A0A5K4F7Y8_SCHMA Loading...

WAT1-related protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F7Y8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 101 aa.

						>A0A5K4F7Y8_SCHMA|A0A5K4F7Y8
MFEVLLPLMVGLIWGSTNICMKYNSNKTLKLLAFIFLNQSASILLMFGFRYTRLSRGVAIANSTALLASALTSSCVYHDKMKFSGSVGVVLICVGTGLLNS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	82.3	Confident	93.2	Very high	205 Å²	205	68.8 Å²	68.8	100%	1.01	34%	0.342	S	S	*	.				0	-54.5	0	-66.7	-175.5	178.5	0	0	112	E3 V4 L5	M1-E3 PolarHBondContact O-N 3.47Å; M1-V4 PolarHBondContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.04Å
2	F	88.7	Confident	93.6	Very high	126 Å²	126	69.3 Å²	69.3	55%	0.553	35%	0.346	S	S	*	.	H	α-helix	trans	-56.4	-30.4	178.4	-75	-75.6	0	0	0	114.6	V4 L5 L6 Y51	F2-V4 PolarHBondContact O-N 2.93Å; F2-V4 VanDerWaalsContact O-N 3.13Å; F2-L5 PolarHBondContact O-N 2.91Å; F2-L6 HydrophobicContact CB-CD1 4.05Å; F2-L6 HydrophobicContact CD1-CD1 3.93Å; F2-L6 HydrophobicContact CD1-CG 4.2Å; F2-L6 HydrophobicContact CG-CD1 4.43Å; F2-L6 WeakPolarHBondContact O-CB 3.48Å; F2-L6 PolarHBondContact O-N 3.16Å; F2-L6 VanDerWaalsContact O-N 3.09Å; F2-Y51 HydrophobicContact CB-CG 4.36Å
3	E	90.8	Very high	94	Very high	88 Å²	88	67.2 Å²	67.2	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-57.6	-28.6	-178.4	-42.5	-168.8	167.6	0	0	114.7	M1 P7 Y51 T52	M1-E3 PolarHBondContact O-N 3.47Å; E3-P7 WeakPolarHBondContact O-CD 3.32Å; E3-P7 WeakPolarHBondContact O-CG 3.49Å; E3-Y51 VanDerWaalsContact CD-O 3.27Å; E3-Y51 WeakPolarHBondContact CG-O 3.12Å; E3-T52 WeakPolarHBondContact O-CB 3.24Å; E3-T52 PolarHBondContact O-OG1 3.36Å
4	V	91.5	Very high	94.3	Very high	61 Å²	61	65.1 Å²	65.1	37%	0.37	32%	0.323	S	S	.	.	H	α-helix	trans	-106.8	-43	179.9	179.2	0	0	0	0	110.4	M1 F2 L6 P7 L8 I60	M1-V4 PolarHBondContact O-N 3.12Å; F2-V4 PolarHBondContact O-N 2.93Å; F2-V4 VanDerWaalsContact O-N 3.13Å; V4-L6 PolarHBondContact O-N 2.85Å; V4-P7 WeakPolarHBondContact O-CD 3.48Å; V4-L8 VanDerWaalsContact O-CB 3.25Å; V4-L8 WeakPolarHBondContact O-CB 3.25Å; V4-L8 PolarHBondContact O-N 2.98Å; V4-I60 HydrophobicContact CG1-CD1 4.43Å; V4-I60 HydrophobicContact CG2-CD1 4.32Å
5	L	93.7	Very high	94.5	Very high	95 Å²	95	60.8 Å²	60.8	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-42.6	-175.3	-176.6	62.5	0	0	0	112.5	M1 F2 L8 M9	M1-L5 PolarHBondContact O-N 3.04Å; F2-L5 PolarHBondContact O-N 2.91Å; L5-L8 PolarHBondContact O-N 2.97Å; L5-M9 HydrophobicContact CD1-CG 4.31Å; L5-M9 WeakPolarHBondContact O-CB 3.27Å; L5-M9 VanDerWaalsContact O-CG 3.29Å; L5-M9 WeakPolarHBondContact O-CG 3.17Å; L5-M9 PolarHBondContact O-N 2.9Å
6	L	95	Very high	94.7	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-55.4	179.6	-84.2	162	0	0	0	111.6	F2 V4 L8 M9 V10 L44 Y51	F2-L6 HydrophobicContact CB-CD1 4.05Å; F2-L6 HydrophobicContact CD1-CD1 3.93Å; F2-L6 HydrophobicContact CD1-CG 4.2Å; F2-L6 HydrophobicContact CG-CD1 4.43Å; F2-L6 WeakPolarHBondContact O-CB 3.48Å; F2-L6 PolarHBondContact O-N 3.16Å; F2-L6 VanDerWaalsContact O-N 3.09Å; V4-L6 PolarHBondContact O-N 2.85Å; L6-L8 VanDerWaalsContact C-N 3.27Å; L6-L8 PolarHBondContact O-N 3.08Å; L6-M9 PolarHBondContact O-N 3.33Å; L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.2Å; L6-L44 HydrophobicContact CD2-CD1 3.48Å; L6-L44 VanDerWaalsContact CD2-CD1 3.48Å; L6-L44 HydrophobicContact CD2-CD2 4.01Å; L6-L44 HydrophobicContact CD2-CG 3.6Å; L6-Y51 HydrophobicContact CD1-CD2 4.09Å; L6-Y51 HydrophobicContact CD1-CE2 4.47Å
7	P	95.6	Very high	94.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.7	-37.2	174.8	-29.1	36.4	0	0	0	114.4	E3 V4 V10 G11 L45 T52 G57 I60 A61	E3-P7 WeakPolarHBondContact O-CD 3.32Å; E3-P7 WeakPolarHBondContact O-CG 3.49Å; V4-P7 WeakPolarHBondContact O-CD 3.48Å; P7-V10 PolarHBondContact O-N 3.45Å; P7-G11 PolarHBondContact O-N 3.45Å; P7-L45 HydrophobicContact CB-CD1 4.22Å; P7-L45 HydrophobicContact CG-CD1 4.2Å; P7-T52 HydrophobicContact CG-CG2 4.13Å; P7-G57 WeakPolarHBondContact CB-O 3.24Å; P7-I60 HydrophobicContact CB-CB 3.77Å; P7-I60 HydrophobicContact CB-CG2 3.71Å; P7-A61 HydrophobicContact CB-CB 4.19Å; P7-A61 WeakPolarHBondContact O-CA 3.32Å
8	L	95.3	Very high	95	Very high	66 Å²	66	57.7 Å²	57.7	35%	0.346	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-47.4	178.5	-167.2	156.5	0	0	0	110.9	V4 L5 L6 V10 G11 L12 I60 T64	V4-L8 VanDerWaalsContact O-CB 3.25Å; V4-L8 WeakPolarHBondContact O-CB 3.25Å; V4-L8 PolarHBondContact O-N 2.98Å; L5-L8 PolarHBondContact O-N 2.97Å; L6-L8 VanDerWaalsContact C-N 3.27Å; L6-L8 PolarHBondContact O-N 3.08Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 PolarHBondContact O-N 3Å; L8-G11 PolarHBondContact O-N 3.45Å; L8-L12 HydrophobicContact CD2-CD1 3.8Å; L8-L12 HydrophobicContact CD2-CG 4.22Å; L8-L12 WeakPolarHBondContact O-CG 3.01Å; L8-L12 PolarHBondContact O-N 3.13Å; L8-I60 HydrophobicContact CB-CG2 4.37Å; L8-T64 HydrophobicContact CG-CG2 4.24Å; L8-T64 WeakPolarHBondContact O-CG2 3.33Å
9	M	96.8	Very high	95.1	Very high	91 Å²	91	55.8 Å²	55.8	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-43.3	174.5	-71.8	-62.6	-65.8	0	0	111.9	L5 L6 G11 L12 I13	L5-M9 HydrophobicContact CD1-CG 4.31Å; L5-M9 WeakPolarHBondContact O-CB 3.27Å; L5-M9 VanDerWaalsContact O-CG 3.29Å; L5-M9 WeakPolarHBondContact O-CG 3.17Å; L5-M9 PolarHBondContact O-N 2.9Å; L6-M9 PolarHBondContact O-N 3.33Å; M9-G11 VanDerWaalsContact C-N 3.34Å; M9-G11 PolarHBondContact O-N 3Å; M9-L12 PolarHBondContact O-N 3.26Å; M9-L12 HydrophobicContact SD-CD1 4.49Å; M9-I13 WeakPolarHBondContact O-CG1 3.32Å; M9-I13 PolarHBondContact O-N 3.45Å
10	V	98.1	Very high	95.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-47.2	175.8	169.5	0	0	0	0	110.8	L6 P7 L8 L12 I13 W14 A41 L44 L45 A61	L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.2Å; P7-V10 PolarHBondContact O-N 3.45Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 PolarHBondContact O-N 3Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.28Å; V10-I13 PolarHBondContact O-N 2.91Å; V10-W14 HydrophobicContact CG1-CD2 3.68Å; V10-W14 HydrophobicContact CG1-CE3 4.05Å; V10-W14 HydrophobicContact CG1-CG 4.17Å; V10-W14 HydrophobicContact CG1-CH2 4.27Å; V10-W14 HydrophobicContact CG1-CZ2 3.91Å; V10-W14 HydrophobicContact CG1-CZ3 4.32Å; V10-W14 WeakPolarHBondContact O-CB 3.47Å; V10-W14 PolarHBondContact O-N 3.31Å; V10-A41 HydrophobicContact CG1-CB 4.21Å; V10-A41 HydrophobicContact CG2-CB 4.45Å; V10-A41 WeakPolarHBondContact CG2-O 3.34Å; V10-L44 HydrophobicContact CG2-CB 4.2Å; V10-L44 HydrophobicContact CG2-CD2 4.2Å; V10-L44 HydrophobicContact CG2-CG 4.25Å; V10-L45 HydrophobicContact CB-CB 4.48Å; V10-L45 HydrophobicContact CB-CD1 4.38Å; V10-L45 HydrophobicContact CG1-CB 3.99Å; V10-L45 HydrophobicContact CG1-CD1 4.31Å; V10-L45 HydrophobicContact CG1-CD2 4.22Å; V10-L45 HydrophobicContact CG1-CG 4.39Å; V10-L45 HydrophobicContact CG2-CB 3.95Å; V10-L45 HydrophobicContact CG2-CD1 4.3Å; V10-A61 HydrophobicContact CB-CB 4.5Å; V10-A61 HydrophobicContact CG1-CB 4.19Å
11	G	97.7	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-44.7	178.6	0	0	0	0	0	112.4	P7 L8 M9 I13 W14 G15 A61 A65	P7-G11 PolarHBondContact O-N 3.45Å; L8-G11 PolarHBondContact O-N 3.45Å; M9-G11 VanDerWaalsContact C-N 3.34Å; M9-G11 PolarHBondContact O-N 3Å; G11-I13 VanDerWaalsContact C-N 3.31Å; G11-I13 PolarHBondContact O-N 3.4Å; G11-W14 PolarHBondContact O-N 2.89Å; G11-G15 PolarHBondContact O-N 3.23Å; G11-A61 WeakPolarHBondContact CA-O 3.4Å; G11-A65 WeakPolarHBondContact O-CA 3.36Å; G11-A65 WeakPolarHBondContact O-CB 3.35Å
12	L	97.8	Very high	95.9	Very high	74 Å²	74	49.4 Å²	49.4	39%	0.387	25%	0.249	S	C	.	.	H	α-helix	trans	-57.9	-44.5	175.6	-69.6	176.2	0	0	0	111.9	L8 M9 V10 S16 T64 A68	L8-L12 HydrophobicContact CD2-CD1 3.8Å; L8-L12 HydrophobicContact CD2-CG 4.22Å; L8-L12 WeakPolarHBondContact O-CG 3.01Å; L8-L12 PolarHBondContact O-N 3.13Å; M9-L12 PolarHBondContact O-N 3.26Å; M9-L12 HydrophobicContact SD-CD1 4.49Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.28Å; L12-S16 WeakPolarHBondContact O-CB 3.31Å; L12-S16 PolarHBondContact O-N 3.37Å; L12-S16 VanDerWaalsContact O-N 3.11Å; L12-S16 PolarHBondContact O-OG 3.5Å; L12-T64 HydrophobicContact CD2-CG2 3.9Å; L12-T64 HydrophobicContact CG-CG2 3.89Å; L12-A68 HydrophobicContact CD2-CB 4.13Å
