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Histone-arginine methyltransferase METTL23

Histone methyltransferase that dimethylates histone H3 at 'Arg-17', forming asymmetric dimethylarginine (H3R17me2a), leading to activate transcription via chromatin remodeling. Maternal factor involved in epigenetic chromatin reprogramming of the paternal genome in the zygote: mediates H3R17me2a, promoting histone H3.3 incorporation in the male pronucleus, leading to TET3 recruitment and subsequent DNA demethylation.

AlphaFold DB , UniProt , Accession A0A096NT48, Species PAPAN (Papio anubis, Olive baboon), Gene METTL23, Length 190 aa.

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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	74.6	Confident	94.4	Very high	114 Å²	114	40.5 Å²	40.5	56%	0.562	19%	0.185	S	C	*	.				0	160.2	0	-81.3	-175.1	-93.2	0	0	109.8	V33 C58 V61	M1-V33 HydrophobicContact CB-CG1 3.55Å; M1-C58 HydrophobicContact CE-CB 4.04Å; M1-V61 HydrophobicContact CE-CB 3.55Å; M1-V61 HydrophobicContact CE-CG1 3.69Å; M1-V61 HydrophobicContact CE-CG2 3.73Å
2	Y	89.8	Confident	94.7	Very high	140 Å²	140	39.3 Å²	39.3	55%	0.549	18%	0.18	S	C	.	.			trans	-139.9	170.3	176.4	64.4	-84.1	0	0	0	109.5	W4	Y2-W4 HydrophobicContact CE1-CH2 4.37Å; Y2-W4 AromaticContact CE1-CZ2 3.93Å; Y2-W4 HydrophobicContact CE1-CZ2 3.93Å; Y2-W4 HydrophobicContact CE2-CD2 4.01Å; Y2-W4 HydrophobicContact CE2-CE3 4.15Å; Y2-W4 HydrophobicContact CE2-CG 4.47Å; Y2-W4 HydrophobicContact CE2-CZ3 4.49Å; Y2-W4 AromaticContact CZ-CD2 3.95Å; Y2-W4 AromaticContact CZ-CE2 3.75Å; Y2-W4 AromaticContact CZ-CH2 3.81Å; Y2-W4 AromaticContact CZ-CZ2 3.69Å; Y2-W4 AromaticContact CZ-CZ3 3.97Å; Y2-W4 PolarHBondContact O-N 2.9Å; Y2-W4 WeakPolarHBondContact OH-CH2 3.35Å; Y2-W4 VanDerWaalsContact OH-CZ2 3.32Å; Y2-W4 WeakPolarHBondContact OH-CZ2 3.39Å; Y2-W4 WeakPolarHBondContact OH-CZ3 3.36Å
3	V	93.8	Very high	95	Very high	50 Å²	50	37.9 Å²	37.9	30%	0.303	17%	0.173	S	C	.	.			trans	-76	119.6	177.4	177.6	0	0	0	0	109.5	A7 V8 V33 L35 L172	V3-A7 HydrophobicContact CG1-CB 4.19Å; V3-V8 HydrophobicContact CG1-CG2 3.54Å; V3-V33 HydrophobicContact CB-CG2 4.4Å; V3-V33 HydrophobicContact CG2-CG2 3.72Å; V3-L35 HydrophobicContact CG1-CD2 3.52Å; V3-L35 HydrophobicContact CG2-CD2 4.45Å; V3-L172 HydrophobicContact CB-CD1 4.29Å; V3-L172 HydrophobicContact CG1-CD1 3.95Å
4	W	94.8	Very high	95.3	Very high	114 Å²	114	35.2 Å²	35.2	43%	0.432	16%	0.16	S	C	.	.			trans	-80.8	153.1	174.6	-69.3	94.2	0	0	0	111.8	Y2 C6 A7	Y2-W4 HydrophobicContact CE1-CH2 4.37Å; Y2-W4 AromaticContact CE1-CZ2 3.93Å; Y2-W4 HydrophobicContact CE1-CZ2 3.93Å; Y2-W4 HydrophobicContact CE2-CD2 4.01Å; Y2-W4 HydrophobicContact CE2-CE3 4.15Å; Y2-W4 HydrophobicContact CE2-CG 4.47Å; Y2-W4 HydrophobicContact CE2-CZ3 4.49Å; Y2-W4 AromaticContact CZ-CD2 3.95Å; Y2-W4 AromaticContact CZ-CE2 3.75Å; Y2-W4 AromaticContact CZ-CH2 3.81Å; Y2-W4 AromaticContact CZ-CZ2 3.69Å; Y2-W4 AromaticContact CZ-CZ3 3.97Å; Y2-W4 PolarHBondContact O-N 2.9Å; Y2-W4 WeakPolarHBondContact OH-CH2 3.35Å; Y2-W4 VanDerWaalsContact OH-CZ2 3.32Å; Y2-W4 WeakPolarHBondContact OH-CZ2 3.39Å; Y2-W4 WeakPolarHBondContact OH-CZ3 3.36Å; W4-C6 VanDerWaalsContact C-N 3.28Å; W4-C6 PolarHBondContact O-N 3.36Å; W4-A7 WeakPolarHBondContact O-CB 3.18Å; W4-A7 PolarHBondContact O-N 3.38Å
5	P	96.1	Very high	95.5	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-48.8	-46.3	178.9	-28.5	34	0	0	0	114	A7 V8 V9 L172 P173 H176 V178	P5-A7 VanDerWaalsContact C-N 3.32Å; P5-A7 PolarHBondContact O-N 3.41Å; P5-V8 WeakPolarHBondContact O-CB 3.32Å; P5-V8 PolarHBondContact O-N 2.86Å; P5-V8 VanDerWaalsContact O-N 3.11Å; P5-V9 PolarHBondContact O-N 2.89Å; P5-L172 HydrophobicContact CG-CD2 4.03Å; P5-P173 HydrophobicContact CB-CB 3.73Å; P5-H176 HydrophobicContact CB-CB 4.04Å; P5-H176 HydrophobicContact CG-CB 4.08Å; P5-H176 VanDerWaalsContact CG-CD2 3.49Å; P5-H176 WeakPolarHBondContact CG-CD2 3.25Å; P5-V178 HydrophobicContact CB-CG2 4.17Å
6	C	97.4	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.5	-40.8	176.7	-76.2	0	0	0	0	113.7	W4 V8 V9 L10 D101 T131 Y132 Q133	W4-C6 VanDerWaalsContact C-N 3.28Å; W4-C6 PolarHBondContact O-N 3.36Å; C6-V8 VanDerWaalsContact C-N 3.26Å; C6-V8 PolarHBondContact O-N 2.85Å; C6-V9 PolarHBondContact O-N 2.79Å; C6-L10 PolarHBondContact O-N 2.86Å; C6-D101 HydrophobicContact CB-CB 3.52Å; C6-D101 VanDerWaalsContact SG-CG 3.56Å; C6-D101 PolarHBondContact SG-OD1 3.03Å; C6-T131 WeakPolarHBondContact CB-OG1 3.36Å; C6-T131 PolarHBondContact O-OG1 3.26Å; C6-Y132 VanDerWaalsContact SG-C 3.6Å; C6-Q133 PolarHBondContact SG-N 2.93Å
7	A	97.9	Very high	95.8	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-34.7	179.2	0	0	0	0	0	111.8	V3 W4 P5 A11 L35 P36	V3-A7 HydrophobicContact CG1-CB 4.19Å; W4-A7 WeakPolarHBondContact O-CB 3.18Å; W4-A7 PolarHBondContact O-N 3.38Å; P5-A7 VanDerWaalsContact C-N 3.32Å; P5-A7 PolarHBondContact O-N 3.41Å; A7-A11 WeakPolarHBondContact O-CB 3.15Å; A7-A11 PolarHBondContact O-N 2.9Å; A7-L35 HydrophobicContact CB-CB 4.48Å; A7-L35 HydrophobicContact CB-CD2 4.38Å; A7-P36 HydrophobicContact CB-CG 4.27Å
8	V	97.9	Very high	95.9	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.067	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-41.5	175.8	-178	0	0	0	0	111.1	V3 P5 C6 A11 Q12 L35 I167 L172	V3-V8 HydrophobicContact CG1-CG2 3.54Å; P5-V8 WeakPolarHBondContact O-CB 3.32Å; P5-V8 PolarHBondContact O-N 2.86Å; P5-V8 VanDerWaalsContact O-N 3.11Å; C6-V8 VanDerWaalsContact C-N 3.26Å; C6-V8 PolarHBondContact O-N 2.85Å; V8-A11 PolarHBondContact O-N 2.98Å; V8-Q12 WeakPolarHBondContact O-CB 3.44Å; V8-Q12 PolarHBondContact O-N 3.2Å; V8-L35 HydrophobicContact CG2-CD2 3.9Å; V8-I167 HydrophobicContact CG1-CB 3.71Å; V8-I167 HydrophobicContact CG1-CD1 4.33Å; V8-I167 HydrophobicContact CG1-CG2 3.75Å; V8-L172 HydrophobicContact CB-CB 4.21Å; V8-L172 HydrophobicContact CG1-CB 4.39Å; V8-L172 HydrophobicContact CG2-CB 3.76Å; V8-L172 HydrophobicContact CG2-CD1 3.62Å; V8-L172 HydrophobicContact CG2-CG 4.35Å
9	V	98.4	Very high	96.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-45.5	175.8	176	0	0	0	0	111.1	P5 C6 A11 Q12 Y13 T131 L157 F160 A162 I167 P173 V178	P5-V9 PolarHBondContact O-N 2.89Å; C6-V9 PolarHBondContact O-N 2.79Å; V9-A11 VanDerWaalsContact C-N 3.34Å; V9-A11 PolarHBondContact O-N 3.14Å; V9-Q12 WeakPolarHBondContact O-CB 3.44Å; V9-Q12 PolarHBondContact O-N 3.33Å; V9-Y13 PolarHBondContact O-N 2.93Å; V9-T131 HydrophobicContact CB-CG2 4.09Å; V9-T131 HydrophobicContact CG1-CG2 3.83Å; V9-L157 HydrophobicContact CG1-CD2 3.76Å; V9-F160 HydrophobicContact CG1-CE2 3.98Å; V9-F160 HydrophobicContact CG1-CZ 4.01Å; V9-A162 HydrophobicContact CG1-CB 4.21Å; V9-I167 HydrophobicContact CG2-CD1 4.2Å; V9-P173 HydrophobicContact CG2-CB 3.98Å; V9-P173 HydrophobicContact CG2-CG 3.97Å; V9-V178 HydrophobicContact CB-CG1 4Å; V9-V178 HydrophobicContact CG1-CG1 4.04Å; V9-V178 HydrophobicContact CG2-CB 4.18Å; V9-V178 HydrophobicContact CG2-CG1 3.9Å; V9-V178 HydrophobicContact CG2-CG2 4.41Å
10	L	98.7	Very high	96.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-38.4	178	-173.3	56.8	0	0	0	111.6	C6 Y13 L14 P36 L98 W129 T131 M180	C6-L10 PolarHBondContact O-N 2.86Å; L10-Y13 WeakPolarHBondContact O-CB 3.34Å; L10-Y13 PolarHBondContact O-N 3.11Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.06Å; L10-P36 HydrophobicContact CB-CG 4.24Å; L10-P36 HydrophobicContact CD2-CB 4.02Å; L10-P36 HydrophobicContact CD2-CG 4.04Å; L10-P36 HydrophobicContact CG-CB 4.13Å; L10-P36 HydrophobicContact CG-CG 4.29Å; L10-L98 HydrophobicContact CD2-CB 4.2Å; L10-W129 HydrophobicContact CD1-CB 4.2Å; L10-T131 HydrophobicContact CB-CG2 3.69Å; L10-T131 HydrophobicContact CD1-CG2 4.34Å; L10-M180 HydrophobicContact CD1-CE 3.99Å; L10-M180 HydrophobicContact CD1-SD 3.94Å
11	A	98.6	Very high	96.2	Very high	8 Å²	8	54 Å²	54	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-43.4	172.5	0	0	0	0	0	111.5	A7 V8 V9 Y13 L14 W15 L35 L39	A7-A11 WeakPolarHBondContact O-CB 3.15Å; A7-A11 PolarHBondContact O-N 2.9Å; V8-A11 PolarHBondContact O-N 2.98Å; V9-A11 VanDerWaalsContact C-N 3.34Å; V9-A11 PolarHBondContact O-N 3.14Å; A11-Y13 VanDerWaalsContact C-N 3.32Å; A11-Y13 PolarHBondContact O-N 2.95Å; A11-L14 WeakPolarHBondContact O-CB 3.24Å; A11-L14 PolarHBondContact O-N 3.21Å; A11-W15 WeakPolarHBondContact O-CB 3.46Å; A11-W15 PolarHBondContact O-N 2.88Å; A11-L35 HydrophobicContact CB-CD2 4.24Å; A11-L35 HydrophobicContact CB-CG 4.04Å; A11-L39 HydrophobicContact CB-CD2 3.69Å; A11-L39 WeakPolarHBondContact O-CD2 3.37Å
12	Q	98.5	Very high	97.4	Very high	27 Å²	27	52.5 Å²	52.5	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-40.8	175.6	-179.9	57.9	22.5	0	0	111.8	V8 V9 L14 W15 F16 F160 A162 I167	V8-Q12 WeakPolarHBondContact O-CB 3.44Å; V8-Q12 PolarHBondContact O-N 3.2Å; V9-Q12 WeakPolarHBondContact O-CB 3.44Å; V9-Q12 PolarHBondContact O-N 3.33Å; Q12-L14 PolarHBondContact O-N 3.37Å; Q12-W15 PolarHBondContact O-N 3Å; Q12-F16 WeakPolarHBondContact O-CB 3.24Å; Q12-F16 PolarHBondContact O-N 3.18Å; Q12-F160 HydrophobicContact CG-CD2 4.08Å; Q12-F160 WeakPolarHBondContact CG-O 3.19Å; Q12-F160 PolarHBondContact NE2-O 3.4Å; Q12-A162 HydrophobicContact CB-CB 4.34Å; Q12-A162 HydrophobicContact CG-CB 3.89Å; Q12-I167 HydrophobicContact CB-CD1 4.36Å; Q12-I167 HydrophobicContact CB-CG2 3.92Å; Q12-I167 HydrophobicContact CG-CD1 4.47Å; Q12-I167 HydrophobicContact CG-CG2 4.06Å
13	Y	98.6	Very high	97.8	Very high	21 Å²	21	48.2 Å²	48.2	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-44.8	174.7	-173.3	-104	0	0	0	112.3	V9 L10 A11 F16 H17 W129 I155 F160 M180	V9-Y13 PolarHBondContact O-N 2.93Å; L10-Y13 WeakPolarHBondContact O-CB 3.34Å; L10-Y13 PolarHBondContact O-N 3.11Å; A11-Y13 VanDerWaalsContact C-N 3.32Å; A11-Y13 PolarHBondContact O-N 2.95Å; Y13-F16 PolarHBondContact O-N 3.3Å; Y13-H17 AromaticContact CD2-CE1 3.85Å; Y13-H17 AromaticContact CD2-ND1 3.93Å; Y13-H17 AromaticContact CE2-CE1 3.32Å; Y13-H17 WeakPolarHBondContact CE2-CE1 3.33Å; Y13-H17 AromaticContact CE2-ND1 3.72Å; Y13-H17 AromaticContact CZ-CE1 3.59Å; Y13-H17 AromaticContact CZ-ND1 3.8Å; Y13-H17 PolarHBondContact O-N 3.27Å; Y13-H17 PolarHBondContact O-ND1 3.22Å; Y13-W129 HydrophobicContact CD1-CD2 4.29Å; Y13-W129 AromaticContact CD1-CE3 3.75Å; Y13-W129 HydrophobicContact CD1-CE3 3.75Å; Y13-W129 HydrophobicContact CD1-CZ3 4.01Å; Y13-W129 AromaticContact CE1-CD2 3.73Å; Y13-W129 HydrophobicContact CE1-CD2 3.73Å; Y13-W129 AromaticContact CE1-CE3 3.53Å; Y13-W129 HydrophobicContact CE1-CE3 3.53Å; Y13-W129 HydrophobicContact CE1-CG 4.37Å; Y13-W129 HydrophobicContact CE1-CH2 4.05Å; Y13-W129 HydrophobicContact CE1-CZ2 4.24Å; Y13-W129 AromaticContact CE1-CZ3 3.69Å; Y13-W129 HydrophobicContact CE1-CZ3 3.69Å; Y13-I155 HydrophobicContact CE2-CG2 3.98Å; Y13-F160 HydrophobicContact CD2-CB 4.28Å; Y13-F160 AromaticContact CD2-CD1 3.71Å; Y13-F160 HydrophobicContact CD2-CD1 3.71Å; Y13-F160 AromaticContact CD2-CD2 3.95Å; Y13-F160 HydrophobicContact CD2-CD2 3.95Å; Y13-F160 AromaticContact CD2-CE1 3.89Å; Y13-F160 HydrophobicContact CD2-CE1 3.89Å; Y13-F160 HydrophobicContact CD2-CE2 4.12Å; Y13-F160 AromaticContact CD2-CG 3.74Å; Y13-F160 HydrophobicContact CD2-CG 3.74Å; Y13-F160 HydrophobicContact CD2-CZ 4.09Å; Y13-F160 HydrophobicContact CE2-CD1 4.27Å; Y13-F160 HydrophobicContact CG-CD2 4.44Å; Y13-F160 HydrophobicContact CG-CE2 4.43Å; Y13-M180 HydrophobicContact CD1-CE 3.42Å; Y13-M180 VanDerWaalsContact CD1-CE 3.42Å; Y13-M180 HydrophobicContact CD1-SD 4.38Å; Y13-M180 HydrophobicContact CD2-CE 4.21Å; Y13-M180 HydrophobicContact CD2-CG 4.3Å; Y13-M180 HydrophobicContact CE1-CE 3.56Å; Y13-M180 HydrophobicContact CE2-CE 4.34Å; Y13-M180 HydrophobicContact CG-CE 3.76Å; Y13-M180 HydrophobicContact CG-CG 4.49Å; Y13-M180 HydrophobicContact CG-SD 4.18Å
14	L	98.7	Very high	98	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-44.2	174.3	-73.8	163.4	0	0	0	112.1	L10 A11 Q12 F16 H17 R18 L21 P36 L39 A40 L98 W129	L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.06Å; A11-L14 WeakPolarHBondContact O-CB 3.24Å; A11-L14 PolarHBondContact O-N 3.21Å; Q12-L14 PolarHBondContact O-N 3.37Å; L14-F16 VanDerWaalsContact C-N 3.34Å; L14-F16 PolarHBondContact O-N 3.3Å; L14-H17 CarbonylContact O-C 3.58Å; L14-H17 VanDerWaalsContact O-C 3.3Å; L14-H17 PolarHBondContact O-N 2.99Å; L14-R18 WeakPolarHBondContact O-CA 3.45Å; L14-R18 PolarHBondContact O-N 2.61Å; L14-L21 HydrophobicContact CB-CD1 4.19Å; L14-L21 HydrophobicContact CD2-CD1 3.92Å; L14-L21 HydrophobicContact CD2-CD2 4.01Å; L14-P36 HydrophobicContact CD1-CB 3.86Å; L14-P36 WeakPolarHBondContact CD1-O 3.34Å; L14-L39 HydrophobicContact CB-CD2 4.18Å; L14-A40 HydrophobicContact CD1-CB 4.27Å; L14-A40 HydrophobicContact CD2-CB 4.37Å; L14-L98 HydrophobicContact CD1-CD1 3.82Å; L14-L98 HydrophobicContact CD1-CD2 4.36Å; L14-L98 HydrophobicContact CD2-CD1 4.49Å; L14-L98 HydrophobicContact CD2-CD2 4.15Å; L14-W129 HydrophobicContact CD2-CE3 4.08Å; L14-W129 HydrophobicContact CD2-CZ3 3.9Å
15	W	98.4	Very high	98.2	Very high	123 Å²	123	45 Å²	45	47%	0.466	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-44.3	177.9	178.2	-111.9	0	0	0	111.5	A11 Q12 H17 R18 L39	A11-W15 WeakPolarHBondContact O-CB 3.46Å; A11-W15 PolarHBondContact O-N 2.88Å; Q12-W15 PolarHBondContact O-N 3Å; W15-H17 PolarHBondContact O-N 2.82Å; W15-R18 VanDerWaalsContact CE3-CD 3.45Å; W15-R18 VanDerWaalsContact O-CB 3.24Å; W15-R18 WeakPolarHBondContact O-CB 3.46Å; W15-R18 WeakPolarHBondContact O-CD 3.27Å; W15-R18 WeakPolarHBondContact O-CG 3.36Å; W15-R18 PolarHBondContact O-N 3.27Å; W15-R18 VanDerWaalsContact O-N 3.14Å; W15-R18 PolarHBondContact O-NH1 3.49Å; W15-L39 HydrophobicContact CB-CD2 4.06Å; W15-L39 HydrophobicContact CE3-CD1 4.14Å
16	F	98.2	Very high	98.3	Very high	90 Å²	90	44.9 Å²	44.9	40%	0.395	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-41.7	177.1	-165.4	-91.3	0	0	0	111.1	Q12 Y13 L14 S159 F160	Q12-F16 WeakPolarHBondContact O-CB 3.24Å; Q12-F16 PolarHBondContact O-N 3.18Å; Y13-F16 PolarHBondContact O-N 3.3Å; L14-F16 VanDerWaalsContact C-N 3.34Å; L14-F16 PolarHBondContact O-N 3.3Å; F16-S159 WeakPolarHBondContact CZ-O 3.44Å; F16-F160 HydrophobicContact CB-CB 3.89Å; F16-F160 HydrophobicContact CD1-CB 4.04Å; F16-F160 HydrophobicContact CD2-CB 3.94Å; F16-F160 HydrophobicContact CE2-CB 4.48Å; F16-F160 HydrophobicContact CG-CB 3.69Å
17	H	97.9	Very high	98.4	Very high	62 Å²	62	44.9 Å²	44.9	29%	0.287	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	11.4	178.8	-62.6	89.6	0	0	0	114.6	Y13 L14 W15 R19 S20	Y13-H17 AromaticContact CD2-CE1 3.85Å; Y13-H17 AromaticContact CD2-ND1 3.93Å; Y13-H17 AromaticContact CE2-CE1 3.32Å; Y13-H17 WeakPolarHBondContact CE2-CE1 3.33Å; Y13-H17 AromaticContact CE2-ND1 3.72Å; Y13-H17 AromaticContact CZ-CE1 3.59Å; Y13-H17 AromaticContact CZ-ND1 3.8Å; Y13-H17 PolarHBondContact O-N 3.27Å; Y13-H17 PolarHBondContact O-ND1 3.22Å; L14-H17 CarbonylContact O-C 3.58Å; L14-H17 VanDerWaalsContact O-C 3.3Å; L14-H17 PolarHBondContact O-N 2.99Å; W15-H17 PolarHBondContact O-N 2.82Å; H17-R19 PolarHBondContact O-N 3.35Å; H17-S20 PolarHBondContact O-N 2.96Å; H17-S20 PolarHBondContact O-OG 3.16Å
