G4VFM6_SCHMA Loading...

Ubiquitin-related modifier 1 homolog

Acts as a sulfur carrier required for 2-thiolation of mcm(5)S(2)U at tRNA wobble positions of cytosolic tRNA(Lys), tRNA(Glu) and tRNA(Gln). Serves as sulfur donor in tRNA 2-thiolation reaction by being thiocarboxylated (-COSH) at its C-terminus by the MOCS3/UBA4 homolog. The sulfur is then transferred to tRNA to form 2-thiolation of mcm(5)S(2)U. Also acts as a ubiquitin-like protein (UBL) that is covalently conjugated via an isopeptide bond to lysine residues of target proteins. The thiocarboxylated form serves as substrate for conjugation and oxidative stress specifically induces the formation of UBL-protein conjugates.

AlphaFold DB , UniProt , Accession G4VFM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 95 aa.

						>G4VFM6_SCHMA|G4VFM6
MRLDIEFSGGAELLFNKQKEYQVDLPPTVVRLGDLLVWLEKNLLQERPELFLQGKSVRPGILILINDVDYSLLGENDYILKEMDKVIFISSLHGG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	96	Very high	96.7	Very high	68 Å²	68	29.7 Å²	29.7	34%	0.335	16%	0.162	S	C	.	.				0	126.1	0	177.8	-166.4	-56.7	0	0	107	L3 L25 L80 K81 E82	M1-L3 HydrophobicContact CG-CD2 4.19Å; M1-L3 HydrophobicContact SD-CD2 3.91Å; M1-L25 PolarHBondContact N-O 3.01Å; M1-L25 WeakPolarHBondContact O-CB 3.45Å; M1-L25 PolarHBondContact O-N 3.07Å; M1-L80 HydrophobicContact CE-CB 4.22Å; M1-L80 VanDerWaalsContact CE-O 3.22Å; M1-L80 WeakPolarHBondContact CE-O 3.39Å; M1-L80 HydrophobicContact SD-CB 3.67Å; M1-K81 VanDerWaalsContact SD-C 3.52Å; M1-E82 WeakPolarHBondContact CA-OE2 3.49Å; M1-E82 WeakPolarHBondContact CB-OE2 3.48Å; M1-E82 HydrophobicContact CG-CB 4.43Å; M1-E82 WeakPolarHBondContact CG-OE2 3.22Å
2	R	98.1	Very high	96.6	Very high	96 Å²	96	29.6 Å²	29.6	36%	0.362	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131	177.4	-175.3	165.5	-74.6	-165.3	-8.4	110.9	V23 D24 E82 M83	R2-V23 CarbonylContact C-O 3.58Å; R2-V23 VanDerWaalsContact CA-O 3.28Å; R2-V23 WeakPolarHBondContact CA-O 3.47Å; R2-D24 WeakPolarHBondContact CB-OD1 3.34Å; R2-D24 IonicContact CZ-OD1 3.64Å; R2-D24 IonicContact CZ-OD2 3.54Å; R2-D24 IonicContact NE-OD1 3.66Å; R2-D24 PolarHBondContact NE-OD1 3.46Å; R2-D24 IonicContact NE-OD2 2.86Å; R2-D24 IonicContact NH2-OD1 2.78Å; R2-D24 PolarHBondContact NH2-OD1 2.77Å; R2-D24 IonicContact NH2-OD2 2.73Å; R2-D24 PolarHBondContact NH2-OD2 3.43Å; R2-E82 VanDerWaalsContact CB-OE1 3.23Å; R2-E82 WeakPolarHBondContact CB-OE1 3.38Å; R2-E82 VanDerWaalsContact N-CD 3.25Å; R2-E82 PolarHBondContact N-OE1 3.23Å; R2-E82 PolarHBondContact N-OE2 3.04Å; R2-M83 HydrophobicContact CB-SD 4.48Å; R2-M83 HydrophobicContact CG-SD 4.46Å; R2-M83 WeakPolarHBondContact O-CA 3.23Å; R2-M83 PolarHBondContact O-N 2.87Å
3	L	98.4	Very high	96.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.4	172.8	-62.1	-167.3	0	0	0	111.5	M1 I5 Q22 V23 L25 L35 L80 K81 D84 V86	M1-L3 HydrophobicContact CG-CD2 4.19Å; M1-L3 HydrophobicContact SD-CD2 3.91Å; L3-I5 HydrophobicContact CB-CG1 4.35Å; L3-Q22 WeakPolarHBondContact O-CA 3.37Å; L3-V23 HydrophobicContact CB-CG2 4.16Å; L3-V23 PolarHBondContact N-O 2.76Å; L3-V23 PolarHBondContact O-N 2.96Å; L3-L25 HydrophobicContact CD1-CD1 3.4Å; L3-L25 VanDerWaalsContact CD1-CD1 3.4Å; L3-L25 HydrophobicContact CG-CD1 3.68Å; L3-L25 HydrophobicContact CG-CG 4.5Å; L3-L35 HydrophobicContact CD1-CD2 4.02Å; L3-L80 HydrophobicContact CD1-CD1 4.16Å; L3-L80 HydrophobicContact CD1-CD2 4Å; L3-L80 HydrophobicContact CD1-CG 4.45Å; L3-K81 WeakPolarHBondContact CD2-O 3.36Å; L3-D84 HydrophobicContact CD2-CB 3.79Å; L3-V86 HydrophobicContact CD1-CG2 4.32Å
4	D	98.5	Very high	96.3	Very high	48 Å²	48	32.1 Å²	32.1	26%	0.257	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.3	165.3	-71.8	-25.2	0	0	0	108.7	Q22 D84 K85 V86	D4-Q22 VanDerWaalsContact OD1-CG 3.29Å; D4-Q22 WeakPolarHBondContact OD1-CG 3.19Å; D4-Q22 PolarHBondContact OD1-NE2 2.93Å; D4-D84 PolarHBondContact N-O 3.1Å; D4-K85 HydrophobicContact CB-CG 4.39Å; D4-K85 CarbonylContact O-C 3.57Å; D4-K85 VanDerWaalsContact O-CA 3.29Å; D4-K85 WeakPolarHBondContact O-CA 3.5Å; D4-V86 PolarHBondContact O-N 3.15Å
5	I	98.5	Very high	96.4	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.2	-179	-56.8	-179.5	0	0	0	109.4	L3 F7 E20 Y21 V23 L35 L39 V86 F88	L3-I5 HydrophobicContact CB-CG1 4.35Å; I5-F7 HydrophobicContact CG2-CD2 4.38Å; I5-F7 HydrophobicContact CG2-CE1 4.38Å; I5-F7 HydrophobicContact CG2-CE2 3.67Å; I5-F7 HydrophobicContact CG2-CZ 3.66Å; I5-E20 CarbonylContact O-C 3.58Å; I5-E20 WeakPolarHBondContact O-CA 3.46Å; I5-Y21 PolarHBondContact N-O 2.85Å; I5-Y21 PolarHBondContact O-N 2.95Å; I5-V23 HydrophobicContact CD1-CG2 3.56Å; I5-V23 HydrophobicContact CG1-CG2 4.13Å; I5-L35 HydrophobicContact CD1-CD1 3.93Å; I5-L35 HydrophobicContact CD1-CD2 4.38Å; I5-L39 HydrophobicContact CD1-CD2 3.93Å; I5-V86 CarbonylContact C-O 3.58Å; I5-V86 WeakPolarHBondContact CA-O 3.37Å; I5-F88 HydrophobicContact CG2-CD2 4.11Å; I5-F88 HydrophobicContact CG2-CE2 3.96Å
6	E	98.5	Very high	96.2	Very high	46 Å²	46	35.6 Å²	35.6	22%	0.215	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.7	178.6	-169.9	-175.3	145.5	0	0	111.4	K19 E20 K85 V86 I87 F88	E6-K19 CarbonylContact C-O 3.33Å; E6-K19 WeakPolarHBondContact CA-O 2.95Å; E6-E20 HydrophobicContact CG-CG 4.4Å; E6-K85 WeakPolarHBondContact OE2-CE 3.22Å; E6-K85 IonicContact OE2-NZ 3.37Å; E6-K85 PolarHBondContact OE2-NZ 3.02Å; E6-V86 PolarHBondContact N-O 2.82Å; E6-I87 HydrophobicContact CB-CB 4.41Å; E6-I87 HydrophobicContact CB-CG1 4.15Å; E6-I87 HydrophobicContact CB-CG2 4.11Å; E6-I87 HydrophobicContact CG-CG2 4.34Å; E6-I87 CarbonylContact O-C 3.44Å; E6-I87 WeakPolarHBondContact O-CA 3.5Å; E6-F88 PolarHBondContact O-N 2.93Å
7	F	97.3	Very high	96.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.8	172.3	-59.9	-78.8	0	0	0	110.2	I5 A11 E12 F15 K19 Y21 L39 F51 F88	I5-F7 HydrophobicContact CG2-CD2 4.38Å; I5-F7 HydrophobicContact CG2-CE1 4.38Å; I5-F7 HydrophobicContact CG2-CE2 3.67Å; I5-F7 HydrophobicContact CG2-CZ 3.66Å; F7-A11 HydrophobicContact CB-CB 4.18Å; F7-A11 HydrophobicContact CD1-CB 4.32Å; F7-E12 HydrophobicContact CB-CB 3.97Å; F7-F15 AromaticContact CD1-CD2 3.46Å; F7-F15 HydrophobicContact CD1-CD2 3.46Å; F7-F15 VanDerWaalsContact CD1-CD2 3.46Å; F7-F15 AromaticContact CD1-CE2 3.42Å; F7-F15 HydrophobicContact CD1-CE2 3.42Å; F7-F15 VanDerWaalsContact CD1-CE2 3.42Å; F7-F15 HydrophobicContact CD1-CG 4.24Å; F7-F15 HydrophobicContact CD1-CZ 4.15Å; F7-F15 HydrophobicContact CD2-CB 4.1Å; F7-F15 AromaticContact CD2-CD2 3.94Å; F7-F15 HydrophobicContact CD2-CD2 3.94Å; F7-F15 AromaticContact CD2-CG 3.94Å; F7-F15 HydrophobicContact CD2-CG 3.94Å; F7-F15 HydrophobicContact CE1-CD1 4.26Å; F7-F15 AromaticContact CE1-CD2 3.5Å; F7-F15 HydrophobicContact CE1-CD2 3.5Å; F7-F15 VanDerWaalsContact CE1-CD2 3.5Å; F7-F15 AromaticContact CE1-CE1 3.94Å; F7-F15 HydrophobicContact CE1-CE1 3.94Å; F7-F15 AromaticContact CE1-CE2 3.13Å; F7-F15 HydrophobicContact CE1-CE2 3.13Å; F7-F15 HydrophobicContact CE1-CG 4.06Å; F7-F15 AromaticContact CE1-CZ 3.37Å; F7-F15 HydrophobicContact CE1-CZ 3.37Å; F7-F15 HydrophobicContact CE2-CB 4.17Å; F7-F15 AromaticContact CE2-CD1 3.88Å; F7-F15 HydrophobicContact CE2-CD1 3.88Å; F7-F15 AromaticContact CE2-CD2 3.94Å; F7-F15 HydrophobicContact CE2-CD2 3.94Å; F7-F15 HydrophobicContact CE2-CE1 4.24Å; F7-F15 HydrophobicContact CE2-CE2 4.32Å; F7-F15 AromaticContact CE2-CG 3.72Å; F7-F15 HydrophobicContact CE2-CG 3.72Å; F7-F15 HydrophobicContact CE2-CZ 4.45Å; F7-F15 AromaticContact CG-CD2 3.7Å; F7-F15 HydrophobicContact CG-CD2 3.7Å; F7-F15 HydrophobicContact CG-CE2 4.16Å; F7-F15 HydrophobicContact CG-CG 4.2Å; F7-F15 AromaticContact CZ-CD1 3.71Å; F7-F15 HydrophobicContact CZ-CD1 3.71Å; F7-F15 AromaticContact CZ-CD2 3.73Å; F7-F15 HydrophobicContact CZ-CD2 3.73Å; F7-F15 AromaticContact CZ-CE1 3.59Å; F7-F15 HydrophobicContact CZ-CE1 3.59Å; F7-F15 AromaticContact CZ-CE2 3.64Å; F7-F15 HydrophobicContact CZ-CE2 3.64Å; F7-F15 AromaticContact CZ-CG 3.78Å; F7-F15 HydrophobicContact CZ-CG 3.78Å; F7-F15 AromaticContact CZ-CZ 3.55Å; F7-F15 HydrophobicContact CZ-CZ 3.55Å; F7-K19 PolarHBondContact N-O 3.17Å; F7-Y21 AromaticContact CD2-CD2 3.89Å; F7-Y21 HydrophobicContact CD2-CD2 3.89Å; F7-Y21 AromaticContact CD2-CE2 3.74Å; F7-Y21 HydrophobicContact CD2-CE2 3.74Å; F7-Y21 AromaticContact CE2-CD2 3.68Å; F7-Y21 HydrophobicContact CE2-CD2 3.68Å; F7-Y21 AromaticContact CE2-CE2 3.67Å; F7-Y21 HydrophobicContact CE2-CE2 3.67Å; F7-L39 HydrophobicContact CZ-CD1 4.37Å; F7-L39 HydrophobicContact CZ-CD2 4.16Å; F7-F51 HydrophobicContact CE1-CE2 4.21Å; F7-F51 HydrophobicContact CE1-CZ 4.19Å; F7-F88 WeakPolarHBondContact CA-O 3.38Å; F7-F88 HydrophobicContact CD1-CB 3.69Å; F7-F88 AromaticContact CD1-CD2 3.92Å; F7-F88 HydrophobicContact CD1-CD2 3.92Å; F7-F88 HydrophobicContact CD1-CG 4.06Å; F7-F88 HydrophobicContact CE1-CB 4.01Å; F7-F88 AromaticContact CE1-CD2 3.47Å; F7-F88 HydrophobicContact CE1-CD2 3.47Å; F7-F88 VanDerWaalsContact CE1-CD2 3.47Å; F7-F88 HydrophobicContact CE1-CE2 4.13Å; F7-F88 AromaticContact CE1-CG 3.85Å; F7-F88 HydrophobicContact CE1-CG 3.85Å; F7-F88 HydrophobicContact CZ-CD2 4.16Å
