A0A096MJW2_RAT Loading...

Fatty acyl-CoA reductase

Catalyzes the reduction of fatty acyl-CoA to fatty alcohols. Catalyzes the reduction of saturated and unsaturated C16 or C18 fatty acyl-CoA to fatty alcohols. It plays an essential role in the production of ether lipids/plasmalogens which synthesis requires fatty alcohols. In parallel, it is also required for wax monoesters production since fatty alcohols also constitute a substrate for their synthesis.

AlphaFold DB , UniProt , Accession A0A096MJW2, Species RAT (Rattus norvegicus, Rat), Gene Far1, Length 515 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	74.4	Confident	95.9	Very high	166 Å²	166	52.5 Å²	52.5	82%	0.818	29%	0.291	S	S	*	.				0	138	0	-95.3	-176.7	-107.1	0	0	107.4	S3	M1-S3 PolarHBondContact O-N 3.13Å
2	V	94.1	Very high	96.1	Very high	70 Å²	70	49.5 Å²	49.5	42%	0.424	28%	0.275	S	S	.	.			trans	-59.4	126.4	173.4	179.6	0	0	0	0	108.1	E6 W290	V2-E6 HydrophobicContact CG1-CB 3.62Å; V2-W290 WeakPolarHBondContact O-CZ2 3.47Å; V2-W290 PolarHBondContact O-NE1 3.31Å
3	S	97.9	Very high	96.3	Very high	21 Å²	21	45.7 Å²	45.7	15%	0.147	25%	0.253	C	S	.	.			trans	-68.8	165.5	176.3	62.3	0	0	0	0	111.8	M1 E6 Y7 D417	M1-S3 PolarHBondContact O-N 3.13Å; S3-E6 WeakPolarHBondContact CB-OE2 3.28Å; S3-E6 PolarHBondContact N-OE2 2.84Å; S3-E6 PolarHBondContact O-N 3.42Å; S3-E6 WeakPolarHBondContact OG-CB 3.32Å; S3-E6 WeakPolarHBondContact OG-CG 3.41Å; S3-E6 PolarHBondContact OG-N 3.37Å; S3-E6 PolarHBondContact OG-OE2 3.19Å; S3-Y7 PolarHBondContact O-N 2.78Å; S3-D417 VanDerWaalsContact CA-OD2 3.31Å; S3-D417 WeakPolarHBondContact CA-OD2 3.28Å; S3-D417 WeakPolarHBondContact CB-OD2 3.37Å
4	I	98.5	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.7	-49.5	176.4	-67.5	175.4	0	0	0	111.3	E6 Y7 Y8 A287 W290 L413 D417 F421	I4-E6 PolarHBondContact O-N 2.91Å; I4-Y7 PolarHBondContact O-N 2.79Å; I4-Y8 HydrophobicContact CG2-CD2 3.87Å; I4-Y8 HydrophobicContact CG2-CE2 3.73Å; I4-Y8 VanDerWaalsContact O-CD2 3.22Å; I4-Y8 WeakPolarHBondContact O-CD2 3.44Å; I4-Y8 PolarHBondContact O-N 2.88Å; I4-A287 HydrophobicContact CD1-CB 3.85Å; I4-W290 HydrophobicContact CB-CG 4.43Å; I4-W290 HydrophobicContact CG1-CB 3.98Å; I4-W290 HydrophobicContact CG1-CD2 3.8Å; I4-W290 HydrophobicContact CG1-CE3 4.19Å; I4-W290 HydrophobicContact CG1-CG 3.68Å; I4-L413 HydrophobicContact CD1-CD2 3.6Å; I4-L413 HydrophobicContact CG1-CD2 4.3Å; I4-D417 HydrophobicContact CD1-CB 4.28Å; I4-D417 HydrophobicContact CG1-CB 4.49Å; I4-D417 PolarHBondContact N-OD2 2.99Å; I4-F421 HydrophobicContact CB-CD2 3.92Å; I4-F421 HydrophobicContact CB-CE2 3.66Å; I4-F421 HydrophobicContact CB-CZ 4.21Å; I4-F421 HydrophobicContact CD1-CB 3.94Å; I4-F421 HydrophobicContact CD1-CD2 3.59Å; I4-F421 HydrophobicContact CD1-CE2 4.23Å; I4-F421 HydrophobicContact CD1-CG 3.77Å; I4-F421 HydrophobicContact CG1-CD2 4.31Å; I4-F421 HydrophobicContact CG2-CD1 4.44Å; I4-F421 HydrophobicContact CG2-CD2 3.98Å; I4-F421 HydrophobicContact CG2-CE1 4.04Å; I4-F421 HydrophobicContact CG2-CE2 3.54Å; I4-F421 HydrophobicContact CG2-CG 4.41Å; I4-F421 HydrophobicContact CG2-CZ 3.56Å
5	P	98.4	Very high	96.6	Very high	39 Å²	39	39.6 Å²	39.6	25%	0.253	22%	0.22	S	C	.	.	H	α-helix	trans	-62.2	-40.1	179.7	-24.9	36.7	0	0	0	113.7	Y7 Y8 E9 D417 F421	P5-Y7 VanDerWaalsContact C-N 3.33Å; P5-Y7 PolarHBondContact O-N 3.05Å; P5-Y8 PolarHBondContact O-N 3.44Å; P5-E9 PolarHBondContact O-N 2.78Å; P5-D417 WeakPolarHBondContact CD-OD1 3.45Å; P5-F421 HydrophobicContact CG-CE2 4.09Å; P5-F421 HydrophobicContact CG-CZ 4.47Å
6	E	98.4	Very high	96.7	Very high	109 Å²	109	37.1 Å²	37.1	51%	0.509	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-36.6	177.6	-72.9	166.6	154.8	0	0	112	V2 S3 I4 Y8 E9	V2-E6 HydrophobicContact CG1-CB 3.62Å; S3-E6 WeakPolarHBondContact CB-OE2 3.28Å; S3-E6 PolarHBondContact N-OE2 2.84Å; S3-E6 PolarHBondContact O-N 3.42Å; S3-E6 WeakPolarHBondContact OG-CB 3.32Å; S3-E6 WeakPolarHBondContact OG-CG 3.41Å; S3-E6 PolarHBondContact OG-N 3.37Å; S3-E6 PolarHBondContact OG-OE2 3.19Å; I4-E6 PolarHBondContact O-N 2.91Å; E6-Y8 VanDerWaalsContact C-N 3.3Å; E6-Y8 PolarHBondContact O-N 3.45Å; E6-E9 VanDerWaalsContact O-CB 3.31Å; E6-E9 WeakPolarHBondContact O-CB 3.15Å; E6-E9 PolarHBondContact O-N 2.82Å
7	Y	98.6	Very high	96.6	Very high	13 Å²	13	35.9 Å²	35.9	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-34.2	175.8	167.4	-94.5	0	0	0	112.7	S3 I4 P5 E9 K11 V107 E146 A289 W290 G293 V294	S3-Y7 PolarHBondContact O-N 2.78Å; I4-Y7 PolarHBondContact O-N 2.79Å; P5-Y7 VanDerWaalsContact C-N 3.33Å; P5-Y7 PolarHBondContact O-N 3.05Å; Y7-E9 VanDerWaalsContact C-N 3.33Å; Y7-K11 HydrophobicContact CE1-CD 4.42Å; Y7-K11 WeakPolarHBondContact O-CD 3.2Å; Y7-K11 WeakPolarHBondContact O-CE 3.49Å; Y7-K11 PolarHBondContact O-NZ 3.17Å; Y7-V107 HydrophobicContact CE1-CG2 4.36Å; Y7-E146 WeakPolarHBondContact CE2-OE2 3.42Å; Y7-E146 PolarHBondContact OH-OE2 3.28Å; Y7-A289 PolarHBondContact OH-O 2.91Å; Y7-W290 VanDerWaalsContact CB-CD1 3.41Å; Y7-W290 HydrophobicContact CD1-CB 4.08Å; Y7-W290 HydrophobicContact CE1-CB 4.47Å; Y7-W290 HydrophobicContact CG-CB 4.44Å; Y7-W290 AromaticContact CG-CD1 3.7Å; Y7-W290 HydrophobicContact CG-CG 4.46Å; Y7-G293 WeakPolarHBondContact OH-CA 3.16Å; Y7-V294 HydrophobicContact CD2-CG2 3.67Å; Y7-V294 HydrophobicContact CE2-CG2 4.19Å; Y7-V294 HydrophobicContact CG-CG2 4.45Å
8	Y	98.8	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-84.4	-7.5	178.9	-74.7	-69	0	0	0	113.5	I4 P5 E6 G10 K11 I13 L30 C34 V37 V107 F109 L286 A289	I4-Y8 HydrophobicContact CG2-CD2 3.87Å; I4-Y8 HydrophobicContact CG2-CE2 3.73Å; I4-Y8 VanDerWaalsContact O-CD2 3.22Å; I4-Y8 WeakPolarHBondContact O-CD2 3.44Å; I4-Y8 PolarHBondContact O-N 2.88Å; P5-Y8 PolarHBondContact O-N 3.44Å; E6-Y8 VanDerWaalsContact C-N 3.3Å; E6-Y8 PolarHBondContact O-N 3.45Å; Y8-G10 PolarHBondContact O-N 3.25Å; Y8-K11 PolarHBondContact O-N 3.12Å; Y8-I13 HydrophobicContact CD1-CD1 3.86Å; Y8-I13 HydrophobicContact CE1-CD1 4.06Å; Y8-L30 HydrophobicContact CD1-CD1 4.11Å; Y8-L30 HydrophobicContact CD2-CD1 4.42Å; Y8-L30 HydrophobicContact CE1-CD1 4.4Å; Y8-L30 HydrophobicContact CG-CD1 4.14Å; Y8-C34 HydrophobicContact CD2-CB 4.45Å; Y8-C34 HydrophobicContact CG-CB 4.41Å; Y8-V37 WeakPolarHBondContact O-CA 3.15Å; Y8-V107 HydrophobicContact CE1-CG2 4.37Å; Y8-F109 HydrophobicContact CE1-CE2 4.36Å; Y8-F109 HydrophobicContact CE1-CZ 4.44Å; Y8-F109 WeakPolarHBondContact OH-CZ 2.94Å; Y8-L286 HydrophobicContact CE2-CD2 4.3Å; Y8-L286 PolarHBondContact OH-O 3.21Å; Y8-A289 VanDerWaalsContact OH-CB 3.26Å; Y8-A289 WeakPolarHBondContact OH-CB 3.29Å
9	E	98.6	Very high	96.4	Very high	90 Å²	90	34.6 Å²	34.6	42%	0.421	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	127.6	178	-178.2	159.3	-176.8	0	0	111	P5 E6 Y7 K11 K36	P5-E9 PolarHBondContact O-N 2.78Å; E6-E9 VanDerWaalsContact O-CB 3.31Å; E6-E9 WeakPolarHBondContact O-CB 3.15Å; E6-E9 PolarHBondContact O-N 2.82Å; Y7-E9 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 2.93Å; E9-K11 VanDerWaalsContact O-N 3.12Å; E9-K36 HydrophobicContact CB-CB 4.19Å; E9-K36 HydrophobicContact CG-CB 3.86Å; E9-K36 HydrophobicContact CG-CD 3.85Å; E9-K36 WeakPolarHBondContact OE1-CD 3.36Å; E9-K36 IonicContact OE1-NZ 2.91Å; E9-K36 PolarHBondContact OE1-NZ 3.43Å; E9-K36 VanDerWaalsContact OE2-CD 3.28Å; E9-K36 WeakPolarHBondContact OE2-CD 3.41Å; E9-K36 IonicContact OE2-NZ 2.62Å; E9-K36 PolarHBondContact OE2-NZ 2.9Å
10	G	98.4	Very high	96.2	Very high	47 Å²	47	34.5 Å²	34.5	49%	0.485	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-0.1	179.4	0	0	0	0	0	115.6	Y8 K36 N38	Y8-G10 PolarHBondContact O-N 3.25Å; G10-K36 PolarHBondContact N-O 3.21Å; G10-N38 WeakPolarHBondContact O-CB 3.15Å
11	K	98.6	Very high	96.1	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.096	20%	0.203	C	C	.	.			trans	-82.5	148.8	-177.2	-66.7	-164.9	177.5	171.3	0	113.1	Y7 Y8 E9 I13 V37 N38 N106 V107 E146	Y7-K11 HydrophobicContact CE1-CD 4.42Å; Y7-K11 WeakPolarHBondContact O-CD 3.2Å; Y7-K11 WeakPolarHBondContact O-CE 3.49Å; Y7-K11 PolarHBondContact O-NZ 3.17Å; Y8-K11 PolarHBondContact O-N 3.12Å; E9-K11 PolarHBondContact O-N 2.93Å; E9-K11 VanDerWaalsContact O-N 3.12Å; K11-I13 HydrophobicContact CB-CD1 4.13Å; K11-V37 WeakPolarHBondContact O-CG2 3.48Å; K11-N38 PolarHBondContact O-N 3.35Å; K11-N106 WeakPolarHBondContact CA-OD1 3.43Å; K11-N106 HydrophobicContact CB-CB 4.08Å; K11-N106 HydrophobicContact CD-CB 4.09Å; K11-N106 HydrophobicContact CG-CB 4.15Å; K11-V107 HydrophobicContact CD-CG2 4.36Å; K11-E146 WeakPolarHBondContact CE-OE1 3.3Å; K11-E146 IonicContact NZ-OE1 2.63Å; K11-E146 PolarHBondContact NZ-OE1 3.49Å; K11-E146 IonicContact NZ-OE2 2.82Å; K11-E146 PolarHBondContact NZ-OE2 3.47Å
12	N	98.7	Very high	97.1	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.2	168.6	-59.9	-53.9	0	0	0	110.9	N38 S39 Y41 S104 N106 V107	N12-N38 PolarHBondContact OD1-ND2 3.32Å; N12-S39 CarbonylContact C-O 3.55Å; N12-S39 WeakPolarHBondContact CA-O 3.36Å; N12-S39 WeakPolarHBondContact OD1-CB 3.4Å; N12-S39 PolarHBondContact OD1-N 3.03Å; N12-Y41 HydrophobicContact CB-CD2 4.43Å; N12-Y41 HydrophobicContact CB-CE2 3.88Å; N12-S104 VanDerWaalsContact CB-O 3.27Å; N12-S104 WeakPolarHBondContact CB-O 3.25Å; N12-S104 PolarHBondContact ND2-O 2.86Å; N12-N106 PolarHBondContact N-OD1 3.44Å; N12-N106 PolarHBondContact O-N 2.9Å; N12-V107 PolarHBondContact O-N 2.88Å
13	I	98.8	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.9	-173	-48	-60.2	0	0	0	109.4	Y8 K11 L30 V37 S39 V40 Y41 V107 F109	Y8-I13 HydrophobicContact CD1-CD1 3.86Å; Y8-I13 HydrophobicContact CE1-CD1 4.06Å; K11-I13 HydrophobicContact CB-CD1 4.13Å; I13-L30 HydrophobicContact CB-CD2 4.34Å; I13-L30 HydrophobicContact CG1-CD2 4.02Å; I13-L30 HydrophobicContact CG2-CD2 4.18Å; I13-V37 HydrophobicContact CD1-CG2 4.36Å; I13-V37 HydrophobicContact CG1-CG2 3.64Å; I13-S39 PolarHBondContact N-O 2.95Å; I13-V40 HydrophobicContact CB-CG1 4.27Å; I13-V40 HydrophobicContact CB-CG2 4.31Å; I13-V40 CarbonylContact O-C 3.48Å; I13-V40 WeakPolarHBondContact O-CA 3.31Å; I13-Y41 PolarHBondContact O-N 2.75Å; I13-V107 CarbonylContact C-O 3.42Å; I13-V107 WeakPolarHBondContact CA-O 3.37Å; I13-V107 HydrophobicContact CD1-CB 3.69Å; I13-V107 HydrophobicContact CD1-CG2 4.03Å; I13-F109 HydrophobicContact CG2-CD2 3.54Å; I13-F109 HydrophobicContact CG2-CE2 3.86Å
14	L	98.8	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.5	169.4	-176.9	69.7	0	0	0	109.4	Y41 L43 I101 T105 V107 I108 F109 L135 M142	L14-Y41 WeakPolarHBondContact CA-O 3.48Å; L14-L43 HydrophobicContact CD1-CD1 4.34Å; L14-L43 HydrophobicContact CD1-CD2 3.79Å; L14-L43 HydrophobicContact CD1-CG 3.83Å; L14-L43 HydrophobicContact CG-CG 4.5Å; L14-I101 HydrophobicContact CD1-CD1 4.17Å; L14-I101 HydrophobicContact CD1-CG1 4.23Å; L14-I101 HydrophobicContact CD1-CG2 4.37Å; L14-I101 HydrophobicContact CD2-CG2 3.88Å; L14-T105 HydrophobicContact CB-CG2 3.73Å; L14-V107 PolarHBondContact N-O 3.39Å; L14-I108 HydrophobicContact CB-CG1 4.09Å; L14-I108 HydrophobicContact CD2-CG1 4.15Å; L14-I108 CarbonylContact O-C 3.57Å; L14-I108 WeakPolarHBondContact O-CA 3.47Å; L14-F109 PolarHBondContact O-N 2.75Å; L14-L135 HydrophobicContact CD2-CD1 4.18Å; L14-M142 HydrophobicContact CD2-CE 3.98Å
15	L	98.6	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118	-178.7	175.7	61.7	0	0	0	110.8	A18 L26 L27 V40 Y41 V42 L43 F109	L15-A18 HydrophobicContact CD2-CB 3.77Å; L15-A18 HydrophobicContact CG-CB 4Å; L15-L26 HydrophobicContact CD1-CD2 4.1Å; L15-L26 HydrophobicContact CD2-CD2 4.25Å; L15-L27 HydrophobicContact CD2-CB 3.97Å; L15-L27 HydrophobicContact CD2-CD1 4.33Å; L15-V40 HydrophobicContact CB-CG1 4.27Å; L15-Y41 PolarHBondContact N-O 3.38Å; L15-V42 HydrophobicContact CB-CG1 4.37Å; L15-V42 HydrophobicContact CD2-CG1 4.39Å; L15-L43 PolarHBondContact O-N 3.27Å; L15-F109 HydrophobicContact CD1-CB 3.68Å
16	T	97.9	Very high	97.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	148.1	167.4	90.1	0	0	0	0	110.4	A18 L43 F109 H110 C111 A112 L135	T16-A18 VanDerWaalsContact C-N 3.3Å; T16-A18 PolarHBondContact O-N 2.88Å; T16-L43 HydrophobicContact CG2-CD1 3.96Å; T16-L43 HydrophobicContact CG2-CG 4.42Å; T16-F109 PolarHBondContact N-O 2.87Å; T16-H110 PolarHBondContact OG1-ND1 3.49Å; T16-C111 WeakPolarHBondContact O-CB 3.5Å; T16-C111 PolarHBondContact O-N 2.74Å; T16-C111 PolarHBondContact OG1-N 3.22Å; T16-A112 WeakPolarHBondContact OG1-CB 3.37Å; T16-A112 PolarHBondContact OG1-N 3.04Å; T16-A112 VanDerWaalsContact OG1-N 3.11Å; T16-L135 HydrophobicContact CG2-CD1 4.46Å; T16-L135 HydrophobicContact CG2-CD2 3.72Å
17	G	95.1	Very high	97.2	Very high	17 Å²	17	18.6 Å²	18.6	18%	0.175	12%	0.117	C	C	.	.			trans	74.6	20.2	179.3	0	0	0	0	0	113.8	T19 G20	G17-T19 PolarHBondContact O-N 2.98Å; G17-G20 PolarHBondContact O-N 3Å
18	A	95.2	Very high	97.2	Very high	4 Å²	4	18 Å²	18	3%	0.033	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.4	177	0	0	0	0	0	113.4	L15 T16 K24 V42	L15-A18 HydrophobicContact CD2-CB 3.77Å; L15-A18 HydrophobicContact CG-CB 4Å; T16-A18 VanDerWaalsContact C-N 3.3Å; T16-A18 PolarHBondContact O-N 2.88Å; A18-K24 WeakPolarHBondContact O-CG 2.84Å; A18-K24 PolarHBondContact O-N 3.28Å; A18-V42 HydrophobicContact CB-CB 3.79Å; A18-V42 HydrophobicContact CB-CG1 3.74Å
19	T	93.2	Very high	97.1	Very high	43 Å²	43	18.1 Å²	18.1	26%	0.264	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.6	177.2	68.5	0	0	0	0	114.9	G17 K24 V44 I59	G17-T19 PolarHBondContact O-N 2.98Å; T19-K24 WeakPolarHBondContact O-CE 3.31Å; T19-V44 HydrophobicContact CG2-CG1 3.88Å; T19-V44 HydrophobicContact CG2-CG2 3.93Å; T19-I59 VanDerWaalsContact CB-CD1 3.47Å; T19-I59 HydrophobicContact CG2-CD1 3.34Å
20	G	93.4	Very high	97.1	Very high	32 Å²	32	13.9 Å²	13.9	33%	0.33	10%	0.095	S	C	.	.	S	Bend	trans	-89.2	165	176.6	0	0	0	0	0	112.7	G17 L22 G23 K24	G17-G20 PolarHBondContact O-N 3Å; G20-L22 PolarHBondContact O-N 3.42Å; G20-G23 PolarHBondContact O-N 3.43Å; G20-K24 WeakPolarHBondContact O-CG 3.4Å; G20-K24 PolarHBondContact O-N 3.06Å
21	F	94.1	Very high	97.1	Very high	36 Å²	36	11.8 Å²	11.8	16%	0.158	7%	0.072	C	C	.	.	H	α-helix	trans	-50.1	-55.6	-175.6	176.4	-127.6	0	0	0	113.5	V232 G233 W243 I244 D245 N246 V278	F21-V232 HydrophobicContact CD1-CG1 4.39Å; F21-V232 HydrophobicContact CE1-CB 4.49Å; F21-V232 HydrophobicContact CE1-CG1 3.8Å; F21-G233 WeakPolarHBondContact CE1-O 3.2Å; F21-G233 WeakPolarHBondContact CZ-O 3.44Å; F21-W243 AromaticContact CD2-CH2 3.99Å; F21-W243 HydrophobicContact CD2-CH2 3.99Å; F21-W243 AromaticContact CD2-CZ3 3.62Å; F21-W243 HydrophobicContact CD2-CZ3 3.62Å; F21-W243 AromaticContact CE2-CE3 3.85Å; F21-W243 HydrophobicContact CE2-CE3 3.85Å; F21-W243 HydrophobicContact CE2-CH2 4.07Å; F21-W243 AromaticContact CE2-CZ3 3.29Å; F21-W243 HydrophobicContact CE2-CZ3 3.29Å; F21-W243 HydrophobicContact CZ-CZ3 4.39Å; F21-I244 HydrophobicContact CD2-CD1 4.2Å; F21-I244 HydrophobicContact CE1-CD1 3.95Å; F21-I244 HydrophobicContact CE2-CD1 3.48Å; F21-I244 VanDerWaalsContact CE2-CD1 3.48Å; F21-I244 HydrophobicContact CZ-CD1 3.34Å; F21-D245 VanDerWaalsContact CD2-OD1 3.31Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.46Å; F21-N246 VanDerWaalsContact CD2-ND2 3.33Å; F21-N246 WeakPolarHBondContact CD2-ND2 3.37Å; F21-N246 VanDerWaalsContact CG-ND2 3.26Å; F21-N246 WeakPolarHBondContact CG-ND2 3.44Å; F21-V278 HydrophobicContact CD1-CG2 4.28Å; F21-V278 HydrophobicContact CE1-CB 3.83Å; F21-V278 HydrophobicContact CE1-CG1 4.41Å; F21-V278 HydrophobicContact CE1-CG2 3.81Å; F21-V278 HydrophobicContact CE2-CG1 4.34Å; F21-V278 HydrophobicContact CE2-CG2 4.45Å; F21-V278 HydrophobicContact CZ-CB 3.7Å; F21-V278 HydrophobicContact CZ-CG1 3.77Å; F21-V278 HydrophobicContact CZ-CG2 3.89Å
22	L	95.9	Very high	97.1	Very high	24 Å²	24	11.5 Å²	11.5	13%	0.126	7%	0.071	C	C	.	.	H	α-helix	trans	-66.5	-42.6	179.6	-176.6	67.3	0	0	0	112.4	G20 K24 V25 L26 V151 V278 V281 V282	G20-L22 PolarHBondContact O-N 3.42Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.32Å; L22-V25 PolarHBondContact O-N 2.97Å; L22-L26 PolarHBondContact O-N 3.3Å; L22-V151 HydrophobicContact CD2-CG1 3.74Å; L22-V151 HydrophobicContact CD2-CG2 4.23Å; L22-V278 HydrophobicContact CD1-CG2 3.77Å; L22-V281 HydrophobicContact CD1-CB 3.97Å; L22-V281 HydrophobicContact CD1-CG1 3.71Å; L22-V281 HydrophobicContact CD2-CG1 4.12Å; L22-V282 HydrophobicContact CD1-CG2 3.62Å; L22-V282 HydrophobicContact CG-CG2 4.49Å
23	G	96.8	Very high	97	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-36.2	-176.6	0	0	0	0	0	113.3	G20 L26 L27	G20-G23 PolarHBondContact O-N 3.43Å; G23-L26 PolarHBondContact O-N 2.63Å; G23-L27 WeakPolarHBondContact O-CB 3.22Å; G23-L27 PolarHBondContact O-N 3.06Å
24	K	96.3	Very high	97	Very high	37 Å²	37	11.4 Å²	11.4	16%	0.161	7%	0.072	C	C	.	.	H	α-helix	trans	-63.7	-45	174.9	-65.7	177.9	-166.6	177.8	0	111.9	A18 T19 G20 L22 L26 L27 E28 I59 L64 D245	A18-K24 WeakPolarHBondContact O-CG 2.84Å; A18-K24 PolarHBondContact O-N 3.28Å; T19-K24 WeakPolarHBondContact O-CE 3.31Å; G20-K24 WeakPolarHBondContact O-CG 3.4Å; G20-K24 PolarHBondContact O-N 3.06Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.32Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L27 PolarHBondContact O-N 3.43Å; K24-E28 WeakPolarHBondContact O-CB 3.08Å; K24-E28 PolarHBondContact O-N 3.23Å; K24-I59 HydrophobicContact CD-CG2 3.82Å; K24-I59 HydrophobicContact CG-CG2 3.73Å; K24-L64 HydrophobicContact CB-CD2 3.52Å; K24-D245 IonicContact NZ-OD2 2.9Å; K24-D245 PolarHBondContact NZ-OD2 3.06Å
25	V	97.9	Very high	96.9	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-67	-38.4	178.8	-175.3	0	0	0	0	110.3	L22 E28 K29 L64 W243 V278 V282	L22-V25 PolarHBondContact O-N 2.97Å; V25-E28 PolarHBondContact O-N 3.47Å; V25-K29 WeakPolarHBondContact O-CB 3.07Å; V25-K29 PolarHBondContact O-N 3.35Å; V25-L64 HydrophobicContact CG2-CD1 4.08Å; V25-L64 HydrophobicContact CG2-CD2 4.39Å; V25-W243 HydrophobicContact CG2-CE3 3.87Å; V25-W243 HydrophobicContact CG2-CH2 4Å; V25-W243 HydrophobicContact CG2-CZ3 3.23Å; V25-V278 HydrophobicContact CB-CG2 4.1Å; V25-V278 HydrophobicContact CG1-CG1 4.4Å; V25-V278 HydrophobicContact CG1-CG2 4.36Å; V25-V278 HydrophobicContact CG2-CG1 4.08Å; V25-V278 HydrophobicContact CG2-CG2 3.84Å; V25-V282 HydrophobicContact CB-CG2 3.9Å; V25-V282 HydrophobicContact CG1-CB 4.35Å; V25-V282 HydrophobicContact CG1-CG2 3.78Å
26	L	98.6	Very high	96.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-48.7	174.4	-169.7	157.7	0	0	0	111.4	L15 L22 G23 K24 K29 L30 F109 V282	L15-L26 HydrophobicContact CD1-CD2 4.1Å; L15-L26 HydrophobicContact CD2-CD2 4.25Å; L22-L26 PolarHBondContact O-N 3.3Å; G23-L26 PolarHBondContact O-N 2.63Å; K24-L26 VanDerWaalsContact C-N 3.33Å; L26-K29 PolarHBondContact O-N 2.9Å; L26-L30 WeakPolarHBondContact O-CB 3.04Å; L26-L30 PolarHBondContact O-N 3.43Å; L26-F109 HydrophobicContact CD1-CB 4.19Å; L26-F109 HydrophobicContact CD1-CD1 3.74Å; L26-F109 HydrophobicContact CD1-CE1 4.29Å; L26-F109 HydrophobicContact CD1-CG 3.97Å; L26-F109 HydrophobicContact CD2-CD2 4.22Å; L26-F109 HydrophobicContact CD2-CG 4.24Å; L26-V282 HydrophobicContact CB-CG1 4.21Å; L26-V282 HydrophobicContact CB-CG2 4.03Å; L26-V282 HydrophobicContact CG-CG1 4.41Å
27	L	98.4	Very high	96.9	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-59.2	-47.8	178	-177.3	62.1	0	0	0	111.7	L15 G23 K24 L31 V40 V42 L60 F65 I79	L15-L27 HydrophobicContact CD2-CB 3.97Å; L15-L27 HydrophobicContact CD2-CD1 4.33Å; G23-L27 WeakPolarHBondContact O-CB 3.22Å; G23-L27 PolarHBondContact O-N 3.06Å; K24-L27 PolarHBondContact O-N 3.43Å; L27-L31 HydrophobicContact CD1-CD1 3.69Å; L27-L31 HydrophobicContact CD1-CG 4.31Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.38Å; L27-L31 VanDerWaalsContact O-N 3.1Å; L27-V40 HydrophobicContact CD1-CB 4.12Å; L27-V40 HydrophobicContact CD1-CG1 3.65Å; L27-V40 HydrophobicContact CD1-CG2 4.41Å; L27-V42 HydrophobicContact CD1-CG1 4.39Å; L27-V42 HydrophobicContact CD2-CG1 4.38Å; L27-L60 HydrophobicContact CD2-CD2 4.29Å; L27-F65 HydrophobicContact CD2-CE1 4.43Å; L27-F65 HydrophobicContact CD2-CZ 4.38Å; L27-F65 HydrophobicContact CG-CE1 4.38Å; L27-I79 HydrophobicContact CD1-CG1 4.45Å; L27-I79 HydrophobicContact CD2-CD1 4.24Å
28	E	98.2	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.3	-51.7	176.8	-171.4	-79.2	153.4	0	0	111.5	K24 V25 L30 L31 R32 L64 F65 L68	K24-E28 WeakPolarHBondContact O-CB 3.08Å; K24-E28 PolarHBondContact O-N 3.23Å; V25-E28 PolarHBondContact O-N 3.47Å; E28-L30 PolarHBondContact O-N 2.78Å; E28-L31 PolarHBondContact O-N 3.18Å; E28-R32 VanDerWaalsContact O-CB 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.29Å; E28-R32 PolarHBondContact O-N 3.41Å; E28-R32 VanDerWaalsContact OE1-CD 3.28Å; E28-R32 WeakPolarHBondContact OE1-CD 3.39Å; E28-R32 IonicContact OE1-CZ 3.15Å; E28-R32 IonicContact OE1-NE 2.81Å; E28-R32 PolarHBondContact OE1-NE 3.23Å; E28-R32 IonicContact OE1-NH2 3.94Å; E28-R32 IonicContact OE2-NE 4Å; E28-R32 IonicContact OE2-NH2 2.83Å; E28-L64 HydrophobicContact CB-CD2 4.31Å; E28-L64 HydrophobicContact CB-CG 4.28Å; E28-L64 HydrophobicContact CG-CG 4.28Å; E28-F65 HydrophobicContact CB-CD1 3.98Å; E28-F65 HydrophobicContact CB-CE1 3.74Å; E28-F65 HydrophobicContact CB-CZ 4.38Å; E28-F65 HydrophobicContact CG-CD1 4.02Å; E28-F65 HydrophobicContact CG-CE1 4.31Å; E28-L68 HydrophobicContact CG-CB 4.23Å
29	K	98.3	Very high	97.1	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.013	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-43.1	-175.6	-179.2	62.2	-177.6	170	0	111.8	V25 L26 R32 S33 E238 V282 N283 L286 T420	V25-K29 WeakPolarHBondContact O-CB 3.07Å; V25-K29 PolarHBondContact O-N 3.35Å; L26-K29 PolarHBondContact O-N 2.9Å; K29-R32 PolarHBondContact O-N 3.12Å; K29-S33 WeakPolarHBondContact CD-OG 3.38Å; K29-S33 WeakPolarHBondContact CE-OG 3.48Å; K29-S33 PolarHBondContact NZ-OG 3Å; K29-S33 VanDerWaalsContact O-CB 3.24Å; K29-S33 WeakPolarHBondContact O-CB 3.38Å; K29-S33 PolarHBondContact O-N 3.48Å; K29-S33 PolarHBondContact O-OG 3.43Å; K29-S33 VanDerWaalsContact O-OG 3.06Å; K29-E238 WeakPolarHBondContact CE-OE2 3.28Å; K29-E238 IonicContact NZ-OE1 3.38Å; K29-E238 PolarHBondContact NZ-OE1 2.6Å; K29-E238 IonicContact NZ-OE2 3.87Å; K29-E238 PolarHBondContact NZ-OE2 3.29Å; K29-V282 HydrophobicContact CB-CG1 3.63Å; K29-V282 HydrophobicContact CG-CG1 3.79Å; K29-N283 WeakPolarHBondContact CE-OD1 3.43Å; K29-L286 HydrophobicContact CB-CD1 4.29Å; K29-L286 HydrophobicContact CG-CD1 3.7Å; K29-T420 WeakPolarHBondContact CE-O 3.39Å; K29-T420 PolarHBondContact NZ-O 3.12Å
30	L	98.6	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-52.6	177.1	175.2	68	0	0	0	110.7	Y8 I13 L26 E28 R32 C34 V40 L286	Y8-L30 HydrophobicContact CD1-CD1 4.11Å; Y8-L30 HydrophobicContact CD2-CD1 4.42Å; Y8-L30 HydrophobicContact CE1-CD1 4.4Å; Y8-L30 HydrophobicContact CG-CD1 4.14Å; I13-L30 HydrophobicContact CB-CD2 4.34Å; I13-L30 HydrophobicContact CG1-CD2 4.02Å; I13-L30 HydrophobicContact CG2-CD2 4.18Å; L26-L30 WeakPolarHBondContact O-CB 3.04Å; L26-L30 PolarHBondContact O-N 3.43Å; E28-L30 PolarHBondContact O-N 2.78Å; L30-R32 VanDerWaalsContact C-N 3.29Å; L30-R32 PolarHBondContact O-N 2.8Å; L30-C34 HydrophobicContact CD1-CB 4.05Å; L30-C34 CarbonylContact O-C 3.53Å; L30-C34 VanDerWaalsContact O-CA 3.31Å; L30-C34 WeakPolarHBondContact O-CA 3.47Å; L30-C34 VanDerWaalsContact O-CB 3.25Å; L30-C34 WeakPolarHBondContact O-CB 3.44Å; L30-C34 PolarHBondContact O-N 2.95Å; L30-V40 HydrophobicContact CD2-CG2 3.86Å; L30-L286 HydrophobicContact CB-CD2 4.32Å; L30-L286 HydrophobicContact CD1-CD2 3.94Å
31	L	98.3	Very high	97.6	Very high	3 Å²	3	21 Å²	21	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-67.9	-30.4	-177.2	-70.3	168.2	0	0	0	112.7	L27 E28 V37 V40 L68 F75 K78 I79	L27-L31 HydrophobicContact CD1-CD1 3.69Å; L27-L31 HydrophobicContact CD1-CG 4.31Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 WeakPolarHBondContact O-CB 3.5Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.38Å; L27-L31 VanDerWaalsContact O-N 3.1Å; E28-L31 PolarHBondContact O-N 3.18Å; L31-V37 HydrophobicContact CD2-CG1 3.85Å; L31-V40 HydrophobicContact CD2-CG2 4.04Å; L31-L68 HydrophobicContact CB-CD1 3.95Å; L31-L68 HydrophobicContact CB-CD2 3.74Å; L31-L68 HydrophobicContact CD1-CD2 4.17Å; L31-F75 HydrophobicContact CD1-CD2 4.01Å; L31-K78 HydrophobicContact CD2-CB 4.13Å; L31-K78 HydrophobicContact CD2-CD 4.31Å; L31-I79 HydrophobicContact CD1-CD1 3.63Å; L31-I79 HydrophobicContact CD1-CG1 3.8Å
32	R	97.6	Very high	97.8	Very high	16 Å²	16	19.2 Å²	19.2	6%	0.06	10%	0.098	C	C	.	.	H	α-helix	trans	-79	-43.9	179	-172.6	171.2	49.6	77.7	1.5	112.5	E28 K29 L30 L68 E71 E238	E28-R32 VanDerWaalsContact O-CB 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.29Å; E28-R32 PolarHBondContact O-N 3.41Å; E28-R32 VanDerWaalsContact OE1-CD 3.28Å; E28-R32 WeakPolarHBondContact OE1-CD 3.39Å; E28-R32 IonicContact OE1-CZ 3.15Å; E28-R32 IonicContact OE1-NE 2.81Å; E28-R32 PolarHBondContact OE1-NE 3.23Å; E28-R32 IonicContact OE1-NH2 3.94Å; E28-R32 IonicContact OE2-NE 4Å; E28-R32 IonicContact OE2-NH2 2.83Å; K29-R32 PolarHBondContact O-N 3.12Å; L30-R32 VanDerWaalsContact C-N 3.29Å; L30-R32 PolarHBondContact O-N 2.8Å; R32-L68 HydrophobicContact CB-CD1 3.72Å; R32-L68 HydrophobicContact CG-CD1 4.38Å; R32-E71 WeakPolarHBondContact CD-OE2 3.34Å; R32-E71 WeakPolarHBondContact CG-OE2 3.43Å; R32-E238 IonicContact CZ-OE1 3.69Å; R32-E238 VanDerWaalsContact CZ-OE1 3.22Å; R32-E238 IonicContact NH1-OE1 2.75Å; R32-E238 PolarHBondContact NH1-OE1 2.92Å; R32-E238 VanDerWaalsContact NH2-CD 3.32Å; R32-E238 IonicContact NH2-OE1 3.92Å; R32-E238 PolarHBondContact NH2-OE1 2.93Å; R32-E238 IonicContact NH2-OE2 3.46Å
33	S	97.6	Very high	97.9	Very high	15 Å²	15	18.7 Å²	18.7	11%	0.105	10%	0.095	C	C	.	.	H	α-helix	trans	-95.2	-19.1	-171.6	-47.3	0	0	0	0	113	K29 P35 F421	K29-S33 WeakPolarHBondContact CD-OG 3.38Å; K29-S33 WeakPolarHBondContact CE-OG 3.48Å; K29-S33 PolarHBondContact NZ-OG 3Å; K29-S33 VanDerWaalsContact O-CB 3.24Å; K29-S33 WeakPolarHBondContact O-CB 3.38Å; K29-S33 PolarHBondContact O-N 3.48Å; K29-S33 PolarHBondContact O-OG 3.43Å; K29-S33 VanDerWaalsContact O-OG 3.06Å; S33-P35 WeakPolarHBondContact O-CD 3.25Å; S33-F421 VanDerWaalsContact CB-CZ 3.49Å
34	C	97.9	Very high	97.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.095	C	C	.	.			trans	-123.5	61.1	174.3	-52.2	0	0	0	0	109.6	Y8 L30 K36 V37	Y8-C34 HydrophobicContact CD2-CB 4.45Å; Y8-C34 HydrophobicContact CG-CB 4.41Å; L30-C34 HydrophobicContact CD1-CB 4.05Å; L30-C34 CarbonylContact O-C 3.53Å; L30-C34 VanDerWaalsContact O-CA 3.31Å; L30-C34 WeakPolarHBondContact O-CA 3.47Å; L30-C34 VanDerWaalsContact O-CB 3.25Å; L30-C34 WeakPolarHBondContact O-CB 3.44Å; L30-C34 PolarHBondContact O-N 2.95Å; C34-K36 PolarHBondContact O-N 3.46Å; C34-V37 WeakPolarHBondContact O-CG1 3.23Å; C34-V37 PolarHBondContact O-N 3.31Å
35	P	96.6	Very high	97.5	Very high	47 Å²	47	22.2 Å²	22.2	31%	0.305	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.4	-170.6	27.9	-36.8	0	0	0	113.1	S33 V37 N72 K78	S33-P35 WeakPolarHBondContact O-CD 3.25Å; P35-V37 VanDerWaalsContact C-N 3.34Å; P35-N72 WeakPolarHBondContact CB-OD1 3.47Å; P35-K78 PolarHBondContact O-NZ 2.85Å
36	K	97.8	Very high	97	Very high	125 Å²	125	28 Å²	28	54%	0.543	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	8.4	176.9	-58.4	-173.4	-178.3	178.6	0	114.7	E9 G10 C34	E9-K36 HydrophobicContact CB-CB 4.19Å; E9-K36 HydrophobicContact CG-CB 3.86Å; E9-K36 HydrophobicContact CG-CD 3.85Å; E9-K36 WeakPolarHBondContact OE1-CD 3.36Å; E9-K36 IonicContact OE1-NZ 2.91Å; E9-K36 PolarHBondContact OE1-NZ 3.43Å; E9-K36 VanDerWaalsContact OE2-CD 3.28Å; E9-K36 WeakPolarHBondContact OE2-CD 3.41Å; E9-K36 IonicContact OE2-NZ 2.62Å; E9-K36 PolarHBondContact OE2-NZ 2.9Å; G10-K36 PolarHBondContact N-O 3.21Å; C34-K36 PolarHBondContact O-N 3.46Å
37	V	98.3	Very high	96.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	16%	0.157	C	C	.	.			trans	-56.6	140.3	166.7	70.5	0	0	0	0	109.5	Y8 K11 I13 L31 C34 P35 V40 K78	Y8-V37 WeakPolarHBondContact O-CA 3.15Å; K11-V37 WeakPolarHBondContact O-CG2 3.48Å; I13-V37 HydrophobicContact CD1-CG2 4.36Å; I13-V37 HydrophobicContact CG1-CG2 3.64Å; L31-V37 HydrophobicContact CD2-CG1 3.85Å; C34-V37 WeakPolarHBondContact O-CG1 3.23Å; C34-V37 PolarHBondContact O-N 3.31Å; P35-V37 VanDerWaalsContact C-N 3.34Å; V37-V40 HydrophobicContact CG1-CG2 4.4Å; V37-V40 HydrophobicContact CG2-CG2 4.41Å; V37-K78 HydrophobicContact CG1-CD 4.41Å; V37-K78 WeakPolarHBondContact O-CD 3.44Å
38	N	98.2	Very high	95.5	Very high	86 Å²	86	37.8 Å²	37.8	46%	0.46	19%	0.194	S	C	.	.			trans	-75.5	-64.8	-175.6	-176	60.8	0	0	0	110.7	G10 K11 N12 K78	G10-N38 WeakPolarHBondContact O-CB 3.15Å; K11-N38 PolarHBondContact O-N 3.35Å; N12-N38 PolarHBondContact OD1-ND2 3.32Å; N38-K78 WeakPolarHBondContact O-CG 3.39Å
39	S	98.1	Very high	94.8	Very high	16 Å²	16	41.7 Å²	41.7	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.6	-179.6	-62.5	0	0	0	0	111.7	N12 I13 K78	N12-S39 CarbonylContact C-O 3.55Å; N12-S39 WeakPolarHBondContact CA-O 3.36Å; N12-S39 WeakPolarHBondContact OD1-CB 3.4Å; N12-S39 PolarHBondContact OD1-N 3.03Å; I13-S39 PolarHBondContact N-O 2.95Å; S39-K78 CarbonylContact C-O 3.57Å; S39-K78 WeakPolarHBondContact CA-O 3.45Å
40	V	98.6	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	103.6	171.1	-171.3	0	0	0	0	108.6	I13 L15 L27 L30 L31 V37 V42 K78 I80	I13-V40 HydrophobicContact CB-CG1 4.27Å; I13-V40 HydrophobicContact CB-CG2 4.31Å; I13-V40 CarbonylContact O-C 3.48Å; I13-V40 WeakPolarHBondContact O-CA 3.31Å; L15-V40 HydrophobicContact CB-CG1 4.27Å; L27-V40 HydrophobicContact CD1-CB 4.12Å; L27-V40 HydrophobicContact CD1-CG1 3.65Å; L27-V40 HydrophobicContact CD1-CG2 4.41Å; L30-V40 HydrophobicContact CD2-CG2 3.86Å; L31-V40 HydrophobicContact CD2-CG2 4.04Å; V37-V40 HydrophobicContact CG1-CG2 4.4Å; V37-V40 HydrophobicContact CG2-CG2 4.41Å; V40-V42 HydrophobicContact CG1-CG1 4.07Å; V40-V42 PolarHBondContact O-N 3.4Å; V40-K78 PolarHBondContact N-O 3.15Å; V40-I80 PolarHBondContact O-N 2.91Å