13	I	98.3	Very high	96.2	Very high	42 Å²	42	47 Å²	47	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-50.9	178.6	-64.4	165.2	0	0	0	110.5	M9 V10 G11 G15 S16 T17 L37 A41	M9-I13 WeakPolarHBondContact O-CG1 3.32Å; M9-I13 PolarHBondContact O-N 3.45Å; V10-I13 PolarHBondContact O-N 2.91Å; G11-I13 VanDerWaalsContact C-N 3.31Å; G11-I13 PolarHBondContact O-N 3.4Å; I13-G15 PolarHBondContact O-N 3.13Å; I13-S16 PolarHBondContact O-N 3.13Å; I13-T17 HydrophobicContact CG2-CG2 4.03Å; I13-T17 VanDerWaalsContact O-CB 3.3Å; I13-T17 WeakPolarHBondContact O-CB 3.28Å; I13-T17 VanDerWaalsContact O-CG2 3.26Å; I13-T17 WeakPolarHBondContact O-CG2 3.32Å; I13-T17 PolarHBondContact O-N 2.87Å; I13-T17 PolarHBondContact O-OG1 2.82Å; I13-L37 HydrophobicContact CG2-CD1 4.3Å; I13-L37 HydrophobicContact CG2-CD2 4.46Å; I13-L37 HydrophobicContact CG2-CG 3.82Å; I13-A41 HydrophobicContact CB-CB 3.82Å; I13-A41 HydrophobicContact CD1-CB 4.01Å; I13-A41 HydrophobicContact CG2-CB 3.62Å
14	W	98.5	Very high	96.4	Very high	39 Å²	39	43.4 Å²	43.4	15%	0.148	22%	0.22	C	C	.	.	H	α-helix	trans	-57.3	-49.3	179.6	-78.6	-5.6	0	0	0	112.1	V10 G11 S16 T17 N18 N38 S42 L45 A61 A65	V10-W14 HydrophobicContact CG1-CD2 3.68Å; V10-W14 HydrophobicContact CG1-CE3 4.05Å; V10-W14 HydrophobicContact CG1-CG 4.17Å; V10-W14 HydrophobicContact CG1-CH2 4.27Å; V10-W14 HydrophobicContact CG1-CZ2 3.91Å; V10-W14 HydrophobicContact CG1-CZ3 4.32Å; V10-W14 WeakPolarHBondContact O-CB 3.47Å; V10-W14 PolarHBondContact O-N 3.31Å; G11-W14 PolarHBondContact O-N 2.89Å; W14-S16 PolarHBondContact O-N 3.47Å; W14-T17 PolarHBondContact O-N 3.31Å; W14-T17 PolarHBondContact O-OG1 3Å; W14-N18 VanDerWaalsContact O-CB 3.25Å; W14-N18 WeakPolarHBondContact O-CB 3.41Å; W14-N18 PolarHBondContact O-N 2.72Å; W14-N18 PolarHBondContact O-ND2 2.89Å; W14-N18 PolarHBondContact O-OD1 3Å; W14-N38 PolarHBondContact NE1-O 2.95Å; W14-S42 WeakPolarHBondContact CZ2-OG 3.49Å; W14-S42 PolarHBondContact NE1-OG 3.36Å; W14-L45 HydrophobicContact CH2-CD2 3.42Å; W14-L45 VanDerWaalsContact CH2-CD2 3.42Å; W14-L45 HydrophobicContact CZ2-CD2 3.99Å; W14-L45 HydrophobicContact CZ3-CD2 4.07Å; W14-A61 HydrophobicContact CE3-CB 4.49Å; W14-A61 HydrophobicContact CZ3-CB 4.22Å; W14-A65 HydrophobicContact CB-CB 3.92Å
15	G	97.5	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-44.2	-178.3	0	0	0	0	0	113	G11 I13 I19 A65 S69	G11-G15 PolarHBondContact O-N 3.23Å; I13-G15 PolarHBondContact O-N 3.13Å; G15-I19 WeakPolarHBondContact O-CG1 3.36Å; G15-I19 PolarHBondContact O-N 3.42Å; G15-A65 WeakPolarHBondContact CA-O 3.23Å; G15-S69 WeakPolarHBondContact CA-OG 3.48Å; G15-S69 PolarHBondContact O-OG 3.4Å
16	S	97.5	Very high	96.6	Very high	44 Å²	44	46.5 Å²	46.5	31%	0.308	24%	0.24	S	C	.	.	H	α-helix	trans	-67.1	-44.9	179.3	-50.9	0	0	0	0	111.8	L12 I13 W14 C20 T72	L12-S16 WeakPolarHBondContact O-CB 3.31Å; L12-S16 PolarHBondContact O-N 3.37Å; L12-S16 VanDerWaalsContact O-N 3.11Å; L12-S16 PolarHBondContact O-OG 3.5Å; I13-S16 PolarHBondContact O-N 3.13Å; W14-S16 PolarHBondContact O-N 3.47Å; S16-C20 WeakPolarHBondContact O-CB 3.39Å; S16-C20 PolarHBondContact O-N 2.79Å; S16-C20 PolarHBondContact O-SG 2.76Å; S16-T72 WeakPolarHBondContact CA-OG1 3.31Å; S16-T72 PolarHBondContact OG-OG1 3.07Å
17	T	98.1	Very high	96.6	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-68.9	-39.8	-178.9	52.6	0	0	0	0	112.3	I13 W14 I19 C20 M21 F34 L37 N38	I13-T17 HydrophobicContact CG2-CG2 4.03Å; I13-T17 VanDerWaalsContact O-CB 3.3Å; I13-T17 WeakPolarHBondContact O-CB 3.28Å; I13-T17 VanDerWaalsContact O-CG2 3.26Å; I13-T17 WeakPolarHBondContact O-CG2 3.32Å; I13-T17 PolarHBondContact O-N 2.87Å; I13-T17 PolarHBondContact O-OG1 2.82Å; W14-T17 PolarHBondContact O-N 3.31Å; W14-T17 PolarHBondContact O-OG1 3Å; T17-I19 VanDerWaalsContact C-N 3.32Å; T17-I19 PolarHBondContact O-N 3.13Å; T17-C20 CarbonylContact O-C 3.58Å; T17-C20 PolarHBondContact O-N 3.15Å; T17-C20 VanDerWaalsContact O-N 3.15Å; T17-M21 VanDerWaalsContact O-CG 3.28Å; T17-M21 WeakPolarHBondContact O-CG 3.46Å; T17-M21 PolarHBondContact O-N 2.77Å; T17-F34 HydrophobicContact CG2-CD1 4.31Å; T17-L37 HydrophobicContact CG2-CB 4.12Å; T17-L37 HydrophobicContact CG2-CD2 3.77Å; T17-L37 HydrophobicContact CG2-CG 3.94Å; T17-N38 HydrophobicContact CG2-CB 4.48Å; T17-N38 WeakPolarHBondContact OG1-CB 3.33Å; T17-N38 PolarHBondContact OG1-ND2 3.22Å
18	N	97.3	Very high	96.5	Very high	79 Å²	79	56.1 Å²	56.1	42%	0.422	29%	0.291	S	S	.	.	H	α-helix	trans	-57.6	-45.5	177.9	-74.5	-12.4	0	0	0	111.7	W14 M21 K22 N38	W14-N18 VanDerWaalsContact O-CB 3.25Å; W14-N18 WeakPolarHBondContact O-CB 3.41Å; W14-N18 PolarHBondContact O-N 2.72Å; W14-N18 PolarHBondContact O-ND2 2.89Å; W14-N18 PolarHBondContact O-OD1 3Å; N18-M21 PolarHBondContact O-N 3.39Å; N18-K22 PolarHBondContact O-N 3.41Å; N18-K22 VanDerWaalsContact O-N 3.13Å; N18-N38 PolarHBondContact OD1-ND2 3.11Å
19	I	96.5	Very high	96.6	Very high	22 Å²	22	60 Å²	60	11%	0.113	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-47.3	175.4	-61.7	-59	0	0	0	110.4	G15 T17 M21 K22 Y23 S69 T72 Y77	G15-I19 WeakPolarHBondContact O-CG1 3.36Å; G15-I19 PolarHBondContact O-N 3.42Å; T17-I19 VanDerWaalsContact C-N 3.32Å; T17-I19 PolarHBondContact O-N 3.13Å; I19-M21 VanDerWaalsContact C-N 3.3Å; I19-M21 PolarHBondContact O-N 3.31Å; I19-K22 WeakPolarHBondContact O-CB 3.46Å; I19-K22 PolarHBondContact O-N 3.03Å; I19-K22 VanDerWaalsContact O-N 3.13Å; I19-Y23 HydrophobicContact CG2-CD2 3.81Å; I19-Y23 HydrophobicContact CG2-CE2 3.81Å; I19-Y23 WeakPolarHBondContact O-CD2 3.47Å; I19-Y23 PolarHBondContact O-N 3.26Å; I19-Y23 VanDerWaalsContact O-N 3.13Å; I19-S69 WeakPolarHBondContact CG1-O 3.25Å; I19-T72 HydrophobicContact CB-CG2 3.89Å; I19-T72 HydrophobicContact CG2-CG2 3.82Å; I19-Y77 HydrophobicContact CG2-CD2 3.55Å; I19-Y77 HydrophobicContact CG2-CE2 3.71Å
20	C	96.5	Very high	96.5	Very high	17 Å²	17	61.1 Å²	61.1	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-37	178.2	-75	0	0	0	0	113.4	S16 T17 Y23 N24 F34	S16-C20 WeakPolarHBondContact O-CB 3.39Å; S16-C20 PolarHBondContact O-N 2.79Å; S16-C20 PolarHBondContact O-SG 2.76Å; T17-C20 CarbonylContact O-C 3.58Å; T17-C20 PolarHBondContact O-N 3.15Å; T17-C20 VanDerWaalsContact O-N 3.15Å; C20-Y23 PolarHBondContact O-N 3.47Å; C20-N24 VanDerWaalsContact O-CB 3.27Å; C20-N24 WeakPolarHBondContact O-CB 3.34Å; C20-N24 PolarHBondContact O-N 3.37Å; C20-N24 PolarHBondContact O-ND2 3.15Å; C20-F34 HydrophobicContact CB-CD1 3.81Å; C20-F34 HydrophobicContact CB-CD2 3.75Å; C20-F34 HydrophobicContact CB-CE1 3.66Å; C20-F34 HydrophobicContact CB-CE2 3.61Å; C20-F34 HydrophobicContact CB-CG 3.87Å; C20-F34 HydrophobicContact CB-CZ 3.56Å
21	M	97.2	Very high	96.5	Very high	34 Å²	34	63.2 Å²	63.2	17%	0.167	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-44.2	173.9	-70.5	-174.3	-141.5	0	0	111.6	T17 N18 I19 Y23 N24 S25 L31 F34 I35 N38	T17-M21 VanDerWaalsContact O-CG 3.28Å; T17-M21 WeakPolarHBondContact O-CG 3.46Å; T17-M21 PolarHBondContact O-N 2.77Å; N18-M21 PolarHBondContact O-N 3.39Å; I19-M21 VanDerWaalsContact C-N 3.3Å; I19-M21 PolarHBondContact O-N 3.31Å; M21-Y23 VanDerWaalsContact C-N 3.34Å; M21-Y23 PolarHBondContact O-N 3.43Å; M21-N24 CarbonylContact O-C 3.4Å; M21-N24 PolarHBondContact O-N 3.46Å; M21-S25 PolarHBondContact O-N 3.25Å; M21-S25 VanDerWaalsContact O-N 3.08Å; M21-L31 HydrophobicContact CB-CD1 3.85Å; M21-L31 HydrophobicContact CG-CD1 3.95Å; M21-F34 HydrophobicContact CE-CB 4.22Å; M21-F34 VanDerWaalsContact CE-O 3.31Å; M21-F34 WeakPolarHBondContact CE-O 3.5Å; M21-F34 HydrophobicContact CG-CB 3.61Å; M21-I35 HydrophobicContact CE-CG1 4.17Å; M21-I35 HydrophobicContact CG-CG1 4.47Å; M21-I35 HydrophobicContact SD-CG1 3.64Å; M21-N38 HydrophobicContact CE-CB 3.31Å
22	K	95.4	Very high	96.5	Very high	130 Å²	130	67 Å²	67	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-56.2	-46.7	177	180	-171.5	172.7	-163.5	0	111.7	N18 I19	N18-K22 PolarHBondContact O-N 3.41Å; N18-K22 VanDerWaalsContact O-N 3.13Å; I19-K22 WeakPolarHBondContact O-CB 3.46Å; I19-K22 PolarHBondContact O-N 3.03Å; I19-K22 VanDerWaalsContact O-N 3.13Å
