsContact O-N 3.09Å; V31-V34 PolarHBondContact O-N 2.99Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 2.94Å; V34-V37 PolarHBondContact O-N 3.37Å; V34-V38 WeakPolarHBondContact O-CG2 3.17Å; V34-V38 PolarHBondContact O-N 3.38Å
35	S	92.7	Very high	89.7	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.028	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-37	177.7	52.5	0	0	0	0	112.6	V31 L32 V38 G39	V31-S35 WeakPolarHBondContact O-CB 3.36Å; V31-S35 PolarHBondContact O-N 3.13Å; V31-S35 PolarHBondContact O-OG 3.16Å; L32-S35 WeakPolarHBondContact CA-OG 3.47Å; L32-S35 PolarHBondContact O-OG 2.89Å; S35-V38 PolarHBondContact O-N 3.39Å; S35-G39 PolarHBondContact O-N 3.11Å
36	G	92.3	Very high	89.5	Confident	9 Å²	9	47.4 Å²	47.4	9%	0.093	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-40.7	173.5	0	0	0	0	0	112.8	L32 I33 V34 G39 C40	L32-G36 PolarHBondContact O-N 3.45Å; I33-G36 PolarHBondContact O-N 3.32Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 2.94Å; G36-G39 PolarHBondContact O-N 2.97Å; G36-C40 PolarHBondContact O-N 3.31Å; G36-C40 PolarHBondContact O-SG 2.99Å
37	V	93.4	Very high	89.3	Confident	61 Å²	61	45 Å²	45	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-45.2	174.6	173.5	0	0	0	0	110.9	I33 V34 G39 C40 V41 L60	I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.45Å; V34-V37 PolarHBondContact O-N 3.37Å; V37-G39 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 3.38Å; V37-C40 WeakPolarHBondContact O-CB 3.3Å; V37-C40 PolarHBondContact O-N 2.93Å; V37-V41 WeakPolarHBondContact O-CG2 3.4Å; V37-V41 PolarHBondContact O-N 3Å; V37-L60 HydrophobicContact CG2-CD1 3.7Å
38	V	93.3	Very high	89.2	Confident	27 Å²	27	41.3 Å²	41.3	16%	0.164	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-42.2	175.7	175.8	0	0	0	0	110.8	L8 L12 V34 S35 C40 V41 I42	L8-V38 HydrophobicContact CB-CG1 4.35Å; L8-V38 HydrophobicContact CD2-CG1 4.06Å; L8-V38 VanDerWaalsContact O-CG1 3.26Å; L8-V38 WeakPolarHBondContact O-CG1 3.41Å; L12-V38 HydrophobicContact CB-CG1 4.14Å; V34-V38 WeakPolarHBondContact O-CG2 3.17Å; V34-V38 PolarHBondContact O-N 3.38Å; S35-V38 PolarHBondContact O-N 3.39Å; V38-C40 PolarHBondContact O-N 2.94Å; V38-V41 PolarHBondContact O-N 3.37Å; V38-I42 HydrophobicContact CG1-CD1 4.16Å; V38-I42 WeakPolarHBondContact O-CG1 3.49Å; V38-I42 PolarHBondContact O-N 2.91Å
39	G	90.9	Very high	89.2	Confident	14 Å²	14	41.3 Å²	41.3	14%	0.144	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-44.4	173.7	0	0	0	0	0	113	S35 G36 V37 V41 I42 I43	S35-G39 PolarHBondContact O-N 3.11Å; G36-G39 PolarHBondContact O-N 2.97Å; V37-G39 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 3.38Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.32Å; G39-I42 PolarHBondContact O-N 3.06Å; G39-I43 WeakPolarHBondContact O-CG1 3.36Å; G39-I43 PolarHBondContact O-N 2.93Å; G39-I43 VanDerWaalsContact O-N 3.1Å
40	C	91.7	Very high	89.2	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-43.1	174.9	-64.8	0	0	0	0	111.3	G36 V37 V38 I42 I43 L44	G36-C40 PolarHBondContact O-N 3.31Å; G36-C40 PolarHBondContact O-SG 2.99Å; V37-C40 WeakPolarHBondContact O-CB 3.3Å; V37-C40 PolarHBondContact O-N 2.93Å; V38-C40 PolarHBondContact O-N 2.94Å; C40-I42 VanDerWaalsContact C-N 3.32Å; C40-I42 PolarHBondContact O-N 3.18Å; C40-I43 PolarHBondContact O-N 3.47Å; C40-L44 WeakPolarHBondContact O-CB 3.38Å; C40-L44 VanDerWaalsContact O-CG 3.25Å; C40-L44 WeakPolarHBondContact O-CG 3.24Å; C40-L44 PolarHBondContact O-N 3.36Å
41	V	91.2	Very high	89.2	Confident	54 Å²	54	45.9 Å²	45.9	33%	0.327	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-41.4	177.1	172.9	0	0	0	0	110.9	L8 V37 V38 G39 I43 L44 N45	L8-V41 HydrophobicContact CD1-CG1 3.89Å; L8-V41 HydrophobicContact CD2-CG1 4.17Å; V37-V41 WeakPolarHBondContact O-CG2 3.4Å; V37-V41 PolarHBondContact O-N 3Å; V38-V41 PolarHBondContact O-N 3.37Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.32Å; V41-I43 PolarHBondContact O-N 3.31Å; V41-L44 PolarHBondContact O-N 2.99Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.16Å; V41-N45 PolarHBondContact O-N 3.27Å; V41-N45 PolarHBondContact O-ND2 3.3Å
42	I	89.8	Confident	89.1	Confident	28 Å²	28	45.2 Å²	45.2	14%	0.144	25%	0.25	C	S	.	.	H	α-helix	trans	-59	-48.9	176	-67.6	163.3	0	0	0	110.5	L8 L12 V38 G39 C40 L44 N45 F46	L8-I42 HydrophobicContact CB-CD1 4.15Å; L8-I42 HydrophobicContact CB-CG1 3.77Å; L8-I42 HydrophobicContact CD1-CG1 4.48Å; L12-I42 HydrophobicContact CB-CD1 4.31Å; L12-I42 HydrophobicContact CD1-CD1 3.84Å; V38-I42 HydrophobicContact CG1-CD1 4.16Å; V38-I42 WeakPolarHBondContact O-CG1 3.49Å; V38-I42 PolarHBondContact O-N 2.91Å; G39-I42 PolarHBondContact O-N 3.06Å; C40-I42 VanDerWaalsContact C-N 3.32Å; C40-I42 PolarHBondContact O-N 3.18Å; I42-L44 PolarHBondContact O-N 2.98Å; I42-N45 PolarHBondContact O-N 2.99Å; I42-F46 HydrophobicContact CG2-CD2 4.01Å; I42-F46 HydrophobicContact CG2-CE2 3.64Å; I42-F46 WeakPolarHBondContact O-CD2 3.4Å; I42-F46 PolarHBondContact O-N 3.27Å
43	I	88.4	Confident	89.2	Confident	52 Å²	52	48.7 Å²	48.7	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-40.1	-179.7	-59.8	164	0	0	0	111.4	G39 C40 V41 N45 F46 G47 G48 M51 V55	G39-I43 WeakPolarHBondContact O-CG1 3.36Å; G39-I43 PolarHBondContact O-N 2.93Å; G39-I43 VanDerWaalsContact O-N 3.1Å; C40-I43 PolarHBondContact O-N 3.47Å; V41-I43 PolarHBondContact O-N 3.31Å; I43-N45 VanDerWaalsContact C-N 3.3Å; I43-N45 PolarHBondContact O-N 3.07Å; I43-F46 CarbonylContact O-C 3.36Å; I43-F46 WeakPolarHBondContact O-CA 3.49Å; I43-F46 PolarHBondContact O-N 3.47Å; I43-G47 PolarHBondContact O-N 3.23Å; I43-G48 WeakPolarHBondContact CG2-O 3.28Å; I43-G48 PolarHBondContact O-N 3.43Å; I43-G48 VanDerWaalsContact O-N 3.1Å; I43-M51 HydrophobicContact CG2-CB 4.07Å; I43-V55 HydrophobicContact CD1-CG2 4.38Å
44	L	87.3	Confident	89.1	Confident	86 Å²	86	48.4 Å²	48.4	45%	0.45	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-36.2	177.6	-71.9	174.7	0	0	0	112.3	C40 V41 I42 F46 G47	C40-L44 WeakPolarHBondContact O-CB 3.38Å; C40-L44 VanDerWaalsContact O-CG 3.25Å; C40-L44 WeakPolarHBondContact O-CG 3.24Å; C40-L44 PolarHBondContact O-N 3.36Å; V41-L44 PolarHBondContact O-N 2.99Å; I42-L44 PolarHBondContact O-N 2.98Å; L44-F46 PolarHBondContact O-N 2.88Å; L44-G47 PolarHBondContact O-N 2.92Å; L44-G47 VanDerWaalsContact O-N 3.08Å
45	N	85.5	Confident	89.1	Confident	81 Å²	81	46.6 Å²	46.6	43%	0.433	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-26.7	174.5	-79.3	-74.6	0	0	0	112.1	L5 V41 I42 I43 G47 Y127	L5-N45 HydrophobicContact CD2-CB 3.56Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.16Å; V41-N45 PolarHBondContact O-N 3.27Å; V41-N45 PolarHBondContact O-ND2 3.3Å; I42-N45 PolarHBondContact O-N 2.99Å; I43-N45 VanDerWaalsContact C-N 3.3Å; I43-N45 PolarHBondContact O-N 3.07Å; N45-G47 VanDerWaalsContact C-N 3.26Å; N45-Y127 WeakPolarHBondContact O-CE2 3.11Å; N45-Y127 PolarHBondContact O-OH 2.91Å
46	F	81.7	Confident	89	Confident	88 Å²	88	51.2 Å²	51.2	39%	0.386	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	6.6	172	-69.6	-64.6	0	0	0	114.3	L5 I42 I43 L44 G48 Y127	L5-F46 HydrophobicContact CD1-CE1 3.97Å; L5-F46 HydrophobicContact CD1-CE2 4.46Å; L5-F46 HydrophobicContact CD1-CZ 3.83Å; I42-F46 HydrophobicContact CG2-CD2 4.01Å; I42-F46 HydrophobicContact CG2-CE2 3.64Å; I42-F46 WeakPolarHBondContact O-CD2 3.4Å; I42-F46 PolarHBondContact O-N 3.27Å; I43-F46 CarbonylContact O-C 3.36Å; I43-F46 WeakPolarHBondContact O-CA 3.49Å; I43-F46 PolarHBondContact O-N 3.47Å; L44-F46 PolarHBondContact O-N 2.88Å; F46-G48 PolarHBondContact O-N 2.91Å; F46-Y127 VanDerWaalsContact CA-CE2 3.48Å; F46-Y127 HydrophobicContact CB-CE2 4.48Å; F46-Y127 HydrophobicContact CD1-CD2 4.17Å; F46-Y127 HydrophobicContact CD1-CE2 4.11Å; F46-Y127 PolarHBondContact O-OH 3.19Å
47	G	80.8	Confident	89.1	Confident	24 Å²	24	56 Å²	56	25%	0.247	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	3.4	178.7	0	0	0	0	0	113.3	I43 L44 N45 G49 Y127 R136	I43-G47 PolarHBondContact O-N 3.23Å; L44-G47 PolarHBondContact O-N 2.92Å; L44-G47 VanDerWaalsContact O-N 3.08Å; N45-G47 VanDerWaalsContact C-N 3.26Å; G47-G49 VanDerWaalsContact C-N 3.27Å; G47-G49 PolarHBondContact O-N 2.92Å; G47-Y127 VanDerWaalsContact CA-OH 3.28Å; G47-Y127 WeakPolarHBondContact CA-OH 3.2Å; G47-Y127 PolarHBondContact N-OH 2.95Å; G47-R136 PolarHBondContact O-NH2 3.44Å