41	Y	98.4	Very high	94	Very high	20 Å²	20	47.4 Å²	47.4	8%	0.078	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.9	172.5	-60.2	-74.8	0	0	0	109.3	N12 I13 L14 L15 I80 I82 I100 S104	N12-Y41 HydrophobicContact CB-CD2 4.43Å; N12-Y41 HydrophobicContact CB-CE2 3.88Å; I13-Y41 PolarHBondContact O-N 2.75Å; L14-Y41 WeakPolarHBondContact CA-O 3.48Å; L15-Y41 PolarHBondContact N-O 3.38Å; Y41-I80 CarbonylContact C-O 3.37Å; Y41-I80 WeakPolarHBondContact CA-O 3.48Å; Y41-I80 HydrophobicContact CD1-CB 3.74Å; Y41-I80 HydrophobicContact CD1-CD1 4.02Å; Y41-I80 HydrophobicContact CD1-CG1 4.45Å; Y41-I80 HydrophobicContact CD1-CG2 3.83Å; Y41-I80 HydrophobicContact CE1-CB 4.06Å; Y41-I80 HydrophobicContact CE1-CD1 3.46Å; Y41-I80 VanDerWaalsContact CE1-CD1 3.46Å; Y41-I80 HydrophobicContact CE1-CG1 4.35Å; Y41-I80 HydrophobicContact CE1-CG2 4.03Å; Y41-I82 HydrophobicContact CD1-CD1 3.62Å; Y41-I82 HydrophobicContact CD1-CG1 4.43Å; Y41-I82 HydrophobicContact CE1-CD1 4.47Å; Y41-I82 HydrophobicContact CG-CD1 4.17Å; Y41-I100 HydrophobicContact CE1-CG2 3.88Å; Y41-S104 VanDerWaalsContact CE2-OG 3.26Å; Y41-S104 WeakPolarHBondContact CE2-OG 3.15Å; Y41-S104 PolarHBondContact OH-OG 3.25Å
42	V	97.9	Very high	93.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.7	-179.6	-63.7	0	0	0	0	110.3	L15 A18 L27 V40 V44 V56 I79 I80 A81 I82	L15-V42 HydrophobicContact CB-CG1 4.37Å; L15-V42 HydrophobicContact CD2-CG1 4.39Å; A18-V42 HydrophobicContact CB-CB 3.79Å; A18-V42 HydrophobicContact CB-CG1 3.74Å; L27-V42 HydrophobicContact CD1-CG1 4.39Å; L27-V42 HydrophobicContact CD2-CG1 4.38Å; V40-V42 HydrophobicContact CG1-CG1 4.07Å; V40-V42 PolarHBondContact O-N 3.4Å; V42-V44 HydrophobicContact CB-CG2 4.25Å; V42-V44 HydrophobicContact CG2-CG2 4.07Å; V42-V44 PolarHBondContact O-N 2.79Å; V42-V56 HydrophobicContact CG2-CG2 3.63Å; V42-I79 HydrophobicContact CG1-CG2 4.2Å; V42-I79 HydrophobicContact CG2-CG2 3.87Å; V42-I80 PolarHBondContact N-O 3.49Å; V42-A81 HydrophobicContact CG2-CB 4.12Å; V42-I82 PolarHBondContact O-N 2.89Å
43	L	96.7	Very high	93.5	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	112.2	176.5	-63.3	-164.7	0	0	0	109.8	L14 L15 T16 I82 L86 L93 I101	L14-L43 HydrophobicContact CD1-CD1 4.34Å; L14-L43 HydrophobicContact CD1-CD2 3.79Å; L14-L43 HydrophobicContact CD1-CG 3.83Å; L14-L43 HydrophobicContact CG-CG 4.5Å; L15-L43 PolarHBondContact O-N 3.27Å; T16-L43 HydrophobicContact CG2-CD1 3.96Å; T16-L43 HydrophobicContact CG2-CG 4.42Å; L43-I82 HydrophobicContact CD2-CB 3.83Å; L43-I82 HydrophobicContact CD2-CG2 3.7Å; L43-L86 HydrophobicContact CD1-CD2 4.17Å; L43-L93 HydrophobicContact CD2-CD2 4.11Å; L43-I101 HydrophobicContact CD2-CD1 4.12Å
44	V	94.4	Very high	93.4	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122	-174.7	-178.1	0	0	0	0	109.9	T19 V42 P52 R55 V56 I82 N83 S84	T19-V44 HydrophobicContact CG2-CG1 3.88Å; T19-V44 HydrophobicContact CG2-CG2 3.93Å; V42-V44 HydrophobicContact CB-CG2 4.25Å; V42-V44 HydrophobicContact CG2-CG2 4.07Å; V42-V44 PolarHBondContact O-N 2.79Å; V44-P52 HydrophobicContact CB-CB 4.14Å; V44-P52 HydrophobicContact CG1-CB 4.39Å; V44-R55 HydrophobicContact CG1-CB 4.09Å; V44-V56 HydrophobicContact CG2-CG2 3.84Å; V44-I82 PolarHBondContact N-O 2.88Å; V44-N83 WeakPolarHBondContact O-CA 3.2Å; V44-S84 CarbonylContact C-O 3.53Å; V44-S84 PolarHBondContact O-N 3.23Å
45	R	90.6	Very high	93.2	Very high	110 Å²	110	57 Å²	57	42%	0.415	31%	0.308	S	S	.	.			trans	-68.3	146	172.7	66.8	178.2	177.9	-178.2	-4.1	112	R55 S84 E85	R45-R55 WeakPolarHBondContact O-CD 3.48Å; R45-R55 PolarHBondContact O-NH1 3.36Å; R45-S84 WeakPolarHBondContact CA-O 3.46Å; R45-S84 WeakPolarHBondContact CB-O 3.42Å; R45-S84 PolarHBondContact N-O 3.5Å; R45-S84 VanDerWaalsContact N-O 3.12Å; R45-E85 WeakPolarHBondContact CD-OE2 3.47Å; R45-E85 IonicContact NH1-OE2 3.52Å; R45-E85 PolarHBondContact NH1-OE2 3.17Å
46	Q	88.3	Confident	93.1	Very high	124 Å²	124	55.1 Å²	55.1	58%	0.579	30%	0.296	S	S	*	.			trans	-60.9	142.4	159.7	-75.7	172	5.3	0	0	110.7	P52 N83	Q46-P52 HydrophobicContact CG-CG 4.11Å; Q46-N83 WeakPolarHBondContact CG-OD1 3.27Å; Q46-N83 PolarHBondContact N-OD1 2.83Å
47	K	84.2	Confident	92.9	Very high	113 Å²	113	53.5 Å²	53.5	49%	0.491	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-155.4	136.5	177.8	-169.6	179.3	176.8	-169.5	0	110.8	G49 Q50	K47-G49 PolarHBondContact O-N 3.33Å; K47-Q50 PolarHBondContact N-O 3.22Å; K47-Q50 WeakPolarHBondContact O-CB 3.35Å; K47-Q50 PolarHBondContact O-N 3.49Å
48	A	80.4	Confident	92.7	Very high	97 Å²	97	59 Å²	59	80%	0.802	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	37	173.5	0	0	0	0	0	114	Q50	A48-Q50 PolarHBondContact O-N 2.85Å
49	G	83.5	Confident	92.5	Very high	82 Å²	82	56.1 Å²	56.1	85%	0.845	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-2.7	-179	0	0	0	0	0	115.2	K47	K47-G49 PolarHBondContact O-N 3.33Å
50	Q	87.9	Confident	92.4	Very high	67 Å²	67	55.4 Å²	55.4	31%	0.313	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-85.2	136	174.8	-62	175.3	-53.2	0	0	111.2	K47 A48 E54 R55 E58	K47-Q50 PolarHBondContact N-O 3.22Å; K47-Q50 WeakPolarHBondContact O-CB 3.35Å; K47-Q50 PolarHBondContact O-N 3.49Å; A48-Q50 PolarHBondContact O-N 2.85Å; Q50-E54 WeakPolarHBondContact CA-OE2 3.31Å; Q50-E54 HydrophobicContact CB-CB 4.44Å; Q50-R55 HydrophobicContact CB-CG 3.68Å; Q50-E58 PolarHBondContact NE2-OE2 2.83Å; Q50-E58 VanDerWaalsContact NE2-OE2 3.09Å
51	T	92.6	Very high	92.1	Very high	57 Å²	57	59.2 Å²	59.2	35%	0.35	32%	0.322	S	S	.	.			trans	-66.2	158	168.6	63.3	0	0	0	0	111.2	Q53 E54 R55	T51-Q53 PolarHBondContact O-N 3.42Å; T51-E54 WeakPolarHBondContact CB-OE2 3.16Å; T51-E54 PolarHBondContact N-OE2 2.95Å; T51-E54 PolarHBondContact O-N 3.37Å; T51-E54 WeakPolarHBondContact OG1-CB 3.24Å; T51-E54 VanDerWaalsContact OG1-CD 3.24Å; T51-E54 WeakPolarHBondContact OG1-CG 3.25Å; T51-E54 PolarHBondContact OG1-N 3.04Å; T51-E54 PolarHBondContact OG1-OE2 3.19Å; T51-R55 WeakPolarHBondContact O-CG 3.43Å; T51-R55 PolarHBondContact O-N 2.97Å; T51-R55 VanDerWaalsContact O-N 3.17Å
52	P	92.7	Very high	91.9	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-54.4	-41.6	174.6	-25.1	35.5	0	0	0	112.7	V44 Q46 R55 V56 A81 N83	V44-P52 HydrophobicContact CB-CB 4.14Å; V44-P52 HydrophobicContact CG1-CB 4.39Å; Q46-P52 HydrophobicContact CG-CG 4.11Å; P52-R55 PolarHBondContact O-N 2.91Å; P52-V56 WeakPolarHBondContact O-CG2 3.46Å; P52-V56 PolarHBondContact O-N 2.71Å; P52-A81 HydrophobicContact CB-CB 4.11Å; P52-N83 HydrophobicContact CG-CB 3.72Å
53	Q	93.7	Very high	91.6	Very high	99 Å²	99	65 Å²	65	46%	0.463	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-49.7	179.5	-77	70.5	8.3	0	0	111.6	T51 R55 V56 E57 A81	T51-Q53 PolarHBondContact O-N 3.42Å; Q53-R55 VanDerWaalsContact C-N 3.27Å; Q53-R55 PolarHBondContact O-N 3.46Å; Q53-V56 PolarHBondContact O-N 2.69Å; Q53-V56 VanDerWaalsContact O-N 3.09Å; Q53-E57 PolarHBondContact O-N 3.27Å; Q53-A81 HydrophobicContact CG-CB 4.03Å; Q53-A81 PolarHBondContact NE2-O 2.92Å
54	E	93.9	Very high	91.6	Very high	100 Å²	100	64.6 Å²	64.6	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-40.4	177.4	-72.8	163.7	147	0	0	111.9	Q50 T51 V56 E57 E58	Q50-E54 WeakPolarHBondContact CA-OE2 3.31Å; Q50-E54 HydrophobicContact CB-CB 4.44Å; T51-E54 WeakPolarHBondContact CB-OE2 3.16Å; T51-E54 PolarHBondContact N-OE2 2.95Å; T51-E54 PolarHBondContact O-N 3.37Å; T51-E54 WeakPolarHBondContact OG1-CB 3.24Å; T51-E54 VanDerWaalsContact OG1-CD 3.24Å; T51-E54 WeakPolarHBondContact OG1-CG 3.25Å; T51-E54 PolarHBondContact OG1-N 3.04Å; T51-E54 PolarHBondContact OG1-OE2 3.19Å; E54-V56 VanDerWaalsContact C-N 3.32Å; E54-V56 PolarHBondContact O-N 3.43Å; E54-E57 PolarHBondContact O-N 3.3Å; E54-E58 PolarHBondContact O-N 3.15Å
55	R	93.6	Very high	91.7	Very high	33 Å²	33	64.5 Å²	64.5	13%	0.125	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-36.5	177	-67.9	-171.2	68	-137.4	-16.4	112.3	V44 R45 Q50 T51 P52 Q53 I59	V44-R55 HydrophobicContact CG1-CB 4.09Å; R45-R55 WeakPolarHBondContact O-CD 3.48Å; R45-R55 PolarHBondContact O-NH1 3.36Å; Q50-R55 HydrophobicContact CB-CG 3.68Å; T51-R55 WeakPolarHBondContact O-CG 3.43Å; T51-R55 PolarHBondContact O-N 2.97Å; T51-R55 VanDerWaalsContact O-N 3.17Å; P52-R55 PolarHBondContact O-N 2.91Å; Q53-R55 VanDerWaalsContact C-N 3.27Å; Q53-R55 PolarHBondContact O-N 3.46Å; R55-I59 WeakPolarHBondContact O-CD1 3.46Å; R55-I59 WeakPolarHBondContact O-CG1 3.45Å; R55-I59 PolarHBondContact O-N 3Å
56	V	95.1	Very high	91.9	Very high	8 Å²	8	61.8 Å²	61.8	5%	0.048	35%	0.346	C	S	.	.	H	α-helix	trans	-67.2	-49.2	174.4	169.6	0	0	0	0	109.8	V42 V44 P52 Q53 E54 E58 I59 L60 I79 A81	V42-V56 HydrophobicContact CG2-CG2 3.63Å; V44-V56 HydrophobicContact CG2-CG2 3.84Å; P52-V56 WeakPolarHBondContact O-CG2 3.46Å; P52-V56 PolarHBondContact O-N 2.71Å; Q53-V56 PolarHBondContact O-N 2.69Å; Q53-V56 VanDerWaalsContact O-N 3.09Å; E54-V56 VanDerWaalsContact C-N 3.32Å; E54-V56 PolarHBondContact O-N 3.43Å; V56-E58 VanDerWaalsContact C-N 3.31Å; V56-E58 PolarHBondContact O-N 2.96Å; V56-I59 WeakPolarHBondContact O-CA 3.2Å; V56-I59 WeakPolarHBondContact O-CB 3.11Å; V56-I59 PolarHBondContact O-N 3.06Å; V56-L60 HydrophobicContact CG1-CD1 3.81Å; V56-L60 HydrophobicContact CG1-CG 4.07Å; V56-L60 WeakPolarHBondContact O-CG 3.28Å; V56-L60 PolarHBondContact O-N 3.5Å; V56-I79 HydrophobicContact CG1-CG2 3.81Å; V56-A81 HydrophobicContact CB-CB 4.4Å; V56-A81 HydrophobicContact CG2-CB 3.79Å
57	E	94.6	Very high	92.2	Very high	91 Å²	91	59.9 Å²	59.9	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-58.4	-40.3	178.8	-73.6	-54.3	136.1	0	0	113	Q53 E54 I59 L60 S61 R76	Q53-E57 PolarHBondContact O-N 3.27Å; E54-E57 PolarHBondContact O-N 3.3Å; E57-I59 PolarHBondContact O-N 2.89Å; E57-L60 PolarHBondContact O-N 2.82Å; E57-S61 PolarHBondContact O-N 3.38Å; E57-R76 IonicContact OE2-NE 2.71Å
58	E	93.2	Very high	92.8	Very high	117 Å²	117	54.5 Å²	54.5	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-55.3	-42.8	174.1	-173.8	-175.8	157.1	0	0	111.3	Q50 E54 V56 S61	Q50-E58 PolarHBondContact NE2-OE2 2.83Å; Q50-E58 VanDerWaalsContact NE2-OE2 3.09Å; E54-E58 PolarHBondContact O-N 3.15Å; V56-E58 VanDerWaalsContact C-N 3.31Å; V56-E58 PolarHBondContact O-N 2.96Å; E58-S61 PolarHBondContact O-OG 2.81Å
59	I	94	Very high	93.6	Very high	26 Å²	26	53.1 Å²	53.1	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-69.4	-43.2	178.8	-71.3	161.5	0	0	0	111.5	T19 K24 R55 V56 E57 S61 G62 F65	T19-I59 VanDerWaalsContact CB-CD1 3.47Å; T19-I59 HydrophobicContact CG2-CD1 3.34Å; K24-I59 HydrophobicContact CD-CG2 3.82Å; K24-I59 HydrophobicContact CG-CG2 3.73Å; R55-I59 WeakPolarHBondContact O-CD1 3.46Å; R55-I59 WeakPolarHBondContact O-CG1 3.45Å; R55-I59 PolarHBondContact O-N 3Å; V56-I59 WeakPolarHBondContact O-CA 3.2Å; V56-I59 WeakPolarHBondContact O-CB 3.11Å; V56-I59 PolarHBondContact O-N 3.06Å; E57-I59 PolarHBondContact O-N 2.89Å; I59-S61 PolarHBondContact O-N 3.19Å; I59-G62 PolarHBondContact O-N 2.85Å; I59-F65 HydrophobicContact CG2-CE2 3.55Å; I59-F65 HydrophobicContact CG2-CZ 4Å; I59-F65 WeakPolarHBondContact O-CD2 3.3Å; I59-F65 VanDerWaalsContact O-CE2 3.29Å; I59-F65 WeakPolarHBondContact O-CE2 3.41Å
60	L	95.4	Very high	94.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-21	-179.3	-59.5	-175.8	0	0	0	113.1	L27 V56 E57 G62 F65 R69 F75 R76 I79	L27-L60 HydrophobicContact CD2-CD2 4.29Å; V56-L60 HydrophobicContact CG1-CD1 3.81Å; V56-L60 HydrophobicContact CG1-CG 4.07Å; V56-L60 WeakPolarHBondContact O-CG 3.28Å; V56-L60 PolarHBondContact O-N 3.5Å; E57-L60 PolarHBondContact O-N 2.82Å; L60-G62 VanDerWaalsContact C-N 3.26Å; L60-F65 HydrophobicContact CD2-CD1 3.9Å; L60-F65 HydrophobicContact CD2-CD2 4.29Å; L60-F65 HydrophobicContact CD2-CE1 3.59Å; L60-F65 HydrophobicContact CD2-CE2 4.03Å; L60-F65 HydrophobicContact CD2-CG 4.24Å; L60-F65 HydrophobicContact CD2-CZ 3.66Å; L60-R69 PolarHBondContact O-NH2 3.43Å; L60-F75 HydrophobicContact CD1-CE2 4.08Å; L60-F75 HydrophobicContact CD2-CE2 4Å; L60-F75 HydrophobicContact CG-CE2 4.4Å; L60-R76 HydrophobicContact CD1-CG 4.2Å; L60-I79 HydrophobicContact CD1-CD1 3.54Å; L60-I79 HydrophobicContact CD2-CD1 3.79Å; L60-I79 HydrophobicContact CG-CD1 4.29Å
61	S	93.6	Very high	94.5	Very high	81 Å²	81	56.6 Å²	56.6	57%	0.566	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.8	171.9	80.6	0	0	0	0	113.3	E57 E58 I59	E57-S61 PolarHBondContact O-N 3.38Å; E58-S61 PolarHBondContact O-OG 2.81Å; I59-S61 PolarHBondContact O-N 3.19Å
62	G	93.3	Very high	94.5	Very high	28 Å²	28	55.7 Å²	55.7	29%	0.289	28%	0.276	S	S	.	.	S	Bend	trans	-71.3	156.5	-176.3	0	0	0	0	0	113.9	I59 L60 L64 F65	I59-G62 PolarHBondContact O-N 2.85Å; L60-G62 VanDerWaalsContact C-N 3.26Å; G62-L64 PolarHBondContact O-N 2.96Å; G62-F65 PolarHBondContact O-N 2.87Å
63	K	92.6	Very high	94.6	Very high	114 Å²	114	59.5 Å²	59.5	50%	0.496	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-56.6	-22.8	-177.4	-66.8	-173.4	177.1	177.3	0	115.2	F65 D66 F240 Y444	K63-F65 PolarHBondContact O-N 2.71Å; K63-D66 WeakPolarHBondContact CA-OD2 3.49Å; K63-D66 PolarHBondContact O-N 3.35Å; K63-F240 HydrophobicContact CB-CZ 4.45Å; K63-F240 WeakPolarHBondContact O-CE1 3.37Å; K63-Y444 HydrophobicContact CD-CD1 4.43Å; K63-Y444 HydrophobicContact CD-CE1 4.28Å
64	L	95.5	Very high	94.6	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.016	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-55	-40	175.3	-178.3	73	0	0	0	111.3	K24 V25 E28 G62 P239 W243	K24-L64 HydrophobicContact CB-CD2 3.52Å; V25-L64 HydrophobicContact CG2-CD1 4.08Å; V25-L64 HydrophobicContact CG2-CD2 4.39Å; E28-L64 HydrophobicContact CB-CD2 4.31Å; E28-L64 HydrophobicContact CB-CG 4.28Å; E28-L64 HydrophobicContact CG-CG 4.28Å; G62-L64 PolarHBondContact O-N 2.96Å; L64-P239 HydrophobicContact CD1-CG 3.35Å; L64-P239 HydrophobicContact CG-CG 4.23Å; L64-W243 HydrophobicContact CB-CH2 4.41Å; L64-W243 HydrophobicContact CB-CZ2 3.64Å; L64-W243 HydrophobicContact CD1-CD2 3.46Å; L64-W243 VanDerWaalsContact CD1-CD2 3.46Å; L64-W243 VanDerWaalsContact CD1-CE2 3.45Å; L64-W243 HydrophobicContact CD1-CE3 3.59Å; L64-W243 HydrophobicContact CD1-CG 4.16Å; L64-W243 HydrophobicContact CD1-CH2 3.73Å; L64-W243 HydrophobicContact CD1-CZ2 3.6Å; L64-W243 HydrophobicContact CD1-CZ3 3.71Å; L64-W243 HydrophobicContact CD2-CH2 3.77Å; L64-W243 HydrophobicContact CD2-CZ2 3.83Å; L64-W243 HydrophobicContact CD2-CZ3 4.38Å; L64-W243 HydrophobicContact CG-CH2 4.19Å; L64-W243 HydrophobicContact CG-CZ2 3.89Å
65	F	96.9	Very high	94.7	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-92.7	3.1	-173.3	-64	-87.1	0	0	0	113.4	L27 E28 I59 L60 G62 K63 R67 L68 R69 F75	L27-F65 HydrophobicContact CD2-CE1 4.43Å; L27-F65 HydrophobicContact CD2-CZ 4.38Å; L27-F65 HydrophobicContact CG-CE1 4.38Å; E28-F65 HydrophobicContact CB-CD1 3.98Å; E28-F65 HydrophobicContact CB-CE1 3.74Å; E28-F65 HydrophobicContact CB-CZ 4.38Å; E28-F65 HydrophobicContact CG-CD1 4.02Å; E28-F65 HydrophobicContact CG-CE1 4.31Å; I59-F65 HydrophobicContact CG2-CE2 3.55Å; I59-F65 HydrophobicContact CG2-CZ 4Å; I59-F65 WeakPolarHBondContact O-CD2 3.3Å; I59-F65 VanDerWaalsContact O-CE2 3.29Å; I59-F65 WeakPolarHBondContact O-CE2 3.41Å; L60-F65 HydrophobicContact CD2-CD1 3.9Å; L60-F65 HydrophobicContact CD2-CD2 4.29Å; L60-F65 HydrophobicContact CD2-CE1 3.59Å; L60-F65 HydrophobicContact CD2-CE2 4.03Å; L60-F65 HydrophobicContact CD2-CG 4.24Å; L60-F65 HydrophobicContact CD2-CZ 3.66Å; G62-F65 PolarHBondContact O-N 2.87Å; K63-F65 PolarHBondContact O-N 2.71Å; F65-R67 PolarHBondContact O-N 2.94Å; F65-L68 HydrophobicContact CD1-CD2 3.89Å; F65-L68 PolarHBondContact O-N 3.43Å; F65-R69 WeakPolarHBondContact O-CB 3.48Å; F65-R69 PolarHBondContact O-N 3.04Å; F65-F75 HydrophobicContact CB-CZ 4.49Å; F65-F75 HydrophobicContact CD1-CE2 4.4Å
66	D	94.9	Very high	94.8	Very high	53 Å²	53	57.4 Å²	57.4	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-59.2	-48.6	-178.4	-70.8	-14.7	0	0	0	110.8	K63 L68 R69 D70	K63-D66 WeakPolarHBondContact CA-OD2 3.49Å; K63-D66 PolarHBondContact O-N 3.35Å; D66-L68 PolarHBondContact O-N 3.31Å; D66-R69 WeakPolarHBondContact O-CB 3.48Å; D66-R69 PolarHBondContact O-N 3.48Å; D66-R69 VanDerWaalsContact O-N 3.14Å; D66-R69 IonicContact OD1-CZ 3.97Å; D66-R69 IonicContact OD1-NH1 2.7Å; D66-R69 PolarHBondContact OD1-NH1 2.75Å; D66-R69 IonicContact OD1-NH2 3.79Å; D66-R69 PolarHBondContact OD1-NH2 3.07Å; D66-R69 VanDerWaalsContact OD1-NH2 3.11Å; D66-D70 PolarHBondContact O-N 3.06Å
67	R	95.3	Very high	94.9	Very high	84 Å²	84	64.4 Å²	64.4	32%	0.317	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.5	-174.9	178.5	175	-157.2	-12.3	112.6	F65 R69 D70 E71 E238	F65-R67 PolarHBondContact O-N 2.94Å; R67-R69 VanDerWaalsContact C-N 3.28Å; R67-R69 PolarHBondContact O-N 3.04Å; R67-D70 PolarHBondContact O-N 2.79Å; R67-E71 HydrophobicContact CG-CG 4.44Å; R67-E71 WeakPolarHBondContact CG-OE1 3.44Å; R67-E71 IonicContact CZ-OE1 2.69Å; R67-E71 VanDerWaalsContact CZ-OE1 3.31Å; R67-E71 IonicContact NE-OE1 3.22Å; R67-E71 PolarHBondContact NE-OE1 3.47Å; R67-E71 IonicContact NH2-OE1 3.31Å; R67-E71 PolarHBondContact NH2-OE1 2.97Å; R67-E71 IonicContact NH2-OE2 3.43Å; R67-E71 WeakPolarHBondContact O-CB 3.24Å; R67-E71 WeakPolarHBondContact O-CG 3.36Å; R67-E71 PolarHBondContact O-N 3.47Å; R67-E238 IonicContact NH1-OE1 3.75Å; R67-E238 PolarHBondContact NH1-OE1 2.78Å; R67-E238 VanDerWaalsContact NH1-OE1 3.15Å
68	L	96.7	Very high	95	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-40	175.3	172.5	63.3	0	0	0	111.5	E28 L31 R32 F65 D66 D70 E71 N72 F75	E28-L68 HydrophobicContact CG-CB 4.23Å; L31-L68 HydrophobicContact CB-CD1 3.95Å; L31-L68 HydrophobicContact CB-CD2 3.74Å; L31-L68 HydrophobicContact CD1-CD2 4.17Å; R32-L68 HydrophobicContact CB-CD1 3.72Å; R32-L68 HydrophobicContact CG-CD1 4.38Å; F65-L68 HydrophobicContact CD1-CD2 3.89Å; F65-L68 PolarHBondContact O-N 3.43Å; D66-L68 PolarHBondContact O-N 3.31Å; L68-D70 VanDerWaalsContact C-N 3.31Å; L68-D70 PolarHBondContact O-N 3.4Å; L68-E71 PolarHBondContact O-N 3.08Å; L68-N72 HydrophobicContact CD1-CB 3.92Å; L68-N72 CarbonylContact O-C 3.59Å; L68-N72 WeakPolarHBondContact O-CA 3.33Å; L68-N72 PolarHBondContact O-N 2.84Å; L68-F75 HydrophobicContact CD1-CB 4.08Å; L68-F75 HydrophobicContact CD1-CG 4.27Å; L68-F75 HydrophobicContact CD2-CB 4.05Å; L68-F75 HydrophobicContact CD2-CD1 3.96Å; L68-F75 HydrophobicContact CD2-CD2 3.44Å; L68-F75 VanDerWaalsContact CD2-CD2 3.44Å; L68-F75 HydrophobicContact CD2-CE1 4.25Å; L68-F75 HydrophobicContact CD2-CE2 3.78Å; L68-F75 HydrophobicContact CD2-CG 3.54Å; L68-F75 HydrophobicContact CD2-CZ 4.16Å; L68-F75 HydrophobicContact CG-CB 4.1Å; L68-F75 HydrophobicContact CG-CD1 3.73Å; L68-F75 HydrophobicContact CG-CD2 4.15Å; L68-F75 HydrophobicContact CG-CE1 4.15Å; L68-F75 HydrophobicContact CG-CG 3.72Å
69	R	96.1	Very high	95.2	Very high	68 Å²	68	58.4 Å²	58.4	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-37	179.5	-166.5	-175.3	-50.9	125.1	5.1	111.8	L60 F65 D66 R67 P73 F75	L60-R69 PolarHBondContact O-NH2 3.43Å; F65-R69 WeakPolarHBondContact O-CB 3.48Å; F65-R69 PolarHBondContact O-N 3.04Å; D66-R69 WeakPolarHBondContact O-CB 3.48Å; D66-R69 PolarHBondContact O-N 3.48Å; D66-R69 VanDerWaalsContact O-N 3.14Å; D66-R69 IonicContact OD1-CZ 3.97Å; D66-R69 IonicContact OD1-NH1 2.7Å; D66-R69 PolarHBondContact OD1-NH1 2.75Å; D66-R69 IonicContact OD1-NH2 3.79Å; D66-R69 PolarHBondContact OD1-NH2 3.07Å; D66-R69 VanDerWaalsContact OD1-NH2 3.11Å; R67-R69 VanDerWaalsContact C-N 3.28Å; R67-R69 PolarHBondContact O-N 3.04Å; R69-P73 WeakPolarHBondContact O-CA 3.49Å; R69-F75 HydrophobicContact CB-CE1 4.09Å; R69-F75 HydrophobicContact CG-CE1 4.32Å
70	D	95.2	Very high	95.4	Very high	130 Å²	130	60.2 Å²	60.2	70%	0.695	31%	0.305	S	S	*	.	H	α-helix	trans	-73.4	-41.9	177.1	-63.1	-19.8	0	0	0	111.7	D66 R67 L68	D66-D70 PolarHBondContact O-N 3.06Å; R67-D70 PolarHBondContact O-N 2.79Å; L68-D70 VanDerWaalsContact C-N 3.31Å; L68-D70 PolarHBondContact O-N 3.4Å
71	E	94.9	Very high	95.5	Very high	92 Å²	92	60.7 Å²	60.7	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-80.4	-34	-177.1	-69.1	-179.1	-167	0	0	113.4	R32 R67 L68	R32-E71 WeakPolarHBondContact CD-OE2 3.34Å; R32-E71 WeakPolarHBondContact CG-OE2 3.43Å; R67-E71 HydrophobicContact CG-CG 4.44Å; R67-E71 WeakPolarHBondContact CG-OE1 3.44Å; R67-E71 IonicContact CZ-OE1 2.69Å; R67-E71 VanDerWaalsContact CZ-OE1 3.31Å; R67-E71 IonicContact NE-OE1 3.22Å; R67-E71 PolarHBondContact NE-OE1 3.47Å; R67-E71 IonicContact NH2-OE1 3.31Å; R67-E71 PolarHBondContact NH2-OE1 2.97Å; R67-E71 IonicContact NH2-OE2 3.43Å; R67-E71 WeakPolarHBondContact O-CB 3.24Å; R67-E71 WeakPolarHBondContact O-CG 3.36Å; R67-E71 PolarHBondContact O-N 3.47Å; L68-E71 PolarHBondContact O-N 3.08Å
72	N	94.4	Very high	95.6	Very high	38 Å²	38	57 Å²	57	20%	0.203	28%	0.282	C	S	.	.			trans	-140.2	75.5	-176.4	-63.5	-77.8	0	0	0	111.6	P35 L68 D74 F75	P35-N72 WeakPolarHBondContact CB-OD1 3.47Å; L68-N72 HydrophobicContact CD1-CB 3.92Å; L68-N72 CarbonylContact O-C 3.59Å; L68-N72 WeakPolarHBondContact O-CA 3.33Å; L68-N72 PolarHBondContact O-N 2.84Å; N72-D74 VanDerWaalsContact C-N 3.25Å; N72-D74 PolarHBondContact O-N 3.23Å; N72-D74 VanDerWaalsContact O-N 3.07Å; N72-F75 HydrophobicContact CB-CB 4.45Å; N72-F75 WeakPolarHBondContact O-CB 3.39Å; N72-F75 VanDerWaalsContact O-CD1 3.24Å; N72-F75 WeakPolarHBondContact O-CD1 3.09Å; N72-F75 PolarHBondContact O-N 3.4Å
73	P	93.3	Very high	95.7	Very high	83 Å²	83	58.2 Å²	58.2	54%	0.539	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-55.1	-33.2	-171.1	-28.1	35.3	0	0	0	115.7	R69 F75	R69-P73 WeakPolarHBondContact O-CA 3.49Å; P73-F75 VanDerWaalsContact C-N 3.3Å; P73-F75 PolarHBondContact O-N 3.32Å
74	D	94.2	Very high	95.8	Very high	107 Å²	107	52.9 Å²	52.9	57%	0.572	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-84.8	5.2	-176.9	-61.7	-49.4	0	0	0	114.3	N72 R76 Q77	N72-D74 VanDerWaalsContact C-N 3.25Å; N72-D74 PolarHBondContact O-N 3.23Å; N72-D74 VanDerWaalsContact O-N 3.07Å; D74-R76 PolarHBondContact O-N 3.12Å; D74-Q77 PolarHBondContact O-N 3.16Å; D74-Q77 VanDerWaalsContact O-N 3.08Å; D74-Q77 PolarHBondContact OD1-NE2 2.67Å
75	F	96.1	Very high	95.6	Very high	3 Å²	3	55 Å²	55	1%	0.013	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-53.2	-29.8	-174.9	78.4	-92.5	0	0	0	113.8	L31 L60 F65 L68 R69 N72 P73 Q77 K78 I79	L31-F75 HydrophobicContact CD1-CD2 4.01Å; L60-F75 HydrophobicContact CD1-CE2 4.08Å; L60-F75 HydrophobicContact CD2-CE2 4Å; L60-F75 HydrophobicContact CG-CE2 4.4Å; F65-F75 HydrophobicContact CB-CZ 4.49Å; F65-F75 HydrophobicContact CD1-CE2 4.4Å; L68-F75 HydrophobicContact CD1-CB 4.08Å; L68-F75 HydrophobicContact CD1-CG 4.27Å; L68-F75 HydrophobicContact CD2-CB 4.05Å; L68-F75 HydrophobicContact CD2-CD1 3.96Å; L68-F75 HydrophobicContact CD2-CD2 3.44Å; L68-F75 VanDerWaalsContact CD2-CD2 3.44Å; L68-F75 HydrophobicContact CD2-CE1 4.25Å; L68-F75 HydrophobicContact CD2-CE2 3.78Å; L68-F75 HydrophobicContact CD2-CG 3.54Å; L68-F75 HydrophobicContact CD2-CZ 4.16Å; L68-F75 HydrophobicContact CG-CB 4.1Å; L68-F75 HydrophobicContact CG-CD1 3.73Å; L68-F75 HydrophobicContact CG-CD2 4.15Å; L68-F75 HydrophobicContact CG-CE1 4.15Å; L68-F75 HydrophobicContact CG-CG 3.72Å; R69-F75 HydrophobicContact CB-CE1 4.09Å; R69-F75 HydrophobicContact CG-CE1 4.32Å; N72-F75 HydrophobicContact CB-CB 4.45Å; N72-F75 WeakPolarHBondContact O-CB 3.39Å; N72-F75 VanDerWaalsContact O-CD1 3.24Å; N72-F75 WeakPolarHBondContact O-CD1 3.09Å; N72-F75 PolarHBondContact O-N 3.4Å; P73-F75 VanDerWaalsContact C-N 3.3Å; P73-F75 PolarHBondContact O-N 3.32Å; F75-Q77 VanDerWaalsContact C-N 3.26Å; F75-Q77 PolarHBondContact O-N 2.8Å; F75-K78 WeakPolarHBondContact O-CB 3.4Å; F75-K78 PolarHBondContact O-N 2.9Å; F75-I79 HydrophobicContact CD2-CD1 3.9Å; F75-I79 HydrophobicContact CE2-CD1 3.98Å
76	R	95.8	Very high	95.4	Very high	79 Å²	79	55.7 Å²	55.7	30%	0.298	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-60.7	-35	-178.2	-68	-172	176.8	79	-4.5	112.7	E57 L60 D74 K78 I79	E57-R76 IonicContact OE2-NE 2.71Å; L60-R76 HydrophobicContact CD1-CG 4.2Å; D74-R76 PolarHBondContact O-N 3.12Å; R76-K78 PolarHBondContact O-N 3.49Å; R76-K78 VanDerWaalsContact O-N 3.1Å; R76-I79 PolarHBondContact O-N 3.39Å
77	Q	96.3	Very high	95.2	Very high	154 Å²	154	55.2 Å²	55.2	72%	0.72	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-63.4	-20	-178.6	-59.3	177	17.6	0	0	112.4	D74 F75	D74-Q77 PolarHBondContact O-N 3.16Å; D74-Q77 VanDerWaalsContact O-N 3.08Å; D74-Q77 PolarHBondContact OD1-NE2 2.67Å; F75-Q77 VanDerWaalsContact C-N 3.26Å; F75-Q77 PolarHBondContact O-N 2.8Å
78	K	97.3	Very high	95.2	Very high	62 Å²	62	56 Å²	56	27%	0.27	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-86.5	-10.4	179.4	-61.3	176	172.8	154.5	0	112.9	L31 P35 V37 N38 S39 V40 F75 R76	L31-K78 HydrophobicContact CD2-CB 4.13Å; L31-K78 HydrophobicContact CD2-CD 4.31Å; P35-K78 PolarHBondContact O-NZ 2.85Å; V37-K78 HydrophobicContact CG1-CD 4.41Å; V37-K78 WeakPolarHBondContact O-CD 3.44Å; N38-K78 WeakPolarHBondContact O-CG 3.39Å; S39-K78 CarbonylContact C-O 3.57Å; S39-K78 WeakPolarHBondContact CA-O 3.45Å; V40-K78 PolarHBondContact N-O 3.15Å; F75-K78 WeakPolarHBondContact O-CB 3.4Å; F75-K78 PolarHBondContact O-N 2.9Å; R76-K78 PolarHBondContact O-N 3.49Å; R76-K78 VanDerWaalsContact O-N 3.1Å
79	I	98.1	Very high	95	Very high	21 Å²	21	60.5 Å²	60.5	11%	0.108	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.5	-174.9	-57	169.9	0	0	0	108.9	L27 L31 V42 V56 L60 F75 R76	L27-I79 HydrophobicContact CD1-CG1 4.45Å; L27-I79 HydrophobicContact CD2-CD1 4.24Å; L31-I79 HydrophobicContact CD1-CD1 3.63Å; L31-I79 HydrophobicContact CD1-CG1 3.8Å; V42-I79 HydrophobicContact CG1-CG2 4.2Å; V42-I79 HydrophobicContact CG2-CG2 3.87Å; V56-I79 HydrophobicContact CG1-CG2 3.81Å; L60-I79 HydrophobicContact CD1-CD1 3.54Å; L60-I79 HydrophobicContact CD2-CD1 3.79Å; L60-I79 HydrophobicContact CG-CD1 4.29Å; F75-I79 HydrophobicContact CD2-CD1 3.9Å; F75-I79 HydrophobicContact CE2-CD1 3.98Å; R76-I79 PolarHBondContact O-N 3.39Å
80	I	97.4	Very high	94.8	Very high	64 Å²	64	64 Å²	64	33%	0.328	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.9	-179.6	-58.1	170.1	0	0	0	107.8	V40 Y41 V42 I82	V40-I80 PolarHBondContact O-N 2.91Å; Y41-I80 CarbonylContact C-O 3.37Å; Y41-I80 WeakPolarHBondContact CA-O 3.48Å; Y41-I80 HydrophobicContact CD1-CB 3.74Å; Y41-I80 HydrophobicContact CD1-CD1 4.02Å; Y41-I80 HydrophobicContact CD1-CG1 4.45Å; Y41-I80 HydrophobicContact CD1-CG2 3.83Å; Y41-I80 HydrophobicContact CE1-CB 4.06Å; Y41-I80 HydrophobicContact CE1-CD1 3.46Å; Y41-I80 VanDerWaalsContact CE1-CD1 3.46Å; Y41-I80 HydrophobicContact CE1-CG1 4.35Å; Y41-I80 HydrophobicContact CE1-CG2 4.03Å; V42-I80 PolarHBondContact N-O 3.49Å; I80-I82 HydrophobicContact CG2-CG1 4.36Å
81	A	97.1	Very high	94.8	Very high	10 Å²	10	57.9 Å²	57.9	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.4	177.5	0	0	0	0	0	110.5	V42 P52 Q53 V56	V42-A81 HydrophobicContact CG2-CB 4.12Å; P52-A81 HydrophobicContact CB-CB 4.11Å; Q53-A81 HydrophobicContact CG-CB 4.03Å; Q53-A81 PolarHBondContact NE2-O 2.92Å; V56-A81 HydrophobicContact CB-CB 4.4Å; V56-A81 HydrophobicContact CG2-CB 3.79Å
82	I	96.4	Very high	94.7	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.9	178.4	-68.3	-178.4	0	0	0	108.6	Y41 V42 L43 V44 I80 S84 L93 D97 I101	Y41-I82 HydrophobicContact CD1-CD1 3.62Å; Y41-I82 HydrophobicContact CD1-CG1 4.43Å; Y41-I82 HydrophobicContact CE1-CD1 4.47Å; Y41-I82 HydrophobicContact CG-CD1 4.17Å; V42-I82 PolarHBondContact O-N 2.89Å; L43-I82 HydrophobicContact CD2-CB 3.83Å; L43-I82 HydrophobicContact CD2-CG2 3.7Å; V44-I82 PolarHBondContact N-O 2.88Å; I80-I82 HydrophobicContact CG2-CG1 4.36Å; I82-S84 PolarHBondContact O-N 3.22Å; I82-L93 HydrophobicContact CG2-CD2 3.5Å; I82-L93 VanDerWaalsContact CG2-CD2 3.5Å; I82-D97 HydrophobicContact CG2-CB 3.96Å; I82-I101 HydrophobicContact CD1-CD1 3.46Å; I82-I101 VanDerWaalsContact CD1-CD1 3.46Å; I82-I101 HydrophobicContact CD1-CG1 3.63Å; I82-I101 HydrophobicContact CG2-CD1 4.14Å
83	N	95.3	Very high	94.8	Very high	54 Å²	54	54.5 Å²	54.5	29%	0.289	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	123	175.3	-175.8	53.6	0	0	0	109.6	V44 Q46 P52	V44-N83 WeakPolarHBondContact O-CA 3.2Å; Q46-N83 WeakPolarHBondContact CG-OD1 3.27Å; Q46-N83 PolarHBondContact N-OD1 2.83Å; P52-N83 HydrophobicContact CG-CB 3.72Å
84	S	94.5	Very high	94.9	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	27%	0.273	C	S	.	.			trans	-155.3	134.1	175.5	175	0	0	0	0	110.8	V44 R45 I82 L91	V44-S84 CarbonylContact C-O 3.53Å; V44-S84 PolarHBondContact O-N 3.23Å; R45-S84 WeakPolarHBondContact CA-O 3.46Å; R45-S84 WeakPolarHBondContact CB-O 3.42Å; R45-S84 PolarHBondContact N-O 3.5Å; R45-S84 VanDerWaalsContact N-O 3.12Å; I82-S84 PolarHBondContact O-N 3.22Å; S84-L91 WeakPolarHBondContact CA-O 3.43Å; S84-L91 WeakPolarHBondContact CB-O 3.18Å; S84-L91 PolarHBondContact OG-O 3.47Å
85	E	92.4	Very high	95	Very high	46 Å²	46	51.7 Å²	51.7	22%	0.215	27%	0.265	C	S	.	.			trans	-113.6	107.9	167.2	-178.5	55.9	-87.9	0	0	108.5	R45 T87 Q88 L91 A92	R45-E85 WeakPolarHBondContact CD-OE2 3.47Å; R45-E85 IonicContact NH1-OE2 3.52Å; R45-E85 PolarHBondContact NH1-OE2 3.17Å; E85-T87 PolarHBondContact O-N 3.08Å; E85-Q88 HydrophobicContact CB-CB 4.34Å; E85-Q88 HydrophobicContact CB-CG 3.86Å; E85-Q88 HydrophobicContact CG-CB 4.42Å; E85-Q88 HydrophobicContact CG-CG 3.64Å; E85-Q88 WeakPolarHBondContact O-CB 3.25Å; E85-Q88 PolarHBondContact O-N 2.9Å; E85-L91 PolarHBondContact N-O 3.18Å; E85-L91 VanDerWaalsContact N-O 3.1Å; E85-L91 CarbonylContact O-C 3.27Å; E85-L91 VanDerWaalsContact O-C 3.27Å; E85-A92 HydrophobicContact CB-CB 4.19Å