23	Y	95.4	Very high	96.5	Very high	76 Å²	76	66.3 Å²	66.3	30%	0.298	35%	0.349	S	S	.	.	H	α-helix	trans	-83.6	-16.1	-177.5	-75.7	-86.5	0	0	0	114.8	I19 C20 M21 Y77 D79	I19-Y23 HydrophobicContact CG2-CD2 3.81Å; I19-Y23 HydrophobicContact CG2-CE2 3.81Å; I19-Y23 WeakPolarHBondContact O-CD2 3.47Å; I19-Y23 PolarHBondContact O-N 3.26Å; I19-Y23 VanDerWaalsContact O-N 3.13Å; C20-Y23 PolarHBondContact O-N 3.47Å; M21-Y23 VanDerWaalsContact C-N 3.34Å; M21-Y23 PolarHBondContact O-N 3.43Å; Y23-Y77 VanDerWaalsContact CB-CZ 3.48Å; Y23-Y77 AromaticContact CD1-CD1 3.38Å; Y23-Y77 HydrophobicContact CD1-CD1 3.38Å; Y23-Y77 AromaticContact CD1-CE1 3.85Å; Y23-Y77 HydrophobicContact CD1-CE1 3.85Å; Y23-Y77 AromaticContact CD1-CG 3.86Å; Y23-Y77 HydrophobicContact CD1-CG 3.86Å; Y23-Y77 AromaticContact CD2-CD1 3.66Å; Y23-Y77 HydrophobicContact CD2-CD1 3.66Å; Y23-Y77 AromaticContact CD2-CD2 3.52Å; Y23-Y77 HydrophobicContact CD2-CD2 3.52Å; Y23-Y77 AromaticContact CD2-CE1 3.87Å; Y23-Y77 HydrophobicContact CD2-CE1 3.87Å; Y23-Y77 AromaticContact CD2-CE2 3.74Å; Y23-Y77 HydrophobicContact CD2-CE2 3.74Å; Y23-Y77 AromaticContact CD2-CG 3.47Å; Y23-Y77 HydrophobicContact CD2-CG 3.47Å; Y23-Y77 VanDerWaalsContact CD2-CG 3.47Å; Y23-Y77 AromaticContact CD2-CZ 3.91Å; Y23-Y77 AromaticContact CE1-CD1 3.84Å; Y23-Y77 HydrophobicContact CE1-CD1 3.84Å; Y23-Y77 AromaticContact CE1-CG 3.92Å; Y23-Y77 HydrophobicContact CE1-CG 3.92Å; Y23-Y77 HydrophobicContact CE2-CD1 4.11Å; Y23-Y77 AromaticContact CE2-CD2 3.76Å; Y23-Y77 HydrophobicContact CE2-CD2 3.76Å; Y23-Y77 HydrophobicContact CE2-CE2 4.42Å; Y23-Y77 AromaticContact CE2-CG 3.57Å; Y23-Y77 HydrophobicContact CE2-CG 3.57Å; Y23-Y77 AromaticContact CG-CD1 3.29Å; Y23-Y77 HydrophobicContact CG-CD1 3.29Å; Y23-Y77 HydrophobicContact CG-CD2 4.05Å; Y23-Y77 AromaticContact CG-CE1 3.38Å; Y23-Y77 HydrophobicContact CG-CE1 3.38Å; Y23-Y77 HydrophobicContact CG-CE2 4.12Å; Y23-Y77 AromaticContact CG-CG 3.64Å; Y23-Y77 HydrophobicContact CG-CG 3.64Å; Y23-Y77 AromaticContact CG-CZ 3.8Å; Y23-Y77 AromaticContact CZ-CG 3.78Å; Y23-D79 PolarHBondContact OH-OD1 3.41Å; Y23-D79 PolarHBondContact OH-OD2 3.09Å
24	N	94.7	Very high	96.5	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.064	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	23.2	179.1	-63.3	-88	0	0	0	112.5	C20 M21 N26 K27 K30 F34 Y77	C20-N24 VanDerWaalsContact O-CB 3.27Å; C20-N24 WeakPolarHBondContact O-CB 3.34Å; C20-N24 PolarHBondContact O-N 3.37Å; C20-N24 PolarHBondContact O-ND2 3.15Å; M21-N24 CarbonylContact O-C 3.4Å; M21-N24 PolarHBondContact O-N 3.46Å; N24-N26 PolarHBondContact O-N 3.06Å; N24-N26 VanDerWaalsContact O-N 3.16Å; N24-K27 HydrophobicContact CB-CB 4.41Å; N24-K27 PolarHBondContact O-N 2.85Å; N24-K30 HydrophobicContact CB-CB 4.35Å; N24-F34 HydrophobicContact CB-CE2 4.25Å; N24-Y77 PolarHBondContact ND2-OH 3.14Å
25	S	95	Very high	96.4	Very high	66 Å²	66	67.9 Å²	67.9	46%	0.462	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.6	-178.9	56.5	0	0	0	0	113.6	M21 K27	M21-S25 PolarHBondContact O-N 3.25Å; M21-S25 VanDerWaalsContact O-N 3.08Å; S25-K27 VanDerWaalsContact C-N 3.35Å
26	N	95.3	Very high	96.5	Very high	155 Å²	155	74.1 Å²	74.1	83%	0.829	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.2	178.7	-62.7	-28.8	0	0	0	114.1	N24	N24-N26 PolarHBondContact O-N 3.06Å; N24-N26 VanDerWaalsContact O-N 3.16Å
27	K	94.2	Very high	96.5	Very high	113 Å²	113	76.1 Å²	76.1	49%	0.491	39%	0.392	S	S	.	.			trans	-112.3	83	-175.7	-63.2	-178.7	-171.7	165.1	0	110	N24 S25 L29 K30 L31	N24-K27 HydrophobicContact CB-CB 4.41Å; N24-K27 PolarHBondContact O-N 2.85Å; S25-K27 VanDerWaalsContact C-N 3.35Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 2.83Å; K27-L29 VanDerWaalsContact O-N 3.12Å; K27-K30 HydrophobicContact CB-CB 4.12Å; K27-K30 HydrophobicContact CD-CD 4.02Å; K27-K30 PolarHBondContact O-N 3.27Å; K27-L31 WeakPolarHBondContact O-CB 3.36Å; K27-L31 PolarHBondContact O-N 3.08Å
28	T	93.8	Very high	96.5	Very high	114 Å²	114	76.6 Å²	76.6	70%	0.699	40%	0.395	S	S	*	.	H	α-helix	trans	-45	-50.2	-170.1	-47.1	0	0	0	0	114.2	L31 L32	T28-L31 PolarHBondContact O-N 3.17Å; T28-L32 VanDerWaalsContact O-CB 3.25Å; T28-L32 WeakPolarHBondContact O-CB 3.47Å; T28-L32 PolarHBondContact O-N 3.44Å
29	L	96.5	Very high	96.5	Very high	148 Å²	148	77.8 Å²	77.8	78%	0.775	40%	0.397	S	S	*	.	H	α-helix	trans	-66	-41.9	-178.1	-172.4	65.1	0	0	0	112.7	K27 A33	K27-L29 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 2.83Å; K27-L29 VanDerWaalsContact O-N 3.12Å; L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 3.36Å
30	K	95.5	Very high	96.6	Very high	114 Å²	114	79.9 Å²	79.9	50%	0.496	41%	0.414	S	S	.	.	H	α-helix	trans	-69.2	-43.9	177.8	-70.7	-172.4	178.2	-173.3	0	111.1	N24 K27 L32 A33 F34	N24-K30 HydrophobicContact CB-CB 4.35Å; K27-K30 HydrophobicContact CB-CB 4.12Å; K27-K30 HydrophobicContact CD-CD 4.02Å; K27-K30 PolarHBondContact O-N 3.27Å; K30-L32 VanDerWaalsContact C-N 3.31Å; K30-L32 PolarHBondContact O-N 2.88Å; K30-A33 PolarHBondContact O-N 2.91Å; K30-F34 HydrophobicContact CB-CE2 4.19Å; K30-F34 WeakPolarHBondContact O-CD2 3.26Å; K30-F34 WeakPolarHBondContact O-CG 3.3Å; K30-F34 PolarHBondContact O-N 3.16Å
31	L	97.4	Very high	96.7	Very high	44 Å²	44	79.1 Å²	79.1	23%	0.23	41%	0.409	C	S	.	.	H	α-helix	trans	-55.9	-49.1	175.5	179	63.2	0	0	0	110.5	M21 K27 T28 A33 F34 I35	M21-L31 HydrophobicContact CB-CD1 3.85Å; M21-L31 HydrophobicContact CG-CD1 3.95Å; K27-L31 WeakPolarHBondContact O-CB 3.36Å; K27-L31 PolarHBondContact O-N 3.08Å; T28-L31 PolarHBondContact O-N 3.17Å; L31-A33 PolarHBondContact O-N 2.64Å; L31-F34 PolarHBondContact O-N 3.48Å; L31-I35 HydrophobicContact CD1-CD1 4.21Å; L31-I35 HydrophobicContact CD1-CG1 4.48Å; L31-I35 HydrophobicContact CG-CD1 3.9Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.03Å
32	L	97.7	Very high	96.7	Very high	80 Å²	80	78.7 Å²	78.7	42%	0.419	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-41.8	179.9	-170.3	62.4	0	0	0	111.8	T28 K30 F34 I35 F36	T28-L32 VanDerWaalsContact O-CB 3.25Å; T28-L32 WeakPolarHBondContact O-CB 3.47Å; T28-L32 PolarHBondContact O-N 3.44Å; K30-L32 VanDerWaalsContact C-N 3.31Å; K30-L32 PolarHBondContact O-N 2.88Å; L32-F34 PolarHBondContact O-N 3.48Å; L32-I35 PolarHBondContact O-N 3.13Å; L32-F36 HydrophobicContact CD1-CD2 4.04Å; L32-F36 HydrophobicContact CD1-CE2 3.59Å; L32-F36 HydrophobicContact CD1-CZ 4.32Å; L32-F36 HydrophobicContact CD2-CE2 3.92Å; L32-F36 HydrophobicContact CG-CD2 3.77Å; L32-F36 HydrophobicContact CG-CE2 3.46Å; L32-F36 VanDerWaalsContact CG-CE2 3.46Å; L32-F36 WeakPolarHBondContact O-CD2 3.2Å; L32-F36 PolarHBondContact O-N 3.12Å
33	A	97.8	Very high	96.7	Very high	59 Å²	59	77 Å²	77	49%	0.488	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-43.5	174.5	0	0	0	0	0	112.3	L29 K30 L31 F36 L37	L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 3.36Å; K30-A33 PolarHBondContact O-N 2.91Å; L31-A33 PolarHBondContact O-N 2.64Å; A33-F36 PolarHBondContact O-N 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.21Å; A33-L37 PolarHBondContact O-N 3.43Å
34	F	97.8	Very high	96.7	Very high	50 Å²	50	76.4 Å²	76.4	22%	0.219	41%	0.407	C	S	.	.	H	α-helix	trans	-66.4	-40.6	175.9	-65.7	-52.9	0	0	0	112	T17 C20 M21 N24 K30 L31 L32 L37 N38	T17-F34 HydrophobicContact CG2-CD1 4.31Å; C20-F34 HydrophobicContact CB-CD1 3.81Å; C20-F34 HydrophobicContact CB-CD2 3.75Å; C20-F34 HydrophobicContact CB-CE1 3.66Å; C20-F34 HydrophobicContact CB-CE2 3.61Å; C20-F34 HydrophobicContact CB-CG 3.87Å; C20-F34 HydrophobicContact CB-CZ 3.56Å; M21-F34 HydrophobicContact CE-CB 4.22Å; M21-F34 VanDerWaalsContact CE-O 3.31Å; M21-F34 WeakPolarHBondContact CE-O 3.5Å; M21-F34 HydrophobicContact CG-CB 3.61Å; N24-F34 HydrophobicContact CB-CE2 4.25Å; K30-F34 HydrophobicContact CB-CE2 4.19Å; K30-F34 WeakPolarHBondContact O-CD2 3.26Å; K30-F34 WeakPolarHBondContact O-CG 3.3Å; K30-F34 PolarHBondContact O-N 3.16Å; L31-F34 PolarHBondContact O-N 3.48Å; L32-F34 PolarHBondContact O-N 3.48Å; F34-L37 PolarHBondContact O-N 3.45Å; F34-N38 VanDerWaalsContact O-CB 3.31Å; F34-N38 WeakPolarHBondContact O-CB 3.42Å; F34-N38 PolarHBondContact O-N 3.3Å