48	G	84.5	Confident	89.1	Confident	7 Å²	7	57.6 Å²	57.6	7%	0.072	30%	0.304	C	S	.	.			trans	-76	62.6	177.9	0	0	0	0	0	113.2	I43 F46 G52 D138	I43-G48 WeakPolarHBondContact CG2-O 3.28Å; I43-G48 PolarHBondContact O-N 3.43Å; I43-G48 VanDerWaalsContact O-N 3.1Å; F46-G48 PolarHBondContact O-N 2.91Å; G48-G52 PolarHBondContact O-N 3.43Å; G48-D138 WeakPolarHBondContact CA-OD2 3.25Å
49	G	85.1	Confident	89.1	Confident	7 Å²	7	59.5 Å²	59.5	7%	0.072	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-52	-174	0	0	0	0	0	112.9	G47 L53 R136 D138	G47-G49 VanDerWaalsContact C-N 3.27Å; G47-G49 PolarHBondContact O-N 2.92Å; G49-L53 WeakPolarHBondContact O-CB 3.33Å; G49-L53 VanDerWaalsContact O-CG 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.49Å; G49-L53 PolarHBondContact O-N 3.48Å; G49-R136 VanDerWaalsContact CA-NH2 3.34Å; G49-R136 VanDerWaalsContact N-NH2 3.18Å; G49-D138 PolarHBondContact N-OD2 3.44Å
50	Y	87.9	Confident	89.1	Confident	95 Å²	95	59.8 Å²	59.8	37%	0.373	31%	0.307	S	S	.	.	H	α-helix	trans	-67.7	-44.7	-179.9	175.9	-98.4	0	0	0	110.9	G52 L53 M54 D138 A142	Y50-G52 PolarHBondContact O-N 3.28Å; Y50-L53 PolarHBondContact O-N 3.49Å; Y50-M54 HydrophobicContact CD1-CG 4.1Å; Y50-M54 HydrophobicContact CD2-CG 4.34Å; Y50-M54 HydrophobicContact CE1-CG 3.73Å; Y50-M54 HydrophobicContact CE1-SD 4.5Å; Y50-M54 HydrophobicContact CE2-CG 4Å; Y50-M54 HydrophobicContact CE2-SD 4.06Å; Y50-M54 HydrophobicContact CG-CG 4.39Å; Y50-M54 VanDerWaalsContact O-CG 3.26Å; Y50-M54 WeakPolarHBondContact O-CG 3.4Å; Y50-M54 PolarHBondContact O-N 2.96Å; Y50-D138 PolarHBondContact N-OD2 2.88Å; Y50-A142 HydrophobicContact CD1-CB 4Å; Y50-A142 HydrophobicContact CE1-CB 3.38Å
51	M	88.3	Confident	89.1	Confident	109 Å²	109	61.8 Å²	61.8	54%	0.537	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-44.7	-178.8	-66.4	-63.1	-76.7	0	0	112.1	I43 M54 V55 D138	I43-M51 HydrophobicContact CG2-CB 4.07Å; M51-M54 PolarHBondContact O-N 3.12Å; M51-V55 PolarHBondContact O-N 3.43Å; M51-D138 HydrophobicContact CG-CB 4.35Å
52	G	90.1	Very high	89.1	Confident	2 Å²	2	60.7 Å²	60.7	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-41.9	176.8	0	0	0	0	0	112.7	G48 Y50 V55 F56	G48-G52 PolarHBondContact O-N 3.43Å; Y50-G52 PolarHBondContact O-N 3.28Å; G52-V55 PolarHBondContact O-N 3.43Å; G52-F56 PolarHBondContact O-N 3.02Å
53	L	91.2	Very high	89.2	Confident	100 Å²	100	64.5 Å²	64.5	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-68.8	-35.3	178.1	-71.2	173.3	0	0	0	112.9	G49 Y50 V55 F56 L57	G49-L53 WeakPolarHBondContact O-CB 3.33Å; G49-L53 VanDerWaalsContact O-CG 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.49Å; G49-L53 PolarHBondContact O-N 3.48Å; Y50-L53 PolarHBondContact O-N 3.49Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 2.96Å; L53-F56 WeakPolarHBondContact O-CB 3.25Å; L53-F56 PolarHBondContact O-N 3.46Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 2.92Å
54	M	92.9	Very high	89.3	Confident	68 Å²	68	62.8 Å²	62.8	34%	0.335	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-39.9	175.3	-72	-65.2	-77	0	0	111.7	Y50 M51 L57 I58	Y50-M54 HydrophobicContact CD1-CG 4.1Å; Y50-M54 HydrophobicContact CD2-CG 4.34Å; Y50-M54 HydrophobicContact CE1-CG 3.73Å; Y50-M54 HydrophobicContact CE1-SD 4.5Å; Y50-M54 HydrophobicContact CE2-CG 4Å; Y50-M54 HydrophobicContact CE2-SD 4.06Å; Y50-M54 HydrophobicContact CG-CG 4.39Å; Y50-M54 VanDerWaalsContact O-CG 3.26Å; Y50-M54 WeakPolarHBondContact O-CG 3.4Å; Y50-M54 PolarHBondContact O-N 2.96Å; M51-M54 PolarHBondContact O-N 3.12Å; M54-L57 PolarHBondContact O-N 3.5Å; M54-I58 HydrophobicContact CE-CD1 3.7Å; M54-I58 WeakPolarHBondContact O-CB 3.36Å; M54-I58 WeakPolarHBondContact O-CG1 3.45Å; M54-I58 PolarHBondContact O-N 2.91Å
55	V	92.4	Very high	89.5	Confident	56 Å²	56	63.2 Å²	63.2	34%	0.339	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-47.2	171.7	176.1	0	0	0	0	110.3	I43 M51 G52 L53 L57 Y59	I43-V55 HydrophobicContact CD1-CG2 4.38Å; M51-V55 PolarHBondContact O-N 3.43Å; G52-V55 PolarHBondContact O-N 3.43Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 2.96Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 3.15Å; V55-Y59 WeakPolarHBondContact O-CA 3.3Å; V55-Y59 WeakPolarHBondContact O-CB 3.46Å; V55-Y59 PolarHBondContact O-N 2.92Å
56	F	91.3	Very high	89.8	Confident	101 Å²	101	63.9 Å²	63.9	44%	0.443	35%	0.35	S	S	.	.	I	π-helix	trans	-56.1	-43.4	178.3	-171.9	-92.4	0	0	0	112.2	G52 L53 L60 G61	G52-F56 PolarHBondContact O-N 3.02Å; L53-F56 WeakPolarHBondContact O-CB 3.25Å; L53-F56 PolarHBondContact O-N 3.46Å; F56-L60 HydrophobicContact CD2-CD1 3.56Å; F56-L60 HydrophobicContact CE2-CD1 3.85Å; F56-L60 HydrophobicContact CG-CD1 4.35Å; F56-L60 VanDerWaalsContact O-CB 3.29Å; F56-L60 WeakPolarHBondContact O-CB 3.32Å; F56-L60 PolarHBondContact O-N 2.93Å; F56-G61 PolarHBondContact O-N 3.34Å; F56-G61 VanDerWaalsContact O-N 3.12Å
57	L	93	Very high	90.1	Very high	110 Å²	110	63.5 Å²	63.5	58%	0.576	35%	0.348	S	S	*	.	I	π-helix	trans	-75.8	-52.4	-178.9	-67.5	173.6	0	0	0	112.8	L53 M54 V55 G61 G62	L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 2.92Å; M54-L57 PolarHBondContact O-N 3.5Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 3.15Å; L57-G61 CarbonylContact O-C 3.06Å; L57-G61 WeakPolarHBondContact O-CA 3.39Å; L57-G61 PolarHBondContact O-N 2.98Å; L57-G61 VanDerWaalsContact O-N 3.13Å; L57-G62 PolarHBondContact O-N 3.29Å
58	I	94.8	Very high	90.5	Very high	95 Å²	95	64 Å²	64	49%	0.487	35%	0.354	S	S	.	.	I	π-helix	trans	-76.5	-43.4	-171.3	-60.9	171	0	0	0	111	M54 G62 M63	M54-I58 HydrophobicContact CE-CD1 3.7Å; M54-I58 WeakPolarHBondContact O-CB 3.36Å; M54-I58 WeakPolarHBondContact O-CG1 3.45Å; M54-I58 PolarHBondContact O-N 2.91Å; I58-G62 VanDerWaalsContact O-CA 3.25Å; I58-G62 WeakPolarHBondContact O-CA 3.16Å; I58-G62 PolarHBondContact O-N 3.26Å; I58-M63 PolarHBondContact O-N 3.13Å
59	Y	93.1	Very high	90.7	Very high	67 Å²	67	71.2 Å²	71.2	26%	0.263	38%	0.38	S	S	.	.	I	π-helix	trans	-79	-62.2	-178.1	-176.7	-95.9	0	0	0	111	V55 M63 M64	V55-Y59 WeakPolarHBondContact O-CA 3.3Å; V55-Y59 WeakPolarHBondContact O-CB 3.46Å; V55-Y59 PolarHBondContact O-N 2.92Å; Y59-M63 HydrophobicContact CD2-CE 3.56Å; Y59-M63 HydrophobicContact CE2-CE 4.44Å; Y59-M63 HydrophobicContact CG-CE 4.3Å; Y59-M63 PolarHBondContact O-N 3.12Å; Y59-M64 HydrophobicContact CD1-CG 4.26Å; Y59-M64 HydrophobicContact CE1-CG 4.02Å; Y59-M64 HydrophobicContact CE1-SD 4.19Å; Y59-M64 WeakPolarHBondContact O-CG 3.29Å; Y59-M64 PolarHBondContact O-N 3.25Å
60	L	90.5	Very high	90.7	Very high	20 Å²	20	74.2 Å²	74.2	11%	0.105	40%	0.397	C	S	.	.	I	π-helix	trans	-73.1	-43.1	-176	-59.5	173.8	0	0	0	112.3	I33 V37 F56 M64	I33-L60 HydrophobicContact CB-CD2 4.21Å; I33-L60 HydrophobicContact CG1-CD2 4.21Å; I33-L60 HydrophobicContact CG2-CD2 4.21Å; V37-L60 HydrophobicContact CG2-CD1 3.7Å; F56-L60 HydrophobicContact CD2-CD1 3.56Å; F56-L60 HydrophobicContact CE2-CD1 3.85Å; F56-L60 HydrophobicContact CG-CD1 4.35Å; F56-L60 VanDerWaalsContact O-CB 3.29Å; F56-L60 WeakPolarHBondContact O-CB 3.32Å; F56-L60 PolarHBondContact O-N 2.93Å; L60-M64 HydrophobicContact CD2-CG 4.43Å
61	G	90.6	Very high	90.6	Very high	47 Å²	47	70.6 Å²	70.6	49%	0.485	39%	0.385	S	S	.	.	I	π-helix	trans	-80.4	-30.2	-179.5	0	0	0	0	0	114.5	F56 L57 V65	F56-G61 PolarHBondContact O-N 3.34Å; F56-G61 VanDerWaalsContact O-N 3.12Å; L57-G61 CarbonylContact O-C 3.06Å; L57-G61 WeakPolarHBondContact O-CA 3.39Å; L57-G61 PolarHBondContact O-N 2.98Å; L57-G61 VanDerWaalsContact O-N 3.13Å; G61-V65 WeakPolarHBondContact O-CG2 2.96Å
62	G	91.8	Very high	90.4	Very high	31 Å²	31	68.1 Å²	68.1	32%	0.32	38%	0.382	S	S	.	.	I	π-helix	trans	-97.3	-78.4	-176.5	0	0	0	0	0	112.5	L57 I58 M64 V65 V66	L57-G62 PolarHBondContact O-N 3.29Å; I58-G62 VanDerWaalsContact O-CA 3.25Å; I58-G62 WeakPolarHBondContact O-CA 3.16Å; I58-G62 PolarHBondContact O-N 3.26Å; G62-M64 PolarHBondContact O-N 3.48Å; G62-V65 PolarHBondContact O-N 3.44Å; G62-V66 PolarHBondContact O-N 2.98Å
