A0A087YP67_POEFO Loading...

Ubiquitin-related modifier 1

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 MOCS3. 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 A0A087YP67, Species POEFO (Poecilia formosa, Amazon molly), Gene URM1, Length 101 aa.

						>A0A087YP67_POEFO|A0A087YP67|URM1
MAAPVAVHLEFGGGAELLFDGVKEHHVTLPSQSEPWDMKQLLVWIQRNLLKERPELFVQGDTVRPGILVLINDADWELMGELDYQLLDQDNIVFISTLHGG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.4	Low	90.2	Very high	217 Å²	217	48.5 Å²	48.5	100%	1.069	29%	0.287	S	S	*	.				0	123.2	0	-68.6	-177.4	172.7	0	0	106.3	Q32	M1-Q32 CarbonylContact C-O 3.56Å; M1-Q32 WeakPolarHBondContact CA-O 3.32Å
2	A	77.4	Confident	90.7	Very high	22 Å²	22	45.3 Å²	45.3	18%	0.182	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-69.4	140.7	171.5	0	0	0	0	0	109	S31 Q32	A2-S31 WeakPolarHBondContact O-CB 3.47Å; A2-Q32 PolarHBondContact N-O 3.31Å
3	A	80.2	Confident	90.9	Very high	70 Å²	70	44.8 Å²	44.8	58%	0.579	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-66	161.6	173.9	0	0	0	0	0	110.4
4	P	87.2	Confident	91.1	Very high	69 Å²	69	42.9 Å²	42.9	45%	0.448	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-56.6	142.1	166.3	-13.6	26.6	0	0	0	109.5	T28 L29 S31	P4-T28 HydrophobicContact CB-CG2 3.78Å; P4-L29 VanDerWaalsContact CA-O 3.3Å; P4-L29 WeakPolarHBondContact CA-O 3.45Å; P4-L29 WeakPolarHBondContact CB-O 3.47Å; P4-S31 WeakPolarHBondContact CD-OG 3.48Å; P4-S31 VanDerWaalsContact CG-OG 3.28Å; P4-S31 WeakPolarHBondContact CG-OG 3.46Å
5	V	94.6	Very high	91.4	Very high	17 Å²	17	40.1 Å²	40.1	10%	0.103	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122	179.1	-174.8	0	0	0	0	107.7	V7 L29 L86 L87	V5-V7 HydrophobicContact CG1-CG1 3.89Å; V5-L29 PolarHBondContact N-O 3.4Å; V5-L29 PolarHBondContact O-N 2.85Å; V5-L86 HydrophobicContact CG1-CB 4.41Å; V5-L87 WeakPolarHBondContact CG1-O 3.5Å
6	A	97	Very high	91.6	Very high	36 Å²	36	39.4 Å²	39.4	30%	0.298	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.8	171.2	0	0	0	0	0	109.1	V27 D88 Q89	A6-V27 WeakPolarHBondContact CA-O 3.39Å; A6-D88 WeakPolarHBondContact CB-OD1 3.31Å; A6-D88 PolarHBondContact N-OD1 3.2Å; A6-Q89 WeakPolarHBondContact O-CA 3.5Å; A6-Q89 PolarHBondContact O-N 3.12Å
7	V	98.1	Very high	91.8	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.3	176.5	-61.5	0	0	0	0	110.3	V5 L9 V27 L29 L86 D90	V5-V7 HydrophobicContact CG1-CG1 3.89Å; V7-L9 HydrophobicContact CG2-CD2 3.96Å; V7-L9 HydrophobicContact CG2-CG 4.29Å; V7-V27 HydrophobicContact CG2-CG2 3.51Å; V7-V27 PolarHBondContact N-O 3.07Å; V7-V27 PolarHBondContact O-N 2.82Å; V7-L29 HydrophobicContact CG1-CD1 4.39Å; V7-L29 HydrophobicContact CG2-CD1 4.13Å; V7-L29 HydrophobicContact CG2-CG 4.33Å; V7-L86 HydrophobicContact CG1-CD1 4.42Å; V7-D90 HydrophobicContact CG1-CB 4.34Å
8	H	98.5	Very high	92	Very high	34 Å²	34	42.4 Å²	42.4	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.1	170.8	-172.2	-133.6	0	0	0	108.9	E24 H26 D90 N91 I92	H8-E24 IonicContact NE2-OE2 2.78Å; H8-H26 AromaticContact CD2-CD2 3.39Å; H8-H26 PolarHBondContact CD2-CD2 3.34Å; H8-H26 AromaticContact CD2-CE1 3.4Å; H8-H26 PolarHBondContact CD2-CE1 3.2Å; H8-H26 VanDerWaalsContact CD2-CE1 3.4Å; H8-H26 AromaticContact CD2-CG 3.83Å; H8-H26 AromaticContact CD2-ND1 3.83Å; H8-H26 AromaticContact CD2-NE2 3.15Å; H8-H26 PolarHBondContact CD2-NE2 3.39Å; H8-H26 AromaticContact CG-CD2 3.97Å; H8-H26 AromaticContact CG-NE2 3.72Å; H8-H26 AromaticContact NE2-CE1 3.47Å; H8-H26 PolarHBondContact NE2-CE1 3.47Å; H8-H26 AromaticContact NE2-NE2 3.59Å; H8-D90 PolarHBondContact N-O 3.4Å; H8-N91 PolarHBondContact ND1-OD1 2.85Å; H8-I92 PolarHBondContact O-N 2.9Å
9	L	98.5	Very high	92.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.2	177.1	-51.8	177.1	0	0	0	108.9	V7 F11 E24 H25 V27 L41 I45 L49 I92 F94	V7-L9 HydrophobicContact CG2-CD2 3.96Å; V7-L9 HydrophobicContact CG2-CG 4.29Å; L9-F11 HydrophobicContact CB-CE2 4.04Å; L9-F11 HydrophobicContact CB-CZ 4.23Å; L9-F11 HydrophobicContact CD1-CZ 4.48Å; L9-E24 CarbonylContact O-C 3.51Å; L9-E24 WeakPolarHBondContact O-CA 3.43Å; L9-H25 HydrophobicContact CB-CB 4.28Å; L9-H25 PolarHBondContact N-O 3.26Å; L9-H25 PolarHBondContact O-N 2.92Å; L9-V27 HydrophobicContact CD1-CG2 3.88Å; L9-V27 HydrophobicContact CG-CG2 4.18Å; L9-L41 HydrophobicContact CD2-CD1 4.32Å; L9-L41 HydrophobicContact CD2-CD2 4.06Å; L9-I45 HydrophobicContact CD1-CD1 3.82Å; L9-I45 HydrophobicContact CD1-CG1 3.84Å; L9-I45 HydrophobicContact CD2-CD1 4.36Å; L9-L49 HydrophobicContact CD1-CD1 3.68Å; L9-I92 CarbonylContact C-O 3.6Å; L9-I92 WeakPolarHBondContact CA-O 3.43Å; L9-I92 HydrophobicContact CD2-CB 3.85Å; L9-I92 HydrophobicContact CD2-CG1 4.13Å; L9-F94 HydrophobicContact CD2-CE2 4.49Å
10	E	98.4	Very high	92.4	Very high	65 Å²	65	44.2 Å²	44.2	30%	0.304	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.8	173.9	-172.4	-179	154.3	0	0	110.4	K23 I92 V93 F94	E10-K23 CarbonylContact C-O 3.51Å; E10-K23 VanDerWaalsContact CA-O 3.28Å; E10-K23 WeakPolarHBondContact CA-O 3.18Å; E10-I92 PolarHBondContact N-O 3.3Å; E10-V93 HydrophobicContact CB-CB 4.41Å; E10-V93 HydrophobicContact CB-CG1 4.08Å; E10-V93 HydrophobicContact CB-CG2 4.13Å; E10-V93 HydrophobicContact CG-CG1 4.29Å; E10-V93 CarbonylContact O-C 3.33Å; E10-V93 WeakPolarHBondContact O-CA 3.31Å; E10-F94 PolarHBondContact O-N 2.84Å
11	F	97.9	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.8	174.9	-56.6	-81	0	0	0	109.6	L9 A15 E16 F19 K23 H25 I45 F57 F94	L9-F11 HydrophobicContact CB-CE2 4.04Å; L9-F11 HydrophobicContact CB-CZ 4.23Å; L9-F11 HydrophobicContact CD1-CZ 4.48Å; F11-A15 HydrophobicContact CB-CB 4.19Å; F11-E16 HydrophobicContact CB-CB 4.16Å; F11-F19 HydrophobicContact CB-CD2 4.09Å; F11-F19 HydrophobicContact CB-CE2 4.48Å; F11-F19 AromaticContact CD1-CD2 3.52Å; F11-F19 HydrophobicContact CD1-CD2 3.52Å; F11-F19 AromaticContact CD1-CE2 3.18Å; F11-F19 HydrophobicContact CD1-CE2 3.18Å; F11-F19 HydrophobicContact CD1-CG 4.43Å; F11-F19 AromaticContact CD1-CZ 3.84Å; F11-F19 HydrophobicContact CD1-CZ 3.84Å; F11-F19 HydrophobicContact CD2-CB 4.37Å; F11-F19 AromaticContact CD2-CD2 3.75Å; F11-F19 HydrophobicContact CD2-CD2 3.75Å; F11-F19 HydrophobicContact CD2-CE2 4.21Å; F11-F19 HydrophobicContact CD2-CG 4.01Å; F11-F19 AromaticContact CE1-CD2 3.81Å; F11-F19 HydrophobicContact CE1-CD2 3.81Å; F11-F19 HydrophobicContact CE1-CE1 4.02Å; F11-F19 AromaticContact CE1-CE2 3.24Å; F11-F19 HydrophobicContact CE1-CE2 3.24Å; F11-F19 HydrophobicContact CE1-CG 4.42Å; F11-F19 AromaticContact CE1-CZ 3.35Å; F11-F19 HydrophobicContact CE1-CZ 3.35Å; F11-F19 HydrophobicContact CE2-CD1 4.19Å; F11-F19 HydrophobicContact CE2-CD2 4.02Å; F11-F19 HydrophobicContact CE2-CE1 4.39Å; F11-F19 HydrophobicContact CE2-CE2 4.25Å; F11-F19 AromaticContact CE2-CG 4Å; F11-F19 HydrophobicContact CE2-CG 4Å; F11-F19 HydrophobicContact CE2-CZ 4.42Å; F11-F19 AromaticContact CG-CD2 3.49Å; F11-F19 HydrophobicContact CG-CD2 3.49Å; F11-F19 VanDerWaalsContact CG-CD2 3.49Å; F11-F19 AromaticContact CG-CE2 3.71Å; F11-F19 HydrophobicContact CG-CE2 3.71Å; F11-F19 HydrophobicContact CG-CG 4.23Å; F11-F19 HydrophobicContact CZ-CD1 4.12Å; F11-F19 HydrophobicContact CZ-CD2 4.05Å; F11-F19 AromaticContact CZ-CE1 3.85Å; F11-F19 HydrophobicContact CZ-CE1 3.85Å; F11-F19 AromaticContact CZ-CE2 3.81Å; F11-F19 HydrophobicContact CZ-CE2 3.81Å; F11-F19 HydrophobicContact CZ-CG 4.21Å; F11-F19 AromaticContact CZ-CZ 3.69Å; F11-F19 HydrophobicContact CZ-CZ 3.69Å; F11-K23 PolarHBondContact N-O 2.78Å; F11-H25 AromaticContact CD2-CD2 3.57Å; F11-H25 AromaticContact CD2-NE2 3.87Å; F11-H25 AromaticContact CE2-CD2 3.52Å; F11-H25 AromaticContact CE2-NE2 3.96Å; F11-I45 HydrophobicContact CE1-CG2 4.47Å; F11-I45 HydrophobicContact CZ-CD1 4.47Å; F11-I45 HydrophobicContact CZ-CG2 4.15Å; F11-F57 HydrophobicContact CD1-CE2 4.14Å; F11-F57 HydrophobicContact CD1-CZ 4.44Å; F11-F57 AromaticContact CE1-CE2 3.92Å; F11-F57 HydrophobicContact CE1-CE2 3.92Å; F11-F57 AromaticContact CE1-CZ 3.78Å; F11-F57 HydrophobicContact CE1-CZ 3.78Å; F11-F94 WeakPolarHBondContact CA-O 3.42Å; F11-F94 HydrophobicContact CD1-CB 3.81Å; F11-F94 AromaticContact CD1-CD2 3.86Å; F11-F94 HydrophobicContact CD1-CD2 3.86Å; F11-F94 HydrophobicContact CD1-CG 4.12Å; F11-F94 HydrophobicContact CE1-CB 4.21Å; F11-F94 AromaticContact CE1-CD2 3.48Å; F11-F94 HydrophobicContact CE1-CD2 3.48Å; F11-F94 VanDerWaalsContact CE1-CD2 3.48Å; F11-F94 HydrophobicContact CE1-CE2 4.09Å; F11-F94 HydrophobicContact CE1-CG 4Å; F11-F94 HydrophobicContact CZ-CD2 4.23Å