8	S	95.8	Very high	96.1	Very high	25 Å²	25	45.4 Å²	45.4	18%	0.175	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	176.9	178.4	69.9	0	0	0	0	112.5	G10 A11 E12 F88 I89 S90	S8-G10 VanDerWaalsContact C-N 3.26Å; S8-G10 PolarHBondContact O-N 3.17Å; S8-A11 WeakPolarHBondContact O-CB 3.23Å; S8-A11 PolarHBondContact O-N 2.98Å; S8-A11 VanDerWaalsContact O-N 3.13Å; S8-E12 WeakPolarHBondContact CA-OE2 3.28Å; S8-F88 PolarHBondContact N-O 3.12Å; S8-I89 WeakPolarHBondContact OG-CG1 3.17Å; S8-S90 PolarHBondContact O-N 2.97Å
9	G	94.4	Very high	96.2	Very high	32 Å²	32	48.9 Å²	48.9	33%	0.33	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	28	-177.9	0	0	0	0	0	113.5	A11 S90	G9-A11 VanDerWaalsContact C-N 3.27Å; G9-A11 PolarHBondContact O-N 2.96Å; G9-S90 CarbonylContact C-O 3.57Å; G9-S90 VanDerWaalsContact CA-O 3.22Å; G9-S90 WeakPolarHBondContact CA-O 3.21Å; G9-S90 CarbonylContact O-C 3.36Å; G9-S90 VanDerWaalsContact O-CB 3.27Å; G9-S90 WeakPolarHBondContact O-CB 3.41Å; G9-S90 PolarHBondContact O-OG 3.24Å
10	G	93.7	Very high	96.3	Very high	9 Å²	9	53.5 Å²	53.5	9%	0.093	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-2	-174.9	0	0	0	0	0	113.5	S8 E12 L13	S8-G10 VanDerWaalsContact C-N 3.26Å; S8-G10 PolarHBondContact O-N 3.17Å; G10-E12 VanDerWaalsContact C-OE2 3.25Å; G10-E12 WeakPolarHBondContact CA-OE2 3.47Å; G10-E12 PolarHBondContact N-OE2 2.95Å; G10-E12 PolarHBondContact O-N 2.78Å; G10-L13 VanDerWaalsContact O-CB 3.32Å; G10-L13 WeakPolarHBondContact O-CB 3.44Å; G10-L13 WeakPolarHBondContact O-CG 3.49Å; G10-L13 PolarHBondContact O-N 2.99Å
11	A	95	Very high	96.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.7	-33	172.7	0	0	0	0	0	111.3	F7 S8 G9 L13 L14 F15	F7-A11 HydrophobicContact CB-CB 4.18Å; F7-A11 HydrophobicContact CD1-CB 4.32Å; S8-A11 WeakPolarHBondContact O-CB 3.23Å; S8-A11 PolarHBondContact O-N 2.98Å; S8-A11 VanDerWaalsContact O-N 3.13Å; G9-A11 VanDerWaalsContact C-N 3.27Å; G9-A11 PolarHBondContact O-N 2.96Å; A11-L13 PolarHBondContact O-N 2.95Å; A11-L13 VanDerWaalsContact O-N 3.1Å; A11-L14 WeakPolarHBondContact O-CB 3.41Å; A11-L14 PolarHBondContact O-N 3.41Å; A11-F15 WeakPolarHBondContact O-CD2 3.2Å
12	E	95.5	Very high	96.5	Very high	28 Å²	28	55.6 Å²	55.6	13%	0.131	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-59.6	-23.4	179	67.3	-89.9	-142.1	0	0	112.9	F7 S8 G10 L14 F15 K17 K19	F7-E12 HydrophobicContact CB-CB 3.97Å; S8-E12 WeakPolarHBondContact CA-OE2 3.28Å; G10-E12 VanDerWaalsContact C-OE2 3.25Å; G10-E12 WeakPolarHBondContact CA-OE2 3.47Å; G10-E12 PolarHBondContact N-OE2 2.95Å; G10-E12 PolarHBondContact O-N 2.78Å; E12-L14 PolarHBondContact O-N 2.86Å; E12-F15 CarbonylContact O-C 3.58Å; E12-F15 PolarHBondContact O-N 3.37Å; E12-K17 WeakPolarHBondContact O-CA 3.46Å; E12-K17 PolarHBondContact O-N 3.33Å; E12-K19 HydrophobicContact CB-CG 4.03Å; E12-K19 HydrophobicContact CG-CG 4.11Å; E12-K19 WeakPolarHBondContact OE1-CE 3.45Å; E12-K19 IonicContact OE1-NZ 3.76Å
13	L	94.5	Very high	96.5	Very high	87 Å²	87	51.6 Å²	51.6	46%	0.455	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-61.6	-27.7	176.2	-60.8	177.6	0	0	0	112	G10 A11 F15 K17	G10-L13 VanDerWaalsContact O-CB 3.32Å; G10-L13 WeakPolarHBondContact O-CB 3.44Å; G10-L13 WeakPolarHBondContact O-CG 3.49Å; G10-L13 PolarHBondContact O-N 2.99Å; A11-L13 PolarHBondContact O-N 2.95Å; A11-L13 VanDerWaalsContact O-N 3.1Å; L13-F15 VanDerWaalsContact C-N 3.28Å; L13-K17 HydrophobicContact CD2-CG 4.2Å
14	L	94.8	Very high	96.4	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.037	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-79.6	-14.3	177.5	-50.1	179.3	0	0	0	112.6	A11 E12 L44 Q45 E46 L50 F51	A11-L14 WeakPolarHBondContact O-CB 3.41Å; A11-L14 PolarHBondContact O-N 3.41Å; E12-L14 PolarHBondContact O-N 2.86Å; L14-L44 HydrophobicContact CB-CD1 3.7Å; L14-Q45 PolarHBondContact O-N 3.25Å; L14-E46 HydrophobicContact CB-CB 4.35Å; L14-E46 HydrophobicContact CD2-CB 3.81Å; L14-E46 HydrophobicContact CD2-CG 4.11Å; L14-L50 HydrophobicContact CD1-CB 4.19Å; L14-L50 HydrophobicContact CD2-CB 3.88Å; L14-L50 HydrophobicContact CD2-CD1 3.94Å; L14-F51 HydrophobicContact CD1-CB 3.89Å; L14-F51 HydrophobicContact CD1-CD2 4.17Å; L14-F51 HydrophobicContact CD1-CG 4.47Å
15	F	96.4	Very high	96.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	53.3	-173.7	-61.1	-85.7	0	0	0	110.3	F7 A11 E12 L13 K17 Q18 Y21 L39 L43 L44 F51	F7-F15 AromaticContact CD1-CD2 3.46Å; F7-F15 HydrophobicContact CD1-CD2 3.46Å; F7-F15 VanDerWaalsContact CD1-CD2 3.46Å; F7-F15 AromaticContact CD1-CE2 3.42Å; F7-F15 HydrophobicContact CD1-CE2 3.42Å; F7-F15 VanDerWaalsContact CD1-CE2 3.42Å; F7-F15 HydrophobicContact CD1-CG 4.24Å; F7-F15 HydrophobicContact CD1-CZ 4.15Å; F7-F15 HydrophobicContact CD2-CB 4.1Å; F7-F15 AromaticContact CD2-CD2 3.94Å; F7-F15 HydrophobicContact CD2-CD2 3.94Å; F7-F15 AromaticContact CD2-CG 3.94Å; F7-F15 HydrophobicContact CD2-CG 3.94Å; F7-F15 HydrophobicContact CE1-CD1 4.26Å; F7-F15 AromaticContact CE1-CD2 3.5Å; F7-F15 HydrophobicContact CE1-CD2 3.5Å; F7-F15 VanDerWaalsContact CE1-CD2 3.5Å; F7-F15 AromaticContact CE1-CE1 3.94Å; F7-F15 HydrophobicContact CE1-CE1 3.94Å; F7-F15 AromaticContact CE1-CE2 3.13Å; F7-F15 HydrophobicContact CE1-CE2 3.13Å; F7-F15 HydrophobicContact CE1-CG 4.06Å; F7-F15 AromaticContact CE1-CZ 3.37Å; F7-F15 HydrophobicContact CE1-CZ 3.37Å; F7-F15 HydrophobicContact CE2-CB 4.17Å; F7-F15 AromaticContact CE2-CD1 3.88Å; F7-F15 HydrophobicContact CE2-CD1 3.88Å; F7-F15 AromaticContact CE2-CD2 3.94Å; F7-F15 HydrophobicContact CE2-CD2 3.94Å; F7-F15 HydrophobicContact CE2-CE1 4.24Å; F7-F15 HydrophobicContact CE2-CE2 4.32Å; F7-F15 AromaticContact CE2-CG 3.72Å; F7-F15 HydrophobicContact CE2-CG 3.72Å; F7-F15 HydrophobicContact CE2-CZ 4.45Å; F7-F15 AromaticContact CG-CD2 3.7Å; F7-F15 HydrophobicContact CG-CD2 3.7Å; F7-F15 HydrophobicContact CG-CE2 4.16Å; F7-F15 HydrophobicContact CG-CG 4.2Å; F7-F15 AromaticContact CZ-CD1 3.71Å; F7-F15 HydrophobicContact CZ-CD1 3.71Å; F7-F15 AromaticContact CZ-CD2 3.73Å; F7-F15 HydrophobicContact CZ-CD2 3.73Å; F7-F15 AromaticContact CZ-CE1 3.59Å; F7-F15 HydrophobicContact CZ-CE1 3.59Å; F7-F15 AromaticContact CZ-CE2 3.64Å; F7-F15 HydrophobicContact CZ-CE2 3.64Å; F7-F15 AromaticContact CZ-CG 3.78Å; F7-F15 HydrophobicContact CZ-CG 3.78Å; F7-F15 AromaticContact CZ-CZ 3.55Å; F7-F15 HydrophobicContact CZ-CZ 3.55Å; A11-F15 WeakPolarHBondContact O-CD2 3.2Å; E12-F15 CarbonylContact O-C 3.58Å; E12-F15 PolarHBondContact O-N 3.37Å; L13-F15 VanDerWaalsContact C-N 3.28Å; F15-K17 PolarHBondContact O-N 2.78Å; F15-Q18 PolarHBondContact O-N 2.79Å; F15-Y21 HydrophobicContact CB-CE2 4.16Å; F15-Y21 PolarHBondContact O-OH 3Å; F15-L39 HydrophobicContact CE1-CB 4.49Å; F15-L43 HydrophobicContact CD1-CB 3.83Å; F15-L43 HydrophobicContact CE1-CB 4.14Å; F15-L44 HydrophobicContact CD1-CD1 4.36Å; F15-L44 HydrophobicContact CE1-CB 3.93Å; F15-L44 HydrophobicContact CE1-CD1 3.78Å; F15-L44 HydrophobicContact CE1-CG 4.48Å; F15-L44 HydrophobicContact CE2-CD1 3.94Å; F15-L44 HydrophobicContact CZ-CB 4.44Å; F15-L44 HydrophobicContact CZ-CD1 3.54Å; F15-F51 AromaticContact CE2-CD2 3.84Å; F15-F51 HydrophobicContact CE2-CD2 3.84Å; F15-F51 AromaticContact CE2-CE2 3.81Å; F15-F51 HydrophobicContact CE2-CE2 3.81Å; F15-F51 HydrophobicContact CE2-CG 4.29Å; F15-F51 HydrophobicContact CE2-CZ 4.22Å; F15-F51 AromaticContact CZ-CD1 3.97Å; F15-F51 HydrophobicContact CZ-CD1 3.97Å; F15-F51 AromaticContact CZ-CD2 3.98Å; F15-F51 HydrophobicContact CZ-CD2 3.98Å; F15-F51 AromaticContact CZ-CE1 3.87Å; F15-F51 HydrophobicContact CZ-CE1 3.87Å; F15-F51 AromaticContact CZ-CE2 3.87Å; F15-F51 HydrophobicContact CZ-CE2 3.87Å; F15-F51 HydrophobicContact CZ-CG 4.04Å; F15-F51 AromaticContact CZ-CZ 3.82Å; F15-F51 HydrophobicContact CZ-CZ 3.82Å