63	M	92.8	Very high	90.2	Very high	108 Å²	108	74.5 Å²	74.5	53%	0.532	41%	0.413	S	S	.	.	I	π-helix	trans	-64.8	-41.4	-169.9	-67.7	-172.8	-70.8	0	0	113	I58 Y59 V65 V66 F67	I58-M63 PolarHBondContact O-N 3.13Å; Y59-M63 HydrophobicContact CD2-CE 3.56Å; Y59-M63 HydrophobicContact CE2-CE 4.44Å; Y59-M63 HydrophobicContact CG-CE 4.3Å; Y59-M63 PolarHBondContact O-N 3.12Å; M63-V65 VanDerWaalsContact C-N 3.29Å; M63-V65 PolarHBondContact O-N 3.4Å; M63-V66 PolarHBondContact O-N 3.01Å; M63-F67 WeakPolarHBondContact O-CB 3.17Å; M63-F67 PolarHBondContact O-N 3.09Å
64	M	89.8	Confident	89.6	Confident	17 Å²	17	73.5 Å²	73.5	8%	0.084	42%	0.419	C	S	.	.	H	α-helix	trans	-66.7	-30	-179.8	-68.7	-52.3	-57.9	0	0	113	G29 L32 I33 Y59 L60 G62 F67 G68	G29-M64 WeakPolarHBondContact O-CE 3.32Å; L32-M64 HydrophobicContact CB-CE 3.61Å; L32-M64 HydrophobicContact CB-SD 4Å; L32-M64 HydrophobicContact CD1-CE 3.97Å; L32-M64 HydrophobicContact CD1-SD 4.13Å; L32-M64 HydrophobicContact CG-CE 4.45Å; I33-M64 HydrophobicContact CG1-CB 4.5Å; I33-M64 HydrophobicContact CG1-CE 4.39Å; I33-M64 HydrophobicContact CG1-CG 4.48Å; Y59-M64 HydrophobicContact CD1-CG 4.26Å; Y59-M64 HydrophobicContact CE1-CG 4.02Å; Y59-M64 HydrophobicContact CE1-SD 4.19Å; Y59-M64 WeakPolarHBondContact O-CG 3.29Å; Y59-M64 PolarHBondContact O-N 3.25Å; L60-M64 HydrophobicContact CD2-CG 4.43Å; G62-M64 PolarHBondContact O-N 3.48Å; M64-F67 HydrophobicContact CE-CD1 3.97Å; M64-G68 PolarHBondContact O-N 2.89Å
65	V	92	Very high	89	Confident	94 Å²	94	75.2 Å²	75.2	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-71.1	-46	176.8	178	0	0	0	0	110.6	G61 G62 M63 F67 G68 Y69	G61-V65 WeakPolarHBondContact O-CG2 2.96Å; G62-V65 PolarHBondContact O-N 3.44Å; M63-V65 VanDerWaalsContact C-N 3.29Å; M63-V65 PolarHBondContact O-N 3.4Å; V65-F67 VanDerWaalsContact C-N 3.3Å; V65-F67 PolarHBondContact O-N 3.2Å; V65-G68 PolarHBondContact O-N 3.1Å; V65-Y69 PolarHBondContact O-N 3.17Å
66	V	91.1	Very high	88.3	Confident	95 Å²	95	79.7 Å²	79.7	58%	0.576	45%	0.445	S	S	*	.	H	α-helix	trans	-62.7	-41.1	175.1	-179.7	0	0	0	0	110.4	G62 M63 Y69 T70	G62-V66 PolarHBondContact O-N 2.98Å; M63-V66 PolarHBondContact O-N 3.01Å; V66-Y69 PolarHBondContact O-N 3.17Å; V66-T70 WeakPolarHBondContact O-CG2 3.4Å; V66-T70 PolarHBondContact O-N 2.95Å; V66-T70 PolarHBondContact O-OG1 3.46Å
67	F	88.8	Confident	87.4	Confident	80 Å²	80	83.5 Å²	83.5	35%	0.351	47%	0.465	S	S	.	.	H	α-helix	trans	-57.3	-54	173.9	179.4	-104.9	0	0	0	111.2	P25 M63 M64 V65 Y69 T70 T71	P25-F67 HydrophobicContact CB-CZ 4.06Å; P25-F67 WeakPolarHBondContact O-CE1 3.45Å; M63-F67 WeakPolarHBondContact O-CB 3.17Å; M63-F67 PolarHBondContact O-N 3.09Å; M64-F67 HydrophobicContact CE-CD1 3.97Å; V65-F67 VanDerWaalsContact C-N 3.3Å; V65-F67 PolarHBondContact O-N 3.2Å; F67-Y69 PolarHBondContact O-N 3.26Å; F67-T70 PolarHBondContact O-N 3.28Å; F67-T70 VanDerWaalsContact O-N 3.1Å; F67-T70 PolarHBondContact O-OG1 2.9Å; F67-T71 HydrophobicContact CD1-CG2 4.15Å; F67-T71 HydrophobicContact CD2-CG2 4.28Å; F67-T71 HydrophobicContact CE1-CG2 3.81Å; F67-T71 HydrophobicContact CE2-CG2 3.95Å; F67-T71 HydrophobicContact CG-CG2 4.38Å; F67-T71 HydrophobicContact CZ-CG2 3.71Å; F67-T71 WeakPolarHBondContact O-CG2 3.29Å; F67-T71 PolarHBondContact O-N 3.5Å; F67-T71 PolarHBondContact O-OG1 2.88Å
68	G	88.3	Confident	86.4	Confident	36 Å²	36	87.7 Å²	87.7	37%	0.371	47%	0.474	S	S	.	.	H	α-helix	trans	-57.6	-34.1	177	0	0	0	0	0	114.1	M64 V65 T71 A72	M64-G68 PolarHBondContact O-N 2.89Å; V65-G68 PolarHBondContact O-N 3.1Å; G68-T71 WeakPolarHBondContact CA-OG1 3.02Å; G68-T71 PolarHBondContact O-OG1 3.03Å; G68-A72 PolarHBondContact O-N 3.28Å
69	Y	88.8	Confident	85.4	Confident	158 Å²	158	86.1 Å²	86.1	62%	0.62	47%	0.47	S	S	*	.	H	α-helix	trans	-68.5	-43.4	175.5	-175.6	-102.2	0	0	0	112.2	V65 V66 F67 A72 M73	V65-Y69 PolarHBondContact O-N 3.17Å; V66-Y69 PolarHBondContact O-N 3.17Å; F67-Y69 PolarHBondContact O-N 3.26Å; Y69-A72 WeakPolarHBondContact O-CB 3.33Å; Y69-A72 PolarHBondContact O-N 2.84Å; Y69-M73 HydrophobicContact CD1-CE 4.14Å; Y69-M73 HydrophobicContact CE1-CE 3.33Å
70	T	86.3	Confident	84.5	Confident	69 Å²	69	87.6 Å²	87.6	42%	0.423	48%	0.479	S	S	.	.	H	α-helix	trans	-71.3	-33.9	177.8	58.2	0	0	0	0	112.9	V66 F67 A72 M73	V66-T70 WeakPolarHBondContact O-CG2 3.4Å; V66-T70 PolarHBondContact O-N 2.95Å; V66-T70 PolarHBondContact O-OG1 3.46Å; F67-T70 PolarHBondContact O-N 3.28Å; F67-T70 VanDerWaalsContact O-N 3.1Å; F67-T70 PolarHBondContact O-OG1 2.9Å; T70-A72 VanDerWaalsContact C-N 3.25Å; T70-A72 PolarHBondContact O-N 3.18Å; T70-M73 WeakPolarHBondContact O-CB 3.3Å; T70-M73 PolarHBondContact O-N 3.48Å
71	T	85.4	Confident	83.8	Confident	19 Å²	19	88.6 Å²	88.6	12%	0.117	49%	0.491	C	S	.	.	H	α-helix	trans	-66.2	-31.8	176.4	57.5	0	0	0	0	111.5	P25 F67 G68 M73 A74 I75	P25-T71 HydrophobicContact CB-CG2 3.38Å; P25-T71 HydrophobicContact CG-CG2 4.46Å; F67-T71 HydrophobicContact CD1-CG2 4.15Å; F67-T71 HydrophobicContact CD2-CG2 4.28Å; F67-T71 HydrophobicContact CE1-CG2 3.81Å; F67-T71 HydrophobicContact CE2-CG2 3.95Å; F67-T71 HydrophobicContact CG-CG2 4.38Å; F67-T71 HydrophobicContact CZ-CG2 3.71Å; F67-T71 WeakPolarHBondContact O-CG2 3.29Å; F67-T71 PolarHBondContact O-N 3.5Å; F67-T71 PolarHBondContact O-OG1 2.88Å; G68-T71 WeakPolarHBondContact CA-OG1 3.02Å; G68-T71 PolarHBondContact O-OG1 3.03Å; T71-M73 PolarHBondContact O-N 3.01Å; T71-A74 CarbonylContact O-C 3.49Å; T71-A74 PolarHBondContact O-N 3.22Å; T71-I75 WeakPolarHBondContact O-CG1 3.42Å; T71-I75 PolarHBondContact O-N 3.1Å
72	A	84.3	Confident	82.8	Confident	58 Å²	58	91.6 Å²	91.6	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-60.7	-28	172.3	0	0	0	0	0	113.2	G68 Y69 T70 A74 I75	G68-A72 PolarHBondContact O-N 3.28Å; Y69-A72 WeakPolarHBondContact O-CB 3.33Å; Y69-A72 PolarHBondContact O-N 2.84Å; T70-A72 VanDerWaalsContact C-N 3.25Å; T70-A72 PolarHBondContact O-N 3.18Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A72-I75 HydrophobicContact CB-CD1 4.43Å
73	M	84.6	Confident	81.8	Confident	135 Å²	135	92.5 Å²	92.5	67%	0.665	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.2	176.2	-60.9	-179.4	167.3	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 3.3Å; T70-M73 PolarHBondContact O-N 3.48Å; T71-M73 PolarHBondContact O-N 3.01Å
74	A	80.2	Confident	81	Confident	80 Å²	80	90.9 Å²	90.9	66%	0.661	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	28	-176.5	0	0	0	0	0	112.3	T71 A72 E76	T71-A74 CarbonylContact O-C 3.49Å; T71-A74 PolarHBondContact O-N 3.22Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A74-E76 PolarHBondContact O-N 2.91Å
75	I	80.1	Confident	80.6	Confident	104 Å²	104	90.7 Å²	90.7	53%	0.533	50%	0.499	S	S	.	.			trans	-71.4	121.5	178.7	-67	178.1	0	0	0	109.8	I26 T71 A72	I26-I75 HydrophobicContact CD1-CD1 4.25Å; I26-I75 HydrophobicContact CD1-CG1 4.26Å; T71-I75 WeakPolarHBondContact O-CG1 3.42Å; T71-I75 PolarHBondContact O-N 3.1Å; A72-I75 HydrophobicContact CB-CD1 4.43Å
76	E	78	Confident	80.1	Confident	149 Å²	149	91.8 Å²	91.8	70%	0.696	51%	0.506	S	S	*	.			trans	-82.4	151.2	166.4	-61.5	-177.3	176	0	0	110.6	A74 Y78	A74-E76 PolarHBondContact O-N 2.91Å; E76-Y78 PolarHBondContact O-N 3.01Å; E76-Y78 VanDerWaalsContact O-N 3.16Å
77	E	71.5	Confident	79.7	Confident	181 Å²	181	95.3 Å²	95.3	85%	0.846	52%	0.516	S	S	*	.	S	Bend	trans	-60	-27.9	-174.7	-67.7	-177.5	170.5	0	0	113.7
78	Y	71.1	Confident	79.5	Confident	198 Å²	198	91.8 Å²	91.8	78%	0.776	50%	0.501	S	S	*	.	S	Bend	trans	-127.7	87.2	177.5	-65.6	-73.2	0	0	0	110.5	E76 E80	E76-Y78 PolarHBondContact O-N 3.01Å; E76-Y78 VanDerWaalsContact O-N 3.16Å; Y78-E80 PolarHBondContact O-N 3.24Å
79	P	74.4	Confident	79.3	Confident	62 Å²	62	94.1 Å²	94.1	40%	0.403	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-64.2	136	178	25.9	-33.1	0	0	0	110.2	A81	P79-A81 PolarHBondContact O-N 3.4Å; P79-A81 VanDerWaalsContact O-N 3.16Å
80	E	74.1	Confident	79.2	Confident	98 Å²	98	90.4 Å²	90.4	46%	0.458	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-57.1	122.9	173.2	-66.1	-168	168.3	0	0	110.2	S24 Y27 Y78	S24-E80 PolarHBondContact OG-O 3.3Å; Y27-E80 WeakPolarHBondContact CD2-O 3.21Å; Y27-E80 WeakPolarHBondContact CE2-O 3.42Å; Y78-E80 PolarHBondContact O-N 3.24Å