12	G	96	Very high	94	Very high	11 Å²	11	36.8 Å²	36.8	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	174.8	-178.2	0	0	0	0	0	113.5	G14 A15 E16 F94 I95 S96	G12-G14 VanDerWaalsContact C-N 3.28Å; G12-G14 PolarHBondContact O-N 3.32Å; G12-A15 VanDerWaalsContact O-CB 3.23Å; G12-A15 WeakPolarHBondContact O-CB 3.26Å; G12-A15 PolarHBondContact O-N 2.74Å; G12-A15 VanDerWaalsContact O-N 3.17Å; G12-E16 WeakPolarHBondContact CA-OE2 3.49Å; G12-F94 PolarHBondContact N-O 3.15Å; G12-I95 WeakPolarHBondContact O-CA 3.16Å; G12-S96 PolarHBondContact O-N 3.47Å
13	G	93.9	Very high	94.9	Very high	39 Å²	39	41.3 Å²	41.3	40%	0.402	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	29.1	179.7	0	0	0	0	0	113.7	A15 S96	G13-A15 VanDerWaalsContact C-N 3.31Å; G13-S96 CarbonylContact C-O 3.58Å; G13-S96 VanDerWaalsContact CA-O 3.31Å; G13-S96 WeakPolarHBondContact CA-O 3.33Å; G13-S96 VanDerWaalsContact O-CB 3.27Å; G13-S96 WeakPolarHBondContact O-CB 3.17Å; G13-S96 PolarHBondContact O-OG 3.4Å; G13-S96 VanDerWaalsContact O-OG 3.06Å
14	G	93.7	Very high	95.8	Very high	17 Å²	17	43.5 Å²	43.5	18%	0.175	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-6.1	-175.8	0	0	0	0	0	113.6	G12 E16 L17	G12-G14 VanDerWaalsContact C-N 3.28Å; G12-G14 PolarHBondContact O-N 3.32Å; G14-E16 VanDerWaalsContact C-OE2 3.24Å; G14-E16 WeakPolarHBondContact CA-OE2 3.28Å; G14-E16 PolarHBondContact N-OE2 3.16Å; G14-E16 PolarHBondContact O-N 3.38Å; G14-L17 WeakPolarHBondContact O-CB 3.31Å; G14-L17 PolarHBondContact O-N 3.34Å
15	A	94.7	Very high	96.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-63.7	-30.5	174.4	0	0	0	0	0	111.7	F11 G12 G13 L17 L18 F19	F11-A15 HydrophobicContact CB-CB 4.19Å; G12-A15 VanDerWaalsContact O-CB 3.23Å; G12-A15 WeakPolarHBondContact O-CB 3.26Å; G12-A15 PolarHBondContact O-N 2.74Å; G12-A15 VanDerWaalsContact O-N 3.17Å; G13-A15 VanDerWaalsContact C-N 3.31Å; A15-L17 PolarHBondContact O-N 3.27Å; A15-L17 VanDerWaalsContact O-N 3.12Å; A15-L18 WeakPolarHBondContact O-CB 3.21Å; A15-L18 WeakPolarHBondContact O-CG 3.39Å; A15-L18 PolarHBondContact O-N 3.25Å; A15-F19 VanDerWaalsContact O-CD2 3.23Å; A15-F19 WeakPolarHBondContact O-CD2 3.22Å
16	E	95.5	Very high	96.4	Very high	29 Å²	29	47.9 Å²	47.9	14%	0.136	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.4	-27.5	177.8	63	-91.2	-136.9	0	0	113.1	F11 G12 G14 L18 F19 G21 K23	F11-E16 HydrophobicContact CB-CB 4.16Å; G12-E16 WeakPolarHBondContact CA-OE2 3.49Å; G14-E16 VanDerWaalsContact C-OE2 3.24Å; G14-E16 WeakPolarHBondContact CA-OE2 3.28Å; G14-E16 PolarHBondContact N-OE2 3.16Å; G14-E16 PolarHBondContact O-N 3.38Å; E16-L18 PolarHBondContact O-N 3.47Å; E16-F19 CarbonylContact O-C 3.49Å; E16-F19 WeakPolarHBondContact O-CA 3.36Å; E16-F19 PolarHBondContact O-N 3.07Å; E16-G21 WeakPolarHBondContact O-CA 3.45Å; E16-G21 PolarHBondContact O-N 2.96Å; E16-K23 HydrophobicContact CB-CG 3.98Å; E16-K23 HydrophobicContact CG-CG 4.09Å; E16-K23 VanDerWaalsContact OE1-CE 3.25Å; E16-K23 WeakPolarHBondContact OE1-CE 3.35Å; E16-K23 IonicContact OE1-NZ 3.94Å
17	L	94.9	Very high	96.4	Very high	120 Å²	120	47 Å²	47	63%	0.628	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-64.1	-24.9	178.1	-60.8	176.3	0	0	0	112.3	G14 A15 F19	G14-L17 WeakPolarHBondContact O-CB 3.31Å; G14-L17 PolarHBondContact O-N 3.34Å; A15-L17 PolarHBondContact O-N 3.27Å; A15-L17 VanDerWaalsContact O-N 3.12Å; L17-F19 PolarHBondContact O-N 2.94Å
18	L	95.3	Very high	96.4	Very high	14 Å²	14	51.5 Å²	51.5	7%	0.073	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-74.8	-10.4	175.1	-50.9	178.7	0	0	0	112.4	A15 E16 L50 K51 E52 L56 F57	A15-L18 WeakPolarHBondContact O-CB 3.21Å; A15-L18 WeakPolarHBondContact O-CG 3.39Å; A15-L18 PolarHBondContact O-N 3.25Å; E16-L18 PolarHBondContact O-N 3.47Å; L18-L50 HydrophobicContact CB-CD1 3.72Å; L18-K51 PolarHBondContact O-N 3.06Å; L18-E52 HydrophobicContact CB-CB 4.33Å; L18-E52 HydrophobicContact CD2-CB 3.73Å; L18-E52 HydrophobicContact CD2-CG 4.09Å; L18-L56 HydrophobicContact CD1-CB 4.11Å; L18-L56 HydrophobicContact CD2-CB 3.91Å; L18-L56 HydrophobicContact CD2-CD1 3.87Å; L18-F57 HydrophobicContact CD1-CB 3.89Å; L18-F57 HydrophobicContact CD1-CD2 4.25Å
19	F	96.5	Very high	96.2	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-128.6	48.1	-173	-55.1	-80.4	0	0	0	111.2	F11 A15 E16 L17 G21 V22 I45 L49 L50 F57	F11-F19 HydrophobicContact CB-CD2 4.09Å; F11-F19 HydrophobicContact CB-CE2 4.48Å; F11-F19 AromaticContact CD1-CD2 3.52Å; F11-F19 HydrophobicContact CD1-CD2 3.52Å; F11-F19 AromaticContact CD1-CE2 3.18Å; F11-F19 HydrophobicContact CD1-CE2 3.18Å; F11-F19 HydrophobicContact CD1-CG 4.43Å; F11-F19 AromaticContact CD1-CZ 3.84Å; F11-F19 HydrophobicContact CD1-CZ 3.84Å; F11-F19 HydrophobicContact CD2-CB 4.37Å; F11-F19 AromaticContact CD2-CD2 3.75Å; F11-F19 HydrophobicContact CD2-CD2 3.75Å; F11-F19 HydrophobicContact CD2-CE2 4.21Å; F11-F19 HydrophobicContact CD2-CG 4.01Å; F11-F19 AromaticContact CE1-CD2 3.81Å; F11-F19 HydrophobicContact CE1-CD2 3.81Å; F11-F19 HydrophobicContact CE1-CE1 4.02Å; F11-F19 AromaticContact CE1-CE2 3.24Å; F11-F19 HydrophobicContact CE1-CE2 3.24Å; F11-F19 HydrophobicContact CE1-CG 4.42Å; F11-F19 AromaticContact CE1-CZ 3.35Å; F11-F19 HydrophobicContact CE1-CZ 3.35Å; F11-F19 HydrophobicContact CE2-CD1 4.19Å; F11-F19 HydrophobicContact CE2-CD2 4.02Å; F11-F19 HydrophobicContact CE2-CE1 4.39Å; F11-F19 HydrophobicContact CE2-CE2 4.25Å; F11-F19 AromaticContact CE2-CG 4Å; F11-F19 HydrophobicContact CE2-CG 4Å; F11-F19 HydrophobicContact CE2-CZ 4.42Å; F11-F19 AromaticContact CG-CD2 3.49Å; F11-F19 HydrophobicContact CG-CD2 3.49Å; F11-F19 VanDerWaalsContact CG-CD2 3.49Å; F11-F19 AromaticContact CG-CE2 3.71Å; F11-F19 HydrophobicContact CG-CE2 3.71Å; F11-F19 HydrophobicContact CG-CG 4.23Å; F11-F19 HydrophobicContact CZ-CD1 4.12Å; F11-F19 HydrophobicContact CZ-CD2 4.05Å; F11-F19 AromaticContact CZ-CE1 3.85Å; F11-F19 HydrophobicContact CZ-CE1 3.85Å; F11-F19 AromaticContact CZ-CE2 3.81Å; F11-F19 HydrophobicContact CZ-CE2 3.81Å; F11-F19 HydrophobicContact CZ-CG 4.21Å; F11-F19 AromaticContact CZ-CZ 3.69Å; F11-F19 HydrophobicContact CZ-CZ 3.69Å; A15-F19 VanDerWaalsContact O-CD2 3.23Å; A15-F19 WeakPolarHBondContact O-CD2 3.22Å; E16-F19 CarbonylContact O-C 3.49Å; E16-F19 WeakPolarHBondContact O-CA 3.36Å; E16-F19 PolarHBondContact O-N 3.07Å; L17-F19 PolarHBondContact O-N 2.94Å; F19-G21 PolarHBondContact O-N 3.42Å; F19-V22 WeakPolarHBondContact O-CB 3.37Å; F19-V22 PolarHBondContact O-N 3.39Å; F19-V22 VanDerWaalsContact O-N 3.1Å; F19-I45 HydrophobicContact CE1-CG2 3.47Å; F19-I45 VanDerWaalsContact CE1-CG2 3.47Å; F19-I45 HydrophobicContact CZ-CG2 3.78Å; F19-L49 HydrophobicContact CD1-CB 3.82Å; F19-L49 HydrophobicContact CE1-CB 4.09Å; F19-L50 HydrophobicContact CD1-CD1 4.25Å; F19-L50 HydrophobicContact CE1-CB 3.96Å; F19-L50 HydrophobicContact CE1-CD1 3.56Å; F19-L50 HydrophobicContact CE1-CG 4.38Å; F19-L50 HydrophobicContact CE2-CD1 4.2Å; F19-L50 HydrophobicContact CZ-CD1 3.53Å; F19-F57 AromaticContact CE2-CD2 3.96Å; F19-F57 HydrophobicContact CE2-CD2 3.96Å; F19-F57 AromaticContact CE2-CE2 3.97Å; F19-F57 HydrophobicContact CE2-CE2 3.97Å; F19-F57 HydrophobicContact CE2-CG 4.43Å; F19-F57 HydrophobicContact CE2-CZ 4.46Å; F19-F57 HydrophobicContact CZ-CD1 4.01Å; F19-F57 AromaticContact CZ-CD2 3.88Å; F19-F57 HydrophobicContact CZ-CD2 3.88Å; F19-F57 HydrophobicContact CZ-CE1 4.03Å; F19-F57 AromaticContact CZ-CE2 3.89Å; F19-F57 HydrophobicContact CZ-CE2 3.89Å; F19-F57 AromaticContact CZ-CG 3.96Å; F19-F57 HydrophobicContact CZ-CG 3.96Å; F19-F57 AromaticContact CZ-CZ 3.98Å; F19-F57 HydrophobicContact CZ-CZ 3.98Å
20	D	95.1	Very high	96	Very high	119 Å²	119	53.3 Å²	53.3	64%	0.636	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	18.2	-178.1	-71.3	-36.8	0	0	0	115.2	V22 K51	D20-V22 HydrophobicContact CB-CG2 4.34Å; D20-V22 PolarHBondContact O-N 3.16Å; D20-K51 WeakPolarHBondContact OD1-CG 3.39Å; D20-K51 WeakPolarHBondContact OD2-CE 3.4Å; D20-K51 WeakPolarHBondContact OD2-CG 3.5Å
21	G	94.9	Very high	95.7	Very high	40 Å²	40	53.6 Å²	53.6	41%	0.412	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	11.1	-174.2	0	0	0	0	0	113.5	E16 F19	E16-G21 WeakPolarHBondContact O-CA 3.45Å; E16-G21 PolarHBondContact O-N 2.96Å; F19-G21 PolarHBondContact O-N 3.42Å