18	R	98.4	Very high	98.4	Very high	83 Å²	83	44.7 Å²	44.7	31%	0.313	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-52.7	-26.1	-170.4	67.1	-164.5	173.9	-72.7	3.6	115.8	L14 W15 S20 L21 P22 C43	L14-R18 WeakPolarHBondContact O-CA 3.45Å; L14-R18 PolarHBondContact O-N 2.61Å; W15-R18 VanDerWaalsContact CE3-CD 3.45Å; W15-R18 VanDerWaalsContact O-CB 3.24Å; W15-R18 WeakPolarHBondContact O-CB 3.46Å; W15-R18 WeakPolarHBondContact O-CD 3.27Å; W15-R18 WeakPolarHBondContact O-CG 3.36Å; W15-R18 PolarHBondContact O-N 3.27Å; W15-R18 VanDerWaalsContact O-N 3.14Å; W15-R18 PolarHBondContact O-NH1 3.49Å; R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 2.89Å; R18-L21 PolarHBondContact O-N 2.98Å; R18-P22 WeakPolarHBondContact O-CD 3.44Å; R18-C43 HydrophobicContact CB-CB 4.1Å
19	R	98.4	Very high	98.5	Very high	217 Å²	217	44.1 Å²	44.1	82%	0.819	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-70	-21.2	179.2	-66.5	-178.3	178.7	167.2	0.4	113.5	H17	H17-R19 PolarHBondContact O-N 3.35Å
20	S	97.7	Very high	98.4	Very high	66 Å²	66	44.9 Å²	44.9	46%	0.462	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-96.5	-2.4	177.1	63.2	0	0	0	0	113.8	H17 R18 K24	H17-S20 PolarHBondContact O-N 2.96Å; H17-S20 PolarHBondContact O-OG 3.16Å; R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 2.89Å; S20-K24 VanDerWaalsContact O-CG 3.24Å; S20-K24 WeakPolarHBondContact O-CG 3.49Å
21	L	98.4	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.			trans	-81.3	-28.5	-179	-59.7	-174.3	0	0	0	115.6	L14 R18 G23 K24 I26 A40 C43 A45 I96	L14-L21 HydrophobicContact CB-CD1 4.19Å; L14-L21 HydrophobicContact CD2-CD1 3.92Å; L14-L21 HydrophobicContact CD2-CD2 4.01Å; R18-L21 PolarHBondContact O-N 2.98Å; L21-G23 PolarHBondContact O-N 3.26Å; L21-K24 WeakPolarHBondContact O-CB 3.48Å; L21-K24 PolarHBondContact O-N 3.47Å; L21-I26 HydrophobicContact CD2-CD1 4.18Å; L21-A40 HydrophobicContact CD1-CB 4.48Å; L21-C43 HydrophobicContact CB-CB 4.12Å; L21-C43 HydrophobicContact CD1-CB 3.76Å; L21-A45 HydrophobicContact CB-CB 4.42Å; L21-A45 WeakPolarHBondContact O-CA 3.2Å; L21-I96 HydrophobicContact CD2-CD1 4.35Å
22	P	98.7	Very high	98.3	Very high	82 Å²	82	45.3 Å²	45.3	53%	0.532	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	124.6	-179.1	-30.3	35.8	0	0	0	113.1	R18 K24 G44	R18-P22 WeakPolarHBondContact O-CD 3.44Å; P22-K24 VanDerWaalsContact C-N 3.25Å; P22-K24 PolarHBondContact O-N 3.19Å; P22-G44 WeakPolarHBondContact CA-O 3.35Å
23	G	98	Very high	98.2	Very high	50 Å²	50	45.4 Å²	45.4	52%	0.515	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	5.4	179.5	0	0	0	0	0	115.5	L21 G44	L21-G23 PolarHBondContact O-N 3.26Å; G23-G44 PolarHBondContact N-O 3.44Å
24	K	98.4	Very high	98.2	Very high	76 Å²	76	44.4 Å²	44.4	33%	0.33	23%	0.229	S	C	.	.			trans	-76.5	132.7	173.4	-69.7	-65.3	-175.5	-177.7	0	111.1	S20 L21 P22 I26 E46 D95	S20-K24 VanDerWaalsContact O-CG 3.24Å; S20-K24 WeakPolarHBondContact O-CG 3.49Å; L21-K24 WeakPolarHBondContact O-CB 3.48Å; L21-K24 PolarHBondContact O-N 3.47Å; P22-K24 VanDerWaalsContact C-N 3.25Å; P22-K24 PolarHBondContact O-N 3.19Å; K24-I26 HydrophobicContact CB-CD1 4.42Å; K24-I26 HydrophobicContact CB-CG1 4.23Å; K24-E46 PolarHBondContact O-N 3.38Å; K24-D95 HydrophobicContact CB-CB 4.4Å; K24-D95 HydrophobicContact CD-CB 3.73Å; K24-D95 VanDerWaalsContact CD-CG 3.49Å; K24-D95 IonicContact NZ-OD1 3.03Å; K24-D95 PolarHBondContact NZ-OD1 2.97Å
25	A	98.5	Very high	98.2	Very high	20 Å²	20	47 Å²	47	17%	0.165	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.7	172.3	0	0	0	0	0	109.7	E46 P93 D95 I96	A25-E46 WeakPolarHBondContact CA-O 3.49Å; A25-P93 WeakPolarHBondContact CB-O 2.92Å; A25-D95 PolarHBondContact N-OD2 3.45Å; A25-D95 PolarHBondContact O-N 3.31Å; A25-I96 PolarHBondContact O-N 3.02Å
26	I	98.8	Very high	98.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131	-174.2	-58.1	-172.4	0	0	0	110.1	L21 K24 A40 A45 E46 V47 I48 I96 L98	L21-I26 HydrophobicContact CD2-CD1 4.18Å; K24-I26 HydrophobicContact CB-CD1 4.42Å; K24-I26 HydrophobicContact CB-CG1 4.23Å; I26-A40 HydrophobicContact CD1-CB 4.02Å; I26-A45 HydrophobicContact CD1-CB 3.6Å; I26-A45 HydrophobicContact CG1-CB 4.07Å; I26-E46 PolarHBondContact N-O 3.33Å; I26-V47 HydrophobicContact CB-CG2 4.3Å; I26-V47 CarbonylContact O-C 3.57Å; I26-V47 WeakPolarHBondContact O-CA 3.43Å; I26-I48 PolarHBondContact O-N 3.41Å; I26-I96 WeakPolarHBondContact CA-O 3.42Å; I26-I96 HydrophobicContact CD1-CD1 4.13Å; I26-I96 HydrophobicContact CG1-CB 4.16Å; I26-I96 HydrophobicContact CG1-CD1 4.42Å; I26-L98 HydrophobicContact CG2-CD1 3.53Å; I26-L98 HydrophobicContact CG2-CD2 4.4Å; I26-L98 HydrophobicContact CG2-CG 3.56Å
27	L	98.8	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.3	168.3	175.5	70.5	0	0	0	109.2	I29 I48 L79 L91 Q94 I96 I97 L98 L119	L27-I29 HydrophobicContact CD2-CG2 3.88Å; L27-I29 HydrophobicContact CG-CG2 4.05Å; L27-I48 WeakPolarHBondContact CA-O 3.49Å; L27-I48 HydrophobicContact CD1-CB 4.01Å; L27-I48 HydrophobicContact CD1-CG2 3.85Å; L27-L79 HydrophobicContact CD2-CD1 4.43Å; L27-L91 HydrophobicContact CD1-CD1 4.32Å; L27-L91 HydrophobicContact CD1-CD2 4.18Å; L27-L91 HydrophobicContact CD2-CD1 3.76Å; L27-Q94 HydrophobicContact CB-CG 3.61Å; L27-I96 PolarHBondContact N-O 3.06Å; L27-I96 VanDerWaalsContact N-O 3.1Å; L27-I97 CarbonylContact O-C 3.57Å; L27-I97 VanDerWaalsContact O-CA 3.3Å; L27-I97 WeakPolarHBondContact O-CA 3.4Å; L27-L98 PolarHBondContact O-N 3.21Å; L27-L119 HydrophobicContact CD2-CD1 3.66Å; L27-L119 HydrophobicContact CD2-CD2 4.04Å
28	E	98.9	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.2	166.7	-172.9	171.7	-156.6	0	0	109.9	A31 P36 G37 I48 L49 S50 L98	E28-A31 HydrophobicContact CB-CB 4.33Å; E28-A31 HydrophobicContact CG-CB 3.83Å; E28-P36 WeakPolarHBondContact OE1-CB 3.38Å; E28-P36 WeakPolarHBondContact OE1-CD 3.21Å; E28-P36 VanDerWaalsContact OE1-CG 3.26Å; E28-P36 WeakPolarHBondContact OE1-CG 3.43Å; E28-G37 WeakPolarHBondContact OE2-CA 3.09Å; E28-G37 PolarHBondContact OE2-N 3.19Å; E28-I48 PolarHBondContact N-O 3.47Å; E28-L49 HydrophobicContact CB-CD2 4Å; E28-L49 WeakPolarHBondContact OE2-CD2 3.45Å; E28-S50 PolarHBondContact O-N 2.86Å; E28-S50 PolarHBondContact O-OG 2.87Å; E28-L98 WeakPolarHBondContact CA-O 3.47Å; E28-L98 HydrophobicContact CB-CB 4.12Å; E28-L98 HydrophobicContact CG-CB 4.05Å
29	I	98.5	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-100.5	136	173.6	64.4	171.2	0	0	0	110.1	L27 S50 L79 I97 L98 A99 I112 V116 L119	L27-I29 HydrophobicContact CD2-CG2 3.88Å; L27-I29 HydrophobicContact CG-CG2 4.05Å; I29-S50 WeakPolarHBondContact CA-OG 3.15Å; I29-L79 HydrophobicContact CG2-CD1 4.2Å; I29-I97 HydrophobicContact CD1-CG2 4.37Å; I29-I97 HydrophobicContact CG1-CG2 4.28Å; I29-I97 HydrophobicContact CG2-CG2 4.31Å; I29-L98 PolarHBondContact N-O 3.26Å; I29-A99 HydrophobicContact CD1-CB 4.19Å; I29-A99 HydrophobicContact CG1-CB 3.75Å; I29-I112 HydrophobicContact CD1-CG2 4.45Å; I29-V116 HydrophobicContact CD1-CG2 3.8Å; I29-L119 HydrophobicContact CG2-CD1 4.48Å
30	G	97.8	Very high	98.3	Very high	15 Å²	15	21.7 Å²	21.7	16%	0.155	15%	0.145	C	C	.	.	S	Bend	trans	63.4	47.1	-174.3	0	0	0	0	0	112.2	G32 S50	G30-G32 VanDerWaalsContact C-N 3.29Å; G30-G32 PolarHBondContact O-N 3.22Å; G30-S50 PolarHBondContact N-O 2.83Å
31	A	97.8	Very high	98.3	Very high	5 Å²	5	19.2 Å²	19.2	4%	0.041	13%	0.128	C	C	.	.			trans	-65.4	-28.5	-169.5	0	0	0	0	0	113.5	E28 V33 S34 L49 S50 D51	E28-A31 HydrophobicContact CB-CB 4.33Å; E28-A31 HydrophobicContact CG-CB 3.83Å; A31-V33 PolarHBondContact O-N 2.88Å; A31-S34 WeakPolarHBondContact O-CA 3.38Å; A31-S34 PolarHBondContact O-N 3.1Å; A31-L49 HydrophobicContact CB-CB 4.26Å; A31-L49 HydrophobicContact CB-CD2 4.3Å; A31-S50 WeakPolarHBondContact CB-O 3.35Å; A31-S50 PolarHBondContact N-O 3.02Å; A31-D51 PolarHBondContact N-OD2 2.88Å
32	G	96.4	Very high	98.4	Very high	13 Å²	13	24.6 Å²	24.6	13%	0.134	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-107.7	-179.3	0	0	0	0	0	112.8	G30 D51 C62	G30-G32 VanDerWaalsContact C-N 3.29Å; G30-G32 PolarHBondContact O-N 3.22Å; G32-D51 WeakPolarHBondContact CA-OD2 3.47Å; G32-D51 PolarHBondContact N-OD2 3.48Å; G32-C62 PolarHBondContact O-SG 2.85Å
33	V	97.1	Very high	98.4	Very high	29 Å²	29	21.6 Å²	21.6	18%	0.176	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5	174.4	-58.8	0	0	0	0	113.9	M1 V3 A31 L35 V61 S65	M1-V33 HydrophobicContact CB-CG1 3.55Å; V3-V33 HydrophobicContact CB-CG2 4.4Å; V3-V33 HydrophobicContact CG2-CG2 3.72Å; A31-V33 PolarHBondContact O-N 2.88Å; V33-L35 VanDerWaalsContact C-N 3.35Å; V33-L35 PolarHBondContact O-N 2.92Å; V33-V61 HydrophobicContact CG1-CG1 3.95Å; V33-S65 WeakPolarHBondContact O-CB 3.17Å; V33-S65 PolarHBondContact O-OG 2.77Å
34	S	98.3	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.			trans	64.6	24.4	165.8	-40	0	0	0	0	116.3	A31 G37 I38 C62	A31-S34 WeakPolarHBondContact O-CA 3.38Å; A31-S34 PolarHBondContact O-N 3.1Å; S34-G37 PolarHBondContact O-N 3.43Å; S34-I38 WeakPolarHBondContact O-CB 3.4Å; S34-I38 WeakPolarHBondContact O-CG1 3.49Å; S34-I38 PolarHBondContact O-N 2.96Å; S34-C62 WeakPolarHBondContact OG-CA 3.47Å; S34-C62 PolarHBondContact OG-SG 3.42Å; S34-C62 VanDerWaalsContact OG-SG 3.41Å
35	L	98.4	Very high	98.4	Very high	55 Å²	55	18 Å²	18	29%	0.288	12%	0.116	S	C	.	.	H	α-helix	trans	-57	-51.2	-177	171.9	66.3	0	0	0	112.9	V3 A7 V8 A11 V33 L39	V3-L35 HydrophobicContact CG1-CD2 3.52Å; V3-L35 HydrophobicContact CG2-CD2 4.45Å; A7-L35 HydrophobicContact CB-CB 4.48Å; A7-L35 HydrophobicContact CB-CD2 4.38Å; V8-L35 HydrophobicContact CG2-CD2 3.9Å; A11-L35 HydrophobicContact CB-CD2 4.24Å; A11-L35 HydrophobicContact CB-CG 4.04Å; V33-L35 VanDerWaalsContact C-N 3.35Å; V33-L35 PolarHBondContact O-N 2.92Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 PolarHBondContact O-N 3.1Å
36	P	98.7	Very high	98.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-50.2	178.1	-22.5	32.8	0	0	0	112.9	A7 L10 L14 E28 I38 L39 A40 L98	A7-P36 HydrophobicContact CB-CG 4.27Å; L10-P36 HydrophobicContact CB-CG 4.24Å; L10-P36 HydrophobicContact CD2-CB 4.02Å; L10-P36 HydrophobicContact CD2-CG 4.04Å; L10-P36 HydrophobicContact CG-CB 4.13Å; L10-P36 HydrophobicContact CG-CG 4.29Å; L14-P36 HydrophobicContact CD1-CB 3.86Å; L14-P36 WeakPolarHBondContact CD1-O 3.34Å; E28-P36 WeakPolarHBondContact OE1-CB 3.38Å; E28-P36 WeakPolarHBondContact OE1-CD 3.21Å; E28-P36 VanDerWaalsContact OE1-CG 3.26Å; E28-P36 WeakPolarHBondContact OE1-CG 3.43Å; P36-I38 PolarHBondContact O-N 3.39Å; P36-L39 PolarHBondContact O-N 3.25Å; P36-A40 WeakPolarHBondContact O-CB 3.37Å; P36-A40 PolarHBondContact O-N 3.04Å; P36-L98 HydrophobicContact CB-CD1 4.16Å
37	G	98.8	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-38.1	-179.2	0	0	0	0	0	113.5	E28 S34 A40 A41	E28-G37 WeakPolarHBondContact OE2-CA 3.09Å; E28-G37 PolarHBondContact OE2-N 3.19Å; S34-G37 PolarHBondContact O-N 3.43Å; G37-A40 PolarHBondContact O-N 3.42Å; G37-A41 WeakPolarHBondContact O-CB 3.33Å; G37-A41 PolarHBondContact O-N 3.04Å
38	I	98.8	Very high	98.4	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-44.8	174.1	-75.6	170.4	0	0	0	111	S34 P36 A41 K42 S65 N69 L71	S34-I38 WeakPolarHBondContact O-CB 3.4Å; S34-I38 WeakPolarHBondContact O-CG1 3.49Å; S34-I38 PolarHBondContact O-N 2.96Å; P36-I38 PolarHBondContact O-N 3.39Å; I38-A41 PolarHBondContact O-N 2.79Å; I38-K42 HydrophobicContact CG2-CD 4.29Å; I38-K42 WeakPolarHBondContact O-CG 3.39Å; I38-K42 PolarHBondContact O-N 3.49Å; I38-S65 WeakPolarHBondContact CD1-O 3.39Å; I38-N69 HydrophobicContact CD1-CB 4.32Å; I38-N69 HydrophobicContact CG2-CB 3.77Å; I38-L71 HydrophobicContact CG2-CD1 4.12Å
39	L	98.7	Very high	98.4	Very high	34 Å²	34	24.6 Å²	24.6	18%	0.178	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-44.5	177.5	178.3	67.7	0	0	0	111.2	A11 L14 W15 L35 P36 A41 K42 C43	A11-L39 HydrophobicContact CB-CD2 3.69Å; A11-L39 WeakPolarHBondContact O-CD2 3.37Å; L14-L39 HydrophobicContact CB-CD2 4.18Å; W15-L39 HydrophobicContact CB-CD2 4.06Å; W15-L39 HydrophobicContact CE3-CD1 4.14Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 PolarHBondContact O-N 3.1Å; P36-L39 PolarHBondContact O-N 3.25Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 2.82Å; L39-K42 PolarHBondContact O-N 3.45Å; L39-C43 PolarHBondContact O-N 3.09Å; L39-C43 PolarHBondContact O-SG 2.86Å
40	A	98.8	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-44.9	177	0	0	0	0	0	111.6	L14 L21 I26 P36 G37 K42 C43 G44 A45 V47	L14-A40 HydrophobicContact CD1-CB 4.27Å; L14-A40 HydrophobicContact CD2-CB 4.37Å; L21-A40 HydrophobicContact CD1-CB 4.48Å; I26-A40 HydrophobicContact CD1-CB 4.02Å; P36-A40 WeakPolarHBondContact O-CB 3.37Å; P36-A40 PolarHBondContact O-N 3.04Å; G37-A40 PolarHBondContact O-N 3.42Å; A40-K42 PolarHBondContact O-N 2.94Å; A40-C43 CarbonylContact O-C 3.49Å; A40-C43 WeakPolarHBondContact O-CA 3.49Å; A40-C43 WeakPolarHBondContact O-CB 3.32Å; A40-C43 PolarHBondContact O-N 2.95Å; A40-G44 PolarHBondContact O-N 3.04Å; A40-A45 HydrophobicContact CB-CB 4.25Å; A40-A45 WeakPolarHBondContact O-CB 3.47Å; A40-A45 PolarHBondContact O-N 3.27Å; A40-A45 VanDerWaalsContact O-N 3.11Å; A40-V47 HydrophobicContact CB-CG2 4.01Å
41	A	98.8	Very high	98.4	Very high	14 Å²	14	24.8 Å²	24.8	12%	0.116	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-41.5	175.7	0	0	0	0	0	112.3	G37 I38 L39 C43 G44 V47 L71 L74	G37-A41 WeakPolarHBondContact O-CB 3.33Å; G37-A41 PolarHBondContact O-N 3.04Å; I38-A41 PolarHBondContact O-N 2.79Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 2.82Å; A41-C43 PolarHBondContact O-N 2.85Å; A41-G44 PolarHBondContact O-N 2.65Å; A41-V47 HydrophobicContact CB-CB 4.19Å; A41-V47 HydrophobicContact CB-CG2 3.75Å; A41-L71 HydrophobicContact CB-CD1 3.8Å; A41-L74 HydrophobicContact CB-CD1 4.13Å; A41-L74 HydrophobicContact CB-CD2 3.79Å; A41-L74 HydrophobicContact CB-CG 4.34Å
42	K	98.6	Very high	98.4	Very high	112 Å²	112	25.7 Å²	25.7	49%	0.487	15%	0.147	S	C	.	.	H	α-helix	trans	-63.4	-24.7	173.4	-73.6	-177.7	-178.9	-67.3	0	112.9	I38 L39 A40 G44 N69 L71	I38-K42 HydrophobicContact CG2-CD 4.29Å; I38-K42 WeakPolarHBondContact O-CG 3.39Å; I38-K42 PolarHBondContact O-N 3.49Å; L39-K42 PolarHBondContact O-N 3.45Å; A40-K42 PolarHBondContact O-N 2.94Å; K42-G44 VanDerWaalsContact C-N 3.28Å; K42-N69 WeakPolarHBondContact CE-OD1 3.45Å; K42-N69 PolarHBondContact NZ-O 3.37Å; K42-L71 HydrophobicContact CG-CD1 4.1Å
43	C	98.6	Very high	98.3	Very high	20 Å²	20	27.7 Å²	27.7	14%	0.135	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.4	172.9	-61.9	0	0	0	0	113.5	R18 L21 L39 A40 A41	R18-C43 HydrophobicContact CB-CB 4.1Å; L21-C43 HydrophobicContact CB-CB 4.12Å; L21-C43 HydrophobicContact CD1-CB 3.76Å; L39-C43 PolarHBondContact O-N 3.09Å; L39-C43 PolarHBondContact O-SG 2.86Å; A40-C43 CarbonylContact O-C 3.49Å; A40-C43 WeakPolarHBondContact O-CA 3.49Å; A40-C43 WeakPolarHBondContact O-CB 3.32Å; A40-C43 PolarHBondContact O-N 2.95Å; A41-C43 PolarHBondContact O-N 2.85Å