35	I	97.9	Very high	96.8	Very high	65 Å²	65	76.2 Å²	76.2	33%	0.333	41%	0.406	S	S	.	.	H	α-helix	trans	-58.1	-50.5	175.1	-69.7	167.4	0	0	0	109.8	M21 L31 L32 L37 N38 Q39	M21-I35 HydrophobicContact CE-CG1 4.17Å; M21-I35 HydrophobicContact CG-CG1 4.47Å; M21-I35 HydrophobicContact SD-CG1 3.64Å; L31-I35 HydrophobicContact CD1-CD1 4.21Å; L31-I35 HydrophobicContact CD1-CG1 4.48Å; L31-I35 HydrophobicContact CG-CD1 3.9Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.03Å; L32-I35 PolarHBondContact O-N 3.13Å; I35-L37 VanDerWaalsContact C-N 3.32Å; I35-L37 PolarHBondContact O-N 3.16Å; I35-N38 PolarHBondContact O-N 3.35Å; I35-Q39 HydrophobicContact CG2-CG 4.29Å; I35-Q39 VanDerWaalsContact O-CG 3.32Å; I35-Q39 WeakPolarHBondContact O-CG 3.33Å; I35-Q39 PolarHBondContact O-N 3.43Å
36	F	98	Very high	96.9	Very high	131 Å²	131	79.4 Å²	79.4	58%	0.575	42%	0.415	S	S	*	.	H	α-helix	trans	-59.7	-42.1	178.1	-81.9	-62.8	0	0	0	112.8	L32 A33 Q39 S40	L32-F36 HydrophobicContact CD1-CD2 4.04Å; L32-F36 HydrophobicContact CD1-CE2 3.59Å; L32-F36 HydrophobicContact CD1-CZ 4.32Å; L32-F36 HydrophobicContact CD2-CE2 3.92Å; L32-F36 HydrophobicContact CG-CD2 3.77Å; L32-F36 HydrophobicContact CG-CE2 3.46Å; L32-F36 VanDerWaalsContact CG-CE2 3.46Å; L32-F36 WeakPolarHBondContact O-CD2 3.2Å; L32-F36 PolarHBondContact O-N 3.12Å; A33-F36 PolarHBondContact O-N 3.31Å; F36-Q39 PolarHBondContact O-N 2.83Å; F36-S40 WeakPolarHBondContact O-CB 3.32Å; F36-S40 PolarHBondContact O-N 3.2Å; F36-S40 PolarHBondContact O-OG 3.46Å
37	L	98.1	Very high	96.8	Very high	85 Å²	85	77.1 Å²	77.1	45%	0.445	40%	0.398	S	S	.	.	H	α-helix	trans	-65.2	-41.9	178.1	-176.6	59.4	0	0	0	111.7	I13 T17 A33 F34 I35 S40 A41	I13-L37 HydrophobicContact CG2-CD1 4.3Å; I13-L37 HydrophobicContact CG2-CD2 4.46Å; I13-L37 HydrophobicContact CG2-CG 3.82Å; T17-L37 HydrophobicContact CG2-CB 4.12Å; T17-L37 HydrophobicContact CG2-CD2 3.77Å; T17-L37 HydrophobicContact CG2-CG 3.94Å; A33-L37 WeakPolarHBondContact O-CB 3.21Å; A33-L37 PolarHBondContact O-N 3.43Å; F34-L37 PolarHBondContact O-N 3.45Å; I35-L37 VanDerWaalsContact C-N 3.32Å; I35-L37 PolarHBondContact O-N 3.16Å; L37-S40 PolarHBondContact O-N 2.97Å; L37-A41 PolarHBondContact O-N 3.22Å; L37-A41 VanDerWaalsContact O-N 3.13Å
38	N	98.2	Very high	96.8	Very high	15 Å²	15	71.8 Å²	71.8	8%	0.08	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-46.5	176.5	-173.3	-77.8	0	0	0	111.7	W14 T17 N18 M21 F34 I35 S40 A41 S42	W14-N38 PolarHBondContact NE1-O 2.95Å; T17-N38 HydrophobicContact CG2-CB 4.48Å; T17-N38 WeakPolarHBondContact OG1-CB 3.33Å; T17-N38 PolarHBondContact OG1-ND2 3.22Å; N18-N38 PolarHBondContact OD1-ND2 3.11Å; M21-N38 HydrophobicContact CE-CB 3.31Å; F34-N38 VanDerWaalsContact O-CB 3.31Å; F34-N38 WeakPolarHBondContact O-CB 3.42Å; F34-N38 PolarHBondContact O-N 3.3Å; I35-N38 PolarHBondContact O-N 3.35Å; N38-S40 VanDerWaalsContact C-N 3.33Å; N38-S40 PolarHBondContact O-N 3.48Å; N38-A41 WeakPolarHBondContact O-CB 3.48Å; N38-A41 PolarHBondContact O-N 3.37Å; N38-A41 VanDerWaalsContact O-N 3.17Å; N38-S42 PolarHBondContact O-N 2.88Å; N38-S42 VanDerWaalsContact O-N 3.08Å; N38-S42 PolarHBondContact O-OG 3.35Å
39	Q	98	Very high	96.8	Very high	103 Å²	103	69.3 Å²	69.3	48%	0.481	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-35.9	177	-65.7	-50	114.2	0	0	112.5	I35 F36 A41 S42 I43	I35-Q39 HydrophobicContact CG2-CG 4.29Å; I35-Q39 VanDerWaalsContact O-CG 3.32Å; I35-Q39 WeakPolarHBondContact O-CG 3.33Å; I35-Q39 PolarHBondContact O-N 3.43Å; F36-Q39 PolarHBondContact O-N 2.83Å; Q39-A41 VanDerWaalsContact C-N 3.29Å; Q39-A41 PolarHBondContact O-N 2.66Å; Q39-S42 WeakPolarHBondContact O-CB 3.24Å; Q39-S42 PolarHBondContact O-N 3.32Å; Q39-S42 VanDerWaalsContact O-N 3.11Å; Q39-I43 WeakPolarHBondContact O-CG1 3.3Å; Q39-I43 PolarHBondContact O-N 2.82Å
40	S	97.9	Very high	96.7	Very high	66 Å²	66	71.4 Å²	71.4	46%	0.462	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-38.8	174.1	-59.5	0	0	0	0	111.5	F36 L37 N38 I43 L44	F36-S40 WeakPolarHBondContact O-CB 3.32Å; F36-S40 PolarHBondContact O-N 3.2Å; F36-S40 PolarHBondContact O-OG 3.46Å; L37-S40 PolarHBondContact O-N 2.97Å; N38-S40 VanDerWaalsContact C-N 3.33Å; N38-S40 PolarHBondContact O-N 3.48Å; S40-I43 PolarHBondContact O-N 3.05Å; S40-L44 WeakPolarHBondContact O-CB 3.47Å; S40-L44 PolarHBondContact O-N 3.38Å
41	A	98	Very high	96.6	Very high	2 Å²	2	72.3 Å²	72.3	2%	0.017	35%	0.354	C	S	.	.	H	α-helix	trans	-66.5	-36	173.1	0	0	0	0	0	112.4	V10 I13 L37 N38 Q39 I43 L44 L45	V10-A41 HydrophobicContact CG1-CB 4.21Å; V10-A41 HydrophobicContact CG2-CB 4.45Å; V10-A41 WeakPolarHBondContact CG2-O 3.34Å; I13-A41 HydrophobicContact CB-CB 3.82Å; I13-A41 HydrophobicContact CD1-CB 4.01Å; I13-A41 HydrophobicContact CG2-CB 3.62Å; L37-A41 PolarHBondContact O-N 3.22Å; L37-A41 VanDerWaalsContact O-N 3.13Å; N38-A41 WeakPolarHBondContact O-CB 3.48Å; N38-A41 PolarHBondContact O-N 3.37Å; N38-A41 VanDerWaalsContact O-N 3.17Å; Q39-A41 VanDerWaalsContact C-N 3.29Å; Q39-A41 PolarHBondContact O-N 2.66Å; A41-I43 VanDerWaalsContact C-N 3.35Å; A41-I43 PolarHBondContact O-N 3.46Å; A41-L44 WeakPolarHBondContact O-CB 3.18Å; A41-L44 PolarHBondContact O-N 2.66Å; A41-L45 PolarHBondContact O-N 3.37Å
42	S	97.3	Very high	96.3	Very high	24 Å²	24	70.5 Å²	70.5	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-42	173.9	-55.4	0	0	0	0	112.2	W14 N38 Q39 L45 M46	W14-S42 WeakPolarHBondContact CZ2-OG 3.49Å; W14-S42 PolarHBondContact NE1-OG 3.36Å; N38-S42 PolarHBondContact O-N 2.88Å; N38-S42 VanDerWaalsContact O-N 3.08Å; N38-S42 PolarHBondContact O-OG 3.35Å; Q39-S42 WeakPolarHBondContact O-CB 3.24Å; Q39-S42 PolarHBondContact O-N 3.32Å; Q39-S42 VanDerWaalsContact O-N 3.11Å; S42-L45 PolarHBondContact O-N 2.88Å; S42-M46 WeakPolarHBondContact O-CG 3.33Å; S42-M46 PolarHBondContact O-N 2.96Å; S42-M46 VanDerWaalsContact O-N 3.12Å
43	I	97	Very high	96	Very high	94 Å²	94	76.6 Å²	76.6	48%	0.482	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-44.2	173.6	-66.6	167.6	0	0	0	110.4	Q39 S40 A41 L45 M46 F47	Q39-I43 WeakPolarHBondContact O-CG1 3.3Å; Q39-I43 PolarHBondContact O-N 2.82Å; S40-I43 PolarHBondContact O-N 3.05Å; A41-I43 VanDerWaalsContact C-N 3.35Å; A41-I43 PolarHBondContact O-N 3.46Å; I43-L45 VanDerWaalsContact C-N 3.28Å; I43-L45 PolarHBondContact O-N 3.47Å; I43-M46 WeakPolarHBondContact O-CB 3.36Å; I43-M46 PolarHBondContact O-N 3.11Å; I43-M46 VanDerWaalsContact O-N 3.16Å; I43-F47 HydrophobicContact CG2-CD2 3.88Å; I43-F47 HydrophobicContact CG2-CE2 3.47Å; I43-F47 VanDerWaalsContact CG2-CE2 3.47Å; I43-F47 WeakPolarHBondContact O-CD2 3.16Å; I43-F47 PolarHBondContact O-N 2.88Å; I43-F47 VanDerWaalsContact O-N 3.13Å
44	L	95.6	Very high	95.8	Very high	64 Å²	64	79.1 Å²	79.1	34%	0.335	37%	0.367	S	S	.	.	H	α-helix	trans	-59.5	-38.7	176.8	-173.7	63.2	0	0	0	112.1	L6 V10 S40 A41 F47 G48	L6-L44 HydrophobicContact CD2-CD1 3.48Å; L6-L44 VanDerWaalsContact CD2-CD1 3.48Å; L6-L44 HydrophobicContact CD2-CD2 4.01Å; L6-L44 HydrophobicContact CD2-CG 3.6Å; V10-L44 HydrophobicContact CG2-CB 4.2Å; V10-L44 HydrophobicContact CG2-CD2 4.2Å; V10-L44 HydrophobicContact CG2-CG 4.25Å; S40-L44 WeakPolarHBondContact O-CB 3.47Å; S40-L44 PolarHBondContact O-N 3.38Å; A41-L44 WeakPolarHBondContact O-CB 3.18Å; A41-L44 PolarHBondContact O-N 2.66Å; L44-F47 PolarHBondContact O-N 2.83Å; L44-G48 PolarHBondContact O-N 2.95Å
45	L	96.6	Very high	95.5	Very high	8 Å²	8	81 Å²	81	4%	0.042	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-41.1	175.8	-169.2	63.1	0	0	0	112.1	P7 V10 W14 A41 S42 I43 F47 G48 F49 A61	P7-L45 HydrophobicContact CB-CD1 4.22Å; P7-L45 HydrophobicContact CG-CD1 4.2Å; V10-L45 HydrophobicContact CB-CB 4.48Å; V10-L45 HydrophobicContact CB-CD1 4.38Å; V10-L45 HydrophobicContact CG1-CB 3.99Å; V10-L45 HydrophobicContact CG1-CD1 4.31Å; V10-L45 HydrophobicContact CG1-CD2 4.22Å; V10-L45 HydrophobicContact CG1-CG 4.39Å; V10-L45 HydrophobicContact CG2-CB 3.95Å; V10-L45 HydrophobicContact CG2-CD1 4.3Å; W14-L45 HydrophobicContact CH2-CD2 3.42Å; W14-L45 VanDerWaalsContact CH2-CD2 3.42Å; W14-L45 HydrophobicContact CZ2-CD2 3.99Å; W14-L45 HydrophobicContact CZ3-CD2 4.07Å; A41-L45 PolarHBondContact O-N 3.37Å; S42-L45 PolarHBondContact O-N 2.88Å; I43-L45 VanDerWaalsContact C-N 3.28Å; I43-L45 PolarHBondContact O-N 3.47Å; L45-F47 VanDerWaalsContact C-N 3.3Å; L45-F47 PolarHBondContact O-N 3.36Å; L45-G48 CarbonylContact O-C 3.57Å; L45-G48 VanDerWaalsContact O-CA 3.32Å; L45-G48 WeakPolarHBondContact O-CA 3.24Å; L45-G48 PolarHBondContact O-N 2.81Å; L45-F49 HydrophobicContact CD1-CE1 4.07Å; L45-F49 HydrophobicContact CD1-CZ 4.24Å; L45-F49 HydrophobicContact CD2-CE1 4.35Å; L45-F49 HydrophobicContact CD2-CE2 4.49Å; L45-F49 HydrophobicContact CD2-CZ 3.74Å; L45-F49 HydrophobicContact CG-CE1 3.89Å; L45-F49 HydrophobicContact CG-CE2 4.15Å; L45-F49 HydrophobicContact CG-CZ 3.55Å; L45-F49 PolarHBondContact O-N 3.39Å; L45-A61 HydrophobicContact CD1-CB 4.05Å; L45-A61 HydrophobicContact CD2-CB 4.15Å