81	A	75.6	Confident	79.2	Confident	42 Å²	42	89.2 Å²	89.2	35%	0.347	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-85.7	159.3	172.2	0	0	0	0	0	109.8	P79 G83 S84	P79-A81 PolarHBondContact O-N 3.4Å; P79-A81 VanDerWaalsContact O-N 3.16Å; A81-G83 PolarHBondContact O-N 3.5Å; A81-S84 PolarHBondContact N-OG 3.47Å; A81-S84 PolarHBondContact O-N 3.24Å; A81-S84 PolarHBondContact O-OG 3.13Å
82	W	69.8	Low	79.3	Confident	109 Å²	109	89.9 Å²	89.9	41%	0.413	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.9	-177.9	-77.3	62.5	0	0	0	115	Y27 V31	Y27-W82 AromaticContact CD1-CD1 3.98Å; Y27-W82 AromaticContact CD1-NE1 3.62Å; Y27-W82 AromaticContact CG-CD1 3.82Å; Y27-W82 AromaticContact CG-NE1 3.53Å; V31-W82 HydrophobicContact CG2-CH2 3.53Å; V31-W82 HydrophobicContact CG2-CZ2 3.25Å
83	G	71.3	Confident	79.4	Confident	51 Å²	51	92.6 Å²	92.6	53%	0.526	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	4	178.6	0	0	0	0	0	115.2	A81	A81-G83 PolarHBondContact O-N 3.5Å
84	S	75.9	Confident	79.7	Confident	73 Å²	73	90.3 Å²	90.3	51%	0.51	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-35.4	-178	60.1	0	0	0	0	112.4	A81	A81-S84 PolarHBondContact N-OG 3.47Å; A81-S84 PolarHBondContact O-N 3.24Å; A81-S84 PolarHBondContact O-OG 3.13Å
85	G	80.8	Confident	80.1	Confident	14 Å²	14	87.1 Å²	87.1	14%	0.144	47%	0.471	C	S	.	.			trans	-88.6	121.5	177.8	0	0	0	0	0	111.7	E87 V88 L89	G85-E87 PolarHBondContact O-N 3.35Å; G85-V88 PolarHBondContact O-N 3.29Å; G85-V88 VanDerWaalsContact O-N 3.16Å; G85-L89 PolarHBondContact O-N 3.17Å; G85-L89 VanDerWaalsContact O-N 3.11Å
86	V	82.3	Confident	80.4	Confident	116 Å²	116	84.9 Å²	84.9	70%	0.703	46%	0.46	S	S	*	.	H	α-helix	trans	-57.7	-37.3	169.7	178.8	0	0	0	0	110.1	L89 V90	V86-L89 PolarHBondContact O-N 2.84Å; V86-V90 HydrophobicContact CG1-CG2 4.31Å; V86-V90 WeakPolarHBondContact O-CB 3.32Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 3.35Å; V86-V90 PolarHBondContact O-N 2.92Å
87	E	83.2	Confident	80.9	Confident	169 Å²	169	80.9 Å²	80.9	79%	0.79	45%	0.452	S	S	*	.	H	α-helix	trans	-65.9	-37.8	177	-58.9	-172	178.1	0	0	113.1	G85 V90 S91	G85-E87 PolarHBondContact O-N 3.35Å; E87-V90 PolarHBondContact O-N 2.93Å; E87-S91 WeakPolarHBondContact O-CB 3.48Å; E87-S91 PolarHBondContact O-N 3.44Å; E87-S91 PolarHBondContact O-OG 3.46Å
88	V	83.4	Confident	81.6	Confident	6 Å²	6	77.7 Å²	77.7	4%	0.036	44%	0.439	C	S	.	.	H	α-helix	trans	-63.8	-46.5	175.8	-178.4	0	0	0	0	109.7	G85 S91 V92	G85-V88 PolarHBondContact O-N 3.29Å; G85-V88 VanDerWaalsContact O-N 3.16Å; V88-S91 PolarHBondContact O-N 3.13Å; V88-S91 PolarHBondContact O-OG 2.95Å; V88-V92 VanDerWaalsContact O-CG2 3.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.46Å; V88-V92 PolarHBondContact O-N 3Å
89	L	83.6	Confident	82.1	Confident	85 Å²	85	69.4 Å²	69.4	45%	0.445	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-43.1	177.5	-73.3	171.7	0	0	0	112.4	G85 V86 V92 L93	G85-L89 PolarHBondContact O-N 3.17Å; G85-L89 VanDerWaalsContact O-N 3.11Å; V86-L89 PolarHBondContact O-N 2.84Å; L89-V92 PolarHBondContact O-N 3.18Å; L89-L93 WeakPolarHBondContact O-CB 3.35Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.85Å
90	V	88.4	Confident	82.6	Confident	80 Å²	80	70.4 Å²	70.4	49%	0.485	41%	0.412	S	S	.	.	H	α-helix	trans	-62.7	-45.4	177.7	170.4	0	0	0	0	110.8	V86 E87 V92 L93 V94	V86-V90 HydrophobicContact CG1-CG2 4.31Å; V86-V90 WeakPolarHBondContact O-CB 3.32Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 3.35Å; V86-V90 PolarHBondContact O-N 2.92Å; E87-V90 PolarHBondContact O-N 2.93Å; V90-V92 PolarHBondContact O-N 3.36Å; V90-L93 PolarHBondContact O-N 2.88Å; V90-V94 HydrophobicContact CG1-CG2 4.42Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.47Å; V90-V94 PolarHBondContact O-N 3.3Å
91	S	85.6	Confident	83	Confident	44 Å²	44	67.6 Å²	67.6	31%	0.308	41%	0.409	S	S	.	.	H	α-helix	trans	-66.3	-37.4	180	56	0	0	0	0	112.9	S21 E87 V88 V94 G95	S21-S91 WeakPolarHBondContact CA-OG 3.19Å; S21-S91 WeakPolarHBondContact CB-OG 3.36Å; E87-S91 WeakPolarHBondContact O-CB 3.48Å; E87-S91 PolarHBondContact O-N 3.44Å; E87-S91 PolarHBondContact O-OG 3.46Å; V88-S91 PolarHBondContact O-N 3.13Å; V88-S91 PolarHBondContact O-OG 2.95Å; S91-V94 PolarHBondContact O-N 2.9Å; S91-G95 PolarHBondContact O-N 3.25Å
92	V	86.9	Confident	83.3	Confident	33 Å²	33	70.1 Å²	70.1	20%	0.2	42%	0.416	C	S	.	.	H	α-helix	trans	-64	-44.6	172.6	172.2	0	0	0	0	111.2	V88 L89 V90 V94 G95 L96	V88-V92 VanDerWaalsContact O-CG2 3.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.46Å; V88-V92 PolarHBondContact O-N 3Å; L89-V92 PolarHBondContact O-N 3.18Å; V90-V92 PolarHBondContact O-N 3.36Å; V92-V94 VanDerWaalsContact C-N 3.35Å; V92-V94 PolarHBondContact O-N 3.35Å; V92-G95 PolarHBondContact O-N 3.35Å; V92-L96 HydrophobicContact CG1-CD1 4.04Å; V92-L96 HydrophobicContact CG1-CG 4.42Å; V92-L96 WeakPolarHBondContact O-CB 3.26Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 2.97Å
93	L	87.6	Confident	83.7	Confident	116 Å²	116	67.8 Å²	67.8	61%	0.607	41%	0.414	S	S	*	.	H	α-helix	trans	-62.4	-40.9	177.4	-74.7	173.8	0	0	0	112.2	L89 V90 L96 A97	L89-L93 WeakPolarHBondContact O-CB 3.35Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.85Å; V90-L93 PolarHBondContact O-N 2.88Å; L93-L96 PolarHBondContact O-N 3.37Å; L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 2.93Å
94	V	90.1	Very high	84.1	Confident	86 Å²	86	69.8 Å²	69.8	52%	0.521	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-44.3	175	172.2	0	0	0	0	110.7	V90 S91 V92 A97 M98	V90-V94 HydrophobicContact CG1-CG2 4.42Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.47Å; V90-V94 PolarHBondContact O-N 3.3Å; S91-V94 PolarHBondContact O-N 2.9Å; V92-V94 VanDerWaalsContact C-N 3.35Å; V92-V94 PolarHBondContact O-N 3.35Å; V94-A97 PolarHBondContact O-N 3.33Å; V94-M98 WeakPolarHBondContact O-CG 3.34Å; V94-M98 PolarHBondContact O-N 2.95Å
95	G	87.9	Confident	84.1	Confident	14 Å²	14	73.3 Å²	73.3	14%	0.144	41%	0.414	C	S	.	.	H	α-helix	trans	-59.6	-47.3	176.7	0	0	0	0	0	112.4	S91 V92 A97 M98 E99	S91-G95 PolarHBondContact O-N 3.25Å; V92-G95 PolarHBondContact O-N 3.35Å; G95-A97 PolarHBondContact O-N 3.49Å; G95-M98 PolarHBondContact O-N 3.24Å; G95-E99 PolarHBondContact O-N 3.04Å
96	L	86.3	Confident	83.5	Confident	57 Å²	57	75.8 Å²	75.8	30%	0.298	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-43.2	175	-73.9	174.5	0	0	0	112.6	M14 V92 L93 M98 E99 V100	M14-L96 HydrophobicContact CE-CD2 3.63Å; M14-L96 HydrophobicContact SD-CD2 3.27Å; M14-L96 WeakPolarHBondContact SD-CD2 3.37Å; V92-L96 HydrophobicContact CG1-CD1 4.04Å; V92-L96 HydrophobicContact CG1-CG 4.42Å; V92-L96 WeakPolarHBondContact O-CB 3.26Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 2.97Å; L93-L96 PolarHBondContact O-N 3.37Å; L96-M98 VanDerWaalsContact C-N 3.3Å; L96-M98 PolarHBondContact O-N 2.82Å; L96-E99 PolarHBondContact O-N 3.39Å; L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.12Å
97	A	88.8	Confident	82.6	Confident	65 Å²	65	78.4 Å²	78.4	54%	0.537	43%	0.429	S	S	.	.	H	α-helix	trans	-62.9	-38.5	177.9	0	0	0	0	0	111.6	L93 V94 G95 G101	L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 2.93Å; V94-A97 PolarHBondContact O-N 3.33Å; G95-A97 PolarHBondContact O-N 3.49Å; A97-G101 WeakPolarHBondContact O-CA 3.47Å; A97-G101 PolarHBondContact O-N 3.44Å
98	M	85.9	Confident	81.5	Confident	113 Å²	113	78.1 Å²	78.1	56%	0.557	43%	0.427	S	S	*	.	H	α-helix	trans	-67.8	-43.6	175.9	-71.7	-59.2	-62.2	0	0	112	V94 G95 L96 G101 L102	V94-M98 WeakPolarHBondContact O-CG 3.34Å; V94-M98 PolarHBondContact O-N 2.95Å; G95-M98 PolarHBondContact O-N 3.24Å; L96-M98 VanDerWaalsContact C-N 3.3Å; L96-M98 PolarHBondContact O-N 2.82Å; M98-G101 PolarHBondContact O-N 3.46Å; M98-L102 WeakPolarHBondContact O-CB 3.4Å; M98-L102 VanDerWaalsContact O-CG 3.23Å; M98-L102 WeakPolarHBondContact O-CG 3.36Å; M98-L102 PolarHBondContact O-N 3Å
99	E	82.6	Confident	79.9	Confident	24 Å²	24	84 Å²	84	11%	0.112	45%	0.449	C	S	.	.	H	α-helix	trans	-61.3	-53.4	176.4	-74.7	-176.4	-164	0	0	111.7	V13 M14 V17 G95 L96 G101 L102 V103	V13-E99 HydrophobicContact CB-CG 4.37Å; V13-E99 WeakPolarHBondContact CB-OE1 3.46Å; V13-E99 HydrophobicContact CG1-CG 3.79Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.46Å; M14-E99 WeakPolarHBondContact CA-OE1 3.46Å; M14-E99 WeakPolarHBondContact CG-OE2 3.43Å; M14-E99 PolarHBondContact N-OE1 3.39Å; M14-E99 VanDerWaalsContact N-OE1 3.13Å; V17-E99 VanDerWaalsContact CG2-OE1 3.32Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.39Å; G95-E99 PolarHBondContact O-N 3.04Å; L96-E99 PolarHBondContact O-N 3.39Å; E99-G101 VanDerWaalsContact C-N 3.31Å; E99-G101 PolarHBondContact O-N 2.95Å; E99-L102 PolarHBondContact O-N 3.18Å; E99-V103 WeakPolarHBondContact O-CB 3.48Å; E99-V103 VanDerWaalsContact O-CG2 3.25Å; E99-V103 WeakPolarHBondContact O-CG2 3.37Å; E99-V103 PolarHBondContact O-N 2.91Å