44	G	98.5	Very high	98.3	Very high	40 Å²	40	32.2 Å²	32.2	41%	0.412	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	11.1	174.5	0	0	0	0	0	115.5	P22 G23 A40 A41 K42	P22-G44 WeakPolarHBondContact CA-O 3.35Å; G23-G44 PolarHBondContact N-O 3.44Å; A40-G44 PolarHBondContact O-N 3.04Å; A41-G44 PolarHBondContact O-N 2.65Å; K42-G44 VanDerWaalsContact C-N 3.28Å
45	A	98.7	Very high	98.1	Very high	11 Å²	11	36.9 Å²	36.9	9%	0.091	20%	0.203	C	C	.	.			trans	-73.5	155.1	171.5	0	0	0	0	0	112	L21 I26 A40 V47	L21-A45 HydrophobicContact CB-CB 4.42Å; L21-A45 WeakPolarHBondContact O-CA 3.2Å; I26-A45 HydrophobicContact CD1-CB 3.6Å; I26-A45 HydrophobicContact CG1-CB 4.07Å; A40-A45 HydrophobicContact CB-CB 4.25Å; A40-A45 WeakPolarHBondContact O-CB 3.47Å; A40-A45 PolarHBondContact O-N 3.27Å; A40-A45 VanDerWaalsContact O-N 3.11Å; A45-V47 HydrophobicContact CB-CG2 3.91Å
46	E	98.6	Very high	97.9	Very high	136 Å²	136	38.6 Å²	38.6	64%	0.636	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	100	170.4	-63.8	-175.6	178.1	0	0	108.7	K24 A25 I26	K24-E46 PolarHBondContact O-N 3.38Å; A25-E46 WeakPolarHBondContact CA-O 3.49Å; I26-E46 PolarHBondContact N-O 3.33Å
47	V	98.8	Very high	97.8	Very high	12 Å²	12	44.6 Å²	44.6	7%	0.073	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.6	-168.2	-177	0	0	0	0	112.2	I26 A40 A41 A45 L49 L74	I26-V47 HydrophobicContact CB-CG2 4.3Å; I26-V47 CarbonylContact O-C 3.57Å; I26-V47 WeakPolarHBondContact O-CA 3.43Å; A40-V47 HydrophobicContact CB-CG2 4.01Å; A41-V47 HydrophobicContact CB-CB 4.19Å; A41-V47 HydrophobicContact CB-CG2 3.75Å; A45-V47 HydrophobicContact CB-CG2 3.91Å; V47-L49 HydrophobicContact CG1-CD2 3.78Å; V47-L49 HydrophobicContact CG1-CG 4.27Å; V47-L74 HydrophobicContact CB-CD2 4.48Å
48	I	98.8	Very high	97.6	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.062	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127	162.7	-57	177.9	0	0	0	107.7	I26 L27 E28 Q75 V77 L91 P92	I26-I48 PolarHBondContact O-N 3.41Å; L27-I48 WeakPolarHBondContact CA-O 3.49Å; L27-I48 HydrophobicContact CD1-CB 4.01Å; L27-I48 HydrophobicContact CD1-CG2 3.85Å; E28-I48 PolarHBondContact N-O 3.47Å; I48-Q75 HydrophobicContact CG1-CB 4.29Å; I48-Q75 HydrophobicContact CG2-CB 4.3Å; I48-V77 HydrophobicContact CG2-CG1 4.15Å; I48-V77 HydrophobicContact CG2-CG2 3.84Å; I48-L91 HydrophobicContact CD1-CD2 3.87Å; I48-L91 HydrophobicContact CG2-CD2 4.09Å; I48-P92 HydrophobicContact CD1-CG 3.78Å
49	L	98.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.1	173.1	-57	174.2	0	0	0	109.4	E28 A31 V47 C62 C66 L74 Q75 V76 V77	E28-L49 HydrophobicContact CB-CD2 4Å; E28-L49 WeakPolarHBondContact OE2-CD2 3.45Å; A31-L49 HydrophobicContact CB-CB 4.26Å; A31-L49 HydrophobicContact CB-CD2 4.3Å; V47-L49 HydrophobicContact CG1-CD2 3.78Å; V47-L49 HydrophobicContact CG1-CG 4.27Å; L49-C62 HydrophobicContact CD1-CB 4.48Å; L49-C66 WeakPolarHBondContact CD1-SG 3.4Å; L49-L74 HydrophobicContact CD1-CD2 4.37Å; L49-Q75 PolarHBondContact N-O 2.84Å; L49-V76 HydrophobicContact CB-CG2 4.3Å; L49-V76 HydrophobicContact CD1-CG2 4.35Å; L49-V76 WeakPolarHBondContact O-CA 3.36Å; L49-V77 PolarHBondContact O-N 3.14Å
50	S	98.6	Very high	97.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.5	175.4	69.1	0	0	0	0	112.5	E28 I29 G30 A31 V77	E28-S50 PolarHBondContact O-N 2.86Å; E28-S50 PolarHBondContact O-OG 2.87Å; I29-S50 WeakPolarHBondContact CA-OG 3.15Å; G30-S50 PolarHBondContact N-O 2.83Å; A31-S50 WeakPolarHBondContact CB-O 3.35Å; A31-S50 PolarHBondContact N-O 3.02Å; S50-V77 VanDerWaalsContact CA-O 3.28Å; S50-V77 WeakPolarHBondContact CA-O 3.23Å; S50-V77 WeakPolarHBondContact CB-O 3.35Å
51	D	98	Very high	97.4	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.102	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	175.2	175.1	-147.6	-68.9	0	0	0	109.2	A31 G32 S53 C58 L59 V77 L79	A31-D51 PolarHBondContact N-OD2 2.88Å; G32-D51 WeakPolarHBondContact CA-OD2 3.47Å; G32-D51 PolarHBondContact N-OD2 3.48Å; D51-S53 PolarHBondContact O-N 2.91Å; D51-C58 HydrophobicContact CB-CB 3.98Å; D51-C58 VanDerWaalsContact OD1-CB 3.25Å; D51-C58 WeakPolarHBondContact OD1-CB 3.31Å; D51-L59 HydrophobicContact CB-CD2 3.94Å; D51-V77 PolarHBondContact N-O 3.05Å; D51-L79 CarbonylContact C-O 3.59Å; D51-L79 CarbonylContact O-C 3.6Å; D51-L79 PolarHBondContact O-N 2.85Å
52	S	97	Very high	97.4	Very high	23 Å²	23	47.9 Å²	47.9	16%	0.161	26%	0.261	C	S	.	.			trans	-56	124.7	-173.3	177.9	0	0	0	0	112.1	E54 L55 T80	S52-E54 PolarHBondContact O-N 2.84Å; S52-E54 PolarHBondContact OG-N 3.22Å; S52-L55 PolarHBondContact O-N 2.92Å; S52-L55 VanDerWaalsContact O-N 3.17Å; S52-T80 PolarHBondContact OG-OG1 2.76Å
53	S	95.8	Very high	97.4	Very high	56 Å²	56	47.4 Å²	47.4	39%	0.392	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.1	175	64.5	0	0	0	0	112.8	D51 L55 T80	D51-S53 PolarHBondContact O-N 2.91Å; S53-L55 VanDerWaalsContact C-N 3.32Å; S53-T80 PolarHBondContact N-OG1 3.13Å; S53-T80 VanDerWaalsContact N-OG1 3.16Å; S53-T80 PolarHBondContact OG-OG1 3.35Å
54	E	95.6	Very high	97.3	Very high	123 Å²	123	50.4 Å²	50.4	58%	0.575	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.3	179.4	-60.7	-179.8	175.8	0	0	112.5	S52 P56 H83	S52-E54 PolarHBondContact O-N 2.84Å; S52-E54 PolarHBondContact OG-N 3.22Å; E54-P56 VanDerWaalsContact O-CD 3.31Å; E54-P56 WeakPolarHBondContact O-CD 3.18Å; E54-H83 IonicContact OE1-CE1 3.21Å; E54-H83 PolarHBondContact OE1-CE1 2.86Å; E54-H83 IonicContact OE1-ND1 3.64Å
55	L	94.5	Very high	97.3	Very high	99 Å²	99	49.3 Å²	49.3	52%	0.518	25%	0.254	S	S	.	.			trans	-119.2	78.3	178.5	-60	177.8	0	0	0	110.4	S52 S53 H57 C58	S52-L55 PolarHBondContact O-N 2.92Å; S52-L55 VanDerWaalsContact O-N 3.17Å; S53-L55 VanDerWaalsContact C-N 3.32Å; L55-H57 PolarHBondContact O-N 3.29Å; L55-C58 HydrophobicContact CB-CB 4.35Å; L55-C58 WeakPolarHBondContact O-CB 3.41Å; L55-C58 PolarHBondContact O-N 2.7Å
56	P	93.9	Very high	97.3	Very high	91 Å²	91	48.9 Å²	48.9	59%	0.591	25%	0.25	S	S	*	.	H	α-helix	trans	-54.4	-28.5	-177.1	-27.8	34.3	0	0	0	114.5	E54 C58 L59 E60	E54-P56 VanDerWaalsContact O-CD 3.31Å; E54-P56 WeakPolarHBondContact O-CD 3.18Å; P56-C58 VanDerWaalsContact C-N 3.31Å; P56-C58 PolarHBondContact O-N 3.26Å; P56-L59 PolarHBondContact O-N 3.1Å; P56-E60 PolarHBondContact O-N 2.69Å
57	H	96.3	Very high	97.3	Very high	127 Å²	127	48.1 Å²	48.1	59%	0.588	25%	0.247	S	C	*	.	H	α-helix	trans	-62.6	-35.5	175.8	-176.1	58.5	0	0	0	112.5	L55 E60 V61	L55-H57 PolarHBondContact O-N 3.29Å; H57-E60 PolarHBondContact O-N 2.95Å; H57-V61 WeakPolarHBondContact O-CG2 3.32Å; H57-V61 PolarHBondContact O-N 3.38Å
58	C	95.1	Very high	97.3	Very high	19 Å²	19	55 Å²	55	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-42.8	177.5	-61.8	0	0	0	0	111.7	M1 D51 L55 P56 E60 V61 C62	M1-C58 HydrophobicContact CE-CB 4.04Å; D51-C58 HydrophobicContact CB-CB 3.98Å; D51-C58 VanDerWaalsContact OD1-CB 3.25Å; D51-C58 WeakPolarHBondContact OD1-CB 3.31Å; L55-C58 HydrophobicContact CB-CB 4.35Å; L55-C58 WeakPolarHBondContact O-CB 3.41Å; L55-C58 PolarHBondContact O-N 2.7Å; P56-C58 VanDerWaalsContact C-N 3.31Å; P56-C58 PolarHBondContact O-N 3.26Å; C58-E60 VanDerWaalsContact C-N 3.32Å; C58-E60 PolarHBondContact O-N 2.86Å; C58-V61 PolarHBondContact O-N 2.96Å; C58-C62 PolarHBondContact O-N 2.88Å; C58-C62 PolarHBondContact O-SG 3.26Å
59	L	97.5	Very high	97.2	Very high	18 Å²	18	57.1 Å²	57.1	9%	0.094	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-38.5	174.6	-59	177.4	0	0	0	112	D51 P56 C62 R63 V76 V77	D51-L59 HydrophobicContact CB-CD2 3.94Å; P56-L59 PolarHBondContact O-N 3.1Å; L59-C62 WeakPolarHBondContact O-CB 3.44Å; L59-C62 PolarHBondContact O-N 3.04Å; L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-N 3.33Å; L59-R63 VanDerWaalsContact O-N 3.08Å; L59-V76 HydrophobicContact CB-CG1 4.29Å; L59-V76 HydrophobicContact CD2-CG1 3.98Å; L59-V77 WeakPolarHBondContact CD2-O 3.37Å
60	E	97.7	Very high	97.2	Very high	73 Å²	73	63.7 Å²	63.7	34%	0.341	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.1	-178.6	55.7	-156.4	0	0	111.8	P56 H57 C58 C62 R63 Q64	P56-E60 PolarHBondContact O-N 2.69Å; H57-E60 PolarHBondContact O-N 2.95Å; C58-E60 VanDerWaalsContact C-N 3.32Å; C58-E60 PolarHBondContact O-N 2.86Å; E60-C62 VanDerWaalsContact C-N 3.34Å; E60-C62 PolarHBondContact O-N 2.8Å; E60-R63 PolarHBondContact O-N 3.48Å; E60-Q64 HydrophobicContact CG-CG 4.48Å; E60-Q64 WeakPolarHBondContact O-CG 3.41Å; E60-Q64 PolarHBondContact O-N 2.84Å; E60-Q64 PolarHBondContact OE1-NE2 3.46Å
61	V	97.8	Very high	97.2	Very high	15 Å²	15	64.6 Å²	64.6	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-39.2	175.9	170	0	0	0	0	111.9	M1 V33 H57 C58 R63 Q64 S65	M1-V61 HydrophobicContact CE-CB 3.55Å; M1-V61 HydrophobicContact CE-CG1 3.69Å; M1-V61 HydrophobicContact CE-CG2 3.73Å; V33-V61 HydrophobicContact CG1-CG1 3.95Å; H57-V61 WeakPolarHBondContact O-CG2 3.32Å; H57-V61 PolarHBondContact O-N 3.38Å; C58-V61 PolarHBondContact O-N 2.96Å; V61-R63 PolarHBondContact O-N 3.44Å; V61-Q64 PolarHBondContact O-N 3.23Å; V61-S65 WeakPolarHBondContact O-CB 3.38Å; V61-S65 PolarHBondContact O-N 2.88Å; V61-S65 PolarHBondContact O-OG 2.93Å
62	C	97.9	Very high	97.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-48.3	172.1	-69.1	0	0	0	0	111.1	G32 S34 L49 C58 L59 E60 Q64 S65 C66 V76	G32-C62 PolarHBondContact O-SG 2.85Å; S34-C62 WeakPolarHBondContact OG-CA 3.47Å; S34-C62 PolarHBondContact OG-SG 3.42Å; S34-C62 VanDerWaalsContact OG-SG 3.41Å; L49-C62 HydrophobicContact CD1-CB 4.48Å; C58-C62 PolarHBondContact O-N 2.88Å; C58-C62 PolarHBondContact O-SG 3.26Å; L59-C62 WeakPolarHBondContact O-CB 3.44Å; L59-C62 PolarHBondContact O-N 3.04Å; E60-C62 VanDerWaalsContact C-N 3.34Å; E60-C62 PolarHBondContact O-N 2.8Å; C62-Q64 PolarHBondContact O-N 3.26Å; C62-S65 PolarHBondContact O-N 3.46Å; C62-C66 PolarHBondContact O-N 3.47Å; C62-C66 PolarHBondContact O-SG 3.05Å; C62-C66 VanDerWaalsContact O-SG 3.35Å; C62-V76 HydrophobicContact CB-CG1 3.72Å; C62-V76 HydrophobicContact CB-CG2 4.09Å
63	R	98.4	Very high	97.2	Very high	102 Å²	102	73.3 Å²	73.3	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-42.2	178.6	-69.5	-177.6	-167.8	107.5	6.8	112.5	L59 E60 V61 S65 C66 Q67 V76	L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-N 3.33Å; L59-R63 VanDerWaalsContact O-N 3.08Å; E60-R63 PolarHBondContact O-N 3.48Å; V61-R63 PolarHBondContact O-N 3.44Å; R63-S65 VanDerWaalsContact C-N 3.35Å; R63-C66 WeakPolarHBondContact O-CB 3.3Å; R63-C66 PolarHBondContact O-N 3.44Å; R63-Q67 WeakPolarHBondContact O-CG 3.41Å; R63-Q67 PolarHBondContact O-N 3.07Å; R63-V76 HydrophobicContact CG-CB 4Å; R63-V76 HydrophobicContact CG-CG1 4.29Å; R63-V76 HydrophobicContact CG-CG2 3.78Å
64	Q	98.1	Very high	97.3	Very high	82 Å²	82	71.7 Å²	71.7	38%	0.383	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-43.4	175.6	-72.4	175.9	-1.9	0	0	111.2	E60 V61 C62 C66 Q67 M68	E60-Q64 HydrophobicContact CG-CG 4.48Å; E60-Q64 WeakPolarHBondContact O-CG 3.41Å; E60-Q64 PolarHBondContact O-N 2.84Å; E60-Q64 PolarHBondContact OE1-NE2 3.46Å; V61-Q64 PolarHBondContact O-N 3.23Å; C62-Q64 PolarHBondContact O-N 3.26Å; Q64-C66 VanDerWaalsContact C-N 3.32Å; Q64-C66 PolarHBondContact O-N 3.04Å; Q64-Q67 PolarHBondContact O-N 2.85Å; Q64-M68 WeakPolarHBondContact O-CB 3.39Å; Q64-M68 VanDerWaalsContact O-CG 3.29Å; Q64-M68 WeakPolarHBondContact O-CG 3.48Å; Q64-M68 PolarHBondContact O-N 2.86Å
65	S	98.1	Very high	97.4	Very high	17 Å²	17	71.5 Å²	71.5	12%	0.119	36%	0.363	C	S	.	.	H	α-helix	trans	-60.7	-42.5	177.1	-56.1	0	0	0	0	111.1	V33 I38 V61 C62 R63 N69	V33-S65 WeakPolarHBondContact O-CB 3.17Å; V33-S65 PolarHBondContact O-OG 2.77Å; I38-S65 WeakPolarHBondContact CD1-O 3.39Å; V61-S65 WeakPolarHBondContact O-CB 3.38Å; V61-S65 PolarHBondContact O-N 2.88Å; V61-S65 PolarHBondContact O-OG 2.93Å; C62-S65 PolarHBondContact O-N 3.46Å; R63-S65 VanDerWaalsContact C-N 3.35Å; S65-N69 WeakPolarHBondContact O-CB 3.21Å; S65-N69 PolarHBondContact O-N 2.88Å; S65-N69 VanDerWaalsContact O-N 3.17Å; S65-N69 PolarHBondContact O-ND2 3.5Å
66	C	98.4	Very high	97.6	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.02	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-49.2	171.9	-71.3	0	0	0	0	112.6	L49 C62 R63 Q64 N69 N70 L71	L49-C66 WeakPolarHBondContact CD1-SG 3.4Å; C62-C66 PolarHBondContact O-N 3.47Å; C62-C66 PolarHBondContact O-SG 3.05Å; C62-C66 VanDerWaalsContact O-SG 3.35Å; R63-C66 WeakPolarHBondContact O-CB 3.3Å; R63-C66 PolarHBondContact O-N 3.44Å; Q64-C66 VanDerWaalsContact C-N 3.32Å; Q64-C66 PolarHBondContact O-N 3.04Å; C66-N69 CarbonylContact O-C 3.29Å; C66-N69 PolarHBondContact O-N 2.78Å; C66-N70 PolarHBondContact O-N 3.45Å; C66-L71 WeakPolarHBondContact CB-O 3.21Å; C66-L71 CarbonylContact O-C 2.95Å; C66-L71 WeakPolarHBondContact O-CA 3.45Å; C66-L71 PolarHBondContact O-N 3.3Å
67	Q	98.3	Very high	97.8	Very high	120 Å²	120	64.7 Å²	64.7	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-60.6	-48.5	179.5	-72.3	174.1	9.4	0	0	111.8	R63 Q64 N69 N70	R63-Q67 WeakPolarHBondContact O-CG 3.41Å; R63-Q67 PolarHBondContact O-N 3.07Å; Q64-Q67 PolarHBondContact O-N 2.85Å; Q67-N69 PolarHBondContact O-N 2.62Å; Q67-N69 VanDerWaalsContact O-N 3.14Å; Q67-N70 PolarHBondContact O-N 2.85Å
68	M	98	Very high	97.8	Very high	156 Å²	156	59.1 Å²	59.1	77%	0.768	30%	0.3	S	S	*	.	H	α-helix	trans	-61.6	-23.4	179.1	-69	178	74.9	0	0	112.8	Q64	Q64-M68 WeakPolarHBondContact O-CB 3.39Å; Q64-M68 VanDerWaalsContact O-CG 3.29Å; Q64-M68 WeakPolarHBondContact O-CG 3.48Å; Q64-M68 PolarHBondContact O-N 2.86Å
69	N	98.3	Very high	98	Very high	57 Å²	57	58.3 Å²	58.3	31%	0.305	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	10.3	179.1	-78.8	-83.9	0	0	0	114.3	I38 K42 S65 C66 Q67 L71	I38-N69 HydrophobicContact CD1-CB 4.32Å; I38-N69 HydrophobicContact CG2-CB 3.77Å; K42-N69 WeakPolarHBondContact CE-OD1 3.45Å; K42-N69 PolarHBondContact NZ-O 3.37Å; S65-N69 WeakPolarHBondContact O-CB 3.21Å; S65-N69 PolarHBondContact O-N 2.88Å; S65-N69 VanDerWaalsContact O-N 3.17Å; S65-N69 PolarHBondContact O-ND2 3.5Å; C66-N69 CarbonylContact O-C 3.29Å; C66-N69 PolarHBondContact O-N 2.78Å; Q67-N69 PolarHBondContact O-N 2.62Å; Q67-N69 VanDerWaalsContact O-N 3.14Å; N69-L71 VanDerWaalsContact C-N 3.32Å
70	N	98.4	Very high	98	Very high	138 Å²	138	58.2 Å²	58.2	74%	0.738	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	39.3	-176.6	-55.2	-64	0	0	0	113.3	C66 Q67	C66-N70 PolarHBondContact O-N 3.45Å; Q67-N70 PolarHBondContact O-N 2.85Å
71	L	98.3	Very high	97.9	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.094	29%	0.287	C	S	.	.			trans	-127.1	43.8	179.6	-70.7	177.4	0	0	0	112.4	I38 A41 K42 C66 N69 Q73 L74	I38-L71 HydrophobicContact CG2-CD1 4.12Å; A41-L71 HydrophobicContact CB-CD1 3.8Å; K42-L71 HydrophobicContact CG-CD1 4.1Å; C66-L71 WeakPolarHBondContact CB-O 3.21Å; C66-L71 CarbonylContact O-C 2.95Å; C66-L71 WeakPolarHBondContact O-CA 3.45Å; C66-L71 PolarHBondContact O-N 3.3Å; N69-L71 VanDerWaalsContact C-N 3.32Å; L71-Q73 PolarHBondContact O-N 3.07Å; L71-L74 HydrophobicContact CB-CD1 3.8Å; L71-L74 HydrophobicContact CB-CD2 4.12Å; L71-L74 HydrophobicContact CB-CG 4.45Å; L71-L74 HydrophobicContact CD1-CD1 4.38Å; L71-L74 HydrophobicContact CD1-CD2 4Å; L71-L74 HydrophobicContact CD2-CD1 4.05Å; L71-L74 HydrophobicContact CG-CD1 4.3Å; L71-L74 PolarHBondContact O-N 3.2Å; L71-L74 VanDerWaalsContact O-N 3.13Å