46	M	95.9	Very high	95.2	Very high	133 Å²	133	82.1 Å²	82.1	66%	0.655	39%	0.387	S	S	*	.	H	α-helix	trans	-59	-42	175.6	-69.6	-178.7	179	0	0	111.6	S42 I43 G48 F49	S42-M46 WeakPolarHBondContact O-CG 3.33Å; S42-M46 PolarHBondContact O-N 2.96Å; S42-M46 VanDerWaalsContact O-N 3.12Å; I43-M46 WeakPolarHBondContact O-CB 3.36Å; I43-M46 PolarHBondContact O-N 3.11Å; I43-M46 VanDerWaalsContact O-N 3.16Å; M46-G48 VanDerWaalsContact C-N 3.32Å; M46-F49 PolarHBondContact O-N 3.5Å
47	F	93.9	Very high	95	Very high	108 Å²	108	75.9 Å²	75.9	47%	0.474	36%	0.359	S	S	.	.	H	α-helix	trans	-65.9	-36.2	171.5	-71.2	-64.9	0	0	0	112.2	I43 L44 L45 F49 R50	I43-F47 HydrophobicContact CG2-CD2 3.88Å; I43-F47 HydrophobicContact CG2-CE2 3.47Å; I43-F47 VanDerWaalsContact CG2-CE2 3.47Å; I43-F47 WeakPolarHBondContact O-CD2 3.16Å; I43-F47 PolarHBondContact O-N 2.88Å; I43-F47 VanDerWaalsContact O-N 3.13Å; L44-F47 PolarHBondContact O-N 2.83Å; L45-F47 VanDerWaalsContact C-N 3.3Å; L45-F47 PolarHBondContact O-N 3.36Å; F47-F49 VanDerWaalsContact C-N 3.26Å; F47-F49 PolarHBondContact O-N 3.02Å; F47-R50 WeakPolarHBondContact O-CB 3.48Å; F47-R50 WeakPolarHBondContact O-CG 3.44Å; F47-R50 PolarHBondContact O-N 2.98Å; F47-R50 VanDerWaalsContact O-N 3.13Å
48	G	93.5	Very high	94.8	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-32.2	175.2	0	0	0	0	0	114.1	L44 L45 M46 R50 Y51 T52	L44-G48 PolarHBondContact O-N 2.95Å; L45-G48 CarbonylContact O-C 3.57Å; L45-G48 VanDerWaalsContact O-CA 3.32Å; L45-G48 WeakPolarHBondContact O-CA 3.24Å; L45-G48 PolarHBondContact O-N 2.81Å; M46-G48 VanDerWaalsContact C-N 3.32Å; G48-R50 PolarHBondContact O-N 2.91Å; G48-R50 VanDerWaalsContact O-N 3.09Å; G48-Y51 PolarHBondContact O-N 3.43Å; G48-T52 PolarHBondContact O-N 3.41Å; G48-T52 VanDerWaalsContact O-N 3.09Å
49	F	94.5	Very high	94.5	Very high	61 Å²	61	74.8 Å²	74.8	27%	0.268	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.3	176.4	-61.3	-37.9	0	0	0	114.4	L45 M46 F47 Y51 T52 L54 V58	L45-F49 HydrophobicContact CD1-CE1 4.07Å; L45-F49 HydrophobicContact CD1-CZ 4.24Å; L45-F49 HydrophobicContact CD2-CE1 4.35Å; L45-F49 HydrophobicContact CD2-CE2 4.49Å; L45-F49 HydrophobicContact CD2-CZ 3.74Å; L45-F49 HydrophobicContact CG-CE1 3.89Å; L45-F49 HydrophobicContact CG-CE2 4.15Å; L45-F49 HydrophobicContact CG-CZ 3.55Å; L45-F49 PolarHBondContact O-N 3.39Å; M46-F49 PolarHBondContact O-N 3.5Å; F47-F49 VanDerWaalsContact C-N 3.26Å; F47-F49 PolarHBondContact O-N 3.02Å; F49-Y51 PolarHBondContact O-N 3.33Å; F49-T52 WeakPolarHBondContact CA-O 3.13Å; F49-T52 HydrophobicContact CD1-CG2 4.21Å; F49-T52 VanDerWaalsContact O-O 3.12Å; F49-L54 HydrophobicContact CD1-CD1 4.05Å; F49-L54 HydrophobicContact CD2-CD1 3.8Å; F49-L54 HydrophobicContact CE1-CD1 3.75Å; F49-L54 HydrophobicContact CE2-CD1 3.48Å; F49-L54 VanDerWaalsContact CE2-CD1 3.48Å; F49-L54 HydrophobicContact CG-CD1 4.09Å; F49-L54 HydrophobicContact CZ-CD1 3.45Å; F49-L54 VanDerWaalsContact CZ-CD1 3.45Å; F49-V58 HydrophobicContact CE1-CG2 3.98Å; F49-V58 HydrophobicContact CZ-CG2 3.69Å
50	R	94.4	Very high	94.4	Very high	193 Å²	193	70.3 Å²	70.3	73%	0.728	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.1	167.4	-64	-178.7	172.7	-171	-3.1	112.8	F47 G48	F47-R50 WeakPolarHBondContact O-CB 3.48Å; F47-R50 WeakPolarHBondContact O-CG 3.44Å; F47-R50 PolarHBondContact O-N 2.98Å; F47-R50 VanDerWaalsContact O-N 3.13Å; G48-R50 PolarHBondContact O-N 2.91Å; G48-R50 VanDerWaalsContact O-N 3.09Å
51	Y	92.9	Very high	94.3	Very high	132 Å²	132	67.1 Å²	67.1	52%	0.518	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-24.4	-176	-53.9	-75.1	0	0	0	112.6	F2 E3 L6 G48 F49	F2-Y51 HydrophobicContact CB-CG 4.36Å; E3-Y51 VanDerWaalsContact CD-O 3.27Å; E3-Y51 WeakPolarHBondContact CG-O 3.12Å; L6-Y51 HydrophobicContact CD1-CD2 4.09Å; L6-Y51 HydrophobicContact CD1-CE2 4.47Å; G48-Y51 PolarHBondContact O-N 3.43Å; F49-Y51 PolarHBondContact O-N 3.33Å
52	T	91.6	Very high	94.2	Very high	7 Å²	7	70.6 Å²	70.6	4%	0.043	33%	0.334	C	S	.	.	S	Bend	trans	-126.9	147.7	-178.2	-164.6	0	0	0	0	111.5	E3 P7 G48 F49 L54	E3-T52 WeakPolarHBondContact O-CB 3.24Å; E3-T52 PolarHBondContact O-OG1 3.36Å; P7-T52 HydrophobicContact CG-CG2 4.13Å; G48-T52 PolarHBondContact O-N 3.41Å; G48-T52 VanDerWaalsContact O-N 3.09Å; F49-T52 WeakPolarHBondContact CA-O 3.13Å; F49-T52 HydrophobicContact CD1-CG2 4.21Å; F49-T52 VanDerWaalsContact O-O 3.12Å; T52-L54 PolarHBondContact O-N 3.23Å
53	R	92	Very high	94	Very high	207 Å²	207	69.8 Å²	69.8	78%	0.781	33%	0.328	S	S	*	.			trans	-59.2	138.2	172.1	-70.4	-178.3	175	169.5	-1.2	109.4	S55 R56 G57	R53-S55 VanDerWaalsContact C-N 3.29Å; R53-S55 PolarHBondContact O-N 3.19Å; R53-R56 HydrophobicContact CB-CB 4.38Å; R53-R56 PolarHBondContact O-N 3.49Å; R53-G57 PolarHBondContact O-N 3.44Å
54	L	93.5	Very high	94	Very high	112 Å²	112	66.2 Å²	66.2	59%	0.586	31%	0.311	S	S	*	.	H	α-helix	trans	-47.4	-51.3	-179.6	179.8	69.5	0	0	0	112.1	F49 T52 R56 G57 V58	F49-L54 HydrophobicContact CD1-CD1 4.05Å; F49-L54 HydrophobicContact CD2-CD1 3.8Å; F49-L54 HydrophobicContact CE1-CD1 3.75Å; F49-L54 HydrophobicContact CE2-CD1 3.48Å; F49-L54 VanDerWaalsContact CE2-CD1 3.48Å; F49-L54 HydrophobicContact CG-CD1 4.09Å; F49-L54 HydrophobicContact CZ-CD1 3.45Å; F49-L54 VanDerWaalsContact CZ-CD1 3.45Å; T52-L54 PolarHBondContact O-N 3.23Å; L54-R56 PolarHBondContact O-N 2.85Å; L54-G57 PolarHBondContact O-N 3.44Å; L54-V58 HydrophobicContact CD1-CG2 3.99Å; L54-V58 HydrophobicContact CG-CG2 4.35Å; L54-V58 VanDerWaalsContact O-CB 3.3Å; L54-V58 WeakPolarHBondContact O-CB 3.32Å; L54-V58 WeakPolarHBondContact O-CG2 3.45Å; L54-V58 PolarHBondContact O-N 2.96Å
55	S	91	Very high	94	Very high	91 Å²	91	63.5 Å²	63.5	64%	0.636	30%	0.297	S	S	*	.	H	α-helix	trans	-58.2	-45.1	-179.8	53.3	0	0	0	0	112.8	R53 A59	R53-S55 VanDerWaalsContact C-N 3.29Å; R53-S55 PolarHBondContact O-N 3.19Å; S55-A59 VanDerWaalsContact O-CB 3.28Å; S55-A59 WeakPolarHBondContact O-CB 3.19Å; S55-A59 PolarHBondContact O-N 2.72Å
56	R	90.8	Very high	93.9	Very high	88 Å²	88	67.4 Å²	67.4	33%	0.332	32%	0.318	S	S	.	.	H	α-helix	trans	-68.4	-47.7	179.9	-168.6	-179	-170.4	168.5	14.3	111.4	R53 L54 A59 I60 N100	R53-R56 HydrophobicContact CB-CB 4.38Å; R53-R56 PolarHBondContact O-N 3.49Å; L54-R56 PolarHBondContact O-N 2.85Å; R56-A59 PolarHBondContact O-N 2.99Å; R56-I60 HydrophobicContact CG-CD1 4Å; R56-I60 VanDerWaalsContact O-CG1 3.31Å; R56-I60 WeakPolarHBondContact O-CG1 3.5Å; R56-I60 PolarHBondContact O-N 3.1Å; R56-N100 PolarHBondContact NE-OD1 3.48Å; R56-N100 PolarHBondContact NH2-O 2.92Å; R56-N100 PolarHBondContact NH2-OD1 3.3Å
57	G	93.9	Very high	93.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-45.6	179	0	0	0	0	0	112.4	P7 R53 L54 A59 I60 A61	P7-G57 WeakPolarHBondContact CB-O 3.24Å; R53-G57 PolarHBondContact O-N 3.44Å; L54-G57 PolarHBondContact O-N 3.44Å; G57-A59 PolarHBondContact O-N 3.34Å; G57-I60 PolarHBondContact O-N 3.37Å; G57-A61 WeakPolarHBondContact O-CB 3.36Å; G57-A61 PolarHBondContact O-N 3.03Å
58	V	94.7	Very high	94	Very high	56 Å²	56	58.4 Å²	58.4	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-43.3	176.3	171.4	0	0	0	0	110.9	F49 L54 A61 N62	F49-V58 HydrophobicContact CE1-CG2 3.98Å; F49-V58 HydrophobicContact CZ-CG2 3.69Å; L54-V58 HydrophobicContact CD1-CG2 3.99Å; L54-V58 HydrophobicContact CG-CG2 4.35Å; L54-V58 VanDerWaalsContact O-CB 3.3Å; L54-V58 WeakPolarHBondContact O-CB 3.32Å; L54-V58 WeakPolarHBondContact O-CG2 3.45Å; L54-V58 PolarHBondContact O-N 2.96Å; V58-A61 PolarHBondContact O-N 3.07Å; V58-N62 VanDerWaalsContact CG1-ND2 3.34Å; V58-N62 WeakPolarHBondContact CG1-ND2 3.38Å; V58-N62 WeakPolarHBondContact O-CB 3.29Å; V58-N62 PolarHBondContact O-N 3.35Å; V58-N62 PolarHBondContact O-ND2 3.02Å