16	N	94.3	Very high	96.4	Very high	120 Å²	120	56.8 Å²	56.8	64%	0.642	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	28.1	176.5	-165.1	35.4	0	0	0	114.9	Q18 Q45	N16-Q18 PolarHBondContact O-N 3.31Å; N16-Q18 VanDerWaalsContact O-N 3.1Å; N16-Q45 HydrophobicContact CB-CG 4.24Å
17	K	94.9	Very high	96.3	Very high	160 Å²	160	60.6 Å²	60.6	70%	0.696	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	13.4	-176.2	-50.7	178.4	179.6	177	0	114.2	E12 L13 F15	E12-K17 WeakPolarHBondContact O-CA 3.46Å; E12-K17 PolarHBondContact O-N 3.33Å; L13-K17 HydrophobicContact CD2-CG 4.2Å; F15-K17 PolarHBondContact O-N 2.78Å
18	Q	95.9	Very high	96.3	Very high	88 Å²	88	66 Å²	66	41%	0.411	35%	0.35	S	S	.	.			trans	-90.5	126.5	176.3	176	171.4	-20.9	0	0	108.9	F15 N16 E20 Y21	F15-Q18 PolarHBondContact O-N 2.79Å; N16-Q18 PolarHBondContact O-N 3.31Å; N16-Q18 VanDerWaalsContact O-N 3.1Å; Q18-E20 WeakPolarHBondContact CG-O 3.36Å; Q18-E20 PolarHBondContact NE2-O 3.18Å; Q18-Y21 HydrophobicContact CB-CE1 4.49Å; Q18-Y21 HydrophobicContact CB-CE2 3.99Å; Q18-Y21 WeakPolarHBondContact CB-OH 3.48Å; Q18-Y21 VanDerWaalsContact CD-CE1 3.49Å; Q18-Y21 HydrophobicContact CG-CD2 4.29Å; Q18-Y21 HydrophobicContact CG-CE1 4.07Å; Q18-Y21 HydrophobicContact CG-CE2 3.76Å; Q18-Y21 WeakPolarHBondContact O-CE2 3.46Å
19	K	97.4	Very high	96.4	Very high	113 Å²	113	65.2 Å²	65.2	49%	0.491	35%	0.345	S	S	.	.			trans	-84.4	-40.8	-176.1	-66.6	-172.4	172.9	-168.9	0	112.4	E6 F7 E12	E6-K19 CarbonylContact C-O 3.33Å; E6-K19 WeakPolarHBondContact CA-O 2.95Å; F7-K19 PolarHBondContact N-O 3.17Å; E12-K19 HydrophobicContact CB-CG 4.03Å; E12-K19 HydrophobicContact CG-CG 4.11Å; E12-K19 WeakPolarHBondContact OE1-CE 3.45Å; E12-K19 IonicContact OE1-NZ 3.76Å
20	E	98.3	Very high	96.6	Very high	140 Å²	140	66.4 Å²	66.4	65%	0.654	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	138	-170.8	-67.1	172.4	-156.8	0	0	111	I5 E6 Q18	I5-E20 CarbonylContact O-C 3.58Å; I5-E20 WeakPolarHBondContact O-CA 3.46Å; E6-E20 HydrophobicContact CG-CG 4.4Å; Q18-E20 WeakPolarHBondContact CG-O 3.36Å; Q18-E20 PolarHBondContact NE2-O 3.18Å
21	Y	98.2	Very high	96.8	Very high	31 Å²	31	71.4 Å²	71.4	12%	0.122	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.7	175.4	-66.4	-96	0	0	0	109.8	I5 F7 F15 Q18 L43	I5-Y21 PolarHBondContact N-O 2.85Å; I5-Y21 PolarHBondContact O-N 2.95Å; F7-Y21 AromaticContact CD2-CD2 3.89Å; F7-Y21 HydrophobicContact CD2-CD2 3.89Å; F7-Y21 AromaticContact CD2-CE2 3.74Å; F7-Y21 HydrophobicContact CD2-CE2 3.74Å; F7-Y21 AromaticContact CE2-CD2 3.68Å; F7-Y21 HydrophobicContact CE2-CD2 3.68Å; F7-Y21 AromaticContact CE2-CE2 3.67Å; F7-Y21 HydrophobicContact CE2-CE2 3.67Å; F15-Y21 HydrophobicContact CB-CE2 4.16Å; F15-Y21 PolarHBondContact O-OH 3Å; Q18-Y21 HydrophobicContact CB-CE1 4.49Å; Q18-Y21 HydrophobicContact CB-CE2 3.99Å; Q18-Y21 WeakPolarHBondContact CB-OH 3.48Å; Q18-Y21 VanDerWaalsContact CD-CE1 3.49Å; Q18-Y21 HydrophobicContact CG-CD2 4.29Å; Q18-Y21 HydrophobicContact CG-CE1 4.07Å; Q18-Y21 HydrophobicContact CG-CE2 3.76Å; Q18-Y21 WeakPolarHBondContact O-CE2 3.46Å; Y21-L43 HydrophobicContact CD1-CD1 3.9Å; Y21-L43 HydrophobicContact CD1-CD2 4.36Å; Y21-L43 HydrophobicContact CD2-CD1 4.49Å; Y21-L43 HydrophobicContact CE1-CD1 4.15Å; Y21-L43 HydrophobicContact CE1-CD2 4.2Å; Y21-L43 HydrophobicContact CG-CD1 4.07Å
22	Q	98	Very high	96.9	Very high	134 Å²	134	71.4 Å²	71.4	63%	0.626	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.5	161.7	-55	-160.4	-58.9	0	0	107.6	L3 D4	L3-Q22 WeakPolarHBondContact O-CA 3.37Å; D4-Q22 VanDerWaalsContact OD1-CG 3.29Å; D4-Q22 WeakPolarHBondContact OD1-CG 3.19Å; D4-Q22 PolarHBondContact OD1-NE2 2.93Å
23	V	97.5	Very high	97	Very high	13 Å²	13	70.9 Å²	70.9	8%	0.079	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134	-174.5	-63.4	0	0	0	0	111.5	R2 L3 I5 L25 W38 L43	R2-V23 CarbonylContact C-O 3.58Å; R2-V23 VanDerWaalsContact CA-O 3.28Å; R2-V23 WeakPolarHBondContact CA-O 3.47Å; L3-V23 HydrophobicContact CB-CG2 4.16Å; L3-V23 PolarHBondContact N-O 2.76Å; L3-V23 PolarHBondContact O-N 2.96Å; I5-V23 HydrophobicContact CD1-CG2 3.56Å; I5-V23 HydrophobicContact CG1-CG2 4.13Å; V23-L25 HydrophobicContact CB-CD2 4.46Å; V23-L25 HydrophobicContact CG2-CD2 3.88Å; V23-L25 HydrophobicContact CG2-CG 4.07Å; V23-W38 HydrophobicContact CB-CH2 4.16Å; V23-W38 HydrophobicContact CB-CZ3 4.43Å; V23-W38 HydrophobicContact CG1-CH2 4.02Å; V23-W38 HydrophobicContact CG1-CZ3 4.19Å; V23-L43 HydrophobicContact CG1-CD1 4.18Å
24	D	98	Very high	97.1	Very high	104 Å²	104	69.5 Å²	69.5	56%	0.556	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	103.9	168	-68.2	-53.3	0	0	0	108.9	R2	R2-D24 WeakPolarHBondContact CB-OD1 3.34Å; R2-D24 IonicContact CZ-OD1 3.64Å; R2-D24 IonicContact CZ-OD2 3.54Å; R2-D24 IonicContact NE-OD1 3.66Å; R2-D24 PolarHBondContact NE-OD1 3.46Å; R2-D24 IonicContact NE-OD2 2.86Å; R2-D24 IonicContact NH2-OD1 2.78Å; R2-D24 PolarHBondContact NH2-OD1 2.77Å; R2-D24 IonicContact NH2-OD2 2.73Å; R2-D24 PolarHBondContact NH2-OD2 3.43Å
25	L	98	Very high	97.3	Very high	8 Å²	8	69.1 Å²	69.1	4%	0.042	36%	0.355	C	S	.	.			trans	-81.2	142.9	-177	-63.5	176.2	0	0	0	112.3	M1 L3 V23 V29 L35 W38	M1-L25 PolarHBondContact N-O 3.01Å; M1-L25 WeakPolarHBondContact O-CB 3.45Å; M1-L25 PolarHBondContact O-N 3.07Å; L3-L25 HydrophobicContact CD1-CD1 3.4Å; L3-L25 VanDerWaalsContact CD1-CD1 3.4Å; L3-L25 HydrophobicContact CG-CD1 3.68Å; L3-L25 HydrophobicContact CG-CG 4.5Å; V23-L25 HydrophobicContact CB-CD2 4.46Å; V23-L25 HydrophobicContact CG2-CD2 3.88Å; V23-L25 HydrophobicContact CG2-CG 4.07Å; L25-V29 HydrophobicContact CB-CB 4.29Å; L25-V29 HydrophobicContact CD1-CB 4.42Å; L25-V29 HydrophobicContact CD1-CG1 3.82Å; L25-V29 HydrophobicContact CD2-CG1 4.47Å; L25-L35 HydrophobicContact CD1-CD1 4.05Å; L25-L35 HydrophobicContact CD2-CD1 4.04Å; L25-W38 HydrophobicContact CD2-CD2 3.75Å; L25-W38 HydrophobicContact CD2-CE3 3.79Å; L25-W38 HydrophobicContact CD2-CG 4.32Å; L25-W38 HydrophobicContact CD2-CH2 4.23Å; L25-W38 HydrophobicContact CD2-CZ2 4.19Å; L25-W38 HydrophobicContact CD2-CZ3 4.03Å
26	P	97.7	Very high	97.3	Very high	47 Å²	47	69.2 Å²	69.2	31%	0.305	36%	0.355	S	S	.	.			trans	-68.2	156.9	174.3	30.7	-35	0	0	0	111.1	T28 V29	P26-T28 PolarHBondContact O-N 3.08Å; P26-V29 HydrophobicContact CG-CG2 3.93Å; P26-V29 PolarHBondContact O-N 3.35Å
27	P	96.8	Very high	97.4	Very high	127 Å²	127	66.6 Å²	66.6	83%	0.825	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.8	-178.6	-23.7	33.7	0	0	0	115.3	V29 V30	P27-V29 VanDerWaalsContact C-N 3.32Å; P27-V30 WeakPolarHBondContact O-CG2 3.45Å
28	T	97	Very high	97.5	Very high	112 Å²	112	61.1 Å²	61.1	69%	0.687	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.2	177	54	0	0	0	0	113.4	P26	P26-T28 PolarHBondContact O-N 3.08Å
29	V	97.9	Very high	97.5	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.055	30%	0.299	C	S	.	.			trans	-93.7	99.3	177.1	179.7	0	0	0	0	107.8	L25 P26 P27 D34 L35 W38 L80	L25-V29 HydrophobicContact CB-CB 4.29Å; L25-V29 HydrophobicContact CD1-CB 4.42Å; L25-V29 HydrophobicContact CD1-CG1 3.82Å; L25-V29 HydrophobicContact CD2-CG1 4.47Å; P26-V29 HydrophobicContact CG-CG2 3.93Å; P26-V29 PolarHBondContact O-N 3.35Å; P27-V29 VanDerWaalsContact C-N 3.32Å; V29-D34 HydrophobicContact CB-CB 4.35Å; V29-D34 HydrophobicContact CG1-CB 4.02Å; V29-L35 HydrophobicContact CG1-CB 4Å; V29-W38 HydrophobicContact CG2-CB 3.87Å; V29-W38 HydrophobicContact CG2-CG 3.96Å; V29-L80 HydrophobicContact CG1-CD1 4.09Å
30	V	98.2	Very high	97.4	Very high	58 Å²	58	54.9 Å²	54.9	35%	0.352	29%	0.291	S	S	.	.			trans	-113.2	-41.7	-174.2	-179	0	0	0	0	110.8	P27 D34 I79 L80	P27-V30 WeakPolarHBondContact O-CG2 3.45Å; V30-D34 PolarHBondContact N-OD2 3.46Å; V30-D34 VanDerWaalsContact N-OD2 3.17Å; V30-I79 HydrophobicContact CG1-CD1 4.05Å; V30-I79 HydrophobicContact CG1-CG2 4.29Å; V30-L80 PolarHBondContact O-N 2.97Å