100	V	84.1	Confident	78.1	Confident	83 Å²	83	87.5 Å²	87.5	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-63.6	-41.2	179.7	176.1	0	0	0	0	110.5	L96 V103 L104	L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.12Å; V100-V103 PolarHBondContact O-N 3.12Å; V100-L104 HydrophobicContact CG1-CD1 3.72Å; V100-L104 HydrophobicContact CG1-CG 4.12Å; V100-L104 WeakPolarHBondContact O-CB 3.09Å; V100-L104 VanDerWaalsContact O-CG 3.25Å; V100-L104 WeakPolarHBondContact O-CG 3.37Å; V100-L104 PolarHBondContact O-N 2.96Å
101	G	83.6	Confident	75.7	Confident	39 Å²	39	86.8 Å²	86.8	40%	0.402	48%	0.478	S	S	.	.	H	α-helix	trans	-58.4	-48.8	176.7	0	0	0	0	0	112.2	A97 M98 E99 W105	A97-G101 WeakPolarHBondContact O-CA 3.47Å; A97-G101 PolarHBondContact O-N 3.44Å; M98-G101 PolarHBondContact O-N 3.46Å; E99-G101 VanDerWaalsContact C-N 3.31Å; E99-G101 PolarHBondContact O-N 2.95Å; G101-W105 WeakPolarHBondContact O-CB 3.34Å; G101-W105 PolarHBondContact O-N 3.42Å
102	L	81.1	Confident	73.3	Confident	95 Å²	95	89.6 Å²	89.6	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-67.9	-40.2	178.6	-70.3	172.2	0	0	0	112.2	M98 E99 W105 V106	M98-L102 WeakPolarHBondContact O-CB 3.4Å; M98-L102 VanDerWaalsContact O-CG 3.23Å; M98-L102 WeakPolarHBondContact O-CG 3.36Å; M98-L102 PolarHBondContact O-N 3Å; E99-L102 PolarHBondContact O-N 3.18Å; L102-W105 PolarHBondContact O-N 3.07Å; L102-V106 WeakPolarHBondContact O-CB 3.35Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.46Å; L102-V106 PolarHBondContact O-N 3.28Å
103	V	79.5	Confident	71.2	Confident	60 Å²	60	92 Å²	92	36%	0.364	51%	0.507	S	S	.	.	H	α-helix	trans	-66.1	-42.5	178.2	171.5	0	0	0	0	111.5	F6 E99 V100 K107	F6-V103 HydrophobicContact CZ-CG1 4.05Å; F6-V103 HydrophobicContact CZ-CG2 4.07Å; E99-V103 WeakPolarHBondContact O-CB 3.48Å; E99-V103 VanDerWaalsContact O-CG2 3.25Å; E99-V103 WeakPolarHBondContact O-CG2 3.37Å; E99-V103 PolarHBondContact O-N 2.91Å; V100-V103 PolarHBondContact O-N 3.12Å; V103-K107 WeakPolarHBondContact O-CB 3.27Å; V103-K107 PolarHBondContact O-N 3.47Å; V103-K107 VanDerWaalsContact O-N 3.08Å
104	L	78.7	Confident	69	Low	94 Å²	94	92 Å²	92	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-41.5	175.3	-70.5	177.3	0	0	0	111.3	V100 V106 K107 E108	V100-L104 HydrophobicContact CG1-CD1 3.72Å; V100-L104 HydrophobicContact CG1-CG 4.12Å; V100-L104 WeakPolarHBondContact O-CB 3.09Å; V100-L104 VanDerWaalsContact O-CG 3.25Å; V100-L104 WeakPolarHBondContact O-CG 3.37Å; V100-L104 PolarHBondContact O-N 2.96Å; L104-V106 PolarHBondContact O-N 2.93Å; L104-K107 PolarHBondContact O-N 3.42Å; L104-K107 VanDerWaalsContact O-N 3.13Å; L104-E108 WeakPolarHBondContact O-CB 3.26Å; L104-E108 PolarHBondContact O-N 3.46Å
105	W	75.6	Confident	66.9	Low	146 Å²	146	94.5 Å²	94.5	55%	0.553	53%	0.527	S	S	*	.	H	α-helix	trans	-60	-45.1	176.4	-166.4	63.3	0	0	0	111.6	G101 L102 K107 E108 Y109	G101-W105 WeakPolarHBondContact O-CB 3.34Å; G101-W105 PolarHBondContact O-N 3.42Å; L102-W105 PolarHBondContact O-N 3.07Å; W105-K107 VanDerWaalsContact C-N 3.29Å; W105-K107 PolarHBondContact O-N 2.92Å; W105-E108 PolarHBondContact O-N 3.13Å; W105-Y109 AromaticContact CD1-CD2 3.42Å; W105-Y109 VanDerWaalsContact CD1-CD2 3.42Å; W105-Y109 AromaticContact CD1-CE2 3.22Å; W105-Y109 HydrophobicContact CD2-CD2 4.42Å; W105-Y109 HydrophobicContact CG-CD2 4.05Å; W105-Y109 HydrophobicContact CG-CE2 4.25Å; W105-Y109 AromaticContact NE1-CD2 3.38Å; W105-Y109 AromaticContact NE1-CE2 3.02Å; W105-Y109 AromaticContact NE1-CZ 3.62Å; W105-Y109 WeakPolarHBondContact O-CB 3.27Å; W105-Y109 WeakPolarHBondContact O-CD2 3.47Å; W105-Y109 PolarHBondContact O-N 3.3Å; W105-Y109 VanDerWaalsContact O-N 3.08Å
106	V	69.1	Low	64.4	Low	66 Å²	66	98.9 Å²	98.9	40%	0.4	55%	0.551	S	S	.	*	H	α-helix	trans	-63.8	-34.8	175.8	171.4	0	0	0	0	112	L102 L104	L102-V106 WeakPolarHBondContact O-CB 3.35Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.46Å; L102-V106 PolarHBondContact O-N 3.28Å; L104-V106 PolarHBondContact O-N 2.93Å
107	K	63.5	Low	62	Low	172 Å²	172	103 Å²	103	75%	0.748	57%	0.573	S	S	*	*	H	α-helix	trans	-73.9	-32.1	178.8	-171.6	-179.4	176.4	-174.1	0	113.2	V103 L104 W105	V103-K107 WeakPolarHBondContact O-CB 3.27Å; V103-K107 PolarHBondContact O-N 3.47Å; V103-K107 VanDerWaalsContact O-N 3.08Å; L104-K107 PolarHBondContact O-N 3.42Å; L104-K107 VanDerWaalsContact O-N 3.13Å; W105-K107 VanDerWaalsContact C-N 3.29Å; W105-K107 PolarHBondContact O-N 2.92Å
108	E	58.7	Low	59.7	Low	162 Å²	162	103.9 Å²	103.9	76%	0.757	57%	0.569	S	S	*	*	H	α-helix	trans	-87.1	-24.4	-175.4	-156.3	164.8	-156.9	0	0	112.4	L104 W105	L104-E108 WeakPolarHBondContact O-CB 3.26Å; L104-E108 PolarHBondContact O-N 3.46Å; W105-E108 PolarHBondContact O-N 3.13Å
109	Y	51.2	Low	57.2	Low	129 Å²	129	103.8 Å²	103.8	51%	0.506	57%	0.57	S	S	.	*			trans	-101.9	47.2	179.4	-76.3	-94.3	0	0	0	113.9	W105 G111	W105-Y109 AromaticContact CD1-CD2 3.42Å; W105-Y109 VanDerWaalsContact CD1-CD2 3.42Å; W105-Y109 AromaticContact CD1-CE2 3.22Å; W105-Y109 HydrophobicContact CD2-CD2 4.42Å; W105-Y109 HydrophobicContact CG-CD2 4.05Å; W105-Y109 HydrophobicContact CG-CE2 4.25Å; W105-Y109 AromaticContact NE1-CD2 3.38Å; W105-Y109 AromaticContact NE1-CE2 3.02Å; W105-Y109 AromaticContact NE1-CZ 3.62Å; W105-Y109 WeakPolarHBondContact O-CB 3.27Å; W105-Y109 WeakPolarHBondContact O-CD2 3.47Å; W105-Y109 PolarHBondContact O-N 3.3Å; W105-Y109 VanDerWaalsContact O-N 3.08Å; Y109-G111 PolarHBondContact O-N 3.19Å
110	D	44.8	Very low	55.3	Low	159 Å²	159	104.4 Å²	104.4	85%	0.85	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	30	170.3	-157.5	27	0	0	0	113.1
111	G	38.6	Very low	53.4	Low	66 Å²	66	104.5 Å²	104.5	68%	0.68	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.1	1.2	-168.1	0	0	0	0	0	118.3	Y109	Y109-G111 PolarHBondContact O-N 3.19Å
112	V	36.1	Very low	51.3	Low	102 Å²	102	105.4 Å²	105.4	62%	0.618	59%	0.587	S	S	*	*			trans	-132.5	87.6	174	-172.8	0	0	0	0	110.9	V114	V112-V114 PolarHBondContact O-N 3.49Å; V112-V114 VanDerWaalsContact O-N 3.08Å
113	V	41.1	Very low	49.2	Very low	84 Å²	84	103.5 Å²	103.5	51%	0.509	58%	0.582	S	S	.	*			trans	-47.1	106.7	147.3	-167.5	0	0	0	0	107.2	N119	V113-N119 WeakPolarHBondContact CG2-ND2 3.47Å; V113-N119 WeakPolarHBondContact CG2-OD1 3.37Å
114	V	42.9	Very low	47.4	Very low	116 Å²	116	106.2 Å²	106.2	70%	0.703	59%	0.586	S	S	*	*			trans	174.5	124.7	149	154.5	0	0	0	0	109.4	V112	V112-V114 PolarHBondContact O-N 3.49Å; V112-V114 VanDerWaalsContact O-N 3.08Å
115	V	44.8	Very low	45.8	Very low	138 Å²	138	105.4 Å²	105.4	84%	0.836	58%	0.58	S	S	*	*	S	Bend	trans	111.6	-32.6	167.4	-167.7	0	0	0	0	117.3
116	V	36.6	Very low	44.4	Very low	106 Å²	106	104 Å²	104	64%	0.642	58%	0.583	S	S	*	*	S	Bend	trans	-129.1	122.2	157.8	-168.7	0	0	0	0	106.1	L118	V116-L118 HydrophobicContact CB-CD1 4.36Å; V116-L118 HydrophobicContact CB-CG 4.08Å; V116-L118 HydrophobicContact CG1-CD1 4.32Å; V116-L118 HydrophobicContact CG1-CD2 3.99Å; V116-L118 HydrophobicContact CG1-CG 3.81Å; V116-L118 PolarHBondContact O-N 3.1Å
117	N	35.1	Very low	43.5	Very low	143 Å²	143	106.3 Å²	106.3	77%	0.765	59%	0.585	S	S	*	*			trans	-70.5	73.9	-177.8	-160.3	-7.6	0	0	0	109.6	N119	N117-N119 VanDerWaalsContact C-N 3.32Å
118	L	40.4	Very low	43.2	Very low	85 Å²	85	106.1 Å²	106.1	45%	0.445	59%	0.587	S	S	.	*			trans	-101.2	36.3	175.2	-60	177.7	0	0	0	109.6	V116 S120 W124	V116-L118 HydrophobicContact CB-CD1 4.36Å; V116-L118 HydrophobicContact CB-CG 4.08Å; V116-L118 HydrophobicContact CG1-CD1 4.32Å; V116-L118 HydrophobicContact CG1-CD2 3.99Å; V116-L118 HydrophobicContact CG1-CG 3.81Å; V116-L118 PolarHBondContact O-N 3.1Å; L118-S120 PolarHBondContact O-N 3.24Å; L118-W124 HydrophobicContact CB-CZ2 4.49Å; L118-W124 HydrophobicContact CD1-CZ2 4.47Å; L118-W124 HydrophobicContact CD2-CZ2 4.02Å