59	A	92.8	Very high	94.1	Very high	20 Å²	20	59.3 Å²	59.3	17%	0.165	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-48.4	178.7	0	0	0	0	0	112.2	S55 R56 G57 S63 L99	S55-A59 VanDerWaalsContact O-CB 3.28Å; S55-A59 WeakPolarHBondContact O-CB 3.19Å; S55-A59 PolarHBondContact O-N 2.72Å; R56-A59 PolarHBondContact O-N 2.99Å; G57-A59 PolarHBondContact O-N 3.34Å; A59-S63 WeakPolarHBondContact O-CB 3.33Å; A59-S63 PolarHBondContact O-N 2.84Å; A59-S63 PolarHBondContact O-OG 3.18Å; A59-L99 HydrophobicContact CB-CD1 3.83Å
60	I	94	Very high	94	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.046	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-45.5	179.2	-62.9	164.3	0	0	0	111.1	V4 P7 L8 R56 G57 S63 T64 N100	V4-I60 HydrophobicContact CG1-CD1 4.43Å; V4-I60 HydrophobicContact CG2-CD1 4.32Å; P7-I60 HydrophobicContact CB-CB 3.77Å; P7-I60 HydrophobicContact CB-CG2 3.71Å; L8-I60 HydrophobicContact CB-CG2 4.37Å; R56-I60 HydrophobicContact CG-CD1 4Å; R56-I60 VanDerWaalsContact O-CG1 3.31Å; R56-I60 WeakPolarHBondContact O-CG1 3.5Å; R56-I60 PolarHBondContact O-N 3.1Å; G57-I60 PolarHBondContact O-N 3.37Å; I60-S63 PolarHBondContact O-OG 3.03Å; I60-S63 VanDerWaalsContact O-OG 3.07Å; I60-T64 VanDerWaalsContact O-CB 3.23Å; I60-T64 WeakPolarHBondContact O-CB 3.49Å; I60-T64 PolarHBondContact O-N 2.96Å; I60-T64 PolarHBondContact O-OG1 3.26Å; I60-N100 WeakPolarHBondContact CD1-OD1 3.49Å
61	A	96.3	Very high	93.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-46.1	-178.5	0	0	0	0	0	111.6	P7 V10 G11 W14 L45 G57 V58 A65	P7-A61 HydrophobicContact CB-CB 4.19Å; P7-A61 WeakPolarHBondContact O-CA 3.32Å; V10-A61 HydrophobicContact CB-CB 4.5Å; V10-A61 HydrophobicContact CG1-CB 4.19Å; G11-A61 WeakPolarHBondContact CA-O 3.4Å; W14-A61 HydrophobicContact CE3-CB 4.49Å; W14-A61 HydrophobicContact CZ3-CB 4.22Å; L45-A61 HydrophobicContact CD1-CB 4.05Å; L45-A61 HydrophobicContact CD2-CB 4.15Å; G57-A61 WeakPolarHBondContact O-CB 3.36Å; G57-A61 PolarHBondContact O-N 3.03Å; V58-A61 PolarHBondContact O-N 3.07Å; A61-A65 VanDerWaalsContact O-CB 3.24Å; A61-A65 WeakPolarHBondContact O-CB 3.49Å; A61-A65 PolarHBondContact O-N 2.92Å
62	N	95.5	Very high	94	Very high	74 Å²	74	48.2 Å²	48.2	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-69.1	-40.9	-178.8	-79.9	-83.1	0	0	0	112.5	V58 A65 L66	V58-N62 VanDerWaalsContact CG1-ND2 3.34Å; V58-N62 WeakPolarHBondContact CG1-ND2 3.38Å; V58-N62 WeakPolarHBondContact O-CB 3.29Å; V58-N62 PolarHBondContact O-N 3.35Å; V58-N62 PolarHBondContact O-ND2 3.02Å; N62-A65 WeakPolarHBondContact O-CB 3.19Å; N62-A65 PolarHBondContact O-N 3.3Å; N62-L66 WeakPolarHBondContact O-CG 3.3Å; N62-L66 PolarHBondContact O-N 3.49Å
63	S	94.5	Very high	94.2	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-43.9	177.8	63.6	0	0	0	0	112.1	A59 I60 A65 L66 L67 I92 T96	A59-S63 WeakPolarHBondContact O-CB 3.33Å; A59-S63 PolarHBondContact O-N 2.84Å; A59-S63 PolarHBondContact O-OG 3.18Å; I60-S63 PolarHBondContact O-OG 3.03Å; I60-S63 VanDerWaalsContact O-OG 3.07Å; S63-A65 VanDerWaalsContact C-N 3.27Å; S63-A65 PolarHBondContact O-N 3.48Å; S63-L66 PolarHBondContact O-N 3.4Å; S63-L67 WeakPolarHBondContact O-CG 3.37Å; S63-L67 PolarHBondContact O-N 3.2Å; S63-I92 VanDerWaalsContact CB-CG2 3.44Å; S63-T96 VanDerWaalsContact OG-CG2 3.26Å; S63-T96 WeakPolarHBondContact OG-CG2 3.41Å
64	T	95.5	Very high	94.2	Very high	19 Å²	19	41.3 Å²	41.3	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-36.2	175.6	-53.9	0	0	0	0	110.7	L8 L12 I60 L67 A68	L8-T64 HydrophobicContact CG-CG2 4.24Å; L8-T64 WeakPolarHBondContact O-CG2 3.33Å; L12-T64 HydrophobicContact CD2-CG2 3.9Å; L12-T64 HydrophobicContact CG-CG2 3.89Å; I60-T64 VanDerWaalsContact O-CB 3.23Å; I60-T64 WeakPolarHBondContact O-CB 3.49Å; I60-T64 PolarHBondContact O-N 2.96Å; I60-T64 PolarHBondContact O-OG1 3.26Å; T64-L67 PolarHBondContact O-N 3.41Å; T64-A68 VanDerWaalsContact O-CB 3.24Å; T64-A68 WeakPolarHBondContact O-CB 3.33Å; T64-A68 PolarHBondContact O-N 3.46Å
65	A	97.4	Very high	94.2	Very high	7 Å²	7	40 Å²	40	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-40.5	173.5	0	0	0	0	0	113.1	G11 W14 G15 A61 N62 S63 S69	G11-A65 WeakPolarHBondContact O-CA 3.36Å; G11-A65 WeakPolarHBondContact O-CB 3.35Å; W14-A65 HydrophobicContact CB-CB 3.92Å; G15-A65 WeakPolarHBondContact CA-O 3.23Å; A61-A65 VanDerWaalsContact O-CB 3.24Å; A61-A65 WeakPolarHBondContact O-CB 3.49Å; A61-A65 PolarHBondContact O-N 2.92Å; N62-A65 WeakPolarHBondContact O-CB 3.19Å; N62-A65 PolarHBondContact O-N 3.3Å; S63-A65 VanDerWaalsContact C-N 3.27Å; S63-A65 PolarHBondContact O-N 3.48Å; A65-S69 VanDerWaalsContact O-CB 3.24Å; A65-S69 WeakPolarHBondContact O-CB 3.43Å; A65-S69 PolarHBondContact O-N 3.01Å; A65-S69 PolarHBondContact O-OG 3.04Å
66	L	94.5	Very high	94.3	Very high	90 Å²	90	39.7 Å²	39.7	47%	0.471	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-42	176	-68.8	168.2	0	0	0	111.2	N62 S63 S69 A70 I92	N62-L66 WeakPolarHBondContact O-CG 3.3Å; N62-L66 PolarHBondContact O-N 3.49Å; S63-L66 PolarHBondContact O-N 3.4Å; L66-S69 WeakPolarHBondContact O-CB 3.36Å; L66-S69 PolarHBondContact O-N 3.38Å; L66-A70 PolarHBondContact O-N 2.98Å; L66-I92 HydrophobicContact CB-CD1 3.83Å; L66-I92 HydrophobicContact CD1-CD1 3.46Å; L66-I92 VanDerWaalsContact CD1-CD1 3.46Å; L66-I92 HydrophobicContact CD1-CG1 4.09Å; L66-I92 HydrophobicContact CD1-CG2 4.43Å; L66-I92 HydrophobicContact CG-CD1 4.19Å
67	L	94.1	Very high	94.5	Very high	46 Å²	46	38.3 Å²	38.3	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-50	174.3	-66	175.1	0	0	0	112.1	S63 T64 S69 A70 L71 V89	S63-L67 WeakPolarHBondContact O-CG 3.37Å; S63-L67 PolarHBondContact O-N 3.2Å; T64-L67 PolarHBondContact O-N 3.41Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 2.9Å; L67-A70 PolarHBondContact O-N 3.45Å; L67-L71 WeakPolarHBondContact O-CB 3.42Å; L67-L71 WeakPolarHBondContact O-CG 3.45Å; L67-L71 PolarHBondContact O-N 2.85Å; L67-V89 HydrophobicContact CD2-CB 4.29Å; L67-V89 HydrophobicContact CD2-CG1 3.47Å; L67-V89 VanDerWaalsContact CD2-CG1 3.47Å; L67-V89 HydrophobicContact CD2-CG2 4.34Å
68	A	96.3	Very high	94.3	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-34.7	177.8	0	0	0	0	0	111.7	L12 T64 T72	L12-A68 HydrophobicContact CD2-CB 4.13Å; T64-A68 VanDerWaalsContact O-CB 3.24Å; T64-A68 WeakPolarHBondContact O-CB 3.33Å; T64-A68 PolarHBondContact O-N 3.46Å; A68-T72 WeakPolarHBondContact O-CB 3.4Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 2.82Å
69	S	95.6	Very high	94	Very high	21 Å²	21	46.1 Å²	46.1	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-49.4	173.4	-61.3	0	0	0	0	111	G15 I19 A65 L66 L67 L71 T72 S73	G15-S69 WeakPolarHBondContact CA-OG 3.48Å; G15-S69 PolarHBondContact O-OG 3.4Å; I19-S69 WeakPolarHBondContact CG1-O 3.25Å; A65-S69 VanDerWaalsContact O-CB 3.24Å; A65-S69 WeakPolarHBondContact O-CB 3.43Å; A65-S69 PolarHBondContact O-N 3.01Å; A65-S69 PolarHBondContact O-OG 3.04Å; L66-S69 WeakPolarHBondContact O-CB 3.36Å; L66-S69 PolarHBondContact O-N 3.38Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 2.9Å; S69-L71 PolarHBondContact O-N 3.41Å; S69-T72 PolarHBondContact O-N 2.89Å; S69-S73 VanDerWaalsContact O-CB 3.3Å; S69-S73 WeakPolarHBondContact O-CB 3.49Å; S69-S73 PolarHBondContact O-N 3.22Å
70	A	93.1	Very high	93.8	Very high	23 Å²	23	54.9 Å²	54.9	19%	0.19	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-47.2	178.7	0	0	0	0	0	111.6	L66 L67 S73 S74 M81 V89	L66-A70 PolarHBondContact O-N 2.98Å; L67-A70 PolarHBondContact O-N 3.45Å; A70-S73 PolarHBondContact O-N 2.91Å; A70-S74 WeakPolarHBondContact O-CB 3.25Å; A70-S74 PolarHBondContact O-N 3.09Å; A70-M81 HydrophobicContact CB-SD 3.92Å; A70-V89 HydrophobicContact CB-CG2 3.87Å
71	L	93.1	Very high	93.3	Very high	113 Å²	113	58.2 Å²	58.2	59%	0.592	31%	0.312	S	S	*	.	H	α-helix	trans	-64.3	-45.4	177.5	-69.6	174	0	0	0	112.2	L67 S69 S73 S74 C75	L67-L71 WeakPolarHBondContact O-CB 3.42Å; L67-L71 WeakPolarHBondContact O-CG 3.45Å; L67-L71 PolarHBondContact O-N 2.85Å; S69-L71 PolarHBondContact O-N 3.41Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.13Å; L71-S74 PolarHBondContact O-N 2.88Å; L71-C75 VanDerWaalsContact O-CB 3.24Å; L71-C75 WeakPolarHBondContact O-CB 3.43Å; L71-C75 PolarHBondContact O-N 3.26Å; L71-C75 PolarHBondContact O-SG 2.75Å