86	L	92.2	Very high	94.9	Very high	17 Å²	17	57.5 Å²	57.5	9%	0.089	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26	-171.2	-65.5	-177.3	0	0	0	112.6	L43 Q88 L91 A112 L127 A131	L43-L86 HydrophobicContact CD1-CD2 4.17Å; L86-Q88 VanDerWaalsContact C-N 3.29Å; L86-L91 HydrophobicContact CD2-CD2 4Å; L86-A112 HydrophobicContact CD1-CB 3.28Å; L86-L127 HydrophobicContact CB-CD1 4.21Å; L86-A131 HydrophobicContact CB-CB 3.94Å; L86-A131 WeakPolarHBondContact O-CB 3.17Å
87	T	91.4	Very high	94.9	Very high	43 Å²	43	55.9 Å²	55.9	26%	0.264	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8	177.9	64.6	0	0	0	0	113.2	E85 Q126 L127	E85-T87 PolarHBondContact O-N 3.08Å; T87-Q126 HydrophobicContact CG2-CG 4.11Å; T87-Q126 PolarHBondContact O-NE2 3.04Å; T87-L127 HydrophobicContact CG2-CB 4.16Å; T87-L127 HydrophobicContact CG2-CD1 3.94Å
88	Q	93.9	Very high	94.9	Very high	99 Å²	99	50.6 Å²	50.6	46%	0.463	26%	0.264	S	S	.	.	S	Bend	trans	-91.6	157.2	178.7	-66.4	-61	-27.1	0	0	111.5	E85 L86 L91 A92 Q134	E85-Q88 HydrophobicContact CB-CB 4.34Å; E85-Q88 HydrophobicContact CB-CG 3.86Å; E85-Q88 HydrophobicContact CG-CB 4.42Å; E85-Q88 HydrophobicContact CG-CG 3.64Å; E85-Q88 WeakPolarHBondContact O-CB 3.25Å; E85-Q88 PolarHBondContact O-N 2.9Å; L86-Q88 VanDerWaalsContact C-N 3.29Å; Q88-L91 PolarHBondContact O-N 3.38Å; Q88-A92 HydrophobicContact CB-CB 3.82Å; Q88-A92 HydrophobicContact CG-CB 4.35Å; Q88-Q134 PolarHBondContact O-NE2 3.06Å; Q88-Q134 PolarHBondContact O-OE1 2.92Å
89	P	92.5	Very high	94.9	Very high	96 Å²	96	53.6 Å²	53.6	62%	0.623	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-55.3	141.8	172.4	-24.6	34.6	0	0	0	111.9	L91 A92	P89-L91 PolarHBondContact O-N 2.84Å; P89-L91 VanDerWaalsContact O-N 3.1Å; P89-A92 PolarHBondContact O-N 2.74Å; P89-A92 VanDerWaalsContact O-N 3.14Å
90	K	92.1	Very high	94.8	Very high	140 Å²	140	56.4 Å²	56.4	61%	0.609	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	52.9	28	-176.8	-56.1	178.3	176.9	-179.3	0	113.1	A92 L93 E95	K90-A92 PolarHBondContact O-N 3.21Å; K90-L93 PolarHBondContact O-N 3.27Å; K90-E95 IonicContact NZ-OE1 2.73Å
91	L	94.5	Very high	94.7	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	58.3	15.6	-178.1	-49.2	175.3	0	0	0	114.5	S84 E85 L86 Q88 P89 L93 Q134 L135 L138	S84-L91 WeakPolarHBondContact CA-O 3.43Å; S84-L91 WeakPolarHBondContact CB-O 3.18Å; S84-L91 PolarHBondContact OG-O 3.47Å; E85-L91 PolarHBondContact N-O 3.18Å; E85-L91 VanDerWaalsContact N-O 3.1Å; E85-L91 CarbonylContact O-C 3.27Å; E85-L91 VanDerWaalsContact O-C 3.27Å; L86-L91 HydrophobicContact CD2-CD2 4Å; Q88-L91 PolarHBondContact O-N 3.38Å; P89-L91 PolarHBondContact O-N 2.84Å; P89-L91 VanDerWaalsContact O-N 3.1Å; L91-L93 HydrophobicContact CB-CD1 4.19Å; L91-L93 HydrophobicContact CB-CG 4.12Å; L91-L93 HydrophobicContact CD1-CD1 4.29Å; L91-L93 PolarHBondContact O-N 3.46Å; L91-Q134 HydrophobicContact CD2-CB 3.66Å; L91-Q134 HydrophobicContact CG-CB 4.2Å; L91-L135 HydrophobicContact CD1-CB 4.4Å; L91-L135 HydrophobicContact CD1-CD1 3.8Å; L91-L138 HydrophobicContact CD1-CD2 3.99Å
92	A	94.7	Very high	94.7	Very high	39 Å²	39	53.8 Å²	53.8	32%	0.322	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	49.2	35.1	-171.5	0	0	0	0	0	114.6	E85 Q88 P89 K90	E85-A92 HydrophobicContact CB-CB 4.19Å; Q88-A92 HydrophobicContact CB-CB 3.82Å; Q88-A92 HydrophobicContact CG-CB 4.35Å; P89-A92 PolarHBondContact O-N 2.74Å; P89-A92 VanDerWaalsContact O-N 3.14Å; K90-A92 PolarHBondContact O-N 3.21Å
93	L	95.5	Very high	94.8	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.099	30%	0.296	C	S	.	.			trans	-77.3	145.6	171.8	-65.8	168.8	0	0	0	110.2	L43 I82 K90 L91 K98 I101 L138	L43-L93 HydrophobicContact CD2-CD2 4.11Å; I82-L93 HydrophobicContact CG2-CD2 3.5Å; I82-L93 VanDerWaalsContact CG2-CD2 3.5Å; K90-L93 PolarHBondContact O-N 3.27Å; L91-L93 HydrophobicContact CB-CD1 4.19Å; L91-L93 HydrophobicContact CB-CG 4.12Å; L91-L93 HydrophobicContact CD1-CD1 4.29Å; L91-L93 PolarHBondContact O-N 3.46Å; L93-K98 HydrophobicContact CB-CB 4.23Å; L93-K98 HydrophobicContact CD1-CB 4.49Å; L93-I101 HydrophobicContact CD1-CD1 4.3Å; L93-I101 HydrophobicContact CD2-CD1 4.04Å; L93-L138 HydrophobicContact CD1-CD2 3.78Å
94	S	95.4	Very high	94.8	Very high	46 Å²	46	55.6 Å²	55.6	32%	0.322	29%	0.29	S	S	.	.			trans	-69.6	159.3	162.6	86.4	0	0	0	0	109.7	E96 D97 K98	S94-E96 VanDerWaalsContact C-N 3.26Å; S94-E96 WeakPolarHBondContact CB-OE2 3.29Å; S94-E96 PolarHBondContact O-N 3.42Å; S94-E96 PolarHBondContact OG-N 3.25Å; S94-E96 PolarHBondContact OG-OE2 2.96Å; S94-D97 PolarHBondContact OG-N 2.92Å; S94-D97 VanDerWaalsContact OG-N 3.13Å; S94-K98 WeakPolarHBondContact O-CB 3.08Å; S94-K98 PolarHBondContact O-N 3.37Å
95	E	95.4	Very high	95	Very high	85 Å²	85	55.5 Å²	55.5	40%	0.397	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-32.8	178.2	-66.3	-63.2	152.5	0	0	110.8	K90 K98 E99	K90-E95 IonicContact NZ-OE1 2.73Å; E95-K98 PolarHBondContact O-N 3.47Å; E95-K98 IonicContact OE1-NZ 3.11Å; E95-K98 IonicContact OE2-NZ 3.33Å; E95-K98 PolarHBondContact OE2-NZ 2.8Å; E95-E99 WeakPolarHBondContact O-CG 3.39Å; E95-E99 PolarHBondContact O-N 2.95Å
96	E	95.8	Very high	95.3	Very high	126 Å²	126	54.4 Å²	54.4	59%	0.589	28%	0.284	S	S	*	.	H	α-helix	trans	-64.1	-50.9	175.3	-53.8	79.7	-171.8	0	0	112	S94 K98 E99 I100	S94-E96 VanDerWaalsContact C-N 3.26Å; S94-E96 WeakPolarHBondContact CB-OE2 3.29Å; S94-E96 PolarHBondContact O-N 3.42Å; S94-E96 PolarHBondContact OG-N 3.25Å; S94-E96 PolarHBondContact OG-OE2 2.96Å; E96-K98 VanDerWaalsContact C-N 3.26Å; E96-K98 PolarHBondContact O-N 3.46Å; E96-E99 PolarHBondContact O-N 3.01Å; E96-I100 WeakPolarHBondContact O-CG1 3.42Å; E96-I100 PolarHBondContact O-N 2.89Å
97	D	95.6	Very high	95.6	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-38.9	178.6	-79.6	-24.7	0	0	0	111	I82 S94 I100 I101	I82-D97 HydrophobicContact CG2-CB 3.96Å; S94-D97 PolarHBondContact OG-N 2.92Å; S94-D97 VanDerWaalsContact OG-N 3.13Å; D97-I100 PolarHBondContact O-N 3.24Å; D97-I101 WeakPolarHBondContact O-CB 3.25Å; D97-I101 WeakPolarHBondContact O-CD1 3.35Å; D97-I101 VanDerWaalsContact O-CG1 3.26Å; D97-I101 WeakPolarHBondContact O-CG1 3.44Å; D97-I101 PolarHBondContact O-N 3.16Å
98	K	96.2	Very high	96	Very high	42 Å²	42	51.5 Å²	51.5	18%	0.183	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-44.9	177.9	177.3	-179.6	153.4	-142.6	0	111.7	L93 S94 E95 E96 I101 I102 L138	L93-K98 HydrophobicContact CB-CB 4.23Å; L93-K98 HydrophobicContact CD1-CB 4.49Å; S94-K98 WeakPolarHBondContact O-CB 3.08Å; S94-K98 PolarHBondContact O-N 3.37Å; E95-K98 PolarHBondContact O-N 3.47Å; E95-K98 IonicContact OE1-NZ 3.11Å; E95-K98 IonicContact OE2-NZ 3.33Å; E95-K98 PolarHBondContact OE2-NZ 2.8Å; E96-K98 VanDerWaalsContact C-N 3.26Å; E96-K98 PolarHBondContact O-N 3.46Å; K98-I101 PolarHBondContact O-N 3.48Å; K98-I102 HydrophobicContact CG-CD1 3.83Å; K98-I102 WeakPolarHBondContact O-CB 3.47Å; K98-I102 VanDerWaalsContact O-CG1 3.23Å; K98-I102 WeakPolarHBondContact O-CG1 3.29Å; K98-I102 PolarHBondContact O-N 2.95Å; K98-L138 HydrophobicContact CG-CD1 3.96Å
99	E	96.3	Very high	96.2	Very high	126 Å²	126	46.8 Å²	46.8	59%	0.589	25%	0.246	S	C	*	.	H	α-helix	trans	-61.8	-46.2	175.8	-76.8	179	-178.8	0	0	111.5	E95 E96 I101 I102 D103	E95-E99 WeakPolarHBondContact O-CG 3.39Å; E95-E99 PolarHBondContact O-N 2.95Å; E96-E99 PolarHBondContact O-N 3.01Å; E99-I101 VanDerWaalsContact C-N 3.33Å; E99-I101 PolarHBondContact O-N 2.92Å; E99-I102 PolarHBondContact O-N 3.45Å; E99-D103 PolarHBondContact O-N 2.75Å
100	I	95.7	Very high	96.5	Very high	80 Å²	80	42.3 Å²	42.3	41%	0.41	22%	0.216	S	C	.	.	H	α-helix	trans	-56.7	-48.8	176.5	-68.7	166.2	0	0	0	110.6	Y41 E96 D97 I102 D103 S104	Y41-I100 HydrophobicContact CE1-CG2 3.88Å; E96-I100 WeakPolarHBondContact O-CG1 3.42Å; E96-I100 PolarHBondContact O-N 2.89Å; D97-I100 PolarHBondContact O-N 3.24Å; I100-I102 PolarHBondContact O-N 3Å; I100-D103 PolarHBondContact O-N 3.37Å; I100-S104 VanDerWaalsContact O-CB 3.3Å; I100-S104 WeakPolarHBondContact O-CB 3.39Å; I100-S104 PolarHBondContact O-N 2.89Å; I100-S104 PolarHBondContact O-OG 2.76Å
101	I	96.3	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-43.2	180	-74	162.8	0	0	0	111	L14 L43 I82 L93 D97 K98 E99 D103 T105 L138 M142	L14-I101 HydrophobicContact CD1-CD1 4.17Å; L14-I101 HydrophobicContact CD1-CG1 4.23Å; L14-I101 HydrophobicContact CD1-CG2 4.37Å; L14-I101 HydrophobicContact CD2-CG2 3.88Å; L43-I101 HydrophobicContact CD2-CD1 4.12Å; I82-I101 HydrophobicContact CD1-CD1 3.46Å; I82-I101 VanDerWaalsContact CD1-CD1 3.46Å; I82-I101 HydrophobicContact CD1-CG1 3.63Å; I82-I101 HydrophobicContact CG2-CD1 4.14Å; L93-I101 HydrophobicContact CD1-CD1 4.3Å; L93-I101 HydrophobicContact CD2-CD1 4.04Å; D97-I101 WeakPolarHBondContact O-CB 3.25Å; D97-I101 WeakPolarHBondContact O-CD1 3.35Å; D97-I101 VanDerWaalsContact O-CG1 3.26Å; D97-I101 WeakPolarHBondContact O-CG1 3.44Å; D97-I101 PolarHBondContact O-N 3.16Å; K98-I101 PolarHBondContact O-N 3.48Å; E99-I101 VanDerWaalsContact C-N 3.33Å; E99-I101 PolarHBondContact O-N 2.92Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-D103 PolarHBondContact O-N 3.34Å; I101-T105 VanDerWaalsContact O-CB 3.22Å; I101-T105 WeakPolarHBondContact O-CB 3.48Å; I101-T105 PolarHBondContact O-N 3.45Å; I101-T105 PolarHBondContact O-OG1 3.43Å; I101-L138 HydrophobicContact CG2-CD2 4.23Å; I101-M142 HydrophobicContact CG2-CE 3.4Å; I101-M142 VanDerWaalsContact CG2-CE 3.4Å
102	I	97.6	Very high	96.3	Very high	19 Å²	19	37 Å²	37	10%	0.097	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-43.2	179.7	-77.1	170.5	0	0	0	111.5	K98 E99 I100 L138 Q141 M142 K143	K98-I102 HydrophobicContact CG-CD1 3.83Å; K98-I102 WeakPolarHBondContact O-CB 3.47Å; K98-I102 VanDerWaalsContact O-CG1 3.23Å; K98-I102 WeakPolarHBondContact O-CG1 3.29Å; K98-I102 PolarHBondContact O-N 2.95Å; E99-I102 PolarHBondContact O-N 3.45Å; I100-I102 PolarHBondContact O-N 3Å; I102-L138 HydrophobicContact CD1-CD1 3.85Å; I102-L138 HydrophobicContact CG1-CD1 3.74Å; I102-Q141 HydrophobicContact CD1-CB 4.09Å; I102-Q141 HydrophobicContact CG1-CB 4.25Å; I102-Q141 HydrophobicContact CG2-CB 4.46Å; I102-Q141 WeakPolarHBondContact CG2-O 3.26Å; I102-M142 VanDerWaalsContact O-CA 3.31Å; I102-M142 WeakPolarHBondContact O-CA 3.47Å; I102-K143 PolarHBondContact O-N 3.27Å
103	D	97	Very high	95.6	Very high	72 Å²	72	36.5 Å²	36.5	39%	0.385	19%	0.193	S	C	.	.	H	α-helix	trans	-81.8	-32.9	-173.2	-79	-5	0	0	0	113.3	E99 I100 I101 K143 N144	E99-D103 PolarHBondContact O-N 2.75Å; I100-D103 PolarHBondContact O-N 3.37Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-D103 PolarHBondContact O-N 3.34Å; D103-K143 WeakPolarHBondContact OD1-CD 3.38Å; D103-K143 WeakPolarHBondContact OD1-CE 3.26Å; D103-K143 IonicContact OD1-NZ 2.99Å; D103-K143 PolarHBondContact OD1-NZ 3.48Å; D103-K143 IonicContact OD2-NZ 3Å; D103-N144 PolarHBondContact O-ND2 3.17Å
104	S	96.2	Very high	94.4	Very high	22 Å²	22	36 Å²	36	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-99.9	-28.9	-168.9	65.9	0	0	0	0	114.8	N12 Y41 I100 N106	N12-S104 VanDerWaalsContact CB-O 3.27Å; N12-S104 WeakPolarHBondContact CB-O 3.25Å; N12-S104 PolarHBondContact ND2-O 2.86Å; Y41-S104 VanDerWaalsContact CE2-OG 3.26Å; Y41-S104 WeakPolarHBondContact CE2-OG 3.15Å; Y41-S104 PolarHBondContact OH-OG 3.25Å; I100-S104 VanDerWaalsContact O-CB 3.3Å; I100-S104 WeakPolarHBondContact O-CB 3.39Å; I100-S104 PolarHBondContact O-N 2.89Å; I100-S104 PolarHBondContact O-OG 2.76Å; S104-N106 PolarHBondContact O-N 3.28Å; S104-N106 PolarHBondContact O-OD1 2.91Å
105	T	98.6	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.			trans	-70.3	130.3	-166.7	-59.4	0	0	0	0	113	L14 I101 I108 M142 N144 L145	L14-T105 HydrophobicContact CB-CG2 3.73Å; I101-T105 VanDerWaalsContact O-CB 3.22Å; I101-T105 WeakPolarHBondContact O-CB 3.48Å; I101-T105 PolarHBondContact O-N 3.45Å; I101-T105 PolarHBondContact O-OG1 3.43Å; T105-I108 HydrophobicContact CG2-CG1 3.95Å; T105-M142 HydrophobicContact CG2-CE 4.23Å; T105-M142 HydrophobicContact CG2-SD 3.72Å; T105-N144 CarbonylContact O-C 3.5Å; T105-L145 HydrophobicContact CG2-CD1 4.37Å; T105-L145 PolarHBondContact O-N 3.3Å
106	N	98.8	Very high	91.7	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.123	21%	0.209	C	C	.	.			trans	-105.4	-33.5	175.1	-55.6	104.8	0	0	0	113.1	K11 N12 S104 N144 E146 V147	K11-N106 WeakPolarHBondContact CA-OD1 3.43Å; K11-N106 HydrophobicContact CB-CB 4.08Å; K11-N106 HydrophobicContact CD-CB 4.09Å; K11-N106 HydrophobicContact CG-CB 4.15Å; N12-N106 PolarHBondContact N-OD1 3.44Å; N12-N106 PolarHBondContact O-N 2.9Å; S104-N106 PolarHBondContact O-N 3.28Å; S104-N106 PolarHBondContact O-OD1 2.91Å; N106-N144 WeakPolarHBondContact CA-O 3.44Å; N106-N144 PolarHBondContact ND2-O 3.01Å; N106-E146 WeakPolarHBondContact O-CB 3.31Å; N106-E146 PolarHBondContact O-N 3.44Å; N106-V147 PolarHBondContact O-N 2.84Å
107	V	98.8	Very high	90.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.6	-178.8	-177.8	0	0	0	0	110.1	Y7 Y8 K11 N12 I13 L14 F109 V147 A289	Y7-V107 HydrophobicContact CE1-CG2 4.36Å; Y8-V107 HydrophobicContact CE1-CG2 4.37Å; K11-V107 HydrophobicContact CD-CG2 4.36Å; N12-V107 PolarHBondContact O-N 2.88Å; I13-V107 CarbonylContact C-O 3.42Å; I13-V107 WeakPolarHBondContact CA-O 3.37Å; I13-V107 HydrophobicContact CD1-CB 3.69Å; I13-V107 HydrophobicContact CD1-CG2 4.03Å; L14-V107 PolarHBondContact N-O 3.39Å; V107-F109 HydrophobicContact CG1-CD2 4.11Å; V107-F109 HydrophobicContact CG1-CE2 3.65Å; V107-F109 HydrophobicContact CG1-CZ 4.04Å; V107-V147 WeakPolarHBondContact CA-O 3.19Å; V107-V147 HydrophobicContact CG1-CB 4.31Å; V107-A289 HydrophobicContact CG1-CB 4.31Å
108	I	98.8	Very high	89.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.7	172.4	-62.3	165	0	0	0	109.6	L14 T105 H110 L135 A139 M142 L145 V147 F148 M149	L14-I108 HydrophobicContact CB-CG1 4.09Å; L14-I108 HydrophobicContact CD2-CG1 4.15Å; L14-I108 CarbonylContact O-C 3.57Å; L14-I108 WeakPolarHBondContact O-CA 3.47Å; T105-I108 HydrophobicContact CG2-CG1 3.95Å; I108-H110 HydrophobicContact CG2-CB 4.49Å; I108-L135 HydrophobicContact CG2-CD2 4.13Å; I108-A139 HydrophobicContact CD1-CB 3.51Å; I108-M142 HydrophobicContact CD1-CE 3.76Å; I108-M142 HydrophobicContact CD1-SD 3.65Å; I108-M142 HydrophobicContact CG1-CE 4.32Å; I108-M142 HydrophobicContact CG1-SD 4.19Å; I108-L145 HydrophobicContact CD1-CD1 3.84Å; I108-L145 HydrophobicContact CD1-CD2 4.04Å; I108-L145 HydrophobicContact CG1-CD1 3.81Å; I108-V147 PolarHBondContact N-O 2.8Å; I108-F148 HydrophobicContact CB-CD2 4.09Å; I108-F148 HydrophobicContact CD1-CD2 3.66Å; I108-F148 HydrophobicContact CD1-CE2 4.09Å; I108-F148 HydrophobicContact CG1-CD2 4.49Å; I108-F148 HydrophobicContact CG2-CD2 4.11Å; I108-F148 HydrophobicContact CG2-CE2 4.06Å; I108-M149 WeakPolarHBondContact O-CA 3.35Å; I108-M149 WeakPolarHBondContact O-CB 3.41Å; I108-M149 PolarHBondContact O-N 3.33Å
109	F	98.8	Very high	88.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.5	163.6	-71.1	-81	0	0	0	109.8	Y8 I13 L14 L15 T16 L26 V107 C111 M149 L286 A289	Y8-F109 HydrophobicContact CE1-CE2 4.36Å; Y8-F109 HydrophobicContact CE1-CZ 4.44Å; Y8-F109 WeakPolarHBondContact OH-CZ 2.94Å; I13-F109 HydrophobicContact CG2-CD2 3.54Å; I13-F109 HydrophobicContact CG2-CE2 3.86Å; L14-F109 PolarHBondContact O-N 2.75Å; L15-F109 HydrophobicContact CD1-CB 3.68Å; T16-F109 PolarHBondContact N-O 2.87Å; L26-F109 HydrophobicContact CD1-CB 4.19Å; L26-F109 HydrophobicContact CD1-CD1 3.74Å; L26-F109 HydrophobicContact CD1-CE1 4.29Å; L26-F109 HydrophobicContact CD1-CG 3.97Å; L26-F109 HydrophobicContact CD2-CD2 4.22Å; L26-F109 HydrophobicContact CD2-CG 4.24Å; V107-F109 HydrophobicContact CG1-CD2 4.11Å; V107-F109 HydrophobicContact CG1-CE2 3.65Å; V107-F109 HydrophobicContact CG1-CZ 4.04Å; F109-C111 PolarHBondContact O-N 2.86Å; F109-M149 HydrophobicContact CD1-CB 3.74Å; F109-M149 HydrophobicContact CD1-CG 3.57Å; F109-M149 HydrophobicContact CE1-CB 3.97Å; F109-M149 HydrophobicContact CE1-CG 3.73Å; F109-M149 HydrophobicContact CG-CB 4.5Å; F109-L286 HydrophobicContact CE1-CD2 4.43Å; F109-L286 HydrophobicContact CE2-CD2 4.28Å; F109-L286 HydrophobicContact CZ-CD2 3.78Å; F109-A289 HydrophobicContact CE1-CB 3.84Å; F109-A289 HydrophobicContact CZ-CB 3.67Å
110	H	98.3	Very high	88.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	89.2	176.8	-174.8	36	0	0	0	110.6	T16 I108 T132 L135 F148 M149 H150 V151	T16-H110 PolarHBondContact OG1-ND1 3.49Å; I108-H110 HydrophobicContact CG2-CB 4.49Å; H110-T132 PolarHBondContact NE2-OG1 3.14Å; H110-L135 HydrophobicContact CB-CD2 3.85Å; H110-F148 HydrophobicContact CB-CE1 4.37Å; H110-F148 HydrophobicContact CB-CZ 4.17Å; H110-M149 PolarHBondContact N-O 2.91Å; H110-H150 AromaticContact CD2-CE1 3.79Å; H110-H150 AromaticContact CD2-ND1 3.35Å; H110-H150 PolarHBondContact CD2-ND1 2.81Å; H110-H150 VanDerWaalsContact CD2-ND1 3.35Å; H110-V151 PolarHBondContact O-N 2.88Å
111	C	95.1	Very high	88.1	Confident	20 Å²	20	33.3 Å²	33.3	14%	0.135	17%	0.174	C	C	.	.			trans	-101.3	-9.7	178.8	-57.5	0	0	0	0	113.7	T16 F109 A113 V151	T16-C111 WeakPolarHBondContact O-CB 3.5Å; T16-C111 PolarHBondContact O-N 2.74Å; T16-C111 PolarHBondContact OG1-N 3.22Å; F109-C111 PolarHBondContact O-N 2.86Å; C111-A113 PolarHBondContact O-N 2.91Å; C111-V151 HydrophobicContact CB-CG2 4.43Å
112	A	88.2	Confident	87.9	Confident	11 Å²	11	36.2 Å²	36.2	9%	0.091	19%	0.185	C	C	.	.			trans	-67.9	129.8	-179.5	0	0	0	0	0	111.6	T16 L86	T16-A112 WeakPolarHBondContact OG1-CB 3.37Å; T16-A112 PolarHBondContact OG1-N 3.04Å; T16-A112 VanDerWaalsContact OG1-N 3.11Å; L86-A112 HydrophobicContact CD1-CB 3.28Å
113	A	79.5	Confident	87.6	Confident	29 Å²	29	39.4 Å²	39.4	24%	0.24	20%	0.202	C	C	.	.			trans	-160.4	158.4	172.6	0	0	0	0	0	109.5	C111 N128	C111-A113 PolarHBondContact O-N 2.91Å; A113-N128 WeakPolarHBondContact CA-OD1 3.2Å; A113-N128 WeakPolarHBondContact CB-OD1 3.42Å
114	T	71	Confident	87.4	Confident	8 Å²	8	36 Å²	36	5%	0.049	18%	0.183	C	C	.	.			trans	-75.3	133.6	158	176.6	0	0	0	0	108.7	R116 E119 L127 N128 Y204	T114-R116 WeakPolarHBondContact OG1-CB 3.36Å; T114-R116 PolarHBondContact OG1-N 2.98Å; T114-E119 WeakPolarHBondContact CB-OE2 3.47Å; T114-E119 PolarHBondContact OG1-OE2 2.67Å; T114-L127 HydrophobicContact CG2-CD2 4.29Å; T114-L127 VanDerWaalsContact N-CD2 3.27Å; T114-N128 PolarHBondContact N-OD1 3.2Å; T114-N128 VanDerWaalsContact N-OD1 3.14Å; T114-Y204 WeakPolarHBondContact O-CD2 3.43Å; T114-Y204 WeakPolarHBondContact O-CE2 3.38Å
115	V	64.8	Low	87.3	Confident	81 Å²	81	35 Å²	35	49%	0.491	18%	0.177	S	C	.	.			trans	-108.3	16.4	170.4	-64.3	0	0	0	0	111.3	Y204	V115-Y204 HydrophobicContact CG1-CE2 4.44Å
116	R	68.9	Low	87.1	Confident	159 Å²	159	37.7 Å²	37.7	60%	0.6	19%	0.189	S	C	*	.			trans	-86.7	112.6	178.2	-64	179.6	174	-164.9	-2.3	108.9	T114 N118 E119	T114-R116 WeakPolarHBondContact OG1-CB 3.36Å; T114-R116 PolarHBondContact OG1-N 2.98Å; R116-N118 PolarHBondContact O-N 3.49Å; R116-N118 VanDerWaalsContact O-N 3.08Å; R116-E119 PolarHBondContact O-N 3.42Å
117	F	69.4	Low	86.8	Confident	57 Å²	57	38.4 Å²	38.4	25%	0.25	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-0.8	-179.5	-57.1	-48.4	0	0	0	114.7	N202 Y204 F390 L391	F117-N202 HydrophobicContact CB-CB 4.35Å; F117-Y204 AromaticContact CD1-CD1 3.9Å; F117-Y204 HydrophobicContact CD1-CD1 3.9Å; F117-Y204 HydrophobicContact CD1-CG 4.16Å; F117-Y204 AromaticContact CE1-CD1 3.55Å; F117-Y204 HydrophobicContact CE1-CD1 3.55Å; F117-Y204 HydrophobicContact CE1-CE1 4.01Å; F117-Y204 HydrophobicContact CE1-CG 4.18Å; F117-F390 HydrophobicContact CB-CB 4.14Å; F117-F390 HydrophobicContact CB-CD1 3.84Å; F117-F390 HydrophobicContact CB-CE1 4.47Å; F117-F390 HydrophobicContact CB-CG 3.98Å; F117-F390 HydrophobicContact CD2-CB 4.03Å; F117-F390 HydrophobicContact CG-CB 4.49Å; F117-L391 HydrophobicContact CE2-CD2 4.3Å
118	N	69.9	Low	86.6	Confident	113 Å²	113	38.5 Å²	38.5	60%	0.604	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.7	16.2	-176.8	75.9	-53.8	0	0	0	113.4	R116 F390	R116-N118 PolarHBondContact O-N 3.49Å; R116-N118 VanDerWaalsContact O-N 3.08Å; N118-F390 HydrophobicContact CB-CE1 4Å; N118-F390 HydrophobicContact CB-CE2 4.08Å; N118-F390 HydrophobicContact CB-CZ 3.46Å; N118-F390 VanDerWaalsContact CB-CZ 3.46Å
119	E	81.8	Confident	86.4	Confident	45 Å²	45	38.5 Å²	38.5	21%	0.21	19%	0.193	C	C	.	.			trans	-69.9	143.6	176.4	-152.7	109.7	-116.7	0	0	110.2	T114 R116 D123 A124 T203	T114-E119 WeakPolarHBondContact CB-OE2 3.47Å; T114-E119 PolarHBondContact OG1-OE2 2.67Å; R116-E119 PolarHBondContact O-N 3.42Å; E119-D123 HydrophobicContact CG-CB 3.62Å; E119-A124 HydrophobicContact CB-CB 4.46Å; E119-T203 PolarHBondContact O-OG1 2.97Å
120	N	89.9	Confident	86.3	Confident	39 Å²	39	40 Å²	40	21%	0.209	20%	0.201	C	C	.	.			trans	-58.2	146	171.6	-177.1	-53.8	0	0	0	109.1	R122 D123 A124 N190	N120-R122 VanDerWaalsContact C-N 3.26Å; N120-R122 PolarHBondContact O-N 3.44Å; N120-R122 PolarHBondContact OD1-N 3.3Å; N120-D123 PolarHBondContact O-N 2.62Å; N120-A124 WeakPolarHBondContact O-CB 3.31Å; N120-A124 PolarHBondContact O-N 3.3Å; N120-N190 PolarHBondContact ND2-OD1 3.28Å; N120-N190 VanDerWaalsContact ND2-OD1 3.16Å
121	L	91.8	Very high	86.2	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-53.3	-41.7	178.2	-179.8	63.4	0	0	0	112.7	A124 V125 V189 T193 L196 T203 Y206 T207	L121-A124 PolarHBondContact O-N 3.14Å; L121-V125 HydrophobicContact CD1-CG2 3.93Å; L121-V125 HydrophobicContact CG-CG2 4.27Å; L121-V125 WeakPolarHBondContact O-CB 3.45Å; L121-V125 VanDerWaalsContact O-CG2 3.29Å; L121-V125 WeakPolarHBondContact O-CG2 3.22Å; L121-V125 PolarHBondContact O-N 3.36Å; L121-V189 HydrophobicContact CB-CG1 4Å; L121-V189 HydrophobicContact CD2-CG1 4.37Å; L121-T193 HydrophobicContact CB-CG2 4.16Å; L121-T193 WeakPolarHBondContact CB-OG1 3.47Å; L121-T193 HydrophobicContact CD2-CG2 4.46Å; L121-T193 WeakPolarHBondContact CD2-OG1 3.47Å; L121-L196 HydrophobicContact CD2-CD1 3.49Å; L121-L196 VanDerWaalsContact CD2-CD1 3.49Å; L121-T203 HydrophobicContact CB-CG2 4.23Å; L121-T203 HydrophobicContact CD1-CG2 4.32Å; L121-Y206 HydrophobicContact CD1-CD1 3.83Å; L121-Y206 HydrophobicContact CD1-CE1 3.96Å; L121-T207 HydrophobicContact CD1-CG2 4.28Å
122	R	92.8	Very high	86.3	Confident	61 Å²	61	39.1 Å²	39.1	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-53	178.5	-177.6	-172	-63.5	-77.6	-10.3	111.2	N120 A124 V125 Q126 L181 M184 D186	N120-R122 VanDerWaalsContact C-N 3.26Å; N120-R122 PolarHBondContact O-N 3.44Å; N120-R122 PolarHBondContact OD1-N 3.3Å; R122-A124 VanDerWaalsContact C-N 3.33Å; R122-A124 PolarHBondContact O-N 2.87Å; R122-V125 PolarHBondContact O-N 3.45Å; R122-Q126 WeakPolarHBondContact O-CB 3.33Å; R122-Q126 PolarHBondContact O-N 3.33Å; R122-L181 VanDerWaalsContact CZ-O 3.31Å; R122-L181 PolarHBondContact NH1-O 2.73Å; R122-L181 PolarHBondContact NH2-O 2.9Å; R122-M184 PolarHBondContact NH2-O 2.74Å; R122-D186 IonicContact CZ-OD1 3.06Å; R122-D186 IonicContact NE-OD1 3.78Å; R122-D186 PolarHBondContact NE-OD1 3.1Å; R122-D186 IonicContact NH2-OD1 2.86Å
123	D	91.6	Very high	86.6	Confident	85 Å²	85	42.5 Å²	42.5	46%	0.455	21%	0.205	S	C	.	.	H	α-helix	trans	-63.2	-40.9	179.9	-63.7	-33	0	0	0	111.6	E119 N120 Q126 L127	E119-D123 HydrophobicContact CG-CB 3.62Å; N120-D123 PolarHBondContact O-N 2.62Å; D123-Q126 PolarHBondContact O-N 3.17Å; D123-L127 PolarHBondContact O-N 3.1Å
124	A	92.5	Very high	87.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-41.9	177.5	0	0	0	0	0	111.8	E119 N120 L121 R122 N128 T207	E119-A124 HydrophobicContact CB-CB 4.46Å; N120-A124 WeakPolarHBondContact O-CB 3.31Å; N120-A124 PolarHBondContact O-N 3.3Å; L121-A124 PolarHBondContact O-N 3.14Å; R122-A124 VanDerWaalsContact C-N 3.33Å; R122-A124 PolarHBondContact O-N 2.87Å; A124-N128 VanDerWaalsContact O-CB 3.27Å; A124-N128 WeakPolarHBondContact O-CB 3.21Å; A124-N128 PolarHBondContact O-N 2.8Å; A124-T207 HydrophobicContact CB-CG2 3.76Å
125	V	94.4	Very high	88.7	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-42.9	175.2	169.2	0	0	0	0	110.6	L121 R122 L127 V129 I130 L177 I178 L181 T207	L121-V125 HydrophobicContact CD1-CG2 3.93Å; L121-V125 HydrophobicContact CG-CG2 4.27Å; L121-V125 WeakPolarHBondContact O-CB 3.45Å; L121-V125 VanDerWaalsContact O-CG2 3.29Å; L121-V125 WeakPolarHBondContact O-CG2 3.22Å; L121-V125 PolarHBondContact O-N 3.36Å; R122-V125 PolarHBondContact O-N 3.45Å; V125-L127 PolarHBondContact O-N 2.97Å; V125-V129 HydrophobicContact CG1-CB 4.18Å; V125-V129 HydrophobicContact CG1-CG2 4.44Å; V125-V129 WeakPolarHBondContact O-CA 3.34Å; V125-V129 VanDerWaalsContact O-CB 3.3Å; V125-V129 WeakPolarHBondContact O-CB 3.27Å; V125-V129 PolarHBondContact O-N 3.26Å; V125-I130 HydrophobicContact CG1-CD1 4.06Å; V125-I130 HydrophobicContact CG1-CG1 4.23Å; V125-I130 PolarHBondContact O-N 2.96Å; V125-L177 HydrophobicContact CG2-CD2 4.2Å; V125-I178 HydrophobicContact CG1-CG1 4.17Å; V125-L181 HydrophobicContact CB-CD1 3.89Å; V125-L181 HydrophobicContact CG1-CD1 3.84Å; V125-L181 HydrophobicContact CG2-CD1 3.81Å; V125-T207 HydrophobicContact CG2-CG2 3.73Å
126	Q	94.4	Very high	90.3	Very high	57 Å²	57	38.6 Å²	38.6	27%	0.266	18%	0.177	S	C	.	.	I	π-helix	trans	-56.3	-49.9	178.3	-171.7	63.2	21.7	0	0	111.4	T87 R122 D123 A131	T87-Q126 HydrophobicContact CG2-CG 4.11Å; T87-Q126 PolarHBondContact O-NE2 3.04Å; R122-Q126 WeakPolarHBondContact O-CB 3.33Å; R122-Q126 PolarHBondContact O-N 3.33Å; D123-Q126 PolarHBondContact O-N 3.17Å; Q126-A131 PolarHBondContact O-N 2.96Å
127	L	91.9	Very high	91.7	Very high	38 Å²	38	34 Å²	34	20%	0.199	16%	0.164	C	C	.	.	I	π-helix	trans	-81.3	-41	-175.4	-177.3	59.5	0	0	0	113.9	L86 T87 T114 D123 V125 A131	L86-L127 HydrophobicContact CB-CD1 4.21Å; T87-L127 HydrophobicContact CG2-CB 4.16Å; T87-L127 HydrophobicContact CG2-CD1 3.94Å; T114-L127 HydrophobicContact CG2-CD2 4.29Å; T114-L127 VanDerWaalsContact N-CD2 3.27Å; D123-L127 PolarHBondContact O-N 3.1Å; V125-L127 PolarHBondContact O-N 2.97Å; L127-A131 VanDerWaalsContact O-CB 3.31Å; L127-A131 WeakPolarHBondContact O-CB 3.41Å
128	N	94.5	Very high	93	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.155	C	C	.	.	I	π-helix	trans	-91.8	-23.1	-173.3	-66.4	-20.7	0	0	0	113.3	A113 T114 A124 T132 T207 A211	A113-N128 WeakPolarHBondContact CA-OD1 3.2Å; A113-N128 WeakPolarHBondContact CB-OD1 3.42Å; T114-N128 PolarHBondContact N-OD1 3.2Å; T114-N128 VanDerWaalsContact N-OD1 3.14Å; A124-N128 VanDerWaalsContact O-CB 3.27Å; A124-N128 WeakPolarHBondContact O-CB 3.21Å; A124-N128 PolarHBondContact O-N 2.8Å; N128-T132 PolarHBondContact O-OG1 3.06Å; N128-T207 PolarHBondContact ND2-OG1 2.98Å; N128-A211 WeakPolarHBondContact O-CB 3.26Å
129	V	95.3	Very high	94.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	13%	0.126	C	C	.	.	I	π-helix	trans	-112.7	-58.3	-174.5	-172	0	0	0	0	110.5	V125 T132 R133 P174 I178 T207 L210 V214	V125-V129 HydrophobicContact CG1-CB 4.18Å; V125-V129 HydrophobicContact CG1-CG2 4.44Å; V125-V129 WeakPolarHBondContact O-CA 3.34Å; V125-V129 VanDerWaalsContact O-CB 3.3Å; V125-V129 WeakPolarHBondContact O-CB 3.27Å; V125-V129 PolarHBondContact O-N 3.26Å; V129-T132 PolarHBondContact O-N 3.05Å; V129-R133 WeakPolarHBondContact O-CB 3.33Å; V129-R133 PolarHBondContact O-N 2.82Å; V129-P174 HydrophobicContact CG1-CB 4.4Å; V129-I178 HydrophobicContact CG1-CD1 4.26Å; V129-T207 HydrophobicContact CG2-CG2 4.48Å; V129-L210 HydrophobicContact CG1-CB 4.48Å; V129-L210 HydrophobicContact CG2-CB 3.79Å; V129-L210 HydrophobicContact CG2-CD1 4.37Å; V129-V214 HydrophobicContact CG1-CG2 3.72Å
130	I	96	Very high	95.1	Very high	31 Å²	31	28.3 Å²	28.3	16%	0.159	14%	0.135	C	C	.	.	I	π-helix	trans	-67.4	-44.5	-175.9	-65.5	168.2	0	0	0	110.8	V125 T132 R133 Q134 I178	V125-I130 HydrophobicContact CG1-CD1 4.06Å; V125-I130 HydrophobicContact CG1-CG1 4.23Å; V125-I130 PolarHBondContact O-N 2.96Å; I130-T132 PolarHBondContact O-N 3.22Å; I130-R133 WeakPolarHBondContact O-CB 3.35Å; I130-R133 PolarHBondContact O-N 2.93Å; I130-Q134 WeakPolarHBondContact O-CG 3.22Å; I130-Q134 PolarHBondContact O-N 2.82Å; I130-I178 HydrophobicContact CD1-CG1 4.04Å; I130-I178 HydrophobicContact CD1-CG2 3.9Å; I130-I178 HydrophobicContact CG1-CD1 3.79Å; I130-I178 HydrophobicContact CG1-CG1 3.8Å; I130-I178 HydrophobicContact CG1-CG2 4.21Å
131	A	95.8	Very high	95.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-40.6	176.5	0	0	0	0	0	112.9	L86 Q126 L127 R133 Q134 L135	L86-A131 HydrophobicContact CB-CB 3.94Å; L86-A131 WeakPolarHBondContact O-CB 3.17Å; Q126-A131 PolarHBondContact O-N 2.96Å; L127-A131 VanDerWaalsContact O-CB 3.31Å; L127-A131 WeakPolarHBondContact O-CB 3.41Å; A131-R133 VanDerWaalsContact C-N 3.32Å; A131-R133 PolarHBondContact O-N 2.83Å; A131-Q134 PolarHBondContact O-N 3.3Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 PolarHBondContact O-N 3.06Å
132	T	96.9	Very high	95.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-43.6	174.7	-59.5	0	0	0	0	110.9	H110 N128 V129 I130 L135 I136 V215	H110-T132 PolarHBondContact NE2-OG1 3.14Å; N128-T132 PolarHBondContact O-OG1 3.06Å; V129-T132 PolarHBondContact O-N 3.05Å; I130-T132 PolarHBondContact O-N 3.22Å; T132-L135 PolarHBondContact O-N 2.77Å; T132-I136 HydrophobicContact CG2-CD1 4.06Å; T132-I136 WeakPolarHBondContact O-CG1 3.3Å; T132-I136 PolarHBondContact O-N 2.92Å; T132-V215 HydrophobicContact CG2-CG2 3.54Å