22	V	96.1	Very high	95.3	Very high	66 Å²	66	56.1 Å²	56.1	40%	0.4	32%	0.323	S	S	.	.			trans	-88.9	120.3	178.2	-178.3	0	0	0	0	109.1	F19 D20 E24 H25	F19-V22 WeakPolarHBondContact O-CB 3.37Å; F19-V22 PolarHBondContact O-N 3.39Å; F19-V22 VanDerWaalsContact O-N 3.1Å; D20-V22 HydrophobicContact CB-CG2 4.34Å; D20-V22 PolarHBondContact O-N 3.16Å; V22-E24 WeakPolarHBondContact CG1-O 3.23Å; V22-H25 PolarHBondContact O-NE2 2.84Å
23	K	96.4	Very high	95	Very high	117 Å²	117	60.5 Å²	60.5	51%	0.509	35%	0.351	S	S	.	.			trans	-75.6	-49.2	-178.8	-66.4	-174.2	173.3	-168.5	0	112.6	E10 F11 E16	E10-K23 CarbonylContact C-O 3.51Å; E10-K23 VanDerWaalsContact CA-O 3.28Å; E10-K23 WeakPolarHBondContact CA-O 3.18Å; F11-K23 PolarHBondContact N-O 2.78Å; E16-K23 HydrophobicContact CB-CG 3.98Å; E16-K23 HydrophobicContact CG-CG 4.09Å; E16-K23 VanDerWaalsContact OE1-CE 3.25Å; E16-K23 WeakPolarHBondContact OE1-CE 3.35Å; E16-K23 IonicContact OE1-NZ 3.94Å
24	E	97.9	Very high	94.9	Very high	115 Å²	115	64.6 Å²	64.6	54%	0.537	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.6	-172.7	-69.5	176.1	-163.4	0	0	111.1	H8 L9 V22	H8-E24 IonicContact NE2-OE2 2.78Å; L9-E24 CarbonylContact O-C 3.51Å; L9-E24 WeakPolarHBondContact O-CA 3.43Å; V22-E24 WeakPolarHBondContact CG1-O 3.23Å
25	H	98.1	Very high	94.9	Very high	31 Å²	31	66.9 Å²	66.9	14%	0.144	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	116.7	175.6	-60.6	-107.6	0	0	0	109.5	L9 F11 V22 V27 L49	L9-H25 HydrophobicContact CB-CB 4.28Å; L9-H25 PolarHBondContact N-O 3.26Å; L9-H25 PolarHBondContact O-N 2.92Å; F11-H25 AromaticContact CD2-CD2 3.57Å; F11-H25 AromaticContact CD2-NE2 3.87Å; F11-H25 AromaticContact CE2-CD2 3.52Å; F11-H25 AromaticContact CE2-NE2 3.96Å; V22-H25 PolarHBondContact O-NE2 2.84Å; H25-V27 HydrophobicContact CB-CG1 4.26Å; H25-L49 HydrophobicContact CB-CD1 4.32Å
26	H	97.4	Very high	95	Very high	147 Å²	147	67.5 Å²	67.5	68%	0.681	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.9	169.1	-69	97.7	0	0	0	108.8	H8	H8-H26 AromaticContact CD2-CD2 3.39Å; H8-H26 PolarHBondContact CD2-CD2 3.34Å; H8-H26 AromaticContact CD2-CE1 3.4Å; H8-H26 PolarHBondContact CD2-CE1 3.2Å; H8-H26 VanDerWaalsContact CD2-CE1 3.4Å; H8-H26 AromaticContact CD2-CG 3.83Å; H8-H26 AromaticContact CD2-ND1 3.83Å; H8-H26 AromaticContact CD2-NE2 3.15Å; H8-H26 PolarHBondContact CD2-NE2 3.39Å; H8-H26 AromaticContact CG-CD2 3.97Å; H8-H26 AromaticContact CG-NE2 3.72Å; H8-H26 AromaticContact NE2-CE1 3.47Å; H8-H26 PolarHBondContact NE2-CE1 3.47Å; H8-H26 AromaticContact NE2-NE2 3.59Å
27	V	96.9	Very high	95.1	Very high	18 Å²	18	68 Å²	68	11%	0.109	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.7	-176.1	-58.9	0	0	0	0	111.3	A6 V7 L9 H25 L29 W44 L49	A6-V27 WeakPolarHBondContact CA-O 3.39Å; V7-V27 HydrophobicContact CG2-CG2 3.51Å; V7-V27 PolarHBondContact N-O 3.07Å; V7-V27 PolarHBondContact O-N 2.82Å; L9-V27 HydrophobicContact CD1-CG2 3.88Å; L9-V27 HydrophobicContact CG-CG2 4.18Å; H25-V27 HydrophobicContact CB-CG1 4.26Å; V27-L29 HydrophobicContact CG2-CD2 4.49Å; V27-W44 HydrophobicContact CB-CH2 3.87Å; V27-W44 HydrophobicContact CB-CZ3 4.15Å; V27-W44 HydrophobicContact CG1-CH2 3.86Å; V27-W44 HydrophobicContact CG1-CZ3 4.06Å; V27-W44 HydrophobicContact CG2-CH2 4.23Å; V27-W44 HydrophobicContact CG2-CZ3 4.03Å; V27-L49 HydrophobicContact CG1-CD1 4.25Å; V27-L49 HydrophobicContact CG1-CD2 4.41Å
28	T	97.1	Very high	95.2	Very high	97 Å²	97	62.2 Å²	62.2	60%	0.595	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.3	169.1	-53.3	0	0	0	0	108.4	P4	P4-T28 HydrophobicContact CB-CG2 3.78Å
29	L	96	Very high	95.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136.1	175.8	-60.3	171.6	0	0	0	109.2	P4 V5 V7 V27 W36 L41 W44 L86	P4-L29 VanDerWaalsContact CA-O 3.3Å; P4-L29 WeakPolarHBondContact CA-O 3.45Å; P4-L29 WeakPolarHBondContact CB-O 3.47Å; V5-L29 PolarHBondContact N-O 3.4Å; V5-L29 PolarHBondContact O-N 2.85Å; V7-L29 HydrophobicContact CG1-CD1 4.39Å; V7-L29 HydrophobicContact CG2-CD1 4.13Å; V7-L29 HydrophobicContact CG2-CG 4.33Å; V27-L29 HydrophobicContact CG2-CD2 4.49Å; L29-W36 HydrophobicContact CB-CD2 4.07Å; L29-W36 HydrophobicContact CB-CG 4.36Å; L29-W36 HydrophobicContact CB-CZ2 4.02Å; L29-W36 HydrophobicContact CD1-CB 4.34Å; L29-W36 HydrophobicContact CD1-CD2 3.73Å; L29-W36 HydrophobicContact CD1-CE3 3.88Å; L29-W36 HydrophobicContact CD1-CG 3.92Å; L29-W36 HydrophobicContact CD1-CZ3 4.46Å; L29-W36 HydrophobicContact CD2-CE3 4.4Å; L29-W36 HydrophobicContact CD2-CH2 4.16Å; L29-W36 HydrophobicContact CD2-CZ2 4.34Å; L29-W36 HydrophobicContact CD2-CZ3 4.17Å; L29-W36 HydrophobicContact CG-CD2 4.35Å; L29-L41 HydrophobicContact CD1-CD1 4.14Å; L29-L41 HydrophobicContact CD2-CD1 4.11Å; L29-W44 HydrophobicContact CD2-CD2 3.71Å; L29-W44 HydrophobicContact CD2-CE3 3.9Å; L29-W44 HydrophobicContact CD2-CG 4.07Å; L29-W44 HydrophobicContact CD2-CZ2 4.44Å; L29-W44 HydrophobicContact CD2-CZ3 4.34Å; L29-L86 HydrophobicContact CD1-CD1 3.54Å
30	P	93.9	Very high	95.3	Very high	73 Å²	73	68 Å²	68	47%	0.474	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-66.8	151.4	-177.1	27.9	-34.9	0	0	0	111.6	W36	P30-W36 HydrophobicContact CG-CZ2 4.06Å; P30-W36 PolarHBondContact O-NE1 3.29Å
31	S	91	Very high	95.5	Very high	70 Å²	70	62.4 Å²	62.4	49%	0.49	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-58.8	139.3	171.4	-53	0	0	0	0	111.3	A2 P4	A2-S31 WeakPolarHBondContact O-CB 3.47Å; P4-S31 WeakPolarHBondContact CD-OG 3.48Å; P4-S31 VanDerWaalsContact CG-OG 3.28Å; P4-S31 WeakPolarHBondContact CG-OG 3.46Å
32	Q	90.5	Very high	95.6	Very high	54 Å²	54	60.7 Å²	60.7	25%	0.252	32%	0.324	S	S	.	.			trans	-141.9	177.2	175.5	46	168.1	31.5	0	0	111.8	M1 A2 E34 P35	M1-Q32 CarbonylContact C-O 3.56Å; M1-Q32 WeakPolarHBondContact CA-O 3.32Å; A2-Q32 PolarHBondContact N-O 3.31Å; Q32-E34 VanDerWaalsContact CG-O 3.26Å; Q32-E34 WeakPolarHBondContact CG-O 3.43Å; Q32-E34 PolarHBondContact NE2-O 3.48Å; Q32-P35 PolarHBondContact NE2-O 2.98Å
33	S	89.4	Confident	95.6	Very high	102 Å²	102	60 Å²	60	71%	0.713	32%	0.32	S	S	*	.	S	Bend	trans	-65.2	-39.3	-178.3	44	0	0	0	0	112.5
34	E	91.6	Very high	95.6	Very high	126 Å²	126	56.6 Å²	56.6	59%	0.589	30%	0.304	S	S	*	.	S	Bend	trans	-113.3	155.2	-175.4	-64.5	-179.3	126.4	0	0	110.7	Q32	Q32-E34 VanDerWaalsContact CG-O 3.26Å; Q32-E34 WeakPolarHBondContact CG-O 3.43Å; Q32-E34 PolarHBondContact NE2-O 3.48Å
35	P	93.6	Very high	95.6	Very high	65 Å²	65	51.1 Å²	51.1	42%	0.422	28%	0.278	S	S	.	.			trans	-55.2	150.2	172.4	-22.6	34.1	0	0	0	111.6	Q32 Q40	Q32-P35 PolarHBondContact NE2-O 2.98Å; P35-Q40 PolarHBondContact O-OE1 3.14Å
36	W	97.1	Very high	95.5	Very high	13 Å²	13	53 Å²	53	5%	0.049	29%	0.288	C	S	.	.			trans	-71.4	137.3	171.5	-82.9	87.3	0	0	0	110.4	L29 P30 Q40 W44 Q85 L86	L29-W36 HydrophobicContact CB-CD2 4.07Å; L29-W36 HydrophobicContact CB-CG 4.36Å; L29-W36 HydrophobicContact CB-CZ2 4.02Å; L29-W36 HydrophobicContact CD1-CB 4.34Å; L29-W36 HydrophobicContact CD1-CD2 3.73Å; L29-W36 HydrophobicContact CD1-CE3 3.88Å; L29-W36 HydrophobicContact CD1-CG 3.92Å; L29-W36 HydrophobicContact CD1-CZ3 4.46Å; L29-W36 HydrophobicContact CD2-CE3 4.4Å; L29-W36 HydrophobicContact CD2-CH2 4.16Å; L29-W36 HydrophobicContact CD2-CZ2 4.34Å; L29-W36 HydrophobicContact CD2-CZ3 4.17Å; L29-W36 HydrophobicContact CG-CD2 4.35Å; P30-W36 HydrophobicContact CG-CZ2 4.06Å; P30-W36 PolarHBondContact O-NE1 3.29Å; W36-Q40 HydrophobicContact CE3-CB 3.65Å; W36-Q40 HydrophobicContact CZ3-CB 3.79Å; W36-Q40 WeakPolarHBondContact CZ3-O 3.34Å; W36-W44 HydrophobicContact CH2-CB 3.78Å; W36-W44 AromaticContact CH2-CD1 3.6Å; W36-W44 AromaticContact CH2-CG 3.82Å; W36-W44 HydrophobicContact CH2-CG 3.82Å; W36-W44 HydrophobicContact CZ3-CB 3.73Å; W36-W44 HydrophobicContact CZ3-CG 4.18Å; W36-Q85 CarbonylContact O-C 3.54Å; W36-Q85 WeakPolarHBondContact O-CA 3.44Å; W36-L86 HydrophobicContact CB-CB 4.13Å; W36-L86 HydrophobicContact CB-CD1 3.76Å; W36-L86 HydrophobicContact CB-CG 4.21Å; W36-L86 PolarHBondContact O-N 2.94Å
37	D	97.3	Very high	95.4	Very high	39 Å²	39	55.6 Å²	55.6	21%	0.209	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-117.9	171.2	168.2	64.1	28.6	0	0	0	111.4	K39 Q40 L41 Y84	D37-K39 VanDerWaalsContact C-N 3.28Å; D37-K39 PolarHBondContact O-N 3.41Å; D37-K39 WeakPolarHBondContact OD1-CB 3.48Å; D37-K39 PolarHBondContact OD1-N 2.97Å; D37-K39 VanDerWaalsContact OD1-N 3.16Å; D37-Q40 PolarHBondContact O-N 2.8Å; D37-Q40 VanDerWaalsContact OD1-CB 3.31Å; D37-Q40 WeakPolarHBondContact OD1-CB 3.41Å; D37-Q40 WeakPolarHBondContact OD1-CG 3.28Å; D37-Q40 PolarHBondContact OD1-N 2.91Å; D37-L41 PolarHBondContact O-N 2.81Å; D37-Y84 CarbonylContact C-O 3.58Å; D37-Y84 VanDerWaalsContact CA-O 3.22Å; D37-Y84 WeakPolarHBondContact CA-O 3.5Å