72	P	97.5	Very high	97.9	Very high	96 Å²	96	57.2 Å²	57.2	62%	0.623	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.6	-173.9	30.2	-38.3	0	0	0	114.2
73	Q	96.7	Very high	97.8	Very high	130 Å²	130	61.7 Å²	61.7	61%	0.607	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.3	179.3	76.4	-74.9	-0.1	0	0	114.4	L71 Q75	L71-Q73 PolarHBondContact O-N 3.07Å; Q73-Q75 PolarHBondContact O-N 3.17Å
74	L	97.8	Very high	97.5	Very high	22 Å²	22	61.8 Å²	61.8	12%	0.115	33%	0.327	C	S	.	.	S	Bend	trans	-62.8	132.5	178.9	-93.7	54.7	0	0	0	109.9	A41 V47 L49 L71	A41-L74 HydrophobicContact CB-CD1 4.13Å; A41-L74 HydrophobicContact CB-CD2 3.79Å; A41-L74 HydrophobicContact CB-CG 4.34Å; V47-L74 HydrophobicContact CB-CD2 4.48Å; L49-L74 HydrophobicContact CD1-CD2 4.37Å; L71-L74 HydrophobicContact CB-CD1 3.8Å; L71-L74 HydrophobicContact CB-CD2 4.12Å; L71-L74 HydrophobicContact CB-CG 4.45Å; L71-L74 HydrophobicContact CD1-CD1 4.38Å; L71-L74 HydrophobicContact CD1-CD2 4Å; L71-L74 HydrophobicContact CD2-CD1 4.05Å; L71-L74 HydrophobicContact CG-CD1 4.3Å; L71-L74 PolarHBondContact O-N 3.2Å; L71-L74 VanDerWaalsContact O-N 3.13Å
75	Q	98.1	Very high	97.2	Very high	118 Å²	118	59.2 Å²	59.2	55%	0.551	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.7	178	-64.1	-175.5	-20.4	0	0	109.6	I48 L49 Q73	I48-Q75 HydrophobicContact CG1-CB 4.29Å; I48-Q75 HydrophobicContact CG2-CB 4.3Å; L49-Q75 PolarHBondContact N-O 2.84Å; Q73-Q75 PolarHBondContact O-N 3.17Å
76	V	98.4	Very high	96.9	Very high	22 Å²	22	68.8 Å²	68.8	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.7	174	-178.3	0	0	0	0	107.9	L49 L59 C62 R63	L49-V76 HydrophobicContact CB-CG2 4.3Å; L49-V76 HydrophobicContact CD1-CG2 4.35Å; L49-V76 WeakPolarHBondContact O-CA 3.36Å; L59-V76 HydrophobicContact CB-CG1 4.29Å; L59-V76 HydrophobicContact CD2-CG1 3.98Å; C62-V76 HydrophobicContact CB-CG1 3.72Å; C62-V76 HydrophobicContact CB-CG2 4.09Å; R63-V76 HydrophobicContact CG-CB 4Å; R63-V76 HydrophobicContact CG-CG1 4.29Å; R63-V76 HydrophobicContact CG-CG2 3.78Å
77	V	97.9	Very high	96.6	Very high	26 Å²	26	72.7 Å²	72.7	16%	0.158	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.2	-175.8	-57.8	0	0	0	0	111.7	I48 L49 S50 D51 L59 L91	I48-V77 HydrophobicContact CG2-CG1 4.15Å; I48-V77 HydrophobicContact CG2-CG2 3.84Å; L49-V77 PolarHBondContact O-N 3.14Å; S50-V77 VanDerWaalsContact CA-O 3.28Å; S50-V77 WeakPolarHBondContact CA-O 3.23Å; S50-V77 WeakPolarHBondContact CB-O 3.35Å; D51-V77 PolarHBondContact N-O 3.05Å; L59-V77 WeakPolarHBondContact CD2-O 3.37Å; V77-L91 HydrophobicContact CG2-CD2 4.39Å
78	G	97.8	Very high	96.4	Very high	9 Å²	9	67.1 Å²	67.1	9%	0.093	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.8	173.9	0	0	0	0	0	110.8
79	L	97.8	Very high	96.2	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.016	33%	0.327	C	S	.	.			trans	-140	99.1	178.6	-163.1	167.8	0	0	0	108.7	L27 I29 D51 L88 L91 T115	L27-L79 HydrophobicContact CD2-CD1 4.43Å; I29-L79 HydrophobicContact CG2-CD1 4.2Å; D51-L79 CarbonylContact C-O 3.59Å; D51-L79 CarbonylContact O-C 3.6Å; D51-L79 PolarHBondContact O-N 2.85Å; L79-L88 HydrophobicContact CD1-CD1 3.78Å; L79-L88 HydrophobicContact CG-CD1 4.25Å; L79-L91 HydrophobicContact CD1-CD1 4.32Å; L79-T115 HydrophobicContact CD2-CG2 3.65Å
80	T	97.6	Very high	96.1	Very high	16 Å²	16	64.3 Å²	64.3	10%	0.098	35%	0.345	C	S	.	.			trans	-82.9	129.9	168.1	-56.9	0	0	0	0	108.7	S52 S53 H83	S52-T80 PolarHBondContact OG-OG1 2.76Å; S53-T80 PolarHBondContact N-OG1 3.13Å; S53-T80 VanDerWaalsContact N-OG1 3.16Å; S53-T80 PolarHBondContact OG-OG1 3.35Å; T80-H83 PolarHBondContact O-N 3.01Å
81	W	97.5	Very high	96	Very high	42 Å²	42	58.1 Å²	58.1	16%	0.159	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	147.6	179.4	-52.8	-38.6	0	0	0	111.2	H83 V102 F104 D108 D111 I112 T115	W81-H83 PolarHBondContact O-N 3.41Å; W81-V102 HydrophobicContact CH2-CB 3.88Å; W81-V102 HydrophobicContact CH2-CG1 4.13Å; W81-V102 HydrophobicContact CZ2-CB 3.8Å; W81-V102 HydrophobicContact CZ2-CG1 3.68Å; W81-F104 HydrophobicContact CH2-CE1 4.19Å; W81-F104 HydrophobicContact CZ3-CE1 4.45Å; W81-D108 HydrophobicContact CE3-CB 4.14Å; W81-D108 HydrophobicContact CZ3-CB 4.22Å; W81-D111 HydrophobicContact CB-CB 4.11Å; W81-I112 HydrophobicContact CB-CG1 4.26Å; W81-I112 HydrophobicContact CD2-CD1 4.3Å; W81-I112 HydrophobicContact CD2-CG1 3.48Å; W81-I112 VanDerWaalsContact CD2-CG1 3.48Å; W81-I112 HydrophobicContact CE3-CD1 3.84Å; W81-I112 HydrophobicContact CE3-CG1 3.44Å; W81-I112 VanDerWaalsContact CE3-CG1 3.44Å; W81-I112 HydrophobicContact CG-CG1 3.87Å; W81-I112 HydrophobicContact CH2-CD1 4.27Å; W81-I112 HydrophobicContact CH2-CG1 4.43Å; W81-I112 HydrophobicContact CZ2-CG1 4.48Å; W81-I112 HydrophobicContact CZ3-CD1 3.82Å; W81-I112 HydrophobicContact CZ3-CG1 3.94Å; W81-T115 WeakPolarHBondContact CA-OG1 3.33Å
82	G	96.6	Very high	95.9	Very high	25 Å²	25	60.3 Å²	60.3	26%	0.258	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-15.6	-177.8	0	0	0	0	0	114.4	D111 T115	G82-D111 PolarHBondContact N-O 3.18Å; G82-D111 VanDerWaalsContact N-O 3.13Å; G82-T115 PolarHBondContact N-OG1 3.45Å
83	H	95.9	Very high	95.8	Very high	94 Å²	94	60.1 Å²	60.1	44%	0.435	33%	0.326	S	S	.	.			trans	-94.9	127.7	-177.8	-69	-167	0	0	0	111.8	E54 T80 W81 S85	E54-H83 IonicContact OE1-CE1 3.21Å; E54-H83 PolarHBondContact OE1-CE1 2.86Å; E54-H83 IonicContact OE1-ND1 3.64Å; T80-H83 PolarHBondContact O-N 3.01Å; W81-H83 PolarHBondContact O-N 3.41Å; H83-S85 PolarHBondContact O-N 3.12Å
84	V	92.1	Very high	95.8	Very high	104 Å²	104	54.5 Å²	54.5	63%	0.63	30%	0.3	S	S	*	.			trans	-85.6	88.4	171.5	-175.3	0	0	0	0	109.3	L89	V84-L89 HydrophobicContact CG1-CD1 4.26Å; V84-L89 HydrophobicContact CG1-CD2 3.81Å; V84-L89 HydrophobicContact CG1-CG 4.04Å
85	S	92.1	Very high	95.8	Very high	27 Å²	27	56.6 Å²	56.6	19%	0.189	31%	0.311	C	S	.	.			trans	-89.5	160.9	176.9	73.6	0	0	0	0	112.5	H83 D87 L88 L89	H83-S85 PolarHBondContact O-N 3.12Å; S85-D87 PolarHBondContact O-N 2.87Å; S85-L88 PolarHBondContact O-N 3.25Å; S85-L88 PolarHBondContact OG-N 3.4Å; S85-L88 VanDerWaalsContact OG-N 3.12Å; S85-L89 WeakPolarHBondContact O-CG 3.46Å; S85-L89 PolarHBondContact O-N 2.91Å
86	W	91.8	Very high	95.9	Very high	219 Å²	219	51.6 Å²	51.6	83%	0.83	29%	0.288	S	S	*	.	H	α-helix	trans	-59.3	-36.7	171.3	-74	111.3	0	0	0	112.4	L89 A90	W86-L89 HydrophobicContact CE3-CD1 4.08Å; W86-L89 HydrophobicContact CZ3-CD1 4.26Å; W86-L89 PolarHBondContact O-N 3.32Å; W86-A90 WeakPolarHBondContact O-CB 3.37Å; W86-A90 PolarHBondContact O-N 2.86Å
87	D	91.4	Very high	95.9	Very high	84 Å²	84	50.5 Å²	50.5	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.4	-67.2	-50.7	0	0	0	111	S85 L89 A90 L91	S85-D87 PolarHBondContact O-N 2.87Å; D87-L89 VanDerWaalsContact C-N 3.35Å; D87-L89 PolarHBondContact O-N 3.21Å; D87-A90 PolarHBondContact O-N 3.22Å; D87-L91 WeakPolarHBondContact O-CG 3.46Å; D87-L91 PolarHBondContact O-N 3.27Å; D87-L91 VanDerWaalsContact O-N 3.12Å
88	L	94.6	Very high	95.9	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-45	175.2	-179.2	71.4	0	0	0	111.7	L79 S85 A90 L91 T115 F118 L119	L79-L88 HydrophobicContact CD1-CD1 3.78Å; L79-L88 HydrophobicContact CG-CD1 4.25Å; S85-L88 PolarHBondContact O-N 3.25Å; S85-L88 PolarHBondContact OG-N 3.4Å; S85-L88 VanDerWaalsContact OG-N 3.12Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 2.84Å; L88-L91 HydrophobicContact CD1-CD1 4.11Å; L88-L91 PolarHBondContact O-N 2.95Å; L88-T115 HydrophobicContact CD1-CG2 4.36Å; L88-F118 HydrophobicContact CD1-CD1 4.16Å; L88-F118 HydrophobicContact CD1-CE1 4.45Å; L88-F118 HydrophobicContact CD2-CD1 3.74Å; L88-F118 HydrophobicContact CD2-CE1 4.04Å; L88-F118 HydrophobicContact CD2-CG 4.37Å; L88-F118 HydrophobicContact CG-CD1 3.84Å; L88-F118 HydrophobicContact CG-CE1 3.82Å; L88-L119 HydrophobicContact CD1-CD2 3.79Å; L88-L119 HydrophobicContact CD1-CG 4.13Å
89	L	94.6	Very high	96	Very high	72 Å²	72	48.9 Å²	48.9	38%	0.377	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-36.4	178.3	-66.1	179	0	0	0	112.1	V84 S85 W86 D87 F118 K122	V84-L89 HydrophobicContact CG1-CD1 4.26Å; V84-L89 HydrophobicContact CG1-CD2 3.81Å; V84-L89 HydrophobicContact CG1-CG 4.04Å; S85-L89 WeakPolarHBondContact O-CG 3.46Å; S85-L89 PolarHBondContact O-N 2.91Å; W86-L89 HydrophobicContact CE3-CD1 4.08Å; W86-L89 HydrophobicContact CZ3-CD1 4.26Å; W86-L89 PolarHBondContact O-N 3.32Å; D87-L89 VanDerWaalsContact C-N 3.35Å; D87-L89 PolarHBondContact O-N 3.21Å; L89-F118 HydrophobicContact CD2-CE1 4.3Å; L89-F118 HydrophobicContact CD2-CE2 4.18Å; L89-F118 HydrophobicContact CD2-CZ 3.53Å; L89-K122 PolarHBondContact O-NZ 2.89Å
90	A	95.2	Very high	96	Very high	82 Å²	82	49.5 Å²	49.5	68%	0.678	28%	0.275	S	S	*	.	H	α-helix	trans	-82.3	-11.3	-176.1	0	0	0	0	0	114.5	W86 D87 L88	W86-A90 WeakPolarHBondContact O-CB 3.37Å; W86-A90 PolarHBondContact O-N 2.86Å; D87-A90 PolarHBondContact O-N 3.22Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 2.84Å
91	L	96.7	Very high	95.9	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.047	27%	0.272	C	S	.	.			trans	-52.3	138.5	177.6	-76.7	170.9	0	0	0	111.3	L27 I48 V77 L79 D87 L88 L119 K122	L27-L91 HydrophobicContact CD1-CD1 4.32Å; L27-L91 HydrophobicContact CD1-CD2 4.18Å; L27-L91 HydrophobicContact CD2-CD1 3.76Å; I48-L91 HydrophobicContact CD1-CD2 3.87Å; I48-L91 HydrophobicContact CG2-CD2 4.09Å; V77-L91 HydrophobicContact CG2-CD2 4.39Å; L79-L91 HydrophobicContact CD1-CD1 4.32Å; D87-L91 WeakPolarHBondContact O-CG 3.46Å; D87-L91 PolarHBondContact O-N 3.27Å; D87-L91 VanDerWaalsContact O-N 3.12Å; L88-L91 HydrophobicContact CD1-CD1 4.11Å; L88-L91 PolarHBondContact O-N 2.95Å; L91-L119 HydrophobicContact CD1-CD2 3.9Å; L91-K122 WeakPolarHBondContact O-CE 3.26Å; L91-K122 PolarHBondContact O-NZ 3.23Å
92	P	96	Very high	95.8	Very high	64 Å²	64	47.4 Å²	47.4	42%	0.416	27%	0.266	S	S	.	.			trans	-65	174.4	170.1	29.4	-34.6	0	0	0	110.4	I48 Q94	I48-P92 HydrophobicContact CD1-CG 3.78Å; P92-Q94 PolarHBondContact O-NE2 3.42Å; P92-Q94 PolarHBondContact O-OE1 2.81Å
93	P	95.8	Very high	95.7	Very high	91 Å²	91	46.2 Å²	46.2	59%	0.591	25%	0.253	S	S	*	.			trans	-61.1	144.2	167.9	-26.8	37.5	0	0	0	112.9	A25 N123	A25-P93 WeakPolarHBondContact CB-O 2.92Å; P93-N123 WeakPolarHBondContact CA-OD1 3.21Å; P93-N123 WeakPolarHBondContact CB-OD1 3.42Å
94	Q	97.2	Very high	95.5	Very high	13 Å²	13	46 Å²	46	6%	0.061	25%	0.251	C	S	.	.			trans	-111.6	144.5	175.6	-73.1	70.6	41.9	0	0	111.1	L27 P92 N123 V126	L27-Q94 HydrophobicContact CB-CG 3.61Å; P92-Q94 PolarHBondContact O-NE2 3.42Å; P92-Q94 PolarHBondContact O-OE1 2.81Å; Q94-N123 PolarHBondContact N-ND2 3.34Å; Q94-N123 PolarHBondContact N-OD1 3.39Å; Q94-N123 PolarHBondContact OE1-ND2 2.95Å; Q94-V126 HydrophobicContact CB-CG2 3.96Å; Q94-V126 WeakPolarHBondContact O-CG2 3.47Å
95	D	97.7	Very high	95.5	Very high	65 Å²	65	45 Å²	45	35%	0.348	24%	0.24	S	C	.	.	S	Bend	trans	-84.3	-35.2	165.6	-71.7	-82.1	0	0	0	111.8	K24 A25	K24-D95 HydrophobicContact CB-CB 4.4Å; K24-D95 HydrophobicContact CD-CB 3.73Å; K24-D95 VanDerWaalsContact CD-CG 3.49Å; K24-D95 IonicContact NZ-OD1 3.03Å; K24-D95 PolarHBondContact NZ-OD1 2.97Å; A25-D95 PolarHBondContact N-OD2 3.45Å; A25-D95 PolarHBondContact O-N 3.31Å
96	I	98.6	Very high	95.5	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.6	-175.2	-51.3	171.6	0	0	0	109.4	L21 A25 I26 L27 L98 W129	L21-I96 HydrophobicContact CD2-CD1 4.35Å; A25-I96 PolarHBondContact O-N 3.02Å; I26-I96 WeakPolarHBondContact CA-O 3.42Å; I26-I96 HydrophobicContact CD1-CD1 4.13Å; I26-I96 HydrophobicContact CG1-CB 4.16Å; I26-I96 HydrophobicContact CG1-CD1 4.42Å; L27-I96 PolarHBondContact N-O 3.06Å; L27-I96 VanDerWaalsContact N-O 3.1Å; I96-L98 HydrophobicContact CG2-CD2 3.85Å; I96-W129 HydrophobicContact CD1-CE3 4.38Å; I96-W129 HydrophobicContact CD1-CH2 3.69Å; I96-W129 HydrophobicContact CD1-CZ2 3.96Å; I96-W129 HydrophobicContact CD1-CZ3 3.91Å; I96-W129 HydrophobicContact CG1-CZ2 4.48Å; I96-W129 HydrophobicContact CG2-CB 4.37Å; I96-W129 HydrophobicContact CG2-CD2 3.64Å; I96-W129 HydrophobicContact CG2-CE3 3.87Å; I96-W129 HydrophobicContact CG2-CG 3.88Å; I96-W129 HydrophobicContact CG2-CZ3 4.45Å
97	I	98.8	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.1	166	-56.6	158.7	0	0	0	107.7	L27 I29 L119 V126 Q127 L128 W129	L27-I97 CarbonylContact O-C 3.57Å; L27-I97 VanDerWaalsContact O-CA 3.3Å; L27-I97 WeakPolarHBondContact O-CA 3.4Å; I29-I97 HydrophobicContact CD1-CG2 4.37Å; I29-I97 HydrophobicContact CG1-CG2 4.28Å; I29-I97 HydrophobicContact CG2-CG2 4.31Å; I97-L119 HydrophobicContact CD1-CB 3.61Å; I97-L119 HydrophobicContact CD1-CD1 3.93Å; I97-L119 HydrophobicContact CD1-CG 4.42Å; I97-L119 HydrophobicContact CG1-CD1 4.41Å; I97-V126 HydrophobicContact CD1-CG1 3.95Å; I97-V126 HydrophobicContact CD1-CG2 3.99Å; I97-V126 HydrophobicContact CG1-CG2 3.79Å; I97-Q127 PolarHBondContact N-O 3.18Å; I97-L128 HydrophobicContact CB-CD1 4.04Å; I97-L128 HydrophobicContact CG2-CD1 3.71Å; I97-L128 CarbonylContact O-C 3.54Å; I97-L128 WeakPolarHBondContact O-CA 3.48Å; I97-W129 PolarHBondContact O-N 3.08Å
98	L	98.9	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.3	174	-56.2	179.5	0	0	0	109.8	L10 L14 I26 L27 E28 I29 P36 I96 W129	L10-L98 HydrophobicContact CD2-CB 4.2Å; L14-L98 HydrophobicContact CD1-CD1 3.82Å; L14-L98 HydrophobicContact CD1-CD2 4.36Å; L14-L98 HydrophobicContact CD2-CD1 4.49Å; L14-L98 HydrophobicContact CD2-CD2 4.15Å; I26-L98 HydrophobicContact CG2-CD1 3.53Å; I26-L98 HydrophobicContact CG2-CD2 4.4Å; I26-L98 HydrophobicContact CG2-CG 3.56Å; L27-L98 PolarHBondContact O-N 3.21Å; E28-L98 WeakPolarHBondContact CA-O 3.47Å; E28-L98 HydrophobicContact CB-CB 4.12Å; E28-L98 HydrophobicContact CG-CB 4.05Å; I29-L98 PolarHBondContact N-O 3.26Å; P36-L98 HydrophobicContact CB-CD1 4.16Å; I96-L98 HydrophobicContact CG2-CD2 3.85Å; L98-W129 WeakPolarHBondContact CA-O 3.28Å; L98-W129 HydrophobicContact CD2-CB 4.03Å; L98-W129 HydrophobicContact CD2-CE3 4.2Å
99	A	98.4	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	106.4	169.9	0	0	0	0	0	110.5	I29 V102 L128 W129 S130 T131	I29-A99 HydrophobicContact CD1-CB 4.19Å; I29-A99 HydrophobicContact CG1-CB 3.75Å; A99-V102 HydrophobicContact CB-CB 4.43Å; A99-V102 HydrophobicContact CB-CG1 3.86Å; A99-V102 HydrophobicContact CB-CG2 3.66Å; A99-L128 HydrophobicContact CB-CD1 3.74Å; A99-W129 PolarHBondContact N-O 2.93Å; A99-S130 WeakPolarHBondContact O-CA 3.29Å; A99-S130 PolarHBondContact O-OG 3.43Å; A99-S130 VanDerWaalsContact O-OG 3.08Å; A99-T131 PolarHBondContact O-N 3.3Å