31	R	98	Very high	97.3	Very high	114 Å²	114	55.5 Å²	55.5	43%	0.43	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-102.4	160.2	-178.8	-67.6	178.2	179.1	96	-0.4	112.2	G33 D34 L35 N76 Y78 I79 L80	R31-G33 PolarHBondContact O-N 3Å; R31-D34 PolarHBondContact N-OD2 3.37Å; R31-D34 WeakPolarHBondContact O-CB 3.45Å; R31-D34 PolarHBondContact O-N 3.41Å; R31-L35 PolarHBondContact O-N 3.1Å; R31-L35 VanDerWaalsContact O-N 3.08Å; R31-N76 WeakPolarHBondContact CB-O 3.46Å; R31-Y78 CarbonylContact C-O 3.54Å; R31-Y78 WeakPolarHBondContact CA-O 3.09Å; R31-I79 HydrophobicContact CG-CD1 3.76Å; R31-L80 WeakPolarHBondContact O-CD1 3.48Å
32	L	97.9	Very high	97.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-54.4	-40.3	171.6	-174.9	71.8	0	0	0	111.7	D34 L35 L36 I63 I65 Y70 E75 Y78 L80 V86	L32-D34 VanDerWaalsContact C-N 3.29Å; L32-D34 PolarHBondContact O-N 2.81Å; L32-L35 HydrophobicContact CD1-CD2 4.2Å; L32-L35 WeakPolarHBondContact O-CA 3.48Å; L32-L35 WeakPolarHBondContact O-CB 3.36Å; L32-L35 PolarHBondContact O-N 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 3.27Å; L32-I63 HydrophobicContact CD1-CG2 4.48Å; L32-I63 HydrophobicContact CD2-CD1 4.15Å; L32-I63 HydrophobicContact CD2-CG2 4.38Å; L32-I65 HydrophobicContact CD1-CD1 4.26Å; L32-I65 HydrophobicContact CD2-CD1 4.29Å; L32-Y70 HydrophobicContact CD2-CD2 3.55Å; L32-Y70 HydrophobicContact CD2-CE2 4.34Å; L32-Y70 HydrophobicContact CD2-CG 4.4Å; L32-E75 VanDerWaalsContact CD2-O 3.27Å; L32-E75 WeakPolarHBondContact CD2-O 3.5Å; L32-Y78 PolarHBondContact N-O 3.4Å; L32-L80 HydrophobicContact CD1-CD2 4.38Å; L32-V86 HydrophobicContact CD1-CG1 4.13Å
33	G	97.2	Very high	97.2	Very high	16 Å²	16	53 Å²	53	17%	0.165	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-36.4	175.1	0	0	0	0	0	113.6	R31 L35 L36 V37 N76	R31-G33 PolarHBondContact O-N 3Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L36 PolarHBondContact O-N 3.04Å; G33-V37 PolarHBondContact O-N 3.32Å; G33-N76 PolarHBondContact N-O 2.8Å
34	D	97.2	Very high	97.1	Very high	58 Å²	58	53.1 Å²	53.1	31%	0.31	28%	0.284	S	S	.	.	H	α-helix	trans	-68.4	-36	175.2	-54.1	-41.2	0	0	0	110.8	V29 V30 R31 L32 V37 W38	V29-D34 HydrophobicContact CB-CB 4.35Å; V29-D34 HydrophobicContact CG1-CB 4.02Å; V30-D34 PolarHBondContact N-OD2 3.46Å; V30-D34 VanDerWaalsContact N-OD2 3.17Å; R31-D34 PolarHBondContact N-OD2 3.37Å; R31-D34 WeakPolarHBondContact O-CB 3.45Å; R31-D34 PolarHBondContact O-N 3.41Å; L32-D34 VanDerWaalsContact C-N 3.29Å; L32-D34 PolarHBondContact O-N 2.81Å; D34-V37 PolarHBondContact O-N 3.38Å; D34-W38 WeakPolarHBondContact O-CB 3.27Å; D34-W38 PolarHBondContact O-N 2.79Å
35	L	97.9	Very high	97	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-41.4	175.6	174.9	63	0	0	0	111.3	L3 I5 L25 V29 R31 L32 G33 V37 W38 L39 L80 V86	L3-L35 HydrophobicContact CD1-CD2 4.02Å; I5-L35 HydrophobicContact CD1-CD1 3.93Å; I5-L35 HydrophobicContact CD1-CD2 4.38Å; L25-L35 HydrophobicContact CD1-CD1 4.05Å; L25-L35 HydrophobicContact CD2-CD1 4.04Å; V29-L35 HydrophobicContact CG1-CB 4Å; R31-L35 PolarHBondContact O-N 3.1Å; R31-L35 VanDerWaalsContact O-N 3.08Å; L32-L35 HydrophobicContact CD1-CD2 4.2Å; L32-L35 WeakPolarHBondContact O-CA 3.48Å; L32-L35 WeakPolarHBondContact O-CB 3.36Å; L32-L35 PolarHBondContact O-N 3.31Å; G33-L35 VanDerWaalsContact C-N 3.32Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.09Å; L35-W38 HydrophobicContact CD1-CE3 4.29Å; L35-W38 CarbonylContact O-C 3.5Å; L35-W38 WeakPolarHBondContact O-CB 3.34Å; L35-W38 PolarHBondContact O-N 2.82Å; L35-W38 VanDerWaalsContact O-N 3.1Å; L35-L39 HydrophobicContact CD1-CD1 4.35Å; L35-L39 HydrophobicContact CD1-CD2 4.43Å; L35-L39 HydrophobicContact CD1-CG 4Å; L35-L39 HydrophobicContact CG-CD1 4.08Å; L35-L39 HydrophobicContact CG-CG 4.21Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 3.37Å; L35-L80 HydrophobicContact CB-CD1 3.82Å; L35-L80 HydrophobicContact CD2-CD1 4.26Å; L35-L80 HydrophobicContact CD2-CD2 4.33Å; L35-V86 HydrophobicContact CD2-CG1 4.35Å; L35-V86 HydrophobicContact CD2-CG2 4.22Å
36	L	97.2	Very high	96.8	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-44.8	177.1	-62	-175.4	0	0	0	111.9	L32 G33 W38 L39 E40 F51 L52 V57 I63 F88	L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 3.27Å; G33-L36 PolarHBondContact O-N 3.04Å; L36-W38 VanDerWaalsContact C-N 3.3Å; L36-W38 PolarHBondContact O-N 2.92Å; L36-L39 PolarHBondContact O-N 3.03Å; L36-E40 PolarHBondContact O-N 3.4Å; L36-E40 VanDerWaalsContact O-N 3.09Å; L36-F51 HydrophobicContact CD2-CE1 4.47Å; L36-L52 HydrophobicContact CB-CD2 4.17Å; L36-V57 HydrophobicContact CD1-CG1 4.17Å; L36-V57 HydrophobicContact CD2-CG1 3.76Å; L36-I63 HydrophobicContact CD2-CD1 4.42Å; L36-F88 HydrophobicContact CD2-CE1 3.63Å; L36-F88 HydrophobicContact CD2-CZ 3.87Å
37	V	95.7	Very high	96.5	Very high	65 Å²	65	64.4 Å²	64.4	39%	0.394	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-36.2	175.7	176.8	0	0	0	0	111.3	G33 D34 L35 K41	G33-V37 PolarHBondContact O-N 3.32Å; D34-V37 PolarHBondContact O-N 3.38Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.09Å; V37-K41 HydrophobicContact CG1-CD 4.22Å; V37-K41 WeakPolarHBondContact O-CG 3.49Å; V37-K41 PolarHBondContact O-N 2.98Å
38	W	96.9	Very high	96.3	Very high	44 Å²	44	60.7 Å²	60.7	17%	0.167	30%	0.298	C	S	.	.	H	α-helix	trans	-68.7	-43	177	-173.1	93	0	0	0	111.8	V23 L25 V29 D34 L35 L36 E40 K41 N42 L43	V23-W38 HydrophobicContact CB-CH2 4.16Å; V23-W38 HydrophobicContact CB-CZ3 4.43Å; V23-W38 HydrophobicContact CG1-CH2 4.02Å; V23-W38 HydrophobicContact CG1-CZ3 4.19Å; L25-W38 HydrophobicContact CD2-CD2 3.75Å; L25-W38 HydrophobicContact CD2-CE3 3.79Å; L25-W38 HydrophobicContact CD2-CG 4.32Å; L25-W38 HydrophobicContact CD2-CH2 4.23Å; L25-W38 HydrophobicContact CD2-CZ2 4.19Å; L25-W38 HydrophobicContact CD2-CZ3 4.03Å; V29-W38 HydrophobicContact CG2-CB 3.87Å; V29-W38 HydrophobicContact CG2-CG 3.96Å; D34-W38 WeakPolarHBondContact O-CB 3.27Å; D34-W38 PolarHBondContact O-N 2.79Å; L35-W38 HydrophobicContact CD1-CE3 4.29Å; L35-W38 CarbonylContact O-C 3.5Å; L35-W38 WeakPolarHBondContact O-CB 3.34Å; L35-W38 PolarHBondContact O-N 2.82Å; L35-W38 VanDerWaalsContact O-N 3.1Å; L36-W38 VanDerWaalsContact C-N 3.3Å; L36-W38 PolarHBondContact O-N 2.92Å; W38-E40 PolarHBondContact O-N 3.22Å; W38-K41 PolarHBondContact O-N 3.49Å; W38-N42 HydrophobicContact CD2-CB 4.25Å; W38-N42 HydrophobicContact CE3-CB 4.36Å; W38-N42 HydrophobicContact CH2-CB 4.05Å; W38-N42 HydrophobicContact CZ2-CB 3.93Å; W38-N42 HydrophobicContact CZ3-CB 4.27Å; W38-N42 PolarHBondContact NE1-ND2 2.98Å; W38-N42 WeakPolarHBondContact O-CB 3.29Å; W38-N42 PolarHBondContact O-N 3.25Å; W38-N42 PolarHBondContact O-ND2 3.25Å; W38-L43 HydrophobicContact CH2-CD1 4.46Å; W38-L43 HydrophobicContact CH2-CD2 4.46Å; W38-L43 HydrophobicContact CH2-CG 4.23Å; W38-L43 HydrophobicContact CZ3-CD1 3.89Å; W38-L43 HydrophobicContact CZ3-CG 3.83Å
39	L	97	Very high	96.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-46.4	176.7	-74.6	174.6	0	0	0	111.6	I5 F7 F15 L35 L36 K41 N42 L43 L44 F51 F88	I5-L39 HydrophobicContact CD1-CD2 3.93Å; F7-L39 HydrophobicContact CZ-CD1 4.37Å; F7-L39 HydrophobicContact CZ-CD2 4.16Å; F15-L39 HydrophobicContact CE1-CB 4.49Å; L35-L39 HydrophobicContact CD1-CD1 4.35Å; L35-L39 HydrophobicContact CD1-CD2 4.43Å; L35-L39 HydrophobicContact CD1-CG 4Å; L35-L39 HydrophobicContact CG-CD1 4.08Å; L35-L39 HydrophobicContact CG-CG 4.21Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 3.37Å; L36-L39 PolarHBondContact O-N 3.03Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 2.91Å; L39-N42 PolarHBondContact O-N 2.94Å; L39-L43 HydrophobicContact CD2-CB 4.31Å; L39-L43 HydrophobicContact CD2-CD1 3.68Å; L39-L43 HydrophobicContact CD2-CG 4.23Å; L39-L43 PolarHBondContact O-N 3.34Å; L39-L44 PolarHBondContact O-N 3.32Å; L39-F51 HydrophobicContact CB-CE1 4.49Å; L39-F51 HydrophobicContact CD1-CE1 4.36Å; L39-F51 HydrophobicContact CD1-CZ 4.36Å; L39-F88 HydrophobicContact CD1-CE2 3.69Å; L39-F88 HydrophobicContact CD1-CZ 3.6Å
40	E	95.5	Very high	95.8	Very high	70 Å²	70	62.9 Å²	62.9	33%	0.327	30%	0.302	S	S	.	.	H	α-helix	trans	-53.9	-44.1	175.5	-174.6	-170.8	-166.3	0	0	112	L36 W38 L44 P48 L52	L36-E40 PolarHBondContact O-N 3.4Å; L36-E40 VanDerWaalsContact O-N 3.09Å; W38-E40 PolarHBondContact O-N 3.22Å; E40-L44 HydrophobicContact CG-CD2 4.38Å; E40-P48 HydrophobicContact CG-CB 4.26Å; E40-P48 HydrophobicContact CG-CG 4.28Å; E40-P48 WeakPolarHBondContact OE1-CB 3.41Å; E40-L52 HydrophobicContact CB-CD1 3.83Å; E40-L52 HydrophobicContact CG-CD1 3.93Å