119	N	34	Very low	43.2	Very low	111 Å²	111	101.2 Å²	101.2	59%	0.594	58%	0.58	S	S	*	*			trans	-73.3	23.9	-174.5	-137.9	13.8	0	0	0	113.7	V113 N117	V113-N119 WeakPolarHBondContact CG2-ND2 3.47Å; V113-N119 WeakPolarHBondContact CG2-OD1 3.37Å; N117-N119 VanDerWaalsContact C-N 3.32Å
120	S	42.6	Very low	43.7	Very low	37 Å²	37	103.7 Å²	103.7	26%	0.259	60%	0.596	S	S	.	*			trans	-165	80.5	-173.6	62.7	0	0	0	0	109.2	L118 G122 S123	L118-S120 PolarHBondContact O-N 3.24Å; S120-G122 PolarHBondContact O-N 3.45Å; S120-S123 VanDerWaalsContact CB-CB 3.44Å; S120-S123 VanDerWaalsContact CB-N 3.3Å; S120-S123 PolarHBondContact O-N 3.42Å; S120-S123 WeakPolarHBondContact OG-CB 3.23Å; S120-S123 PolarHBondContact OG-N 2.97Å; S120-S123 PolarHBondContact OG-OG 3.21Å
121	V	43.2	Very low	44.5	Very low	84 Å²	84	99 Å²	99	51%	0.509	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.3	-22.1	153.1	-172.1	0	0	0	0	109.9	W124	V121-W124 HydrophobicContact CG1-CZ3 4.46Å
122	G	39	Very low	45.3	Very low	59 Å²	59	102.2 Å²	102.2	61%	0.608	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-14.6	167.7	0	0	0	0	0	118.2	S120	S120-G122 PolarHBondContact O-N 3.45Å
123	S	38.5	Very low	46.7	Very low	55 Å²	55	100.2 Å²	100.2	39%	0.385	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101	4.5	176.7	112.3	0	0	0	0	114.1	S120 I126	S120-S123 VanDerWaalsContact CB-CB 3.44Å; S120-S123 VanDerWaalsContact CB-N 3.3Å; S120-S123 PolarHBondContact O-N 3.42Å; S120-S123 WeakPolarHBondContact OG-CB 3.23Å; S120-S123 PolarHBondContact OG-N 2.97Å; S120-S123 PolarHBondContact OG-OG 3.21Å; S123-I126 WeakPolarHBondContact O-CD1 3.36Å; S123-I126 VanDerWaalsContact O-CG1 3.3Å; S123-I126 WeakPolarHBondContact O-CG1 3.47Å
124	W	40.8	Very low	47.9	Very low	116 Å²	116	104.8 Å²	104.8	44%	0.439	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-13.9	159	-51.8	-18	0	0	0	111.2	L118 V121	L118-W124 HydrophobicContact CB-CZ2 4.49Å; L118-W124 HydrophobicContact CD1-CZ2 4.47Å; L118-W124 HydrophobicContact CD2-CZ2 4.02Å; V121-W124 HydrophobicContact CG1-CZ3 4.46Å
125	M	45.9	Very low	49.4	Very low	77 Å²	77	104.8 Å²	104.8	38%	0.379	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.5	50.9	174.9	-57.3	179.8	-165.1	0	0	110.3	M2 Y127	M2-M125 WeakPolarHBondContact O-CE 3.24Å; M125-Y127 PolarHBondContact O-N 2.93Å
126	I	46.4	Very low	51	Low	118 Å²	118	105 Å²	105	61%	0.605	60%	0.599	S	S	*	*			trans	-73.7	71.1	164.2	-54.7	163.3	0	0	0	106.8	S123 E128	S123-I126 WeakPolarHBondContact O-CD1 3.36Å; S123-I126 VanDerWaalsContact O-CG1 3.3Å; S123-I126 WeakPolarHBondContact O-CG1 3.47Å; I126-E128 HydrophobicContact CG2-CG 3.99Å; I126-E128 PolarHBondContact O-N 3.21Å
127	Y	49.9	Very low	53.2	Low	113 Å²	113	107.9 Å²	107.9	44%	0.443	61%	0.605	S	S	.	*			trans	-82.9	86.6	147.1	-115	-77.2	0	0	0	105.2	N45 F46 G47 M125 G129	N45-Y127 WeakPolarHBondContact O-CE2 3.11Å; N45-Y127 PolarHBondContact O-OH 2.91Å; F46-Y127 VanDerWaalsContact CA-CE2 3.48Å; F46-Y127 HydrophobicContact CB-CE2 4.48Å; F46-Y127 HydrophobicContact CD1-CD2 4.17Å; F46-Y127 HydrophobicContact CD1-CE2 4.11Å; F46-Y127 PolarHBondContact O-OH 3.19Å; G47-Y127 VanDerWaalsContact CA-OH 3.28Å; G47-Y127 WeakPolarHBondContact CA-OH 3.2Å; G47-Y127 PolarHBondContact N-OH 2.95Å; M125-Y127 PolarHBondContact O-N 2.93Å; Y127-G129 VanDerWaalsContact C-N 3.33Å; Y127-G129 PolarHBondContact O-N 2.92Å; Y127-G129 VanDerWaalsContact O-N 3.12Å
128	E	57.7	Low	55.4	Low	168 Å²	168	103 Å²	103	79%	0.785	58%	0.579	S	S	*	*			trans	-60.9	113.9	146.9	-75.3	-174.5	168.4	0	0	104.1	I126 E130	I126-E128 HydrophobicContact CG2-CG 3.99Å; I126-E128 PolarHBondContact O-N 3.21Å; E128-E130 PolarHBondContact O-N 3.39Å
129	G	58.5	Low	57.5	Low	59 Å²	59	102 Å²	102	61%	0.608	58%	0.578	S	S	*	*			trans	-48.7	145.1	-172.1	0	0	0	0	0	110.1	Y127 G131	Y127-G129 VanDerWaalsContact C-N 3.33Å; Y127-G129 PolarHBondContact O-N 2.92Å; Y127-G129 VanDerWaalsContact O-N 3.12Å; G129-G131 PolarHBondContact O-N 2.9Å
130	E	60.3	Low	60.1	Low	181 Å²	181	101 Å²	101	85%	0.846	57%	0.572	S	S	*	*			trans	-48.7	111.7	176.7	61.3	-172.7	177.7	0	0	108	E128	E128-E130 PolarHBondContact O-N 3.39Å
131	G	62.4	Low	62.2	Low	61 Å²	61	101.6 Å²	101.6	63%	0.629	58%	0.583	S	S	*	*			trans	-58.3	174.3	178.4	0	0	0	0	0	109.7	G129 G133	G129-G131 PolarHBondContact O-N 2.9Å; G131-G133 PolarHBondContact O-N 3.35Å
132	S	54.1	Low	64.4	Low	133 Å²	133	98.9 Å²	98.9	93%	0.93	57%	0.569	S	S	*	*	S	Bend	trans	-70.9	29.4	175.4	52.3	0	0	0	0	114
133	G	65.4	Low	66.7	Low	61 Å²	61	97.7 Å²	97.7	63%	0.629	56%	0.558	S	S	*	*			trans	-72	129.9	176.1	0	0	0	0	0	111.1	G131 I135	G131-G133 PolarHBondContact O-N 3.35Å; G133-I135 PolarHBondContact O-N 2.9Å
134	L	67.4	Low	69.3	Low	179 Å²	179	96.8 Å²	96.8	94%	0.937	55%	0.553	S	S	*	*	S	Bend	trans	-70.5	-11.6	177.1	-65	172.6	0	0	0	113.2
135	I	74.8	Confident	71.7	Confident	117 Å²	117	94.4 Å²	94.4	60%	0.6	55%	0.549	S	S	*	.	S	Bend	trans	-133.8	135	-171.4	-43.2	171.8	0	0	0	109.5	G133 I140	G133-I135 PolarHBondContact O-N 2.9Å; I135-I140 HydrophobicContact CB-CD1 3.51Å; I135-I140 HydrophobicContact CB-CG1 4.45Å; I135-I140 HydrophobicContact CD1-CD1 4.17Å; I135-I140 HydrophobicContact CG1-CD1 4.44Å; I135-I140 HydrophobicContact CG2-CD1 3.2Å; I135-I140 HydrophobicContact CG2-CG1 3.62Å
136	R	77.7	Confident	73.9	Confident	142 Å²	142	98.6 Å²	98.6	54%	0.536	56%	0.562	S	S	.	*			trans	-69.2	141.2	174.3	-65.8	175.5	70.8	174.8	7.8	110.6	G47 G49 P139	G47-R136 PolarHBondContact O-NH2 3.44Å; G49-R136 VanDerWaalsContact CA-NH2 3.34Å; G49-R136 VanDerWaalsContact N-NH2 3.18Å; R136-P139 WeakPolarHBondContact O-CD 3.45Å
137	E	82.4	Confident	76	Confident	167 Å²	167	99 Å²	99	78%	0.78	57%	0.565	S	S	*	*	H	α-helix	trans	-69	-40.4	-171.7	-59.4	-177.3	174.5	0	0	113	I140 G141	E137-I140 PolarHBondContact O-N 2.93Å; E137-G141 PolarHBondContact O-N 3.42Å
138	D	81.9	Confident	77.9	Confident	40 Å²	40	103.6 Å²	103.6	21%	0.214	58%	0.583	C	S	.	*	H	α-helix	trans	-54.7	-53.8	-173.3	-41	-39.6	0	0	0	114.8	G48 G49 Y50 M51 I140 G141 A142	G48-D138 WeakPolarHBondContact CA-OD2 3.25Å; G49-D138 PolarHBondContact N-OD2 3.44Å; Y50-D138 PolarHBondContact N-OD2 2.88Å; M51-D138 HydrophobicContact CG-CB 4.35Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 3.39Å; D138-G141 PolarHBondContact O-N 2.93Å; D138-A142 WeakPolarHBondContact O-CB 3.25Å; D138-A142 PolarHBondContact O-N 3.43Å
139	P	84.8	Confident	79.6	Confident	65 Å²	65	96.5 Å²	96.5	42%	0.422	55%	0.554	S	S	.	*	H	α-helix	trans	-68.9	-29.8	-177.9	27.8	-36.3	0	0	0	112.7	R136 G143	R136-P139 WeakPolarHBondContact O-CD 3.45Å; P139-G143 PolarHBondContact O-N 2.95Å
140	I	89.1	Confident	81.3	Confident	90 Å²	90	102.1 Å²	102.1	46%	0.462	56%	0.557	S	S	.	*	H	α-helix	trans	-69.2	-46.7	176.6	-59.8	167.6	0	0	0	109.8	I135 E137 D138 A142 G143 A144	I135-I140 HydrophobicContact CB-CD1 3.51Å; I135-I140 HydrophobicContact CB-CG1 4.45Å; I135-I140 HydrophobicContact CD1-CD1 4.17Å; I135-I140 HydrophobicContact CG1-CD1 4.44Å; I135-I140 HydrophobicContact CG2-CD1 3.2Å; I135-I140 HydrophobicContact CG2-CG1 3.62Å; E137-I140 PolarHBondContact O-N 2.93Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 3.39Å; I140-A142 VanDerWaalsContact C-N 3.3Å; I140-A142 PolarHBondContact O-N 3.22Å; I140-G143 PolarHBondContact O-N 3.41Å; I140-G143 VanDerWaalsContact O-N 3.12Å; I140-A144 PolarHBondContact O-N 2.66Å
141	G	86.8	Confident	82.9	Confident	49 Å²	49	103.6 Å²	103.6	51%	0.505	56%	0.555	S	S	.	*	H	α-helix	trans	-59.4	-41.7	176.3	0	0	0	0	0	112.1	E137 D138 A144	E137-G141 PolarHBondContact O-N 3.42Å; D138-G141 PolarHBondContact O-N 2.93Å; G141-A144 PolarHBondContact O-N 3.47Å
142	A	88	Confident	84.5	Confident	26 Å²	26	105.2 Å²	105.2	22%	0.215	55%	0.549	C	S	.	.	H	α-helix	trans	-64.2	-38.5	174.1	0	0	0	0	0	112.6	Y50 D138 I140 L145	Y50-A142 HydrophobicContact CD1-CB 4Å; Y50-A142 HydrophobicContact CE1-CB 3.38Å; D138-A142 WeakPolarHBondContact O-CB 3.25Å; D138-A142 PolarHBondContact O-N 3.43Å; I140-A142 VanDerWaalsContact C-N 3.3Å; I140-A142 PolarHBondContact O-N 3.22Å; A142-L145 WeakPolarHBondContact O-CB 3.33Å; A142-L145 PolarHBondContact O-N 2.83Å