133	R	96.4	Very high	95.8	Very high	82 Å²	82	36.3 Å²	36.3	31%	0.309	17%	0.171	S	C	.	.	H	α-helix	trans	-57.6	-50.1	173.7	-168.3	-179.1	169.5	-124.1	-8.4	112.2	V129 I130 A131 L135 I136 L137 V214 E218	V129-R133 WeakPolarHBondContact O-CB 3.33Å; V129-R133 PolarHBondContact O-N 2.82Å; I130-R133 WeakPolarHBondContact O-CB 3.35Å; I130-R133 PolarHBondContact O-N 2.93Å; A131-R133 VanDerWaalsContact C-N 3.32Å; A131-R133 PolarHBondContact O-N 2.83Å; R133-L135 VanDerWaalsContact C-N 3.27Å; R133-L135 PolarHBondContact O-N 2.8Å; R133-I136 WeakPolarHBondContact O-CB 3.26Å; R133-I136 PolarHBondContact O-N 2.97Å; R133-I136 VanDerWaalsContact O-N 3.14Å; R133-L137 WeakPolarHBondContact O-CG 3.35Å; R133-L137 PolarHBondContact O-N 3.45Å; R133-V214 HydrophobicContact CB-CG1 3.82Å; R133-V214 HydrophobicContact CG-CG1 4.02Å; R133-E218 VanDerWaalsContact CD-OE1 3.26Å; R133-E218 WeakPolarHBondContact CD-OE1 3.44Å; R133-E218 WeakPolarHBondContact CG-OE2 3.06Å; R133-E218 IonicContact CZ-OE1 3.88Å; R133-E218 IonicContact CZ-OE2 2.77Å; R133-E218 VanDerWaalsContact NE-CD 3.29Å; R133-E218 IonicContact NE-OE1 3.95Å; R133-E218 PolarHBondContact NE-OE1 2.96Å; R133-E218 IonicContact NE-OE2 2.68Å; R133-E218 PolarHBondContact NE-OE2 3.01Å; R133-E218 IonicContact NH2-OE2 3.42Å
134	Q	96.9	Very high	96.1	Very high	36 Å²	36	36.4 Å²	36.4	17%	0.168	17%	0.172	C	C	.	.	H	α-helix	trans	-58.9	-39.7	177.8	-72.2	-172.7	82.6	0	0	112.1	Q88 L91 I130 A131 L137 L138	Q88-Q134 PolarHBondContact O-NE2 3.06Å; Q88-Q134 PolarHBondContact O-OE1 2.92Å; L91-Q134 HydrophobicContact CD2-CB 3.66Å; L91-Q134 HydrophobicContact CG-CB 4.2Å; I130-Q134 WeakPolarHBondContact O-CG 3.22Å; I130-Q134 PolarHBondContact O-N 2.82Å; A131-Q134 PolarHBondContact O-N 3.3Å; Q134-L137 PolarHBondContact O-N 3.05Å; Q134-L138 PolarHBondContact O-N 3.5Å
135	L	97.6	Very high	96.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-36.5	176.5	-169.6	66.4	0	0	0	112.5	L14 T16 L91 I108 H110 A131 T132 R133 L138 A139 F148	L14-L135 HydrophobicContact CD2-CD1 4.18Å; T16-L135 HydrophobicContact CG2-CD1 4.46Å; T16-L135 HydrophobicContact CG2-CD2 3.72Å; L91-L135 HydrophobicContact CD1-CB 4.4Å; L91-L135 HydrophobicContact CD1-CD1 3.8Å; I108-L135 HydrophobicContact CG2-CD2 4.13Å; H110-L135 HydrophobicContact CB-CD2 3.85Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 PolarHBondContact O-N 3.06Å; T132-L135 PolarHBondContact O-N 2.77Å; R133-L135 VanDerWaalsContact C-N 3.27Å; R133-L135 PolarHBondContact O-N 2.8Å; L135-L138 HydrophobicContact CD1-CD2 4.4Å; L135-L138 PolarHBondContact O-N 2.79Å; L135-A139 VanDerWaalsContact O-CB 3.26Å; L135-A139 WeakPolarHBondContact O-CB 3.32Å; L135-A139 PolarHBondContact O-N 3.43Å; L135-F148 HydrophobicContact CD2-CE2 4.06Å; L135-F148 HydrophobicContact CD2-CZ 4.08Å; L135-F148 HydrophobicContact CG-CE2 3.97Å; L135-F148 HydrophobicContact CG-CZ 4.34Å
136	I	97.9	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-44	172.9	-69.9	160.4	0	0	0	110.7	T132 R133 L138 A139 Q140 F148 V214 V215 E218 L222	T132-I136 HydrophobicContact CG2-CD1 4.06Å; T132-I136 WeakPolarHBondContact O-CG1 3.3Å; T132-I136 PolarHBondContact O-N 2.92Å; R133-I136 WeakPolarHBondContact O-CB 3.26Å; R133-I136 PolarHBondContact O-N 2.97Å; R133-I136 VanDerWaalsContact O-N 3.14Å; I136-L138 VanDerWaalsContact C-N 3.29Å; I136-L138 PolarHBondContact O-N 3.07Å; I136-A139 WeakPolarHBondContact O-CB 3.37Å; I136-A139 PolarHBondContact O-N 2.83Å; I136-A139 VanDerWaalsContact O-N 3.13Å; I136-Q140 WeakPolarHBondContact O-CG 3.45Å; I136-Q140 PolarHBondContact O-N 3.24Å; I136-F148 HydrophobicContact CG1-CE1 4.26Å; I136-F148 HydrophobicContact CG1-CE2 4.07Å; I136-F148 HydrophobicContact CG1-CZ 3.8Å; I136-V214 HydrophobicContact CD1-CG1 4.18Å; I136-V215 HydrophobicContact CD1-CB 4.31Å; I136-V215 HydrophobicContact CD1-CG2 3.88Å; I136-E218 HydrophobicContact CG2-CB 4.06Å; I136-E218 WeakPolarHBondContact CG2-O 3.19Å; I136-L222 HydrophobicContact CG2-CD1 4.17Å
137	L	96.9	Very high	96.8	Very high	63 Å²	63	37 Å²	37	33%	0.33	18%	0.175	S	C	.	.	H	α-helix	trans	-64.3	-34.4	177.8	-65.6	173.5	0	0	0	112.2	R133 Q134 Q141	R133-L137 WeakPolarHBondContact O-CG 3.35Å; R133-L137 PolarHBondContact O-N 3.45Å; Q134-L137 PolarHBondContact O-N 3.05Å; L137-Q141 PolarHBondContact O-NE2 2.97Å
138	L	97.4	Very high	97.1	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-45.4	170.1	-179	65.1	0	0	0	111.1	L91 L93 K98 I101 I102 Q134 L135 I136 Q140 Q141 M142	L91-L138 HydrophobicContact CD1-CD2 3.99Å; L93-L138 HydrophobicContact CD1-CD2 3.78Å; K98-L138 HydrophobicContact CG-CD1 3.96Å; I101-L138 HydrophobicContact CG2-CD2 4.23Å; I102-L138 HydrophobicContact CD1-CD1 3.85Å; I102-L138 HydrophobicContact CG1-CD1 3.74Å; Q134-L138 PolarHBondContact O-N 3.5Å; L135-L138 HydrophobicContact CD1-CD2 4.4Å; L135-L138 PolarHBondContact O-N 2.79Å; I136-L138 VanDerWaalsContact C-N 3.29Å; I136-L138 PolarHBondContact O-N 3.07Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 3.07Å; L138-Q141 WeakPolarHBondContact O-CB 3.45Å; L138-Q141 PolarHBondContact O-N 2.89Å; L138-M142 HydrophobicContact CD2-CE 4.39Å; L138-M142 HydrophobicContact CG-CE 4.15Å
139	A	98.1	Very high	97.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-35.8	-180	0	0	0	0	0	112.9	I108 L135 I136 Q141 M142 L145 F148 L222	I108-A139 HydrophobicContact CD1-CB 3.51Å; L135-A139 VanDerWaalsContact O-CB 3.26Å; L135-A139 WeakPolarHBondContact O-CB 3.32Å; L135-A139 PolarHBondContact O-N 3.43Å; I136-A139 WeakPolarHBondContact O-CB 3.37Å; I136-A139 PolarHBondContact O-N 2.83Å; I136-A139 VanDerWaalsContact O-N 3.13Å; A139-Q141 PolarHBondContact O-N 3.36Å; A139-M142 WeakPolarHBondContact O-CB 3.29Å; A139-M142 PolarHBondContact O-N 3.14Å; A139-M142 VanDerWaalsContact O-N 3.07Å; A139-L145 HydrophobicContact CB-CD2 3.66Å; A139-L145 WeakPolarHBondContact O-CD2 3.3Å; A139-F148 HydrophobicContact CB-CD2 3.84Å; A139-F148 HydrophobicContact CB-CE2 4.17Å; A139-L222 HydrophobicContact CB-CD1 3.72Å
140	Q	97.6	Very high	97.4	Very high	82 Å²	82	35.2 Å²	35.2	38%	0.383	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.1	174.6	-73.7	175.4	-5.4	0	0	114.2	I136 L138 E218 L222	I136-Q140 WeakPolarHBondContact O-CG 3.45Å; I136-Q140 PolarHBondContact O-N 3.24Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 3.07Å; Q140-E218 PolarHBondContact NE2-O 3.38Å; Q140-L222 HydrophobicContact CG-CD1 4.25Å; Q140-L222 HydrophobicContact CG-CD2 4.17Å; Q140-L222 HydrophobicContact CG-CG 4.22Å
141	Q	97.4	Very high	97.5	Very high	106 Å²	106	34.1 Å²	34.1	50%	0.495	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.1	176.7	-65.5	166.2	68	0	0	112	I102 L137 L138 A139 K143	I102-Q141 HydrophobicContact CD1-CB 4.09Å; I102-Q141 HydrophobicContact CG1-CB 4.25Å; I102-Q141 HydrophobicContact CG2-CB 4.46Å; I102-Q141 WeakPolarHBondContact CG2-O 3.26Å; L137-Q141 PolarHBondContact O-NE2 2.97Å; L138-Q141 WeakPolarHBondContact O-CB 3.45Å; L138-Q141 PolarHBondContact O-N 2.89Å; A139-Q141 PolarHBondContact O-N 3.36Å; Q141-K143 PolarHBondContact O-N 3.25Å
142	M	98.1	Very high	97.6	Very high	15 Å²	15	34.2 Å²	34.2	7%	0.074	16%	0.161	C	C	.	.			trans	-71.6	125.5	-175.2	-64.8	-177.7	179.3	0	0	111.9	L14 I101 I102 T105 I108 L138 A139 L145	L14-M142 HydrophobicContact CD2-CE 3.98Å; I101-M142 HydrophobicContact CG2-CE 3.4Å; I101-M142 VanDerWaalsContact CG2-CE 3.4Å; I102-M142 VanDerWaalsContact O-CA 3.31Å; I102-M142 WeakPolarHBondContact O-CA 3.47Å; T105-M142 HydrophobicContact CG2-CE 4.23Å; T105-M142 HydrophobicContact CG2-SD 3.72Å; I108-M142 HydrophobicContact CD1-CE 3.76Å; I108-M142 HydrophobicContact CD1-SD 3.65Å; I108-M142 HydrophobicContact CG1-CE 4.32Å; I108-M142 HydrophobicContact CG1-SD 4.19Å; L138-M142 HydrophobicContact CD2-CE 4.39Å; L138-M142 HydrophobicContact CG-CE 4.15Å; A139-M142 WeakPolarHBondContact O-CB 3.29Å; A139-M142 PolarHBondContact O-N 3.14Å; A139-M142 VanDerWaalsContact O-N 3.07Å; M142-L145 HydrophobicContact CB-CB 3.64Å; M142-L145 HydrophobicContact CB-CD2 4.44Å; M142-L145 HydrophobicContact SD-CB 4.28Å; M142-L145 HydrophobicContact SD-CD1 3.99Å; M142-L145 HydrophobicContact SD-CD2 4.16Å; M142-L145 HydrophobicContact SD-CG 4.39Å
143	K	95	Very high	97.6	Very high	148 Å²	148	34.5 Å²	34.5	64%	0.643	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-33.9	-173.5	-63.4	171.3	-177.1	159.9	0	112.8	I102 D103 Q141	I102-K143 PolarHBondContact O-N 3.27Å; D103-K143 WeakPolarHBondContact OD1-CD 3.38Å; D103-K143 WeakPolarHBondContact OD1-CE 3.26Å; D103-K143 IonicContact OD1-NZ 2.99Å; D103-K143 PolarHBondContact OD1-NZ 3.48Å; D103-K143 IonicContact OD2-NZ 3Å; Q141-K143 PolarHBondContact O-N 3.25Å
144	N	97	Very high	97.6	Very high	86 Å²	86	30.6 Å²	30.6	46%	0.46	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	12.9	-169.5	-61.4	-53.1	0	0	0	113.3	D103 T105 N106 E146	D103-N144 PolarHBondContact O-ND2 3.17Å; T105-N144 CarbonylContact O-C 3.5Å; N106-N144 WeakPolarHBondContact CA-O 3.44Å; N106-N144 PolarHBondContact ND2-O 3.01Å; N144-E146 PolarHBondContact O-N 3.46Å
145	L	98.5	Very high	97.6	Very high	32 Å²	32	29.4 Å²	29.4	17%	0.168	14%	0.142	C	C	.	.			trans	-69.5	120.2	-176.3	-177.8	69.3	0	0	0	110.8	T105 I108 A139 M142 V147 L222	T105-L145 HydrophobicContact CG2-CD1 4.37Å; T105-L145 PolarHBondContact O-N 3.3Å; I108-L145 HydrophobicContact CD1-CD1 3.84Å; I108-L145 HydrophobicContact CD1-CD2 4.04Å; I108-L145 HydrophobicContact CG1-CD1 3.81Å; A139-L145 HydrophobicContact CB-CD2 3.66Å; A139-L145 WeakPolarHBondContact O-CD2 3.3Å; M142-L145 HydrophobicContact CB-CB 3.64Å; M142-L145 HydrophobicContact CB-CD2 4.44Å; M142-L145 HydrophobicContact SD-CB 4.28Å; M142-L145 HydrophobicContact SD-CD1 3.99Å; M142-L145 HydrophobicContact SD-CD2 4.16Å; M142-L145 HydrophobicContact SD-CG 4.39Å; L145-V147 WeakPolarHBondContact CD1-O 3.39Å; L145-L222 HydrophobicContact CD2-CD2 4.05Å
146	E	98.3	Very high	97.4	Very high	41 Å²	41	29.4 Å²	29.4	19%	0.192	14%	0.142	C	C	.	.			trans	-96.3	-35.8	177.7	-65.5	-178.6	-144.5	0	0	112.5	Y7 K11 N106 N144 N223	Y7-E146 WeakPolarHBondContact CE2-OE2 3.42Å; Y7-E146 PolarHBondContact OH-OE2 3.28Å; K11-E146 WeakPolarHBondContact CE-OE1 3.3Å; K11-E146 IonicContact NZ-OE1 2.63Å; K11-E146 PolarHBondContact NZ-OE1 3.49Å; K11-E146 IonicContact NZ-OE2 2.82Å; K11-E146 PolarHBondContact NZ-OE2 3.47Å; N106-E146 WeakPolarHBondContact O-CB 3.31Å; N106-E146 PolarHBondContact O-N 3.44Å; N144-E146 PolarHBondContact O-N 3.46Å; E146-N223 VanDerWaalsContact O-CB 3.25Å; E146-N223 WeakPolarHBondContact O-CB 3.47Å; E146-N223 PolarHBondContact O-ND2 2.84Å
147	V	98.4	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	133.7	-175.4	-178.9	0	0	0	0	112.3	N106 V107 I108 L145 N223 A289 G293	N106-V147 PolarHBondContact O-N 2.84Å; V107-V147 WeakPolarHBondContact CA-O 3.19Å; V107-V147 HydrophobicContact CG1-CB 4.31Å; I108-V147 PolarHBondContact N-O 2.8Å; L145-V147 WeakPolarHBondContact CD1-O 3.39Å; V147-N223 WeakPolarHBondContact CA-O 3.34Å; V147-A289 HydrophobicContact CG1-CB 4.22Å; V147-A289 WeakPolarHBondContact CG2-O 3.48Å; V147-G293 VanDerWaalsContact CG2-CA 3.44Å; V147-G293 VanDerWaalsContact CG2-N 3.32Å
148	F	98.6	Very high	97.1	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	109.3	162.8	-172.2	-79.8	0	0	0	109.6	I108 H110 L135 I136 A139 H150 L222 N223 V224 A225	I108-F148 HydrophobicContact CB-CD2 4.09Å; I108-F148 HydrophobicContact CD1-CD2 3.66Å; I108-F148 HydrophobicContact CD1-CE2 4.09Å; I108-F148 HydrophobicContact CG1-CD2 4.49Å; I108-F148 HydrophobicContact CG2-CD2 4.11Å; I108-F148 HydrophobicContact CG2-CE2 4.06Å; H110-F148 HydrophobicContact CB-CE1 4.37Å; H110-F148 HydrophobicContact CB-CZ 4.17Å; L135-F148 HydrophobicContact CD2-CE2 4.06Å; L135-F148 HydrophobicContact CD2-CZ 4.08Å; L135-F148 HydrophobicContact CG-CE2 3.97Å; L135-F148 HydrophobicContact CG-CZ 4.34Å; I136-F148 HydrophobicContact CG1-CE1 4.26Å; I136-F148 HydrophobicContact CG1-CE2 4.07Å; I136-F148 HydrophobicContact CG1-CZ 3.8Å; A139-F148 HydrophobicContact CB-CD2 3.84Å; A139-F148 HydrophobicContact CB-CE2 4.17Å; F148-H150 HydrophobicContact CD1-CB 4.48Å; F148-H150 HydrophobicContact CE1-CB 4.12Å; F148-L222 HydrophobicContact CB-CD1 4.49Å; F148-L222 HydrophobicContact CD2-CD1 4.47Å; F148-N223 PolarHBondContact N-O 3.34Å; F148-V224 HydrophobicContact CB-CG2 4.27Å; F148-V224 HydrophobicContact CD1-CG1 4.23Å; F148-V224 WeakPolarHBondContact O-CA 3.37Å; F148-A225 PolarHBondContact O-N 2.78Å; F148-A225 VanDerWaalsContact O-N 3.07Å
149	M	98.4	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.2	178.5	178.8	82.8	-76.4	0	0	110.5	I108 F109 H110 A225 I226 V227 A288	I108-M149 WeakPolarHBondContact O-CA 3.35Å; I108-M149 WeakPolarHBondContact O-CB 3.41Å; I108-M149 PolarHBondContact O-N 3.33Å; F109-M149 HydrophobicContact CD1-CB 3.74Å; F109-M149 HydrophobicContact CD1-CG 3.57Å; F109-M149 HydrophobicContact CE1-CB 3.97Å; F109-M149 HydrophobicContact CE1-CG 3.73Å; F109-M149 HydrophobicContact CG-CB 4.5Å; H110-M149 PolarHBondContact N-O 2.91Å; M149-A225 HydrophobicContact CE-CB 3.33Å; M149-A225 WeakPolarHBondContact CE-O 3.43Å; M149-A225 HydrophobicContact SD-CB 4.26Å; M149-I226 VanDerWaalsContact CE-N 3.33Å; M149-V227 HydrophobicContact CE-CG2 3.82Å; M149-V227 HydrophobicContact SD-CG2 3.76Å; M149-A288 HydrophobicContact SD-CB 3.95Å
150	H	98.6	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.8	175.9	-175.9	60.2	0	0	0	112	H110 F148 V215 A225 I226 V227	H110-H150 AromaticContact CD2-CE1 3.79Å; H110-H150 AromaticContact CD2-ND1 3.35Å; H110-H150 PolarHBondContact CD2-ND1 2.81Å; H110-H150 VanDerWaalsContact CD2-ND1 3.35Å; F148-H150 HydrophobicContact CD1-CB 4.48Å; F148-H150 HydrophobicContact CE1-CB 4.12Å; H150-V215 HydrophobicContact CB-CG1 4.41Å; H150-V215 HydrophobicContact CB-CG2 4.33Å; H150-A225 PolarHBondContact N-O 3.45Å; H150-I226 HydrophobicContact CB-CG1 4.29Å; H150-I226 CarbonylContact O-C 3.57Å; H150-I226 WeakPolarHBondContact O-CA 3.46Å; H150-V227 PolarHBondContact O-N 3.25Å
151	V	98.4	Very high	96.5	Very high	9 Å²	9	37 Å²	37	6%	0.055	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.6	169.9	-176.8	0	0	0	0	110.2	L22 H110 C111 K208 P229	L22-V151 HydrophobicContact CD2-CG1 3.74Å; L22-V151 HydrophobicContact CD2-CG2 4.23Å; H110-V151 PolarHBondContact O-N 2.88Å; C111-V151 HydrophobicContact CB-CG2 4.43Å; V151-K208 PolarHBondContact O-NZ 3.27Å; V151-P229 HydrophobicContact CG1-CG 4.11Å
152	S	97.8	Very high	96.5	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	17%	0.172	C	C	.	.			trans	-104.8	-139.7	174.3	-172.4	0	0	0	0	110.5	E212 V227 P229	S152-E212 WeakPolarHBondContact CB-OE1 3.46Å; S152-E212 WeakPolarHBondContact OG-CG 3.34Å; S152-E212 PolarHBondContact OG-OE1 3.33Å; S152-V227 PolarHBondContact N-O 2.98Å; S152-P229 WeakPolarHBondContact O-CD 3.26Å
153	T	96.8	Very high	96.5	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.043	17%	0.168	C	C	.	.			trans	-150.9	144.4	173.3	178.7	0	0	0	0	109.4	Y155 A156 Y204 K208 P229	T153-Y155 PolarHBondContact O-N 2.84Å; T153-Y155 VanDerWaalsContact O-N 3.14Å; T153-Y155 PolarHBondContact OG1-N 2.85Å; T153-A156 HydrophobicContact CG2-CB 4.28Å; T153-A156 WeakPolarHBondContact O-CB 3.37Å; T153-A156 PolarHBondContact O-N 3.48Å; T153-A156 VanDerWaalsContact O-N 3.12Å; T153-Y204 HydrophobicContact CG2-CE1 3.95Å; T153-K208 HydrophobicContact CG2-CB 3.99Å; T153-K208 HydrophobicContact CG2-CG 4.04Å; T153-P229 CarbonylContact C-O 3.59Å; T153-P229 WeakPolarHBondContact CA-O 3.35Å; T153-P229 PolarHBondContact OG1-O 3.2Å
154	A	96.8	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-54.1	-33.6	173.8	0	0	0	0	0	110.9	A156 P229 T306 W401	A154-A156 VanDerWaalsContact C-N 3.25Å; A154-A156 PolarHBondContact O-N 3.42Å; A154-P229 PolarHBondContact N-O 3.48Å; A154-T306 HydrophobicContact CB-CG2 3.59Å; A154-W401 HydrophobicContact CB-CD2 4.46Å; A154-W401 HydrophobicContact CB-CE3 4.08Å; A154-W401 HydrophobicContact CB-CH2 3.85Å; A154-W401 HydrophobicContact CB-CZ2 4.22Å; A154-W401 HydrophobicContact CB-CZ3 3.76Å; A154-W401 WeakPolarHBondContact O-CH2 3.41Å; A154-W401 WeakPolarHBondContact O-CZ3 3.41Å
155	Y	95.3	Very high	96.6	Very high	11 Å²	11	29.6 Å²	29.6	4%	0.043	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-76.5	-0.9	-177.2	-58.5	-72.9	0	0	0	115.6	T153 Y157 C158 I205 I231 D274 F394 W399 W401	T153-Y155 PolarHBondContact O-N 2.84Å; T153-Y155 VanDerWaalsContact O-N 3.14Å; T153-Y155 PolarHBondContact OG1-N 2.85Å; Y155-Y157 PolarHBondContact O-N 2.99Å; Y155-C158 HydrophobicContact CD1-CB 4.13Å; Y155-C158 VanDerWaalsContact O-CB 3.28Å; Y155-C158 WeakPolarHBondContact O-CB 3.34Å; Y155-C158 PolarHBondContact O-N 3.23Å; Y155-C158 PolarHBondContact O-SG 3.03Å; Y155-I205 WeakPolarHBondContact O-CG2 3.3Å; Y155-I231 HydrophobicContact CE2-CG1 3.73Å; Y155-I231 WeakPolarHBondContact OH-CG1 3.46Å; Y155-D274 WeakPolarHBondContact OH-CB 3.48Å; Y155-F394 AromaticContact CD1-CD1 3.58Å; Y155-F394 HydrophobicContact CD1-CD1 3.58Å; Y155-F394 AromaticContact CD1-CE1 3.58Å; Y155-F394 HydrophobicContact CD1-CE1 3.58Å; Y155-F394 HydrophobicContact CD2-CD1 4.37Å; Y155-F394 HydrophobicContact CD2-CE1 4.1Å; Y155-F394 AromaticContact CE1-CD1 3.66Å; Y155-F394 HydrophobicContact CE1-CD1 3.66Å; Y155-F394 HydrophobicContact CE1-CE1 4.13Å; Y155-F394 HydrophobicContact CE2-CD1 4.42Å; Y155-F394 AromaticContact CG-CD1 3.96Å; Y155-F394 HydrophobicContact CG-CD1 3.96Å; Y155-F394 AromaticContact CG-CE1 3.56Å; Y155-F394 HydrophobicContact CG-CE1 3.56Å; Y155-W399 HydrophobicContact CD1-CE3 4.33Å; Y155-W399 HydrophobicContact CD1-CH2 4.43Å; Y155-W399 HydrophobicContact CD1-CZ3 4.26Å; Y155-W399 HydrophobicContact CE1-CD2 4.34Å; Y155-W399 AromaticContact CE1-CE3 3.72Å; Y155-W399 HydrophobicContact CE1-CE3 3.72Å; Y155-W399 HydrophobicContact CE1-CH2 4.22Å; Y155-W399 AromaticContact CE1-CZ3 3.65Å; Y155-W399 HydrophobicContact CE1-CZ3 3.65Å; Y155-W401 AromaticContact CD1-CH2 3.94Å; Y155-W401 HydrophobicContact CD1-CH2 3.94Å; Y155-W401 HydrophobicContact CD1-CZ2 4.16Å; Y155-W401 HydrophobicContact CE1-CH2 4.11Å; Y155-W401 AromaticContact CE1-CZ2 3.84Å; Y155-W401 HydrophobicContact CE1-CZ2 3.84Å
156	A	94.9	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-51	-33.9	-179.5	0	0	0	0	0	112.3	T153 A154 R200 I205 K208 A209	T153-A156 HydrophobicContact CG2-CB 4.28Å; T153-A156 WeakPolarHBondContact O-CB 3.37Å; T153-A156 PolarHBondContact O-N 3.48Å; T153-A156 VanDerWaalsContact O-N 3.12Å; A154-A156 VanDerWaalsContact C-N 3.25Å; A154-A156 PolarHBondContact O-N 3.42Å; A156-R200 PolarHBondContact O-NE 3.34Å; A156-I205 WeakPolarHBondContact O-CG2 3.13Å; A156-K208 HydrophobicContact CB-CB 4.45Å; A156-A209 HydrophobicContact CB-CB 4.23Å; A156-A209 WeakPolarHBondContact O-CB 3.36Å
157	Y	95	Very high	96.4	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-118.9	30.5	179.7	-55.5	-78.5	0	0	0	113	Y155 N159 R160 I163 Y168 A209 E212 R228	Y155-Y157 PolarHBondContact O-N 2.99Å; Y157-N159 PolarHBondContact O-N 2.83Å; Y157-N159 PolarHBondContact O-OD1 2.86Å; Y157-R160 WeakPolarHBondContact O-CB 3.33Å; Y157-R160 PolarHBondContact O-N 3.07Å; Y157-I163 VanDerWaalsContact O-CD1 3.29Å; Y157-I163 WeakPolarHBondContact O-CD1 3.48Å; Y157-Y168 AromaticContact CD1-CD2 3.74Å; Y157-Y168 HydrophobicContact CD1-CD2 3.74Å; Y157-Y168 HydrophobicContact CD1-CG 4.17Å; Y157-Y168 AromaticContact CD2-CD2 3.64Å; Y157-Y168 HydrophobicContact CD2-CD2 3.64Å; Y157-Y168 HydrophobicContact CD2-CE2 4.21Å; Y157-Y168 AromaticContact CE1-CD2 3.98Å; Y157-Y168 HydrophobicContact CE1-CD2 3.98Å; Y157-Y168 HydrophobicContact CE1-CG 4.23Å; Y157-Y168 AromaticContact CE2-CD2 3.89Å; Y157-Y168 HydrophobicContact CE2-CD2 3.89Å; Y157-Y168 AromaticContact CG-CD2 3.54Å; Y157-Y168 HydrophobicContact CG-CD2 3.54Å; Y157-Y168 HydrophobicContact CG-CE2 4.17Å; Y157-Y168 HydrophobicContact CG-CG 4.4Å; Y157-Y168 PolarHBondContact OH-N 3.38Å; Y157-Y168 PolarHBondContact OH-O 3.41Å; Y157-Y168 VanDerWaalsContact OH-O 3.1Å; Y157-A209 HydrophobicContact CD1-CB 4.32Å; Y157-A209 HydrophobicContact CE1-CB 3.78Å; Y157-E212 WeakPolarHBondContact CE2-OE2 3.4Å; Y157-R228 VanDerWaalsContact CE2-NH2 3.28Å
158	C	93.8	Very high	96.3	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.8	-179.7	63.9	0	0	0	0	115	Y155 R160 Y393 W399	Y155-C158 HydrophobicContact CD1-CB 4.13Å; Y155-C158 VanDerWaalsContact O-CB 3.28Å; Y155-C158 WeakPolarHBondContact O-CB 3.34Å; Y155-C158 PolarHBondContact O-N 3.23Å; Y155-C158 PolarHBondContact O-SG 3.03Å; C158-R160 PolarHBondContact O-N 3.44Å; C158-Y393 HydrophobicContact CB-CE1 4.04Å; C158-Y393 PolarHBondContact O-OH 3.4Å; C158-Y393 VanDerWaalsContact O-OH 3.12Å; C158-W399 HydrophobicContact CB-CZ2 3.89Å; C158-W399 PolarHBondContact O-NE1 3.44Å
159	N	92.9	Very high	95.9	Very high	58 Å²	58	35.4 Å²	35.4	31%	0.31	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.2	167.5	65.8	-62.7	0	0	0	113	Y157 D199 R200	Y157-N159 PolarHBondContact O-N 2.83Å; Y157-N159 PolarHBondContact O-OD1 2.86Å; N159-D199 HydrophobicContact CB-CB 4.1Å; N159-R200 HydrophobicContact CB-CG 4.43Å; N159-R200 PolarHBondContact OD1-NH2 3.03Å
160	R	94.2	Very high	95.5	Very high	112 Å²	112	36.6 Å²	36.6	42%	0.423	18%	0.184	S	C	.	.	S	Bend	trans	-106.6	148.4	171.1	-59.6	175.2	176.3	-100.1	-2.9	109.4	Y157 C158 I163	Y157-R160 WeakPolarHBondContact O-CB 3.33Å; Y157-R160 PolarHBondContact O-N 3.07Å; C158-R160 PolarHBondContact O-N 3.44Å; R160-I163 HydrophobicContact CB-CG1 4.1Å
161	K	93.6	Very high	94.7	Very high	144 Å²	144	40.9 Å²	40.9	63%	0.626	21%	0.212	S	C	*	.	S	Bend	trans	-80.2	-40.6	175.9	-172.5	173	-177.4	-179.8	0	112.9	V400	K161-V400 PolarHBondContact O-N 3.44Å
162	H	96.7	Very high	94.1	Very high	113 Å²	113	42.8 Å²	42.8	52%	0.523	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.3	175.9	-62.9	-87.1	0	0	0	108.3	V400	H162-V400 WeakPolarHBondContact CA-O 2.93Å; H162-V400 WeakPolarHBondContact ND1-CB 3.38Å
163	I	96.9	Very high	93.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111	-173.5	-63.2	163.2	0	0	0	108.3	Y157 R160 Y168 N304 W399 V400 W401 N402	Y157-I163 VanDerWaalsContact O-CD1 3.29Å; Y157-I163 WeakPolarHBondContact O-CD1 3.48Å; R160-I163 HydrophobicContact CB-CG1 4.1Å; I163-Y168 HydrophobicContact CG2-CE2 4.44Å; I163-N304 PolarHBondContact O-ND2 2.86Å; I163-W399 HydrophobicContact CD1-CG 4.32Å; I163-V400 PolarHBondContact N-O 3.08Å; I163-W401 HydrophobicContact CB-CE3 3.76Å; I163-W401 HydrophobicContact CB-CZ3 3.82Å; I163-W401 HydrophobicContact CD1-CE3 3.92Å; I163-W401 HydrophobicContact CD1-CH2 3.66Å; I163-W401 HydrophobicContact CD1-CZ3 3.15Å; I163-W401 HydrophobicContact CG1-CE3 4.4Å; I163-W401 HydrophobicContact CG1-CZ3 4.03Å; I163-W401 HydrophobicContact CG2-CE3 3.99Å; I163-W401 HydrophobicContact CG2-CZ3 3.91Å; I163-N402 PolarHBondContact O-N 3.44Å
164	D	97.6	Very high	93.6	Very high	72 Å²	72	46.1 Å²	46.1	39%	0.385	24%	0.241	S	C	.	.			trans	-86.6	164.2	-179	-50	-59.3	0	0	0	111.3	V166 Y168 R228	D164-V166 HydrophobicContact CB-CG2 4.14Å; D164-V166 PolarHBondContact O-N 3.48Å; D164-Y168 VanDerWaalsContact CB-OH 3.3Å; D164-Y168 WeakPolarHBondContact CB-OH 3.4Å; D164-Y168 PolarHBondContact N-OH 2.93Å; D164-Y168 PolarHBondContact OD2-OH 2.94Å; D164-R228 PolarHBondContact O-NH1 2.58Å
165	E	97.5	Very high	93.3	Very high	14 Å²	14	52.1 Å²	52.1	7%	0.065	27%	0.267	C	S	.	.	S	Bend	trans	-82.1	54	175.5	-73.4	-179.6	141.5	0	0	111.8	V302 Y303 N304 N402 D404 N405	E165-V302 HydrophobicContact CB-CB 4.17Å; E165-V302 VanDerWaalsContact CB-O 3.29Å; E165-V302 WeakPolarHBondContact CB-O 3.37Å; E165-V302 VanDerWaalsContact CD-O 3.29Å; E165-V302 WeakPolarHBondContact CG-O 3.41Å; E165-Y303 WeakPolarHBondContact OE1-CA 3.41Å; E165-N304 HydrophobicContact CG-CB 4.02Å; E165-N304 WeakPolarHBondContact CG-ND2 3.35Å; E165-N304 PolarHBondContact OE1-N 2.75Å; E165-N402 WeakPolarHBondContact CG-O 3.35Å; E165-D404 PolarHBondContact OE2-N 2.84Å; E165-D404 VanDerWaalsContact OE2-N 3.12Å; E165-N405 WeakPolarHBondContact CB-ND2 3.12Å; E165-N405 WeakPolarHBondContact OE2-CA 3.39Å; E165-N405 WeakPolarHBondContact OE2-CB 3.47Å; E165-N405 VanDerWaalsContact OE2-CG 3.26Å; E165-N405 PolarHBondContact OE2-N 3.02Å; E165-N405 PolarHBondContact OE2-ND2 3.42Å
166	V	97	Very high	93.1	Very high	70 Å²	70	58.4 Å²	58.4	42%	0.424	30%	0.295	S	S	.	.	S	Bend	trans	-134	152	175.3	-56.7	0	0	0	0	110.2	D164 Y168 R228	D164-V166 HydrophobicContact CB-CG2 4.14Å; D164-V166 PolarHBondContact O-N 3.48Å; V166-Y168 HydrophobicContact CG2-CD1 4.21Å; V166-Y168 HydrophobicContact CG2-CD2 4.47Å; V166-Y168 HydrophobicContact CG2-CE1 3.79Å; V166-Y168 HydrophobicContact CG2-CE2 4.09Å; V166-R228 PolarHBondContact O-NH1 3.26Å; V166-R228 PolarHBondContact O-NH2 2.96Å
167	V	96.4	Very high	93.1	Very high	15 Å²	15	58.8 Å²	58.8	9%	0.091	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-79.4	123.1	170.2	179.9	0	0	0	0	108.5	E212 Q216 I226 V302	V167-E212 HydrophobicContact CG1-CB 4.06Å; V167-E212 HydrophobicContact CG2-CB 4.39Å; V167-Q216 HydrophobicContact CB-CB 4.42Å; V167-Q216 HydrophobicContact CG1-CB 4.14Å; V167-Q216 HydrophobicContact CG2-CB 4.42Å; V167-I226 HydrophobicContact CG2-CD1 3.63Å; V167-V302 HydrophobicContact CG2-CG2 4.11Å
168	Y	94.8	Very high	92.9	Very high	20 Å²	20	59.3 Å²	59.3	8%	0.078	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-90.8	145.4	177.9	-59.5	-87.1	0	0	0	110.9	Y157 I163 D164 V166	Y157-Y168 AromaticContact CD1-CD2 3.74Å; Y157-Y168 HydrophobicContact CD1-CD2 3.74Å; Y157-Y168 HydrophobicContact CD1-CG 4.17Å; Y157-Y168 AromaticContact CD2-CD2 3.64Å; Y157-Y168 HydrophobicContact CD2-CD2 3.64Å; Y157-Y168 HydrophobicContact CD2-CE2 4.21Å; Y157-Y168 AromaticContact CE1-CD2 3.98Å; Y157-Y168 HydrophobicContact CE1-CD2 3.98Å; Y157-Y168 HydrophobicContact CE1-CG 4.23Å; Y157-Y168 AromaticContact CE2-CD2 3.89Å; Y157-Y168 HydrophobicContact CE2-CD2 3.89Å; Y157-Y168 AromaticContact CG-CD2 3.54Å; Y157-Y168 HydrophobicContact CG-CD2 3.54Å; Y157-Y168 HydrophobicContact CG-CE2 4.17Å; Y157-Y168 HydrophobicContact CG-CG 4.4Å; Y157-Y168 PolarHBondContact OH-N 3.38Å; Y157-Y168 PolarHBondContact OH-O 3.41Å; Y157-Y168 VanDerWaalsContact OH-O 3.1Å; I163-Y168 HydrophobicContact CG2-CE2 4.44Å; D164-Y168 VanDerWaalsContact CB-OH 3.3Å; D164-Y168 WeakPolarHBondContact CB-OH 3.4Å; D164-Y168 PolarHBondContact N-OH 2.93Å; D164-Y168 PolarHBondContact OD2-OH 2.94Å; V166-Y168 HydrophobicContact CG2-CD1 4.21Å; V166-Y168 HydrophobicContact CG2-CD2 4.47Å; V166-Y168 HydrophobicContact CG2-CE1 3.79Å; V166-Y168 HydrophobicContact CG2-CE2 4.09Å
169	P	91.9	Very high	92.9	Very high	92 Å²	92	62.8 Å²	62.8	60%	0.597	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-62.1	139.1	177	25.7	-34	0	0	0	111
170	P	89.7	Confident	92.9	Very high	25 Å²	25	61.8 Å²	61.8	16%	0.162	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-76.3	158.1	178	33.2	-36.7	0	0	0	110.7	V172 P174 L210 Y213	P170-V172 WeakPolarHBondContact CB-O 3.49Å; P170-V172 WeakPolarHBondContact CG-O 3.33Å; P170-V172 PolarHBondContact O-N 2.82Å; P170-P174 HydrophobicContact CG-CG 4.44Å; P170-L210 HydrophobicContact CB-CD2 3.7Å; P170-L210 HydrophobicContact CG-CD2 4.47Å; P170-Y213 VanDerWaalsContact CD-CE2 3.47Å; P170-Y213 HydrophobicContact CG-CD1 3.58Å; P170-Y213 HydrophobicContact CG-CD2 4.08Å; P170-Y213 HydrophobicContact CG-CE1 3.89Å; P170-Y213 HydrophobicContact CG-CE2 4.36Å; P170-Y213 HydrophobicContact CG-CG 3.65Å
171	P	80.9	Confident	92.8	Very high	90 Å²	90	56.8 Å²	56.8	58%	0.584	30%	0.297	S	S	*	.	S	Bend	trans	-68.8	-24.1	176.3	29.4	-35.2	0	0	0	112.7	Y206	P171-Y206 HydrophobicContact CG-CE2 4.17Å
172	V	86.8	Confident	92.6	Very high	49 Å²	49	56.9 Å²	56.9	30%	0.297	30%	0.3	S	S	.	.	S	Bend	trans	-132.9	139.6	179.7	-177.7	0	0	0	0	108.2	P170 L177 L196	P170-V172 WeakPolarHBondContact CB-O 3.49Å; P170-V172 WeakPolarHBondContact CG-O 3.33Å; P170-V172 PolarHBondContact O-N 2.82Å; V172-L177 HydrophobicContact CG1-CB 4.31Å; V172-L196 HydrophobicContact CG2-CD2 4.33Å
173	D	90.6	Very high	92.3	Very high	71 Å²	71	60 Å²	60	38%	0.38	31%	0.307	S	S	.	.			trans	-59.9	124.1	172.2	-175.7	-65.2	0	0	0	110.2	K175 K176 L177	D173-K175 PolarHBondContact O-N 3.31Å; D173-K175 WeakPolarHBondContact OD1-CA 3.13Å; D173-K175 VanDerWaalsContact OD1-CB 3.22Å; D173-K175 WeakPolarHBondContact OD1-CB 3.48Å; D173-K175 PolarHBondContact OD1-N 3.02Å; D173-K176 HydrophobicContact CB-CB 4.27Å; D173-K176 HydrophobicContact CB-CD 4.11Å; D173-K176 HydrophobicContact CB-CG 4.05Å; D173-K176 PolarHBondContact O-N 2.94Å; D173-K176 PolarHBondContact OD1-N 3.49Å; D173-L177 PolarHBondContact O-N 3.21Å; D173-L177 VanDerWaalsContact O-N 3.1Å
174	P	92	Very high	92	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-33.5	-176.8	-24.7	32.8	0	0	0	113.9	V129 P170 L177 I178 L210 Y213 V214	V129-P174 HydrophobicContact CG1-CB 4.4Å; P170-P174 HydrophobicContact CG-CG 4.44Å; P174-L177 PolarHBondContact O-N 3.48Å; P174-I178 WeakPolarHBondContact O-CD1 3.45Å; P174-I178 WeakPolarHBondContact O-CG1 3.36Å; P174-I178 PolarHBondContact O-N 3.41Å; P174-L210 HydrophobicContact CG-CD2 4.09Å; P174-Y213 HydrophobicContact CG-CD1 3.69Å; P174-Y213 HydrophobicContact CG-CE1 4.35Å; P174-V214 HydrophobicContact CB-CG2 3.68Å; P174-V214 HydrophobicContact CG-CG2 3.86Å
175	K	90.8	Very high	91.8	Very high	126 Å²	126	62.5 Å²	62.5	55%	0.548	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-46.9	179.3	-173.7	179.7	176.7	-178.3	0	110.5	D173 L177 I178 D179	D173-K175 PolarHBondContact O-N 3.31Å; D173-K175 WeakPolarHBondContact OD1-CA 3.13Å; D173-K175 VanDerWaalsContact OD1-CB 3.22Å; D173-K175 WeakPolarHBondContact OD1-CB 3.48Å; D173-K175 PolarHBondContact OD1-N 3.02Å; K175-L177 PolarHBondContact O-N 2.86Å; K175-I178 PolarHBondContact O-N 3.39Å; K175-I178 VanDerWaalsContact O-N 3.14Å; K175-D179 PolarHBondContact O-N 2.95Å
176	K	92.2	Very high	91.5	Very high	143 Å²	143	66 Å²	66	62%	0.622	34%	0.339	S	S	*	.	H	α-helix	trans	-59.8	-37.8	175.9	-65.8	-175.3	-178.3	178.5	0	112.1	D173 S180	D173-K176 HydrophobicContact CB-CB 4.27Å; D173-K176 HydrophobicContact CB-CD 4.11Å; D173-K176 HydrophobicContact CB-CG 4.05Å; D173-K176 PolarHBondContact O-N 2.94Å; D173-K176 PolarHBondContact OD1-N 3.49Å; K176-S180 VanDerWaalsContact O-CB 3.3Å; K176-S180 WeakPolarHBondContact O-CB 3.41Å; K176-S180 PolarHBondContact O-N 2.99Å; K176-S180 PolarHBondContact O-OG 3.32Å