38	M	97.9	Very high	95.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-35.5	178.1	-80.7	-62.4	-62.5	0	0	112.6	L41 L42 V69 I71 W76 E81 L82 Y84 L86 I92 F94	M38-L41 HydrophobicContact CE-CD2 4.36Å; M38-L41 WeakPolarHBondContact O-CB 3.44Å; M38-L41 PolarHBondContact O-N 3.41Å; M38-L41 HydrophobicContact SD-CD2 3.8Å; M38-L42 WeakPolarHBondContact O-CG 3.47Å; M38-L42 PolarHBondContact O-N 3.07Å; M38-V69 HydrophobicContact CE-CG1 3.89Å; M38-I71 HydrophobicContact CG-CD1 3.98Å; M38-I71 HydrophobicContact SD-CD1 4.12Å; M38-W76 HydrophobicContact CE-CE3 4.09Å; M38-W76 HydrophobicContact CE-CZ3 4.27Å; M38-E81 WeakPolarHBondContact CB-O 3.34Å; M38-E81 VanDerWaalsContact CG-O 3.31Å; M38-E81 WeakPolarHBondContact CG-O 3.49Å; M38-L82 PolarHBondContact N-O 3.24Å; M38-Y84 HydrophobicContact CG-CD1 4.15Å; M38-Y84 PolarHBondContact N-O 3.19Å; M38-L86 HydrophobicContact CG-CD2 4.37Å; M38-L86 HydrophobicContact SD-CD2 3.79Å; M38-I92 HydrophobicContact CE-CG2 3.94Å; M38-I92 HydrophobicContact SD-CD1 4.22Å; M38-I92 HydrophobicContact SD-CG2 4.19Å; M38-F94 HydrophobicContact CE-CZ 4.29Å
39	K	97.2	Very high	95.3	Very high	84 Å²	84	55.2 Å²	55.2	37%	0.365	29%	0.285	S	S	.	.	H	α-helix	trans	-61.1	-48.1	176.7	-175.6	171.6	-173.8	160.9	0	111.7	D37 L41 L42 V43 D61 L82	D37-K39 VanDerWaalsContact C-N 3.28Å; D37-K39 PolarHBondContact O-N 3.41Å; D37-K39 WeakPolarHBondContact OD1-CB 3.48Å; D37-K39 PolarHBondContact OD1-N 2.97Å; D37-K39 VanDerWaalsContact OD1-N 3.16Å; K39-L41 VanDerWaalsContact C-N 3.32Å; K39-L42 PolarHBondContact O-N 3Å; K39-V43 WeakPolarHBondContact O-CG2 3.42Å; K39-V43 PolarHBondContact O-N 3.39Å; K39-D61 WeakPolarHBondContact CE-OD2 3.24Å; K39-D61 IonicContact NZ-OD2 3.95Å; K39-D61 PolarHBondContact NZ-OD2 3.4Å; K39-L82 HydrophobicContact CB-CB 4.29Å; K39-L82 PolarHBondContact N-O 3.12Å
40	Q	96.9	Very high	95.3	Very high	53 Å²	53	56.1 Å²	56.1	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-40.2	176.9	-69.8	172.2	-12	0	0	110.8	P35 W36 D37 L42 V43 W44	P35-Q40 PolarHBondContact O-OE1 3.14Å; W36-Q40 HydrophobicContact CE3-CB 3.65Å; W36-Q40 HydrophobicContact CZ3-CB 3.79Å; W36-Q40 WeakPolarHBondContact CZ3-O 3.34Å; D37-Q40 PolarHBondContact O-N 2.8Å; D37-Q40 VanDerWaalsContact OD1-CB 3.31Å; D37-Q40 WeakPolarHBondContact OD1-CB 3.41Å; D37-Q40 WeakPolarHBondContact OD1-CG 3.28Å; D37-Q40 PolarHBondContact OD1-N 2.91Å; Q40-L42 PolarHBondContact O-N 3.23Å; Q40-V43 PolarHBondContact O-N 2.81Å; Q40-W44 WeakPolarHBondContact O-CB 3.3Å; Q40-W44 PolarHBondContact O-N 2.95Å
41	L	97.5	Very high	95.4	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58	-47.2	175.5	-179.7	61.7	0	0	0	111.8	L9 L29 D37 M38 K39 V43 W44 I45 L86 I92	L9-L41 HydrophobicContact CD2-CD1 4.32Å; L9-L41 HydrophobicContact CD2-CD2 4.06Å; L29-L41 HydrophobicContact CD1-CD1 4.14Å; L29-L41 HydrophobicContact CD2-CD1 4.11Å; D37-L41 PolarHBondContact O-N 2.81Å; M38-L41 HydrophobicContact CE-CD2 4.36Å; M38-L41 WeakPolarHBondContact O-CB 3.44Å; M38-L41 PolarHBondContact O-N 3.41Å; M38-L41 HydrophobicContact SD-CD2 3.8Å; K39-L41 VanDerWaalsContact C-N 3.32Å; L41-V43 VanDerWaalsContact C-N 3.33Å; L41-V43 PolarHBondContact O-N 3.33Å; L41-W44 CarbonylContact O-C 3.59Å; L41-W44 WeakPolarHBondContact O-CB 3.25Å; L41-W44 PolarHBondContact O-N 2.92Å; L41-W44 VanDerWaalsContact O-N 3.07Å; L41-I45 HydrophobicContact CD1-CD1 4.02Å; L41-I45 HydrophobicContact CD1-CG1 4.06Å; L41-I45 HydrophobicContact CD2-CD1 4.32Å; L41-I45 HydrophobicContact CG-CD1 3.77Å; L41-I45 HydrophobicContact CG-CG1 4.24Å; L41-I45 WeakPolarHBondContact O-CG1 3.16Å; L41-I45 PolarHBondContact O-N 3.1Å; L41-L86 HydrophobicContact CB-CD1 3.98Å; L41-L86 HydrophobicContact CD1-CD1 4.32Å; L41-L86 HydrophobicContact CD2-CD1 4.04Å; L41-L86 HydrophobicContact CD2-CD2 4.13Å; L41-L86 HydrophobicContact CG-CD1 4.32Å; L41-I92 HydrophobicContact CD2-CG1 4.12Å; L41-I92 HydrophobicContact CD2-CG2 4.41Å
42	L	97.6	Very high	95.6	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-44.5	178.7	-69.2	-179.5	0	0	0	111.9	M38 K39 Q40 W44 I45 Q46 F57 V63 L82 F94	M38-L42 WeakPolarHBondContact O-CG 3.47Å; M38-L42 PolarHBondContact O-N 3.07Å; K39-L42 PolarHBondContact O-N 3Å; Q40-L42 PolarHBondContact O-N 3.23Å; L42-W44 VanDerWaalsContact C-N 3.28Å; L42-W44 PolarHBondContact O-N 3.04Å; L42-I45 PolarHBondContact O-N 3.03Å; L42-Q46 WeakPolarHBondContact O-CB 3.41Å; L42-Q46 PolarHBondContact O-N 2.78Å; L42-F57 HydrophobicContact CD2-CE1 4.21Å; L42-V63 HydrophobicContact CD1-CG1 4.05Å; L42-V63 HydrophobicContact CD2-CG1 3.7Å; L42-L82 HydrophobicContact CD1-CD2 3.82Å; L42-F94 HydrophobicContact CD2-CE1 3.75Å; L42-F94 HydrophobicContact CD2-CZ 3.99Å
43	V	96.3	Very high	95.7	Very high	53 Å²	53	65.3 Å²	65.3	32%	0.321	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-39.3	175.4	174.5	0	0	0	0	111.1	K39 Q40 L41 R47	K39-V43 WeakPolarHBondContact O-CG2 3.42Å; K39-V43 PolarHBondContact O-N 3.39Å; Q40-V43 PolarHBondContact O-N 2.81Å; L41-V43 VanDerWaalsContact C-N 3.33Å; L41-V43 PolarHBondContact O-N 3.33Å; V43-R47 VanDerWaalsContact O-CG 3.28Å; V43-R47 WeakPolarHBondContact O-CG 3.36Å; V43-R47 PolarHBondContact O-N 3.27Å
44	W	96.9	Very high	95.9	Very high	44 Å²	44	62.7 Å²	62.7	17%	0.167	29%	0.29	C	S	.	.	H	α-helix	trans	-68.8	-45.5	178.2	-173	94.5	0	0	0	112	V27 L29 W36 Q40 L41 L42 Q46 R47 N48 L49	V27-W44 HydrophobicContact CB-CH2 3.87Å; V27-W44 HydrophobicContact CB-CZ3 4.15Å; V27-W44 HydrophobicContact CG1-CH2 3.86Å; V27-W44 HydrophobicContact CG1-CZ3 4.06Å; V27-W44 HydrophobicContact CG2-CH2 4.23Å; V27-W44 HydrophobicContact CG2-CZ3 4.03Å; L29-W44 HydrophobicContact CD2-CD2 3.71Å; L29-W44 HydrophobicContact CD2-CE3 3.9Å; L29-W44 HydrophobicContact CD2-CG 4.07Å; L29-W44 HydrophobicContact CD2-CZ2 4.44Å; L29-W44 HydrophobicContact CD2-CZ3 4.34Å; W36-W44 HydrophobicContact CH2-CB 3.78Å; W36-W44 AromaticContact CH2-CD1 3.6Å; W36-W44 AromaticContact CH2-CG 3.82Å; W36-W44 HydrophobicContact CH2-CG 3.82Å; W36-W44 HydrophobicContact CZ3-CB 3.73Å; W36-W44 HydrophobicContact CZ3-CG 4.18Å; Q40-W44 WeakPolarHBondContact O-CB 3.3Å; Q40-W44 PolarHBondContact O-N 2.95Å; L41-W44 CarbonylContact O-C 3.59Å; L41-W44 WeakPolarHBondContact O-CB 3.25Å; L41-W44 PolarHBondContact O-N 2.92Å; L41-W44 VanDerWaalsContact O-N 3.07Å; L42-W44 VanDerWaalsContact C-N 3.28Å; L42-W44 PolarHBondContact O-N 3.04Å; W44-Q46 VanDerWaalsContact C-N 3.32Å; W44-Q46 PolarHBondContact O-N 2.96Å; W44-R47 PolarHBondContact O-N 3.26Å; W44-R47 VanDerWaalsContact O-N 3.14Å; W44-N48 VanDerWaalsContact CD1-ND2 3.28Å; W44-N48 HydrophobicContact CD2-CB 4.2Å; W44-N48 HydrophobicContact CE3-CB 4.35Å; W44-N48 HydrophobicContact CH2-CB 4.05Å; W44-N48 HydrophobicContact CZ2-CB 3.9Å; W44-N48 HydrophobicContact CZ3-CB 4.28Å; W44-N48 PolarHBondContact NE1-ND2 3.02Å; W44-N48 WeakPolarHBondContact O-CB 3.34Å; W44-N48 PolarHBondContact O-N 3.2Å; W44-N48 PolarHBondContact O-ND2 3.15Å; W44-L49 HydrophobicContact CH2-CD2 4.26Å; W44-L49 HydrophobicContact CH2-CG 4.27Å; W44-L49 HydrophobicContact CZ3-CD1 3.85Å; W44-L49 HydrophobicContact CZ3-CD2 4.23Å; W44-L49 HydrophobicContact CZ3-CG 3.75Å
45	I	97.1	Very high	95.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-47.9	176.1	-70.8	171.7	0	0	0	110.1	L9 F11 F19 L41 L42 R47 N48 L49 L50 F57 F94	L9-I45 HydrophobicContact CD1-CD1 3.82Å; L9-I45 HydrophobicContact CD1-CG1 3.84Å; L9-I45 HydrophobicContact CD2-CD1 4.36Å; F11-I45 HydrophobicContact CE1-CG2 4.47Å; F11-I45 HydrophobicContact CZ-CD1 4.47Å; F11-I45 HydrophobicContact CZ-CG2 4.15Å; F19-I45 HydrophobicContact CE1-CG2 3.47Å; F19-I45 VanDerWaalsContact CE1-CG2 3.47Å; F19-I45 HydrophobicContact CZ-CG2 3.78Å; L41-I45 HydrophobicContact CD1-CD1 4.02Å; L41-I45 HydrophobicContact CD1-CG1 4.06Å; L41-I45 HydrophobicContact CD2-CD1 4.32Å; L41-I45 HydrophobicContact CG-CD1 3.77Å; L41-I45 HydrophobicContact CG-CG1 4.24Å; L41-I45 WeakPolarHBondContact O-CG1 3.16Å; L41-I45 PolarHBondContact O-N 3.1Å; L42-I45 PolarHBondContact O-N 3.03Å; I45-R47 VanDerWaalsContact C-N 3.26Å; I45-R47 PolarHBondContact O-N 3.4Å; I45-N48 PolarHBondContact O-N 2.87Å; I45-L49 HydrophobicContact CG1-CD1 4.47Å; I45-L49 HydrophobicContact CG2-CB 4.41Å; I45-L49 PolarHBondContact O-N 2.93Å; I45-L50 PolarHBondContact O-N 2.81Å; I45-F57 HydrophobicContact CG2-CD1 4.36Å; I45-F57 HydrophobicContact CG2-CE1 3.73Å; I45-F57 HydrophobicContact CG2-CZ 4.32Å; I45-F94 HydrophobicContact CD1-CE2 3.84Å; I45-F94 HydrophobicContact CD1-CZ 3.92Å