143	G	88.9	Confident	86.4	Confident	35 Å²	35	101.3 Å²	101.3	36%	0.361	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-35.3	176.7	0	0	0	0	0	113.6	P139 I140 L145 Y146	P139-G143 PolarHBondContact O-N 2.95Å; I140-G143 PolarHBondContact O-N 3.41Å; I140-G143 VanDerWaalsContact O-N 3.12Å; G143-L145 PolarHBondContact O-N 3.43Å; G143-Y146 PolarHBondContact O-N 3.48Å; G143-Y146 VanDerWaalsContact O-N 3.1Å
144	A	92	Very high	87.9	Confident	35 Å²	35	102.7 Å²	102.7	29%	0.289	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-16.9	177.8	0	0	0	0	0	113.5	I140 G141 Y146 D147 Y148 G149	I140-A144 PolarHBondContact O-N 2.66Å; G141-A144 PolarHBondContact O-N 3.47Å; A144-Y146 PolarHBondContact O-N 3.17Å; A144-D147 PolarHBondContact O-N 2.87Å; A144-Y148 HydrophobicContact CB-CD2 4.13Å; A144-Y148 PolarHBondContact O-N 2.95Å; A144-G149 PolarHBondContact O-N 3.1Å
145	L	91.9	Very high	89.4	Confident	66 Å²	66	98.2 Å²	98.2	35%	0.346	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-29	175.1	-165.9	145.9	0	0	0	112.4	A142 G143 G149 L152 V153	A142-L145 WeakPolarHBondContact O-CB 3.33Å; A142-L145 PolarHBondContact O-N 2.83Å; G143-L145 PolarHBondContact O-N 3.43Å; L145-G149 CarbonylContact O-C 3.53Å; L145-G149 WeakPolarHBondContact O-CA 3.42Å; L145-G149 PolarHBondContact O-N 3.34Å; L145-L152 HydrophobicContact CD1-CD2 4.2Å; L145-V153 HydrophobicContact CD2-CG2 3.27Å; L145-V153 HydrophobicContact CG-CG2 4.44Å
146	Y	91.8	Very high	90.3	Very high	166 Å²	166	95.7 Å²	95.7	65%	0.651	49%	0.486	S	S	*	.	H	α-helix	trans	-80.4	-33.7	178.6	-67.6	-71.8	0	0	0	113.4	G143 A144 R150 V153	G143-Y146 PolarHBondContact O-N 3.48Å; G143-Y146 VanDerWaalsContact O-N 3.1Å; A144-Y146 PolarHBondContact O-N 3.17Å; Y146-R150 WeakPolarHBondContact O-CG 3.35Å; Y146-V153 HydrophobicContact CD1-CG2 4.43Å
147	D	90.7	Very high	91.3	Very high	125 Å²	125	90.8 Å²	90.8	67%	0.668	48%	0.479	S	S	*	.	H	α-helix	trans	-87.1	-57.1	-177.9	-68.8	-15.7	0	0	0	111.5	A144 R150	A144-D147 PolarHBondContact O-N 2.87Å; D147-R150 WeakPolarHBondContact O-CG 3.13Å
148	Y	90.3	Very high	92	Very high	211 Å²	211	91 Å²	91	83%	0.827	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-37	-178.3	-63.8	-78.9	0	0	0	111.9	A144 R150	A144-Y148 HydrophobicContact CB-CD2 4.13Å; A144-Y148 PolarHBondContact O-N 2.95Å; Y148-R150 VanDerWaalsContact C-N 3.27Å; Y148-R150 PolarHBondContact O-N 3.32Å
149	G	92.7	Very high	92.7	Very high	18 Å²	18	93 Å²	93	19%	0.186	49%	0.486	C	S	.	.			trans	-84	24	-173	0	0	0	0	0	115.5	A144 L145 W151 L152 V153	A144-G149 PolarHBondContact O-N 3.1Å; L145-G149 CarbonylContact O-C 3.53Å; L145-G149 WeakPolarHBondContact O-CA 3.42Å; L145-G149 PolarHBondContact O-N 3.34Å; G149-W151 VanDerWaalsContact C-N 3.28Å; G149-W151 PolarHBondContact O-N 3.44Å; G149-L152 WeakPolarHBondContact O-CA 3.47Å; G149-L152 VanDerWaalsContact O-CB 3.29Å; G149-L152 WeakPolarHBondContact O-CB 3.4Å; G149-L152 PolarHBondContact O-N 3.07Å; G149-V153 PolarHBondContact O-N 3.43Å
150	R	93.4	Very high	93.2	Very high	178 Å²	178	96.1 Å²	96.1	67%	0.672	50%	0.499	S	S	*	.	H	α-helix	trans	-53	-42.6	-173.7	-64.5	176.4	68.1	-178.7	2.7	113.4	Y146 D147 Y148 L152 V153 V154	Y146-R150 WeakPolarHBondContact O-CG 3.35Å; D147-R150 WeakPolarHBondContact O-CG 3.13Å; Y148-R150 VanDerWaalsContact C-N 3.27Å; Y148-R150 PolarHBondContact O-N 3.32Å; R150-L152 VanDerWaalsContact C-N 3.35Å; R150-V153 WeakPolarHBondContact O-CB 3.25Å; R150-V153 PolarHBondContact O-N 3.43Å; R150-V154 WeakPolarHBondContact O-CG2 3.37Å; R150-V154 PolarHBondContact O-N 3.26Å; R150-V154 VanDerWaalsContact O-N 3.07Å
151	W	94.9	Very high	93.6	Very high	212 Å²	212	96.8 Å²	96.8	80%	0.803	50%	0.499	S	S	*	.	H	α-helix	trans	-65.2	-38.6	176.2	-80.8	107.7	0	0	0	112.6	G149 V153 V154 V155	G149-W151 VanDerWaalsContact C-N 3.28Å; G149-W151 PolarHBondContact O-N 3.44Å; W151-V153 VanDerWaalsContact C-N 3.33Å; W151-V154 PolarHBondContact O-N 3.36Å; W151-V155 WeakPolarHBondContact O-CG2 3.39Å; W151-V155 PolarHBondContact O-N 2.91Å
152	L	94.8	Very high	94.2	Very high	95 Å²	95	96.9 Å²	96.9	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-63.6	-42.4	176.9	-159.8	160.5	0	0	0	110	L145 G149 R150 V154 V155 T156	L145-L152 HydrophobicContact CD1-CD2 4.2Å; G149-L152 WeakPolarHBondContact O-CA 3.47Å; G149-L152 VanDerWaalsContact O-CB 3.29Å; G149-L152 WeakPolarHBondContact O-CB 3.4Å; G149-L152 PolarHBondContact O-N 3.07Å; R150-L152 VanDerWaalsContact C-N 3.35Å; L152-V154 PolarHBondContact O-N 3.3Å; L152-V155 PolarHBondContact O-N 3.44Å; L152-T156 HydrophobicContact CD2-CG2 3.66Å; L152-T156 WeakPolarHBondContact O-CG2 3.38Å; L152-T156 PolarHBondContact O-N 3.02Å; L152-T156 PolarHBondContact O-OG1 2.71Å
153	V	95.6	Very high	94.6	Very high	50 Å²	50	96.9 Å²	96.9	30%	0.303	49%	0.492	S	S	.	.	H	α-helix	trans	-58.7	-45.8	173.5	177.9	0	0	0	0	112	L145 Y146 G149 R150 W151 V155 T156 G157	L145-V153 HydrophobicContact CD2-CG2 3.27Å; L145-V153 HydrophobicContact CG-CG2 4.44Å; Y146-V153 HydrophobicContact CD1-CG2 4.43Å; G149-V153 PolarHBondContact O-N 3.43Å; R150-V153 WeakPolarHBondContact O-CB 3.25Å; R150-V153 PolarHBondContact O-N 3.43Å; W151-V153 VanDerWaalsContact C-N 3.33Å; V153-V155 VanDerWaalsContact C-N 3.33Å; V153-V155 PolarHBondContact O-N 3.01Å; V153-T156 PolarHBondContact O-OG1 3.49Å; V153-G157 PolarHBondContact O-N 3.08Å
154	V	96.7	Very high	94.9	Very high	91 Å²	91	99.3 Å²	99.3	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-62.1	-44.5	179.7	172.6	0	0	0	0	110.5	R150 W151 L152 W158	R150-V154 WeakPolarHBondContact O-CG2 3.37Å; R150-V154 PolarHBondContact O-N 3.26Å; R150-V154 VanDerWaalsContact O-N 3.07Å; W151-V154 PolarHBondContact O-N 3.36Å; L152-V154 PolarHBondContact O-N 3.3Å; V154-W158 VanDerWaalsContact O-CB 3.24Å; V154-W158 WeakPolarHBondContact O-CB 3.47Å; V154-W158 PolarHBondContact O-N 3.24Å
155	V	97.6	Very high	95.1	Very high	85 Å²	85	103.7 Å²	103.7	52%	0.515	51%	0.509	S	S	.	.	H	α-helix	trans	-67.2	-47	179.8	174.8	0	0	0	0	111.4	W151 L152 V153 W158 T159	W151-V155 WeakPolarHBondContact O-CG2 3.39Å; W151-V155 PolarHBondContact O-N 2.91Å; L152-V155 PolarHBondContact O-N 3.44Å; V153-V155 VanDerWaalsContact C-N 3.33Å; V153-V155 PolarHBondContact O-N 3.01Å; V155-W158 PolarHBondContact O-N 3.13Å; V155-T159 HydrophobicContact CG1-CG2 4.4Å; V155-T159 WeakPolarHBondContact O-CG2 3.13Å; V155-T159 PolarHBondContact O-N 3.33Å; V155-T159 PolarHBondContact O-OG1 2.74Å
156	T	95.6	Very high	95.4	Very high	64 Å²	64	104.6 Å²	104.6	39%	0.393	51%	0.513	S	S	.	.	H	α-helix	trans	-67.8	-37.6	-179.8	54.3	0	0	0	0	112.5	L152 V153 W158 T159 L160	L152-T156 HydrophobicContact CD2-CG2 3.66Å; L152-T156 WeakPolarHBondContact O-CG2 3.38Å; L152-T156 PolarHBondContact O-N 3.02Å; L152-T156 PolarHBondContact O-OG1 2.71Å; V153-T156 PolarHBondContact O-OG1 3.49Å; T156-W158 VanDerWaalsContact C-N 3.35Å; T156-T159 WeakPolarHBondContact CA-OG1 3.28Å; T156-T159 PolarHBondContact O-OG1 3.08Å; T156-L160 WeakPolarHBondContact O-CG 3.32Å; T156-L160 PolarHBondContact O-N 2.93Å; T156-L160 VanDerWaalsContact O-N 3.14Å
157	G	96.6	Very high	95.5	Very high	38 Å²	38	101.3 Å²	101.3	39%	0.392	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-42.5	172.5	0	0	0	0	0	111.8	V153 F161	V153-G157 PolarHBondContact O-N 3.08Å; G157-F161 WeakPolarHBondContact O-CB 3.45Å; G157-F161 PolarHBondContact O-N 3.38Å
158	W	97.5	Very high	95.8	Very high	172 Å²	172	100 Å²	100	65%	0.652	50%	0.503	S	S	*	.	H	α-helix	trans	-67	-42.7	178	-170.7	-97.6	0	0	0	112.7	V154 V155 T156 L160 F161 V162	V154-W158 VanDerWaalsContact O-CB 3.24Å; V154-W158 WeakPolarHBondContact O-CB 3.47Å; V154-W158 PolarHBondContact O-N 3.24Å; V155-W158 PolarHBondContact O-N 3.13Å; T156-W158 VanDerWaalsContact C-N 3.35Å; W158-L160 PolarHBondContact O-N 3.46Å; W158-F161 HydrophobicContact CZ3-CD1 4.5Å; W158-F161 PolarHBondContact O-N 3.08Å; W158-V162 HydrophobicContact CD2-CG2 4.4Å; W158-V162 HydrophobicContact CG-CG2 4.44Å; W158-V162 HydrophobicContact CZ2-CG2 4.33Å; W158-V162 WeakPolarHBondContact O-CG2 3.14Å; W158-V162 PolarHBondContact O-N 3.26Å
159	T	97.6	Very high	96	Very high	82 Å²	82	96.9 Å²	96.9	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-39.4	178.9	55.3	0	0	0	0	112.1	V155 T156 G163	V155-T159 HydrophobicContact CG1-CG2 4.4Å; V155-T159 WeakPolarHBondContact O-CG2 3.13Å; V155-T159 PolarHBondContact O-N 3.33Å; V155-T159 PolarHBondContact O-OG1 2.74Å; T156-T159 WeakPolarHBondContact CA-OG1 3.28Å; T156-T159 PolarHBondContact O-OG1 3.08Å; T159-G163 PolarHBondContact O-N 3.08Å