177	L	93.1	Very high	91.3	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-46.3	175.6	178.3	64.9	0	0	0	111.4	V125 V172 D173 P174 K175 S180 L181 L196 Y206 L210	V125-L177 HydrophobicContact CG2-CD2 4.2Å; V172-L177 HydrophobicContact CG1-CB 4.31Å; D173-L177 PolarHBondContact O-N 3.21Å; D173-L177 VanDerWaalsContact O-N 3.1Å; P174-L177 PolarHBondContact O-N 3.48Å; K175-L177 PolarHBondContact O-N 2.86Å; L177-S180 WeakPolarHBondContact O-CB 3.33Å; L177-S180 PolarHBondContact O-N 2.95Å; L177-L181 HydrophobicContact CD1-CD1 4.15Å; L177-L181 HydrophobicContact CD1-CG 4.21Å; L177-L181 HydrophobicContact CG-CD1 4.03Å; L177-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 VanDerWaalsContact O-CG 3.3Å; L177-L181 WeakPolarHBondContact O-CG 3.48Å; L177-L181 PolarHBondContact O-N 2.94Å; L177-L196 HydrophobicContact CD1-CD1 3.84Å; L177-L196 HydrophobicContact CD1-CD2 4.49Å; L177-Y206 HydrophobicContact CD2-CE1 3.99Å; L177-L210 HydrophobicContact CD2-CD1 3.48Å; L177-L210 VanDerWaalsContact CD2-CD1 3.48Å
178	I	92.6	Very high	91.1	Very high	13 Å²	13	66.5 Å²	66.5	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-58.4	-53.2	177.3	-69.6	161.9	0	0	0	110	V125 V129 I130 P174 K175 S180 L181 E182	V125-I178 HydrophobicContact CG1-CG1 4.17Å; V129-I178 HydrophobicContact CG1-CD1 4.26Å; I130-I178 HydrophobicContact CD1-CG1 4.04Å; I130-I178 HydrophobicContact CD1-CG2 3.9Å; I130-I178 HydrophobicContact CG1-CD1 3.79Å; I130-I178 HydrophobicContact CG1-CG1 3.8Å; I130-I178 HydrophobicContact CG1-CG2 4.21Å; P174-I178 WeakPolarHBondContact O-CD1 3.45Å; P174-I178 WeakPolarHBondContact O-CG1 3.36Å; P174-I178 PolarHBondContact O-N 3.41Å; K175-I178 PolarHBondContact O-N 3.39Å; K175-I178 VanDerWaalsContact O-N 3.14Å; I178-S180 PolarHBondContact O-N 3.44Å; I178-L181 PolarHBondContact O-N 3.05Å; I178-E182 PolarHBondContact O-N 3.29Å; I178-E182 VanDerWaalsContact O-N 3.11Å
179	D	92.7	Very high	91	Very high	74 Å²	74	65.5 Å²	65.5	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-36.5	179.5	-60.7	-13.9	0	0	0	111.3	K175 W183	K175-D179 PolarHBondContact O-N 2.95Å; D179-W183 PolarHBondContact O-NE1 2.95Å
180	S	92.4	Very high	91	Very high	38 Å²	38	65 Å²	65	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-68.2	-44	176.5	-61.3	0	0	0	0	112.3	K176 L177 I178 E182 W183 M184	K176-S180 VanDerWaalsContact O-CB 3.3Å; K176-S180 WeakPolarHBondContact O-CB 3.41Å; K176-S180 PolarHBondContact O-N 2.99Å; K176-S180 PolarHBondContact O-OG 3.32Å; L177-S180 WeakPolarHBondContact O-CB 3.33Å; L177-S180 PolarHBondContact O-N 2.95Å; I178-S180 PolarHBondContact O-N 3.44Å; S180-E182 VanDerWaalsContact C-N 3.27Å; S180-E182 PolarHBondContact O-N 3.37Å; S180-W183 PolarHBondContact O-NE1 3.11Å; S180-M184 WeakPolarHBondContact O-CG 3.01Å; S180-M184 PolarHBondContact O-N 3.2Å
181	L	92.1	Very high	91.2	Very high	7 Å²	7	69.8 Å²	69.8	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-66.1	-30.3	-178.8	-70.8	172.6	0	0	0	111.8	R122 V125 L177 I178 W183 V189	R122-L181 VanDerWaalsContact CZ-O 3.31Å; R122-L181 PolarHBondContact NH1-O 2.73Å; R122-L181 PolarHBondContact NH2-O 2.9Å; V125-L181 HydrophobicContact CB-CD1 3.89Å; V125-L181 HydrophobicContact CG1-CD1 3.84Å; V125-L181 HydrophobicContact CG2-CD1 3.81Å; L177-L181 HydrophobicContact CD1-CD1 4.15Å; L177-L181 HydrophobicContact CD1-CG 4.21Å; L177-L181 HydrophobicContact CG-CD1 4.03Å; L177-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 VanDerWaalsContact O-CG 3.3Å; L177-L181 WeakPolarHBondContact O-CG 3.48Å; L177-L181 PolarHBondContact O-N 2.94Å; I178-L181 PolarHBondContact O-N 3.05Å; L181-W183 VanDerWaalsContact C-N 3.3Å; L181-W183 PolarHBondContact O-N 2.87Å; L181-V189 HydrophobicContact CD2-CB 4.47Å; L181-V189 HydrophobicContact CD2-CG1 3.98Å; L181-V189 HydrophobicContact CD2-CG2 3.64Å
182	E	89.3	Confident	91.7	Very high	146 Å²	146	67.6 Å²	67.6	68%	0.682	34%	0.343	S	S	*	.	H	α-helix	trans	-57.2	-37.3	-179.1	-75.8	-176.3	175.2	0	0	114	I178 S180	I178-E182 PolarHBondContact O-N 3.29Å; I178-E182 VanDerWaalsContact O-N 3.11Å; S180-E182 VanDerWaalsContact C-N 3.27Å; S180-E182 PolarHBondContact O-N 3.37Å
183	W	90.2	Very high	92	Very high	177 Å²	177	66 Å²	66	67%	0.67	33%	0.334	S	S	*	.	H	α-helix	trans	-105.4	-20.6	-176.5	62.5	-97	0	0	0	114.6	D179 S180 L181 L188	D179-W183 PolarHBondContact O-NE1 2.95Å; S180-W183 PolarHBondContact O-NE1 3.11Å; L181-W183 VanDerWaalsContact C-N 3.3Å; L181-W183 PolarHBondContact O-N 2.87Å; W183-L188 HydrophobicContact CZ3-CD2 4.3Å
184	M	92.5	Very high	92.1	Very high	28 Å²	28	66.5 Å²	66.5	14%	0.138	34%	0.34	C	S	.	.	S	Bend	trans	-65.3	144.9	177.4	-72.1	177	179.9	0	0	110.6	R122 S180 L188 V189 I192	R122-M184 PolarHBondContact NH2-O 2.74Å; S180-M184 WeakPolarHBondContact O-CG 3.01Å; S180-M184 PolarHBondContact O-N 3.2Å; M184-L188 HydrophobicContact CB-CD2 4.18Å; M184-L188 HydrophobicContact CG-CD2 3.74Å; M184-L188 HydrophobicContact CG-CG 4.36Å; M184-L188 HydrophobicContact SD-CD2 4.28Å; M184-L188 HydrophobicContact SD-CG 4.44Å; M184-V189 HydrophobicContact CB-CG2 3.88Å; M184-I192 HydrophobicContact CE-CD1 4.12Å; M184-I192 HydrophobicContact SD-CD1 3.51Å; M184-I192 VanDerWaalsContact SD-CD1 3.51Å
185	D	93.3	Very high	92.1	Very high	98 Å²	98	75 Å²	75	52%	0.524	38%	0.377	S	S	.	.			trans	-80.1	162.9	168.7	69.7	91.7	0	0	0	111.6	G187 L188 V189	D185-G187 VanDerWaalsContact C-N 3.26Å; D185-G187 PolarHBondContact O-N 3.24Å; D185-G187 VanDerWaalsContact OD1-CA 3.27Å; D185-G187 WeakPolarHBondContact OD1-CA 3.48Å; D185-G187 PolarHBondContact OD1-N 2.82Å; D185-L188 PolarHBondContact O-N 2.95Å; D185-L188 PolarHBondContact OD1-N 3.32Å; D185-L188 WeakPolarHBondContact OD2-CB 3.42Å; D185-V189 WeakPolarHBondContact O-CG2 3.35Å; D185-V189 PolarHBondContact O-N 2.72Å
186	D	89.6	Confident	92.1	Very high	87 Å²	87	70.7 Å²	70.7	47%	0.465	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-27.4	-176.4	-71.1	-21.4	0	0	0	113.6	R122 N190	R122-D186 IonicContact CZ-OD1 3.06Å; R122-D186 IonicContact NE-OD1 3.78Å; R122-D186 PolarHBondContact NE-OD1 3.1Å; R122-D186 IonicContact NH2-OD1 2.86Å; D186-N190 WeakPolarHBondContact O-CB 3.26Å; D186-N190 PolarHBondContact O-N 2.86Å; D186-N190 PolarHBondContact O-ND2 2.87Å
187	G	92.6	Very high	92.1	Very high	36 Å²	36	65.1 Å²	65.1	37%	0.371	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-51.9	174	0	0	0	0	0	110.7	D185 V189 N190 D191	D185-G187 VanDerWaalsContact C-N 3.26Å; D185-G187 PolarHBondContact O-N 3.24Å; D185-G187 VanDerWaalsContact OD1-CA 3.27Å; D185-G187 WeakPolarHBondContact OD1-CA 3.48Å; D185-G187 PolarHBondContact OD1-N 2.82Å; G187-V189 VanDerWaalsContact C-N 3.34Å; G187-V189 PolarHBondContact O-N 3.49Å; G187-N190 WeakPolarHBondContact O-CB 3.39Å; G187-N190 PolarHBondContact O-N 2.74Å; G187-N190 VanDerWaalsContact O-N 3.16Å; G187-D191 PolarHBondContact O-N 3.44Å
188	L	92.5	Very high	91.9	Very high	60 Å²	60	66.9 Å²	66.9	31%	0.314	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-41.7	176.7	-176.1	59.7	0	0	0	112.3	W183 M184 D185 N190 D191 I192	W183-L188 HydrophobicContact CZ3-CD2 4.3Å; M184-L188 HydrophobicContact CB-CD2 4.18Å; M184-L188 HydrophobicContact CG-CD2 3.74Å; M184-L188 HydrophobicContact CG-CG 4.36Å; M184-L188 HydrophobicContact SD-CD2 4.28Å; M184-L188 HydrophobicContact SD-CG 4.44Å; D185-L188 PolarHBondContact O-N 2.95Å; D185-L188 PolarHBondContact OD1-N 3.32Å; D185-L188 WeakPolarHBondContact OD2-CB 3.42Å; L188-N190 VanDerWaalsContact C-N 3.32Å; L188-N190 PolarHBondContact O-N 2.71Å; L188-D191 PolarHBondContact O-N 3.06Å; L188-I192 HydrophobicContact CD1-CG2 4.26Å; L188-I192 WeakPolarHBondContact O-CG1 3.42Å; L188-I192 PolarHBondContact O-N 2.62Å
189	V	93.3	Very high	91.8	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-58.6	-44.5	175.4	172.9	0	0	0	0	111	L121 L181 M184 D185 G187 D191 I192 T193	L121-V189 HydrophobicContact CB-CG1 4Å; L121-V189 HydrophobicContact CD2-CG1 4.37Å; L181-V189 HydrophobicContact CD2-CB 4.47Å; L181-V189 HydrophobicContact CD2-CG1 3.98Å; L181-V189 HydrophobicContact CD2-CG2 3.64Å; M184-V189 HydrophobicContact CB-CG2 3.88Å; D185-V189 WeakPolarHBondContact O-CG2 3.35Å; D185-V189 PolarHBondContact O-N 2.72Å; G187-V189 VanDerWaalsContact C-N 3.34Å; G187-V189 PolarHBondContact O-N 3.49Å; V189-D191 VanDerWaalsContact C-N 3.33Å; V189-D191 PolarHBondContact O-N 2.86Å; V189-I192 WeakPolarHBondContact O-CG1 3.47Å; V189-I192 PolarHBondContact O-N 2.53Å; V189-T193 WeakPolarHBondContact O-CB 3.26Å; V189-T193 PolarHBondContact O-N 3.19Å; V189-T193 PolarHBondContact O-OG1 2.88Å
190	N	92.7	Very high	91.7	Very high	82 Å²	82	70.2 Å²	70.2	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-63.7	-39.3	178.5	-71.6	-36.8	0	0	0	112	N120 D186 G187 L188 P194	N120-N190 PolarHBondContact ND2-OD1 3.28Å; N120-N190 VanDerWaalsContact ND2-OD1 3.16Å; D186-N190 WeakPolarHBondContact O-CB 3.26Å; D186-N190 PolarHBondContact O-N 2.86Å; D186-N190 PolarHBondContact O-ND2 2.87Å; G187-N190 WeakPolarHBondContact O-CB 3.39Å; G187-N190 PolarHBondContact O-N 2.74Å; G187-N190 VanDerWaalsContact O-N 3.16Å; L188-N190 VanDerWaalsContact C-N 3.32Å; L188-N190 PolarHBondContact O-N 2.71Å; N190-P194 VanDerWaalsContact O-CD 3.29Å; N190-P194 WeakPolarHBondContact O-CD 3.39Å
191	D	92.9	Very high	91.7	Very high	125 Å²	125	70.5 Å²	70.5	67%	0.668	37%	0.373	S	S	*	.	H	α-helix	trans	-68.5	-35.9	-179.9	-72.2	-15.4	0	0	0	112.9	G187 L188 V189	G187-D191 PolarHBondContact O-N 3.44Å; L188-D191 PolarHBondContact O-N 3.06Å; V189-D191 VanDerWaalsContact C-N 3.33Å; V189-D191 PolarHBondContact O-N 2.86Å
192	I	91.8	Very high	91.6	Very high	44 Å²	44	70.5 Å²	70.5	23%	0.226	37%	0.373	C	S	.	.	H	α-helix	trans	-85.7	-21.8	178.6	69.4	176.6	0	0	0	113.4	M184 L188 V189 K195 L196	M184-I192 HydrophobicContact CE-CD1 4.12Å; M184-I192 HydrophobicContact SD-CD1 3.51Å; M184-I192 VanDerWaalsContact SD-CD1 3.51Å; L188-I192 HydrophobicContact CD1-CG2 4.26Å; L188-I192 WeakPolarHBondContact O-CG1 3.42Å; L188-I192 PolarHBondContact O-N 2.62Å; V189-I192 WeakPolarHBondContact O-CG1 3.47Å; V189-I192 PolarHBondContact O-N 2.53Å; I192-K195 WeakPolarHBondContact O-CB 3.47Å; I192-K195 PolarHBondContact O-N 3.42Å; I192-L196 HydrophobicContact CD1-CD1 3.82Å; I192-L196 HydrophobicContact CG1-CD1 3.87Å; I192-L196 PolarHBondContact O-N 2.9Å; I192-L196 VanDerWaalsContact O-N 3.08Å
193	T	93.1	Very high	91.8	Very high	16 Å²	16	64 Å²	64	10%	0.098	34%	0.343	C	S	.	.	H	α-helix	trans	-51.2	-47.5	-175	-71.2	0	0	0	0	113	L121 V189 K195 L196 I197 T203	L121-T193 HydrophobicContact CB-CG2 4.16Å; L121-T193 WeakPolarHBondContact CB-OG1 3.47Å; L121-T193 HydrophobicContact CD2-CG2 4.46Å; L121-T193 WeakPolarHBondContact CD2-OG1 3.47Å; V189-T193 WeakPolarHBondContact O-CB 3.26Å; V189-T193 PolarHBondContact O-N 3.19Å; V189-T193 PolarHBondContact O-OG1 2.88Å; T193-K195 VanDerWaalsContact C-N 3.26Å; T193-K195 PolarHBondContact O-N 3.48Å; T193-L196 PolarHBondContact O-N 3.37Å; T193-L196 VanDerWaalsContact O-N 3.12Å; T193-I197 HydrophobicContact CG2-CG2 4.14Å; T193-I197 WeakPolarHBondContact O-CG1 3.4Å; T193-I197 PolarHBondContact O-N 3.39Å; T193-T203 HydrophobicContact CG2-CG2 3.85Å
194	P	92.4	Very high	91.9	Very high	81 Å²	81	56.9 Å²	56.9	53%	0.526	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-36.5	178.2	-25.9	35.4	0	0	0	113.5	N190 I197 G198	N190-P194 VanDerWaalsContact O-CD 3.29Å; N190-P194 WeakPolarHBondContact O-CD 3.39Å; P194-I197 WeakPolarHBondContact O-CG1 3.23Å; P194-G198 PolarHBondContact O-N 3.13Å
195	K	91.4	Very high	91.9	Very high	187 Å²	187	55.6 Å²	55.6	81%	0.813	31%	0.31	S	S	*	.	H	α-helix	trans	-72.5	-35.9	177.8	-64.9	-179	-179.8	175	0	112	I192 T193	I192-K195 WeakPolarHBondContact O-CB 3.47Å; I192-K195 PolarHBondContact O-N 3.42Å; T193-K195 VanDerWaalsContact C-N 3.26Å; T193-K195 PolarHBondContact O-N 3.48Å
196	L	91.3	Very high	92	Very high	34 Å²	34	51 Å²	51	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-71.5	-44	179.2	-69.8	175.4	0	0	0	112.6	L121 V172 L177 I192 T193 G198 Y206	L121-L196 HydrophobicContact CD2-CD1 3.49Å; L121-L196 VanDerWaalsContact CD2-CD1 3.49Å; V172-L196 HydrophobicContact CG2-CD2 4.33Å; L177-L196 HydrophobicContact CD1-CD1 3.84Å; L177-L196 HydrophobicContact CD1-CD2 4.49Å; I192-L196 HydrophobicContact CD1-CD1 3.82Å; I192-L196 HydrophobicContact CG1-CD1 3.87Å; I192-L196 PolarHBondContact O-N 2.9Å; I192-L196 VanDerWaalsContact O-N 3.08Å; T193-L196 PolarHBondContact O-N 3.37Å; T193-L196 VanDerWaalsContact O-N 3.12Å; L196-G198 VanDerWaalsContact C-N 3.28Å; L196-G198 PolarHBondContact O-N 2.78Å; L196-Y206 HydrophobicContact CB-CE1 4.47Å; L196-Y206 VanDerWaalsContact O-CE2 3.27Å; L196-Y206 WeakPolarHBondContact O-CE2 3.2Å
197	I	91.4	Very high	92.2	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.138	26%	0.263	C	S	.	.	H	α-helix	trans	-70.1	-29.1	179.6	67.9	-179.5	0	0	0	111.9	T193 P194 D199 R200 T203 Y206	T193-I197 HydrophobicContact CG2-CG2 4.14Å; T193-I197 WeakPolarHBondContact O-CG1 3.4Å; T193-I197 PolarHBondContact O-N 3.39Å; P194-I197 WeakPolarHBondContact O-CG1 3.23Å; I197-D199 PolarHBondContact O-N 2.76Å; I197-R200 WeakPolarHBondContact O-CB 3.38Å; I197-R200 PolarHBondContact O-N 2.87Å; I197-T203 HydrophobicContact CG2-CG2 4.24Å; I197-Y206 HydrophobicContact CG2-CD1 4.16Å; I197-Y206 HydrophobicContact CG2-CG 4.08Å
198	G	90.1	Very high	92.4	Very high	44 Å²	44	45.3 Å²	45.3	45%	0.454	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-130.4	179.6	0	0	0	0	0	111.8	P194 L196 R200	P194-G198 PolarHBondContact O-N 3.13Å; L196-G198 VanDerWaalsContact C-N 3.28Å; L196-G198 PolarHBondContact O-N 2.78Å; G198-R200 PolarHBondContact O-N 2.76Å; G198-R200 VanDerWaalsContact O-N 3.12Å
199	D	89.9	Confident	92.5	Very high	132 Å²	132	42.7 Å²	42.7	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	4.5	-178.4	-57.5	-37	0	0	0	114.4	N159 I197	N159-D199 HydrophobicContact CB-CB 4.1Å; I197-D199 PolarHBondContact O-N 2.76Å
200	R	91.8	Very high	92.7	Very high	26 Å²	26	42.7 Å²	42.7	10%	0.098	23%	0.233	C	C	.	.	S	Bend	trans	-82.6	141.3	177.7	-67	171.8	172	83.3	-0.5	110.3	A156 N159 I197 G198 N202 I205	A156-R200 PolarHBondContact O-NE 3.34Å; N159-R200 HydrophobicContact CB-CG 4.43Å; N159-R200 PolarHBondContact OD1-NH2 3.03Å; I197-R200 WeakPolarHBondContact O-CB 3.38Å; I197-R200 PolarHBondContact O-N 2.87Å; G198-R200 PolarHBondContact O-N 2.76Å; G198-R200 VanDerWaalsContact O-N 3.12Å; R200-N202 VanDerWaalsContact C-N 3.31Å; R200-N202 PolarHBondContact O-N 3Å; R200-I205 HydrophobicContact CB-CG2 4.17Å; R200-I205 HydrophobicContact CG-CG2 3.96Å
201	P	90.8	Very high	92.8	Very high	43 Å²	43	38.8 Å²	38.8	28%	0.279	21%	0.212	S	C	.	.	S	Bend	trans	-74.9	-15.2	-172.9	32	-39.8	0	0	0	114.5	I205 Y393 F394	P201-I205 HydrophobicContact CG-CD1 3.37Å; P201-Y393 HydrophobicContact CB-CD1 3.88Å; P201-Y393 HydrophobicContact CB-CD2 3.92Å; P201-Y393 HydrophobicContact CB-CE1 4.43Å; P201-Y393 HydrophobicContact CB-CE2 4.49Å; P201-Y393 HydrophobicContact CB-CG 3.57Å; P201-Y393 HydrophobicContact CG-CD1 3.56Å; P201-Y393 HydrophobicContact CG-CD2 4.4Å; P201-Y393 HydrophobicContact CG-CE1 3.88Å; P201-Y393 HydrophobicContact CG-CG 3.82Å; P201-F394 HydrophobicContact CG-CZ 4.09Å
202	N	91.9	Very high	93.1	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.037	18%	0.181	C	C	.	.	S	Bend	trans	-162.8	166.4	-179.6	54.9	59.6	0	0	0	113.4	F117 R200 Y204 I205 Y206	F117-N202 HydrophobicContact CB-CB 4.35Å; R200-N202 VanDerWaalsContact C-N 3.31Å; R200-N202 PolarHBondContact O-N 3Å; N202-Y204 VanDerWaalsContact C-N 3.3Å; N202-Y204 PolarHBondContact O-N 2.84Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.16Å; N202-Y204 PolarHBondContact OD1-N 3.24Å; N202-I205 PolarHBondContact O-N 2.85Å; N202-I205 PolarHBondContact OD1-N 2.73Å; N202-Y206 PolarHBondContact O-N 3.09Å
203	T	92.6	Very high	93.3	Very high	11 Å²	11	33 Å²	33	7%	0.067	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-32.2	177.6	49.6	0	0	0	0	112.9	E119 L121 T193 I197 Y206 T207	E119-T203 PolarHBondContact O-OG1 2.97Å; L121-T203 HydrophobicContact CB-CG2 4.23Å; L121-T203 HydrophobicContact CD1-CG2 4.32Å; T193-T203 HydrophobicContact CG2-CG2 3.85Å; I197-T203 HydrophobicContact CG2-CG2 4.24Å; T203-Y206 PolarHBondContact O-N 2.86Å; T203-T207 WeakPolarHBondContact O-CB 3.36Å; T203-T207 VanDerWaalsContact O-CG2 3.32Å; T203-T207 WeakPolarHBondContact O-CG2 3.42Å; T203-T207 PolarHBondContact O-N 3.35Å; T203-T207 PolarHBondContact O-OG1 3.36Å
204	Y	92.1	Very high	93.5	Very high	26 Å²	26	32.5 Å²	32.5	10%	0.102	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-50.8	177.6	166.4	-103.8	0	0	0	112.2	T114 V115 F117 T153 N202 Y206 T207 K208	T114-Y204 WeakPolarHBondContact O-CD2 3.43Å; T114-Y204 WeakPolarHBondContact O-CE2 3.38Å; V115-Y204 HydrophobicContact CG1-CE2 4.44Å; F117-Y204 AromaticContact CD1-CD1 3.9Å; F117-Y204 HydrophobicContact CD1-CD1 3.9Å; F117-Y204 HydrophobicContact CD1-CG 4.16Å; F117-Y204 AromaticContact CE1-CD1 3.55Å; F117-Y204 HydrophobicContact CE1-CD1 3.55Å; F117-Y204 HydrophobicContact CE1-CE1 4.01Å; F117-Y204 HydrophobicContact CE1-CG 4.18Å; T153-Y204 HydrophobicContact CG2-CE1 3.95Å; N202-Y204 VanDerWaalsContact C-N 3.3Å; N202-Y204 PolarHBondContact O-N 2.84Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.16Å; N202-Y204 PolarHBondContact OD1-N 3.24Å; Y204-Y206 VanDerWaalsContact C-N 3.33Å; Y204-Y206 PolarHBondContact O-N 3.31Å; Y204-T207 PolarHBondContact O-N 2.83Å; Y204-T207 PolarHBondContact O-OG1 2.84Å; Y204-T207 VanDerWaalsContact O-OG1 3.1Å; Y204-K208 HydrophobicContact CD2-CG 4.2Å; Y204-K208 HydrophobicContact CE1-CG 4.48Å; Y204-K208 HydrophobicContact CE2-CD 4.41Å; Y204-K208 HydrophobicContact CE2-CG 3.75Å; Y204-K208 PolarHBondContact O-N 2.99Å
205	I	93.3	Very high	93.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-44	179	-77.1	165.2	0	0	0	111.2	Y155 A156 R200 P201 N202 T207 K208 A209 F394	Y155-I205 WeakPolarHBondContact O-CG2 3.3Å; A156-I205 WeakPolarHBondContact O-CG2 3.13Å; R200-I205 HydrophobicContact CB-CG2 4.17Å; R200-I205 HydrophobicContact CG-CG2 3.96Å; P201-I205 HydrophobicContact CG-CD1 3.37Å; N202-I205 PolarHBondContact O-N 2.85Å; N202-I205 PolarHBondContact OD1-N 2.73Å; I205-T207 PolarHBondContact O-N 3.47Å; I205-K208 PolarHBondContact O-N 3.48Å; I205-A209 PolarHBondContact O-N 3.41Å; I205-F394 HydrophobicContact CD1-CE1 3.68Å; I205-F394 HydrophobicContact CD1-CZ 3.36Å; I205-F394 HydrophobicContact CG1-CZ 4.49Å
206	Y	94.3	Very high	93.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-58.8	-48.9	178.3	175.9	-112.4	0	0	0	111.7	L121 P171 L177 L196 I197 N202 T203 Y204 K208 A209 L210	L121-Y206 HydrophobicContact CD1-CD1 3.83Å; L121-Y206 HydrophobicContact CD1-CE1 3.96Å; P171-Y206 HydrophobicContact CG-CE2 4.17Å; L177-Y206 HydrophobicContact CD2-CE1 3.99Å; L196-Y206 HydrophobicContact CB-CE1 4.47Å; L196-Y206 VanDerWaalsContact O-CE2 3.27Å; L196-Y206 WeakPolarHBondContact O-CE2 3.2Å; I197-Y206 HydrophobicContact CG2-CD1 4.16Å; I197-Y206 HydrophobicContact CG2-CG 4.08Å; N202-Y206 PolarHBondContact O-N 3.09Å; T203-Y206 PolarHBondContact O-N 2.86Å; Y204-Y206 VanDerWaalsContact C-N 3.33Å; Y204-Y206 PolarHBondContact O-N 3.31Å; Y206-K208 PolarHBondContact O-N 2.79Å; Y206-A209 PolarHBondContact O-N 3.05Å; Y206-L210 HydrophobicContact CD1-CD1 3.91Å; Y206-L210 HydrophobicContact CE1-CD1 3.38Å; Y206-L210 HydrophobicContact CE1-CG 4.29Å; Y206-L210 HydrophobicContact CE2-CD1 4.25Å; Y206-L210 HydrophobicContact CE2-CG 4.32Å; Y206-L210 WeakPolarHBondContact O-CG 3.29Å; Y206-L210 PolarHBondContact O-N 3.27Å
207	T	94.9	Very high	94	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-71.2	-29.4	-178.6	54.4	0	0	0	0	113.2	L121 A124 V125 N128 V129 T203 Y204 I205 L210 A211	L121-T207 HydrophobicContact CD1-CG2 4.28Å; A124-T207 HydrophobicContact CB-CG2 3.76Å; V125-T207 HydrophobicContact CG2-CG2 3.73Å; N128-T207 PolarHBondContact ND2-OG1 2.98Å; V129-T207 HydrophobicContact CG2-CG2 4.48Å; T203-T207 WeakPolarHBondContact O-CB 3.36Å; T203-T207 VanDerWaalsContact O-CG2 3.32Å; T203-T207 WeakPolarHBondContact O-CG2 3.42Å; T203-T207 PolarHBondContact O-N 3.35Å; T203-T207 PolarHBondContact O-OG1 3.36Å; Y204-T207 PolarHBondContact O-N 2.83Å; Y204-T207 PolarHBondContact O-OG1 2.84Å; Y204-T207 VanDerWaalsContact O-OG1 3.1Å; I205-T207 PolarHBondContact O-N 3.47Å; T207-L210 PolarHBondContact O-N 3.46Å; T207-A211 WeakPolarHBondContact O-CB 3.34Å; T207-A211 PolarHBondContact O-N 3.38Å
208	K	95.6	Very high	94.2	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-41	170	-79.2	-63.3	-167.1	177.9	0	112.8	V151 T153 A156 Y204 I205 Y206 L210 A211 E212	V151-K208 PolarHBondContact O-NZ 3.27Å; T153-K208 HydrophobicContact CG2-CB 3.99Å; T153-K208 HydrophobicContact CG2-CG 4.04Å; A156-K208 HydrophobicContact CB-CB 4.45Å; Y204-K208 HydrophobicContact CD2-CG 4.2Å; Y204-K208 HydrophobicContact CE1-CG 4.48Å; Y204-K208 HydrophobicContact CE2-CD 4.41Å; Y204-K208 HydrophobicContact CE2-CG 3.75Å; Y204-K208 PolarHBondContact O-N 2.99Å; I205-K208 PolarHBondContact O-N 3.48Å; Y206-K208 PolarHBondContact O-N 2.79Å; K208-L210 VanDerWaalsContact C-N 3.35Å; K208-L210 PolarHBondContact O-N 3.49Å; K208-A211 WeakPolarHBondContact O-CB 3.39Å; K208-A211 PolarHBondContact O-N 3.13Å; K208-E212 WeakPolarHBondContact O-CG 3.49Å; K208-E212 PolarHBondContact O-N 2.93Å
209	A	95.8	Very high	94.3	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.033	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-40.5	173.2	0	0	0	0	0	112.4	A156 Y157 I205 Y206 E212 Y213	A156-A209 HydrophobicContact CB-CB 4.23Å; A156-A209 WeakPolarHBondContact O-CB 3.36Å; Y157-A209 HydrophobicContact CD1-CB 4.32Å; Y157-A209 HydrophobicContact CE1-CB 3.78Å; I205-A209 PolarHBondContact O-N 3.41Å; Y206-A209 PolarHBondContact O-N 3.05Å; A209-E212 PolarHBondContact O-N 2.96Å; A209-Y213 PolarHBondContact O-N 3.14Å
210	L	96	Very high	94.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-64	-42.3	174.1	-70.5	174.4	0	0	0	112	V129 P170 P174 L177 Y206 T207 K208 E212 Y213 V214	V129-L210 HydrophobicContact CG1-CB 4.48Å; V129-L210 HydrophobicContact CG2-CB 3.79Å; V129-L210 HydrophobicContact CG2-CD1 4.37Å; P170-L210 HydrophobicContact CB-CD2 3.7Å; P170-L210 HydrophobicContact CG-CD2 4.47Å; P174-L210 HydrophobicContact CG-CD2 4.09Å; L177-L210 HydrophobicContact CD2-CD1 3.48Å; L177-L210 VanDerWaalsContact CD2-CD1 3.48Å; Y206-L210 HydrophobicContact CD1-CD1 3.91Å; Y206-L210 HydrophobicContact CE1-CD1 3.38Å; Y206-L210 HydrophobicContact CE1-CG 4.29Å; Y206-L210 HydrophobicContact CE2-CD1 4.25Å; Y206-L210 HydrophobicContact CE2-CG 4.32Å; Y206-L210 WeakPolarHBondContact O-CG 3.29Å; Y206-L210 PolarHBondContact O-N 3.27Å; T207-L210 PolarHBondContact O-N 3.46Å; K208-L210 VanDerWaalsContact C-N 3.35Å; K208-L210 PolarHBondContact O-N 3.49Å; L210-E212 VanDerWaalsContact C-N 3.34Å; L210-E212 PolarHBondContact O-N 3.24Å; L210-Y213 PolarHBondContact O-N 2.89Å; L210-V214 PolarHBondContact O-N 3.35Å
211	A	96.5	Very high	94.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-45.1	177.8	0	0	0	0	0	111.6	N128 T207 K208 Y213 V214 V215	N128-A211 WeakPolarHBondContact O-CB 3.26Å; T207-A211 WeakPolarHBondContact O-CB 3.34Å; T207-A211 PolarHBondContact O-N 3.38Å; K208-A211 WeakPolarHBondContact O-CB 3.39Å; K208-A211 PolarHBondContact O-N 3.13Å; A211-Y213 VanDerWaalsContact C-N 3.29Å; A211-Y213 PolarHBondContact O-N 3.44Å; A211-V214 PolarHBondContact O-N 2.82Å; A211-V215 WeakPolarHBondContact O-CB 3.45Å; A211-V215 WeakPolarHBondContact O-CG2 3.05Å; A211-V215 PolarHBondContact O-N 3.36Å
212	E	97.4	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-38.6	176.6	-70	-170.8	-159.1	0	0	112.9	S152 Y157 V167 K208 A209 L210 V215 Q216 I226 R228	S152-E212 WeakPolarHBondContact CB-OE1 3.46Å; S152-E212 WeakPolarHBondContact OG-CG 3.34Å; S152-E212 PolarHBondContact OG-OE1 3.33Å; Y157-E212 WeakPolarHBondContact CE2-OE2 3.4Å; V167-E212 HydrophobicContact CG1-CB 4.06Å; V167-E212 HydrophobicContact CG2-CB 4.39Å; K208-E212 WeakPolarHBondContact O-CG 3.49Å; K208-E212 PolarHBondContact O-N 2.93Å; A209-E212 PolarHBondContact O-N 2.96Å; L210-E212 VanDerWaalsContact C-N 3.34Å; L210-E212 PolarHBondContact O-N 3.24Å; E212-V215 WeakPolarHBondContact O-CB 3.34Å; E212-V215 PolarHBondContact O-N 3.38Å; E212-Q216 WeakPolarHBondContact O-CB 3.34Å; E212-Q216 PolarHBondContact O-N 3.43Å; E212-I226 HydrophobicContact CB-CD1 4.23Å; E212-I226 HydrophobicContact CG-CD1 4.17Å; E212-I226 HydrophobicContact CG-CG2 4.29Å; E212-R228 VanDerWaalsContact CD-NE 3.35Å; E212-R228 IonicContact OE1-CZ 3.62Å; E212-R228 IonicContact OE1-NE 3.51Å; E212-R228 PolarHBondContact OE1-NE 3.37Å; E212-R228 IonicContact OE1-NH2 2.81Å; E212-R228 IonicContact OE2-CZ 3.98Å; E212-R228 VanDerWaalsContact OE2-CZ 3.24Å; E212-R228 IonicContact OE2-NE 2.67Å; E212-R228 PolarHBondContact OE2-NE 3Å; E212-R228 IonicContact OE2-NH2 3.8Å; E212-R228 PolarHBondContact OE2-NH2 3.35Å
213	Y	96.6	Very high	94.8	Very high	47 Å²	47	31.2 Å²	31.2	18%	0.184	16%	0.158	C	C	.	.	H	α-helix	trans	-68.5	-40.3	176.1	-173.3	-101.7	0	0	0	112.2	P170 P174 A209 L210 A211 V215 Q216 Q217	P170-Y213 VanDerWaalsContact CD-CE2 3.47Å; P170-Y213 HydrophobicContact CG-CD1 3.58Å; P170-Y213 HydrophobicContact CG-CD2 4.08Å; P170-Y213 HydrophobicContact CG-CE1 3.89Å; P170-Y213 HydrophobicContact CG-CE2 4.36Å; P170-Y213 HydrophobicContact CG-CG 3.65Å; P174-Y213 HydrophobicContact CG-CD1 3.69Å; P174-Y213 HydrophobicContact CG-CE1 4.35Å; A209-Y213 PolarHBondContact O-N 3.14Å; L210-Y213 PolarHBondContact O-N 2.89Å; A211-Y213 VanDerWaalsContact C-N 3.29Å; A211-Y213 PolarHBondContact O-N 3.44Å; Y213-V215 VanDerWaalsContact C-N 3.31Å; Y213-V215 PolarHBondContact O-N 2.91Å; Y213-Q216 PolarHBondContact O-N 3.11Å; Y213-Q217 HydrophobicContact CD1-CG 3.92Å; Y213-Q217 HydrophobicContact CD2-CG 4.33Å; Y213-Q217 HydrophobicContact CE1-CG 3.56Å; Y213-Q217 HydrophobicContact CE2-CG 4Å; Y213-Q217 HydrophobicContact CG-CG 4.33Å; Y213-Q217 WeakPolarHBondContact O-CB 3.43Å; Y213-Q217 WeakPolarHBondContact O-CG 3.39Å; Y213-Q217 PolarHBondContact O-N 3.07Å
214	V	96.6	Very high	95.1	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-44	172	169.6	0	0	0	0	110.8	V129 R133 I136 P174 L210 A211 Q216 Q217 E218	V129-V214 HydrophobicContact CG1-CG2 3.72Å; R133-V214 HydrophobicContact CB-CG1 3.82Å; R133-V214 HydrophobicContact CG-CG1 4.02Å; I136-V214 HydrophobicContact CD1-CG1 4.18Å; P174-V214 HydrophobicContact CB-CG2 3.68Å; P174-V214 HydrophobicContact CG-CG2 3.86Å; L210-V214 PolarHBondContact O-N 3.35Å; A211-V214 PolarHBondContact O-N 2.82Å; V214-Q216 VanDerWaalsContact C-N 3.3Å; V214-Q216 PolarHBondContact O-N 3.37Å; V214-Q217 PolarHBondContact O-N 3.35Å; V214-E218 HydrophobicContact CG1-CG 4.45Å; V214-E218 WeakPolarHBondContact O-CB 3.02Å; V214-E218 PolarHBondContact O-N 2.8Å
215	V	97.1	Very high	95.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-41.8	175	171.7	0	0	0	0	111.1	T132 I136 H150 A211 E212 Y213 G219 V224 I226	T132-V215 HydrophobicContact CG2-CG2 3.54Å; I136-V215 HydrophobicContact CD1-CB 4.31Å; I136-V215 HydrophobicContact CD1-CG2 3.88Å; H150-V215 HydrophobicContact CB-CG1 4.41Å; H150-V215 HydrophobicContact CB-CG2 4.33Å; A211-V215 WeakPolarHBondContact O-CB 3.45Å; A211-V215 WeakPolarHBondContact O-CG2 3.05Å; A211-V215 PolarHBondContact O-N 3.36Å; E212-V215 WeakPolarHBondContact O-CB 3.34Å; E212-V215 PolarHBondContact O-N 3.38Å; Y213-V215 VanDerWaalsContact C-N 3.31Å; Y213-V215 PolarHBondContact O-N 2.91Å; V215-G219 WeakPolarHBondContact O-CA 3.49Å; V215-G219 PolarHBondContact O-N 2.93Å; V215-V224 HydrophobicContact CG1-CG1 3.39Å; V215-I226 HydrophobicContact CG1-CD1 4.21Å; V215-I226 HydrophobicContact CG1-CG1 4.32Å
216	Q	95.8	Very high	95.6	Very high	61 Å²	61	29.6 Å²	29.6	29%	0.285	15%	0.15	S	C	.	.	H	α-helix	trans	-67.2	-46.7	177.4	-178.2	-178.4	56.3	0	0	113.2	V167 E212 Y213 V214 I300	V167-Q216 HydrophobicContact CB-CB 4.42Å; V167-Q216 HydrophobicContact CG1-CB 4.14Å; V167-Q216 HydrophobicContact CG2-CB 4.42Å; E212-Q216 WeakPolarHBondContact O-CB 3.34Å; E212-Q216 PolarHBondContact O-N 3.43Å; Y213-Q216 PolarHBondContact O-N 3.11Å; V214-Q216 VanDerWaalsContact C-N 3.3Å; V214-Q216 PolarHBondContact O-N 3.37Å; Q216-I300 HydrophobicContact CB-CD1 4.01Å; Q216-I300 HydrophobicContact CG-CD1 4.07Å
217	Q	94.1	Very high	95.8	Very high	107 Å²	107	29.5 Å²	29.5	50%	0.5	15%	0.15	S	C	.	.	H	α-helix	trans	-76.5	-51.6	-174.2	-67.7	-62.5	-44	0	0	112	Y213 V214	Y213-Q217 HydrophobicContact CD1-CG 3.92Å; Y213-Q217 HydrophobicContact CD2-CG 4.33Å; Y213-Q217 HydrophobicContact CE1-CG 3.56Å; Y213-Q217 HydrophobicContact CE2-CG 4Å; Y213-Q217 HydrophobicContact CG-CG 4.33Å; Y213-Q217 WeakPolarHBondContact O-CB 3.43Å; Y213-Q217 WeakPolarHBondContact O-CG 3.39Å; Y213-Q217 PolarHBondContact O-N 3.07Å; V214-Q217 PolarHBondContact O-N 3.35Å
218	E	94.2	Very high	96	Very high	50 Å²	50	29.5 Å²	29.5	23%	0.234	15%	0.15	C	C	.	.	H	α-helix	trans	-85.2	-23.9	-175.6	-58.2	-163.2	-156.8	0	0	111.8	R133 I136 Q140 V214 A220	R133-E218 VanDerWaalsContact CD-OE1 3.26Å; R133-E218 WeakPolarHBondContact CD-OE1 3.44Å; R133-E218 WeakPolarHBondContact CG-OE2 3.06Å; R133-E218 IonicContact CZ-OE1 3.88Å; R133-E218 IonicContact CZ-OE2 2.77Å; R133-E218 VanDerWaalsContact NE-CD 3.29Å; R133-E218 IonicContact NE-OE1 3.95Å; R133-E218 PolarHBondContact NE-OE1 2.96Å; R133-E218 IonicContact NE-OE2 2.68Å; R133-E218 PolarHBondContact NE-OE2 3.01Å; R133-E218 IonicContact NH2-OE2 3.42Å; I136-E218 HydrophobicContact CG2-CB 4.06Å; I136-E218 WeakPolarHBondContact CG2-O 3.19Å; Q140-E218 PolarHBondContact NE2-O 3.38Å; V214-E218 HydrophobicContact CG1-CG 4.45Å; V214-E218 WeakPolarHBondContact O-CB 3.02Å; V214-E218 PolarHBondContact O-N 2.8Å; E218-A220 VanDerWaalsContact C-N 3.29Å; E218-A220 PolarHBondContact O-N 3.36Å
219	G	92.9	Very high	96.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	5	174	0	0	0	0	0	114.6	V215 K221 L222 V224	V215-G219 WeakPolarHBondContact O-CA 3.49Å; V215-G219 PolarHBondContact O-N 2.93Å; G219-K221 PolarHBondContact O-N 3.09Å; G219-L222 WeakPolarHBondContact O-CA 3.49Å; G219-L222 WeakPolarHBondContact O-CB 3.36Å; G219-L222 PolarHBondContact O-N 3.39Å; G219-V224 WeakPolarHBondContact O-CG2 3.19Å