46	Q	95.3	Very high	95.9	Very high	72 Å²	72	61.3 Å²	61.3	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-37.9	178.6	-174.3	-170.4	-3.4	0	0	112.6	L42 W44 L50 P54 V58	L42-Q46 WeakPolarHBondContact O-CB 3.41Å; L42-Q46 PolarHBondContact O-N 2.78Å; W44-Q46 VanDerWaalsContact C-N 3.32Å; W44-Q46 PolarHBondContact O-N 2.96Å; Q46-L50 HydrophobicContact CG-CD2 4.32Å; Q46-P54 HydrophobicContact CG-CB 4.07Å; Q46-P54 HydrophobicContact CG-CG 4.18Å; Q46-P54 VanDerWaalsContact NE2-CB 3.31Å; Q46-V58 HydrophobicContact CG-CG2 4.49Å
47	R	95.3	Very high	95.8	Very high	200 Å²	200	60.7 Å²	60.7	76%	0.755	28%	0.277	S	S	*	.	H	α-helix	trans	-84.6	-29.2	-175.9	-71.4	175.4	-177.8	178.9	3.6	113.9	V43 W44 I45	V43-R47 VanDerWaalsContact O-CG 3.28Å; V43-R47 WeakPolarHBondContact O-CG 3.36Å; V43-R47 PolarHBondContact O-N 3.27Å; W44-R47 PolarHBondContact O-N 3.26Å; W44-R47 VanDerWaalsContact O-N 3.14Å; I45-R47 VanDerWaalsContact C-N 3.26Å; I45-R47 PolarHBondContact O-N 3.4Å
48	N	96.5	Very high	95.7	Very high	82 Å²	82	59.6 Å²	59.6	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-113.2	-37.6	-167.9	-63.5	-85.6	0	0	0	113.4	W44 I45	W44-N48 VanDerWaalsContact CD1-ND2 3.28Å; W44-N48 HydrophobicContact CD2-CB 4.2Å; W44-N48 HydrophobicContact CE3-CB 4.35Å; W44-N48 HydrophobicContact CH2-CB 4.05Å; W44-N48 HydrophobicContact CZ2-CB 3.9Å; W44-N48 HydrophobicContact CZ3-CB 4.28Å; W44-N48 PolarHBondContact NE1-ND2 3.02Å; W44-N48 WeakPolarHBondContact O-CB 3.34Å; W44-N48 PolarHBondContact O-N 3.2Å; W44-N48 PolarHBondContact O-ND2 3.15Å; I45-N48 PolarHBondContact O-N 2.87Å
49	L	96.6	Very high	95.5	Very high	25 Å²	25	65.2 Å²	65.2	13%	0.131	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-40.6	-173.3	-60.8	-172.6	0	0	0	112.7	L9 F19 H25 V27 W44 I45 K51	L9-L49 HydrophobicContact CD1-CD1 3.68Å; F19-L49 HydrophobicContact CD1-CB 3.82Å; F19-L49 HydrophobicContact CE1-CB 4.09Å; H25-L49 HydrophobicContact CB-CD1 4.32Å; V27-L49 HydrophobicContact CG1-CD1 4.25Å; V27-L49 HydrophobicContact CG1-CD2 4.41Å; W44-L49 HydrophobicContact CH2-CD2 4.26Å; W44-L49 HydrophobicContact CH2-CG 4.27Å; W44-L49 HydrophobicContact CZ3-CD1 3.85Å; W44-L49 HydrophobicContact CZ3-CD2 4.23Å; W44-L49 HydrophobicContact CZ3-CG 3.75Å; I45-L49 HydrophobicContact CG1-CD1 4.47Å; I45-L49 HydrophobicContact CG2-CB 4.41Å; I45-L49 PolarHBondContact O-N 2.93Å; L49-K51 VanDerWaalsContact O-CE 3.31Å; L49-K51 WeakPolarHBondContact O-CE 3.42Å; L49-K51 WeakPolarHBondContact O-CG 3.4Å; L49-K51 PolarHBondContact O-N 2.87Å
50	L	95.8	Very high	95.3	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.099	32%	0.316	C	S	.	.			trans	-61.7	130.6	-173.8	-166.4	76.2	0	0	0	111.6	L18 F19 I45 Q46 E52 P54 F57	L18-L50 HydrophobicContact CB-CD1 3.72Å; F19-L50 HydrophobicContact CD1-CD1 4.25Å; F19-L50 HydrophobicContact CE1-CB 3.96Å; F19-L50 HydrophobicContact CE1-CD1 3.56Å; F19-L50 HydrophobicContact CE1-CG 4.38Å; F19-L50 HydrophobicContact CE2-CD1 4.2Å; F19-L50 HydrophobicContact CZ-CD1 3.53Å; I45-L50 PolarHBondContact O-N 2.81Å; Q46-L50 HydrophobicContact CG-CD2 4.32Å; L50-E52 WeakPolarHBondContact CD2-O 3.37Å; L50-E52 WeakPolarHBondContact CG-O 3.37Å; L50-P54 VanDerWaalsContact CD2-CA 3.44Å; L50-P54 HydrophobicContact CD2-CB 4.17Å; L50-P54 HydrophobicContact CD2-CG 4.1Å; L50-F57 HydrophobicContact CD1-CB 3.93Å; L50-F57 HydrophobicContact CD1-CG 4.29Å
51	K	96.7	Very high	95	Very high	114 Å²	114	67.2 Å²	67.2	50%	0.496	33%	0.332	S	S	.	.			trans	-108.6	-24.1	-178.9	-55	-59.9	-178.6	-166.9	0	113	L18 D20 L49	L18-K51 PolarHBondContact O-N 3.06Å; D20-K51 WeakPolarHBondContact OD1-CG 3.39Å; D20-K51 WeakPolarHBondContact OD2-CE 3.4Å; D20-K51 WeakPolarHBondContact OD2-CG 3.5Å; L49-K51 VanDerWaalsContact O-CE 3.31Å; L49-K51 WeakPolarHBondContact O-CE 3.42Å; L49-K51 WeakPolarHBondContact O-CG 3.4Å; L49-K51 PolarHBondContact O-N 2.87Å
52	E	94.9	Very high	95	Very high	107 Å²	107	69.5 Å²	69.5	50%	0.5	35%	0.345	S	S	.	.	S	Bend	trans	-98.9	-175.3	177.8	-67.9	-59.3	149.6	0	0	111.8	L18 L50 L56	L18-E52 HydrophobicContact CB-CB 4.33Å; L18-E52 HydrophobicContact CD2-CB 3.73Å; L18-E52 HydrophobicContact CD2-CG 4.09Å; L50-E52 WeakPolarHBondContact CD2-O 3.37Å; L50-E52 WeakPolarHBondContact CG-O 3.37Å; E52-L56 HydrophobicContact CB-CD1 4.44Å
53	R	92.6	Very high	94.9	Very high	170 Å²	170	69.7 Å²	69.7	64%	0.642	35%	0.347	S	S	*	.			trans	-64.2	129.3	-177.3	-61.1	-172.6	-172.7	180	2	112	E55 L56	R53-E55 VanDerWaalsContact C-N 3.28Å; R53-E55 HydrophobicContact CB-CG 4.34Å; R53-E55 WeakPolarHBondContact CD-OE1 3.46Å; R53-E55 PolarHBondContact O-N 3.43Å; R53-L56 HydrophobicContact CB-CD1 4.18Å; R53-L56 HydrophobicContact CB-CG 4.22Å; R53-L56 WeakPolarHBondContact O-CB 3.31Å; R53-L56 PolarHBondContact O-N 2.73Å
54	P	92.4	Very high	94.8	Very high	46 Å²	46	71 Å²	71	30%	0.299	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-50.3	-40.8	178.8	-31	36.9	0	0	0	115.6	Q46 L50 L56 F57 V58	Q46-P54 HydrophobicContact CG-CB 4.07Å; Q46-P54 HydrophobicContact CG-CG 4.18Å; Q46-P54 VanDerWaalsContact NE2-CB 3.31Å; L50-P54 VanDerWaalsContact CD2-CA 3.44Å; L50-P54 HydrophobicContact CD2-CB 4.17Å; L50-P54 HydrophobicContact CD2-CG 4.1Å; P54-L56 PolarHBondContact O-N 3.47Å; P54-F57 PolarHBondContact O-N 3.22Å; P54-V58 HydrophobicContact CB-CG2 4.14Å; P54-V58 VanDerWaalsContact O-CG2 3.23Å; P54-V58 WeakPolarHBondContact O-CG2 3.48Å; P54-V58 PolarHBondContact O-N 3.02Å
55	E	92.9	Very high	94.7	Very high	109 Å²	109	72.8 Å²	72.8	51%	0.509	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-63.7	-11.2	-178.1	63.3	-93.7	-152.4	0	0	114.4	R53 V58 R64	R53-E55 VanDerWaalsContact C-N 3.28Å; R53-E55 HydrophobicContact CB-CG 4.34Å; R53-E55 WeakPolarHBondContact CD-OE1 3.46Å; R53-E55 PolarHBondContact O-N 3.43Å; E55-V58 WeakPolarHBondContact CA-O 3.14Å; E55-R64 WeakPolarHBondContact O-CD 3.3Å
56	L	93.1	Very high	94.5	Very high	53 Å²	53	74 Å²	74	28%	0.277	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-81.5	-24.6	173.7	-60.6	177.1	0	0	0	112.5	L18 E52 R53 P54 R64	L18-L56 HydrophobicContact CD1-CB 4.11Å; L18-L56 HydrophobicContact CD2-CB 3.91Å; L18-L56 HydrophobicContact CD2-CD1 3.87Å; E52-L56 HydrophobicContact CB-CD1 4.44Å; R53-L56 HydrophobicContact CB-CD1 4.18Å; R53-L56 HydrophobicContact CB-CG 4.22Å; R53-L56 WeakPolarHBondContact O-CB 3.31Å; R53-L56 PolarHBondContact O-N 2.73Å; P54-L56 PolarHBondContact O-N 3.47Å; L56-R64 WeakPolarHBondContact O-CD 3.41Å
57	F	95.3	Very high	94.6	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-41	-177.5	-173.6	-115.1	0	0	0	112.8	F11 L18 F19 L42 I45 L50 P54 R64 I67 F94	F11-F57 HydrophobicContact CD1-CE2 4.14Å; F11-F57 HydrophobicContact CD1-CZ 4.44Å; F11-F57 AromaticContact CE1-CE2 3.92Å; F11-F57 HydrophobicContact CE1-CE2 3.92Å; F11-F57 AromaticContact CE1-CZ 3.78Å; F11-F57 HydrophobicContact CE1-CZ 3.78Å; L18-F57 HydrophobicContact CD1-CB 3.89Å; L18-F57 HydrophobicContact CD1-CD2 4.25Å; F19-F57 AromaticContact CE2-CD2 3.96Å; F19-F57 HydrophobicContact CE2-CD2 3.96Å; F19-F57 AromaticContact CE2-CE2 3.97Å; F19-F57 HydrophobicContact CE2-CE2 3.97Å; F19-F57 HydrophobicContact CE2-CG 4.43Å; F19-F57 HydrophobicContact CE2-CZ 4.46Å; F19-F57 HydrophobicContact CZ-CD1 4.01Å; F19-F57 AromaticContact CZ-CD2 3.88Å; F19-F57 HydrophobicContact CZ-CD2 3.88Å; F19-F57 HydrophobicContact CZ-CE1 4.03Å; F19-F57 AromaticContact CZ-CE2 3.89Å; F19-F57 HydrophobicContact CZ-CE2 3.89Å; F19-F57 AromaticContact CZ-CG 3.96Å; F19-F57 HydrophobicContact CZ-CG 3.96Å; F19-F57 AromaticContact CZ-CZ 3.98Å; F19-F57 HydrophobicContact CZ-CZ 3.98Å; L42-F57 HydrophobicContact CD2-CE1 4.21Å; I45-F57 HydrophobicContact CG2-CD1 4.36Å; I45-F57 HydrophobicContact CG2-CE1 3.73Å; I45-F57 HydrophobicContact CG2-CZ 4.32Å; L50-F57 HydrophobicContact CD1-CB 3.93Å; L50-F57 HydrophobicContact CD1-CG 4.29Å; P54-F57 PolarHBondContact O-N 3.22Å; F57-R64 PolarHBondContact O-N 2.86Å; F57-I67 HydrophobicContact CD2-CD1 3.87Å; F57-I67 HydrophobicContact CE2-CD1 4.36Å; F57-I67 WeakPolarHBondContact O-CD1 3.44Å; F57-F94 HydrophobicContact CE2-CB 4.11Å; F57-F94 AromaticContact CE2-CD1 3.96Å; F57-F94 HydrophobicContact CE2-CD1 3.96Å; F57-F94 HydrophobicContact CE2-CG 4.01Å; F57-F94 HydrophobicContact CZ-CB 4.46Å; F57-F94 AromaticContact CZ-CD1 3.64Å; F57-F94 HydrophobicContact CZ-CD1 3.64Å; F57-F94 HydrophobicContact CZ-CD2 4.28Å; F57-F94 AromaticContact CZ-CE1 3.88Å; F57-F94 HydrophobicContact CZ-CE1 3.88Å; F57-F94 HydrophobicContact CZ-CE2 4.46Å; F57-F94 AromaticContact CZ-CG 3.87Å; F57-F94 HydrophobicContact CZ-CG 3.87Å; F57-F94 HydrophobicContact CZ-CZ 4.28Å