41	K	95.4	Very high	95.7	Very high	154 Å²	154	60.1 Å²	60.1	67%	0.67	29%	0.285	S	S	*	.	H	α-helix	trans	-80.3	-25.6	-174.3	-71.5	176	-178.5	176.3	0	114.3	V37 W38 L39	V37-K41 HydrophobicContact CG1-CD 4.22Å; V37-K41 WeakPolarHBondContact O-CG 3.49Å; V37-K41 PolarHBondContact O-N 2.98Å; W38-K41 PolarHBondContact O-N 3.49Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 2.91Å
42	N	96.8	Very high	95.5	Very high	84 Å²	84	55.7 Å²	55.7	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-118.6	-38	-166.9	-64.6	-87.5	0	0	0	113.8	W38 L39	W38-N42 HydrophobicContact CD2-CB 4.25Å; W38-N42 HydrophobicContact CE3-CB 4.36Å; W38-N42 HydrophobicContact CH2-CB 4.05Å; W38-N42 HydrophobicContact CZ2-CB 3.93Å; W38-N42 HydrophobicContact CZ3-CB 4.27Å; W38-N42 PolarHBondContact NE1-ND2 2.98Å; W38-N42 WeakPolarHBondContact O-CB 3.29Å; W38-N42 PolarHBondContact O-N 3.25Å; W38-N42 PolarHBondContact O-ND2 3.25Å; L39-N42 PolarHBondContact O-N 2.94Å
43	L	96.8	Very high	95.2	Very high	28 Å²	28	61.6 Å²	61.6	15%	0.147	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-33.9	-172.7	-61.4	-168.5	0	0	0	113.2	F15 Y21 V23 W38 L39 Q45	F15-L43 HydrophobicContact CD1-CB 3.83Å; F15-L43 HydrophobicContact CE1-CB 4.14Å; Y21-L43 HydrophobicContact CD1-CD1 3.9Å; Y21-L43 HydrophobicContact CD1-CD2 4.36Å; Y21-L43 HydrophobicContact CD2-CD1 4.49Å; Y21-L43 HydrophobicContact CE1-CD1 4.15Å; Y21-L43 HydrophobicContact CE1-CD2 4.2Å; Y21-L43 HydrophobicContact CG-CD1 4.07Å; V23-L43 HydrophobicContact CG1-CD1 4.18Å; W38-L43 HydrophobicContact CH2-CD1 4.46Å; W38-L43 HydrophobicContact CH2-CD2 4.46Å; W38-L43 HydrophobicContact CH2-CG 4.23Å; W38-L43 HydrophobicContact CZ3-CD1 3.89Å; W38-L43 HydrophobicContact CZ3-CG 3.83Å; L39-L43 HydrophobicContact CD2-CB 4.31Å; L39-L43 HydrophobicContact CD2-CD1 3.68Å; L39-L43 HydrophobicContact CD2-CG 4.23Å; L39-L43 PolarHBondContact O-N 3.34Å; L43-Q45 PolarHBondContact O-N 2.89Å; L43-Q45 PolarHBondContact O-NE2 3.13Å
44	L	95.6	Very high	94.8	Very high	16 Å²	16	64.4 Å²	64.4	8%	0.084	33%	0.326	C	S	.	.			trans	-63.5	126.6	-178.7	-169.2	70.8	0	0	0	110.4	L14 F15 L39 E40 P48 F51	L14-L44 HydrophobicContact CB-CD1 3.7Å; F15-L44 HydrophobicContact CD1-CD1 4.36Å; F15-L44 HydrophobicContact CE1-CB 3.93Å; F15-L44 HydrophobicContact CE1-CD1 3.78Å; F15-L44 HydrophobicContact CE1-CG 4.48Å; F15-L44 HydrophobicContact CE2-CD1 3.94Å; F15-L44 HydrophobicContact CZ-CB 4.44Å; F15-L44 HydrophobicContact CZ-CD1 3.54Å; L39-L44 PolarHBondContact O-N 3.32Å; E40-L44 HydrophobicContact CG-CD2 4.38Å; L44-P48 HydrophobicContact CD2-CB 4.31Å; L44-P48 HydrophobicContact CD2-CG 4.36Å; L44-F51 HydrophobicContact CD1-CB 3.9Å; L44-F51 HydrophobicContact CD1-CD1 4.45Å; L44-F51 HydrophobicContact CD1-CG 4.22Å; L44-F51 HydrophobicContact CD2-CB 4.19Å
45	Q	95.8	Very high	94.1	Very high	125 Å²	125	70.6 Å²	70.6	58%	0.584	35%	0.35	S	S	*	.			trans	-107.8	-19.9	-179.2	-62.6	-57.8	-61.9	0	0	112.9	L14 N16 L43	L14-Q45 PolarHBondContact O-N 3.25Å; N16-Q45 HydrophobicContact CB-CG 4.24Å; L43-Q45 PolarHBondContact O-N 2.89Å; L43-Q45 PolarHBondContact O-NE2 3.13Å
46	E	94.1	Very high	93.7	Very high	104 Å²	104	72 Å²	72	49%	0.486	36%	0.36	S	S	.	.	S	Bend	trans	-98.7	-180	178.9	-69.5	-61.4	154.7	0	0	111.5	L14 L50	L14-E46 HydrophobicContact CB-CB 4.35Å; L14-E46 HydrophobicContact CD2-CB 3.81Å; L14-E46 HydrophobicContact CD2-CG 4.11Å; E46-L50 HydrophobicContact CB-CD1 4.39Å
47	R	92.2	Very high	93.6	Very high	166 Å²	166	72.3 Å²	72.3	63%	0.626	36%	0.362	S	S	*	.			trans	-60.5	128.5	-177.8	-59.5	-172.3	-174.3	165.4	0.7	111.7	E49 L50	R47-E49 HydrophobicContact CB-CG 4.36Å; R47-E49 WeakPolarHBondContact CB-OE1 3.33Å; R47-E49 VanDerWaalsContact CD-OE1 3.23Å; R47-E49 WeakPolarHBondContact CD-OE1 3.4Å; R47-E49 PolarHBondContact O-N 2.83Å; R47-E49 VanDerWaalsContact O-N 3.13Å; R47-L50 HydrophobicContact CB-CD1 4.32Å; R47-L50 HydrophobicContact CB-CG 4.29Å; R47-L50 WeakPolarHBondContact O-CB 3.29Å; R47-L50 PolarHBondContact O-N 3.06Å
48	P	92.4	Very high	93.5	Very high	50 Å²	50	73.5 Å²	73.5	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-49.2	-40.1	-179.7	-31.3	36.9	0	0	0	114.7	E40 L44 L50 F51 L52	E40-P48 HydrophobicContact CG-CB 4.26Å; E40-P48 HydrophobicContact CG-CG 4.28Å; E40-P48 WeakPolarHBondContact OE1-CB 3.41Å; L44-P48 HydrophobicContact CD2-CB 4.31Å; L44-P48 HydrophobicContact CD2-CG 4.36Å; P48-L50 PolarHBondContact O-N 3.27Å; P48-L50 VanDerWaalsContact O-N 3.09Å; P48-F51 PolarHBondContact O-N 2.81Å; P48-L52 PolarHBondContact O-N 2.88Å
49	E	92.6	Very high	93.2	Very high	111 Å²	111	75.4 Å²	75.4	52%	0.519	38%	0.377	S	S	.	.	H	α-helix	trans	-65	-13.3	-178.6	64.6	-91	-158.6	0	0	114.8	R47 L52	R47-E49 HydrophobicContact CB-CG 4.36Å; R47-E49 WeakPolarHBondContact CB-OE1 3.33Å; R47-E49 VanDerWaalsContact CD-OE1 3.23Å; R47-E49 WeakPolarHBondContact CD-OE1 3.4Å; R47-E49 PolarHBondContact O-N 2.83Å; R47-E49 VanDerWaalsContact O-N 3.13Å; E49-L52 WeakPolarHBondContact CA-O 3.44Å
50	L	92.4	Very high	92.9	Very high	56 Å²	56	76.8 Å²	76.8	29%	0.293	39%	0.392	S	S	.	.	H	α-helix	trans	-78.3	-27.4	172.9	-61.9	178.1	0	0	0	112	L14 E46 R47 P48	L14-L50 HydrophobicContact CD1-CB 4.19Å; L14-L50 HydrophobicContact CD2-CB 3.88Å; L14-L50 HydrophobicContact CD2-CD1 3.94Å; E46-L50 HydrophobicContact CB-CD1 4.39Å; R47-L50 HydrophobicContact CB-CD1 4.32Å; R47-L50 HydrophobicContact CB-CG 4.29Å; R47-L50 WeakPolarHBondContact O-CB 3.29Å; R47-L50 PolarHBondContact O-N 3.06Å; P48-L50 PolarHBondContact O-N 3.27Å; P48-L50 VanDerWaalsContact O-N 3.09Å
51	F	94.7	Very high	92.9	Very high	0 Å²	0	74 Å²	74	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-104.1	-40.4	-178.9	-173.4	-118.4	0	0	0	112.7	F7 L14 F15 L36 L39 L44 P48 V57 R58 I61 F88	F7-F51 HydrophobicContact CE1-CE2 4.21Å; F7-F51 HydrophobicContact CE1-CZ 4.19Å; L14-F51 HydrophobicContact CD1-CB 3.89Å; L14-F51 HydrophobicContact CD1-CD2 4.17Å; L14-F51 HydrophobicContact CD1-CG 4.47Å; F15-F51 AromaticContact CE2-CD2 3.84Å; F15-F51 HydrophobicContact CE2-CD2 3.84Å; F15-F51 AromaticContact CE2-CE2 3.81Å; F15-F51 HydrophobicContact CE2-CE2 3.81Å; F15-F51 HydrophobicContact CE2-CG 4.29Å; F15-F51 HydrophobicContact CE2-CZ 4.22Å; F15-F51 AromaticContact CZ-CD1 3.97Å; F15-F51 HydrophobicContact CZ-CD1 3.97Å; F15-F51 AromaticContact CZ-CD2 3.98Å; F15-F51 HydrophobicContact CZ-CD2 3.98Å; F15-F51 AromaticContact CZ-CE1 3.87Å; F15-F51 HydrophobicContact CZ-CE1 3.87Å; F15-F51 AromaticContact CZ-CE2 3.87Å; F15-F51 HydrophobicContact CZ-CE2 3.87Å; F15-F51 HydrophobicContact CZ-CG 4.04Å; F15-F51 AromaticContact CZ-CZ 3.82Å; F15-F51 HydrophobicContact CZ-CZ 3.82Å; L36-F51 HydrophobicContact CD2-CE1 4.47Å; L39-F51 HydrophobicContact CB-CE1 4.49Å; L39-F51 HydrophobicContact CD1-CE1 4.36Å; L39-F51 HydrophobicContact CD1-CZ 4.36Å; L44-F51 HydrophobicContact CD1-CB 3.9Å; L44-F51 HydrophobicContact CD1-CD1 4.45Å; L44-F51 HydrophobicContact CD1-CG 4.22Å; L44-F51 HydrophobicContact CD2-CB 4.19Å; P48-F51 PolarHBondContact O-N 2.81Å; F51-V57 HydrophobicContact CE1-CG1 4.44Å; F51-V57 HydrophobicContact CE2-CG1 4.42Å; F51-V57 HydrophobicContact CZ-CG1 4.12Å; F51-V57 CarbonylContact O-C 3.54Å; F51-V57 WeakPolarHBondContact O-CA 3.48Å; F51-R58 PolarHBondContact O-N 2.98Å; F51-I61 HydrophobicContact CD2-CD1 3.73Å; F51-I61 HydrophobicContact CE2-CD1 4.19Å; F51-F88 HydrophobicContact CE2-CB 4.47Å; F51-F88 AromaticContact CE2-CD1 3.91Å; F51-F88 HydrophobicContact CE2-CD1 3.91Å; F51-F88 HydrophobicContact CE2-CE1 4.43Å; F51-F88 HydrophobicContact CE2-CG 4.24Å; F51-F88 AromaticContact CZ-CD1 3.67Å; F51-F88 HydrophobicContact CZ-CD1 3.67Å; F51-F88 AromaticContact CZ-CE1 3.74Å; F51-F88 HydrophobicContact CZ-CE1 3.74Å; F51-F88 HydrophobicContact CZ-CG 4.16Å; F51-F88 HydrophobicContact CZ-CZ 4.3Å
52	L	94.5	Very high	92.9	Very high	20 Å²	20	70.7 Å²	70.7	11%	0.105	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.9	-173	-61.5	178.9	0	0	0	112.4	L36 E40 P48 E49 S56 V57	L36-L52 HydrophobicContact CB-CD2 4.17Å; E40-L52 HydrophobicContact CB-CD1 3.83Å; E40-L52 HydrophobicContact CG-CD1 3.93Å; P48-L52 PolarHBondContact O-N 2.88Å; E49-L52 WeakPolarHBondContact CA-O 3.44Å; L52-S56 CarbonylContact C-O 3.58Å; L52-S56 WeakPolarHBondContact CA-O 3.38Å; L52-V57 HydrophobicContact CD2-CG1 4.44Å