100	S	97.8	Very high	95.8	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.2	175.9	62.2	0	0	0	0	111.1	V102	S100-V102 VanDerWaalsContact C-N 3.28Å; S100-V102 PolarHBondContact O-N 3.37Å
101	D	95.4	Very high	95.9	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.048	22%	0.219	C	C	.	.	S	Bend	trans	61	27.8	173.1	-145.3	21.5	0	0	0	115.7	C6 F103 F104 T131 Q133 R135	C6-D101 HydrophobicContact CB-CB 3.52Å; C6-D101 VanDerWaalsContact SG-CG 3.56Å; C6-D101 PolarHBondContact SG-OD1 3.03Å; D101-F103 VanDerWaalsContact C-N 3.29Å; D101-F103 PolarHBondContact O-N 2.89Å; D101-F104 VanDerWaalsContact O-CD1 3.22Å; D101-F104 WeakPolarHBondContact O-CD1 3.2Å; D101-T131 WeakPolarHBondContact CA-O 3.47Å; D101-T131 PolarHBondContact N-O 3.06Å; D101-Q133 PolarHBondContact OD1-N 3.12Å; D101-R135 IonicContact OD1-CZ 2.7Å; D101-R135 IonicContact OD1-NH1 2.96Å; D101-R135 PolarHBondContact OD1-NH1 3.28Å; D101-R135 IonicContact OD1-NH2 3.78Å; D101-R135 PolarHBondContact OD1-NH2 3.09Å; D101-R135 IonicContact OD2-CZ 3.25Å; D101-R135 IonicContact OD2-NH1 3.47Å; D101-R135 IonicContact OD2-NH2 3.69Å; D101-R135 PolarHBondContact OD2-NH2 3.01Å
102	V	96.2	Very high	96	Very high	4 Å²	4	41 Å²	41	2%	0.024	22%	0.216	C	C	.	.			trans	-70.8	-26.6	180	-60.7	0	0	0	0	112.8	W81 A99 S100 F104 I112	W81-V102 HydrophobicContact CH2-CB 3.88Å; W81-V102 HydrophobicContact CH2-CG1 4.13Å; W81-V102 HydrophobicContact CZ2-CB 3.8Å; W81-V102 HydrophobicContact CZ2-CG1 3.68Å; A99-V102 HydrophobicContact CB-CB 4.43Å; A99-V102 HydrophobicContact CB-CG1 3.86Å; A99-V102 HydrophobicContact CB-CG2 3.66Å; S100-V102 VanDerWaalsContact C-N 3.28Å; S100-V102 PolarHBondContact O-N 3.37Å; V102-F104 VanDerWaalsContact C-N 3.26Å; V102-F104 VanDerWaalsContact O-CD1 3.28Å; V102-F104 WeakPolarHBondContact O-CD1 3.43Å; V102-F104 PolarHBondContact O-N 3.4Å; V102-I112 HydrophobicContact CB-CD1 4.09Å; V102-I112 HydrophobicContact CG2-CD1 4.16Å; V102-I112 HydrophobicContact CG2-CG2 3.91Å; V102-I112 WeakPolarHBondContact O-CD1 3.36Å
103	F	94.4	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	63.5	178.7	-60.6	-67.9	0	0	0	111	D101 F109 I112 L113 Y132 L141	D101-F103 VanDerWaalsContact C-N 3.29Å; D101-F103 PolarHBondContact O-N 2.89Å; F103-F109 VanDerWaalsContact CA-CE1 3.42Å; F103-F109 HydrophobicContact CB-CD1 4.16Å; F103-F109 HydrophobicContact CB-CE1 3.72Å; F103-F109 HydrophobicContact CB-CE2 4.46Å; F103-F109 HydrophobicContact CB-CZ 3.87Å; F103-F109 HydrophobicContact CD1-CB 4.4Å; F103-F109 AromaticContact CD1-CD1 3.89Å; F103-F109 HydrophobicContact CD1-CD1 3.89Å; F103-F109 HydrophobicContact CD1-CE1 4.32Å; F103-F109 HydrophobicContact CD1-CG 4.01Å; F103-F109 WeakPolarHBondContact O-CZ 3.43Å; F103-I112 HydrophobicContact CD1-CB 4.46Å; F103-I112 HydrophobicContact CD1-CD1 3.9Å; F103-I112 HydrophobicContact CD1-CG2 4.25Å; F103-I112 HydrophobicContact CE1-CB 3.84Å; F103-I112 HydrophobicContact CE1-CD1 4.15Å; F103-I112 HydrophobicContact CE1-CG2 3.44Å; F103-I112 VanDerWaalsContact CE1-CG2 3.44Å; F103-I112 HydrophobicContact CE2-CG2 4.49Å; F103-I112 HydrophobicContact CZ-CB 4.47Å; F103-I112 HydrophobicContact CZ-CG2 3.59Å; F103-L113 HydrophobicContact CE1-CD2 4.3Å; F103-L113 HydrophobicContact CE1-CG 4.12Å; F103-L113 HydrophobicContact CZ-CD2 4.01Å; F103-L113 HydrophobicContact CZ-CG 4.34Å; F103-Y132 HydrophobicContact CB-CD2 3.91Å; F103-Y132 HydrophobicContact CB-CE2 4.3Å; F103-Y132 WeakPolarHBondContact O-CD2 3.33Å; F103-Y132 WeakPolarHBondContact O-CE2 3.49Å; F103-L141 HydrophobicContact CB-CD2 4.35Å; F103-L141 HydrophobicContact CD1-CD1 4.35Å; F103-L141 HydrophobicContact CD1-CD2 3.5Å; F103-L141 VanDerWaalsContact CD1-CD2 3.5Å; F103-L141 HydrophobicContact CD2-CD1 3.69Å; F103-L141 HydrophobicContact CD2-CD2 4.35Å; F103-L141 HydrophobicContact CE1-CD2 3.74Å; F103-L141 HydrophobicContact CE2-CD1 3.87Å; F103-L141 HydrophobicContact CG-CD1 3.94Å; F103-L141 HydrophobicContact CG-CD2 3.83Å; F103-L141 HydrophobicContact CG-CG 4.48Å; F103-L141 HydrophobicContact CZ-CD1 4.28Å; F103-L141 HydrophobicContact CZ-CD2 4.28Å
104	F	91.6	Very high	96	Very high	89 Å²	89	35.7 Å²	35.7	39%	0.39	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-28.6	179.9	67.1	-89.3	0	0	0	114.4	W81 D101 V102 R135 W139	W81-F104 HydrophobicContact CH2-CE1 4.19Å; W81-F104 HydrophobicContact CZ3-CE1 4.45Å; D101-F104 VanDerWaalsContact O-CD1 3.22Å; D101-F104 WeakPolarHBondContact O-CD1 3.2Å; V102-F104 VanDerWaalsContact C-N 3.26Å; V102-F104 VanDerWaalsContact O-CD1 3.28Å; V102-F104 WeakPolarHBondContact O-CD1 3.43Å; V102-F104 PolarHBondContact O-N 3.4Å; F104-R135 VanDerWaalsContact CB-CZ 3.41Å; F104-W139 VanDerWaalsContact O-CZ3 3.29Å; F104-W139 WeakPolarHBondContact O-CZ3 3.37Å
105	E	92.7	Very high	96	Very high	83 Å²	83	35.2 Å²	35.2	39%	0.388	18%	0.179	S	C	.	.	S	Bend	trans	-112.1	114.8	175.5	-171.4	62.6	-107.1	0	0	108.9	E107 D108 F109	E105-E107 HydrophobicContact CG-CB 4.33Å; E105-E107 PolarHBondContact O-N 3.11Å; E105-E107 VanDerWaalsContact O-N 3.11Å; E105-D108 PolarHBondContact O-N 2.82Å; E105-F109 VanDerWaalsContact C-CE1 3.5Å; E105-F109 WeakPolarHBondContact O-CD1 3.39Å; E105-F109 VanDerWaalsContact O-CE1 3.26Å; E105-F109 WeakPolarHBondContact O-CE1 3.48Å
106	P	90.9	Very high	96	Very high	46 Å²	46	32.1 Å²	32.1	30%	0.299	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-56.5	-29	-175.6	-29.3	36.6	0	0	0	114.8	D108 F109 W139	P106-D108 PolarHBondContact O-N 3.18Å; P106-F109 PolarHBondContact O-N 3.2Å; P106-W139 HydrophobicContact CG-CD2 3.61Å; P106-W139 HydrophobicContact CG-CE3 4Å; P106-W139 HydrophobicContact CG-CG 4.17Å; P106-W139 HydrophobicContact CG-CH2 3.83Å; P106-W139 HydrophobicContact CG-CZ2 3.44Å; P106-W139 VanDerWaalsContact CG-CZ2 3.44Å; P106-W139 HydrophobicContact CG-CZ3 4.09Å
107	E	93.7	Very high	95.9	Very high	165 Å²	165	35.3 Å²	35.3	77%	0.771	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-62.2	-30.3	177.3	-60.1	-174.9	-175.4	0	0	111.9	E105	E105-E107 HydrophobicContact CG-CB 4.33Å; E105-E107 PolarHBondContact O-N 3.11Å; E105-E107 VanDerWaalsContact O-N 3.11Å
108	D	95.3	Very high	95.7	Very high	52 Å²	52	38.4 Å²	38.4	28%	0.278	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-86.6	-12.7	-178.4	-65.8	-29.9	0	0	0	113.4	W81 E105 P106 E110 D111 I112	W81-D108 HydrophobicContact CE3-CB 4.14Å; W81-D108 HydrophobicContact CZ3-CB 4.22Å; E105-D108 PolarHBondContact O-N 2.82Å; P106-D108 PolarHBondContact O-N 3.18Å; D108-E110 VanDerWaalsContact C-N 3.33Å; D108-E110 PolarHBondContact O-N 3.03Å; D108-D111 PolarHBondContact O-N 3.34Å; D108-D111 VanDerWaalsContact O-N 3.14Å; D108-I112 HydrophobicContact CB-CD1 4.04Å; D108-I112 WeakPolarHBondContact O-CD1 3.45Å; D108-I112 VanDerWaalsContact O-CG1 3.27Å; D108-I112 WeakPolarHBondContact O-CG1 3.27Å; D108-I112 PolarHBondContact O-N 3.08Å
109	F	95.3	Very high	95.6	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.035	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-41.5	-168.7	-76.4	17.6	0	0	0	112.6	F103 E105 P106 L113 L141 L144	F103-F109 VanDerWaalsContact CA-CE1 3.42Å; F103-F109 HydrophobicContact CB-CD1 4.16Å; F103-F109 HydrophobicContact CB-CE1 3.72Å; F103-F109 HydrophobicContact CB-CE2 4.46Å; F103-F109 HydrophobicContact CB-CZ 3.87Å; F103-F109 HydrophobicContact CD1-CB 4.4Å; F103-F109 AromaticContact CD1-CD1 3.89Å; F103-F109 HydrophobicContact CD1-CD1 3.89Å; F103-F109 HydrophobicContact CD1-CE1 4.32Å; F103-F109 HydrophobicContact CD1-CG 4.01Å; F103-F109 WeakPolarHBondContact O-CZ 3.43Å; E105-F109 VanDerWaalsContact C-CE1 3.5Å; E105-F109 WeakPolarHBondContact O-CD1 3.39Å; E105-F109 VanDerWaalsContact O-CE1 3.26Å; E105-F109 WeakPolarHBondContact O-CE1 3.48Å; P106-F109 PolarHBondContact O-N 3.2Å; F109-L113 WeakPolarHBondContact O-CG 3.24Å; F109-L113 PolarHBondContact O-N 2.99Å; F109-L141 HydrophobicContact CD2-CD2 3.55Å; F109-L141 HydrophobicContact CE2-CD2 3.88Å; F109-L141 HydrophobicContact CG-CD2 4.14Å; F109-L144 HydrophobicContact CB-CD1 3.62Å; F109-L144 HydrophobicContact CD2-CD1 4.37Å
110	E	95.8	Very high	95.5	Very high	74 Å²	74	38.4 Å²	38.4	35%	0.346	19%	0.188	S	C	.	.	H	α-helix	trans	-70.7	-36	179.5	-173	162.7	170.6	0	0	111.8	D108 L113 T114 L144 K147 W148	D108-E110 VanDerWaalsContact C-N 3.33Å; D108-E110 PolarHBondContact O-N 3.03Å; E110-L113 PolarHBondContact O-N 2.96Å; E110-T114 WeakPolarHBondContact O-CB 3.22Å; E110-T114 PolarHBondContact O-N 3.44Å; E110-T114 PolarHBondContact O-OG1 2.78Å; E110-L144 HydrophobicContact CB-CD2 4.34Å; E110-L144 HydrophobicContact CG-CD2 4.49Å; E110-K147 IonicContact OE1-NZ 3.22Å; E110-K147 PolarHBondContact OE1-NZ 3.36Å; E110-K147 IonicContact OE2-NZ 2.58Å; E110-K147 PolarHBondContact OE2-NZ 2.81Å; E110-W148 HydrophobicContact CG-CZ2 4.12Å
111	D	97.3	Very high	95.3	Very high	68 Å²	68	43.9 Å²	43.9	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-68.9	-39.1	177.1	-76.8	-21.6	0	0	0	111.9	W81 G82 D108 T114 T115	W81-D111 HydrophobicContact CB-CB 4.11Å; G82-D111 PolarHBondContact N-O 3.18Å; G82-D111 VanDerWaalsContact N-O 3.13Å; D108-D111 PolarHBondContact O-N 3.34Å; D108-D111 VanDerWaalsContact O-N 3.14Å; D111-T114 PolarHBondContact O-N 3.21Å; D111-T115 PolarHBondContact O-N 3.48Å; D111-T115 PolarHBondContact O-OG1 3.47Å
112	I	97.7	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-50.8	171.7	-65.8	159.1	0	0	0	109.7	I29 W81 V102 F103 D108 T114 T115 V116	I29-I112 HydrophobicContact CD1-CG2 4.45Å; W81-I112 HydrophobicContact CB-CG1 4.26Å; W81-I112 HydrophobicContact CD2-CD1 4.3Å; W81-I112 HydrophobicContact CD2-CG1 3.48Å; W81-I112 VanDerWaalsContact CD2-CG1 3.48Å; W81-I112 HydrophobicContact CE3-CD1 3.84Å; W81-I112 HydrophobicContact CE3-CG1 3.44Å; W81-I112 VanDerWaalsContact CE3-CG1 3.44Å; W81-I112 HydrophobicContact CG-CG1 3.87Å; W81-I112 HydrophobicContact CH2-CD1 4.27Å; W81-I112 HydrophobicContact CH2-CG1 4.43Å; W81-I112 HydrophobicContact CZ2-CG1 4.48Å; W81-I112 HydrophobicContact CZ3-CD1 3.82Å; W81-I112 HydrophobicContact CZ3-CG1 3.94Å; V102-I112 HydrophobicContact CB-CD1 4.09Å; V102-I112 HydrophobicContact CG2-CD1 4.16Å; V102-I112 HydrophobicContact CG2-CG2 3.91Å; V102-I112 WeakPolarHBondContact O-CD1 3.36Å; F103-I112 HydrophobicContact CD1-CB 4.46Å; F103-I112 HydrophobicContact CD1-CD1 3.9Å; F103-I112 HydrophobicContact CD1-CG2 4.25Å; F103-I112 HydrophobicContact CE1-CB 3.84Å; F103-I112 HydrophobicContact CE1-CD1 4.15Å; F103-I112 HydrophobicContact CE1-CG2 3.44Å; F103-I112 VanDerWaalsContact CE1-CG2 3.44Å; F103-I112 HydrophobicContact CE2-CG2 4.49Å; F103-I112 HydrophobicContact CZ-CB 4.47Å; F103-I112 HydrophobicContact CZ-CG2 3.59Å; D108-I112 HydrophobicContact CB-CD1 4.04Å; D108-I112 WeakPolarHBondContact O-CD1 3.45Å; D108-I112 VanDerWaalsContact O-CG1 3.27Å; D108-I112 WeakPolarHBondContact O-CG1 3.27Å; D108-I112 PolarHBondContact O-N 3.08Å; I112-T114 VanDerWaalsContact C-N 3.35Å; I112-T114 PolarHBondContact O-N 2.97Å; I112-T115 WeakPolarHBondContact O-CB 3.18Å; I112-T115 PolarHBondContact O-N 3.33Å; I112-V116 HydrophobicContact CG2-CG2 4.43Å; I112-V116 VanDerWaalsContact O-CG2 3.32Å; I112-V116 WeakPolarHBondContact O-CG2 3.18Å; I112-V116 PolarHBondContact O-N 3.26Å
113	L	96.9	Very high	95	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-34.7	-178.8	-72.8	174.4	0	0	0	112.8	F103 F109 E110 T115 V116 Y117 L144 L145 M150	F103-L113 HydrophobicContact CE1-CD2 4.3Å; F103-L113 HydrophobicContact CE1-CG 4.12Å; F103-L113 HydrophobicContact CZ-CD2 4.01Å; F103-L113 HydrophobicContact CZ-CG 4.34Å; F109-L113 WeakPolarHBondContact O-CG 3.24Å; F109-L113 PolarHBondContact O-N 2.99Å; E110-L113 PolarHBondContact O-N 2.96Å; L113-T115 VanDerWaalsContact C-N 3.31Å; L113-T115 PolarHBondContact O-N 3.35Å; L113-V116 PolarHBondContact O-N 2.99Å; L113-Y117 WeakPolarHBondContact O-CB 3.38Å; L113-Y117 PolarHBondContact O-N 2.92Å; L113-L144 HydrophobicContact CD1-CB 3.34Å; L113-L144 HydrophobicContact CD1-CD1 4.06Å; L113-L144 HydrophobicContact CD1-CG 4.29Å; L113-L145 HydrophobicContact CD2-CD2 3.88Å; L113-M150 HydrophobicContact CD2-SD 4.27Å
114	T	96.1	Very high	94.8	Very high	43 Å²	43	51.1 Å²	51.1	26%	0.264	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-43.7	173.2	-60.5	0	0	0	0	110.9	E110 D111 I112 Y117 F118 W148	E110-T114 WeakPolarHBondContact O-CB 3.22Å; E110-T114 PolarHBondContact O-N 3.44Å; E110-T114 PolarHBondContact O-OG1 2.78Å; D111-T114 PolarHBondContact O-N 3.21Å; I112-T114 VanDerWaalsContact C-N 3.35Å; I112-T114 PolarHBondContact O-N 2.97Å; T114-Y117 PolarHBondContact O-N 3.06Å; T114-F118 PolarHBondContact O-N 2.75Å; T114-W148 HydrophobicContact CG2-CH2 4.05Å; T114-W148 VanDerWaalsContact OG1-CH2 3.29Å; T114-W148 WeakPolarHBondContact OG1-CH2 3.49Å; T114-W148 WeakPolarHBondContact OG1-CZ2 3.34Å
115	T	97.4	Very high	94.8	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-49.4	176.2	-53.8	0	0	0	0	111.3	L79 W81 G82 L88 D111 I112 L113 Y117 F118 L119	L79-T115 HydrophobicContact CD2-CG2 3.65Å; W81-T115 WeakPolarHBondContact CA-OG1 3.33Å; G82-T115 PolarHBondContact N-OG1 3.45Å; L88-T115 HydrophobicContact CD1-CG2 4.36Å; D111-T115 PolarHBondContact O-N 3.48Å; D111-T115 PolarHBondContact O-OG1 3.47Å; I112-T115 WeakPolarHBondContact O-CB 3.18Å; I112-T115 PolarHBondContact O-N 3.33Å; L113-T115 VanDerWaalsContact C-N 3.31Å; L113-T115 PolarHBondContact O-N 3.35Å; T115-Y117 VanDerWaalsContact C-N 3.34Å; T115-Y117 PolarHBondContact O-N 3.3Å; T115-F118 PolarHBondContact O-N 3.22Å; T115-L119 HydrophobicContact CG2-CD1 4.24Å; T115-L119 WeakPolarHBondContact O-CG 3.33Å; T115-L119 PolarHBondContact O-N 3.43Å
116	V	97.2	Very high	95	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-42	179.3	172.6	0	0	0	0	110.7	I29 I112 L113 F118 L119 M120 L128 M150	I29-V116 HydrophobicContact CD1-CG2 3.8Å; I112-V116 HydrophobicContact CG2-CG2 4.43Å; I112-V116 VanDerWaalsContact O-CG2 3.32Å; I112-V116 WeakPolarHBondContact O-CG2 3.18Å; I112-V116 PolarHBondContact O-N 3.26Å; L113-V116 PolarHBondContact O-N 2.99Å; V116-F118 VanDerWaalsContact C-N 3.34Å; V116-F118 PolarHBondContact O-N 2.74Å; V116-L119 PolarHBondContact O-N 3.35Å; V116-M120 HydrophobicContact CG1-CE 3.6Å; V116-M120 HydrophobicContact CG1-CG 4.23Å; V116-M120 HydrophobicContact CG1-SD 3.87Å; V116-M120 WeakPolarHBondContact O-CB 3.2Å; V116-M120 VanDerWaalsContact O-CG 3.32Å; V116-M120 WeakPolarHBondContact O-CG 3.21Å; V116-M120 PolarHBondContact O-N 2.93Å; V116-L128 HydrophobicContact CG1-CB 4.11Å; V116-L128 HydrophobicContact CG1-CD2 3.96Å; V116-L128 HydrophobicContact CG2-CD2 3.93Å; V116-M150 HydrophobicContact CG1-CE 4.23Å