72	T	95.2	Very high	93.1	Very high	16 Å²	16	66 Å²	66	10%	0.098	35%	0.346	C	S	.	.	H	α-helix	trans	-63.5	-43.1	178.9	-56.8	0	0	0	0	110.8	S16 I19 A68 S69 V76 Y77	S16-T72 WeakPolarHBondContact CA-OG1 3.31Å; S16-T72 PolarHBondContact OG-OG1 3.07Å; I19-T72 HydrophobicContact CB-CG2 3.89Å; I19-T72 HydrophobicContact CG2-CG2 3.82Å; A68-T72 WeakPolarHBondContact O-CB 3.4Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 2.82Å; S69-T72 PolarHBondContact O-N 2.89Å; T72-V76 HydrophobicContact CG2-CB 4.29Å; T72-V76 HydrophobicContact CG2-CG2 3.99Å; T72-V76 WeakPolarHBondContact O-CA 3.4Å; T72-V76 WeakPolarHBondContact O-CB 3.29Å; T72-V76 PolarHBondContact O-N 3.29Å; T72-Y77 HydrophobicContact CG2-CE2 4.4Å
73	S	94.2	Very high	92.8	Very high	16 Å²	16	70.7 Å²	70.7	11%	0.112	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-44.7	178	-150.8	0	0	0	0	111.3	S69 A70 L71 Y77 H78 D79	S69-S73 VanDerWaalsContact O-CB 3.3Å; S69-S73 WeakPolarHBondContact O-CB 3.49Å; S69-S73 PolarHBondContact O-N 3.22Å; A70-S73 PolarHBondContact O-N 2.91Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.13Å; S73-Y77 CarbonylContact O-C 3.55Å; S73-Y77 PolarHBondContact O-N 3.09Å; S73-H78 PolarHBondContact O-N 3.02Å; S73-H78 VanDerWaalsContact O-N 3.15Å; S73-D79 PolarHBondContact O-N 3.49Å; S73-D79 WeakPolarHBondContact OG-CB 3.45Å; S73-D79 PolarHBondContact OG-OD2 3.48Å
74	S	92.7	Very high	92.6	Very high	53 Å²	53	74.4 Å²	74.4	37%	0.371	39%	0.389	S	S	.	.	H	α-helix	trans	-73.6	-41.5	-178.4	-171.7	0	0	0	0	113.4	A70 L71 H78	A70-S74 WeakPolarHBondContact O-CB 3.25Å; A70-S74 PolarHBondContact O-N 3.09Å; L71-S74 PolarHBondContact O-N 2.88Å; S74-H78 WeakPolarHBondContact O-CA 3.48Å; S74-H78 PolarHBondContact O-N 2.97Å
75	C	93.1	Very high	92.3	Very high	86 Å²	86	74.9 Å²	74.9	58%	0.581	40%	0.397	S	S	*	.	H	α-helix	trans	-89.7	-35.9	-172.8	-63.6	0	0	0	0	113.2	L71	L71-C75 VanDerWaalsContact O-CB 3.24Å; L71-C75 WeakPolarHBondContact O-CB 3.43Å; L71-C75 PolarHBondContact O-N 3.26Å; L71-C75 PolarHBondContact O-SG 2.75Å
76	V	93.8	Very high	91.8	Very high	83 Å²	83	76.8 Å²	76.8	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-92.9	-40.5	-175.8	-175.5	0	0	0	0	111.1	T72	T72-V76 HydrophobicContact CG2-CB 4.29Å; T72-V76 HydrophobicContact CG2-CG2 3.99Å; T72-V76 WeakPolarHBondContact O-CA 3.4Å; T72-V76 WeakPolarHBondContact O-CB 3.29Å; T72-V76 PolarHBondContact O-N 3.29Å
77	Y	93.6	Very high	91.8	Very high	60 Å²	60	76.1 Å²	76.1	24%	0.235	41%	0.41	C	S	.	.	S	Bend	trans	-108.1	1.7	-175.2	-63.4	-78.3	0	0	0	113.8	I19 Y23 N24 T72 S73 D79	I19-Y77 HydrophobicContact CG2-CD2 3.55Å; I19-Y77 HydrophobicContact CG2-CE2 3.71Å; Y23-Y77 VanDerWaalsContact CB-CZ 3.48Å; Y23-Y77 AromaticContact CD1-CD1 3.38Å; Y23-Y77 HydrophobicContact CD1-CD1 3.38Å; Y23-Y77 AromaticContact CD1-CE1 3.85Å; Y23-Y77 HydrophobicContact CD1-CE1 3.85Å; Y23-Y77 AromaticContact CD1-CG 3.86Å; Y23-Y77 HydrophobicContact CD1-CG 3.86Å; Y23-Y77 AromaticContact CD2-CD1 3.66Å; Y23-Y77 HydrophobicContact CD2-CD1 3.66Å; Y23-Y77 AromaticContact CD2-CD2 3.52Å; Y23-Y77 HydrophobicContact CD2-CD2 3.52Å; Y23-Y77 AromaticContact CD2-CE1 3.87Å; Y23-Y77 HydrophobicContact CD2-CE1 3.87Å; Y23-Y77 AromaticContact CD2-CE2 3.74Å; Y23-Y77 HydrophobicContact CD2-CE2 3.74Å; Y23-Y77 AromaticContact CD2-CG 3.47Å; Y23-Y77 HydrophobicContact CD2-CG 3.47Å; Y23-Y77 VanDerWaalsContact CD2-CG 3.47Å; Y23-Y77 AromaticContact CD2-CZ 3.91Å; Y23-Y77 AromaticContact CE1-CD1 3.84Å; Y23-Y77 HydrophobicContact CE1-CD1 3.84Å; Y23-Y77 AromaticContact CE1-CG 3.92Å; Y23-Y77 HydrophobicContact CE1-CG 3.92Å; Y23-Y77 HydrophobicContact CE2-CD1 4.11Å; Y23-Y77 AromaticContact CE2-CD2 3.76Å; Y23-Y77 HydrophobicContact CE2-CD2 3.76Å; Y23-Y77 HydrophobicContact CE2-CE2 4.42Å; Y23-Y77 AromaticContact CE2-CG 3.57Å; Y23-Y77 HydrophobicContact CE2-CG 3.57Å; Y23-Y77 AromaticContact CG-CD1 3.29Å; Y23-Y77 HydrophobicContact CG-CD1 3.29Å; Y23-Y77 HydrophobicContact CG-CD2 4.05Å; Y23-Y77 AromaticContact CG-CE1 3.38Å; Y23-Y77 HydrophobicContact CG-CE1 3.38Å; Y23-Y77 HydrophobicContact CG-CE2 4.12Å; Y23-Y77 AromaticContact CG-CG 3.64Å; Y23-Y77 HydrophobicContact CG-CG 3.64Å; Y23-Y77 AromaticContact CG-CZ 3.8Å; Y23-Y77 AromaticContact CZ-CG 3.78Å; N24-Y77 PolarHBondContact ND2-OH 3.14Å; T72-Y77 HydrophobicContact CG2-CE2 4.4Å; S73-Y77 CarbonylContact O-C 3.55Å; S73-Y77 PolarHBondContact O-N 3.09Å; Y77-D79 PolarHBondContact O-N 3.43Å; Y77-D79 VanDerWaalsContact O-N 3.14Å
78	H	90.9	Very high	91.8	Very high	154 Å²	154	75.1 Å²	75.1	71%	0.713	41%	0.411	S	S	*	.			trans	54.1	30	177.3	-56	102.2	0	0	0	114	S73 S74 K80	S73-H78 PolarHBondContact O-N 3.02Å; S73-H78 VanDerWaalsContact O-N 3.15Å; S74-H78 WeakPolarHBondContact O-CA 3.48Å; S74-H78 PolarHBondContact O-N 2.97Å; H78-K80 PolarHBondContact O-N 3.13Å
79	D	89.1	Confident	91.5	Very high	66 Å²	66	76.5 Å²	76.5	35%	0.353	42%	0.419	S	S	.	.			trans	-67.6	129.5	174.4	-104.9	21.2	0	0	0	109.7	Y23 S73 Y77 M81	Y23-D79 PolarHBondContact OH-OD1 3.41Å; Y23-D79 PolarHBondContact OH-OD2 3.09Å; S73-D79 PolarHBondContact O-N 3.49Å; S73-D79 WeakPolarHBondContact OG-CB 3.45Å; S73-D79 PolarHBondContact OG-OD2 3.48Å; Y77-D79 PolarHBondContact O-N 3.43Å; Y77-D79 VanDerWaalsContact O-N 3.14Å; D79-M81 PolarHBondContact O-N 3.19Å; D79-M81 VanDerWaalsContact O-N 3.1Å
80	K	86.7	Confident	91.3	Very high	203 Å²	203	79.8 Å²	79.8	88%	0.883	44%	0.438	S	S	*	.			trans	-72.1	106.5	175.5	-68.3	-174.6	179.7	-177.9	0	109.7	H78 K82	H78-K80 PolarHBondContact O-N 3.13Å; K80-K82 PolarHBondContact O-N 2.94Å
81	M	85.2	Confident	91.3	Very high	80 Å²	80	84.7 Å²	84.7	39%	0.394	46%	0.46	S	S	.	.			trans	-65.5	118.2	173.7	-163.6	155.5	116.2	0	0	109.8	A70 D79 S86 V89	A70-M81 HydrophobicContact CB-SD 3.92Å; D79-M81 PolarHBondContact O-N 3.19Å; D79-M81 VanDerWaalsContact O-N 3.1Å; M81-S86 WeakPolarHBondContact CE-OG 3.28Å; M81-V89 HydrophobicContact CE-CB 4.28Å; M81-V89 HydrophobicContact CE-CG2 3.88Å
82	K	90.5	Very high	91.2	Very high	163 Å²	163	81.5 Å²	81.5	71%	0.709	44%	0.443	S	S	*	.			trans	-65.8	154.8	175.3	-66.5	-176.6	178.4	-179.4	0	110	K80 S84 G85 S86	K80-K82 PolarHBondContact O-N 2.94Å; K82-S84 PolarHBondContact O-N 3.4Å; K82-G85 WeakPolarHBondContact O-CA 3.41Å; K82-G85 PolarHBondContact O-N 3.25Å; K82-S86 PolarHBondContact O-N 3.17Å
83	F	89.3	Confident	90.8	Very high	172 Å²	172	83.5 Å²	83.5	75%	0.754	46%	0.457	S	S	*	.	H	α-helix	trans	-52.2	-40.7	175.6	-178.1	-104.5	0	0	0	112.7	G85 S86 V87	F83-G85 VanDerWaalsContact C-N 3.27Å; F83-G85 PolarHBondContact O-N 3.48Å; F83-S86 WeakPolarHBondContact O-CB 3.24Å; F83-S86 PolarHBondContact O-N 3.02Å; F83-S86 VanDerWaalsContact O-N 3.17Å; F83-V87 HydrophobicContact CD1-CG2 4.2Å; F83-V87 HydrophobicContact CE1-CG2 3.79Å; F83-V87 HydrophobicContact CE2-CG2 4.48Å; F83-V87 HydrophobicContact CZ-CG2 3.95Å; F83-V87 WeakPolarHBondContact O-CG2 3.43Å; F83-V87 PolarHBondContact O-N 2.94Å
84	S	90.8	Very high	90.7	Very high	85 Å²	85	86.6 Å²	86.6	59%	0.594	48%	0.475	S	S	*	.	H	α-helix	trans	-60.5	-34.4	174.4	55.5	0	0	0	0	113.5	K82 G88	K82-S84 PolarHBondContact O-N 3.4Å; S84-G88 PolarHBondContact O-N 3.33Å
85	G	88.4	Confident	90.6	Very high	29 Å²	29	85.5 Å²	85.5	30%	0.299	47%	0.473	S	S	.	.	H	α-helix	trans	-66.4	-42.7	174.3	0	0	0	0	0	112	K82 F83 G88 V89	K82-G85 WeakPolarHBondContact O-CA 3.41Å; K82-G85 PolarHBondContact O-N 3.25Å; F83-G85 VanDerWaalsContact C-N 3.27Å; F83-G85 PolarHBondContact O-N 3.48Å; G85-G88 PolarHBondContact O-N 3.47Å; G85-V89 WeakPolarHBondContact O-CG2 3.47Å; G85-V89 PolarHBondContact O-N 3.08Å
86	S	88.4	Confident	90.1	Very high	48 Å²	48	82.6 Å²	82.6	34%	0.336	45%	0.452	S	S	.	.	H	α-helix	trans	-61	-45.5	174.7	-53.5	0	0	0	0	112.2	M81 K82 F83 G88 V89 V90	M81-S86 WeakPolarHBondContact CE-OG 3.28Å; K82-S86 PolarHBondContact O-N 3.17Å; F83-S86 WeakPolarHBondContact O-CB 3.24Å; F83-S86 PolarHBondContact O-N 3.02Å; F83-S86 VanDerWaalsContact O-N 3.17Å; S86-G88 VanDerWaalsContact C-N 3.33Å; S86-G88 PolarHBondContact O-N 3.24Å; S86-V89 PolarHBondContact O-N 2.75Å; S86-V90 WeakPolarHBondContact O-CG2 3.4Å; S86-V90 PolarHBondContact O-N 3.49Å; S86-V90 VanDerWaalsContact O-N 3.08Å