160	L	95.8	Very high	96.1	Very high	130 Å²	130	102 Å²	102	68%	0.681	52%	0.517	S	S	*	.	H	α-helix	trans	-66.5	-42.3	174	-70	176.3	0	0	0	111.8	T156 W158 G163 V164	T156-L160 WeakPolarHBondContact O-CG 3.32Å; T156-L160 PolarHBondContact O-N 2.93Å; T156-L160 VanDerWaalsContact O-N 3.14Å; W158-L160 PolarHBondContact O-N 3.46Å; L160-G163 PolarHBondContact O-N 3.39Å; L160-V164 PolarHBondContact O-N 3.26Å; L160-V164 VanDerWaalsContact O-N 3.12Å
161	F	97.5	Very high	96	Very high	105 Å²	105	96.5 Å²	96.5	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-60.1	-50.5	177.3	179.8	-107.6	0	0	0	111.8	G157 W158 G163 V164 Y165	G157-F161 WeakPolarHBondContact O-CB 3.45Å; G157-F161 PolarHBondContact O-N 3.38Å; W158-F161 HydrophobicContact CZ3-CD1 4.5Å; W158-F161 PolarHBondContact O-N 3.08Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 3.47Å; F161-V164 PolarHBondContact O-N 2.89Å; F161-Y165 HydrophobicContact CD1-CD2 4.43Å; F161-Y165 AromaticContact CD1-CE2 3.97Å; F161-Y165 HydrophobicContact CD1-CE2 3.97Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.28Å; F161-Y165 AromaticContact CE1-CE2 3.5Å; F161-Y165 HydrophobicContact CE1-CE2 3.5Å; F161-Y165 VanDerWaalsContact CE1-CE2 3.5Å; F161-Y165 AromaticContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CG-CE2 4.29Å; F161-Y165 HydrophobicContact CZ-CD2 4.48Å; F161-Y165 AromaticContact CZ-CE2 3.35Å; F161-Y165 HydrophobicContact CZ-CE2 3.35Å; F161-Y165 AromaticContact CZ-CZ 3.87Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.21Å; F161-Y165 VanDerWaalsContact O-CD2 3.27Å; F161-Y165 WeakPolarHBondContact O-CD2 3.35Å
162	V	97.8	Very high	95.9	Very high	51 Å²	51	96.5 Å²	96.5	31%	0.309	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-36.7	176.2	177.7	0	0	0	0	110.9	W158 V164 Y165 I166	W158-V162 HydrophobicContact CD2-CG2 4.4Å; W158-V162 HydrophobicContact CG-CG2 4.44Å; W158-V162 HydrophobicContact CZ2-CG2 4.33Å; W158-V162 WeakPolarHBondContact O-CG2 3.14Å; W158-V162 PolarHBondContact O-N 3.26Å; V162-V164 VanDerWaalsContact C-N 3.27Å; V162-V164 PolarHBondContact O-N 3.14Å; V162-Y165 PolarHBondContact O-N 2.72Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; V162-I166 HydrophobicContact CG1-CD1 3.78Å; V162-I166 HydrophobicContact CG1-CG1 4.13Å; V162-I166 WeakPolarHBondContact O-CG1 3.38Å; V162-I166 PolarHBondContact O-N 2.87Å
163	G	96.8	Very high	95.3	Very high	26 Å²	26	95.2 Å²	95.2	27%	0.268	52%	0.52	S	S	.	.	H	α-helix	trans	-55	-39.5	175.5	0	0	0	0	0	113.2	T159 L160 F161 I166 V167	T159-G163 PolarHBondContact O-N 3.08Å; L160-G163 PolarHBondContact O-N 3.39Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 3.47Å; G163-I166 PolarHBondContact O-N 3.35Å; G163-V167 VanDerWaalsContact O-CG2 3.31Å; G163-V167 WeakPolarHBondContact O-CG2 3.45Å; G163-V167 PolarHBondContact O-N 3.48Å
164	V	96.3	Very high	93.7	Very high	86 Å²	86	103 Å²	103	52%	0.521	56%	0.56	S	S	.	*	H	α-helix	trans	-61.9	-46.2	174.9	174.1	0	0	0	0	111.5	L160 F161 V162 V167 I168	L160-V164 PolarHBondContact O-N 3.26Å; L160-V164 VanDerWaalsContact O-N 3.12Å; F161-V164 PolarHBondContact O-N 2.89Å; V162-V164 VanDerWaalsContact C-N 3.27Å; V162-V164 PolarHBondContact O-N 3.14Å; V164-V167 PolarHBondContact O-N 2.84Å; V164-I168 HydrophobicContact CG1-CD1 3.81Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.46Å; V164-I168 PolarHBondContact O-N 3.06Å
165	Y	95.9	Very high	93.5	Very high	126 Å²	126	103.6 Å²	103.6	49%	0.494	56%	0.56	S	S	.	*	H	α-helix	trans	-63.7	-42.5	177.7	-70.7	-76.8	0	0	0	112.2	F161 V162 V167 I168 E169	F161-Y165 HydrophobicContact CD1-CD2 4.43Å; F161-Y165 AromaticContact CD1-CE2 3.97Å; F161-Y165 HydrophobicContact CD1-CE2 3.97Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.28Å; F161-Y165 AromaticContact CE1-CE2 3.5Å; F161-Y165 HydrophobicContact CE1-CE2 3.5Å; F161-Y165 VanDerWaalsContact CE1-CE2 3.5Å; F161-Y165 AromaticContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CG-CE2 4.29Å; F161-Y165 HydrophobicContact CZ-CD2 4.48Å; F161-Y165 AromaticContact CZ-CE2 3.35Å; F161-Y165 HydrophobicContact CZ-CE2 3.35Å; F161-Y165 AromaticContact CZ-CZ 3.87Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.21Å; F161-Y165 VanDerWaalsContact O-CD2 3.27Å; F161-Y165 WeakPolarHBondContact O-CD2 3.35Å; V162-Y165 PolarHBondContact O-N 2.72Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.42Å; Y165-I168 PolarHBondContact O-N 2.79Å; Y165-E169 PolarHBondContact O-N 2.78Å
166	I	96.9	Very high	93.3	Very high	85 Å²	85	104.6 Å²	104.6	44%	0.436	56%	0.563	S	S	.	*	H	α-helix	trans	-57.2	-49.5	176.7	-68.2	168.6	0	0	0	110	V162 G163 I168 E169 I170	V162-I166 HydrophobicContact CG1-CD1 3.78Å; V162-I166 HydrophobicContact CG1-CG1 4.13Å; V162-I166 WeakPolarHBondContact O-CG1 3.38Å; V162-I166 PolarHBondContact O-N 2.87Å; G163-I166 PolarHBondContact O-N 3.35Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 2.79Å; I166-E169 PolarHBondContact O-N 2.8Å; I166-I170 HydrophobicContact CG2-CD1 3.59Å; I166-I170 HydrophobicContact CG2-CG1 4.38Å; I166-I170 WeakPolarHBondContact O-CB 3.46Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 2.96Å; I166-I170 PolarHBondContact O-N 3.48Å
167	V	95.3	Very high	93.2	Very high	97 Å²	97	106.8 Å²	106.8	59%	0.588	57%	0.572	S	S	*	*	H	α-helix	trans	-62.9	-40	-179.6	173.6	0	0	0	0	111.3	G163 V164 Y165 A171	G163-V167 VanDerWaalsContact O-CG2 3.31Å; G163-V167 WeakPolarHBondContact O-CG2 3.45Å; G163-V167 PolarHBondContact O-N 3.48Å; V164-V167 PolarHBondContact O-N 2.84Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.42Å; V167-A171 WeakPolarHBondContact O-CB 3.3Å; V167-A171 PolarHBondContact O-N 3.26Å
168	I	95.6	Very high	93	Very high	98 Å²	98	110.9 Å²	110.9	50%	0.503	58%	0.583	S	S	.	*	H	α-helix	trans	-65.3	-45.8	177.1	-68.7	167.9	0	0	0	111.4	V164 Y165 I166 A171 R172	V164-I168 HydrophobicContact CG1-CD1 3.81Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.46Å; V164-I168 PolarHBondContact O-N 3.06Å; Y165-I168 PolarHBondContact O-N 2.79Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 2.79Å; I168-A171 PolarHBondContact O-N 3.43Å; I168-R172 WeakPolarHBondContact O-CB 3.18Å; I168-R172 PolarHBondContact O-N 3.21Å
169	E	95.8	Very high	92.7	Very high	145 Å²	145	107.1 Å²	107.1	68%	0.678	58%	0.579	S	S	*	*	H	α-helix	trans	-65.2	-39.3	179.8	-74.9	-174.1	172.3	0	0	112.1	Y165 I166	Y165-E169 PolarHBondContact O-N 2.78Å; I166-E169 PolarHBondContact O-N 2.8Å
170	I	94.8	Very high	92.4	Very high	125 Å²	125	108.7 Å²	108.7	64%	0.641	58%	0.584	S	S	*	*	H	α-helix	trans	-65.6	-48.4	174.8	-66.8	169.9	0	0	0	110.4	I166 R172 G173	I166-I170 HydrophobicContact CG2-CD1 3.59Å; I166-I170 HydrophobicContact CG2-CG1 4.38Å; I166-I170 WeakPolarHBondContact O-CB 3.46Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 2.96Å; I166-I170 PolarHBondContact O-N 3.48Å; I170-R172 VanDerWaalsContact C-N 3.3Å; I170-R172 PolarHBondContact O-N 2.84Å; I170-G173 PolarHBondContact O-N 3.12Å
171	A	91.9	Very high	92.1	Very high	64 Å²	64	107.2 Å²	107.2	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-69.3	-25.4	-177	0	0	0	0	0	113.3	V167 I168 G173	V167-A171 WeakPolarHBondContact O-CB 3.3Å; V167-A171 PolarHBondContact O-N 3.26Å; I168-A171 PolarHBondContact O-N 3.43Å; A171-G173 PolarHBondContact O-N 2.77Å
172	R	91.8	Very high	91.7	Very high	211 Å²	211	107.4 Å²	107.4	80%	0.796	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-15.7	175.2	-158.1	-178.1	88.7	-175.8	4.1	113.1	I168 I170 N174	I168-R172 WeakPolarHBondContact O-CB 3.18Å; I168-R172 PolarHBondContact O-N 3.21Å; I170-R172 VanDerWaalsContact C-N 3.3Å; I170-R172 PolarHBondContact O-N 2.84Å; R172-N174 VanDerWaalsContact C-N 3.32Å
173	G	83.1	Confident	91.2	Very high	69 Å²	69	112.1 Å²	112.1	71%	0.711	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-9.8	178.5	0	0	0	0	0	114.6	I170 A171	I170-G173 PolarHBondContact O-N 3.12Å; A171-G173 PolarHBondContact O-N 2.77Å
174	N	60.3	Low	90.7	Very high	213 Å²	213	119.9 Å²	119.9	100%	1.139	64%	0.64	S	S	*	*			trans	-88.7	0	166.8	-88.4	0.6	0	0	0	110.5	R172	R172-N174 VanDerWaalsContact C-N 3.32Å

Retrieved 174 of 174 residues in 110.5 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).