58	V	95.1	Very high	94.6	Very high	16 Å²	16	66.3 Å²	66.3	10%	0.097	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147	-177.5	-71.1	0	0	0	0	111.9	Q46 P54 E55 T62	Q46-V58 HydrophobicContact CG-CG2 4.49Å; P54-V58 HydrophobicContact CB-CG2 4.14Å; P54-V58 VanDerWaalsContact O-CG2 3.23Å; P54-V58 WeakPolarHBondContact O-CG2 3.48Å; P54-V58 PolarHBondContact O-N 3.02Å; E55-V58 WeakPolarHBondContact CA-O 3.14Å; V58-T62 CarbonylContact C-O 3.57Å; V58-T62 WeakPolarHBondContact CA-O 3.43Å
59	Q	94.1	Very high	94.7	Very high	119 Å²	119	62.5 Å²	62.5	56%	0.556	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	115.3	170.5	-174.4	176.7	26.7	0	0	109.9	D61 T62 P65	Q59-D61 PolarHBondContact O-N 2.92Å; Q59-T62 PolarHBondContact N-O 2.92Å; Q59-T62 PolarHBondContact O-N 3.28Å; Q59-P65 VanDerWaalsContact OE1-CG 3.27Å
60	G	91.9	Very high	94.8	Very high	73 Å²	73	63.4 Å²	63.4	75%	0.753	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	-121.8	-173.3	0	0	0	0	0	110.6
61	D	92.1	Very high	94.9	Very high	106 Å²	106	62.5 Å²	62.5	57%	0.567	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	3.5	-177.9	-72.5	6.5	0	0	0	113.2	K39 Q59	K39-D61 WeakPolarHBondContact CE-OD2 3.24Å; K39-D61 IonicContact NZ-OD2 3.95Å; K39-D61 PolarHBondContact NZ-OD2 3.4Å; Q59-D61 PolarHBondContact O-N 2.92Å
62	T	96	Very high	95	Very high	47 Å²	47	60.5 Å²	60.5	29%	0.288	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	177.6	-173	-166.9	0	0	0	0	112.3	V58 Q59 W76	V58-T62 CarbonylContact C-O 3.57Å; V58-T62 WeakPolarHBondContact CA-O 3.43Å; Q59-T62 PolarHBondContact N-O 2.92Å; Q59-T62 PolarHBondContact O-N 3.28Å; T62-W76 WeakPolarHBondContact OG1-CH2 3.15Å
63	V	95.4	Very high	95.1	Very high	9 Å²	9	61.6 Å²	61.6	6%	0.055	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	149.3	175.1	-59.7	0	0	0	0	111.1	L42 I67 V69 W76 F94	L42-V63 HydrophobicContact CD1-CG1 4.05Å; L42-V63 HydrophobicContact CD2-CG1 3.7Å; V63-I67 HydrophobicContact CB-CB 4.34Å; V63-I67 HydrophobicContact CB-CG2 4.41Å; V63-I67 HydrophobicContact CG2-CB 4.43Å; V63-V69 HydrophobicContact CB-CG2 4.38Å; V63-V69 HydrophobicContact CG1-CG2 3.79Å; V63-V69 HydrophobicContact CG2-CG2 3.87Å; V63-W76 HydrophobicContact CG1-CH2 4.23Å; V63-W76 HydrophobicContact CG2-CH2 3.7Å; V63-W76 HydrophobicContact CG2-CZ2 3.81Å; V63-F94 HydrophobicContact CG1-CD1 4.12Å; V63-F94 HydrophobicContact CG1-CE1 3.9Å
64	R	95.3	Very high	95.4	Very high	79 Å²	79	55.1 Å²	55.1	30%	0.298	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-61.5	136.9	176.7	-175.2	-176.9	179.8	-130.9	-2.1	110.2	E55 L56 F57 G66 I67	E55-R64 WeakPolarHBondContact O-CD 3.3Å; L56-R64 WeakPolarHBondContact O-CD 3.41Å; F57-R64 PolarHBondContact O-N 2.86Å; R64-G66 PolarHBondContact O-N 2.9Å; R64-I67 HydrophobicContact CB-CD1 4.06Å; R64-I67 WeakPolarHBondContact O-CB 3.36Å; R64-I67 PolarHBondContact O-N 3.39Å
65	P	94.5	Very high	95.6	Very high	82 Å²	82	56.1 Å²	56.1	53%	0.532	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	136.4	172.9	-28.4	35	0	0	0	111.9	Q59 L98	Q59-P65 VanDerWaalsContact OE1-CG 3.27Å; P65-L98 WeakPolarHBondContact O-CD1 3.25Å
66	G	93.5	Very high	95.8	Very high	26 Å²	26	52 Å²	52	27%	0.268	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	10	-171.8	0	0	0	0	0	114.3	R64 T97	R64-G66 PolarHBondContact O-N 2.9Å; G66-T97 PolarHBondContact O-N 3.28Å; G66-T97 PolarHBondContact O-OG1 3.3Å; G66-T97 VanDerWaalsContact O-OG1 3.07Å
67	I	95.9	Very high	96	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.082	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.5	160.4	-60.7	175.2	0	0	0	107.4	F57 V63 R64 F94 I95	F57-I67 HydrophobicContact CD2-CD1 3.87Å; F57-I67 HydrophobicContact CE2-CD1 4.36Å; F57-I67 WeakPolarHBondContact O-CD1 3.44Å; V63-I67 HydrophobicContact CB-CB 4.34Å; V63-I67 HydrophobicContact CB-CG2 4.41Å; V63-I67 HydrophobicContact CG2-CB 4.43Å; R64-I67 HydrophobicContact CB-CD1 4.06Å; R64-I67 WeakPolarHBondContact O-CB 3.36Å; R64-I67 PolarHBondContact O-N 3.39Å; I67-F94 HydrophobicContact CG2-CB 4.2Å; I67-F94 HydrophobicContact CG2-CD1 4.33Å; I67-I95 CarbonylContact C-O 3.59Å; I67-I95 WeakPolarHBondContact CA-O 3.38Å
68	L	96.8	Very high	96	Very high	94 Å²	94	62.7 Å²	62.7	49%	0.492	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	142.5	171.7	-61.6	174.1	0	0	0	109.3	F94 I95 T97	L68-F94 WeakPolarHBondContact O-CA 3.23Å; L68-I95 HydrophobicContact CB-CB 4.43Å; L68-I95 PolarHBondContact N-O 2.83Å; L68-I95 PolarHBondContact O-N 3Å; L68-T97 HydrophobicContact CD1-CG2 3.7Å; L68-T97 HydrophobicContact CG-CG2 3.93Å
69	V	98.2	Very high	96.1	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.012	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.2	177.9	-171.9	0	0	0	0	109.2	M38 V63 W76 I92 V93 F94	M38-V69 HydrophobicContact CE-CG1 3.89Å; V63-V69 HydrophobicContact CB-CG2 4.38Å; V63-V69 HydrophobicContact CG1-CG2 3.79Å; V63-V69 HydrophobicContact CG2-CG2 3.87Å; V69-W76 HydrophobicContact CB-CB 4.22Å; V69-W76 HydrophobicContact CB-CD2 3.55Å; V69-W76 HydrophobicContact CB-CE3 3.75Å; V69-W76 HydrophobicContact CB-CG 3.74Å; V69-W76 HydrophobicContact CB-CZ2 4.47Å; V69-W76 HydrophobicContact CB-CZ3 4.28Å; V69-W76 HydrophobicContact CG1-CB 4.23Å; V69-W76 HydrophobicContact CG1-CD2 3.98Å; V69-W76 HydrophobicContact CG1-CE3 3.75Å; V69-W76 HydrophobicContact CG1-CG 4.18Å; V69-W76 HydrophobicContact CG1-CZ3 4.36Å; V69-W76 HydrophobicContact CG2-CD2 4Å; V69-W76 HydrophobicContact CG2-CE3 3.99Å; V69-W76 HydrophobicContact CG2-CH2 4.02Å; V69-W76 HydrophobicContact CG2-CZ2 4.05Å; V69-W76 HydrophobicContact CG2-CZ3 3.99Å; V69-W76 PolarHBondContact O-N 3.34Å; V69-I92 HydrophobicContact CG1-CG2 4.17Å; V69-V93 CarbonylContact C-O 3.58Å; V69-V93 VanDerWaalsContact CA-O 3.3Å; V69-V93 WeakPolarHBondContact CA-O 3.28Å; V69-F94 HydrophobicContact CG1-CD1 4.27Å; V69-F94 HydrophobicContact CG1-CE1 3.95Å; V69-F94 HydrophobicContact CG1-CZ 4.48Å; V69-F94 HydrophobicContact CG2-CD1 3.8Å; V69-F94 HydrophobicContact CG2-CE1 3.9Å
70	L	98.5	Very high	96.2	Very high	45 Å²	45	61.4 Å²	61.4	24%	0.236	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.1	173.5	-53.8	175.1	0	0	0	109.5	A74 I92 V93 I95	L70-A74 CarbonylContact C-O 3.56Å; L70-A74 VanDerWaalsContact CA-O 3.24Å; L70-A74 WeakPolarHBondContact CA-O 3.37Å; L70-I92 WeakPolarHBondContact O-CA 3.39Å; L70-V93 HydrophobicContact CB-CB 4.2Å; L70-V93 PolarHBondContact N-O 3.38Å; L70-V93 PolarHBondContact O-N 3.07Å; L70-I95 HydrophobicContact CD1-CD1 4.32Å
71	I	98.5	Very high	96.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.8	173	-53.8	-175	0	0	0	106.6	M38 D73 A74 W76 M79 Y84 I92	M38-I71 HydrophobicContact CG-CD1 3.98Å; M38-I71 HydrophobicContact SD-CD1 4.12Å; I71-D73 VanDerWaalsContact C-N 3.3Å; I71-D73 PolarHBondContact O-N 2.8Å; I71-A74 PolarHBondContact N-O 2.88Å; I71-A74 WeakPolarHBondContact O-CB 3.35Å; I71-A74 PolarHBondContact O-N 2.84Å; I71-W76 HydrophobicContact CD1-CB 3.94Å; I71-W76 HydrophobicContact CG1-CB 3.94Å; I71-M79 HydrophobicContact CB-CG 4.39Å; I71-M79 HydrophobicContact CD1-CB 4.14Å; I71-Y84 HydrophobicContact CD1-CD1 3.56Å; I71-Y84 HydrophobicContact CD1-CD2 4.33Å; I71-Y84 HydrophobicContact CD1-CE1 4.1Å; I71-Y84 HydrophobicContact CD1-CG 3.68Å; I71-Y84 HydrophobicContact CG2-CD1 4.15Å; I71-Y84 HydrophobicContact CG2-CE1 3.59Å; I71-Y84 HydrophobicContact CG2-CE2 4.3Å; I71-I92 HydrophobicContact CB-CD1 4.22Å; I71-I92 HydrophobicContact CG1-CD1 4.04Å; I71-I92 HydrophobicContact CG2-CD1 3.8Å
72	N	98	Very high	96.7	Very high	71 Å²	71	58.4 Å²	58.4	38%	0.38	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	49.8	-176.2	-60	-43.2	0	0	0	112.4	A74 D90 N91	N72-A74 PolarHBondContact O-N 2.87Å; N72-A74 VanDerWaalsContact O-N 3.12Å; N72-D90 PolarHBondContact ND2-OD1 3.06Å; N72-N91 PolarHBondContact N-O 2.87Å; N72-N91 PolarHBondContact OD1-N 2.9Å
73	D	97.3	Very high	96.8	Very high	130 Å²	130	62.6 Å²	62.6	70%	0.695	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	7.3	-178	-51.5	-42.3	0	0	0	115.6	I71	I71-D73 VanDerWaalsContact C-N 3.3Å; I71-D73 PolarHBondContact O-N 2.8Å