117	Y	95.9	Very high	95.3	Very high	81 Å²	81	54.2 Å²	54.2	32%	0.318	26%	0.26	S	S	.	.	H	α-helix	trans	-58.3	-46.7	176.3	-179.9	-87.9	0	0	0	111.2	L113 T114 T115 L119 M120 H121 W148 M150 F185	L113-Y117 WeakPolarHBondContact O-CB 3.38Å; L113-Y117 PolarHBondContact O-N 2.92Å; T114-Y117 PolarHBondContact O-N 3.06Å; T115-Y117 VanDerWaalsContact C-N 3.34Å; T115-Y117 PolarHBondContact O-N 3.3Å; Y117-L119 PolarHBondContact O-N 3.01Å; Y117-M120 PolarHBondContact O-N 3.04Å; Y117-H121 WeakPolarHBondContact O-CB 3.32Å; Y117-H121 PolarHBondContact O-N 3.17Å; Y117-W148 HydrophobicContact CD1-CE3 4.14Å; Y117-W148 HydrophobicContact CD1-CZ3 4.07Å; Y117-W148 HydrophobicContact CD2-CB 4.35Å; Y117-W148 AromaticContact CD2-CE3 3.68Å; Y117-W148 HydrophobicContact CD2-CE3 3.68Å; Y117-W148 HydrophobicContact CD2-CZ3 4.42Å; Y117-W148 HydrophobicContact CE2-CE3 4.26Å; Y117-W148 AromaticContact CG-CE3 3.64Å; Y117-W148 HydrophobicContact CG-CE3 3.64Å; Y117-W148 AromaticContact CG-CZ3 3.99Å; Y117-W148 HydrophobicContact CG-CZ3 3.99Å; Y117-M150 VanDerWaalsContact CB-CE 3.48Å; Y117-M150 HydrophobicContact CD2-CE 3.81Å; Y117-M150 HydrophobicContact CG-CE 4.13Å; Y117-F185 AromaticContact CD2-CE1 3.55Å; Y117-F185 HydrophobicContact CD2-CE1 3.55Å; Y117-F185 HydrophobicContact CD2-CZ 4.02Å; Y117-F185 AromaticContact CE2-CE1 3.54Å; Y117-F185 HydrophobicContact CE2-CE1 3.54Å; Y117-F185 AromaticContact CE2-CZ 3.99Å; Y117-F185 HydrophobicContact CE2-CZ 3.99Å; Y117-F185 HydrophobicContact CG-CE1 4.47Å
118	F	95.6	Very high	95.6	Very high	64 Å²	64	46.4 Å²	46.4	28%	0.281	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-47.3	176.4	177.1	-92.1	0	0	0	111.8	L88 L89 T114 T115 V116 M120 H121 K122	L88-F118 HydrophobicContact CD1-CD1 4.16Å; L88-F118 HydrophobicContact CD1-CE1 4.45Å; L88-F118 HydrophobicContact CD2-CD1 3.74Å; L88-F118 HydrophobicContact CD2-CE1 4.04Å; L88-F118 HydrophobicContact CD2-CG 4.37Å; L88-F118 HydrophobicContact CG-CD1 3.84Å; L88-F118 HydrophobicContact CG-CE1 3.82Å; L89-F118 HydrophobicContact CD2-CE1 4.3Å; L89-F118 HydrophobicContact CD2-CE2 4.18Å; L89-F118 HydrophobicContact CD2-CZ 3.53Å; T114-F118 PolarHBondContact O-N 2.75Å; T115-F118 PolarHBondContact O-N 3.22Å; V116-F118 VanDerWaalsContact C-N 3.34Å; V116-F118 PolarHBondContact O-N 2.74Å; F118-M120 PolarHBondContact O-N 2.72Å; F118-H121 PolarHBondContact O-N 2.97Å; F118-K122 PolarHBondContact O-N 3.41Å; F118-K122 VanDerWaalsContact O-N 3.07Å
119	L	96.3	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-39.7	178.6	-69.4	167.9	0	0	0	112.3	L27 I29 L88 L91 I97 T115 V116 Y117 K122 N123	L27-L119 HydrophobicContact CD2-CD1 3.66Å; L27-L119 HydrophobicContact CD2-CD2 4.04Å; I29-L119 HydrophobicContact CG2-CD1 4.48Å; L88-L119 HydrophobicContact CD1-CD2 3.79Å; L88-L119 HydrophobicContact CD1-CG 4.13Å; L91-L119 HydrophobicContact CD1-CD2 3.9Å; I97-L119 HydrophobicContact CD1-CB 3.61Å; I97-L119 HydrophobicContact CD1-CD1 3.93Å; I97-L119 HydrophobicContact CD1-CG 4.42Å; I97-L119 HydrophobicContact CG1-CD1 4.41Å; T115-L119 HydrophobicContact CG2-CD1 4.24Å; T115-L119 WeakPolarHBondContact O-CG 3.33Å; T115-L119 PolarHBondContact O-N 3.43Å; V116-L119 PolarHBondContact O-N 3.35Å; Y117-L119 PolarHBondContact O-N 3.01Å; L119-K122 PolarHBondContact O-N 3.31Å; L119-N123 WeakPolarHBondContact O-CB 3.33Å; L119-N123 PolarHBondContact O-N 3.41Å; L119-N123 PolarHBondContact O-ND2 3.45Å; L119-N123 VanDerWaalsContact O-ND2 3.09Å
120	M	95.8	Very high	95.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-37.9	175.1	-71.2	179.1	171.3	0	0	112.1	V116 Y117 F118 K122 N123 P124 V126 L128 M150 I183 F185	V116-M120 HydrophobicContact CG1-CE 3.6Å; V116-M120 HydrophobicContact CG1-CG 4.23Å; V116-M120 HydrophobicContact CG1-SD 3.87Å; V116-M120 WeakPolarHBondContact O-CB 3.2Å; V116-M120 VanDerWaalsContact O-CG 3.32Å; V116-M120 WeakPolarHBondContact O-CG 3.21Å; V116-M120 PolarHBondContact O-N 2.93Å; Y117-M120 PolarHBondContact O-N 3.04Å; F118-M120 PolarHBondContact O-N 2.72Å; M120-K122 VanDerWaalsContact C-N 3.3Å; M120-K122 PolarHBondContact O-N 2.85Å; M120-N123 CarbonylContact O-C 3.3Å; M120-N123 PolarHBondContact O-N 2.88Å; M120-N123 VanDerWaalsContact O-N 3.1Å; M120-P124 WeakPolarHBondContact O-CA 3.37Å; M120-V126 HydrophobicContact CB-CG1 4.03Å; M120-V126 HydrophobicContact CG-CG1 3.55Å; M120-L128 HydrophobicContact CE-CB 3.74Å; M120-M150 HydrophobicContact SD-CE 3.85Å; M120-M150 HydrophobicContact SD-SD 4.17Å; M120-I183 HydrophobicContact CE-CG2 4.27Å; M120-I183 VanDerWaalsContact CE-O 3.23Å; M120-I183 WeakPolarHBondContact CE-O 3.32Å; M120-F185 VanDerWaalsContact C-CE2 3.49Å; M120-F185 HydrophobicContact CB-CD2 4.04Å; M120-F185 HydrophobicContact CB-CE1 4.28Å; M120-F185 HydrophobicContact CB-CE2 3.38Å; M120-F185 HydrophobicContact CB-CZ 3.5Å; M120-F185 VanDerWaalsContact CB-CZ 3.5Å
121	H	93.6	Very high	96	Very high	131 Å²	131	41 Å²	41	61%	0.606	20%	0.196	S	C	*	.	H	α-helix	trans	-64.8	-37.1	176.7	-162.8	77.3	0	0	0	112	Y117 F118 N123	Y117-H121 WeakPolarHBondContact O-CB 3.32Å; Y117-H121 PolarHBondContact O-N 3.17Å; F118-H121 PolarHBondContact O-N 2.97Å; H121-N123 VanDerWaalsContact C-N 3.3Å
122	K	92.9	Very high	95.8	Very high	74 Å²	74	38.3 Å²	38.3	32%	0.322	18%	0.18	S	C	.	.	H	α-helix	trans	-69.6	-29	173.1	-172.3	173.1	174.2	177.6	0	112.5	L89 L91 F118 L119 M120	L89-K122 PolarHBondContact O-NZ 2.89Å; L91-K122 WeakPolarHBondContact O-CE 3.26Å; L91-K122 PolarHBondContact O-NZ 3.23Å; F118-K122 PolarHBondContact O-N 3.41Å; F118-K122 VanDerWaalsContact O-N 3.07Å; L119-K122 PolarHBondContact O-N 3.31Å; M120-K122 VanDerWaalsContact C-N 3.3Å; M120-K122 PolarHBondContact O-N 2.85Å
123	N	93.7	Very high	95.6	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.07	19%	0.187	C	C	.	.	S	Bend	trans	-131.6	79.1	-175.2	-55.6	-55.5	0	0	0	111.1	P93 Q94 L119 M120 H121 K125 V126	P93-N123 WeakPolarHBondContact CA-OD1 3.21Å; P93-N123 WeakPolarHBondContact CB-OD1 3.42Å; Q94-N123 PolarHBondContact N-ND2 3.34Å; Q94-N123 PolarHBondContact N-OD1 3.39Å; Q94-N123 PolarHBondContact OE1-ND2 2.95Å; L119-N123 WeakPolarHBondContact O-CB 3.33Å; L119-N123 PolarHBondContact O-N 3.41Å; L119-N123 PolarHBondContact O-ND2 3.45Å; L119-N123 VanDerWaalsContact O-ND2 3.09Å; M120-N123 CarbonylContact O-C 3.3Å; M120-N123 PolarHBondContact O-N 2.88Å; M120-N123 VanDerWaalsContact O-N 3.1Å; H121-N123 VanDerWaalsContact C-N 3.3Å; N123-K125 PolarHBondContact O-N 2.86Å; N123-V126 HydrophobicContact CB-CB 3.76Å; N123-V126 HydrophobicContact CB-CG1 3.87Å; N123-V126 WeakPolarHBondContact O-CB 3.36Å; N123-V126 WeakPolarHBondContact O-CG1 3.48Å; N123-V126 PolarHBondContact O-N 3.5Å
124	P	89.7	Confident	95.2	Very high	79 Å²	79	42 Å²	42	51%	0.513	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.6	-167.3	-29.1	35.9	0	0	0	116.4	M120	M120-P124 WeakPolarHBondContact O-CA 3.37Å
125	K	92	Very high	94.7	Very high	198 Å²	198	44 Å²	44	86%	0.861	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-3.4	179	-62.7	-177	179.6	-180	0	114	N123	N123-K125 PolarHBondContact O-N 2.86Å
126	V	96.7	Very high	94.1	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	21%	0.214	C	C	.	.			trans	-69.2	143.8	-177.8	80.1	0	0	0	0	109.8	Q94 I97 M120 N123	Q94-V126 HydrophobicContact CB-CG2 3.96Å; Q94-V126 WeakPolarHBondContact O-CG2 3.47Å; I97-V126 HydrophobicContact CD1-CG1 3.95Å; I97-V126 HydrophobicContact CD1-CG2 3.99Å; I97-V126 HydrophobicContact CG1-CG2 3.79Å; M120-V126 HydrophobicContact CB-CG1 4.03Å; M120-V126 HydrophobicContact CG-CG1 3.55Å; N123-V126 HydrophobicContact CB-CB 3.76Å; N123-V126 HydrophobicContact CB-CG1 3.87Å; N123-V126 WeakPolarHBondContact O-CB 3.36Å; N123-V126 WeakPolarHBondContact O-CG1 3.48Å; N123-V126 PolarHBondContact O-N 3.5Å
127	Q	97.3	Very high	93.1	Very high	79 Å²	79	50.1 Å²	50.1	37%	0.369	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.8	171.8	-63.2	-178.1	-32.5	0	0	109.6	I97 V182	I97-Q127 PolarHBondContact N-O 3.18Å; Q127-V182 HydrophobicContact CB-CG1 4.28Å
128	L	98.5	Very high	92.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.7	165.8	169.3	68.2	0	0	0	108.5	I97 A99 V116 M120 V182 I183	I97-L128 HydrophobicContact CB-CD1 4.04Å; I97-L128 HydrophobicContact CG2-CD1 3.71Å; I97-L128 CarbonylContact O-C 3.54Å; I97-L128 WeakPolarHBondContact O-CA 3.48Å; A99-L128 HydrophobicContact CB-CD1 3.74Å; V116-L128 HydrophobicContact CG1-CB 4.11Å; V116-L128 HydrophobicContact CG1-CD2 3.96Å; V116-L128 HydrophobicContact CG2-CD2 3.93Å; M120-L128 HydrophobicContact CE-CB 3.74Å; L128-V182 CarbonylContact O-C 3.59Å; L128-V182 WeakPolarHBondContact O-CA 3.07Å; L128-I183 HydrophobicContact CB-CB 4.13Å; L128-I183 HydrophobicContact CD2-CB 4.27Å; L128-I183 HydrophobicContact CD2-CD1 3.8Å; L128-I183 HydrophobicContact CG-CB 4.5Å; L128-I183 PolarHBondContact N-O 3.21Å; L128-I183 PolarHBondContact O-N 3.16Å
129	W	98.6	Very high	91.6	Very high	22 Å²	22	54.7 Å²	54.7	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.9	169	-66.4	2.1	0	0	0	107.7	L10 Y13 L14 I96 I97 L98 A99 M180	L10-W129 HydrophobicContact CD1-CB 4.2Å; Y13-W129 HydrophobicContact CD1-CD2 4.29Å; Y13-W129 AromaticContact CD1-CE3 3.75Å; Y13-W129 HydrophobicContact CD1-CE3 3.75Å; Y13-W129 HydrophobicContact CD1-CZ3 4.01Å; Y13-W129 AromaticContact CE1-CD2 3.73Å; Y13-W129 HydrophobicContact CE1-CD2 3.73Å; Y13-W129 AromaticContact CE1-CE3 3.53Å; Y13-W129 HydrophobicContact CE1-CE3 3.53Å; Y13-W129 HydrophobicContact CE1-CG 4.37Å; Y13-W129 HydrophobicContact CE1-CH2 4.05Å; Y13-W129 HydrophobicContact CE1-CZ2 4.24Å; Y13-W129 AromaticContact CE1-CZ3 3.69Å; Y13-W129 HydrophobicContact CE1-CZ3 3.69Å; L14-W129 HydrophobicContact CD2-CE3 4.08Å; L14-W129 HydrophobicContact CD2-CZ3 3.9Å; I96-W129 HydrophobicContact CD1-CE3 4.38Å; I96-W129 HydrophobicContact CD1-CH2 3.69Å; I96-W129 HydrophobicContact CD1-CZ2 3.96Å; I96-W129 HydrophobicContact CD1-CZ3 3.91Å; I96-W129 HydrophobicContact CG1-CZ2 4.48Å; I96-W129 HydrophobicContact CG2-CB 4.37Å; I96-W129 HydrophobicContact CG2-CD2 3.64Å; I96-W129 HydrophobicContact CG2-CE3 3.87Å; I96-W129 HydrophobicContact CG2-CG 3.88Å; I96-W129 HydrophobicContact CG2-CZ3 4.45Å; I97-W129 PolarHBondContact O-N 3.08Å; L98-W129 WeakPolarHBondContact CA-O 3.28Å; L98-W129 HydrophobicContact CD2-CB 4.03Å; L98-W129 HydrophobicContact CD2-CE3 4.2Å; A99-W129 PolarHBondContact N-O 2.93Å; W129-M180 HydrophobicContact CB-CE 3.92Å; W129-M180 HydrophobicContact CG-CE 4.32Å
130	S	98.3	Very high	90.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.2	-173.4	-178.3	0	0	0	0	111.2	A99 L181	A99-S130 WeakPolarHBondContact O-CA 3.29Å; A99-S130 PolarHBondContact O-OG 3.43Å; A99-S130 VanDerWaalsContact O-OG 3.08Å; S130-L181 PolarHBondContact N-O 3.41Å; S130-L181 PolarHBondContact O-N 3.28Å
131	T	97.8	Very high	90.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.9	166.5	48.3	0	0	0	0	109.3	C6 V9 L10 A99 D101 V178 E179 M180	C6-T131 WeakPolarHBondContact CB-OG1 3.36Å; C6-T131 PolarHBondContact O-OG1 3.26Å; V9-T131 HydrophobicContact CB-CG2 4.09Å; V9-T131 HydrophobicContact CG1-CG2 3.83Å; L10-T131 HydrophobicContact CB-CG2 3.69Å; L10-T131 HydrophobicContact CD1-CG2 4.34Å; A99-T131 PolarHBondContact O-N 3.3Å; D101-T131 WeakPolarHBondContact CA-O 3.47Å; D101-T131 PolarHBondContact N-O 3.06Å; T131-V178 HydrophobicContact CG2-CG1 4.42Å; T131-E179 CarbonylContact C-O 3.59Å; T131-E179 WeakPolarHBondContact CA-O 3.48Å; T131-M180 HydrophobicContact CG2-SD 3.67Å
132	Y	94.4	Very high	90.2	Very high	11 Å²	11	58.5 Å²	58.5	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.3	-176.1	166.3	-116.2	0	0	0	109.8	C6 F103 V134 V178 E179	C6-Y132 VanDerWaalsContact SG-C 3.6Å; F103-Y132 HydrophobicContact CB-CD2 3.91Å; F103-Y132 HydrophobicContact CB-CE2 4.3Å; F103-Y132 WeakPolarHBondContact O-CD2 3.33Å; F103-Y132 WeakPolarHBondContact O-CE2 3.49Å; Y132-V134 HydrophobicContact CD1-CG2 4.24Å; Y132-V134 HydrophobicContact CE1-CB 4.39Å; Y132-V134 HydrophobicContact CE1-CG2 3.98Å; Y132-V178 CarbonylContact O-C 3.44Å; Y132-V178 WeakPolarHBondContact O-CA 3.41Å; Y132-E179 PolarHBondContact N-O 3.14Å; Y132-E179 PolarHBondContact O-N 3.27Å
133	Q	93.3	Very high	90.1	Very high	28 Å²	28	58.5 Å²	58.5	13%	0.131	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.1	169	-177.8	-174.3	-22.3	0	0	109	C6 D101 R135 H176 T177	C6-Q133 PolarHBondContact SG-N 2.93Å; D101-Q133 PolarHBondContact OD1-N 3.12Å; Q133-R135 PolarHBondContact O-N 3.37Å; Q133-R135 VanDerWaalsContact O-N 3.1Å; Q133-R135 PolarHBondContact O-NH1 2.58Å; Q133-R135 VanDerWaalsContact O-NH1 3.14Å; Q133-H176 PolarHBondContact NE2-ND1 2.58Å; Q133-T177 WeakPolarHBondContact CA-O 3.33Å
134	V	89	Confident	90.1	Very high	49 Å²	49	59.5 Å²	59.5	30%	0.297	32%	0.322	S	S	.	.			trans	-68.7	109.7	177.8	-175.7	0	0	0	0	109.2	Y132 T177 E179	Y132-V134 HydrophobicContact CD1-CG2 4.24Å; Y132-V134 HydrophobicContact CE1-CB 4.39Å; Y132-V134 HydrophobicContact CE1-CG2 3.98Å; V134-T177 HydrophobicContact CB-CG2 4.17Å; V134-T177 HydrophobicContact CG2-CG2 3.95Å; V134-T177 PolarHBondContact N-O 2.98Å; V134-E179 HydrophobicContact CG2-CG 3.96Å
135	R	85.7	Confident	90.3	Very high	84 Å²	84	56.2 Å²	56.2	32%	0.317	30%	0.3	S	S	.	.			trans	-102.9	-32.2	-179.2	-71.3	170.6	178	82.8	0.3	113.1	D101 F104 Q133 W139	D101-R135 IonicContact OD1-CZ 2.7Å; D101-R135 IonicContact OD1-NH1 2.96Å; D101-R135 PolarHBondContact OD1-NH1 3.28Å; D101-R135 IonicContact OD1-NH2 3.78Å; D101-R135 PolarHBondContact OD1-NH2 3.09Å; D101-R135 IonicContact OD2-CZ 3.25Å; D101-R135 IonicContact OD2-NH1 3.47Å; D101-R135 IonicContact OD2-NH2 3.69Å; D101-R135 PolarHBondContact OD2-NH2 3.01Å; F104-R135 VanDerWaalsContact CB-CZ 3.41Å; Q133-R135 PolarHBondContact O-N 3.37Å; Q133-R135 VanDerWaalsContact O-N 3.1Å; Q133-R135 PolarHBondContact O-NH1 2.58Å; Q133-R135 VanDerWaalsContact O-NH1 3.14Å; R135-W139 HydrophobicContact CB-CE3 3.95Å; R135-W139 HydrophobicContact CB-CZ3 3.7Å; R135-W139 HydrophobicContact CG-CZ3 4.44Å
136	S	83.9	Confident	90.4	Very high	34 Å²	34	56.3 Å²	56.3	24%	0.238	30%	0.296	C	S	.	.			trans	-146.8	142.5	176.1	-179.9	0	0	0	0	109.5	D138 W139	S136-D138 PolarHBondContact O-N 3.26Å; S136-D138 PolarHBondContact OG-N 2.97Å; S136-D138 VanDerWaalsContact OG-N 3.15Å; S136-W139 PolarHBondContact O-N 3.36Å
137	A	76	Confident	90.3	Very high	99 Å²	99	61.8 Å²	61.8	82%	0.818	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.7	171.9	0	0	0	0	0	112.3	W139	A137-W139 VanDerWaalsContact C-N 3.31Å
138	D	77.1	Confident	90.1	Very high	149 Å²	149	60.3 Å²	60.3	80%	0.797	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.1	179	-60.2	-38	0	0	0	112.5	S136	S136-D138 PolarHBondContact O-N 3.26Å; S136-D138 PolarHBondContact OG-N 2.97Å; S136-D138 VanDerWaalsContact OG-N 3.15Å
139	W	82.2	Confident	89.9	Confident	92 Å²	92	63.3 Å²	63.3	35%	0.348	33%	0.327	S	S	.	.			trans	-92.6	107.4	179.4	-63.5	-5.5	0	0	0	109.4	F104 P106 R135 S136 A137	F104-W139 VanDerWaalsContact O-CZ3 3.29Å; F104-W139 WeakPolarHBondContact O-CZ3 3.37Å; P106-W139 HydrophobicContact CG-CD2 3.61Å; P106-W139 HydrophobicContact CG-CE3 4Å; P106-W139 HydrophobicContact CG-CG 4.17Å; P106-W139 HydrophobicContact CG-CH2 3.83Å; P106-W139 HydrophobicContact CG-CZ2 3.44Å; P106-W139 VanDerWaalsContact CG-CZ2 3.44Å; P106-W139 HydrophobicContact CG-CZ3 4.09Å; R135-W139 HydrophobicContact CB-CE3 3.95Å; R135-W139 HydrophobicContact CB-CZ3 3.7Å; R135-W139 HydrophobicContact CG-CZ3 4.44Å; S136-W139 PolarHBondContact O-N 3.36Å; A137-W139 VanDerWaalsContact C-N 3.31Å