53	Q	91.4	Very high	93	Very high	125 Å²	125	66.7 Å²	66.7	58%	0.584	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	104.7	164.3	-171.6	177.6	34.5	0	0	109.4	K55 S56	Q53-K55 PolarHBondContact O-N 2.81Å; Q53-K55 VanDerWaalsContact O-N 3.13Å; Q53-S56 PolarHBondContact N-O 3.13Å; Q53-S56 PolarHBondContact O-N 2.84Å
54	G	87.7	Confident	93.1	Very high	74 Å²	74	67.1 Å²	67.1	76%	0.763	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-108.5	-176.4	0	0	0	0	0	111.5
55	K	84	Confident	93.2	Very high	189 Å²	189	66.4 Å²	66.4	82%	0.822	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	6.8	-179.7	-63.7	-174.3	178.6	-177.7	0	113.6	Q53 N76	Q53-K55 PolarHBondContact O-N 2.81Å; Q53-K55 VanDerWaalsContact O-N 3.13Å; K55-N76 PolarHBondContact O-ND2 2.73Å
56	S	89.7	Confident	93.3	Very high	29 Å²	29	63.8 Å²	63.8	20%	0.203	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	174.8	178.7	-162	0	0	0	0	110.2	L52 Q53	L52-S56 CarbonylContact C-O 3.58Å; L52-S56 WeakPolarHBondContact CA-O 3.38Å; Q53-S56 PolarHBondContact N-O 3.13Å; Q53-S56 PolarHBondContact O-N 2.84Å
57	V	93.4	Very high	93.5	Very high	9 Å²	9	64.5 Å²	64.5	6%	0.055	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	154.4	170.6	-65.9	0	0	0	0	111.2	L36 F51 L52 I61 I63 F88	L36-V57 HydrophobicContact CD1-CG1 4.17Å; L36-V57 HydrophobicContact CD2-CG1 3.76Å; F51-V57 HydrophobicContact CE1-CG1 4.44Å; F51-V57 HydrophobicContact CE2-CG1 4.42Å; F51-V57 HydrophobicContact CZ-CG1 4.12Å; F51-V57 CarbonylContact O-C 3.54Å; F51-V57 WeakPolarHBondContact O-CA 3.48Å; L52-V57 HydrophobicContact CD2-CG1 4.44Å; V57-I61 HydrophobicContact CB-CB 4.09Å; V57-I61 HydrophobicContact CB-CG2 4.18Å; V57-I61 HydrophobicContact CG1-CG2 4.41Å; V57-I61 HydrophobicContact CG2-CB 4.14Å; V57-I61 HydrophobicContact CG2-CG2 4.29Å; V57-I63 HydrophobicContact CB-CD1 4.42Å; V57-I63 HydrophobicContact CG1-CD1 3.75Å; V57-I63 HydrophobicContact CG1-CG1 4.35Å; V57-I63 HydrophobicContact CG2-CD1 3.78Å; V57-I63 HydrophobicContact CG2-CG1 4.04Å; V57-F88 HydrophobicContact CG1-CD1 4.19Å; V57-F88 HydrophobicContact CG1-CE1 4Å
58	R	93.7	Very high	93.8	Very high	90 Å²	90	59.5 Å²	59.5	34%	0.34	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-61.1	140.6	177	-170.9	178.2	176.1	-145.1	-2.7	110.5	F51 G60 I61	F51-R58 PolarHBondContact O-N 2.98Å; R58-G60 PolarHBondContact O-N 2.81Å; R58-I61 HydrophobicContact CB-CD1 4.25Å; R58-I61 WeakPolarHBondContact O-CB 3.3Å; R58-I61 PolarHBondContact O-N 3.09Å
59	P	90.5	Very high	94.1	Very high	83 Å²	83	59.8 Å²	59.8	54%	0.539	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	131.8	171.2	-27.6	34.2	0	0	0	110.7	L92	P59-L92 VanDerWaalsContact O-CD1 3.22Å; P59-L92 WeakPolarHBondContact O-CD1 3.22Å
60	G	92.4	Very high	94.3	Very high	30 Å²	30	56.1 Å²	56.1	31%	0.309	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-0.7	-171.8	0	0	0	0	0	114.4	R58 S91	R58-G60 PolarHBondContact O-N 2.81Å; G60-S91 PolarHBondContact O-N 3.33Å; G60-S91 PolarHBondContact O-OG 2.96Å
61	I	95.2	Very high	94.4	Very high	10 Å²	10	56.2 Å²	56.2	5%	0.051	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.7	163.9	-58.3	178.3	0	0	0	108.3	F51 V57 R58 F88 I89	F51-I61 HydrophobicContact CD2-CD1 3.73Å; F51-I61 HydrophobicContact CE2-CD1 4.19Å; V57-I61 HydrophobicContact CB-CB 4.09Å; V57-I61 HydrophobicContact CB-CG2 4.18Å; V57-I61 HydrophobicContact CG1-CG2 4.41Å; V57-I61 HydrophobicContact CG2-CB 4.14Å; V57-I61 HydrophobicContact CG2-CG2 4.29Å; R58-I61 HydrophobicContact CB-CD1 4.25Å; R58-I61 WeakPolarHBondContact O-CB 3.3Å; R58-I61 PolarHBondContact O-N 3.09Å; I61-F88 HydrophobicContact CG2-CB 4.34Å; I61-F88 HydrophobicContact CG2-CD1 4.27Å; I61-I89 CarbonylContact C-O 3.49Å; I61-I89 WeakPolarHBondContact CA-O 3.32Å
62	L	95.7	Very high	94.6	Very high	85 Å²	85	62.9 Å²	62.9	45%	0.445	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.6	173.4	-112.7	146.2	0	0	0	109.3	L64 F88 I89	L62-L64 HydrophobicContact CD2-CD2 4.4Å; L62-F88 WeakPolarHBondContact O-CA 3.49Å; L62-I89 HydrophobicContact CB-CB 4.31Å; L62-I89 PolarHBondContact N-O 2.85Å; L62-I89 PolarHBondContact O-N 2.65Å
63	I	97.6	Very high	94.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.4	174	-50.4	178.2	0	0	0	108.8	L32 L36 V57 I65 Y70 V86 I87 F88	L32-I63 HydrophobicContact CD1-CG2 4.48Å; L32-I63 HydrophobicContact CD2-CD1 4.15Å; L32-I63 HydrophobicContact CD2-CG2 4.38Å; L36-I63 HydrophobicContact CD2-CD1 4.42Å; V57-I63 HydrophobicContact CB-CD1 4.42Å; V57-I63 HydrophobicContact CG1-CD1 3.75Å; V57-I63 HydrophobicContact CG1-CG1 4.35Å; V57-I63 HydrophobicContact CG2-CD1 3.78Å; V57-I63 HydrophobicContact CG2-CG1 4.04Å; I63-I65 HydrophobicContact CG2-CG1 4.49Å; I63-Y70 HydrophobicContact CB-CD1 3.87Å; I63-Y70 HydrophobicContact CB-CD2 4.03Å; I63-Y70 HydrophobicContact CB-CE1 4.31Å; I63-Y70 HydrophobicContact CB-CE2 4.45Å; I63-Y70 HydrophobicContact CB-CG 3.74Å; I63-Y70 HydrophobicContact CD1-CD2 3.96Å; I63-Y70 HydrophobicContact CD1-CE2 3.85Å; I63-Y70 HydrophobicContact CG1-CD2 4.43Å; I63-Y70 HydrophobicContact CG1-CE2 4.41Å; I63-Y70 HydrophobicContact CG2-CG 4.31Å; I63-Y70 VanDerWaalsContact O-CD1 3.32Å; I63-Y70 WeakPolarHBondContact O-CD1 3.36Å; I63-Y70 PolarHBondContact O-N 3.14Å; I63-Y70 VanDerWaalsContact O-N 3.14Å; I63-V86 HydrophobicContact CG2-CG1 3.95Å; I63-I87 CarbonylContact C-O 3.58Å; I63-I87 VanDerWaalsContact CA-O 3.29Å; I63-I87 WeakPolarHBondContact CA-O 3.2Å; I63-F88 HydrophobicContact CD1-CD1 4.15Å; I63-F88 HydrophobicContact CD1-CE1 3.67Å; I63-F88 HydrophobicContact CG1-CD1 3.8Å; I63-F88 HydrophobicContact CG1-CE1 3.81Å; I63-F88 HydrophobicContact CG2-CE1 4.28Å
64	L	98.5	Very high	95	Very high	37 Å²	37	60.7 Å²	60.7	19%	0.194	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.6	169.1	-52.9	178	0	0	0	109.5	L62 V68 D69 V86 I87 I89	L62-L64 HydrophobicContact CD2-CD2 4.4Å; L64-V68 CarbonylContact C-O 3.52Å; L64-V68 VanDerWaalsContact CA-O 3.31Å; L64-V68 WeakPolarHBondContact CA-O 3.32Å; L64-D69 HydrophobicContact CD2-CB 4.34Å; L64-V86 CarbonylContact O-C 3.55Å; L64-V86 WeakPolarHBondContact O-CA 3.27Å; L64-I87 HydrophobicContact CB-CB 4.22Å; L64-I87 PolarHBondContact N-O 3.38Å; L64-I87 PolarHBondContact O-N 3.13Å; L64-I89 HydrophobicContact CD1-CD1 4.02Å
65	I	98.6	Very high	95.4	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.9	170.9	-52.2	178.6	0	0	0	107.3	L32 I63 D67 V68 L73 Y78 D84 K85	L32-I65 HydrophobicContact CD1-CD1 4.26Å; L32-I65 HydrophobicContact CD2-CD1 4.29Å; I63-I65 HydrophobicContact CG2-CG1 4.49Å; I65-D67 VanDerWaalsContact C-N 3.26Å; I65-D67 PolarHBondContact O-N 2.94Å; I65-V68 PolarHBondContact N-O 3.24Å; I65-V68 WeakPolarHBondContact O-CB 3.46Å; I65-V68 PolarHBondContact O-N 3.27Å; I65-L73 HydrophobicContact CB-CD1 3.8Å; I65-L73 HydrophobicContact CD1-CD1 4.29Å; I65-L73 HydrophobicContact CG1-CD1 4.39Å; I65-L73 HydrophobicContact CG2-CD1 4.5Å; I65-Y78 HydrophobicContact CD1-CD1 3.38Å; I65-Y78 HydrophobicContact CD1-CD2 4.35Å; I65-Y78 HydrophobicContact CD1-CE1 3.78Å; I65-Y78 HydrophobicContact CD1-CG 3.69Å; I65-Y78 HydrophobicContact CG2-CD1 4.46Å; I65-Y78 HydrophobicContact CG2-CE1 3.76Å; I65-D84 HydrophobicContact CG2-CB 4.38Å; I65-K85 CarbonylContact C-O 3.58Å; I65-K85 WeakPolarHBondContact CA-O 3.43Å
66	N	98.4	Very high	96	Very high	71 Å²	71	54.3 Å²	54.3	38%	0.38	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	49.4	-173	-57	-44.1	0	0	0	111.8	V68 D84 K85	N66-V68 PolarHBondContact O-N 2.99Å; N66-V68 VanDerWaalsContact O-N 3.15Å; N66-D84 PolarHBondContact ND2-OD1 3.31Å; N66-K85 PolarHBondContact N-O 2.9Å; N66-K85 PolarHBondContact OD1-N 3.11Å
67	D	98.2	Very high	96.3	Very high	118 Å²	118	58.6 Å²	58.6	63%	0.631	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	13.3	-178.7	-52.1	-42.1	0	0	0	115.5	I65	I65-D67 VanDerWaalsContact C-N 3.26Å; I65-D67 PolarHBondContact O-N 2.94Å
68	V	98.4	Very high	96.6	Very high	61 Å²	61	59.5 Å²	59.5	37%	0.37	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.7	174.8	-178.9	0	0	0	0	110.3	L64 I65 N66 Y70 L73	L64-V68 CarbonylContact C-O 3.52Å; L64-V68 VanDerWaalsContact CA-O 3.31Å; L64-V68 WeakPolarHBondContact CA-O 3.32Å; I65-V68 PolarHBondContact N-O 3.24Å; I65-V68 WeakPolarHBondContact O-CB 3.46Å; I65-V68 PolarHBondContact O-N 3.27Å; N66-V68 PolarHBondContact O-N 2.99Å; N66-V68 VanDerWaalsContact O-N 3.15Å; V68-Y70 PolarHBondContact O-N 2.84Å; V68-L73 HydrophobicContact CB-CD1 4.09Å; V68-L73 HydrophobicContact CG1-CD1 4.03Å; V68-L73 HydrophobicContact CG1-CD2 4.04Å; V68-L73 HydrophobicContact CG1-CG 3.97Å