74	A	97.9	Very high	96.9	Very high	35 Å²	35	63.6 Å²	63.6	29%	0.289	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.4	174.1	0	0	0	0	0	111.5	L70 I71 N72 W76 M79	L70-A74 CarbonylContact C-O 3.56Å; L70-A74 VanDerWaalsContact CA-O 3.24Å; L70-A74 WeakPolarHBondContact CA-O 3.37Å; I71-A74 PolarHBondContact N-O 2.88Å; I71-A74 WeakPolarHBondContact O-CB 3.35Å; I71-A74 PolarHBondContact O-N 2.84Å; N72-A74 PolarHBondContact O-N 2.87Å; N72-A74 VanDerWaalsContact O-N 3.12Å; A74-W76 PolarHBondContact O-N 2.81Å; A74-M79 HydrophobicContact CB-CG 4.33Å; A74-M79 HydrophobicContact CB-SD 4.17Å
75	D	97.4	Very high	97	Very high	67 Å²	67	65.5 Å²	65.5	36%	0.358	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	124.7	174.4	-162.9	-40.4	0	0	0	110.4	E77 L78	D75-E77 PolarHBondContact O-N 2.89Å; D75-E77 VanDerWaalsContact O-N 3.15Å; D75-E77 PolarHBondContact OD1-N 2.98Å; D75-E77 VanDerWaalsContact OD1-N 3.1Å; D75-L78 WeakPolarHBondContact O-CB 3.49Å; D75-L78 PolarHBondContact O-N 2.78Å
76	W	97.9	Very high	97.2	Very high	21 Å²	21	62 Å²	62	8%	0.08	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-60.9	-23.3	-176.9	78.7	-32.4	0	0	0	113.5	M38 T62 V63 V69 I71 A74 L78 M79 G80 E81 L82	M38-W76 HydrophobicContact CE-CE3 4.09Å; M38-W76 HydrophobicContact CE-CZ3 4.27Å; T62-W76 WeakPolarHBondContact OG1-CH2 3.15Å; V63-W76 HydrophobicContact CG1-CH2 4.23Å; V63-W76 HydrophobicContact CG2-CH2 3.7Å; V63-W76 HydrophobicContact CG2-CZ2 3.81Å; V69-W76 HydrophobicContact CB-CB 4.22Å; V69-W76 HydrophobicContact CB-CD2 3.55Å; V69-W76 HydrophobicContact CB-CE3 3.75Å; V69-W76 HydrophobicContact CB-CG 3.74Å; V69-W76 HydrophobicContact CB-CZ2 4.47Å; V69-W76 HydrophobicContact CB-CZ3 4.28Å; V69-W76 HydrophobicContact CG1-CB 4.23Å; V69-W76 HydrophobicContact CG1-CD2 3.98Å; V69-W76 HydrophobicContact CG1-CE3 3.75Å; V69-W76 HydrophobicContact CG1-CG 4.18Å; V69-W76 HydrophobicContact CG1-CZ3 4.36Å; V69-W76 HydrophobicContact CG2-CD2 4Å; V69-W76 HydrophobicContact CG2-CE3 3.99Å; V69-W76 HydrophobicContact CG2-CH2 4.02Å; V69-W76 HydrophobicContact CG2-CZ2 4.05Å; V69-W76 HydrophobicContact CG2-CZ3 3.99Å; V69-W76 PolarHBondContact O-N 3.34Å; I71-W76 HydrophobicContact CD1-CB 3.94Å; I71-W76 HydrophobicContact CG1-CB 3.94Å; A74-W76 PolarHBondContact O-N 2.81Å; W76-L78 PolarHBondContact O-N 2.89Å; W76-M79 CarbonylContact O-C 3.57Å; W76-M79 WeakPolarHBondContact O-CA 3.23Å; W76-M79 PolarHBondContact O-N 2.82Å; W76-G80 PolarHBondContact O-N 3.47Å; W76-E81 HydrophobicContact CD2-CB 4.3Å; W76-E81 HydrophobicContact CD2-CG 4.39Å; W76-E81 HydrophobicContact CE3-CB 4.38Å; W76-E81 PolarHBondContact O-N 2.88Å; W76-L82 HydrophobicContact CH2-CD2 4.42Å; W76-L82 HydrophobicContact CZ3-CD2 4.18Å
77	E	95.9	Very high	97.3	Very high	128 Å²	128	65.7 Å²	65.7	60%	0.598	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-61.3	-31.2	176.7	-66.9	-169.7	158.2	0	0	110.7	D75 M79 E81	D75-E77 PolarHBondContact O-N 2.89Å; D75-E77 VanDerWaalsContact O-N 3.15Å; D75-E77 PolarHBondContact OD1-N 2.98Å; D75-E77 VanDerWaalsContact OD1-N 3.1Å; E77-M79 VanDerWaalsContact C-N 3.35Å; E77-E81 HydrophobicContact CB-CG 4.5Å; E77-E81 HydrophobicContact CG-CG 4.38Å
78	L	96.9	Very high	97.3	Very high	151 Å²	151	69.6 Å²	69.6	79%	0.791	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-82.5	-14.6	175.6	-58	178.4	0	0	0	113.1	D75 W76	D75-L78 WeakPolarHBondContact O-CB 3.49Å; D75-L78 PolarHBondContact O-N 2.78Å; W76-L78 PolarHBondContact O-N 2.89Å
79	M	96.7	Very high	97.3	Very high	69 Å²	69	72.9 Å²	72.9	34%	0.34	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-4.3	-174.4	-55.8	-61.4	-73.7	0	0	112.8	I71 A74 W76 E77 Y84	I71-M79 HydrophobicContact CB-CG 4.39Å; I71-M79 HydrophobicContact CD1-CB 4.14Å; A74-M79 HydrophobicContact CB-CG 4.33Å; A74-M79 HydrophobicContact CB-SD 4.17Å; W76-M79 CarbonylContact O-C 3.57Å; W76-M79 WeakPolarHBondContact O-CA 3.23Å; W76-M79 PolarHBondContact O-N 2.82Å; E77-M79 VanDerWaalsContact C-N 3.35Å; M79-Y84 HydrophobicContact CB-CD2 3.9Å; M79-Y84 HydrophobicContact CB-CE2 4.44Å; M79-Y84 HydrophobicContact CB-CG 4.46Å; M79-Y84 HydrophobicContact CE-CD2 4.35Å; M79-Y84 HydrophobicContact CE-CE2 3.76Å; M79-Y84 WeakPolarHBondContact O-CD2 3.5Å
80	G	95.9	Very high	97.3	Very high	38 Å²	38	73.1 Å²	73.1	39%	0.392	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	12.4	-178	0	0	0	0	0	114.4	W76 L82 D83	W76-G80 PolarHBondContact O-N 3.47Å; G80-L82 PolarHBondContact O-N 2.99Å; G80-L82 VanDerWaalsContact O-N 3.16Å; G80-D83 PolarHBondContact O-N 2.86Å
81	E	97.2	Very high	97.3	Very high	82 Å²	82	72.5 Å²	72.5	38%	0.383	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	51	-115.3	173.2	-57.5	174.3	-165	0	0	112.7	M38 W76 E77 D83 Y84	M38-E81 WeakPolarHBondContact CB-O 3.34Å; M38-E81 VanDerWaalsContact CG-O 3.31Å; M38-E81 WeakPolarHBondContact CG-O 3.49Å; W76-E81 HydrophobicContact CD2-CB 4.3Å; W76-E81 HydrophobicContact CD2-CG 4.39Å; W76-E81 HydrophobicContact CE3-CB 4.38Å; W76-E81 PolarHBondContact O-N 2.88Å; E77-E81 HydrophobicContact CB-CG 4.5Å; E77-E81 HydrophobicContact CG-CG 4.38Å; E81-D83 VanDerWaalsContact C-N 3.27Å; E81-D83 PolarHBondContact O-N 2.81Å; E81-Y84 PolarHBondContact O-N 3.36Å
82	L	97.6	Very high	97.3	Very high	34 Å²	34	72.5 Å²	72.5	18%	0.178	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-67.3	-25.4	-178.7	-64.2	-179.2	0	0	0	113.4	M38 K39 L42 W76 G80	M38-L82 PolarHBondContact N-O 3.24Å; K39-L82 HydrophobicContact CB-CB 4.29Å; K39-L82 PolarHBondContact N-O 3.12Å; L42-L82 HydrophobicContact CD1-CD2 3.82Å; W76-L82 HydrophobicContact CH2-CD2 4.42Å; W76-L82 HydrophobicContact CZ3-CD2 4.18Å; G80-L82 PolarHBondContact O-N 2.99Å; G80-L82 VanDerWaalsContact O-N 3.16Å
83	D	97.7	Very high	97.3	Very high	135 Å²	135	69.5 Å²	69.5	72%	0.722	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-89.9	-4.5	-176.8	-63.2	-40.3	0	0	0	112.6	G80 E81 Q85	G80-D83 PolarHBondContact O-N 2.86Å; E81-D83 VanDerWaalsContact C-N 3.27Å; E81-D83 PolarHBondContact O-N 2.81Å; D83-Q85 PolarHBondContact O-N 3.05Å
84	Y	98.1	Very high	97.4	Very high	31 Å²	31	63.3 Å²	63.3	12%	0.122	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-62.3	124.3	175.9	177.5	-94.6	0	0	0	110.4	D37 M38 I71 M79 E81 L86 D90	D37-Y84 CarbonylContact C-O 3.58Å; D37-Y84 VanDerWaalsContact CA-O 3.22Å; D37-Y84 WeakPolarHBondContact CA-O 3.5Å; M38-Y84 HydrophobicContact CG-CD1 4.15Å; M38-Y84 PolarHBondContact N-O 3.19Å; I71-Y84 HydrophobicContact CD1-CD1 3.56Å; I71-Y84 HydrophobicContact CD1-CD2 4.33Å; I71-Y84 HydrophobicContact CD1-CE1 4.1Å; I71-Y84 HydrophobicContact CD1-CG 3.68Å; I71-Y84 HydrophobicContact CG2-CD1 4.15Å; I71-Y84 HydrophobicContact CG2-CE1 3.59Å; I71-Y84 HydrophobicContact CG2-CE2 4.3Å; M79-Y84 HydrophobicContact CB-CD2 3.9Å; M79-Y84 HydrophobicContact CB-CE2 4.44Å; M79-Y84 HydrophobicContact CB-CG 4.46Å; M79-Y84 HydrophobicContact CE-CD2 4.35Å; M79-Y84 HydrophobicContact CE-CE2 3.76Å; M79-Y84 WeakPolarHBondContact O-CD2 3.5Å; E81-Y84 PolarHBondContact O-N 3.36Å; Y84-L86 HydrophobicContact CD1-CD2 4.21Å; Y84-L86 HydrophobicContact CE1-CD2 4.25Å; Y84-D90 VanDerWaalsContact CE1-OD2 3.25Å; Y84-D90 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D90 PolarHBondContact OH-OD2 2.96Å
85	Q	97.6	Very high	97.3	Very high	118 Å²	118	64.5 Å²	64.5	55%	0.551	33%	0.331	S	S	*	.	B	Isolated β-bridge	trans	-82.2	122.7	175.7	-67.6	-172.9	-8.3	0	0	110.2	W36 D83	W36-Q85 CarbonylContact O-C 3.54Å; W36-Q85 WeakPolarHBondContact O-CA 3.44Å; D83-Q85 PolarHBondContact O-N 3.05Å
86	L	97.2	Very high	97.2	Very high	9 Å²	9	61.6 Å²	61.6	5%	0.047	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-66.4	137.1	179.8	-59.5	177.3	0	0	0	111.1	V5 V7 L29 W36 M38 L41 Y84 I92	V5-L86 HydrophobicContact CG1-CB 4.41Å; V7-L86 HydrophobicContact CG1-CD1 4.42Å; L29-L86 HydrophobicContact CD1-CD1 3.54Å; W36-L86 HydrophobicContact CB-CB 4.13Å; W36-L86 HydrophobicContact CB-CD1 3.76Å; W36-L86 HydrophobicContact CB-CG 4.21Å; W36-L86 PolarHBondContact O-N 2.94Å; M38-L86 HydrophobicContact CG-CD2 4.37Å; M38-L86 HydrophobicContact SD-CD2 3.79Å; L41-L86 HydrophobicContact CB-CD1 3.98Å; L41-L86 HydrophobicContact CD1-CD1 4.32Å; L41-L86 HydrophobicContact CD2-CD1 4.04Å; L41-L86 HydrophobicContact CD2-CD2 4.13Å; L41-L86 HydrophobicContact CG-CD1 4.32Å; Y84-L86 HydrophobicContact CD1-CD2 4.21Å; Y84-L86 HydrophobicContact CE1-CD2 4.25Å; L86-I92 HydrophobicContact CD2-CD1 4.14Å; L86-I92 HydrophobicContact CD2-CG1 4.47Å