220	A	90.8	Very high	96.2	Very high	79 Å²	79	29.7 Å²	29.7	65%	0.653	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.8	-173	0	0	0	0	0	115.2	E218	E218-A220 VanDerWaalsContact C-N 3.29Å; E218-A220 PolarHBondContact O-N 3.36Å
221	K	90.9	Very high	96.1	Very high	191 Å²	191	31 Å²	31	83%	0.83	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.6	175.1	-65.6	-177	-179.9	178.7	0	113.6	G219	G219-K221 PolarHBondContact O-N 3.09Å
222	L	96.4	Very high	96.1	Very high	31 Å²	31	33 Å²	33	16%	0.162	17%	0.17	C	C	.	.	S	Bend	trans	-102.5	154.6	-179.4	-57.4	-179.7	0	0	0	109.5	I136 A139 Q140 L145 F148 G219 V224	I136-L222 HydrophobicContact CG2-CD1 4.17Å; A139-L222 HydrophobicContact CB-CD1 3.72Å; Q140-L222 HydrophobicContact CG-CD1 4.25Å; Q140-L222 HydrophobicContact CG-CD2 4.17Å; Q140-L222 HydrophobicContact CG-CG 4.22Å; L145-L222 HydrophobicContact CD2-CD2 4.05Å; F148-L222 HydrophobicContact CB-CD1 4.49Å; F148-L222 HydrophobicContact CD2-CD1 4.47Å; G219-L222 WeakPolarHBondContact O-CA 3.49Å; G219-L222 WeakPolarHBondContact O-CB 3.36Å; G219-L222 PolarHBondContact O-N 3.39Å; L222-V224 HydrophobicContact CB-CG2 3.74Å; L222-V224 PolarHBondContact O-N 3.21Å
223	N	97.4	Very high	96	Very high	34 Å²	34	33 Å²	33	18%	0.182	17%	0.17	C	C	.	.			trans	-81.6	99.6	167.2	-178.4	21.3	0	0	0	108.7	E146 V147 F148 S292	E146-N223 VanDerWaalsContact O-CB 3.25Å; E146-N223 WeakPolarHBondContact O-CB 3.47Å; E146-N223 PolarHBondContact O-ND2 2.84Å; V147-N223 WeakPolarHBondContact CA-O 3.34Å; F148-N223 PolarHBondContact N-O 3.34Å; N223-S292 PolarHBondContact ND2-O 2.92Å
224	V	97.9	Very high	96.1	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.6	-171.8	-174.8	0	0	0	0	111.3	F148 V215 G219 L222 I300	F148-V224 HydrophobicContact CB-CG2 4.27Å; F148-V224 HydrophobicContact CD1-CG1 4.23Å; F148-V224 WeakPolarHBondContact O-CA 3.37Å; V215-V224 HydrophobicContact CG1-CG1 3.39Å; G219-V224 WeakPolarHBondContact O-CG2 3.19Å; L222-V224 HydrophobicContact CB-CG2 3.74Å; L222-V224 PolarHBondContact O-N 3.21Å; V224-I300 HydrophobicContact CB-CD1 4.2Å; V224-I300 HydrophobicContact CB-CG1 4.18Å; V224-I300 HydrophobicContact CB-CG2 4.44Å; V224-I300 HydrophobicContact CG1-CD1 4.48Å; V224-I300 HydrophobicContact CG1-CG2 4.31Å
225	A	98.3	Very high	96.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	159.6	162.2	0	0	0	0	0	110.5	F148 M149 H150 M301 Y303	F148-A225 PolarHBondContact O-N 2.78Å; F148-A225 VanDerWaalsContact O-N 3.07Å; M149-A225 HydrophobicContact CE-CB 3.33Å; M149-A225 WeakPolarHBondContact CE-O 3.43Å; M149-A225 HydrophobicContact SD-CB 4.26Å; H150-A225 PolarHBondContact N-O 3.45Å; A225-M301 CarbonylContact C-O 3.57Å; A225-M301 VanDerWaalsContact CA-O 3.3Å; A225-M301 WeakPolarHBondContact CA-O 3.29Å; A225-M301 HydrophobicContact CB-CB 4.46Å; A225-Y303 HydrophobicContact CB-CE2 4.17Å
226	I	98.8	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.4	176.3	-58	175.2	0	0	0	108.9	M149 H150 V167 E212 V215 R228 I300 M301 V302 Y303	M149-I226 VanDerWaalsContact CE-N 3.33Å; H150-I226 HydrophobicContact CB-CG1 4.29Å; H150-I226 CarbonylContact O-C 3.57Å; H150-I226 WeakPolarHBondContact O-CA 3.46Å; V167-I226 HydrophobicContact CG2-CD1 3.63Å; E212-I226 HydrophobicContact CB-CD1 4.23Å; E212-I226 HydrophobicContact CG-CD1 4.17Å; E212-I226 HydrophobicContact CG-CG2 4.29Å; V215-I226 HydrophobicContact CG1-CD1 4.21Å; V215-I226 HydrophobicContact CG1-CG1 4.32Å; I226-R228 HydrophobicContact CG2-CG 4.18Å; I226-I300 HydrophobicContact CD1-CG2 4.06Å; I226-I300 HydrophobicContact CG1-CG2 4.07Å; I226-M301 PolarHBondContact N-O 3.29Å; I226-V302 HydrophobicContact CB-CG1 4.38Å; I226-V302 HydrophobicContact CB-CG2 4.3Å; I226-V302 HydrophobicContact CD1-CG2 4.38Å; I226-V302 HydrophobicContact CG2-CG1 4.43Å; I226-V302 CarbonylContact O-C 3.57Å; I226-V302 WeakPolarHBondContact O-CA 3.35Å; I226-Y303 PolarHBondContact O-N 3.24Å
227	V	98.8	Very high	96.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.3	168.4	176.5	0	0	0	0	108.9	M149 H150 S152 P229 V281 T284 A288 Y303 C305	M149-V227 HydrophobicContact CE-CG2 3.82Å; M149-V227 HydrophobicContact SD-CG2 3.76Å; H150-V227 PolarHBondContact O-N 3.25Å; S152-V227 PolarHBondContact N-O 2.98Å; V227-P229 VanDerWaalsContact O-CD 3.26Å; V227-P229 WeakPolarHBondContact O-CD 3.37Å; V227-V281 HydrophobicContact CG1-CG1 4.5Å; V227-T284 HydrophobicContact CG1-CG2 4.22Å; V227-T284 HydrophobicContact CG2-CG2 4.32Å; V227-A288 HydrophobicContact CG2-CB 4.16Å; V227-Y303 HydrophobicContact CG2-CD2 4.22Å; V227-C305 HydrophobicContact CG1-CB 3.96Å
228	R	98.5	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	87.2	-179.7	-77.9	-179.4	-175.8	157.5	5.7	109.9	Y157 D164 V166 E212 I226 V302 Y303 N304 C305	Y157-R228 VanDerWaalsContact CE2-NH2 3.28Å; D164-R228 PolarHBondContact O-NH1 2.58Å; V166-R228 PolarHBondContact O-NH1 3.26Å; V166-R228 PolarHBondContact O-NH2 2.96Å; E212-R228 VanDerWaalsContact CD-NE 3.35Å; E212-R228 IonicContact OE1-CZ 3.62Å; E212-R228 IonicContact OE1-NE 3.51Å; E212-R228 PolarHBondContact OE1-NE 3.37Å; E212-R228 IonicContact OE1-NH2 2.81Å; E212-R228 IonicContact OE2-CZ 3.98Å; E212-R228 VanDerWaalsContact OE2-CZ 3.24Å; E212-R228 IonicContact OE2-NE 2.67Å; E212-R228 PolarHBondContact OE2-NE 3Å; E212-R228 IonicContact OE2-NH2 3.8Å; E212-R228 PolarHBondContact OE2-NH2 3.35Å; I226-R228 HydrophobicContact CG2-CG 4.18Å; R228-V302 HydrophobicContact CG-CG1 4.26Å; R228-V302 VanDerWaalsContact CZ-CG1 3.49Å; R228-Y303 PolarHBondContact N-O 3.03Å; R228-N304 WeakPolarHBondContact CD-OD1 3.38Å; R228-N304 PolarHBondContact NH1-OD1 2.73Å; R228-C305 PolarHBondContact O-N 3.36Å
229	P	97.8	Very high	95.7	Very high	8 Å²	8	27.3 Å²	27.3	5%	0.052	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	144.3	172.8	28.6	-34.5	0	0	0	112	V151 S152 T153 A154 V227 V232 V276 V281 C305	V151-P229 HydrophobicContact CG1-CG 4.11Å; S152-P229 WeakPolarHBondContact O-CD 3.26Å; T153-P229 CarbonylContact C-O 3.59Å; T153-P229 WeakPolarHBondContact CA-O 3.35Å; T153-P229 PolarHBondContact OG1-O 3.2Å; A154-P229 PolarHBondContact N-O 3.48Å; V227-P229 VanDerWaalsContact O-CD 3.26Å; V227-P229 WeakPolarHBondContact O-CD 3.37Å; P229-V232 HydrophobicContact CB-CG2 3.78Å; P229-V232 HydrophobicContact CG-CG2 4.26Å; P229-V276 HydrophobicContact CB-CG1 4.25Å; P229-V281 HydrophobicContact CB-CB 4.49Å; P229-V281 HydrophobicContact CB-CG1 3.82Å; P229-V281 HydrophobicContact CB-CG2 3.77Å; P229-V281 HydrophobicContact CG-CG1 4.18Å; P229-C305 WeakPolarHBondContact CA-O 3.23Å
230	S	96.4	Very high	95.7	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	15%	0.152	C	C	.	.			trans	-75.2	-151.9	162.2	68.4	0	0	0	0	111.2	V232 D274 V276 C305	S230-V232 PolarHBondContact O-N 2.89Å; S230-D274 WeakPolarHBondContact CB-O 3.38Å; S230-D274 PolarHBondContact OG-O 3.08Å; S230-V276 WeakPolarHBondContact OG-CG1 3.48Å; S230-C305 PolarHBondContact N-O 3.11Å
231	I	95.2	Very high	96	Very high	29 Å²	29	28.9 Å²	28.9	15%	0.149	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	104.8	-178.7	-59.4	170	0	0	0	109.2	Y155 G233 P250 D274 L275 V276 W315	Y155-I231 HydrophobicContact CE2-CG1 3.73Å; Y155-I231 WeakPolarHBondContact OH-CG1 3.46Å; I231-G233 PolarHBondContact O-N 3.07Å; I231-P250 HydrophobicContact CG2-CG 3.41Å; I231-P250 VanDerWaalsContact CG2-CG 3.41Å; I231-D274 WeakPolarHBondContact CB-O 3.16Å; I231-D274 PolarHBondContact N-O 3Å; I231-L275 HydrophobicContact CB-CD2 3.94Å; I231-L275 HydrophobicContact CG2-CD2 3.67Å; I231-L275 CarbonylContact O-C 3.59Å; I231-L275 WeakPolarHBondContact O-CA 3.42Å; I231-V276 PolarHBondContact O-N 3.45Å; I231-W315 HydrophobicContact CD1-CH2 4.35Å; I231-W315 HydrophobicContact CD1-CZ2 4.08Å
232	V	96.3	Very high	96.3	Very high	40 Å²	40	19.8 Å²	19.8	24%	0.242	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.7	-179.2	-166.5	0	0	0	0	110.4	F21 P229 S230 V276 V278 V281	F21-V232 HydrophobicContact CD1-CG1 4.39Å; F21-V232 HydrophobicContact CE1-CB 4.49Å; F21-V232 HydrophobicContact CE1-CG1 3.8Å; P229-V232 HydrophobicContact CB-CG2 3.78Å; P229-V232 HydrophobicContact CG-CG2 4.26Å; S230-V232 PolarHBondContact O-N 2.89Å; V232-V276 CarbonylContact C-O 3.51Å; V232-V276 VanDerWaalsContact CA-O 3.31Å; V232-V276 WeakPolarHBondContact CA-O 3.17Å; V232-V276 HydrophobicContact CG2-CG1 4.22Å; V232-V278 HydrophobicContact CG1-CB 3.65Å; V232-V278 HydrophobicContact CG1-CG2 3.91Å; V232-V281 HydrophobicContact CG1-CG2 4.39Å; V232-V281 HydrophobicContact CG2-CG2 4.26Å
233	G	96.3	Very high	96.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-164.3	177.4	0	0	0	0	0	113.3	F21 I231 V276 V278	F21-G233 WeakPolarHBondContact CE1-O 3.2Å; F21-G233 WeakPolarHBondContact CZ-O 3.44Å; I231-G233 PolarHBondContact O-N 3.07Å; G233-V276 PolarHBondContact N-O 3.5Å; G233-V278 PolarHBondContact O-N 3.19Å
234	A	97.5	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-62.4	165.4	174.6	0	0	0	0	0	112.2	W243 I244 P277 Y433 Y437	A234-W243 VanDerWaalsContact CA-O 3.28Å; A234-W243 WeakPolarHBondContact CA-O 3.42Å; A234-W243 WeakPolarHBondContact CB-O 3.49Å; A234-I244 HydrophobicContact CB-CB 4.01Å; A234-I244 HydrophobicContact CB-CG2 4.32Å; A234-P277 WeakPolarHBondContact O-CA 3.44Å; A234-Y433 PolarHBondContact N-OH 3.47Å; A234-Y433 WeakPolarHBondContact O-CE2 3.38Å; A234-Y433 PolarHBondContact O-OH 3.06Å; A234-Y433 VanDerWaalsContact O-OH 3.09Å; A234-Y437 HydrophobicContact CB-CD1 4.16Å; A234-Y437 HydrophobicContact CB-CD2 3.37Å; A234-Y437 HydrophobicContact CB-CE1 4.47Å; A234-Y437 HydrophobicContact CB-CE2 3.76Å; A234-Y437 HydrophobicContact CB-CG 3.62Å
235	S	97.6	Very high	95.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	10%	0.102	C	C	.	.			trans	-63.2	142.2	172.7	53.1	0	0	0	0	111.5	E238 F240 G242 W243 D279	S235-E238 WeakPolarHBondContact CB-O 3.33Å; S235-F240 PolarHBondContact OG-O 3.01Å; S235-G242 PolarHBondContact O-N 2.75Å; S235-G242 PolarHBondContact OG-N 2.89Å; S235-W243 PolarHBondContact N-O 3.04Å; S235-W243 WeakPolarHBondContact OG-CA 3.39Å; S235-W243 VanDerWaalsContact OG-CB 3.26Å; S235-W243 WeakPolarHBondContact OG-CB 3.39Å; S235-W243 PolarHBondContact OG-N 3.4Å; S235-D279 WeakPolarHBondContact CA-OD1 3.31Å
236	W	97.9	Very high	95.6	Very high	27 Å²	27	20.9 Å²	20.9	10%	0.102	11%	0.108	C	C	.	.	S	Bend	trans	-84.1	-53.5	172.1	172.1	30	0	0	0	111.3	P241 P277 D279 V280 N422 Q427 L428 Y433	W236-P241 WeakPolarHBondContact O-CA 3.46Å; W236-P241 WeakPolarHBondContact O-CB 3.39Å; W236-P277 HydrophobicContact CB-CB 3.65Å; W236-P277 HydrophobicContact CB-CG 3.75Å; W236-D279 PolarHBondContact N-OD1 3.32Å; W236-D279 PolarHBondContact N-OD2 3.12Å; W236-V280 HydrophobicContact CE3-CG2 4.14Å; W236-N422 WeakPolarHBondContact CZ3-ND2 3.37Å; W236-Q427 HydrophobicContact CH2-CB 3.67Å; W236-Q427 HydrophobicContact CZ2-CB 4.32Å; W236-Q427 WeakPolarHBondContact CZ2-O 3.35Å; W236-L428 HydrophobicContact CB-CD1 4.12Å; W236-L428 VanDerWaalsContact CD1-CD1 3.42Å; W236-L428 HydrophobicContact CD2-CD1 3.41Å; W236-L428 VanDerWaalsContact CD2-CD1 3.41Å; W236-L428 VanDerWaalsContact CE2-CD1 3.48Å; W236-L428 HydrophobicContact CE3-CD1 4.09Å; W236-L428 HydrophobicContact CG-CD1 3.39Å; W236-L428 HydrophobicContact CH2-CB 4.38Å; W236-L428 HydrophobicContact CZ2-CB 4.28Å; W236-L428 HydrophobicContact CZ2-CD1 4.21Å; W236-Y433 HydrophobicContact CB-CD2 4.13Å; W236-Y433 HydrophobicContact CB-CE2 4.22Å; W236-Y433 HydrophobicContact CG-CD2 4.49Å
237	K	95.6	Very high	95.1	Very high	88 Å²	88	26.4 Å²	26.4	38%	0.383	13%	0.132	S	C	.	.	S	Bend	trans	-116.7	-46.4	-177.6	-64.4	-177.1	-178.7	176.9	0	112	F240 D279 N422	K237-F240 CarbonylContact O-C 3.48Å; K237-F240 WeakPolarHBondContact O-CA 3.42Å; K237-F240 PolarHBondContact O-N 3.43Å; K237-D279 WeakPolarHBondContact CA-OD2 3.48Å; K237-D279 PolarHBondContact N-OD2 3.11Å; K237-N422 PolarHBondContact NZ-ND2 2.96Å; K237-N422 VanDerWaalsContact NZ-ND2 3.17Å
238	E	92.4	Very high	94.5	Very high	28 Å²	28	31 Å²	31	13%	0.131	16%	0.157	C	C	.	.	S	Bend	trans	-122.9	145.1	-164.7	-66.1	-170.1	108.1	0	0	114.8	K29 R32 R67 S235 F240 D279	K29-E238 WeakPolarHBondContact CE-OE2 3.28Å; K29-E238 IonicContact NZ-OE1 3.38Å; K29-E238 PolarHBondContact NZ-OE1 2.6Å; K29-E238 IonicContact NZ-OE2 3.87Å; K29-E238 PolarHBondContact NZ-OE2 3.29Å; R32-E238 IonicContact CZ-OE1 3.69Å; R32-E238 VanDerWaalsContact CZ-OE1 3.22Å; R32-E238 IonicContact NH1-OE1 2.75Å; R32-E238 PolarHBondContact NH1-OE1 2.92Å; R32-E238 VanDerWaalsContact NH2-CD 3.32Å; R32-E238 IonicContact NH2-OE1 3.92Å; R32-E238 PolarHBondContact NH2-OE1 2.93Å; R32-E238 IonicContact NH2-OE2 3.46Å; R67-E238 IonicContact NH1-OE1 3.75Å; R67-E238 PolarHBondContact NH1-OE1 2.78Å; R67-E238 VanDerWaalsContact NH1-OE1 3.15Å; S235-E238 WeakPolarHBondContact CB-O 3.33Å; E238-F240 VanDerWaalsContact C-N 3.26Å; E238-D279 HydrophobicContact CB-CB 4.37Å; E238-D279 PolarHBondContact N-OD2 3.49Å; E238-D279 WeakPolarHBondContact O-CB 3.48Å
239	P	86.6	Confident	93.7	Very high	7 Å²	7	32.4 Å²	32.4	5%	0.045	17%	0.171	C	C	.	.	S	Bend	cis	-68.7	-19.6	-2.8	27.7	-34.9	0	0	0	113.8	L64	L64-P239 HydrophobicContact CD1-CG 3.35Å; L64-P239 HydrophobicContact CG-CG 4.23Å
240	F	93.1	Very high	93.4	Very high	46 Å²	46	32.4 Å²	32.4	20%	0.202	17%	0.171	C	C	.	.	S	Bend	trans	-156.6	157.2	167.4	42.4	-95.9	0	0	0	109.7	K63 S235 K237 E238 W243 Y444	K63-F240 HydrophobicContact CB-CZ 4.45Å; K63-F240 WeakPolarHBondContact O-CE1 3.37Å; S235-F240 PolarHBondContact OG-O 3.01Å; K237-F240 CarbonylContact O-C 3.48Å; K237-F240 WeakPolarHBondContact O-CA 3.42Å; K237-F240 PolarHBondContact O-N 3.43Å; E238-F240 VanDerWaalsContact C-N 3.26Å; F240-W243 HydrophobicContact CD2-CB 3.91Å; F240-W243 HydrophobicContact CE2-CB 3.53Å; F240-W243 AromaticContact CE2-CD1 3.39Å; F240-W243 AromaticContact CE2-CG 3.78Å; F240-W243 HydrophobicContact CE2-CG 3.78Å; F240-W243 HydrophobicContact CZ-CB 4.18Å; F240-W243 AromaticContact CZ-CD1 3.35Å; F240-W243 AromaticContact CZ-CG 3.99Å; F240-W243 HydrophobicContact CZ-CG 3.99Å; F240-Y444 HydrophobicContact CD2-CE2 4.3Å; F240-Y444 AromaticContact CD2-CZ 3.99Å; F240-Y444 WeakPolarHBondContact CD2-OH 3.37Å; F240-Y444 AromaticContact CE2-CE1 3.89Å; F240-Y444 HydrophobicContact CE2-CE1 3.89Å; F240-Y444 AromaticContact CE2-CE2 3.75Å; F240-Y444 HydrophobicContact CE2-CE2 3.75Å; F240-Y444 AromaticContact CE2-CZ 3.33Å; F240-Y444 WeakPolarHBondContact CE2-OH 3.34Å; F240-Y444 HydrophobicContact CZ-CE1 4.35Å
241	P	96.8	Very high	93.2	Very high	67 Å²	67	32.2 Å²	32.2	44%	0.435	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	138.1	-176	-26	35.1	0	0	0	114.1	W236 W243 N436	W236-P241 WeakPolarHBondContact O-CA 3.46Å; W236-P241 WeakPolarHBondContact O-CB 3.39Å; P241-W243 VanDerWaalsContact C-N 3.32Å; P241-W243 PolarHBondContact O-N 3.45Å; P241-N436 HydrophobicContact CB-CB 4.32Å
242	G	96.6	Very high	93.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	10.2	174.4	0	0	0	0	0	115.1	S235 I244 N436 G440	S235-G242 PolarHBondContact O-N 2.75Å; S235-G242 PolarHBondContact OG-N 2.89Å; G242-I244 PolarHBondContact O-N 3.25Å; G242-N436 WeakPolarHBondContact CA-O 3.28Å; G242-G440 WeakPolarHBondContact O-CA 3.5Å
243	W	96.9	Very high	93.1	Very high	12 Å²	12	30.6 Å²	30.6	5%	0.045	17%	0.165	C	C	.	.			trans	-63.8	130.3	175	-175.4	80.1	0	0	0	111.2	F21 V25 L64 A234 S235 F240 P241 D245	F21-W243 AromaticContact CD2-CH2 3.99Å; F21-W243 HydrophobicContact CD2-CH2 3.99Å; F21-W243 AromaticContact CD2-CZ3 3.62Å; F21-W243 HydrophobicContact CD2-CZ3 3.62Å; F21-W243 AromaticContact CE2-CE3 3.85Å; F21-W243 HydrophobicContact CE2-CE3 3.85Å; F21-W243 HydrophobicContact CE2-CH2 4.07Å; F21-W243 AromaticContact CE2-CZ3 3.29Å; F21-W243 HydrophobicContact CE2-CZ3 3.29Å; F21-W243 HydrophobicContact CZ-CZ3 4.39Å; V25-W243 HydrophobicContact CG2-CE3 3.87Å; V25-W243 HydrophobicContact CG2-CH2 4Å; V25-W243 HydrophobicContact CG2-CZ3 3.23Å; L64-W243 HydrophobicContact CB-CH2 4.41Å; L64-W243 HydrophobicContact CB-CZ2 3.64Å; L64-W243 HydrophobicContact CD1-CD2 3.46Å; L64-W243 VanDerWaalsContact CD1-CD2 3.46Å; L64-W243 VanDerWaalsContact CD1-CE2 3.45Å; L64-W243 HydrophobicContact CD1-CE3 3.59Å; L64-W243 HydrophobicContact CD1-CG 4.16Å; L64-W243 HydrophobicContact CD1-CH2 3.73Å; L64-W243 HydrophobicContact CD1-CZ2 3.6Å; L64-W243 HydrophobicContact CD1-CZ3 3.71Å; L64-W243 HydrophobicContact CD2-CH2 3.77Å; L64-W243 HydrophobicContact CD2-CZ2 3.83Å; L64-W243 HydrophobicContact CD2-CZ3 4.38Å; L64-W243 HydrophobicContact CG-CH2 4.19Å; L64-W243 HydrophobicContact CG-CZ2 3.89Å; A234-W243 VanDerWaalsContact CA-O 3.28Å; A234-W243 WeakPolarHBondContact CA-O 3.42Å; A234-W243 WeakPolarHBondContact CB-O 3.49Å; S235-W243 PolarHBondContact N-O 3.04Å; S235-W243 WeakPolarHBondContact OG-CA 3.39Å; S235-W243 VanDerWaalsContact OG-CB 3.26Å; S235-W243 WeakPolarHBondContact OG-CB 3.39Å; S235-W243 PolarHBondContact OG-N 3.4Å; F240-W243 HydrophobicContact CD2-CB 3.91Å; F240-W243 HydrophobicContact CE2-CB 3.53Å; F240-W243 AromaticContact CE2-CD1 3.39Å; F240-W243 AromaticContact CE2-CG 3.78Å; F240-W243 HydrophobicContact CE2-CG 3.78Å; F240-W243 HydrophobicContact CZ-CB 4.18Å; F240-W243 AromaticContact CZ-CD1 3.35Å; F240-W243 AromaticContact CZ-CG 3.99Å; F240-W243 HydrophobicContact CZ-CG 3.99Å; P241-W243 VanDerWaalsContact C-N 3.32Å; P241-W243 PolarHBondContact O-N 3.45Å; W243-D245 HydrophobicContact CH2-CB 4.23Å; W243-D245 HydrophobicContact CZ2-CB 3.9Å
244	I	95.4	Very high	93.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.167	C	C	.	.			trans	-161	138.7	178.5	-178.8	65.2	0	0	0	108.1	F21 A234 G242 S251 Y437 T441 Y444 V445	F21-I244 HydrophobicContact CD2-CD1 4.2Å; F21-I244 HydrophobicContact CE1-CD1 3.95Å; F21-I244 HydrophobicContact CE2-CD1 3.48Å; F21-I244 VanDerWaalsContact CE2-CD1 3.48Å; F21-I244 HydrophobicContact CZ-CD1 3.34Å; A234-I244 HydrophobicContact CB-CB 4.01Å; A234-I244 HydrophobicContact CB-CG2 4.32Å; G242-I244 PolarHBondContact O-N 3.25Å; I244-S251 WeakPolarHBondContact CG1-OG 3.19Å; I244-Y437 HydrophobicContact CB-CE2 4.47Å; I244-Y437 HydrophobicContact CG1-CE2 4.26Å; I244-Y437 HydrophobicContact CG2-CD2 4.42Å; I244-Y437 HydrophobicContact CG2-CE2 4.28Å; I244-T441 HydrophobicContact CG2-CG2 4.2Å; I244-Y444 WeakPolarHBondContact O-CB 3.28Å; I244-V445 HydrophobicContact CG1-CG2 4.28Å; I244-V445 HydrophobicContact CG2-CG2 3.86Å; I244-V445 WeakPolarHBondContact O-CG2 3.33Å
245	D	92.3	Very high	93	Very high	54 Å²	54	31.7 Å²	31.7	29%	0.289	17%	0.17	S	C	.	.			trans	-121.7	8.5	-173.8	75.7	-19.5	0	0	0	114.1	F21 K24 W243	F21-D245 VanDerWaalsContact CD2-OD1 3.31Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.46Å; K24-D245 IonicContact NZ-OD2 2.9Å; K24-D245 PolarHBondContact NZ-OD2 3.06Å; W243-D245 HydrophobicContact CH2-CB 4.23Å; W243-D245 HydrophobicContact CZ2-CB 3.9Å
246	N	90.6	Very high	93	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.134	17%	0.174	C	C	.	.			trans	-141.2	160.7	-172	64.8	76.9	0	0	0	113.4	F21 N248 S251	F21-N246 VanDerWaalsContact CD2-ND2 3.33Å; F21-N246 WeakPolarHBondContact CD2-ND2 3.37Å; F21-N246 VanDerWaalsContact CG-ND2 3.26Å; F21-N246 WeakPolarHBondContact CG-ND2 3.44Å; N246-N248 VanDerWaalsContact C-N 3.35Å; N246-N248 WeakPolarHBondContact OD1-CB 3.49Å; N246-N248 PolarHBondContact OD1-N 3.34Å; N246-N248 VanDerWaalsContact OD1-N 3.11Å; N246-S251 VanDerWaalsContact O-CB 3.23Å; N246-S251 WeakPolarHBondContact O-CB 3.26Å
247	F	88.6	Confident	92.9	Very high	115 Å²	115	31.1 Å²	31.1	50%	0.504	17%	0.172	S	C	.	.			trans	-92.1	7.5	176.7	-68.5	-92.1	0	0	0	113	G252 I255 V445 L446	F247-G252 VanDerWaalsContact O-CA 3.31Å; F247-G252 WeakPolarHBondContact O-CA 3.49Å; F247-G252 PolarHBondContact O-N 2.98Å; F247-I255 HydrophobicContact CD1-CD1 3.7Å; F247-I255 HydrophobicContact CE1-CD1 3.63Å; F247-V445 HydrophobicContact CD1-CG1 3.72Å; F247-V445 HydrophobicContact CD2-CG1 3.73Å; F247-V445 HydrophobicContact CE1-CG1 3.45Å; F247-V445 VanDerWaalsContact CE1-CG1 3.45Å; F247-V445 HydrophobicContact CE2-CG1 3.45Å; F247-V445 VanDerWaalsContact CE2-CG1 3.45Å; F247-V445 HydrophobicContact CG-CG1 3.86Å; F247-V445 HydrophobicContact CZ-CG1 3.31Å; F247-L446 HydrophobicContact CE1-CD2 4.07Å; F247-L446 HydrophobicContact CZ-CD2 4.26Å
248	N	85.2	Confident	93	Very high	97 Å²	97	27 Å²	27	52%	0.519	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	148.8	-171.5	-61.5	-25.5	0	0	0	111	N246 S251	N246-N248 VanDerWaalsContact C-N 3.35Å; N246-N248 WeakPolarHBondContact OD1-CB 3.49Å; N246-N248 PolarHBondContact OD1-N 3.34Å; N246-N248 VanDerWaalsContact OD1-N 3.11Å; N248-S251 PolarHBondContact O-N 3.18Å
249	G	83.7	Confident	93.1	Very high	29 Å²	29	27.1 Å²	27.1	30%	0.299	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-128.2	173.7	0	0	0	0	0	113.6	S251	G249-S251 VanDerWaalsContact C-N 3.32Å; G249-S251 PolarHBondContact O-N 2.95Å
250	P	89.8	Confident	93.5	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.058	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-34.8	-177.4	-23.4	32.7	0	0	0	114.6	I231 G252 L253 F254 L275 Y437	I231-P250 HydrophobicContact CG2-CG 3.41Å; I231-P250 VanDerWaalsContact CG2-CG 3.41Å; P250-G252 VanDerWaalsContact C-N 3.34Å; P250-G252 PolarHBondContact O-N 3.28Å; P250-L253 PolarHBondContact O-N 3.45Å; P250-L253 VanDerWaalsContact O-N 3.12Å; P250-F254 HydrophobicContact CB-CE1 4.16Å; P250-F254 HydrophobicContact CB-CE2 4.29Å; P250-F254 HydrophobicContact CB-CZ 4Å; P250-F254 WeakPolarHBondContact O-CB 3.38Å; P250-F254 WeakPolarHBondContact O-CD1 3.49Å; P250-F254 VanDerWaalsContact O-CG 3.29Å; P250-F254 WeakPolarHBondContact O-CG 3.37Å; P250-F254 PolarHBondContact O-N 2.88Å; P250-L275 HydrophobicContact CB-CD2 4.43Å; P250-L275 HydrophobicContact CG-CD2 3.71Å; P250-Y437 HydrophobicContact CB-CE1 4.42Å
251	S	93.6	Very high	93.7	Very high	1 Å²	1	26 Å²	26	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-56.7	-46.9	-177	-55.2	0	0	0	0	112	I244 N246 N248 G249 F254 I255 Y437	I244-S251 WeakPolarHBondContact CG1-OG 3.19Å; N246-S251 VanDerWaalsContact O-CB 3.23Å; N246-S251 WeakPolarHBondContact O-CB 3.26Å; N248-S251 PolarHBondContact O-N 3.18Å; G249-S251 VanDerWaalsContact C-N 3.32Å; G249-S251 PolarHBondContact O-N 2.95Å; S251-F254 PolarHBondContact O-N 3.31Å; S251-I255 VanDerWaalsContact O-CG1 3.3Å; S251-I255 WeakPolarHBondContact O-CG1 3.36Å; S251-I255 PolarHBondContact O-N 3.02Å; S251-Y437 PolarHBondContact N-OH 2.85Å; S251-Y437 WeakPolarHBondContact OG-CE2 3.34Å; S251-Y437 PolarHBondContact OG-OH 3.36Å
252	G	93.9	Very high	93.7	Very high	21 Å²	21	23.1 Å²	23.1	22%	0.216	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-39	178.1	0	0	0	0	0	112.9	F247 P250 A256	F247-G252 VanDerWaalsContact O-CA 3.31Å; F247-G252 WeakPolarHBondContact O-CA 3.49Å; F247-G252 PolarHBondContact O-N 2.98Å; P250-G252 VanDerWaalsContact C-N 3.34Å; P250-G252 PolarHBondContact O-N 3.28Å; G252-A256 WeakPolarHBondContact O-CB 3.44Å; G252-A256 PolarHBondContact O-N 2.99Å
253	L	94.1	Very high	93.6	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.068	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-42	176.4	-69.9	-176.2	0	0	0	112.2	P250 A256 A257 L262 M265 L384 M388 L391	P250-L253 PolarHBondContact O-N 3.45Å; P250-L253 VanDerWaalsContact O-N 3.12Å; L253-A256 PolarHBondContact O-N 2.68Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.36Å; L253-L262 HydrophobicContact CB-CD2 4.43Å; L253-L262 HydrophobicContact CD2-CD2 4.13Å; L253-M265 HydrophobicContact CD1-CE 4.31Å; L253-M265 HydrophobicContact CD1-SD 3.67Å; L253-M265 HydrophobicContact CD2-SD 4.37Å; L253-L384 HydrophobicContact CD2-CD1 4.07Å; L253-M388 HydrophobicContact CD2-CG 4.28Å; L253-L391 HydrophobicContact CD1-CD1 3.39Å; L253-L391 HydrophobicContact CD2-CD1 4.46Å; L253-L391 HydrophobicContact CG-CD1 3.91Å
254	F	96.3	Very high	93.4	Very high	10 Å²	10	24.2 Å²	24.2	4%	0.044	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-46	177.6	-68.8	0.8	0	0	0	110.5	P250 S251 A256 A257 G258 V318 V322 F326 I434 Y437	P250-F254 HydrophobicContact CB-CE1 4.16Å; P250-F254 HydrophobicContact CB-CE2 4.29Å; P250-F254 HydrophobicContact CB-CZ 4Å; P250-F254 WeakPolarHBondContact O-CB 3.38Å; P250-F254 WeakPolarHBondContact O-CD1 3.49Å; P250-F254 VanDerWaalsContact O-CG 3.29Å; P250-F254 WeakPolarHBondContact O-CG 3.37Å; P250-F254 PolarHBondContact O-N 2.88Å; S251-F254 PolarHBondContact O-N 3.31Å; F254-A256 PolarHBondContact O-N 3.47Å; F254-A257 WeakPolarHBondContact O-CB 3.13Å; F254-A257 PolarHBondContact O-N 3.09Å; F254-G258 PolarHBondContact O-N 3.13Å; F254-V318 HydrophobicContact CE1-CG1 3.61Å; F254-V318 HydrophobicContact CZ-CG1 3.73Å; F254-V322 HydrophobicContact CB-CG1 4.3Å; F254-V322 HydrophobicContact CD1-CG1 4.14Å; F254-V322 HydrophobicContact CD1-CG2 3.72Å; F254-V322 HydrophobicContact CD2-CG2 4.09Å; F254-V322 HydrophobicContact CE1-CG2 3.62Å; F254-V322 HydrophobicContact CE2-CG2 3.98Å; F254-V322 HydrophobicContact CG-CG1 4.22Å; F254-V322 HydrophobicContact CG-CG2 3.97Å; F254-V322 HydrophobicContact CZ-CG2 3.75Å; F254-F326 HydrophobicContact CB-CE2 4.21Å; F254-F326 WeakPolarHBondContact O-CE2 3.47Å; F254-I434 HydrophobicContact CE2-CD1 4.3Å; F254-I434 HydrophobicContact CZ-CD1 4.36Å; F254-Y437 HydrophobicContact CD2-CD1 4.32Å; F254-Y437 HydrophobicContact CD2-CE1 4.32Å; F254-Y437 HydrophobicContact CD2-CG 4.41Å; F254-Y437 AromaticContact CE2-CD1 3.72Å; F254-Y437 HydrophobicContact CE2-CD1 3.72Å; F254-Y437 AromaticContact CE2-CE1 3.75Å; F254-Y437 HydrophobicContact CE2-CE1 3.75Å; F254-Y437 HydrophobicContact CE2-CG 4.21Å
255	I	96.6	Very high	93.3	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.067	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-46.5	174.3	-70.2	167.8	0	0	0	110.9	F247 S251 A257 G258 K259 L331 T441 V445 L446	F247-I255 HydrophobicContact CD1-CD1 3.7Å; F247-I255 HydrophobicContact CE1-CD1 3.63Å; S251-I255 VanDerWaalsContact O-CG1 3.3Å; S251-I255 WeakPolarHBondContact O-CG1 3.36Å; S251-I255 PolarHBondContact O-N 3.02Å; I255-A257 VanDerWaalsContact C-N 3.3Å; I255-A257 PolarHBondContact O-N 3.31Å; I255-G258 PolarHBondContact O-N 2.74Å; I255-K259 HydrophobicContact CG2-CG 4.3Å; I255-K259 WeakPolarHBondContact O-CB 3.08Å; I255-K259 WeakPolarHBondContact O-CG 3.39Å; I255-K259 PolarHBondContact O-N 3.36Å; I255-L331 HydrophobicContact CG2-CD1 4.43Å; I255-T441 HydrophobicContact CD1-CG2 4.46Å; I255-T441 HydrophobicContact CG1-CG2 4.32Å; I255-V445 HydrophobicContact CD1-CB 4.15Å; I255-V445 HydrophobicContact CD1-CG1 3.6Å; I255-L446 HydrophobicContact CD1-CD1 4.48Å; I255-L446 HydrophobicContact CD1-CD2 4.28Å; I255-L446 HydrophobicContact CD1-CG 4.15Å; I255-L446 HydrophobicContact CG1-CD1 4.21Å; I255-L446 HydrophobicContact CG1-CG 4.42Å; I255-L446 HydrophobicContact CG2-CD1 4.06Å; I255-L446 HydrophobicContact CG2-CD2 4.05Å; I255-L446 HydrophobicContact CG2-CG 4.45Å
256	A	96.3	Very high	93.3	Very high	12 Å²	12	25.9 Å²	25.9	10%	0.099	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-37.1	178.9	0	0	0	0	0	112.2	G252 L253 F254 G260 I261 L262 L384	G252-A256 WeakPolarHBondContact O-CB 3.44Å; G252-A256 PolarHBondContact O-N 2.99Å; L253-A256 PolarHBondContact O-N 2.68Å; F254-A256 PolarHBondContact O-N 3.47Å; A256-G260 PolarHBondContact O-N 3.44Å; A256-I261 PolarHBondContact O-N 2.89Å; A256-L262 HydrophobicContact CB-CB 3.86Å; A256-L262 PolarHBondContact O-N 3.41Å; A256-L384 HydrophobicContact CB-CD1 3.94Å
257	A	96.6	Very high	93.4	Very high	5 Å²	5	24.7 Å²	24.7	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-47.1	173.4	0	0	0	0	0	111.6	L253 F254 I255 K259 G260 L262 V322 I323 V340	L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.36Å; F254-A257 WeakPolarHBondContact O-CB 3.13Å; F254-A257 PolarHBondContact O-N 3.09Å; I255-A257 VanDerWaalsContact C-N 3.3Å; I255-A257 PolarHBondContact O-N 3.31Å; A257-K259 PolarHBondContact O-N 2.91Å; A257-G260 WeakPolarHBondContact O-CA 3.32Å; A257-G260 PolarHBondContact O-N 2.95Å; A257-L262 HydrophobicContact CB-CD2 4.37Å; A257-V322 HydrophobicContact CB-CG1 4.33Å; A257-I323 HydrophobicContact CB-CD1 4.17Å; A257-V340 HydrophobicContact CB-CG2 3.58Å
258	G	96.7	Very high	93.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-36	178.3	0	0	0	0	0	113.6	F254 I255 G260 F326 P338	F254-G258 PolarHBondContact O-N 3.13Å; I255-G258 PolarHBondContact O-N 2.74Å; G258-G260 PolarHBondContact O-N 3.21Å; G258-F326 VanDerWaalsContact CA-CD2 3.42Å; G258-P338 WeakPolarHBondContact O-CG 3.47Å
259	K	96.1	Very high	93.8	Very high	32 Å²	32	19.9 Å²	19.9	14%	0.139	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.6	172.4	-63	-77.9	-179.3	177.3	0	112.4	I255 A257 I261 L331 E332 F335 R336 E448	I255-K259 HydrophobicContact CG2-CG 4.3Å; I255-K259 WeakPolarHBondContact O-CB 3.08Å; I255-K259 WeakPolarHBondContact O-CG 3.39Å; I255-K259 PolarHBondContact O-N 3.36Å; A257-K259 PolarHBondContact O-N 2.91Å; K259-I261 HydrophobicContact CB-CD1 4.01Å; K259-I261 HydrophobicContact CB-CG1 3.97Å; K259-I261 PolarHBondContact O-N 3.41Å; K259-L331 HydrophobicContact CD-CB 4.04Å; K259-L331 HydrophobicContact CD-CD1 4.32Å; K259-L331 HydrophobicContact CG-CD1 4.01Å; K259-E332 WeakPolarHBondContact CD-O 3.31Å; K259-E332 PolarHBondContact NZ-O 3.39Å; K259-F335 WeakPolarHBondContact O-CB 3.33Å; K259-F335 PolarHBondContact O-N 2.97Å; K259-R336 PolarHBondContact O-N 2.86Å; K259-E448 IonicContact NZ-OE1 2.6Å; K259-E448 PolarHBondContact NZ-OE1 3.33Å
260	G	95.4	Very high	94.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	21.2	-176.9	0	0	0	0	0	114.2	A256 A257 G258 R336	A256-G260 PolarHBondContact O-N 3.44Å; A257-G260 WeakPolarHBondContact O-CA 3.32Å; A257-G260 PolarHBondContact O-N 2.95Å; G258-G260 PolarHBondContact O-N 3.21Å; G260-R336 WeakPolarHBondContact CA-O 3.19Å; G260-R336 PolarHBondContact O-NE 3.04Å; G260-R336 PolarHBondContact O-NH2 3.41Å