69	D	97.5	Very high	96.8	Very high	57 Å²	57	59.3 Å²	59.3	31%	0.305	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	122.5	175	-169	-42.3	0	0	0	110.8	L64 S71 L72	L64-D69 HydrophobicContact CD2-CB 4.34Å; D69-S71 PolarHBondContact O-N 3.33Å; D69-S71 VanDerWaalsContact O-N 3.11Å; D69-S71 VanDerWaalsContact OD1-CB 3.3Å; D69-S71 WeakPolarHBondContact OD1-CB 3.29Å; D69-S71 PolarHBondContact OD1-N 2.82Å; D69-S71 PolarHBondContact OD1-OG 2.9Å; D69-L72 WeakPolarHBondContact O-CB 3.44Å; D69-L72 PolarHBondContact O-N 2.86Å
70	Y	97.3	Very high	97.2	Very high	33 Å²	33	55.5 Å²	55.5	13%	0.129	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.4	-22.9	-177.4	83.4	-49.5	0	0	0	113.9	L32 I63 V68 L72 L73 G74 E75	L32-Y70 HydrophobicContact CD2-CD2 3.55Å; L32-Y70 HydrophobicContact CD2-CE2 4.34Å; L32-Y70 HydrophobicContact CD2-CG 4.4Å; I63-Y70 HydrophobicContact CB-CD1 3.87Å; I63-Y70 HydrophobicContact CB-CD2 4.03Å; I63-Y70 HydrophobicContact CB-CE1 4.31Å; I63-Y70 HydrophobicContact CB-CE2 4.45Å; I63-Y70 HydrophobicContact CB-CG 3.74Å; I63-Y70 HydrophobicContact CD1-CD2 3.96Å; I63-Y70 HydrophobicContact CD1-CE2 3.85Å; I63-Y70 HydrophobicContact CG1-CD2 4.43Å; I63-Y70 HydrophobicContact CG1-CE2 4.41Å; I63-Y70 HydrophobicContact CG2-CG 4.31Å; I63-Y70 VanDerWaalsContact O-CD1 3.32Å; I63-Y70 WeakPolarHBondContact O-CD1 3.36Å; I63-Y70 PolarHBondContact O-N 3.14Å; I63-Y70 VanDerWaalsContact O-N 3.14Å; V68-Y70 PolarHBondContact O-N 2.84Å; Y70-L72 PolarHBondContact O-N 3.02Å; Y70-L73 WeakPolarHBondContact O-CA 3.37Å; Y70-L73 PolarHBondContact O-N 3.15Å; Y70-G74 PolarHBondContact O-N 2.83Å; Y70-E75 HydrophobicContact CD2-CB 3.89Å; Y70-E75 HydrophobicContact CD2-CG 4.13Å; Y70-E75 HydrophobicContact CE2-CB 3.8Å; Y70-E75 HydrophobicContact CE2-CG 3.96Å; Y70-E75 WeakPolarHBondContact O-CA 3.31Å; Y70-E75 PolarHBondContact O-N 2.89Å
71	S	95.8	Very high	97.5	Very high	58 Å²	58	60 Å²	60	41%	0.406	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63.1	-25.2	174.9	63.4	0	0	0	0	112.7	D69 L73	D69-S71 PolarHBondContact O-N 3.33Å; D69-S71 VanDerWaalsContact O-N 3.11Å; D69-S71 VanDerWaalsContact OD1-CB 3.3Å; D69-S71 WeakPolarHBondContact OD1-CB 3.29Å; D69-S71 PolarHBondContact OD1-N 2.82Å; D69-S71 PolarHBondContact OD1-OG 2.9Å; S71-L73 VanDerWaalsContact C-N 3.33Å
72	L	97.9	Very high	97.6	Very high	140 Å²	140	64.9 Å²	64.9	73%	0.733	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-84.7	-9.1	173.9	-57.3	178.5	0	0	0	113	D69 Y70	D69-L72 WeakPolarHBondContact O-CB 3.44Å; D69-L72 PolarHBondContact O-N 2.86Å; Y70-L72 PolarHBondContact O-N 3.02Å
73	L	97.7	Very high	97.7	Very high	58 Å²	58	66 Å²	66	30%	0.304	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	2.8	-171.6	-60.7	-180	0	0	0	113.6	I65 V68 Y70 S71 Y78	I65-L73 HydrophobicContact CB-CD1 3.8Å; I65-L73 HydrophobicContact CD1-CD1 4.29Å; I65-L73 HydrophobicContact CG1-CD1 4.39Å; I65-L73 HydrophobicContact CG2-CD1 4.5Å; V68-L73 HydrophobicContact CB-CD1 4.09Å; V68-L73 HydrophobicContact CG1-CD1 4.03Å; V68-L73 HydrophobicContact CG1-CD2 4.04Å; V68-L73 HydrophobicContact CG1-CG 3.97Å; Y70-L73 WeakPolarHBondContact O-CA 3.37Å; Y70-L73 PolarHBondContact O-N 3.15Å; S71-L73 VanDerWaalsContact C-N 3.33Å; L73-Y78 HydrophobicContact CB-CD2 3.66Å; L73-Y78 HydrophobicContact CB-CE2 4.09Å; L73-Y78 HydrophobicContact CB-CG 4.44Å; L73-Y78 HydrophobicContact CD1-CD2 4.33Å; L73-Y78 HydrophobicContact CD1-CE2 4.07Å; L73-Y78 HydrophobicContact CG-CE2 4.48Å; L73-Y78 WeakPolarHBondContact O-CD2 3.21Å
74	G	96.5	Very high	97.7	Very high	42 Å²	42	66.4 Å²	66.4	43%	0.433	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	15	-177.6	0	0	0	0	0	114.3	Y70 N76 D77	Y70-G74 PolarHBondContact O-N 2.83Å; G74-N76 PolarHBondContact O-N 2.84Å; G74-D77 PolarHBondContact O-N 2.78Å
75	E	96.3	Very high	97.8	Very high	90 Å²	90	67.9 Å²	67.9	42%	0.421	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	52.1	-121.7	172.1	-58.1	176.1	-176.4	0	0	112.8	L32 Y70 D77 Y78	L32-E75 VanDerWaalsContact CD2-O 3.27Å; L32-E75 WeakPolarHBondContact CD2-O 3.5Å; Y70-E75 HydrophobicContact CD2-CB 3.89Å; Y70-E75 HydrophobicContact CD2-CG 4.13Å; Y70-E75 HydrophobicContact CE2-CB 3.8Å; Y70-E75 HydrophobicContact CE2-CG 3.96Å; Y70-E75 WeakPolarHBondContact O-CA 3.31Å; Y70-E75 PolarHBondContact O-N 2.89Å; E75-D77 PolarHBondContact O-N 3Å; E75-Y78 WeakPolarHBondContact O-CB 3.49Å; E75-Y78 PolarHBondContact O-N 3.1Å; E75-Y78 VanDerWaalsContact O-N 3.17Å
76	N	96.1	Very high	97.8	Very high	38 Å²	38	67.8 Å²	67.8	20%	0.203	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-62.8	-21.4	-179	-72.6	-14.4	0	0	0	113.6	R31 G33 K55 G74	R31-N76 WeakPolarHBondContact CB-O 3.46Å; G33-N76 PolarHBondContact N-O 2.8Å; K55-N76 PolarHBondContact O-ND2 2.73Å; G74-N76 PolarHBondContact O-N 2.84Å
77	D	97.5	Very high	97.8	Very high	119 Å²	119	64.8 Å²	64.8	64%	0.636	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-89.2	-4.5	-179.6	-70.8	-46.2	0	0	0	113.5	G74 E75 I79	G74-D77 PolarHBondContact O-N 2.78Å; E75-D77 PolarHBondContact O-N 3Å; D77-I79 PolarHBondContact O-N 2.99Å
78	Y	98.3	Very high	97.7	Very high	29 Å²	29	59.2 Å²	59.2	11%	0.114	31%	0.309	C	S	.	.			trans	-56.2	129.2	175.1	-179	-97.1	0	0	0	111.1	R31 L32 I65 L73 E75 L80 D84	R31-Y78 CarbonylContact C-O 3.54Å; R31-Y78 WeakPolarHBondContact CA-O 3.09Å; L32-Y78 PolarHBondContact N-O 3.4Å; I65-Y78 HydrophobicContact CD1-CD1 3.38Å; I65-Y78 HydrophobicContact CD1-CD2 4.35Å; I65-Y78 HydrophobicContact CD1-CE1 3.78Å; I65-Y78 HydrophobicContact CD1-CG 3.69Å; I65-Y78 HydrophobicContact CG2-CD1 4.46Å; I65-Y78 HydrophobicContact CG2-CE1 3.76Å; L73-Y78 HydrophobicContact CB-CD2 3.66Å; L73-Y78 HydrophobicContact CB-CE2 4.09Å; L73-Y78 HydrophobicContact CB-CG 4.44Å; L73-Y78 HydrophobicContact CD1-CD2 4.33Å; L73-Y78 HydrophobicContact CD1-CE2 4.07Å; L73-Y78 HydrophobicContact CG-CE2 4.48Å; L73-Y78 WeakPolarHBondContact O-CD2 3.21Å; E75-Y78 WeakPolarHBondContact O-CB 3.49Å; E75-Y78 PolarHBondContact O-N 3.1Å; E75-Y78 VanDerWaalsContact O-N 3.17Å; Y78-L80 HydrophobicContact CD1-CD2 4.22Å; Y78-L80 HydrophobicContact CE1-CD2 4.41Å; Y78-D84 WeakPolarHBondContact CE1-OD2 3.08Å; Y78-D84 PolarHBondContact OH-OD2 3Å
79	I	98.5	Very high	97.7	Very high	85 Å²	85	59.1 Å²	59.1	44%	0.436	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-86.1	113.9	176.9	-56.8	-69.3	0	0	0	108.6	V30 R31 D77	V30-I79 HydrophobicContact CG1-CD1 4.05Å; V30-I79 HydrophobicContact CG1-CG2 4.29Å; R31-I79 HydrophobicContact CG-CD1 3.76Å; D77-I79 PolarHBondContact O-N 2.99Å
80	L	98.5	Very high	97.5	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.293	C	S	.	.			trans	-64.3	146.4	179.1	-62.2	163	0	0	0	110.6	M1 L3 V29 V30 R31 L32 L35 Y78 V86	M1-L80 HydrophobicContact CE-CB 4.22Å; M1-L80 VanDerWaalsContact CE-O 3.22Å; M1-L80 WeakPolarHBondContact CE-O 3.39Å; M1-L80 HydrophobicContact SD-CB 3.67Å; L3-L80 HydrophobicContact CD1-CD1 4.16Å; L3-L80 HydrophobicContact CD1-CD2 4Å; L3-L80 HydrophobicContact CD1-CG 4.45Å; V29-L80 HydrophobicContact CG1-CD1 4.09Å; V30-L80 PolarHBondContact O-N 2.97Å; R31-L80 WeakPolarHBondContact O-CD1 3.48Å; L32-L80 HydrophobicContact CD1-CD2 4.38Å; L35-L80 HydrophobicContact CB-CD1 3.82Å; L35-L80 HydrophobicContact CD2-CD1 4.26Å; L35-L80 HydrophobicContact CD2-CD2 4.33Å; Y78-L80 HydrophobicContact CD1-CD2 4.22Å; Y78-L80 HydrophobicContact CE1-CD2 4.41Å; L80-V86 HydrophobicContact CD2-CG2 4.24Å
81	K	98.2	Very high	96.9	Very high	124 Å²	124	59.6 Å²	59.6	54%	0.539	32%	0.318	S	S	.	.			trans	-123.5	154.3	178.9	-58.8	175.7	-174.9	171.3	0	110.4	M1 L3 M83 D84	M1-K81 VanDerWaalsContact SD-C 3.52Å; L3-K81 WeakPolarHBondContact CD2-O 3.36Å; K81-M83 PolarHBondContact O-N 3.36Å; K81-D84 WeakPolarHBondContact CB-OD2 3.17Å; K81-D84 PolarHBondContact N-OD2 2.84Å; K81-D84 WeakPolarHBondContact O-CB 3.46Å; K81-D84 PolarHBondContact O-N 2.78Å