87	L	95.8	Very high	96.7	Very high	103 Å²	103	64.6 Å²	64.6	54%	0.539	34%	0.337	S	S	.	.			trans	-107.3	158.2	172.3	-55.9	-179.1	0	0	0	110.4	V5 Q89 D90	V5-L87 WeakPolarHBondContact CG1-O 3.5Å; L87-Q89 PolarHBondContact O-N 3.46Å; L87-D90 PolarHBondContact N-OD2 3.17Å; L87-D90 WeakPolarHBondContact O-CB 3.27Å; L87-D90 PolarHBondContact O-N 2.94Å
88	D	96	Very high	95.5	Very high	98 Å²	98	63.2 Å²	63.2	52%	0.524	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	135.3	175.7	-164.8	58.6	0	0	0	110	A6 D90	A6-D88 WeakPolarHBondContact CB-OD1 3.31Å; A6-D88 PolarHBondContact N-OD1 3.2Å; D88-D90 VanDerWaalsContact C-N 3.28Å; D88-D90 PolarHBondContact O-N 3.1Å
89	Q	96.7	Very high	93.8	Very high	163 Å²	163	60.2 Å²	60.2	76%	0.762	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	15.9	-175.4	-41.8	-156.6	-82.8	0	0	115.9	A6 L87 N91	A6-Q89 WeakPolarHBondContact O-CA 3.5Å; A6-Q89 PolarHBondContact O-N 3.12Å; L87-Q89 PolarHBondContact O-N 3.46Å; Q89-N91 PolarHBondContact O-N 3.39Å
90	D	98.3	Very high	91.6	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.037	34%	0.339	C	S	.	.			trans	-58.6	138.6	172	-85.7	-14.9	0	0	0	111.4	V7 H8 N72 Y84 L87 D88 I92	V7-D90 HydrophobicContact CG1-CB 4.34Å; H8-D90 PolarHBondContact N-O 3.4Å; N72-D90 PolarHBondContact ND2-OD1 3.06Å; Y84-D90 VanDerWaalsContact CE1-OD2 3.25Å; Y84-D90 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D90 PolarHBondContact OH-OD2 2.96Å; L87-D90 PolarHBondContact N-OD2 3.17Å; L87-D90 WeakPolarHBondContact O-CB 3.27Å; L87-D90 PolarHBondContact O-N 2.94Å; D88-D90 VanDerWaalsContact C-N 3.28Å; D88-D90 PolarHBondContact O-N 3.1Å; D90-I92 HydrophobicContact CB-CD1 4.09Å
91	N	98.6	Very high	89.2	Confident	32 Å²	32	66 Å²	66	17%	0.171	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.2	171.8	-171.7	40.7	0	0	0	109.9	H8 N72 Q89	H8-N91 PolarHBondContact ND1-OD1 2.85Å; N72-N91 PolarHBondContact N-O 2.87Å; N72-N91 PolarHBondContact OD1-N 2.9Å; Q89-N91 PolarHBondContact O-N 3.39Å
92	I	98.6	Very high	88.8	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.1	179.9	-44.8	-59.1	0	0	0	109	H8 L9 E10 M38 L41 V69 L70 I71 L86 D90 F94	H8-I92 PolarHBondContact O-N 2.9Å; L9-I92 CarbonylContact C-O 3.6Å; L9-I92 WeakPolarHBondContact CA-O 3.43Å; L9-I92 HydrophobicContact CD2-CB 3.85Å; L9-I92 HydrophobicContact CD2-CG1 4.13Å; E10-I92 PolarHBondContact N-O 3.3Å; M38-I92 HydrophobicContact CE-CG2 3.94Å; M38-I92 HydrophobicContact SD-CD1 4.22Å; M38-I92 HydrophobicContact SD-CG2 4.19Å; L41-I92 HydrophobicContact CD2-CG1 4.12Å; L41-I92 HydrophobicContact CD2-CG2 4.41Å; V69-I92 HydrophobicContact CG1-CG2 4.17Å; L70-I92 WeakPolarHBondContact O-CA 3.39Å; I71-I92 HydrophobicContact CB-CD1 4.22Å; I71-I92 HydrophobicContact CG1-CD1 4.04Å; I71-I92 HydrophobicContact CG2-CD1 3.8Å; L86-I92 HydrophobicContact CD2-CD1 4.14Å; L86-I92 HydrophobicContact CD2-CG1 4.47Å; D90-I92 HydrophobicContact CB-CD1 4.09Å; I92-F94 HydrophobicContact CB-CE2 4.35Å; I92-F94 HydrophobicContact CG2-CD2 4.39Å; I92-F94 HydrophobicContact CG2-CE2 3.59Å; I92-F94 HydrophobicContact CG2-CZ 3.66Å
93	V	98.6	Very high	88.3	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.055	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.8	-176.6	-170.8	0	0	0	0	109.9	E10 V69 L70 I95	E10-V93 HydrophobicContact CB-CB 4.41Å; E10-V93 HydrophobicContact CB-CG1 4.08Å; E10-V93 HydrophobicContact CB-CG2 4.13Å; E10-V93 HydrophobicContact CG-CG1 4.29Å; E10-V93 CarbonylContact O-C 3.33Å; E10-V93 WeakPolarHBondContact O-CA 3.31Å; V69-V93 CarbonylContact C-O 3.58Å; V69-V93 VanDerWaalsContact CA-O 3.3Å; V69-V93 WeakPolarHBondContact CA-O 3.28Å; L70-V93 HydrophobicContact CB-CB 4.2Å; L70-V93 PolarHBondContact N-O 3.38Å; L70-V93 PolarHBondContact O-N 3.07Å; V93-I95 HydrophobicContact CG1-CD1 4.13Å; V93-I95 HydrophobicContact CG1-CG1 3.82Å
94	F	98.3	Very high	87.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.8	174.8	-61	-88.2	0	0	0	109.9	L9 E10 F11 G12 M38 L42 I45 F57 V63 I67 L68 V69 I92	L9-F94 HydrophobicContact CD2-CE2 4.49Å; E10-F94 PolarHBondContact O-N 2.84Å; F11-F94 WeakPolarHBondContact CA-O 3.42Å; F11-F94 HydrophobicContact CD1-CB 3.81Å; F11-F94 AromaticContact CD1-CD2 3.86Å; F11-F94 HydrophobicContact CD1-CD2 3.86Å; F11-F94 HydrophobicContact CD1-CG 4.12Å; F11-F94 HydrophobicContact CE1-CB 4.21Å; F11-F94 AromaticContact CE1-CD2 3.48Å; F11-F94 HydrophobicContact CE1-CD2 3.48Å; F11-F94 VanDerWaalsContact CE1-CD2 3.48Å; F11-F94 HydrophobicContact CE1-CE2 4.09Å; F11-F94 HydrophobicContact CE1-CG 4Å; F11-F94 HydrophobicContact CZ-CD2 4.23Å; G12-F94 PolarHBondContact N-O 3.15Å; M38-F94 HydrophobicContact CE-CZ 4.29Å; L42-F94 HydrophobicContact CD2-CE1 3.75Å; L42-F94 HydrophobicContact CD2-CZ 3.99Å; I45-F94 HydrophobicContact CD1-CE2 3.84Å; I45-F94 HydrophobicContact CD1-CZ 3.92Å; F57-F94 HydrophobicContact CE2-CB 4.11Å; F57-F94 AromaticContact CE2-CD1 3.96Å; F57-F94 HydrophobicContact CE2-CD1 3.96Å; F57-F94 HydrophobicContact CE2-CG 4.01Å; F57-F94 HydrophobicContact CZ-CB 4.46Å; F57-F94 AromaticContact CZ-CD1 3.64Å; F57-F94 HydrophobicContact CZ-CD1 3.64Å; F57-F94 HydrophobicContact CZ-CD2 4.28Å; F57-F94 AromaticContact CZ-CE1 3.88Å; F57-F94 HydrophobicContact CZ-CE1 3.88Å; F57-F94 HydrophobicContact CZ-CE2 4.46Å; F57-F94 AromaticContact CZ-CG 3.87Å; F57-F94 HydrophobicContact CZ-CG 3.87Å; F57-F94 HydrophobicContact CZ-CZ 4.28Å; V63-F94 HydrophobicContact CG1-CD1 4.12Å; V63-F94 HydrophobicContact CG1-CE1 3.9Å; I67-F94 HydrophobicContact CG2-CB 4.2Å; I67-F94 HydrophobicContact CG2-CD1 4.33Å; L68-F94 WeakPolarHBondContact O-CA 3.23Å; V69-F94 HydrophobicContact CG1-CD1 4.27Å; V69-F94 HydrophobicContact CG1-CE1 3.95Å; V69-F94 HydrophobicContact CG1-CZ 4.48Å; V69-F94 HydrophobicContact CG2-CD1 3.8Å; V69-F94 HydrophobicContact CG2-CE1 3.9Å; I92-F94 HydrophobicContact CB-CE2 4.35Å; I92-F94 HydrophobicContact CG2-CD2 4.39Å; I92-F94 HydrophobicContact CG2-CE2 3.59Å; I92-F94 HydrophobicContact CG2-CZ 3.66Å
95	I	97.1	Very high	87.2	Confident	59 Å²	59	64.9 Å²	64.9	30%	0.303	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.3	-178.3	-55.1	172.8	0	0	0	109.3	G12 I67 L68 L70 V93 T97	G12-I95 WeakPolarHBondContact O-CA 3.16Å; I67-I95 CarbonylContact C-O 3.59Å; I67-I95 WeakPolarHBondContact CA-O 3.38Å; L68-I95 HydrophobicContact CB-CB 4.43Å; L68-I95 PolarHBondContact N-O 2.83Å; L68-I95 PolarHBondContact O-N 3Å; L70-I95 HydrophobicContact CD1-CD1 4.32Å; V93-I95 HydrophobicContact CG1-CD1 4.13Å; V93-I95 HydrophobicContact CG1-CG1 3.82Å; I95-T97 PolarHBondContact O-N 3.39Å
96	S	94.7	Very high	86.5	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.042	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.3	170.9	152.8	0	0	0	0	110.1	G12 G13 H99	G12-S96 PolarHBondContact O-N 3.47Å; G13-S96 CarbonylContact C-O 3.58Å; G13-S96 VanDerWaalsContact CA-O 3.31Å; G13-S96 WeakPolarHBondContact CA-O 3.33Å; G13-S96 VanDerWaalsContact O-CB 3.27Å; G13-S96 WeakPolarHBondContact O-CB 3.17Å; G13-S96 PolarHBondContact O-OG 3.4Å; G13-S96 VanDerWaalsContact O-OG 3.06Å; S96-H99 PolarHBondContact OG-N 2.86Å; S96-H99 PolarHBondContact OG-ND1 3.4Å
97	T	88	Confident	85.8	Confident	85 Å²	85	65.1 Å²	65.1	52%	0.521	42%	0.416	S	S	.	.	S	Bend	trans	-95.8	-0.6	174.8	67.7	0	0	0	0	112.8	G66 L68 I95	G66-T97 PolarHBondContact O-N 3.28Å; G66-T97 PolarHBondContact O-OG1 3.3Å; G66-T97 VanDerWaalsContact O-OG1 3.07Å; L68-T97 HydrophobicContact CD1-CG2 3.7Å; L68-T97 HydrophobicContact CG-CG2 3.93Å; I95-T97 PolarHBondContact O-N 3.39Å
98	L	70.5	Confident	85.1	Confident	98 Å²	98	62.4 Å²	62.4	51%	0.513	41%	0.407	S	S	.	.	S	Bend	trans	-101.2	-23.3	-174.2	-73.1	175.2	0	0	0	114.5	P65	P65-L98 WeakPolarHBondContact O-CD1 3.25Å
99	H	61.1	Low	84.3	Confident	88 Å²	88	59.7 Å²	59.7	41%	0.407	40%	0.398	S	S	.	.			trans	-96	17.2	-172.6	-66.4	95.5	0	0	0	114.3	S96 G101	S96-H99 PolarHBondContact OG-N 2.86Å; S96-H99 PolarHBondContact OG-ND1 3.4Å; H99-G101 VanDerWaalsContact C-N 3.29Å; H99-G101 PolarHBondContact O-N 3.1Å; H99-G101 VanDerWaalsContact O-N 3.1Å
100	G	51.3	Low	83.2	Confident	83 Å²	83	51.1 Å²	51.1	86%	0.856	37%	0.368	S	S	*	.			trans	-84.7	61.1	177.1	0	0	0	0	0	113.3
101	G	44	Very low	81.9	Confident	146 Å²	146	55.1 Å²	55.1	100%	1.505	40%	0.398	S	S	*	.			trans	-105.4	0	171.6	0	0	0	0	0	112	H99	H99-G101 VanDerWaalsContact C-N 3.29Å; H99-G101 PolarHBondContact O-N 3.1Å; H99-G101 VanDerWaalsContact O-N 3.1Å

Retrieved 101 of 101 residues in 93.8 ms (Link to these results)

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