261	I	95.9	Very high	94.4	Very high	30 Å²	30	24.7 Å²	24.7	15%	0.154	13%	0.132	C	C	.	.			trans	-79.3	-50.2	175	-61	176.5	0	0	0	108.6	A256 K259 F335 R336 H357 M377 T380 I381 L384	A256-I261 PolarHBondContact O-N 2.89Å; K259-I261 HydrophobicContact CB-CD1 4.01Å; K259-I261 HydrophobicContact CB-CG1 3.97Å; K259-I261 PolarHBondContact O-N 3.41Å; I261-F335 HydrophobicContact CG1-CB 4.2Å; I261-R336 PolarHBondContact O-NH2 3.5Å; I261-H357 PolarHBondContact O-CD2 3.44Å; I261-H357 PolarHBondContact O-NE2 3.26Å; I261-M377 HydrophobicContact CG1-CE 4.37Å; I261-M377 HydrophobicContact CG2-CE 4.28Å; I261-T380 HydrophobicContact CD1-CG2 4.31Å; I261-T380 HydrophobicContact CG2-CG2 4.33Å; I261-I381 HydrophobicContact CG2-CD1 3.67Å; I261-L384 HydrophobicContact CG2-CD2 3.95Å
262	L	96	Very high	94.5	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.139	C	C	.	.			trans	-74.3	130.5	170.5	-176.4	65.5	0	0	0	109.6	L253 A256 A257 T264 V340 L384 M388	L253-L262 HydrophobicContact CB-CD2 4.43Å; L253-L262 HydrophobicContact CD2-CD2 4.13Å; A256-L262 HydrophobicContact CB-CB 3.86Å; A256-L262 PolarHBondContact O-N 3.41Å; A257-L262 HydrophobicContact CB-CD2 4.37Å; L262-T264 VanDerWaalsContact CD1-O 3.28Å; L262-T264 WeakPolarHBondContact CD1-O 3.06Å; L262-V340 HydrophobicContact CB-CG2 4.24Å; L262-V340 HydrophobicContact CD2-CG1 4.44Å; L262-V340 HydrophobicContact CD2-CG2 4.15Å; L262-V340 HydrophobicContact CG-CG1 4.37Å; L262-V340 HydrophobicContact CG-CG2 3.92Å; L262-V340 WeakPolarHBondContact O-CG2 3.41Å; L262-L384 HydrophobicContact CB-CD2 4.13Å; L262-L384 HydrophobicContact CD1-CD1 4.29Å; L262-L384 HydrophobicContact CD1-CD2 4.06Å; L262-L384 HydrophobicContact CD1-CG 4.43Å; L262-M388 HydrophobicContact CD1-CE 4.41Å; L262-M388 HydrophobicContact CD1-CG 4.37Å; L262-M388 HydrophobicContact CD1-SD 3.61Å
263	R	94.9	Very high	94.5	Very high	36 Å²	36	25.1 Å²	25.1	14%	0.136	13%	0.129	C	C	.	.			trans	-129.5	-28.5	-177.2	-57.9	-59	-62.8	179.4	0	112.9	R337 N339 V340 N341 H357	R263-R337 PolarHBondContact NH1-O 2.85Å; R263-N339 PolarHBondContact NE-O 3.27Å; R263-N339 PolarHBondContact NH1-O 2.82Å; R263-N339 VanDerWaalsContact NH1-O 3.15Å; R263-V340 CarbonylContact O-C 3.58Å; R263-V340 WeakPolarHBondContact O-CA 3.45Å; R263-N341 PolarHBondContact O-N 3.22Å; R263-H357 PolarHBondContact N-NE2 3.03Å
264	T	94.2	Very high	94.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	152.2	176.4	-170.4	0	0	0	0	110.2	L262 N341 Y349 W352 I353 H357 M388	L262-T264 VanDerWaalsContact CD1-O 3.28Å; L262-T264 WeakPolarHBondContact CD1-O 3.06Å; T264-N341 VanDerWaalsContact CA-O 3.25Å; T264-N341 WeakPolarHBondContact CA-O 3.32Å; T264-N341 PolarHBondContact OG1-O 3.37Å; T264-N341 VanDerWaalsContact OG1-O 3.06Å; T264-Y349 HydrophobicContact CG2-CD2 4.36Å; T264-W352 HydrophobicContact CG2-CB 3.57Å; T264-I353 HydrophobicContact CG2-CD1 3.81Å; T264-I353 HydrophobicContact CG2-CG1 4.22Å; T264-H357 PolarHBondContact O-CE1 2.81Å; T264-H357 VanDerWaalsContact O-CE1 3.32Å; T264-M388 VanDerWaalsContact O-CE 3.3Å; T264-M388 WeakPolarHBondContact O-CE 3.48Å
265	M	92.9	Very high	94.5	Very high	9 Å²	9	24 Å²	24	4%	0.044	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	146.9	173.9	-175.9	173.9	76.4	0	0	109.3	L253 A267 N341 L342 T343 M388 T395	L253-M265 HydrophobicContact CD1-CE 4.31Å; L253-M265 HydrophobicContact CD1-SD 3.67Å; L253-M265 HydrophobicContact CD2-SD 4.37Å; M265-A267 HydrophobicContact CE-CB 4.23Å; M265-A267 PolarHBondContact O-N 3.45Å; M265-N341 PolarHBondContact N-O 3.1Å; M265-L342 HydrophobicContact CB-CD2 3.86Å; M265-L342 HydrophobicContact CE-CD2 3.67Å; M265-T343 PolarHBondContact O-N 2.9Å; M265-T343 VanDerWaalsContact O-N 3.14Å; M265-M388 HydrophobicContact CB-CE 4.18Å; M265-M388 HydrophobicContact CG-CE 4.19Å; M265-M388 HydrophobicContact CG-CG 4.35Å; M265-M388 HydrophobicContact SD-CG 4.49Å; M265-T395 HydrophobicContact CE-CG2 3.76Å
266	R	91.9	Very high	94.6	Very high	80 Å²	80	23.4 Å²	23.4	30%	0.302	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	119	170.7	-144.6	-170.5	83.9	-156.8	9.7	108.9	T343 Y349 E392 T395	R266-T343 WeakPolarHBondContact CA-O 3.33Å; R266-T343 WeakPolarHBondContact CG-O 3.5Å; R266-Y349 HydrophobicContact CB-CD2 4.29Å; R266-Y349 HydrophobicContact CB-CE2 4.33Å; R266-E392 HydrophobicContact CB-CB 4.28Å; R266-E392 HydrophobicContact CB-CG 4Å; R266-E392 VanDerWaalsContact CB-OE1 3.3Å; R266-E392 WeakPolarHBondContact CB-OE1 3.18Å; R266-E392 WeakPolarHBondContact CD-OE1 3.3Å; R266-E392 IonicContact CZ-OE1 2.89Å; R266-E392 IonicContact NE-OE1 3.52Å; R266-E392 PolarHBondContact NE-OE1 3.45Å; R266-E392 IonicContact NH1-OE1 3.61Å; R266-E392 PolarHBondContact NH1-OE1 3.49Å; R266-E392 IonicContact NH1-OE2 2.94Å; R266-E392 IonicContact NH2-OE1 3.24Å; R266-T395 PolarHBondContact O-OG1 2.97Å
267	A	91.7	Very high	94.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	12%	0.116	C	C	.	.			trans	-161.4	156.5	178	0	0	0	0	0	109	M265 L342 T343 S344 T395	M265-A267 HydrophobicContact CE-CB 4.23Å; M265-A267 PolarHBondContact O-N 3.45Å; A267-L342 HydrophobicContact CB-CB 4.2Å; A267-L342 HydrophobicContact CB-CD1 4.04Å; A267-L342 HydrophobicContact CB-CD2 3.94Å; A267-L342 HydrophobicContact CB-CG 4.26Å; A267-T343 PolarHBondContact N-O 3.45Å; A267-T343 CarbonylContact O-C 3.27Å; A267-T343 VanDerWaalsContact O-C 3.27Å; A267-S344 PolarHBondContact O-N 3.4Å; A267-T395 WeakPolarHBondContact CA-O 3.43Å; A267-T395 WeakPolarHBondContact CB-O 3.35Å
268	S	92.5	Very high	94.7	Very high	37 Å²	37	22.6 Å²	22.6	26%	0.259	11%	0.114	S	C	.	.			trans	-94.5	124.2	166.6	175.9	0	0	0	0	108.8	N270 A271 T395	S268-N270 PolarHBondContact O-N 3.01Å; S268-N270 PolarHBondContact OG-N 3.1Å; S268-A271 WeakPolarHBondContact O-CB 3.37Å; S268-A271 PolarHBondContact O-N 2.94Å; S268-A271 PolarHBondContact OG-N 3.29Å; S268-T395 PolarHBondContact N-O 2.89Å
269	N	89.9	Confident	94.8	Very high	74 Å²	74	22.9 Å²	22.9	40%	0.396	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.1	176.5	-71.5	-18	0	0	0	112.8	H314 G316 L342	N269-H314 WeakPolarHBondContact O-CB 3.18Å; N269-G316 PolarHBondContact O-N 3.41Å; N269-L342 WeakPolarHBondContact OD1-CB 3.18Å
270	N	92.6	Very high	94.9	Very high	137 Å²	137	21.4 Å²	21.4	73%	0.733	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.5	179.2	-59.3	-13.8	0	0	0	112.3	S268 H314	S268-N270 PolarHBondContact O-N 3.01Å; S268-N270 PolarHBondContact OG-N 3.1Å; N270-H314 PolarHBondContact O-CD2 3.1Å
271	A	93.8	Very high	95	Very high	2 Å²	2	21.4 Å²	21.4	2%	0.017	11%	0.109	C	C	.	.	S	Bend	trans	-76	140.1	172.3	0	0	0	0	0	110.1	S268 H314 W315 S398	S268-A271 WeakPolarHBondContact O-CB 3.37Å; S268-A271 PolarHBondContact O-N 2.94Å; S268-A271 PolarHBondContact OG-N 3.29Å; A271-H314 WeakPolarHBondContact O-CA 3.23Å; A271-W315 VanDerWaalsContact O-CD1 3.29Å; A271-W315 PolarHBondContact O-N 3.1Å; A271-W315 VanDerWaalsContact O-N 3.08Å; A271-S398 WeakPolarHBondContact CA-OG 3.22Å; A271-S398 WeakPolarHBondContact CB-OG 3.49Å
272	L	95.3	Very high	95.2	Very high	30 Å²	30	20 Å²	20	16%	0.157	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-65	129.9	173.7	-66.2	175	0	0	0	110.7	D274 P312 F313 W315 S398	L272-D274 PolarHBondContact O-N 3.19Å; L272-P312 HydrophobicContact CD2-CB 3.88Å; L272-F313 CarbonylContact C-O 3.47Å; L272-F313 WeakPolarHBondContact CA-O 3.43Å; L272-W315 PolarHBondContact O-NE1 3.32Å; L272-S398 PolarHBondContact N-OG 2.91Å
273	A	94.8	Very high	95.3	Very high	1 Å²	1	20 Å²	20	1%	0.008	10%	0.101	C	C	.	.			trans	-93.8	83.8	169.7	0	0	0	0	0	108.7	L275 F313 W315 V318	A273-L275 PolarHBondContact O-N 3.27Å; A273-F313 HydrophobicContact CB-CD1 4.28Å; A273-F313 PolarHBondContact N-O 3.14Å; A273-W315 HydrophobicContact CB-CD2 3.6Å; A273-W315 HydrophobicContact CB-CE3 3.94Å; A273-W315 HydrophobicContact CB-CG 4.01Å; A273-W315 HydrophobicContact CB-CH2 4.22Å; A273-W315 HydrophobicContact CB-CZ2 3.91Å; A273-W315 HydrophobicContact CB-CZ3 4.23Å; A273-V318 HydrophobicContact CB-CG2 3.59Å
274	D	94.8	Very high	95.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.			trans	-69.4	69.2	178.7	-88.8	-63.4	0	0	0	112.4	Y155 S230 I231 L272 G308 W401	Y155-D274 WeakPolarHBondContact OH-CB 3.48Å; S230-D274 WeakPolarHBondContact CB-O 3.38Å; S230-D274 PolarHBondContact OG-O 3.08Å; I231-D274 WeakPolarHBondContact CB-O 3.16Å; I231-D274 PolarHBondContact N-O 3Å; L272-D274 PolarHBondContact O-N 3.19Å; D274-G308 WeakPolarHBondContact OD1-CA 3.35Å; D274-G308 PolarHBondContact OD1-N 2.95Å; D274-W401 PolarHBondContact OD1-NE1 3.35Å; D274-W401 PolarHBondContact OD2-NE1 2.95Å
275	L	95.9	Very high	95.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.4	174.9	-61.3	175.9	0	0	0	109.3	I231 P250 A273 T307 F313 W315 V318 W430 I434	I231-L275 HydrophobicContact CB-CD2 3.94Å; I231-L275 HydrophobicContact CG2-CD2 3.67Å; I231-L275 CarbonylContact O-C 3.59Å; I231-L275 WeakPolarHBondContact O-CA 3.42Å; P250-L275 HydrophobicContact CB-CD2 4.43Å; P250-L275 HydrophobicContact CG-CD2 3.71Å; A273-L275 PolarHBondContact O-N 3.27Å; L275-T307 WeakPolarHBondContact O-CG2 3.13Å; L275-T307 PolarHBondContact O-OG1 3.24Å; L275-F313 HydrophobicContact CD1-CD1 4.4Å; L275-F313 HydrophobicContact CD1-CE1 4.35Å; L275-W315 HydrophobicContact CD2-CH2 4.49Å; L275-V318 HydrophobicContact CD1-CG2 4.42Å; L275-W430 HydrophobicContact CB-CH2 4.32Å; L275-W430 HydrophobicContact CB-CZ3 4.15Å; L275-W430 WeakPolarHBondContact O-CH2 2.97Å; L275-I434 HydrophobicContact CD1-CD1 4.12Å
276	V	97.6	Very high	96	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.7	173.7	65.2	0	0	0	0	109.9	P229 S230 I231 V232 G233 V280 V281 T307	P229-V276 HydrophobicContact CB-CG1 4.25Å; S230-V276 WeakPolarHBondContact OG-CG1 3.48Å; I231-V276 PolarHBondContact O-N 3.45Å; V232-V276 CarbonylContact C-O 3.51Å; V232-V276 VanDerWaalsContact CA-O 3.31Å; V232-V276 WeakPolarHBondContact CA-O 3.17Å; V232-V276 HydrophobicContact CG2-CG1 4.22Å; G233-V276 PolarHBondContact N-O 3.5Å; V276-V280 HydrophobicContact CG2-CB 4.22Å; V276-V280 HydrophobicContact CG2-CG1 4.04Å; V276-V281 HydrophobicContact CB-CG2 4.36Å; V276-V281 HydrophobicContact CG1-CG2 3.6Å; V276-V281 HydrophobicContact CG2-CG2 3.84Å; V276-T307 HydrophobicContact CB-CG2 4.43Å
277	P	98.1	Very high	96.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	141.6	175.8	-22.8	33.7	0	0	0	112.3	A234 W236 D279 V280 V281 L428 Y433	A234-P277 WeakPolarHBondContact O-CA 3.44Å; W236-P277 HydrophobicContact CB-CB 3.65Å; W236-P277 HydrophobicContact CB-CG 3.75Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 WeakPolarHBondContact CB-OD1 3.29Å; P277-D279 PolarHBondContact O-N 3.38Å; P277-V280 HydrophobicContact CB-CB 4.43Å; P277-V280 HydrophobicContact CB-CG2 4.04Å; P277-V280 HydrophobicContact CG-CG2 4.11Å; P277-V280 WeakPolarHBondContact O-CB 3.45Å; P277-V280 PolarHBondContact O-N 3.32Å; P277-V280 VanDerWaalsContact O-N 3.14Å; P277-V281 PolarHBondContact O-N 3.14Å; P277-L428 HydrophobicContact CG-CD1 4.38Å; P277-L428 HydrophobicContact CG-CD2 4.15Å; P277-Y433 HydrophobicContact CB-CE2 4.04Å; P277-Y433 HydrophobicContact CG-CD2 4.41Å; P277-Y433 HydrophobicContact CG-CE2 3.77Å
278	V	98	Very high	96.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.1	-35.2	-177.2	65.3	0	0	0	0	113.2	F21 L22 V25 V232 G233 V281 V282	F21-V278 HydrophobicContact CD1-CG2 4.28Å; F21-V278 HydrophobicContact CE1-CB 3.83Å; F21-V278 HydrophobicContact CE1-CG1 4.41Å; F21-V278 HydrophobicContact CE1-CG2 3.81Å; F21-V278 HydrophobicContact CE2-CG1 4.34Å; F21-V278 HydrophobicContact CE2-CG2 4.45Å; F21-V278 HydrophobicContact CZ-CB 3.7Å; F21-V278 HydrophobicContact CZ-CG1 3.77Å; F21-V278 HydrophobicContact CZ-CG2 3.89Å; L22-V278 HydrophobicContact CD1-CG2 3.77Å; V25-V278 HydrophobicContact CB-CG2 4.1Å; V25-V278 HydrophobicContact CG1-CG1 4.4Å; V25-V278 HydrophobicContact CG1-CG2 4.36Å; V25-V278 HydrophobicContact CG2-CG1 4.08Å; V25-V278 HydrophobicContact CG2-CG2 3.84Å; V232-V278 HydrophobicContact CG1-CB 3.65Å; V232-V278 HydrophobicContact CG1-CG2 3.91Å; G233-V278 PolarHBondContact O-N 3.19Å; V278-V281 PolarHBondContact O-N 3.19Å; V278-V282 WeakPolarHBondContact O-CG2 3.44Å; V278-V282 PolarHBondContact O-N 2.92Å
279	D	98.1	Very high	97	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.027	7%	0.066	C	C	.	.	H	α-helix	trans	-69.3	-33.3	178.1	55.3	-32.8	0	0	0	112.8	S235 W236 K237 E238 P277 V282 N283	S235-D279 WeakPolarHBondContact CA-OD1 3.31Å; W236-D279 PolarHBondContact N-OD1 3.32Å; W236-D279 PolarHBondContact N-OD2 3.12Å; K237-D279 WeakPolarHBondContact CA-OD2 3.48Å; K237-D279 PolarHBondContact N-OD2 3.11Å; E238-D279 HydrophobicContact CB-CB 4.37Å; E238-D279 PolarHBondContact N-OD2 3.49Å; E238-D279 WeakPolarHBondContact O-CB 3.48Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 WeakPolarHBondContact CB-OD1 3.29Å; P277-D279 PolarHBondContact O-N 3.38Å; D279-V282 PolarHBondContact O-N 3.42Å; D279-N283 VanDerWaalsContact O-CB 3.29Å; D279-N283 WeakPolarHBondContact O-CB 3.47Å; D279-N283 PolarHBondContact O-N 3.01Å; D279-N283 PolarHBondContact O-ND2 3.11Å; D279-N283 PolarHBondContact O-OD1 3.37Å
280	V	98.5	Very high	97.4	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.012	5%	0.047	C	C	.	.	H	α-helix	trans	-65.2	-41.6	171.7	173	0	0	0	0	111	W236 V276 P277 N283 T284 V425	W236-V280 HydrophobicContact CE3-CG2 4.14Å; V276-V280 HydrophobicContact CG2-CB 4.22Å; V276-V280 HydrophobicContact CG2-CG1 4.04Å; P277-V280 HydrophobicContact CB-CB 4.43Å; P277-V280 HydrophobicContact CB-CG2 4.04Å; P277-V280 HydrophobicContact CG-CG2 4.11Å; P277-V280 WeakPolarHBondContact O-CB 3.45Å; P277-V280 PolarHBondContact O-N 3.32Å; P277-V280 VanDerWaalsContact O-N 3.14Å; V280-N283 PolarHBondContact O-N 3.36Å; V280-T284 WeakPolarHBondContact O-CB 3.45Å; V280-T284 PolarHBondContact O-N 3.45Å; V280-T284 PolarHBondContact O-OG1 2.96Å; V280-V425 HydrophobicContact CG1-CG1 3.72Å; V280-V425 HydrophobicContact CG2-CG1 4.26Å
281	V	98.6	Very high	97.7	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-63	-47.1	176.9	-178.1	0	0	0	0	110.5	L22 V227 P229 V232 V276 P277 V278 T284 S285	L22-V281 HydrophobicContact CD1-CB 3.97Å; L22-V281 HydrophobicContact CD1-CG1 3.71Å; L22-V281 HydrophobicContact CD2-CG1 4.12Å; V227-V281 HydrophobicContact CG1-CG1 4.5Å; P229-V281 HydrophobicContact CB-CB 4.49Å; P229-V281 HydrophobicContact CB-CG1 3.82Å; P229-V281 HydrophobicContact CB-CG2 3.77Å; P229-V281 HydrophobicContact CG-CG1 4.18Å; V232-V281 HydrophobicContact CG1-CG2 4.39Å; V232-V281 HydrophobicContact CG2-CG2 4.26Å; V276-V281 HydrophobicContact CB-CG2 4.36Å; V276-V281 HydrophobicContact CG1-CG2 3.6Å; V276-V281 HydrophobicContact CG2-CG2 3.84Å; P277-V281 PolarHBondContact O-N 3.14Å; V278-V281 PolarHBondContact O-N 3.19Å; V281-T284 WeakPolarHBondContact O-CB 3.37Å; V281-T284 PolarHBondContact O-N 3.49Å; V281-S285 PolarHBondContact O-N 3.07Å; V281-S285 PolarHBondContact O-OG 3.43Å
282	V	98.7	Very high	97.9	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-61.6	-46.3	178.1	167.3	0	0	0	0	111.8	L22 V25 L26 K29 V278 D279 T284 S285 L286	L22-V282 HydrophobicContact CD1-CG2 3.62Å; L22-V282 HydrophobicContact CG-CG2 4.49Å; V25-V282 HydrophobicContact CB-CG2 3.9Å; V25-V282 HydrophobicContact CG1-CB 4.35Å; V25-V282 HydrophobicContact CG1-CG2 3.78Å; L26-V282 HydrophobicContact CB-CG1 4.21Å; L26-V282 HydrophobicContact CB-CG2 4.03Å; L26-V282 HydrophobicContact CG-CG1 4.41Å; K29-V282 HydrophobicContact CB-CG1 3.63Å; K29-V282 HydrophobicContact CG-CG1 3.79Å; V278-V282 WeakPolarHBondContact O-CG2 3.44Å; V278-V282 PolarHBondContact O-N 2.92Å; D279-V282 PolarHBondContact O-N 3.42Å; V282-T284 VanDerWaalsContact C-N 3.26Å; V282-T284 PolarHBondContact O-N 2.98Å; V282-S285 PolarHBondContact O-N 3.46Å; V282-S285 VanDerWaalsContact O-N 3.16Å; V282-L286 HydrophobicContact CG1-CD1 4.02Å; V282-L286 HydrophobicContact CG1-CG 4.48Å; V282-L286 WeakPolarHBondContact O-CG 3.4Å; V282-L286 PolarHBondContact O-N 3.3Å
283	N	98.8	Very high	98	Very high	4 Å²	4	2.5 Å²	2.5	2%	0.021	1%	0.013	C	C	.	.	H	α-helix	trans	-60.5	-39.9	177.1	-71.8	-13	0	0	0	111.1	K29 D279 V280 L286 A287 F421 N422 I423	K29-N283 WeakPolarHBondContact CE-OD1 3.43Å; D279-N283 VanDerWaalsContact O-CB 3.29Å; D279-N283 WeakPolarHBondContact O-CB 3.47Å; D279-N283 PolarHBondContact O-N 3.01Å; D279-N283 PolarHBondContact O-ND2 3.11Å; D279-N283 PolarHBondContact O-OD1 3.37Å; V280-N283 PolarHBondContact O-N 3.36Å; N283-L286 PolarHBondContact O-N 3.24Å; N283-A287 VanDerWaalsContact O-CB 3.23Å; N283-A287 WeakPolarHBondContact O-CB 3.19Å; N283-A287 PolarHBondContact O-N 2.99Å; N283-F421 HydrophobicContact CB-CB 4.22Å; N283-N422 PolarHBondContact ND2-N 3.26Å; N283-N422 PolarHBondContact ND2-O 2.98Å; N283-I423 HydrophobicContact CB-CG2 3.5Å; N283-I423 VanDerWaalsContact CB-CG2 3.5Å
284	T	98.8	Very high	98.1	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.006	3%	0.031	C	C	.	.	H	α-helix	trans	-64.7	-42.5	175.9	-56.8	0	0	0	0	111	V227 V280 V281 V282 A288 C305 L409 I423	V227-T284 HydrophobicContact CG1-CG2 4.22Å; V227-T284 HydrophobicContact CG2-CG2 4.32Å; V280-T284 WeakPolarHBondContact O-CB 3.45Å; V280-T284 PolarHBondContact O-N 3.45Å; V280-T284 PolarHBondContact O-OG1 2.96Å; V281-T284 WeakPolarHBondContact O-CB 3.37Å; V281-T284 PolarHBondContact O-N 3.49Å; V282-T284 VanDerWaalsContact C-N 3.26Å; V282-T284 PolarHBondContact O-N 2.98Å; T284-A288 WeakPolarHBondContact O-CB 3.3Å; T284-A288 PolarHBondContact O-N 3.03Å; T284-C305 HydrophobicContact CG2-CB 4.33Å; T284-C305 PolarHBondContact OG1-SG 3.42Å; T284-L409 HydrophobicContact CG2-CD2 4.42Å; T284-I423 VanDerWaalsContact N-CG2 3.34Å; T284-I423 VanDerWaalsContact OG1-CG2 3.29Å; T284-I423 WeakPolarHBondContact OG1-CG2 3.07Å
285	S	98.8	Very high	98.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.8	-43.9	176.9	-62.7	0	0	0	0	112.9	V281 V282 A289	V281-S285 PolarHBondContact O-N 3.07Å; V281-S285 PolarHBondContact O-OG 3.43Å; V282-S285 PolarHBondContact O-N 3.46Å; V282-S285 VanDerWaalsContact O-N 3.16Å; S285-A289 WeakPolarHBondContact O-CB 3.28Å; S285-A289 PolarHBondContact O-N 3.07Å
286	L	98.8	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.5	-45.5	177.5	-68.3	173.3	0	0	0	111.4	Y8 K29 L30 F109 V282 N283 A289 W290 F421	Y8-L286 HydrophobicContact CE2-CD2 4.3Å; Y8-L286 PolarHBondContact OH-O 3.21Å; K29-L286 HydrophobicContact CB-CD1 4.29Å; K29-L286 HydrophobicContact CG-CD1 3.7Å; L30-L286 HydrophobicContact CB-CD2 4.32Å; L30-L286 HydrophobicContact CD1-CD2 3.94Å; F109-L286 HydrophobicContact CE1-CD2 4.43Å; F109-L286 HydrophobicContact CE2-CD2 4.28Å; F109-L286 HydrophobicContact CZ-CD2 3.78Å; V282-L286 HydrophobicContact CG1-CD1 4.02Å; V282-L286 HydrophobicContact CG1-CG 4.48Å; V282-L286 WeakPolarHBondContact O-CG 3.4Å; V282-L286 PolarHBondContact O-N 3.3Å; N283-L286 PolarHBondContact O-N 3.24Å; L286-A289 PolarHBondContact O-N 2.98Å; L286-W290 WeakPolarHBondContact O-CB 3.46Å; L286-W290 PolarHBondContact O-N 2.87Å; L286-F421 HydrophobicContact CB-CD1 4.32Å; L286-F421 HydrophobicContact CB-CE1 4.41Å; L286-F421 HydrophobicContact CD1-CD1 4.1Å; L286-F421 HydrophobicContact CD1-CE1 3.77Å
287	A	98.8	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-41.7	176.1	0	0	0	0	0	112	I4 N283 A289 W290 Y291 L409 L413	I4-A287 HydrophobicContact CD1-CB 3.85Å; N283-A287 VanDerWaalsContact O-CB 3.23Å; N283-A287 WeakPolarHBondContact O-CB 3.19Å; N283-A287 PolarHBondContact O-N 2.99Å; A287-A289 PolarHBondContact O-N 2.78Å; A287-W290 WeakPolarHBondContact O-CB 3.46Å; A287-W290 PolarHBondContact O-N 2.88Å; A287-Y291 WeakPolarHBondContact O-CB 3.35Å; A287-Y291 PolarHBondContact O-N 3.46Å; A287-L409 HydrophobicContact CB-CD1 4.18Å; A287-L409 HydrophobicContact CB-CD2 3.91Å; A287-L409 HydrophobicContact CB-CG 4.14Å; A287-L413 HydrophobicContact CB-CD2 4.22Å
288	A	98.8	Very high	97.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-42.3	178.2	0	0	0	0	0	111.7	M149 V227 T284 Y291 S292 Y303 L409	M149-A288 HydrophobicContact SD-CB 3.95Å; V227-A288 HydrophobicContact CG2-CB 4.16Å; T284-A288 WeakPolarHBondContact O-CB 3.3Å; T284-A288 PolarHBondContact O-N 3.03Å; A288-Y291 PolarHBondContact O-N 3.01Å; A288-S292 WeakPolarHBondContact O-CB 3.26Å; A288-S292 PolarHBondContact O-N 3.38Å; A288-S292 PolarHBondContact O-OG 2.91Å; A288-Y303 HydrophobicContact CB-CD2 3.74Å; A288-Y303 HydrophobicContact CB-CE2 3.49Å; A288-Y303 VanDerWaalsContact CB-CE2 3.49Å; A288-Y303 HydrophobicContact CB-CG 4.45Å; A288-L409 HydrophobicContact CB-CD2 4.15Å
289	A	98.7	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-40.9	176.4	0	0	0	0	0	112.2	Y7 Y8 V107 F109 V147 S285 L286 A287 G293	Y7-A289 PolarHBondContact OH-O 2.91Å; Y8-A289 VanDerWaalsContact OH-CB 3.26Å; Y8-A289 WeakPolarHBondContact OH-CB 3.29Å; V107-A289 HydrophobicContact CG1-CB 4.31Å; F109-A289 HydrophobicContact CE1-CB 3.84Å; F109-A289 HydrophobicContact CZ-CB 3.67Å; V147-A289 HydrophobicContact CG1-CB 4.22Å; V147-A289 WeakPolarHBondContact CG2-O 3.48Å; S285-A289 WeakPolarHBondContact O-CB 3.28Å; S285-A289 PolarHBondContact O-N 3.07Å; L286-A289 PolarHBondContact O-N 2.98Å; A287-A289 PolarHBondContact O-N 2.78Å; A289-G293 PolarHBondContact O-N 2.99Å
290	W	98.7	Very high	97.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-55.3	-53.6	169.3	161.7	81.1	0	0	0	111.9	V2 I4 Y7 L286 A287 S292 G293 V294 Q412 L413	V2-W290 WeakPolarHBondContact O-CZ2 3.47Å; V2-W290 PolarHBondContact O-NE1 3.31Å; I4-W290 HydrophobicContact CB-CG 4.43Å; I4-W290 HydrophobicContact CG1-CB 3.98Å; I4-W290 HydrophobicContact CG1-CD2 3.8Å; I4-W290 HydrophobicContact CG1-CE3 4.19Å; I4-W290 HydrophobicContact CG1-CG 3.68Å; Y7-W290 VanDerWaalsContact CB-CD1 3.41Å; Y7-W290 HydrophobicContact CD1-CB 4.08Å; Y7-W290 HydrophobicContact CE1-CB 4.47Å; Y7-W290 HydrophobicContact CG-CB 4.44Å; Y7-W290 AromaticContact CG-CD1 3.7Å; Y7-W290 HydrophobicContact CG-CG 4.46Å; L286-W290 WeakPolarHBondContact O-CB 3.46Å; L286-W290 PolarHBondContact O-N 2.87Å; A287-W290 WeakPolarHBondContact O-CB 3.46Å; A287-W290 PolarHBondContact O-N 2.88Å; W290-S292 PolarHBondContact O-N 3.47Å; W290-G293 PolarHBondContact O-N 2.92Å; W290-V294 WeakPolarHBondContact O-CG2 3.25Å; W290-V294 PolarHBondContact O-N 3.32Å; W290-Q412 HydrophobicContact CH2-CB 4.09Å; W290-Q412 HydrophobicContact CZ3-CB 4.06Å; W290-L413 HydrophobicContact CE3-CD2 4.13Å; W290-L413 HydrophobicContact CH2-CD2 4.43Å; W290-L413 HydrophobicContact CZ3-CD2 3.8Å
291	Y	98.5	Very high	97.2	Very high	31 Å²	31	39.3 Å²	39.3	12%	0.122	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-46.1	-177.2	177.7	-93.9	0	0	0	111.4	A287 A288 G293 N295 M301 Y303 M408 L409 Q412	A287-Y291 WeakPolarHBondContact O-CB 3.35Å; A287-Y291 PolarHBondContact O-N 3.46Å; A288-Y291 PolarHBondContact O-N 3.01Å; Y291-G293 PolarHBondContact O-N 2.8Å; Y291-N295 WeakPolarHBondContact CD2-ND2 3.35Å; Y291-N295 HydrophobicContact CE1-CB 4.43Å; Y291-N295 HydrophobicContact CE2-CB 4.27Å; Y291-N295 VanDerWaalsContact CE2-ND2 3.29Å; Y291-N295 WeakPolarHBondContact CE2-ND2 3.1Å; Y291-N295 VanDerWaalsContact O-CB 3.3Å; Y291-N295 WeakPolarHBondContact O-CB 3.4Å; Y291-N295 PolarHBondContact O-N 3.34Å; Y291-N295 PolarHBondContact O-ND2 3.26Å; Y291-M301 HydrophobicContact CE1-CE 4.43Å; Y291-Y303 WeakPolarHBondContact CD1-OH 3.06Å; Y291-M408 HydrophobicContact CD1-CE 4.12Å; Y291-M408 HydrophobicContact CE1-CE 3.59Å; Y291-M408 HydrophobicContact CE1-SD 4.31Å; Y291-M408 HydrophobicContact CE2-CE 4.05Å; Y291-M408 PolarHBondContact OH-SD 3.25Å; Y291-L409 HydrophobicContact CD2-CD1 4.35Å; Y291-L409 HydrophobicContact CG-CD1 3.97Å; Y291-Q412 HydrophobicContact CD2-CB 4.28Å; Y291-Q412 HydrophobicContact CD2-CG 4.04Å; Y291-Q412 HydrophobicContact CE2-CB 4.47Å; Y291-Q412 HydrophobicContact CE2-CG 3.75Å
292	S	98.1	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-40.9	177.7	-71.2	0	0	0	0	112	N223 A288 W290 R296	N223-S292 PolarHBondContact ND2-O 2.92Å; A288-S292 WeakPolarHBondContact O-CB 3.26Å; A288-S292 PolarHBondContact O-N 3.38Å; A288-S292 PolarHBondContact O-OG 2.91Å; W290-S292 PolarHBondContact O-N 3.47Å; S292-R296 VanDerWaalsContact O-CA 3.25Å; S292-R296 WeakPolarHBondContact O-CA 3.19Å; S292-R296 PolarHBondContact O-N 3.48Å
293	G	97.7	Very high	97.2	Very high	7 Å²	7	39.4 Å²	39.4	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-68.2	-40.9	-179.5	0	0	0	0	0	113.3	Y7 V147 A289 W290 Y291	Y7-G293 WeakPolarHBondContact OH-CA 3.16Å; V147-G293 VanDerWaalsContact CG2-CA 3.44Å; V147-G293 VanDerWaalsContact CG2-N 3.32Å; A289-G293 PolarHBondContact O-N 2.99Å; W290-G293 PolarHBondContact O-N 2.92Å; Y291-G293 PolarHBondContact O-N 2.8Å
294	V	97.4	Very high	97.1	Very high	63 Å²	63	39.2 Å²	39.2	38%	0.382	18%	0.181	S	C	.	.	H	α-helix	trans	-73.6	-46.2	178.9	174.5	0	0	0	0	111.8	Y7 W290	Y7-V294 HydrophobicContact CD2-CG2 3.67Å; Y7-V294 HydrophobicContact CE2-CG2 4.19Å; Y7-V294 HydrophobicContact CG-CG2 4.45Å; W290-V294 WeakPolarHBondContact O-CG2 3.25Å; W290-V294 PolarHBondContact O-N 3.32Å
295	N	96.4	Very high	97.1	Very high	73 Å²	73	39.4 Å²	39.4	39%	0.39	18%	0.182	S	C	.	.	H	α-helix	trans	-95.9	-18	-169.6	-61.6	-81	0	0	0	113.9	Y291	Y291-N295 WeakPolarHBondContact CD2-ND2 3.35Å; Y291-N295 HydrophobicContact CE1-CB 4.43Å; Y291-N295 HydrophobicContact CE2-CB 4.27Å; Y291-N295 VanDerWaalsContact CE2-ND2 3.29Å; Y291-N295 WeakPolarHBondContact CE2-ND2 3.1Å; Y291-N295 VanDerWaalsContact O-CB 3.3Å; Y291-N295 WeakPolarHBondContact O-CB 3.4Å; Y291-N295 PolarHBondContact O-N 3.34Å; Y291-N295 PolarHBondContact O-ND2 3.26Å
296	R	95.4	Very high	97.1	Very high	165 Å²	165	39.8 Å²	39.8	62%	0.623	18%	0.184	S	C	*	.			trans	43.4	62.3	-179	-64.3	-170.4	171.4	-152.8	-3	112.9	S292	S292-R296 VanDerWaalsContact O-CA 3.25Å; S292-R296 WeakPolarHBondContact O-CA 3.19Å; S292-R296 PolarHBondContact O-N 3.48Å
297	P	94.6	Very high	96.9	Very high	30 Å²	30	39.8 Å²	39.8	20%	0.195	18%	0.184	C	C	.	.			trans	-57.2	141.7	-178.6	25.6	-33.9	0	0	0	111	N299 M301	P297-N299 VanDerWaalsContact C-N 3.3Å; P297-N299 PolarHBondContact O-N 3.09Å; P297-M301 HydrophobicContact CB-CG 3.85Å; P297-M301 HydrophobicContact CB-SD 4.09Å; P297-M301 HydrophobicContact CG-CG 3.52Å; P297-M301 HydrophobicContact CG-SD 4.42Å
298	R	90	Very high	96.5	Very high	250 Å²	250	40 Å²	40	94%	0.943	19%	0.186	S	C	*	.	S	Bend	trans	-66.3	-33.3	-178.6	-69.3	-176	180	175.5	0.2	113.1
299	N	91.5	Very high	96	Very high	134 Å²	134	42.5 Å²	42.5	72%	0.717	20%	0.204	S	C	*	.	S	Bend	trans	-107.2	153.1	179.5	-64.2	-33.6	0	0	0	109.5	P297 M301	P297-N299 VanDerWaalsContact C-N 3.3Å; P297-N299 PolarHBondContact O-N 3.09Å; N299-M301 PolarHBondContact O-N 3.13Å
300	I	95.4	Very high	95.7	Very high	43 Å²	43	44.6 Å²	44.6	22%	0.221	22%	0.217	C	C	.	.			trans	-60.4	123.9	174.1	-61.2	-177.1	0	0	0	109.2	Q216 V224 I226 V302	Q216-I300 HydrophobicContact CB-CD1 4.01Å; Q216-I300 HydrophobicContact CG-CD1 4.07Å; V224-I300 HydrophobicContact CB-CD1 4.2Å; V224-I300 HydrophobicContact CB-CG1 4.18Å; V224-I300 HydrophobicContact CB-CG2 4.44Å; V224-I300 HydrophobicContact CG1-CD1 4.48Å; V224-I300 HydrophobicContact CG1-CG2 4.31Å; I226-I300 HydrophobicContact CD1-CG2 4.06Å; I226-I300 HydrophobicContact CG1-CG2 4.07Å; I300-V302 HydrophobicContact CG2-CG2 4.48Å
301	M	97.8	Very high	95.6	Very high	23 Å²	23	45.8 Å²	45.8	11%	0.113	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.1	174.9	-63.4	-62.4	-63.9	0	0	109.6	A225 I226 Y291 P297 N299 Y303 N405 M408	A225-M301 CarbonylContact C-O 3.57Å; A225-M301 VanDerWaalsContact CA-O 3.3Å; A225-M301 WeakPolarHBondContact CA-O 3.29Å; A225-M301 HydrophobicContact CB-CB 4.46Å; I226-M301 PolarHBondContact N-O 3.29Å; Y291-M301 HydrophobicContact CE1-CE 4.43Å; P297-M301 HydrophobicContact CB-CG 3.85Å; P297-M301 HydrophobicContact CB-SD 4.09Å; P297-M301 HydrophobicContact CG-CG 3.52Å; P297-M301 HydrophobicContact CG-SD 4.42Å; N299-M301 PolarHBondContact O-N 3.13Å; M301-Y303 HydrophobicContact CB-CD2 4.46Å; M301-Y303 HydrophobicContact CB-CE2 3.56Å; M301-Y303 HydrophobicContact CE-CE1 4.39Å; M301-N405 HydrophobicContact CE-CB 3.92Å; M301-N405 WeakPolarHBondContact CE-OD1 3.45Å; M301-M408 HydrophobicContact CE-CE 3.72Å; M301-M408 HydrophobicContact CE-SD 4.04Å
302	V	98.7	Very high	95.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.1	173.5	-175.2	0	0	0	0	108.5	E165 V167 I226 R228 I300 N405	E165-V302 HydrophobicContact CB-CB 4.17Å; E165-V302 VanDerWaalsContact CB-O 3.29Å; E165-V302 WeakPolarHBondContact CB-O 3.37Å; E165-V302 VanDerWaalsContact CD-O 3.29Å; E165-V302 WeakPolarHBondContact CG-O 3.41Å; V167-V302 HydrophobicContact CG2-CG2 4.11Å; I226-V302 HydrophobicContact CB-CG1 4.38Å; I226-V302 HydrophobicContact CB-CG2 4.3Å; I226-V302 HydrophobicContact CD1-CG2 4.38Å; I226-V302 HydrophobicContact CG2-CG1 4.43Å; I226-V302 CarbonylContact O-C 3.57Å; I226-V302 WeakPolarHBondContact O-CA 3.35Å; R228-V302 HydrophobicContact CG-CG1 4.26Å; R228-V302 VanDerWaalsContact CZ-CG1 3.49Å; I300-V302 HydrophobicContact CG2-CG2 4.48Å; V302-N405 WeakPolarHBondContact O-CB 3.43Å; V302-N405 PolarHBondContact O-ND2 2.94Å
303	Y	98.6	Very high	95.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.8	-179	-59.2	-84.5	0	0	0	109.6	E165 A225 I226 V227 R228 A288 Y291 M301 C305 N405 V406 M408 L409	E165-Y303 WeakPolarHBondContact OE1-CA 3.41Å; A225-Y303 HydrophobicContact CB-CE2 4.17Å; I226-Y303 PolarHBondContact O-N 3.24Å; V227-Y303 HydrophobicContact CG2-CD2 4.22Å; R228-Y303 PolarHBondContact N-O 3.03Å; A288-Y303 HydrophobicContact CB-CD2 3.74Å; A288-Y303 HydrophobicContact CB-CE2 3.49Å; A288-Y303 VanDerWaalsContact CB-CE2 3.49Å; A288-Y303 HydrophobicContact CB-CG 4.45Å; Y291-Y303 WeakPolarHBondContact CD1-OH 3.06Å; M301-Y303 HydrophobicContact CB-CD2 4.46Å; M301-Y303 HydrophobicContact CB-CE2 3.56Å; M301-Y303 HydrophobicContact CE-CE1 4.39Å; Y303-C305 PolarHBondContact O-N 3.37Å; Y303-N405 HydrophobicContact CD1-CB 3.71Å; Y303-N405 HydrophobicContact CE1-CB 3.76Å; Y303-N405 WeakPolarHBondContact CE1-O 3.48Å; Y303-V406 HydrophobicContact CD1-CG2 4.24Å; Y303-M408 HydrophobicContact CE1-CE 4.35Å; Y303-L409 HydrophobicContact CD1-CB 4.49Å; Y303-L409 HydrophobicContact CD1-CD2 4.14Å; Y303-L409 HydrophobicContact CE1-CB 3.98Å; Y303-L409 HydrophobicContact CE1-CD2 3.93Å; Y303-L409 HydrophobicContact CE1-CG 4.43Å