82	E	98.1	Very high	95.6	Very high	113 Å²	113	61 Å²	61	53%	0.528	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	130.9	173.8	-167	65	-159.2	0	0	110.1	M1 R2 D84	M1-E82 WeakPolarHBondContact CA-OE2 3.49Å; M1-E82 WeakPolarHBondContact CB-OE2 3.48Å; M1-E82 HydrophobicContact CG-CB 4.43Å; M1-E82 WeakPolarHBondContact CG-OE2 3.22Å; R2-E82 VanDerWaalsContact CB-OE1 3.23Å; R2-E82 WeakPolarHBondContact CB-OE1 3.38Å; R2-E82 VanDerWaalsContact N-CD 3.25Å; R2-E82 PolarHBondContact N-OE1 3.23Å; R2-E82 PolarHBondContact N-OE2 3.04Å; E82-D84 VanDerWaalsContact C-N 3.29Å; E82-D84 PolarHBondContact O-N 2.99Å
83	M	97.7	Very high	94	Very high	107 Å²	107	56.6 Å²	56.6	53%	0.527	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	15.2	-176.8	-52	-64	-59.9	0	0	115.9	R2 K81 K85	R2-M83 HydrophobicContact CB-SD 4.48Å; R2-M83 HydrophobicContact CG-SD 4.46Å; R2-M83 WeakPolarHBondContact O-CA 3.23Å; R2-M83 PolarHBondContact O-N 2.87Å; K81-M83 PolarHBondContact O-N 3.36Å; M83-K85 PolarHBondContact O-N 3.01Å
84	D	98.7	Very high	91.7	Very high	9 Å²	9	57.4 Å²	57.4	5%	0.048	32%	0.319	C	S	.	.			trans	-60.3	137.7	170.5	-80.3	-21.8	0	0	0	110.6	L3 D4 I65 N66 Y78 K81 E82	L3-D84 HydrophobicContact CD2-CB 3.79Å; D4-D84 PolarHBondContact N-O 3.1Å; I65-D84 HydrophobicContact CG2-CB 4.38Å; N66-D84 PolarHBondContact ND2-OD1 3.31Å; Y78-D84 WeakPolarHBondContact CE1-OD2 3.08Å; Y78-D84 PolarHBondContact OH-OD2 3Å; K81-D84 WeakPolarHBondContact CB-OD2 3.17Å; K81-D84 PolarHBondContact N-OD2 2.84Å; K81-D84 WeakPolarHBondContact O-CB 3.46Å; K81-D84 PolarHBondContact O-N 2.78Å; E82-D84 VanDerWaalsContact C-N 3.29Å; E82-D84 PolarHBondContact O-N 2.99Å
85	K	98.8	Very high	89.1	Confident	68 Å²	68	62.5 Å²	62.5	30%	0.296	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.3	168.2	-170.8	-177.2	-176.6	-166.5	0	109.5	D4 E6 I65 N66 M83 I87	D4-K85 HydrophobicContact CB-CG 4.39Å; D4-K85 CarbonylContact O-C 3.57Å; D4-K85 VanDerWaalsContact O-CA 3.29Å; D4-K85 WeakPolarHBondContact O-CA 3.5Å; E6-K85 WeakPolarHBondContact OE2-CE 3.22Å; E6-K85 IonicContact OE2-NZ 3.37Å; E6-K85 PolarHBondContact OE2-NZ 3.02Å; I65-K85 CarbonylContact C-O 3.58Å; I65-K85 WeakPolarHBondContact CA-O 3.43Å; N66-K85 PolarHBondContact N-O 2.9Å; N66-K85 PolarHBondContact OD1-N 3.11Å; M83-K85 PolarHBondContact O-N 3.01Å; K85-I87 HydrophobicContact CD-CD1 4.04Å; K85-I87 HydrophobicContact CD-CG1 4.2Å; K85-I87 HydrophobicContact CG-CD1 4.46Å; K85-I87 HydrophobicContact CG-CG1 4.09Å
86	V	98.7	Very high	88.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.5	177.1	-173.2	0	0	0	0	109.6	L3 D4 I5 E6 L32 L35 I63 L64 L80 F88	L3-V86 HydrophobicContact CD1-CG2 4.32Å; D4-V86 PolarHBondContact O-N 3.15Å; I5-V86 CarbonylContact C-O 3.58Å; I5-V86 WeakPolarHBondContact CA-O 3.37Å; E6-V86 PolarHBondContact N-O 2.82Å; L32-V86 HydrophobicContact CD1-CG1 4.13Å; L35-V86 HydrophobicContact CD2-CG1 4.35Å; L35-V86 HydrophobicContact CD2-CG2 4.22Å; I63-V86 HydrophobicContact CG2-CG1 3.95Å; L64-V86 CarbonylContact O-C 3.55Å; L64-V86 WeakPolarHBondContact O-CA 3.27Å; L80-V86 HydrophobicContact CD2-CG2 4.24Å; V86-F88 HydrophobicContact CB-CE2 4.48Å; V86-F88 HydrophobicContact CG1-CD2 4.36Å; V86-F88 HydrophobicContact CG1-CE2 3.61Å; V86-F88 HydrophobicContact CG1-CZ 3.82Å
87	I	98.5	Very high	88.4	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.041	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.8	-176.2	-47.6	178.4	0	0	0	109.3	E6 I63 L64 K85 I89	E6-I87 HydrophobicContact CB-CB 4.41Å; E6-I87 HydrophobicContact CB-CG1 4.15Å; E6-I87 HydrophobicContact CB-CG2 4.11Å; E6-I87 HydrophobicContact CG-CG2 4.34Å; E6-I87 CarbonylContact O-C 3.44Å; E6-I87 WeakPolarHBondContact O-CA 3.5Å; I63-I87 CarbonylContact C-O 3.58Å; I63-I87 VanDerWaalsContact CA-O 3.29Å; I63-I87 WeakPolarHBondContact CA-O 3.2Å; L64-I87 HydrophobicContact CB-CB 4.22Å; L64-I87 PolarHBondContact N-O 3.38Å; L64-I87 PolarHBondContact O-N 3.13Å; K85-I87 HydrophobicContact CD-CD1 4.04Å; K85-I87 HydrophobicContact CD-CG1 4.2Å; K85-I87 HydrophobicContact CG-CD1 4.46Å; K85-I87 HydrophobicContact CG-CG1 4.09Å; I87-I89 HydrophobicContact CG2-CD1 4.24Å; I87-I89 HydrophobicContact CG2-CG1 3.8Å
88	F	97.9	Very high	87.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.6	172.7	-62.7	-90.4	0	0	0	109.7	I5 E6 F7 S8 L36 L39 F51 V57 I61 L62 I63 V86	I5-F88 HydrophobicContact CG2-CD2 4.11Å; I5-F88 HydrophobicContact CG2-CE2 3.96Å; E6-F88 PolarHBondContact O-N 2.93Å; F7-F88 WeakPolarHBondContact CA-O 3.38Å; F7-F88 HydrophobicContact CD1-CB 3.69Å; F7-F88 AromaticContact CD1-CD2 3.92Å; F7-F88 HydrophobicContact CD1-CD2 3.92Å; F7-F88 HydrophobicContact CD1-CG 4.06Å; F7-F88 HydrophobicContact CE1-CB 4.01Å; F7-F88 AromaticContact CE1-CD2 3.47Å; F7-F88 HydrophobicContact CE1-CD2 3.47Å; F7-F88 VanDerWaalsContact CE1-CD2 3.47Å; F7-F88 HydrophobicContact CE1-CE2 4.13Å; F7-F88 AromaticContact CE1-CG 3.85Å; F7-F88 HydrophobicContact CE1-CG 3.85Å; F7-F88 HydrophobicContact CZ-CD2 4.16Å; S8-F88 PolarHBondContact N-O 3.12Å; L36-F88 HydrophobicContact CD2-CE1 3.63Å; L36-F88 HydrophobicContact CD2-CZ 3.87Å; L39-F88 HydrophobicContact CD1-CE2 3.69Å; L39-F88 HydrophobicContact CD1-CZ 3.6Å; F51-F88 HydrophobicContact CE2-CB 4.47Å; F51-F88 AromaticContact CE2-CD1 3.91Å; F51-F88 HydrophobicContact CE2-CD1 3.91Å; F51-F88 HydrophobicContact CE2-CE1 4.43Å; F51-F88 HydrophobicContact CE2-CG 4.24Å; F51-F88 AromaticContact CZ-CD1 3.67Å; F51-F88 HydrophobicContact CZ-CD1 3.67Å; F51-F88 AromaticContact CZ-CE1 3.74Å; F51-F88 HydrophobicContact CZ-CE1 3.74Å; F51-F88 HydrophobicContact CZ-CG 4.16Å; F51-F88 HydrophobicContact CZ-CZ 4.3Å; V57-F88 HydrophobicContact CG1-CD1 4.19Å; V57-F88 HydrophobicContact CG1-CE1 4Å; I61-F88 HydrophobicContact CG2-CB 4.34Å; I61-F88 HydrophobicContact CG2-CD1 4.27Å; L62-F88 WeakPolarHBondContact O-CA 3.49Å; I63-F88 HydrophobicContact CD1-CD1 4.15Å; I63-F88 HydrophobicContact CD1-CE1 3.67Å; I63-F88 HydrophobicContact CG1-CD1 3.8Å; I63-F88 HydrophobicContact CG1-CE1 3.81Å; I63-F88 HydrophobicContact CG2-CE1 4.28Å; V86-F88 HydrophobicContact CB-CE2 4.48Å; V86-F88 HydrophobicContact CG1-CD2 4.36Å; V86-F88 HydrophobicContact CG1-CE2 3.61Å; V86-F88 HydrophobicContact CG1-CZ 3.82Å
89	I	96.6	Very high	87.2	Confident	60 Å²	60	61 Å²	61	31%	0.308	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.6	-178.7	-46.1	-177.4	0	0	0	108.6	S8 I61 L62 L64 I87	S8-I89 WeakPolarHBondContact OG-CG1 3.17Å; I61-I89 CarbonylContact C-O 3.49Å; I61-I89 WeakPolarHBondContact CA-O 3.32Å; L62-I89 HydrophobicContact CB-CB 4.31Å; L62-I89 PolarHBondContact N-O 2.85Å; L62-I89 PolarHBondContact O-N 2.65Å; L64-I89 HydrophobicContact CD1-CD1 4.02Å; I87-I89 HydrophobicContact CG2-CD1 4.24Å; I87-I89 HydrophobicContact CG2-CG1 3.8Å
90	S	94.4	Very high	86.5	Confident	5 Å²	5	59.5 Å²	59.5	4%	0.035	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.2	173.2	147.9	0	0	0	0	110.4	S8 G9 L92 H93	S8-S90 PolarHBondContact O-N 2.97Å; G9-S90 CarbonylContact C-O 3.57Å; G9-S90 VanDerWaalsContact CA-O 3.22Å; G9-S90 WeakPolarHBondContact CA-O 3.21Å; G9-S90 CarbonylContact O-C 3.36Å; G9-S90 VanDerWaalsContact O-CB 3.27Å; G9-S90 WeakPolarHBondContact O-CB 3.41Å; G9-S90 PolarHBondContact O-OG 3.24Å; S90-L92 PolarHBondContact OG-N 3.46Å; S90-H93 PolarHBondContact OG-N 2.93Å; S90-H93 VanDerWaalsContact OG-N 3.12Å; S90-H93 PolarHBondContact OG-ND1 3.2Å
91	S	83.4	Confident	85.7	Confident	94 Å²	94	63.2 Å²	63.2	66%	0.657	40%	0.398	S	S	*	.	S	Bend	trans	-93.5	0.1	167.6	73.6	0	0	0	0	112.8	G60	G60-S91 PolarHBondContact O-N 3.33Å; G60-S91 PolarHBondContact O-OG 2.96Å
92	L	70.2	Confident	84.8	Confident	87 Å²	87	58.9 Å²	58.9	46%	0.455	39%	0.388	S	S	.	.	S	Bend	trans	-104.8	-24.9	-168.6	-68.7	178.1	0	0	0	114.4	P59 S90	P59-L92 VanDerWaalsContact O-CD1 3.22Å; P59-L92 WeakPolarHBondContact O-CD1 3.22Å; S90-L92 PolarHBondContact OG-N 3.46Å
93	H	63	Low	83.8	Confident	48 Å²	48	54.7 Å²	54.7	22%	0.222	38%	0.378	C	S	.	.			trans	-107.2	13.7	-170.8	-56.7	92.7	0	0	0	113.3	S90 G95	S90-H93 PolarHBondContact OG-N 2.93Å; S90-H93 VanDerWaalsContact OG-N 3.12Å; S90-H93 PolarHBondContact OG-ND1 3.2Å; H93-G95 PolarHBondContact O-N 3.18Å
94	G	49.6	Very low	82.7	Confident	76 Å²	76	50.3 Å²	50.3	78%	0.784	37%	0.365	S	S	*	.			trans	-83.6	84.1	172.6	0	0	0	0	0	111.1
95	G	42.3	Very low	81.2	Confident	149 Å²	149	54.1 Å²	54.1	100%	1.536	39%	0.394	S	S	*	.			trans	-131.5	0	172.7	0	0	0	0	0	111.1	H93	H93-G95 PolarHBondContact O-N 3.18Å

Retrieved 95 of 95 residues in 37.5 ms (Link to these results)

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