140	S	79.3	Confident	89.8	Confident	51 Å²	51	62.8 Å²	62.8	36%	0.357	33%	0.325	S	S	.	.			trans	-123.5	133.8	178.4	172.2	0	0	0	0	111.3	E142	S140-E142 VanDerWaalsContact C-N 3.29Å; S140-E142 VanDerWaalsContact OG-CB 3.26Å; S140-E142 WeakPolarHBondContact OG-CB 3.33Å; S140-E142 WeakPolarHBondContact OG-CG 3.37Å; S140-E142 PolarHBondContact OG-N 3.1Å; S140-E142 PolarHBondContact OG-OE2 3.41Å
141	L	88.2	Confident	89.6	Confident	16 Å²	16	66.4 Å²	66.4	8%	0.084	34%	0.341	C	S	.	.	S	Bend	trans	-78	-14.7	170.7	-65	174.6	0	0	0	112.2	F103 F109 A143 L144 L145 L181	F103-L141 HydrophobicContact CB-CD2 4.35Å; F103-L141 HydrophobicContact CD1-CD1 4.35Å; F103-L141 HydrophobicContact CD1-CD2 3.5Å; F103-L141 VanDerWaalsContact CD1-CD2 3.5Å; F103-L141 HydrophobicContact CD2-CD1 3.69Å; F103-L141 HydrophobicContact CD2-CD2 4.35Å; F103-L141 HydrophobicContact CE1-CD2 3.74Å; F103-L141 HydrophobicContact CE2-CD1 3.87Å; F103-L141 HydrophobicContact CG-CD1 3.94Å; F103-L141 HydrophobicContact CG-CD2 3.83Å; F103-L141 HydrophobicContact CG-CG 4.48Å; F103-L141 HydrophobicContact CZ-CD1 4.28Å; F103-L141 HydrophobicContact CZ-CD2 4.28Å; F109-L141 HydrophobicContact CD2-CD2 3.55Å; F109-L141 HydrophobicContact CE2-CD2 3.88Å; F109-L141 HydrophobicContact CG-CD2 4.14Å; L141-A143 PolarHBondContact O-N 3.14Å; L141-L144 PolarHBondContact O-N 3.14Å; L141-L144 VanDerWaalsContact O-N 3.14Å; L141-L145 HydrophobicContact CB-CD1 3.93Å; L141-L145 HydrophobicContact CB-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CB 3.26Å; L141-L145 VanDerWaalsContact O-CG 3.27Å; L141-L145 WeakPolarHBondContact O-CG 3.3Å; L141-L145 PolarHBondContact O-N 3.11Å; L141-L181 HydrophobicContact CD1-CD1 4.07Å
142	E	89.5	Confident	89.5	Confident	144 Å²	144	68.2 Å²	68.2	67%	0.673	35%	0.353	S	S	*	.	H	α-helix	trans	-60.3	-45.1	-167.9	-62.6	154.3	150.1	0	0	112.3	S140 L144 L145 Y146	S140-E142 VanDerWaalsContact C-N 3.29Å; S140-E142 VanDerWaalsContact OG-CB 3.26Å; S140-E142 WeakPolarHBondContact OG-CB 3.33Å; S140-E142 WeakPolarHBondContact OG-CG 3.37Å; S140-E142 PolarHBondContact OG-N 3.1Å; S140-E142 PolarHBondContact OG-OE2 3.41Å; E142-L144 VanDerWaalsContact C-N 3.33Å; E142-L144 PolarHBondContact O-N 3.34Å; E142-L145 PolarHBondContact O-N 3.24Å; E142-Y146 WeakPolarHBondContact O-CB 3.38Å; E142-Y146 PolarHBondContact O-N 3.22Å
143	A	90.6	Very high	89.6	Confident	75 Å²	75	71.3 Å²	71.3	62%	0.62	37%	0.373	S	S	*	.	H	α-helix	trans	-64.3	-38.7	179.5	0	0	0	0	0	112	L141 K147	L141-A143 PolarHBondContact O-N 3.14Å; A143-K147 WeakPolarHBondContact O-CB 3.19Å; A143-K147 PolarHBondContact O-N 3.46Å
144	L	93.2	Very high	89.7	Confident	34 Å²	34	74.8 Å²	74.8	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-72.9	-44.5	177.1	-69.6	170.9	0	0	0	111.2	F109 E110 L113 L141 E142 Y146 K147 W148	F109-L144 HydrophobicContact CB-CD1 3.62Å; F109-L144 HydrophobicContact CD2-CD1 4.37Å; E110-L144 HydrophobicContact CB-CD2 4.34Å; E110-L144 HydrophobicContact CG-CD2 4.49Å; L113-L144 HydrophobicContact CD1-CB 3.34Å; L113-L144 HydrophobicContact CD1-CD1 4.06Å; L113-L144 HydrophobicContact CD1-CG 4.29Å; L141-L144 PolarHBondContact O-N 3.14Å; L141-L144 VanDerWaalsContact O-N 3.14Å; E142-L144 VanDerWaalsContact C-N 3.33Å; E142-L144 PolarHBondContact O-N 3.34Å; L144-Y146 VanDerWaalsContact C-N 3.26Å; L144-Y146 PolarHBondContact O-N 2.79Å; L144-K147 HydrophobicContact CD2-CD 4.38Å; L144-K147 WeakPolarHBondContact O-CA 3.43Å; L144-K147 WeakPolarHBondContact O-CB 3.45Å; L144-K147 PolarHBondContact O-N 3.06Å; L144-W148 PolarHBondContact O-N 2.92Å
145	L	94.8	Very high	90.2	Very high	9 Å²	9	74.1 Å²	74.1	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-57.3	-42.7	175.6	-70	170	0	0	0	111.1	L113 L141 E142 W148 D149 M150 C152 I183	L113-L145 HydrophobicContact CD2-CD2 3.88Å; L141-L145 HydrophobicContact CB-CD1 3.93Å; L141-L145 HydrophobicContact CB-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CB 3.26Å; L141-L145 VanDerWaalsContact O-CG 3.27Å; L141-L145 WeakPolarHBondContact O-CG 3.3Å; L141-L145 PolarHBondContact O-N 3.11Å; E142-L145 PolarHBondContact O-N 3.24Å; L145-W148 CarbonylContact O-C 3.48Å; L145-W148 PolarHBondContact O-N 3.43Å; L145-D149 PolarHBondContact O-N 3.22Å; L145-M150 CarbonylContact C-O 3.48Å; L145-M150 HydrophobicContact CB-CB 4.33Å; L145-M150 HydrophobicContact CD2-CB 3.8Å; L145-M150 HydrophobicContact CD2-SD 4.18Å; L145-M150 PolarHBondContact O-N 3.22Å; L145-C152 HydrophobicContact CD1-CB 3.6Å; L145-I183 HydrophobicContact CD2-CD1 4.09Å; L145-I183 HydrophobicContact CD2-CG1 4.25Å; L145-I183 HydrophobicContact CD2-CG2 3.67Å
146	Y	93.8	Very high	90.8	Very high	200 Å²	200	73.7 Å²	73.7	78%	0.784	39%	0.392	S	S	*	.	H	α-helix	trans	-60.6	-46.4	172.7	179.2	-96.6	0	0	0	112.3	E142 L144 W148 D149	E142-Y146 WeakPolarHBondContact O-CB 3.38Å; E142-Y146 PolarHBondContact O-N 3.22Å; L144-Y146 VanDerWaalsContact C-N 3.26Å; L144-Y146 PolarHBondContact O-N 2.79Å; Y146-W148 PolarHBondContact O-N 3.47Å; Y146-D149 PolarHBondContact O-N 3.31Å
147	K	94.2	Very high	91.4	Very high	122 Å²	122	73.8 Å²	73.8	53%	0.53	39%	0.39	S	S	.	.	H	α-helix	trans	-55.6	-37.4	176.4	177.6	-174.4	178.7	179.6	0	112.2	E110 A143 L144	E110-K147 IonicContact OE1-NZ 3.22Å; E110-K147 PolarHBondContact OE1-NZ 3.36Å; E110-K147 IonicContact OE2-NZ 2.58Å; E110-K147 PolarHBondContact OE2-NZ 2.81Å; A143-K147 WeakPolarHBondContact O-CB 3.19Å; A143-K147 PolarHBondContact O-N 3.46Å; L144-K147 HydrophobicContact CD2-CD 4.38Å; L144-K147 WeakPolarHBondContact O-CA 3.43Å; L144-K147 WeakPolarHBondContact O-CB 3.45Å; L144-K147 PolarHBondContact O-N 3.06Å
148	W	93.9	Very high	92.4	Very high	48 Å²	48	75.8 Å²	75.8	18%	0.182	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	12.3	-176.3	-68.3	104.2	0	0	0	114.4	E110 T114 Y117 L144 L145 Y146 M150	E110-W148 HydrophobicContact CG-CZ2 4.12Å; T114-W148 HydrophobicContact CG2-CH2 4.05Å; T114-W148 VanDerWaalsContact OG1-CH2 3.29Å; T114-W148 WeakPolarHBondContact OG1-CH2 3.49Å; T114-W148 WeakPolarHBondContact OG1-CZ2 3.34Å; Y117-W148 HydrophobicContact CD1-CE3 4.14Å; Y117-W148 HydrophobicContact CD1-CZ3 4.07Å; Y117-W148 HydrophobicContact CD2-CB 4.35Å; Y117-W148 AromaticContact CD2-CE3 3.68Å; Y117-W148 HydrophobicContact CD2-CE3 3.68Å; Y117-W148 HydrophobicContact CD2-CZ3 4.42Å; Y117-W148 HydrophobicContact CE2-CE3 4.26Å; Y117-W148 AromaticContact CG-CE3 3.64Å; Y117-W148 HydrophobicContact CG-CE3 3.64Å; Y117-W148 AromaticContact CG-CZ3 3.99Å; Y117-W148 HydrophobicContact CG-CZ3 3.99Å; L144-W148 PolarHBondContact O-N 2.92Å; L145-W148 CarbonylContact O-C 3.48Å; L145-W148 PolarHBondContact O-N 3.43Å; Y146-W148 PolarHBondContact O-N 3.47Å; W148-M150 HydrophobicContact CB-CE 4.35Å; W148-M150 HydrophobicContact CB-CG 4.25Å; W148-M150 HydrophobicContact CB-SD 4.47Å; W148-M150 PolarHBondContact O-N 2.82Å
149	D	94.2	Very high	93.4	Very high	63 Å²	63	71.6 Å²	71.6	34%	0.337	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	35.8	-178.5	-162.2	30.7	0	0	0	113	L145 Y146 A186 K187	L145-D149 PolarHBondContact O-N 3.22Å; Y146-D149 PolarHBondContact O-N 3.31Å; D149-A186 WeakPolarHBondContact O-CB 3.43Å; D149-A186 PolarHBondContact O-N 3.45Å; D149-K187 WeakPolarHBondContact OD2-CD 3.42Å; D149-K187 WeakPolarHBondContact OD2-CE 3.31Å; D149-K187 IonicContact OD2-NZ 2.79Å; D149-K187 PolarHBondContact OD2-NZ 2.74Å
150	M	95.6	Very high	94.1	Very high	10 Å²	10	67.2 Å²	67.2	5%	0.049	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	151.8	178	-63.8	-173.8	-174.6	0	0	111	L113 V116 Y117 M120 L145 W148 I183 S184 F185	L113-M150 HydrophobicContact CD2-SD 4.27Å; V116-M150 HydrophobicContact CG1-CE 4.23Å; Y117-M150 VanDerWaalsContact CB-CE 3.48Å; Y117-M150 HydrophobicContact CD2-CE 3.81Å; Y117-M150 HydrophobicContact CG-CE 4.13Å; M120-M150 HydrophobicContact SD-CE 3.85Å; M120-M150 HydrophobicContact SD-SD 4.17Å; L145-M150 CarbonylContact C-O 3.48Å; L145-M150 HydrophobicContact CB-CB 4.33Å; L145-M150 HydrophobicContact CD2-CB 3.8Å; L145-M150 HydrophobicContact CD2-SD 4.18Å; L145-M150 PolarHBondContact O-N 3.22Å; W148-M150 HydrophobicContact CB-CE 4.35Å; W148-M150 HydrophobicContact CB-CG 4.25Å; W148-M150 HydrophobicContact CB-SD 4.47Å; W148-M150 PolarHBondContact O-N 2.82Å; M150-I183 HydrophobicContact CB-CG2 4.1Å; M150-I183 HydrophobicContact CG-CG2 4.48Å; M150-I183 HydrophobicContact SD-CG2 3.85Å; M150-S184 CarbonylContact C-O 3.56Å; M150-S184 WeakPolarHBondContact CA-O 2.96Å; M150-F185 HydrophobicContact CE-CE1 4.26Å; M150-F185 HydrophobicContact CG-CD1 4.24Å; M150-F185 HydrophobicContact CG-CE1 4.5Å
151	K	94.8	Very high	94.9	Very high	76 Å²	76	69 Å²	69	33%	0.33	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.4	170.4	62.1	179.6	175.4	-178.5	0	109.8	I183 S184 F185 S189	K151-I183 VanDerWaalsContact O-CA 3.32Å; K151-I183 WeakPolarHBondContact O-CA 3.33Å; K151-S184 VanDerWaalsContact CE-OG 3.27Å; K151-S184 WeakPolarHBondContact CE-OG 3.49Å; K151-S184 PolarHBondContact N-O 3.45Å; K151-S184 PolarHBondContact O-N 3.31Å; K151-F185 WeakPolarHBondContact CE-O 3.49Å; K151-S189 PolarHBondContact NZ-OG 3.26Å
152	C	95.4	Very high	95.3	Very high	38 Å²	38	68.3 Å²	68.3	26%	0.257	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.9	173.2	-178.9	0	0	0	0	109.7	L145 V182 I183	L145-C152 HydrophobicContact CD1-CB 3.6Å; C152-V182 WeakPolarHBondContact CA-O 3.05Å; C152-I183 HydrophobicContact CB-CG1 3.98Å
153	V	96.4	Very high	95.6	Very high	76 Å²	76	65.7 Å²	65.7	46%	0.461	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.4	168.2	-179.3	0	0	0	0	108	I155 V182	V153-I155 HydrophobicContact CG1-CD1 4.05Å; V153-V182 PolarHBondContact N-O 2.79Å; V153-V182 PolarHBondContact O-N 2.76Å
154	H	96.9	Very high	95.6	Very high	102 Å²	102	67.7 Å²	67.7	47%	0.472	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.9	172.2	-69.4	-114.7	0	0	0	109.2	E179 M180 L181	H154-E179 IonicContact CE1-OE2 3.67Å; H154-E179 PolarHBondContact CE1-OE2 2.94Å; H154-E179 VanDerWaalsContact CE1-OE2 3.25Å; H154-E179 IonicContact ND1-OE2 2.7Å; H154-M180 WeakPolarHBondContact CA-O 3.26Å; H154-L181 WeakPolarHBondContact CE1-CD2 3.36Å; H154-L181 WeakPolarHBondContact ND1-CD2 3.15Å
155	I	98.1	Very high	95.6	Very high	34 Å²	34	71.3 Å²	71.3	17%	0.174	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.2	176.1	-49.7	-57.9	0	0	0	108.4	Y13 V153 L157 F160 M180 V182	Y13-I155 HydrophobicContact CE2-CG2 3.98Å; V153-I155 HydrophobicContact CG1-CD1 4.05Å; I155-L157 PolarHBondContact O-N 3.13Å; I155-F160 HydrophobicContact CB-CE1 4.41Å; I155-F160 HydrophobicContact CG2-CD1 4.01Å; I155-F160 HydrophobicContact CG2-CE1 3.88Å; I155-M180 HydrophobicContact CB-CB 4.14Å; I155-M180 HydrophobicContact CB-CG 3.77Å; I155-M180 HydrophobicContact CG1-CG 4.05Å; I155-M180 PolarHBondContact N-O 3.03Å; I155-V182 HydrophobicContact CD1-CG2 3.97Å; I155-V182 HydrophobicContact CG1-CG2 3.73Å
156	P	97.8	Very high	95.5	Very high	75 Å²	75	75.4 Å²	75.4	49%	0.487	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-59.4	128.6	177	-23.9	34.2	0	0	0	111.3	E158 S159 F160	P156-E158 HydrophobicContact CB-CG 3.9Å; P156-E158 PolarHBondContact O-N 3.44Å; P156-S159 WeakPolarHBondContact O-CB 3.22Å; P156-S159 PolarHBondContact O-N 3.19Å; P156-S159 PolarHBondContact O-OG 3.45Å; P156-F160 WeakPolarHBondContact O-CD1 3.46Å; P156-F160 WeakPolarHBondContact O-CE1 3.39Å
157	L	97.6	Very high	95.5	Very high	37 Å²	37	66.2 Å²	66.2	19%	0.194	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-60.4	-34.6	-177.3	-60.6	-169.8	0	0	0	113	V9 I155 S159 F160 D161 A162 D163 V178 M180	V9-L157 HydrophobicContact CG1-CD2 3.76Å; I155-L157 PolarHBondContact O-N 3.13Å; L157-S159 PolarHBondContact O-N 2.82Å; L157-F160 HydrophobicContact CD2-CE1 3.93Å; L157-F160 HydrophobicContact CD2-CE2 4.37Å; L157-F160 HydrophobicContact CD2-CZ 3.44Å; L157-F160 VanDerWaalsContact CD2-CZ 3.44Å; L157-F160 PolarHBondContact O-N 3.21Å; L157-F160 VanDerWaalsContact O-N 3.16Å; L157-D161 PolarHBondContact O-N 3.04Å; L157-A162 HydrophobicContact CB-CB 4.22Å; L157-A162 PolarHBondContact O-N 2.79Å; L157-D163 HydrophobicContact CB-CB 4.07Å; L157-V178 WeakPolarHBondContact CD1-O 3.29Å; L157-M180 HydrophobicContact CD2-CB 3.92Å
158	E	97.1	Very high	95.3	Very high	140 Å²	140	64.7 Å²	64.7	65%	0.654	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-60.1	-24.3	174.7	63.1	-165.7	-147.9	0	0	113.3	P156 F160 D163	P156-E158 HydrophobicContact CB-CG 3.9Å; P156-E158 PolarHBondContact O-N 3.44Å; E158-F160 PolarHBondContact O-N 3.32Å; E158-D163 HydrophobicContact CB-CB 4.26Å
159	S	97.8	Very high	95.1	Very high	61 Å²	61	72 Å²	72	43%	0.427	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-72.7	-11.5	179.1	72.2	0	0	0	0	113.5	F16 P156 L157	F16-S159 WeakPolarHBondContact CZ-O 3.44Å; P156-S159 WeakPolarHBondContact O-CB 3.22Å; P156-S159 PolarHBondContact O-N 3.19Å; P156-S159 PolarHBondContact O-OG 3.45Å; L157-S159 PolarHBondContact O-N 2.82Å
160	F	97.6	Very high	94.9	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-139	26.6	178.8	62.4	-86.2	0	0	0	113.5	V9 Q12 Y13 F16 I155 P156 L157 E158 A162 M180	V9-F160 HydrophobicContact CG1-CE2 3.98Å; V9-F160 HydrophobicContact CG1-CZ 4.01Å; Q12-F160 HydrophobicContact CG-CD2 4.08Å; Q12-F160 WeakPolarHBondContact CG-O 3.19Å; Q12-F160 PolarHBondContact NE2-O 3.4Å; Y13-F160 HydrophobicContact CD2-CB 4.28Å; Y13-F160 AromaticContact CD2-CD1 3.71Å; Y13-F160 HydrophobicContact CD2-CD1 3.71Å; Y13-F160 AromaticContact CD2-CD2 3.95Å; Y13-F160 HydrophobicContact CD2-CD2 3.95Å; Y13-F160 AromaticContact CD2-CE1 3.89Å; Y13-F160 HydrophobicContact CD2-CE1 3.89Å; Y13-F160 HydrophobicContact CD2-CE2 4.12Å; Y13-F160 AromaticContact CD2-CG 3.74Å; Y13-F160 HydrophobicContact CD2-CG 3.74Å; Y13-F160 HydrophobicContact CD2-CZ 4.09Å; Y13-F160 HydrophobicContact CE2-CD1 4.27Å; Y13-F160 HydrophobicContact CG-CD2 4.44Å; Y13-F160 HydrophobicContact CG-CE2 4.43Å; F16-F160 HydrophobicContact CB-CB 3.89Å; F16-F160 HydrophobicContact CD1-CB 4.04Å; F16-F160 HydrophobicContact CD2-CB 3.94Å; F16-F160 HydrophobicContact CE2-CB 4.48Å; F16-F160 HydrophobicContact CG-CB 3.69Å; I155-F160 HydrophobicContact CB-CE1 4.41Å; I155-F160 HydrophobicContact CG2-CD1 4.01Å; I155-F160 HydrophobicContact CG2-CE1 3.88Å; P156-F160 WeakPolarHBondContact O-CD1 3.46Å; P156-F160 WeakPolarHBondContact O-CE1 3.39Å; L157-F160 HydrophobicContact CD2-CE1 3.93Å; L157-F160 HydrophobicContact CD2-CE2 4.37Å; L157-F160 HydrophobicContact CD2-CZ 3.44Å; L157-F160 VanDerWaalsContact CD2-CZ 3.44Å; L157-F160 PolarHBondContact O-N 3.21Å; L157-F160 VanDerWaalsContact O-N 3.16Å; E158-F160 PolarHBondContact O-N 3.32Å; F160-A162 VanDerWaalsContact C-N 3.34Å; F160-A162 HydrophobicContact CD2-CB 3.52Å; F160-A162 HydrophobicContact CE2-CB 3.17Å; F160-A162 HydrophobicContact CG-CB 4.44Å; F160-A162 HydrophobicContact CZ-CB 3.87Å; F160-A162 PolarHBondContact O-N 2.97Å; F160-M180 HydrophobicContact CE1-CB 4.04Å; F160-M180 HydrophobicContact CE1-CG 4.07Å; F160-M180 HydrophobicContact CZ-CB 3.76Å; F160-M180 HydrophobicContact CZ-CG 3.91Å