87	V	94	Very high	89.8	Confident	75 Å²	75	80.5 Å²	80.5	46%	0.455	45%	0.447	S	S	.	.	H	α-helix	trans	-61.9	-42.6	175	176.2	0	0	0	0	110.9	F83 V89 V90 L91	F83-V87 HydrophobicContact CD1-CG2 4.2Å; F83-V87 HydrophobicContact CE1-CG2 3.79Å; F83-V87 HydrophobicContact CE2-CG2 4.48Å; F83-V87 HydrophobicContact CZ-CG2 3.95Å; F83-V87 WeakPolarHBondContact O-CG2 3.43Å; F83-V87 PolarHBondContact O-N 2.94Å; V87-V89 PolarHBondContact O-N 3.23Å; V87-V90 PolarHBondContact O-N 3.35Å; V87-L91 WeakPolarHBondContact O-CB 3.39Å; V87-L91 PolarHBondContact O-N 2.91Å
88	G	93.2	Very high	89.5	Confident	26 Å²	26	83.4 Å²	83.4	27%	0.268	47%	0.466	S	S	.	.	H	α-helix	trans	-60.3	-44.8	176.5	0	0	0	0	0	113	S84 G85 S86 V90 L91 I92	S84-G88 PolarHBondContact O-N 3.33Å; G85-G88 PolarHBondContact O-N 3.47Å; S86-G88 VanDerWaalsContact C-N 3.33Å; S86-G88 PolarHBondContact O-N 3.24Å; G88-V90 PolarHBondContact O-N 3.31Å; G88-L91 PolarHBondContact O-N 2.93Å; G88-I92 WeakPolarHBondContact O-CD1 3.43Å; G88-I92 VanDerWaalsContact O-CG1 3.24Å; G88-I92 WeakPolarHBondContact O-CG1 3.26Å; G88-I92 PolarHBondContact O-N 3.4Å
89	V	90	Very high	89	Confident	35 Å²	35	81.7 Å²	81.7	21%	0.212	46%	0.461	C	S	.	.	H	α-helix	trans	-57.6	-47.5	175	157.6	0	0	0	0	111.4	L67 A70 M81 G85 S86 V87 L91 I92 C93	L67-V89 HydrophobicContact CD2-CB 4.29Å; L67-V89 HydrophobicContact CD2-CG1 3.47Å; L67-V89 VanDerWaalsContact CD2-CG1 3.47Å; L67-V89 HydrophobicContact CD2-CG2 4.34Å; A70-V89 HydrophobicContact CB-CG2 3.87Å; M81-V89 HydrophobicContact CE-CB 4.28Å; M81-V89 HydrophobicContact CE-CG2 3.88Å; G85-V89 WeakPolarHBondContact O-CG2 3.47Å; G85-V89 PolarHBondContact O-N 3.08Å; S86-V89 PolarHBondContact O-N 2.75Å; V87-V89 PolarHBondContact O-N 3.23Å; V89-L91 PolarHBondContact O-N 2.95Å; V89-I92 PolarHBondContact O-N 3.03Å; V89-C93 PolarHBondContact O-N 3.19Å; V89-C93 PolarHBondContact O-SG 3.46Å; V89-C93 VanDerWaalsContact O-SG 3.4Å
90	V	91.9	Very high	88.4	Confident	90 Å²	90	80.7 Å²	80.7	55%	0.545	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-44.3	177.2	174	0	0	0	0	110.9	S86 V87 G88 I92 C93 V94	S86-V90 WeakPolarHBondContact O-CG2 3.4Å; S86-V90 PolarHBondContact O-N 3.49Å; S86-V90 VanDerWaalsContact O-N 3.08Å; V87-V90 PolarHBondContact O-N 3.35Å; G88-V90 PolarHBondContact O-N 3.31Å; V90-I92 VanDerWaalsContact C-N 3.32Å; V90-I92 PolarHBondContact O-N 3.23Å; V90-C93 WeakPolarHBondContact O-CB 3.31Å; V90-C93 PolarHBondContact O-N 3.32Å; V90-V94 HydrophobicContact CG1-CG2 4.44Å; V90-V94 WeakPolarHBondContact O-CG2 3.17Å; V90-V94 PolarHBondContact O-N 2.87Å
91	L	93.7	Very high	87.9	Confident	126 Å²	126	78.5 Å²	78.5	66%	0.66	47%	0.466	S	S	*	.	H	α-helix	trans	-61.8	-39.2	179.3	-169.9	67.4	0	0	0	112.1	V87 G88 V89 V94 G95	V87-L91 WeakPolarHBondContact O-CB 3.39Å; V87-L91 PolarHBondContact O-N 2.91Å; G88-L91 PolarHBondContact O-N 2.93Å; V89-L91 PolarHBondContact O-N 2.95Å; L91-V94 PolarHBondContact O-N 3.47Å; L91-G95 PolarHBondContact O-N 3.48Å
92	I	91	Very high	88	Confident	45 Å²	45	78.4 Å²	78.4	23%	0.231	47%	0.47	C	S	.	.	H	α-helix	trans	-65.4	-44.5	175.6	-69.3	157.3	0	0	0	110.9	S63 L66 G88 V89 V90 V94 G95 T96	S63-I92 VanDerWaalsContact CB-CG2 3.44Å; L66-I92 HydrophobicContact CB-CD1 3.83Å; L66-I92 HydrophobicContact CD1-CD1 3.46Å; L66-I92 VanDerWaalsContact CD1-CD1 3.46Å; L66-I92 HydrophobicContact CD1-CG1 4.09Å; L66-I92 HydrophobicContact CD1-CG2 4.43Å; L66-I92 HydrophobicContact CG-CD1 4.19Å; G88-I92 WeakPolarHBondContact O-CD1 3.43Å; G88-I92 VanDerWaalsContact O-CG1 3.24Å; G88-I92 WeakPolarHBondContact O-CG1 3.26Å; G88-I92 PolarHBondContact O-N 3.4Å; V89-I92 PolarHBondContact O-N 3.03Å; V90-I92 VanDerWaalsContact C-N 3.32Å; V90-I92 PolarHBondContact O-N 3.23Å; I92-V94 PolarHBondContact O-N 3.02Å; I92-G95 PolarHBondContact O-N 3.35Å; I92-T96 WeakPolarHBondContact O-CB 3.34Å; I92-T96 WeakPolarHBondContact O-CG2 3.38Å; I92-T96 PolarHBondContact O-N 3.18Å; I92-T96 PolarHBondContact O-OG1 3.48Å
93	C	87.2	Confident	87.9	Confident	58 Å²	58	73.9 Å²	73.9	39%	0.392	46%	0.457	S	S	.	.	H	α-helix	trans	-58.4	-47.2	175.4	-72.1	0	0	0	0	111.5	V89 V90 T96 G97	V89-C93 PolarHBondContact O-N 3.19Å; V89-C93 PolarHBondContact O-SG 3.46Å; V89-C93 VanDerWaalsContact O-SG 3.4Å; V90-C93 WeakPolarHBondContact O-CB 3.31Å; V90-C93 PolarHBondContact O-N 3.32Å; C93-T96 PolarHBondContact O-N 3.48Å; C93-T96 PolarHBondContact O-OG1 3.06Å; C93-G97 PolarHBondContact O-N 2.98Å
94	V	91.4	Very high	87.8	Confident	81 Å²	81	68.5 Å²	68.5	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-50.5	179	173.5	0	0	0	0	110.9	V90 L91 I92 T96 G97 L98	V90-V94 HydrophobicContact CG1-CG2 4.44Å; V90-V94 WeakPolarHBondContact O-CG2 3.17Å; V90-V94 PolarHBondContact O-N 2.87Å; L91-V94 PolarHBondContact O-N 3.47Å; I92-V94 PolarHBondContact O-N 3.02Å; V94-T96 PolarHBondContact O-N 3.49Å; V94-G97 PolarHBondContact O-N 3.21Å; V94-L98 HydrophobicContact CG1-CD1 4.12Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 3.46Å
95	G	89.8	Confident	87.7	Confident	31 Å²	31	67.5 Å²	67.5	32%	0.32	43%	0.432	S	S	.	.	H	α-helix	trans	-59.6	-36.3	-179.7	0	0	0	0	0	112.7	L91 I92 L99	L91-G95 PolarHBondContact O-N 3.48Å; I92-G95 PolarHBondContact O-N 3.35Å; G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 2.82Å
96	T	84.5	Confident	87.6	Confident	25 Å²	25	69.9 Å²	69.9	15%	0.153	44%	0.44	C	S	.	.	H	α-helix	trans	-80.4	-30	177.9	54	0	0	0	0	114.4	S63 I92 C93 V94 L98 L99 N100	S63-T96 VanDerWaalsContact OG-CG2 3.26Å; S63-T96 WeakPolarHBondContact OG-CG2 3.41Å; I92-T96 WeakPolarHBondContact O-CB 3.34Å; I92-T96 WeakPolarHBondContact O-CG2 3.38Å; I92-T96 PolarHBondContact O-N 3.18Å; I92-T96 PolarHBondContact O-OG1 3.48Å; C93-T96 PolarHBondContact O-N 3.48Å; C93-T96 PolarHBondContact O-OG1 3.06Å; V94-T96 PolarHBondContact O-N 3.49Å; T96-L98 VanDerWaalsContact C-N 3.34Å; T96-L99 PolarHBondContact O-N 2.79Å; T96-N100 WeakPolarHBondContact O-CB 3.47Å; T96-N100 PolarHBondContact O-N 3.17Å; T96-N100 PolarHBondContact O-ND2 3.13Å
97	G	85.6	Confident	87.6	Confident	38 Å²	38	71.4 Å²	71.4	39%	0.392	45%	0.447	S	S	.	.	H	α-helix	trans	-59.5	-46	166.2	0	0	0	0	0	111.7	C93 V94 L99 N100 S101	C93-G97 PolarHBondContact O-N 2.98Å; V94-G97 PolarHBondContact O-N 3.21Å; G97-L99 PolarHBondContact O-N 3.22Å; G97-N100 PolarHBondContact O-N 3.26Å; G97-S101 PolarHBondContact O-N 2.94Å; G97-S101 VanDerWaalsContact O-N 3.13Å; G97-S101 PolarHBondContact O-OG 3.27Å
98	L	88.2	Confident	87.1	Confident	122 Å²	122	71.1 Å²	71.1	64%	0.639	45%	0.447	S	S	*	.	H	α-helix	trans	-63.9	-39.8	177.9	-69.4	173.4	0	0	0	112.8	V94 T96 N100 S101	V94-L98 HydrophobicContact CG1-CD1 4.12Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 3.46Å; T96-L98 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 2.96Å; L98-S101 PolarHBondContact O-N 3.37Å
99	L	81.3	Confident	86.6	Confident	117 Å²	117	74.6 Å²	74.6	61%	0.613	46%	0.46	S	S	*	.	H	α-helix	trans	-68.1	-17.8	176.4	-75.3	171.6	0	0	0	114	A59 G95 T96 G97	A59-L99 HydrophobicContact CB-CD1 3.83Å; G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 2.82Å; T96-L99 PolarHBondContact O-N 2.79Å; G97-L99 PolarHBondContact O-N 3.22Å
100	N	75.2	Confident	86.4	Confident	46 Å²	46	77.9 Å²	77.9	25%	0.246	48%	0.481	C	S	.	.	H	α-helix	trans	-105.5	-4.9	-178.3	-79	-75.4	0	0	0	114.2	R56 I60 T96 G97 L98	R56-N100 PolarHBondContact NE-OD1 3.48Å; R56-N100 PolarHBondContact NH2-O 2.92Å; R56-N100 PolarHBondContact NH2-OD1 3.3Å; I60-N100 WeakPolarHBondContact CD1-OD1 3.49Å; T96-N100 WeakPolarHBondContact O-CB 3.47Å; T96-N100 PolarHBondContact O-N 3.17Å; T96-N100 PolarHBondContact O-ND2 3.13Å; G97-N100 PolarHBondContact O-N 3.26Å; L98-N100 PolarHBondContact O-N 2.96Å
101	S	76.7	Confident	85.9	Confident	156 Å²	156	76.8 Å²	76.8	100%	1.091	48%	0.475	S	S	*	.			trans	-76.1	0	172.8	-58.2	0	0	0	0	110.4	G97 L98	G97-S101 PolarHBondContact O-N 2.94Å; G97-S101 VanDerWaalsContact O-N 3.13Å; G97-S101 PolarHBondContact O-OG 3.27Å; L98-S101 PolarHBondContact O-N 3.37Å

Retrieved 101 of 101 residues in 219.1 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).