161	D	96.1	Very high	94.8	Very high	90 Å²	90	74.7 Å²	74.7	48%	0.481	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	38	176.4	-55.9	-53.8	0	0	0	114.3	L157	L157-D161 PolarHBondContact O-N 3.04Å
162	A	96.5	Very high	94.7	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	41%	0.41	C	S	.	.			trans	-113.8	12.1	179.7	0	0	0	0	0	114.1	V9 Q12 L157 F160 K164 I167	V9-A162 HydrophobicContact CG1-CB 4.21Å; Q12-A162 HydrophobicContact CB-CB 4.34Å; Q12-A162 HydrophobicContact CG-CB 3.89Å; L157-A162 HydrophobicContact CB-CB 4.22Å; L157-A162 PolarHBondContact O-N 2.79Å; F160-A162 VanDerWaalsContact C-N 3.34Å; F160-A162 HydrophobicContact CD2-CB 3.52Å; F160-A162 HydrophobicContact CE2-CB 3.17Å; F160-A162 HydrophobicContact CG-CB 4.44Å; F160-A162 HydrophobicContact CZ-CB 3.87Å; F160-A162 PolarHBondContact O-N 2.97Å; A162-K164 VanDerWaalsContact C-N 3.3Å; A162-I167 HydrophobicContact CB-CD1 3.76Å
163	D	94.4	Very high	94.6	Very high	90 Å²	90	71.8 Å²	71.8	48%	0.481	40%	0.4	S	S	.	.			trans	-86.6	5.6	-178.3	63	-48.7	0	0	0	114	L157 E158	L157-D163 HydrophobicContact CB-CB 4.07Å; E158-D163 HydrophobicContact CB-CB 4.26Å
164	K	92.5	Very high	94.4	Very high	116 Å²	116	69.1 Å²	69.1	50%	0.504	39%	0.388	S	S	.	.	S	Bend	trans	-96.9	156.2	-178.4	-61.8	179.3	-173.5	169.8	0	111.9	A162 D166 P173	A162-K164 VanDerWaalsContact C-N 3.3Å; K164-D166 WeakPolarHBondContact CB-O 3.28Å; K164-D166 PolarHBondContact O-N 3.44Å; K164-P173 WeakPolarHBondContact O-CD 3.27Å
165	E	92.1	Very high	94.1	Very high	110 Å²	110	74.7 Å²	74.7	51%	0.514	41%	0.405	S	S	.	.	S	Bend	trans	-66.2	-27.5	172.7	-64.6	-167.2	165	0	0	111.8	L172 G174 R175	E165-L172 CarbonylContact O-C 3.55Å; E165-L172 VanDerWaalsContact O-C 3.29Å; E165-G174 VanDerWaalsContact O-CA 3.3Å; E165-G174 WeakPolarHBondContact O-CA 3.39Å; E165-G174 PolarHBondContact O-N 3.24Å; E165-R175 IonicContact OE1-NE 3.68Å
166	D	93.3	Very high	93.7	Very high	96 Å²	96	77.3 Å²	77.3	51%	0.513	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.1	176.1	60.9	-73.9	0	0	0	112	K164 S170	K164-D166 WeakPolarHBondContact CB-O 3.28Å; K164-D166 PolarHBondContact O-N 3.44Å; D166-S170 VanDerWaalsContact CA-O 3.22Å; D166-S170 WeakPolarHBondContact CA-O 3.35Å; D166-S170 VanDerWaalsContact CB-O 3.24Å; D166-S170 WeakPolarHBondContact CB-O 3.11Å
167	I	94.1	Very high	93.4	Very high	6 Å²	6	78.2 Å²	78.2	3%	0.031	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.9	173.4	-63.6	-179.5	0	0	0	108.4	V8 V9 Q12 A162 E169 S170 L172 P173	V8-I167 HydrophobicContact CG1-CB 3.71Å; V8-I167 HydrophobicContact CG1-CD1 4.33Å; V8-I167 HydrophobicContact CG1-CG2 3.75Å; V9-I167 HydrophobicContact CG2-CD1 4.2Å; Q12-I167 HydrophobicContact CB-CD1 4.36Å; Q12-I167 HydrophobicContact CB-CG2 3.92Å; Q12-I167 HydrophobicContact CG-CD1 4.47Å; Q12-I167 HydrophobicContact CG-CG2 4.06Å; A162-I167 HydrophobicContact CB-CD1 3.76Å; I167-E169 VanDerWaalsContact C-N 3.28Å; I167-E169 PolarHBondContact O-N 3.02Å; I167-S170 PolarHBondContact N-O 3.42Å; I167-S170 VanDerWaalsContact O-CB 3.31Å; I167-S170 WeakPolarHBondContact O-CB 3.29Å; I167-S170 PolarHBondContact O-N 3.06Å; I167-S170 PolarHBondContact O-OG 3.29Å; I167-L172 PolarHBondContact N-O 2.98Å; I167-P173 HydrophobicContact CD1-CG 4.26Å
168	A	90.3	Very high	93.3	Very high	91 Å²	91	77 Å²	77	75%	0.752	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	45	177.3	0	0	0	0	0	113.4	S170	A168-S170 PolarHBondContact O-N 3.37Å; A168-S170 VanDerWaalsContact O-N 3.1Å
169	E	88.6	Confident	93.3	Very high	201 Å²	201	73.4 Å²	73.4	94%	0.939	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	11.2	-178.5	-53.8	176.7	-171.1	0	0	114.5	I167	I167-E169 VanDerWaalsContact C-N 3.28Å; I167-E169 PolarHBondContact O-N 3.02Å
170	S	90.9	Very high	93.3	Very high	39 Å²	39	70.5 Å²	70.5	27%	0.273	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	150.7	170.1	80.7	0	0	0	0	110.7	D166 I167 A168 L172	D166-S170 VanDerWaalsContact CA-O 3.22Å; D166-S170 WeakPolarHBondContact CA-O 3.35Å; D166-S170 VanDerWaalsContact CB-O 3.24Å; D166-S170 WeakPolarHBondContact CB-O 3.11Å; I167-S170 PolarHBondContact N-O 3.42Å; I167-S170 VanDerWaalsContact O-CB 3.31Å; I167-S170 WeakPolarHBondContact O-CB 3.29Å; I167-S170 PolarHBondContact O-N 3.06Å; I167-S170 PolarHBondContact O-OG 3.29Å; A168-S170 PolarHBondContact O-N 3.37Å; A168-S170 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact O-N 3.44Å; S170-L172 VanDerWaalsContact O-N 3.09Å; S170-L172 PolarHBondContact OG-N 3.15Å; S170-L172 PolarHBondContact OG-O 2.7Å
171	A	92.6	Very high	93.3	Very high	91 Å²	91	70.7 Å²	70.7	75%	0.752	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	15.7	172.2	0	0	0	0	0	113.3	G174	A171-G174 PolarHBondContact O-N 3.01Å
172	L	93.9	Very high	93.4	Very high	46 Å²	46	67 Å²	67	24%	0.241	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.2	178.5	-66.6	174.6	0	0	0	109.3	V3 P5 V8 E165 I167 S170 G174	V3-L172 HydrophobicContact CB-CD1 4.29Å; V3-L172 HydrophobicContact CG1-CD1 3.95Å; P5-L172 HydrophobicContact CG-CD2 4.03Å; V8-L172 HydrophobicContact CB-CB 4.21Å; V8-L172 HydrophobicContact CG1-CB 4.39Å; V8-L172 HydrophobicContact CG2-CB 3.76Å; V8-L172 HydrophobicContact CG2-CD1 3.62Å; V8-L172 HydrophobicContact CG2-CG 4.35Å; E165-L172 CarbonylContact O-C 3.55Å; E165-L172 VanDerWaalsContact O-C 3.29Å; I167-L172 PolarHBondContact N-O 2.98Å; S170-L172 PolarHBondContact O-N 3.44Å; S170-L172 VanDerWaalsContact O-N 3.09Å; S170-L172 PolarHBondContact OG-N 3.15Å; S170-L172 PolarHBondContact OG-O 2.7Å; L172-G174 VanDerWaalsContact C-N 3.27Å
173	P	92.3	Very high	93.4	Very high	6 Å²	6	67 Å²	67	4%	0.039	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-79.3	2.4	4.7	34.3	-37.3	0	0	0	114.1	P5 V9 K164 I167 H176 V178	P5-P173 HydrophobicContact CB-CB 3.73Å; V9-P173 HydrophobicContact CG2-CB 3.98Å; V9-P173 HydrophobicContact CG2-CG 3.97Å; K164-P173 WeakPolarHBondContact O-CD 3.27Å; I167-P173 HydrophobicContact CD1-CG 4.26Å; P173-H176 WeakPolarHBondContact O-CB 3.48Å; P173-H176 PolarHBondContact O-CD2 2.96Å; P173-H176 PolarHBondContact O-N 3.3Å; P173-V178 HydrophobicContact CB-CG2 4.31Å
174	G	92.4	Very high	93.5	Very high	21 Å²	21	63.3 Å²	63.3	22%	0.216	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	-135.8	-179.9	0	0	0	0	0	111.6	E165 A171 L172 H176	E165-G174 VanDerWaalsContact O-CA 3.3Å; E165-G174 WeakPolarHBondContact O-CA 3.39Å; E165-G174 PolarHBondContact O-N 3.24Å; A171-G174 PolarHBondContact O-N 3.01Å; L172-G174 VanDerWaalsContact C-N 3.27Å; G174-H176 VanDerWaalsContact C-N 3.31Å
175	R	90.2	Very high	93.6	Very high	218 Å²	218	59.1 Å²	59.1	82%	0.823	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	13.9	179.5	-64	-176.5	179.3	168.5	2.7	113.9	E165	E165-R175 IonicContact OE1-NE 3.68Å
176	H	90.3	Very high	93.3	Very high	90 Å²	90	55.7 Å²	55.7	42%	0.417	31%	0.312	S	S	.	.			trans	-77.4	132	-179.3	-67.6	-87.2	0	0	0	110.3	P5 Q133 P173 G174 V178	P5-H176 HydrophobicContact CB-CB 4.04Å; P5-H176 HydrophobicContact CG-CB 4.08Å; P5-H176 VanDerWaalsContact CG-CD2 3.49Å; P5-H176 WeakPolarHBondContact CG-CD2 3.25Å; Q133-H176 PolarHBondContact NE2-ND1 2.58Å; P173-H176 WeakPolarHBondContact O-CB 3.48Å; P173-H176 PolarHBondContact O-CD2 2.96Å; P173-H176 PolarHBondContact O-N 3.3Å; G174-H176 VanDerWaalsContact C-N 3.31Å; H176-V178 HydrophobicContact CB-CG2 4.31Å; H176-V178 PolarHBondContact O-N 3.35Å
177	T	91.9	Very high	92.2	Very high	93 Å²	93	58.2 Å²	58.2	57%	0.571	32%	0.319	S	S	*	.			trans	-77.6	106.9	171.4	-52.8	0	0	0	0	109.1	Q133 V134	Q133-T177 WeakPolarHBondContact CA-O 3.33Å; V134-T177 HydrophobicContact CB-CG2 4.17Å; V134-T177 HydrophobicContact CG2-CG2 3.95Å; V134-T177 PolarHBondContact N-O 2.98Å
178	V	95.5	Very high	90.4	Very high	12 Å²	12	62.6 Å²	62.6	7%	0.073	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.5	179	-179.7	0	0	0	0	109.6	P5 V9 T131 Y132 L157 P173 H176	P5-V178 HydrophobicContact CB-CG2 4.17Å; V9-V178 HydrophobicContact CB-CG1 4Å; V9-V178 HydrophobicContact CG1-CG1 4.04Å; V9-V178 HydrophobicContact CG2-CB 4.18Å; V9-V178 HydrophobicContact CG2-CG1 3.9Å; V9-V178 HydrophobicContact CG2-CG2 4.41Å; T131-V178 HydrophobicContact CG2-CG1 4.42Å; Y132-V178 CarbonylContact O-C 3.44Å; Y132-V178 WeakPolarHBondContact O-CA 3.41Å; L157-V178 WeakPolarHBondContact CD1-O 3.29Å; P173-V178 HydrophobicContact CB-CG2 4.31Å; H176-V178 HydrophobicContact CB-CG2 4.31Å; H176-V178 PolarHBondContact O-N 3.35Å
179	E	95.9	Very high	88	Confident	64 Å²	64	62.1 Å²	62.1	30%	0.299	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.2	171.9	-60.9	-176.1	158.2	0	0	110	T131 Y132 V134 H154 L181	T131-E179 CarbonylContact C-O 3.59Å; T131-E179 WeakPolarHBondContact CA-O 3.48Å; Y132-E179 PolarHBondContact N-O 3.14Å; Y132-E179 PolarHBondContact O-N 3.27Å; V134-E179 HydrophobicContact CG2-CG 3.96Å; H154-E179 IonicContact CE1-OE2 3.67Å; H154-E179 PolarHBondContact CE1-OE2 2.94Å; H154-E179 VanDerWaalsContact CE1-OE2 3.25Å; H154-E179 IonicContact ND1-OE2 2.7Å; E179-L181 HydrophobicContact CB-CD2 4Å; E179-L181 HydrophobicContact CB-CG 4.49Å
180	M	97.7	Very high	85.4	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.4	169.3	175.9	64.2	-162.7	0	0	109	L10 Y13 W129 T131 H154 I155 L157 F160 V182	L10-M180 HydrophobicContact CD1-CE 3.99Å; L10-M180 HydrophobicContact CD1-SD 3.94Å; Y13-M180 HydrophobicContact CD1-CE 3.42Å; Y13-M180 VanDerWaalsContact CD1-CE 3.42Å; Y13-M180 HydrophobicContact CD1-SD 4.38Å; Y13-M180 HydrophobicContact CD2-CE 4.21Å; Y13-M180 HydrophobicContact CD2-CG 4.3Å; Y13-M180 HydrophobicContact CE1-CE 3.56Å; Y13-M180 HydrophobicContact CE2-CE 4.34Å; Y13-M180 HydrophobicContact CG-CE 3.76Å; Y13-M180 HydrophobicContact CG-CG 4.49Å; Y13-M180 HydrophobicContact CG-SD 4.18Å; W129-M180 HydrophobicContact CB-CE 3.92Å; W129-M180 HydrophobicContact CG-CE 4.32Å; T131-M180 HydrophobicContact CG2-SD 3.67Å; H154-M180 WeakPolarHBondContact CA-O 3.26Å; I155-M180 HydrophobicContact CB-CB 4.14Å; I155-M180 HydrophobicContact CB-CG 3.77Å; I155-M180 HydrophobicContact CG1-CG 4.05Å; I155-M180 PolarHBondContact N-O 3.03Å; L157-M180 HydrophobicContact CD2-CB 3.92Å; F160-M180 HydrophobicContact CE1-CB 4.04Å; F160-M180 HydrophobicContact CE1-CG 4.07Å; F160-M180 HydrophobicContact CZ-CB 3.76Å; F160-M180 HydrophobicContact CZ-CG 3.91Å; M180-V182 HydrophobicContact CE-CG2 4.2Å
181	L	97.4	Very high	85.1	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.9	-171.4	-51.8	-179	0	0	0	109.5	S130 L141 H154 E179	S130-L181 PolarHBondContact N-O 3.41Å; S130-L181 PolarHBondContact O-N 3.28Å; L141-L181 HydrophobicContact CD1-CD1 4.07Å; H154-L181 WeakPolarHBondContact CE1-CD2 3.36Å; H154-L181 WeakPolarHBondContact ND1-CD2 3.15Å; E179-L181 HydrophobicContact CB-CD2 4Å; E179-L181 HydrophobicContact CB-CG 4.49Å
182	V	97.9	Very high	84.7	Confident	11 Å²	11	63.7 Å²	63.7	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113	166.6	177.1	0	0	0	0	108.3	Q127 L128 C152 V153 I155 M180	Q127-V182 HydrophobicContact CB-CG1 4.28Å; L128-V182 CarbonylContact O-C 3.59Å; L128-V182 WeakPolarHBondContact O-CA 3.07Å; C152-V182 WeakPolarHBondContact CA-O 3.05Å; V153-V182 PolarHBondContact N-O 2.79Å; V153-V182 PolarHBondContact O-N 2.76Å; I155-V182 HydrophobicContact CD1-CG2 3.97Å; I155-V182 HydrophobicContact CG1-CG2 3.73Å; M180-V182 HydrophobicContact CE-CG2 4.2Å
183	I	97.5	Very high	84.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.5	-177.9	-62.4	160.8	0	0	0	109.5	M120 L128 L145 M150 K151 C152	M120-I183 HydrophobicContact CE-CG2 4.27Å; M120-I183 VanDerWaalsContact CE-O 3.23Å; M120-I183 WeakPolarHBondContact CE-O 3.32Å; L128-I183 HydrophobicContact CB-CB 4.13Å; L128-I183 HydrophobicContact CD2-CB 4.27Å; L128-I183 HydrophobicContact CD2-CD1 3.8Å; L128-I183 HydrophobicContact CG-CB 4.5Å; L128-I183 PolarHBondContact N-O 3.21Å; L128-I183 PolarHBondContact O-N 3.16Å; L145-I183 HydrophobicContact CD2-CD1 4.09Å; L145-I183 HydrophobicContact CD2-CG1 4.25Å; L145-I183 HydrophobicContact CD2-CG2 3.67Å; M150-I183 HydrophobicContact CB-CG2 4.1Å; M150-I183 HydrophobicContact CG-CG2 4.48Å; M150-I183 HydrophobicContact SD-CG2 3.85Å; K151-I183 VanDerWaalsContact O-CA 3.32Å; K151-I183 WeakPolarHBondContact O-CA 3.33Å; C152-I183 HydrophobicContact CB-CG1 3.98Å
184	S	96.4	Very high	83.7	Confident	13 Å²	13	68.2 Å²	68.2	9%	0.091	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	167.3	179.8	53.5	0	0	0	0	110.4	M150 K151	M150-S184 CarbonylContact C-O 3.56Å; M150-S184 WeakPolarHBondContact CA-O 2.96Å; K151-S184 VanDerWaalsContact CE-OG 3.27Å; K151-S184 WeakPolarHBondContact CE-OG 3.49Å; K151-S184 PolarHBondContact N-O 3.45Å; K151-S184 PolarHBondContact O-N 3.31Å
185	F	94.4	Very high	83.2	Confident	29 Å²	29	71.1 Å²	71.1	13%	0.127	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	144.2	170.3	-76.4	-48.2	0	0	0	111.6	Y117 M120 M150 K151 K187	Y117-F185 AromaticContact CD2-CE1 3.55Å; Y117-F185 HydrophobicContact CD2-CE1 3.55Å; Y117-F185 HydrophobicContact CD2-CZ 4.02Å; Y117-F185 AromaticContact CE2-CE1 3.54Å; Y117-F185 HydrophobicContact CE2-CE1 3.54Å; Y117-F185 AromaticContact CE2-CZ 3.99Å; Y117-F185 HydrophobicContact CE2-CZ 3.99Å; Y117-F185 HydrophobicContact CG-CE1 4.47Å; M120-F185 VanDerWaalsContact C-CE2 3.49Å; M120-F185 HydrophobicContact CB-CD2 4.04Å; M120-F185 HydrophobicContact CB-CE1 4.28Å; M120-F185 HydrophobicContact CB-CE2 3.38Å; M120-F185 HydrophobicContact CB-CZ 3.5Å; M120-F185 VanDerWaalsContact CB-CZ 3.5Å; M150-F185 HydrophobicContact CE-CE1 4.26Å; M150-F185 HydrophobicContact CG-CD1 4.24Å; M150-F185 HydrophobicContact CG-CE1 4.5Å; K151-F185 WeakPolarHBondContact CE-O 3.49Å; F185-K187 PolarHBondContact O-N 2.98Å
186	A	86.1	Confident	82.7	Confident	37 Å²	37	61.3 Å²	61.3	31%	0.306	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.5	179.5	0	0	0	0	0	112.6	D149 D188 S189	D149-A186 WeakPolarHBondContact O-CB 3.43Å; D149-A186 PolarHBondContact O-N 3.45Å; A186-D188 PolarHBondContact O-N 2.87Å; A186-S189 PolarHBondContact O-OG 3.11Å
187	K	70.8	Confident	82.2	Confident	149 Å²	149	59.3 Å²	59.3	65%	0.648	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.5	-170.2	-73.1	177.5	177.5	133.8	0	116.2	D149 F185 S189	D149-K187 WeakPolarHBondContact OD2-CD 3.42Å; D149-K187 WeakPolarHBondContact OD2-CE 3.31Å; D149-K187 IonicContact OD2-NZ 2.79Å; D149-K187 PolarHBondContact OD2-NZ 2.74Å; F185-K187 PolarHBondContact O-N 2.98Å; K187-S189 PolarHBondContact O-N 3.17Å
188	D	56	Low	81.5	Confident	98 Å²	98	56.7 Å²	56.7	52%	0.524	31%	0.306	S	S	.	.			trans	-81.4	30.6	-178.4	-64.3	-47.8	0	0	0	114.1	A186	A186-D188 PolarHBondContact O-N 2.87Å
189	S	40.2	Very low	80.3	Confident	82 Å²	82	60.4 Å²	60.4	57%	0.573	33%	0.325	S	S	*	.			trans	-112.8	45	178.4	-32.9	0	0	0	0	111.1	K151 A186 K187	K151-S189 PolarHBondContact NZ-OG 3.26Å; A186-S189 PolarHBondContact O-OG 3.11Å; K187-S189 PolarHBondContact O-N 3.17Å
190	L	33.1	Very low	78.9	Confident	237 Å²	237	60.1 Å²	60.1	100%	1.241	33%	0.328	S	S	*	.			trans	-110.5	0	173	-79.1	168.4	0	0	0	111

Retrieved 190 of 190 residues in 259.8 ms (Link to these results)

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