304	N	98.5	Very high	95.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	88.3	173.5	-74.4	-25.3	0	0	0	109.3	I163 E165 R228 T306 N402 T403	I163-N304 PolarHBondContact O-ND2 2.86Å; E165-N304 HydrophobicContact CG-CB 4.02Å; E165-N304 WeakPolarHBondContact CG-ND2 3.35Å; E165-N304 PolarHBondContact OE1-N 2.75Å; R228-N304 WeakPolarHBondContact CD-OD1 3.38Å; R228-N304 PolarHBondContact NH1-OD1 2.73Å; N304-T306 VanDerWaalsContact C-N 3.31Å; N304-T306 HydrophobicContact CB-CG2 4.28Å; N304-T306 PolarHBondContact O-N 3.44Å; N304-N402 VanDerWaalsContact CB-O 3.26Å; N304-N402 WeakPolarHBondContact CB-O 3.45Å; N304-N402 PolarHBondContact ND2-O 3.26Å; N304-T403 HydrophobicContact CB-CG2 4.42Å
305	C	98.1	Very high	95.3	Very high	5 Å²	5	48 Å²	48	3%	0.034	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	82.7	178.4	-169	0	0	0	0	109.9	V227 R228 P229 S230 T284 Y303	V227-C305 HydrophobicContact CG1-CB 3.96Å; R228-C305 PolarHBondContact O-N 3.36Å; P229-C305 WeakPolarHBondContact CA-O 3.23Å; S230-C305 PolarHBondContact N-O 3.11Å; T284-C305 HydrophobicContact CG2-CB 4.33Å; T284-C305 PolarHBondContact OG1-SG 3.42Å; Y303-C305 PolarHBondContact O-N 3.37Å
306	T	97.6	Very high	95.2	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.049	23%	0.227	C	C	.	.			trans	-133.1	167.5	-171.9	66	0	0	0	0	110.6	A154 N304 W401	A154-T306 HydrophobicContact CB-CG2 3.59Å; N304-T306 VanDerWaalsContact C-N 3.31Å; N304-T306 HydrophobicContact CB-CG2 4.28Å; N304-T306 PolarHBondContact O-N 3.44Å; T306-W401 HydrophobicContact CG2-CB 4.2Å; T306-W401 HydrophobicContact CG2-CD2 3.91Å; T306-W401 HydrophobicContact CG2-CE3 4.46Å; T306-W401 HydrophobicContact CG2-CG 3.74Å; T306-W401 WeakPolarHBondContact OG1-CB 3.42Å
307	T	96.3	Very high	95.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-117.2	-25.1	179.8	51.1	0	0	0	0	113.3	L275 V276 S309 T310 N311 V425 W430	L275-T307 WeakPolarHBondContact O-CG2 3.13Å; L275-T307 PolarHBondContact O-OG1 3.24Å; V276-T307 HydrophobicContact CB-CG2 4.43Å; T307-S309 PolarHBondContact O-N 3.2Å; T307-T310 PolarHBondContact O-N 3.27Å; T307-T310 PolarHBondContact O-OG1 3Å; T307-T310 VanDerWaalsContact O-OG1 3.14Å; T307-N311 CarbonylContact O-C 3.57Å; T307-N311 PolarHBondContact O-N 3.34Å; T307-V425 HydrophobicContact CG2-CB 4Å; T307-V425 HydrophobicContact CG2-CG1 3.95Å; T307-V425 HydrophobicContact CG2-CG2 4.17Å; T307-W430 HydrophobicContact CG2-CH2 4.14Å; T307-W430 HydrophobicContact CG2-CZ2 4.32Å
308	G	89.6	Confident	95.3	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.9	-167.7	0	0	0	0	0	115.2	D274 P312	D274-G308 WeakPolarHBondContact OD1-CA 3.35Å; D274-G308 PolarHBondContact OD1-N 2.95Å; G308-P312 WeakPolarHBondContact O-CG 3.44Å
309	S	88.7	Confident	95.6	Very high	54 Å²	54	30.9 Å²	30.9	38%	0.378	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-24.8	176.9	-58.4	0	0	0	0	113.1	T307 W401	T307-S309 PolarHBondContact O-N 3.2Å; S309-W401 PolarHBondContact OG-N 2.7Å; S309-W401 PolarHBondContact OG-O 3.44Å
310	T	92.9	Very high	95.8	Very high	43 Å²	43	31.9 Å²	31.9	26%	0.264	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-34.4	-168.5	47.5	0	0	0	0	114.2	T307 V425	T307-T310 PolarHBondContact O-N 3.27Å; T307-T310 PolarHBondContact O-OG1 3Å; T307-T310 VanDerWaalsContact O-OG1 3.14Å; T310-V425 WeakPolarHBondContact OG1-CG2 3.29Å
311	N	96.5	Very high	96	Very high	28 Å²	28	31.7 Å²	31.7	15%	0.15	17%	0.167	C	C	.	.	S	Bend	trans	-145.9	75.7	179.2	-173.6	5	0	0	0	108.6	T307 V425 L428 W430	T307-N311 CarbonylContact O-C 3.57Å; T307-N311 PolarHBondContact O-N 3.34Å; N311-V425 PolarHBondContact ND2-O 2.91Å; N311-L428 PolarHBondContact ND2-O 3.49Å; N311-W430 VanDerWaalsContact CG-NE1 3.32Å; N311-W430 PolarHBondContact ND2-NE1 3.4Å; N311-W430 VanDerWaalsContact O-CZ2 3.31Å; N311-W430 WeakPolarHBondContact O-CZ2 3.49Å; N311-W430 PolarHBondContact O-NE1 2.72Å; N311-W430 PolarHBondContact OD1-NE1 3.06Å
312	P	96	Very high	95.9	Very high	70 Å²	70	30.8 Å²	30.8	46%	0.455	16%	0.163	S	C	.	.			trans	-58.8	142.1	-171.9	-21.9	31.4	0	0	0	113.2	L272 G308	L272-P312 HydrophobicContact CD2-CB 3.88Å; G308-P312 WeakPolarHBondContact O-CG 3.44Å
313	F	96.6	Very high	95.9	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.165	C	C	.	.			trans	-145.2	134.5	175.4	-171.4	-135.9	0	0	0	109.4	L272 A273 L275 E317 V318 H321 W430 I434	L272-F313 CarbonylContact C-O 3.47Å; L272-F313 WeakPolarHBondContact CA-O 3.43Å; A273-F313 HydrophobicContact CB-CD1 4.28Å; A273-F313 PolarHBondContact N-O 3.14Å; L275-F313 HydrophobicContact CD1-CD1 4.4Å; L275-F313 HydrophobicContact CD1-CE1 4.35Å; F313-E317 HydrophobicContact CD2-CB 3.83Å; F313-E317 HydrophobicContact CE2-CB 3.35Å; F313-E317 HydrophobicContact CE2-CG 4.44Å; F313-E317 HydrophobicContact CZ-CB 4.09Å; F313-V318 HydrophobicContact CD1-CG2 3.69Å; F313-V318 HydrophobicContact CE1-CB 4.16Å; F313-V318 HydrophobicContact CE1-CG2 3.21Å; F313-V318 HydrophobicContact CZ-CB 4.37Å; F313-V318 HydrophobicContact CZ-CG2 3.81Å; F313-H321 AromaticContact CE2-CD2 3.94Å; F313-W430 HydrophobicContact CB-CD2 3.76Å; F313-W430 VanDerWaalsContact CB-CE2 3.49Å; F313-W430 HydrophobicContact CB-CE3 4.29Å; F313-W430 HydrophobicContact CB-CG 4.13Å; F313-W430 HydrophobicContact CB-CH2 4.31Å; F313-W430 HydrophobicContact CB-CZ2 3.78Å; F313-W430 AromaticContact CD1-CD2 3.81Å; F313-W430 HydrophobicContact CD1-CD2 3.81Å; F313-W430 AromaticContact CD1-CE3 3.58Å; F313-W430 HydrophobicContact CD1-CE3 3.58Å; F313-W430 HydrophobicContact CD1-CG 4.33Å; F313-W430 HydrophobicContact CD1-CH2 4.44Å; F313-W430 AromaticContact CD1-CZ3 3.93Å; F313-W430 HydrophobicContact CD1-CZ3 3.93Å; F313-W430 HydrophobicContact CD2-CB 3.8Å; F313-W430 AromaticContact CD2-CD1 3.91Å; F313-W430 AromaticContact CD2-CD2 3.94Å; F313-W430 HydrophobicContact CD2-CD2 3.94Å; F313-W430 HydrophobicContact CD2-CE3 4.46Å; F313-W430 AromaticContact CD2-CG 3.6Å; F313-W430 HydrophobicContact CD2-CG 3.6Å; F313-W430 HydrophobicContact CE1-CD2 4.33Å; F313-W430 AromaticContact CE1-CE3 3.9Å; F313-W430 HydrophobicContact CE1-CE3 3.9Å; F313-W430 HydrophobicContact CE1-CZ3 4.47Å; F313-W430 HydrophobicContact CE2-CB 3.69Å; F313-W430 HydrophobicContact CE2-CD2 4.47Å; F313-W430 HydrophobicContact CE2-CG 4.02Å; F313-W430 HydrophobicContact CG-CB 4.36Å; F313-W430 AromaticContact CG-CD2 3.59Å; F313-W430 HydrophobicContact CG-CD2 3.59Å; F313-W430 AromaticContact CG-CE2 3.9Å; F313-W430 AromaticContact CG-CE3 3.89Å; F313-W430 HydrophobicContact CG-CE3 3.89Å; F313-W430 AromaticContact CG-CG 3.8Å; F313-W430 HydrophobicContact CG-CG 3.8Å; F313-W430 HydrophobicContact CG-CZ2 4.43Å; F313-W430 HydrophobicContact CG-CZ3 4.44Å; F313-W430 HydrophobicContact CZ-CB 4.16Å; F313-I434 HydrophobicContact CE1-CD1 3.95Å; F313-I434 HydrophobicContact CE1-CG1 3.84Å; F313-I434 HydrophobicContact CZ-CD1 4.42Å; F313-I434 HydrophobicContact CZ-CG1 3.82Å
314	H	96.5	Very high	95.8	Very high	64 Å²	64	32.9 Å²	32.9	30%	0.296	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-107.2	153.2	-173.4	-57.2	80.8	0	0	0	112.7	N269 N270 A271 G316 E317 V318	N269-H314 WeakPolarHBondContact O-CB 3.18Å; N270-H314 PolarHBondContact O-CD2 3.1Å; A271-H314 WeakPolarHBondContact O-CA 3.23Å; H314-G316 PolarHBondContact O-N 2.9Å; H314-E317 HydrophobicContact CB-CG 4.29Å; H314-E317 WeakPolarHBondContact CB-OE2 3.39Å; H314-E317 IonicContact CG-OE2 3.56Å; H314-E317 PolarHBondContact N-OE2 3.39Å; H314-E317 IonicContact ND1-OE2 2.75Å; H314-E317 PolarHBondContact ND1-OE2 3.17Å; H314-E317 WeakPolarHBondContact O-CA 3.36Å; H314-E317 WeakPolarHBondContact O-CB 3.34Å; H314-E317 PolarHBondContact O-N 3.27Å; H314-V318 WeakPolarHBondContact O-CG2 3.31Å; H314-V318 PolarHBondContact O-N 3.22Å
315	W	95.1	Very high	95.7	Very high	13 Å²	13	33 Å²	33	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-29.1	178.5	-73.7	109.1	0	0	0	113.8	I231 A271 L272 A273 L275 E317 V318 E319 L342 F394 T395	I231-W315 HydrophobicContact CD1-CH2 4.35Å; I231-W315 HydrophobicContact CD1-CZ2 4.08Å; A271-W315 VanDerWaalsContact O-CD1 3.29Å; A271-W315 PolarHBondContact O-N 3.1Å; A271-W315 VanDerWaalsContact O-N 3.08Å; L272-W315 PolarHBondContact O-NE1 3.32Å; A273-W315 HydrophobicContact CB-CD2 3.6Å; A273-W315 HydrophobicContact CB-CE3 3.94Å; A273-W315 HydrophobicContact CB-CG 4.01Å; A273-W315 HydrophobicContact CB-CH2 4.22Å; A273-W315 HydrophobicContact CB-CZ2 3.91Å; A273-W315 HydrophobicContact CB-CZ3 4.23Å; L275-W315 HydrophobicContact CD2-CH2 4.49Å; W315-E317 VanDerWaalsContact C-N 3.33Å; W315-V318 HydrophobicContact CE3-CB 4.04Å; W315-V318 HydrophobicContact CE3-CG1 4.09Å; W315-V318 HydrophobicContact CE3-CG2 3.86Å; W315-V318 HydrophobicContact CZ3-CG1 4.13Å; W315-V318 HydrophobicContact CZ3-CG2 4.23Å; W315-V318 WeakPolarHBondContact O-CB 3.16Å; W315-V318 PolarHBondContact O-N 3.43Å; W315-E319 PolarHBondContact O-N 2.7Å; W315-L342 HydrophobicContact CB-CD1 3.93Å; W315-L342 VanDerWaalsContact O-CD1 3.29Å; W315-L342 WeakPolarHBondContact O-CD1 3.4Å; W315-F394 PolarHBondContact NE1-O 3.03Å; W315-T395 HydrophobicContact CD2-CG2 4.33Å; W315-T395 HydrophobicContact CH2-CG2 4.34Å; W315-T395 HydrophobicContact CZ2-CG2 3.99Å
316	G	95	Very high	95.7	Very high	23 Å²	23	32.8 Å²	32.8	24%	0.237	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-36.5	171.7	0	0	0	0	0	113.1	N269 H314 E319 Y320	N269-G316 PolarHBondContact O-N 3.41Å; H314-G316 PolarHBondContact O-N 2.9Å; G316-E319 PolarHBondContact O-N 3.38Å; G316-Y320 PolarHBondContact O-N 2.7Å; G316-Y320 VanDerWaalsContact O-N 3.11Å
317	E	96.6	Very high	95.5	Very high	78 Å²	78	36.9 Å²	36.9	36%	0.364	19%	0.192	S	C	.	.	H	α-helix	trans	-73.2	-39.2	176.2	-57.1	175.7	91.5	0	0	111	F313 H314 W315 E319 Y320 H321	F313-E317 HydrophobicContact CD2-CB 3.83Å; F313-E317 HydrophobicContact CE2-CB 3.35Å; F313-E317 HydrophobicContact CE2-CG 4.44Å; F313-E317 HydrophobicContact CZ-CB 4.09Å; H314-E317 HydrophobicContact CB-CG 4.29Å; H314-E317 WeakPolarHBondContact CB-OE2 3.39Å; H314-E317 IonicContact CG-OE2 3.56Å; H314-E317 PolarHBondContact N-OE2 3.39Å; H314-E317 IonicContact ND1-OE2 2.75Å; H314-E317 PolarHBondContact ND1-OE2 3.17Å; H314-E317 WeakPolarHBondContact O-CA 3.36Å; H314-E317 WeakPolarHBondContact O-CB 3.34Å; H314-E317 PolarHBondContact O-N 3.27Å; W315-E317 VanDerWaalsContact C-N 3.33Å; E317-E319 VanDerWaalsContact C-N 3.34Å; E317-E319 PolarHBondContact O-N 2.96Å; E317-Y320 PolarHBondContact O-N 3.12Å; E317-H321 PolarHBondContact O-CD2 3.17Å; E317-H321 PolarHBondContact O-N 3.23Å
318	V	96.2	Very high	95.5	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-54.9	-50.4	170.7	179.7	0	0	0	0	110.3	F254 A273 L275 F313 H314 W315 Y320 H321 V322	F254-V318 HydrophobicContact CE1-CG1 3.61Å; F254-V318 HydrophobicContact CZ-CG1 3.73Å; A273-V318 HydrophobicContact CB-CG2 3.59Å; L275-V318 HydrophobicContact CD1-CG2 4.42Å; F313-V318 HydrophobicContact CD1-CG2 3.69Å; F313-V318 HydrophobicContact CE1-CB 4.16Å; F313-V318 HydrophobicContact CE1-CG2 3.21Å; F313-V318 HydrophobicContact CZ-CB 4.37Å; F313-V318 HydrophobicContact CZ-CG2 3.81Å; H314-V318 WeakPolarHBondContact O-CG2 3.31Å; H314-V318 PolarHBondContact O-N 3.22Å; W315-V318 HydrophobicContact CE3-CB 4.04Å; W315-V318 HydrophobicContact CE3-CG1 4.09Å; W315-V318 HydrophobicContact CE3-CG2 3.86Å; W315-V318 HydrophobicContact CZ3-CG1 4.13Å; W315-V318 HydrophobicContact CZ3-CG2 4.23Å; W315-V318 WeakPolarHBondContact O-CB 3.16Å; W315-V318 PolarHBondContact O-N 3.43Å; V318-Y320 VanDerWaalsContact C-N 3.33Å; V318-Y320 PolarHBondContact O-N 3.28Å; V318-H321 PolarHBondContact O-N 3.2Å; V318-V322 HydrophobicContact CG1-CG2 4.04Å; V318-V322 VanDerWaalsContact O-CB 3.3Å; V318-V322 WeakPolarHBondContact O-CB 3.45Å; V318-V322 WeakPolarHBondContact O-CG2 3.38Å; V318-V322 PolarHBondContact O-N 3.2Å
319	E	95.5	Very high	95.7	Very high	52 Å²	52	43.5 Å²	43.5	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-54.7	-50.8	177.6	-172.2	-160.7	120.1	0	0	110.5	W315 G316 E317 I323 L342	W315-E319 PolarHBondContact O-N 2.7Å; G316-E319 PolarHBondContact O-N 3.38Å; E317-E319 VanDerWaalsContact C-N 3.34Å; E317-E319 PolarHBondContact O-N 2.96Å; E319-I323 HydrophobicContact CG-CG1 4.36Å; E319-I323 VanDerWaalsContact O-CB 3.29Å; E319-I323 WeakPolarHBondContact O-CB 3.39Å; E319-I323 WeakPolarHBondContact O-CG1 3.4Å; E319-I323 PolarHBondContact O-N 3.35Å; E319-L342 HydrophobicContact CB-CD1 4.03Å; E319-L342 HydrophobicContact CB-CG 4.27Å; E319-L342 HydrophobicContact CG-CG 4.34Å; E319-L342 WeakPolarHBondContact OE2-CB 3.4Å; E319-L342 WeakPolarHBondContact OE2-CG 3.48Å; E319-L342 PolarHBondContact OE2-N 2.77Å
320	Y	96.7	Very high	96.1	Very high	154 Å²	154	41 Å²	41	60%	0.604	20%	0.2	S	C	*	.	H	α-helix	trans	-57.9	-53.3	-179.2	176.2	-96.1	0	0	0	112.3	G316 E317 V318 S324	G316-Y320 PolarHBondContact O-N 2.7Å; G316-Y320 VanDerWaalsContact O-N 3.11Å; E317-Y320 PolarHBondContact O-N 3.12Å; V318-Y320 VanDerWaalsContact C-N 3.33Å; V318-Y320 PolarHBondContact O-N 3.28Å; Y320-S324 WeakPolarHBondContact O-CB 3.44Å; Y320-S324 PolarHBondContact O-N 2.86Å
321	H	97.7	Very high	96.3	Very high	39 Å²	39	39 Å²	39	18%	0.181	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-43.1	-176	-72.5	-62.8	0	0	0	112.3	F313 E317 V318 S324 T325 A431 I434	F313-H321 AromaticContact CE2-CD2 3.94Å; E317-H321 PolarHBondContact O-CD2 3.17Å; E317-H321 PolarHBondContact O-N 3.23Å; V318-H321 PolarHBondContact O-N 3.2Å; H321-S324 PolarHBondContact O-N 2.76Å; H321-T325 WeakPolarHBondContact O-CB 3.44Å; H321-T325 PolarHBondContact O-N 3.09Å; H321-T325 PolarHBondContact O-OG1 3.32Å; H321-A431 WeakPolarHBondContact CE1-CB 3.5Å; H321-I434 HydrophobicContact CB-CB 4Å; H321-I434 HydrophobicContact CB-CG2 3.6Å
322	V	97.4	Very high	96.2	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-47.9	178.1	171.2	0	0	0	0	110.9	F254 A257 V318 T325 F326 I434	F254-V322 HydrophobicContact CB-CG1 4.3Å; F254-V322 HydrophobicContact CD1-CG1 4.14Å; F254-V322 HydrophobicContact CD1-CG2 3.72Å; F254-V322 HydrophobicContact CD2-CG2 4.09Å; F254-V322 HydrophobicContact CE1-CG2 3.62Å; F254-V322 HydrophobicContact CE2-CG2 3.98Å; F254-V322 HydrophobicContact CG-CG1 4.22Å; F254-V322 HydrophobicContact CG-CG2 3.97Å; F254-V322 HydrophobicContact CZ-CG2 3.75Å; A257-V322 HydrophobicContact CB-CG1 4.33Å; V318-V322 HydrophobicContact CG1-CG2 4.04Å; V318-V322 VanDerWaalsContact O-CB 3.3Å; V318-V322 WeakPolarHBondContact O-CB 3.45Å; V318-V322 WeakPolarHBondContact O-CG2 3.38Å; V318-V322 PolarHBondContact O-N 3.2Å; V322-T325 PolarHBondContact O-N 3.42Å; V322-F326 HydrophobicContact CG1-CD2 3.8Å; V322-F326 HydrophobicContact CG1-CE2 3.77Å; V322-F326 WeakPolarHBondContact O-CD2 3.41Å; V322-F326 PolarHBondContact O-N 3.35Å; V322-I434 HydrophobicContact CG2-CG2 3.67Å
323	I	96.9	Very high	96	Very high	11 Å²	11	45 Å²	45	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-69	-39.2	-178.7	-64.3	-58.7	0	0	0	111.4	A257 E319 K327 P338 V340	A257-I323 HydrophobicContact CB-CD1 4.17Å; E319-I323 HydrophobicContact CG-CG1 4.36Å; E319-I323 VanDerWaalsContact O-CB 3.29Å; E319-I323 WeakPolarHBondContact O-CB 3.39Å; E319-I323 WeakPolarHBondContact O-CG1 3.4Å; E319-I323 PolarHBondContact O-N 3.35Å; I323-K327 HydrophobicContact CG2-CD 3.96Å; I323-K327 VanDerWaalsContact CG2-CE 3.45Å; I323-K327 HydrophobicContact CG2-CG 4.47Å; I323-K327 WeakPolarHBondContact O-CB 3.17Å; I323-K327 VanDerWaalsContact O-CG 3.25Å; I323-K327 WeakPolarHBondContact O-CG 3.34Å; I323-K327 PolarHBondContact O-N 3.39Å; I323-P338 HydrophobicContact CD1-CB 4.18Å; I323-V340 HydrophobicContact CD1-CB 4.09Å; I323-V340 HydrophobicContact CD1-CG2 3.93Å; I323-V340 HydrophobicContact CG1-CB 4.48Å
324	S	96.9	Very high	95.9	Very high	34 Å²	34	45.1 Å²	45.1	24%	0.238	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-47.5	174.8	-175.6	0	0	0	0	111.2	Y320 H321 K327 R328	Y320-S324 WeakPolarHBondContact O-CB 3.44Å; Y320-S324 PolarHBondContact O-N 2.86Å; H321-S324 PolarHBondContact O-N 2.76Å; S324-K327 PolarHBondContact O-N 2.8Å; S324-R328 PolarHBondContact O-N 3.3Å; S324-R328 VanDerWaalsContact O-N 3.13Å
325	T	97	Very high	95.7	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-50.1	178.7	-63.8	0	0	0	0	111.7	H321 V322 K327 R328 N329 E435 C438 M439	H321-T325 WeakPolarHBondContact O-CB 3.44Å; H321-T325 PolarHBondContact O-N 3.09Å; H321-T325 PolarHBondContact O-OG1 3.32Å; V322-T325 PolarHBondContact O-N 3.42Å; T325-K327 VanDerWaalsContact C-N 3.27Å; T325-K327 PolarHBondContact O-N 3.12Å; T325-R328 PolarHBondContact O-N 3.47Å; T325-R328 VanDerWaalsContact O-N 3.09Å; T325-N329 PolarHBondContact O-N 3.18Å; T325-E435 HydrophobicContact CG2-CB 4.47Å; T325-E435 HydrophobicContact CG2-CG 4.1Å; T325-C438 HydrophobicContact CG2-CB 3.6Å; T325-M439 HydrophobicContact CG2-SD 4.43Å
326	F	97.3	Very high	95.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.9	-17.2	179.5	-69.9	-51.1	0	0	0	114.6	F254 G258 V322 P330 L331 P338 C438	F254-F326 HydrophobicContact CB-CE2 4.21Å; F254-F326 WeakPolarHBondContact O-CE2 3.47Å; G258-F326 VanDerWaalsContact CA-CD2 3.42Å; V322-F326 HydrophobicContact CG1-CD2 3.8Å; V322-F326 HydrophobicContact CG1-CE2 3.77Å; V322-F326 WeakPolarHBondContact O-CD2 3.41Å; V322-F326 PolarHBondContact O-N 3.35Å; F326-P330 VanDerWaalsContact O-CA 3.23Å; F326-P330 WeakPolarHBondContact O-CA 3.26Å; F326-L331 HydrophobicContact CD1-CD1 4.31Å; F326-L331 HydrophobicContact CD1-CD2 4.06Å; F326-L331 HydrophobicContact CD1-CG 3.77Å; F326-L331 HydrophobicContact CE1-CD1 3.93Å; F326-L331 HydrophobicContact CE1-CD2 3.57Å; F326-L331 HydrophobicContact CE1-CG 3.64Å; F326-L331 HydrophobicContact CZ-CD1 4.16Å; F326-L331 HydrophobicContact CZ-CD2 4.4Å; F326-L331 HydrophobicContact CZ-CG 4.36Å; F326-P338 HydrophobicContact CB-CB 4.09Å; F326-P338 HydrophobicContact CB-CG 3.77Å; F326-C438 HydrophobicContact CE1-CB 3.88Å; F326-C438 HydrophobicContact CE2-CB 4.16Å; F326-C438 HydrophobicContact CZ-CB 3.66Å
327	K	94.9	Very high	95.6	Very high	94 Å²	94	49 Å²	49	41%	0.409	22%	0.217	S	C	.	.	H	α-helix	trans	-72.8	-36.2	168.3	-78.7	171.4	-179.8	169.1	0	111.8	I323 S324 T325 P338	I323-K327 HydrophobicContact CG2-CD 3.96Å; I323-K327 VanDerWaalsContact CG2-CE 3.45Å; I323-K327 HydrophobicContact CG2-CG 4.47Å; I323-K327 WeakPolarHBondContact O-CB 3.17Å; I323-K327 VanDerWaalsContact O-CG 3.25Å; I323-K327 WeakPolarHBondContact O-CG 3.34Å; I323-K327 PolarHBondContact O-N 3.39Å; S324-K327 PolarHBondContact O-N 2.8Å; T325-K327 VanDerWaalsContact C-N 3.27Å; T325-K327 PolarHBondContact O-N 3.12Å; K327-P338 VanDerWaalsContact CE-O 3.28Å; K327-P338 WeakPolarHBondContact CE-O 3.41Å
328	R	94.4	Very high	95.5	Very high	121 Å²	121	45.3 Å²	45.3	46%	0.457	20%	0.2	S	C	.	.	H	α-helix	trans	-81	-43.3	177.5	-65.3	-176.2	-64.3	171.3	10.4	112.4	S324 T325 P330 E435 R457	S324-R328 PolarHBondContact O-N 3.3Å; S324-R328 VanDerWaalsContact O-N 3.13Å; T325-R328 PolarHBondContact O-N 3.47Å; T325-R328 VanDerWaalsContact O-N 3.09Å; R328-P330 WeakPolarHBondContact O-CD 3.47Å; R328-E435 IonicContact CZ-OE2 3.79Å; R328-E435 VanDerWaalsContact NH2-CD 3.34Å; R328-E435 IonicContact NH2-OE1 3.59Å; R328-E435 PolarHBondContact NH2-OE1 3.12Å; R328-E435 IonicContact NH2-OE2 2.78Å; R328-E435 PolarHBondContact NH2-OE2 2.89Å; R328-R457 PolarHBondContact O-NE 3.06Å; R328-R457 PolarHBondContact O-NH2 3.25Å; R328-R457 VanDerWaalsContact O-NH2 3.09Å
329	N	95.3	Very high	95.4	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.123	21%	0.212	C	C	.	.	S	Bend	trans	-123.3	75.5	-174.7	-59	-42.2	0	0	0	109.7	T325 E435 M439 L453 R457	T325-N329 PolarHBondContact O-N 3.18Å; N329-E435 PolarHBondContact ND2-OE1 2.85Å; N329-M439 HydrophobicContact CB-CE 4.16Å; N329-M439 HydrophobicContact CB-SD 3.44Å; N329-M439 WeakPolarHBondContact CB-SD 3.5Å; N329-L453 HydrophobicContact CB-CD2 4.38Å; N329-R457 PolarHBondContact OD1-NH2 3.37Å
330	P	96.3	Very high	95.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-71.5	148.5	-171.8	27.5	-34.5	0	0	0	114	F326 R328 A456 R457 L460	F326-P330 VanDerWaalsContact O-CA 3.23Å; F326-P330 WeakPolarHBondContact O-CA 3.26Å; R328-P330 WeakPolarHBondContact O-CD 3.47Å; P330-A456 HydrophobicContact CB-CB 4.27Å; P330-A456 HydrophobicContact CG-CB 3.8Å; P330-R457 HydrophobicContact CG-CB 4.39Å; P330-R457 HydrophobicContact CG-CG 3.7Å; P330-L460 HydrophobicContact CB-CD1 3.43Å; P330-L460 VanDerWaalsContact CB-CD1 3.43Å; P330-L460 HydrophobicContact CB-CG 3.72Å; P330-L460 HydrophobicContact CG-CD1 4.09Å; P330-L460 HydrophobicContact CG-CG 4.29Å
331	L	96.8	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-70.3	147	165.5	-58.8	-179	0	0	0	110.1	I255 K259 F326 K442 L446 E448	I255-L331 HydrophobicContact CG2-CD1 4.43Å; K259-L331 HydrophobicContact CD-CB 4.04Å; K259-L331 HydrophobicContact CD-CD1 4.32Å; K259-L331 HydrophobicContact CG-CD1 4.01Å; F326-L331 HydrophobicContact CD1-CD1 4.31Å; F326-L331 HydrophobicContact CD1-CD2 4.06Å; F326-L331 HydrophobicContact CD1-CG 3.77Å; F326-L331 HydrophobicContact CE1-CD1 3.93Å; F326-L331 HydrophobicContact CE1-CD2 3.57Å; F326-L331 HydrophobicContact CE1-CG 3.64Å; F326-L331 HydrophobicContact CZ-CD1 4.16Å; F326-L331 HydrophobicContact CZ-CD2 4.4Å; F326-L331 HydrophobicContact CZ-CG 4.36Å; L331-K442 HydrophobicContact CD2-CB 3.62Å; L331-K442 HydrophobicContact CD2-CD 4.3Å; L331-K442 HydrophobicContact CD2-CG 3.84Å; L331-L446 HydrophobicContact CD1-CD1 3.79Å; L331-L446 HydrophobicContact CD2-CD1 3.77Å; L331-L446 HydrophobicContact CG-CD1 4.25Å; L331-E448 WeakPolarHBondContact CA-OE2 3.4Å
332	E	95.4	Very high	94.7	Very high	57 Å²	57	40.7 Å²	40.7	27%	0.266	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	155.6	177.1	-68.7	173.9	-148.4	0	0	110.9	K259 A334 K442 E448 A456	K259-E332 WeakPolarHBondContact CD-O 3.31Å; K259-E332 PolarHBondContact NZ-O 3.39Å; E332-A334 PolarHBondContact O-N 2.93Å; E332-K442 IonicContact OE1-NZ 2.87Å; E332-E448 HydrophobicContact CB-CG 4.29Å; E332-E448 HydrophobicContact CG-CG 4.26Å; E332-E448 PolarHBondContact N-OE1 3.12Å; E332-E448 PolarHBondContact N-OE2 3.28Å; E332-A456 HydrophobicContact CG-CB 4.16Å
333	Q	91.1	Very high	94.4	Very high	168 Å²	168	41.3 Å²	41.3	79%	0.785	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	32.2	174.5	-52.7	-176.2	5.3	0	0	114.7	F335	Q333-F335 PolarHBondContact O-N 3.5Å
334	A	94.3	Very high	94	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.025	22%	0.221	C	C	.	.			trans	-55.3	132.5	177.5	0	0	0	0	0	110.3	E332 H459 L460 L463	E332-A334 PolarHBondContact O-N 2.93Å; A334-H459 PolarHBondContact O-NE2 3.19Å; A334-L460 HydrophobicContact CB-CD2 3.89Å; A334-L463 WeakPolarHBondContact O-CD1 3.36Å
335	F	92.9	Very high	93.7	Very high	58 Å²	58	47.7 Å²	47.7	25%	0.254	23%	0.231	S	C	.	.	S	Bend	trans	-69.1	-40.5	178.9	179.2	-109.1	0	0	0	110.9	K259 I261 Q333 Y364 M377	K259-F335 WeakPolarHBondContact O-CB 3.33Å; K259-F335 PolarHBondContact O-N 2.97Å; I261-F335 HydrophobicContact CG1-CB 4.2Å; Q333-F335 PolarHBondContact O-N 3.5Å; F335-Y364 AromaticContact CE2-CD2 3.95Å; F335-Y364 HydrophobicContact CE2-CD2 3.95Å; F335-Y364 HydrophobicContact CE2-CE2 4.21Å; F335-Y364 HydrophobicContact CE2-CG 4.12Å; F335-M377 HydrophobicContact CD1-CE 3.56Å; F335-M377 HydrophobicContact CD2-CE 4.21Å; F335-M377 HydrophobicContact CE1-CE 3.52Å; F335-M377 HydrophobicContact CE2-CE 4.16Å; F335-M377 HydrophobicContact CG-CE 3.93Å; F335-M377 HydrophobicContact CZ-CE 3.83Å
336	R	93.6	Very high	93.3	Very high	52 Å²	52	52.7 Å²	52.7	20%	0.196	25%	0.254	C	S	.	.	S	Bend	trans	-140.7	165.7	174.5	-69.7	177.6	-68.8	-166.5	-6.7	109.7	K259 G260 I261 S356	K259-R336 PolarHBondContact O-N 2.86Å; G260-R336 WeakPolarHBondContact CA-O 3.19Å; G260-R336 PolarHBondContact O-NE 3.04Å; G260-R336 PolarHBondContact O-NH2 3.41Å; I261-R336 PolarHBondContact O-NH2 3.5Å; R336-S356 VanDerWaalsContact CZ-O 3.3Å; R336-S356 PolarHBondContact NH1-O 3.25Å; R336-S356 PolarHBondContact NH2-O 3.47Å
337	R	93.9	Very high	93.1	Very high	71 Å²	71	59.2 Å²	59.2	27%	0.268	29%	0.289	S	S	.	.			trans	-60.4	136.4	171.1	-61.3	-167.1	77.4	-154.7	0.8	110.4	R263 N339 L460 L463	R263-R337 PolarHBondContact NH1-O 2.85Å; R337-N339 PolarHBondContact O-N 3.48Å; R337-L460 HydrophobicContact CG-CD2 4.28Å; R337-L463 HydrophobicContact CG-CB 4.02Å
338	P	95	Very high	92.9	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.013	29%	0.288	C	S	.	.			trans	-53.4	121.8	176.4	-19.8	24.8	0	0	0	111.1	G258 I323 F326 K327 L460	G258-P338 WeakPolarHBondContact O-CG 3.47Å; I323-P338 HydrophobicContact CD1-CB 4.18Å; F326-P338 HydrophobicContact CB-CB 4.09Å; F326-P338 HydrophobicContact CB-CG 3.77Å; K327-P338 VanDerWaalsContact CE-O 3.28Å; K327-P338 WeakPolarHBondContact CE-O 3.41Å; P338-L460 HydrophobicContact CG-CD1 4.48Å
339	N	93.4	Very high	92.9	Very high	52 Å²	52	53.5 Å²	53.5	28%	0.278	27%	0.27	S	S	.	.			trans	-168.1	116.9	171	-169.2	81.7	0	0	0	108	R263 R337 N341	R263-N339 PolarHBondContact NE-O 3.27Å; R263-N339 PolarHBondContact NH1-O 2.82Å; R263-N339 VanDerWaalsContact NH1-O 3.15Å; R337-N339 PolarHBondContact O-N 3.48Å; N339-N341 PolarHBondContact ND2-OD1 3.21Å
340	V	93.6	Very high	92.8	Very high	8 Å²	8	56.8 Å²	56.8	5%	0.048	28%	0.284	C	S	.	.			trans	-121.2	142.7	176	174.1	0	0	0	0	106.7	A257 L262 R263 I323 L342	A257-V340 HydrophobicContact CB-CG2 3.58Å; L262-V340 HydrophobicContact CB-CG2 4.24Å; L262-V340 HydrophobicContact CD2-CG1 4.44Å; L262-V340 HydrophobicContact CD2-CG2 4.15Å; L262-V340 HydrophobicContact CG-CG1 4.37Å; L262-V340 HydrophobicContact CG-CG2 3.92Å; L262-V340 WeakPolarHBondContact O-CG2 3.41Å; R263-V340 CarbonylContact O-C 3.58Å; R263-V340 WeakPolarHBondContact O-CA 3.45Å; I323-V340 HydrophobicContact CD1-CB 4.09Å; I323-V340 HydrophobicContact CD1-CG2 3.93Å; I323-V340 HydrophobicContact CG1-CB 4.48Å; V340-L342 HydrophobicContact CG1-CD2 4.23Å
341	N	90.8	Very high	92.7	Very high	73 Å²	73	62.8 Å²	62.8	39%	0.39	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.5	170.1	-67.1	19.1	0	0	0	108.6	R263 T264 M265 N339	R263-N341 PolarHBondContact O-N 3.22Å; T264-N341 VanDerWaalsContact CA-O 3.25Å; T264-N341 WeakPolarHBondContact CA-O 3.32Å; T264-N341 PolarHBondContact OG1-O 3.37Å; T264-N341 VanDerWaalsContact OG1-O 3.06Å; M265-N341 PolarHBondContact N-O 3.1Å; N339-N341 PolarHBondContact ND2-OD1 3.21Å
342	L	91.5	Very high	92.5	Very high	19 Å²	19	66.6 Å²	66.6	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.9	169.2	-62.2	-174.1	0	0	0	110.6	M265 A267 N269 W315 E319 V340	M265-L342 HydrophobicContact CB-CD2 3.86Å; M265-L342 HydrophobicContact CE-CD2 3.67Å; A267-L342 HydrophobicContact CB-CB 4.2Å; A267-L342 HydrophobicContact CB-CD1 4.04Å; A267-L342 HydrophobicContact CB-CD2 3.94Å; A267-L342 HydrophobicContact CB-CG 4.26Å; N269-L342 WeakPolarHBondContact OD1-CB 3.18Å; W315-L342 HydrophobicContact CB-CD1 3.93Å; W315-L342 VanDerWaalsContact O-CD1 3.29Å; W315-L342 WeakPolarHBondContact O-CD1 3.4Å; E319-L342 HydrophobicContact CB-CD1 4.03Å; E319-L342 HydrophobicContact CB-CG 4.27Å; E319-L342 HydrophobicContact CG-CG 4.34Å; E319-L342 WeakPolarHBondContact OE2-CB 3.4Å; E319-L342 WeakPolarHBondContact OE2-CG 3.48Å; E319-L342 PolarHBondContact OE2-N 2.77Å; V340-L342 HydrophobicContact CG1-CD2 4.23Å
343	T	90.8	Very high	92.5	Very high	18 Å²	18	64.3 Å²	64.3	11%	0.11	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.2	-180	175.9	0	0	0	0	111.5	M265 R266 A267 N345 Y349	M265-T343 PolarHBondContact O-N 2.9Å; M265-T343 VanDerWaalsContact O-N 3.14Å; R266-T343 WeakPolarHBondContact CA-O 3.33Å; R266-T343 WeakPolarHBondContact CG-O 3.5Å; A267-T343 PolarHBondContact N-O 3.45Å; A267-T343 CarbonylContact O-C 3.27Å; A267-T343 VanDerWaalsContact O-C 3.27Å; T343-N345 PolarHBondContact OG1-N 3.42Å; T343-N345 VanDerWaalsContact OG1-N 3.13Å; T343-Y349 HydrophobicContact CG2-CD2 4.44Å
344	S	88.9	Confident	92.7	Very high	95 Å²	95	58.6 Å²	58.6	66%	0.664	29%	0.293	S	S	*	.			trans	-87.9	-19.1	169.5	55.1	0	0	0	0	112.6	A267 H346	A267-S344 PolarHBondContact O-N 3.4Å; S344-H346 PolarHBondContact O-N 3.48Å
345	N	90.9	Very high	92.7	Very high	84 Å²	84	61.6 Å²	61.6	45%	0.449	31%	0.311	S	S	.	.			trans	-76.3	119.6	-178.4	-176	-48.6	0	0	0	111.4	T343 L347 L348 Y349	T343-N345 PolarHBondContact OG1-N 3.42Å; T343-N345 VanDerWaalsContact OG1-N 3.13Å; N345-L347 PolarHBondContact OD1-N 3.49Å; N345-L348 HydrophobicContact CB-CB 3.96Å; N345-L348 PolarHBondContact OD1-N 2.96Å; N345-Y349 VanDerWaalsContact O-CB 3.31Å; N345-Y349 WeakPolarHBondContact O-CB 3.48Å; N345-Y349 PolarHBondContact O-N 3.39Å
346	H	88.8	Confident	92.7	Very high	108 Å²	108	59.8 Å²	59.8	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-42.6	-176.2	-175.6	-99.1	0	0	0	113.7	S344 Y349 H350	S344-H346 PolarHBondContact O-N 3.48Å; H346-Y349 WeakPolarHBondContact O-CB 3.4Å; H346-Y349 PolarHBondContact O-N 2.97Å; H346-H350 AromaticContact CD2-CD2 3.95Å; H346-H350 AromaticContact CD2-NE2 3.64Å; H346-H350 AromaticContact CE1-CD2 3.28Å; H346-H350 PolarHBondContact CE1-CD2 2.96Å; H346-H350 AromaticContact CE1-NE2 3.12Å; H346-H350 PolarHBondContact CE1-NE2 3.1Å; H346-H350 AromaticContact CG-CD2 4Å; H346-H350 AromaticContact ND1-CD2 3.59Å; H346-H350 AromaticContact ND1-NE2 3.85Å; H346-H350 AromaticContact NE2-CD2 3.49Å; H346-H350 PolarHBondContact NE2-CD2 3.14Å; H346-H350 AromaticContact NE2-NE2 2.91Å; H346-H350 PolarHBondContact NE2-NE2 2.93Å; H346-H350 PolarHBondContact O-CD2 3.34Å; H346-H350 PolarHBondContact O-N 2.91Å; H346-H350 VanDerWaalsContact O-N 3.11Å
347	L	91.8	Very high	92.7	Very high	137 Å²	137	57.4 Å²	57.4	72%	0.717	30%	0.296	S	S	*	.	H	α-helix	trans	-67.8	-45.2	-179.8	-65.3	176.2	0	0	0	111	N345 Y349 H350 Y351	N345-L347 PolarHBondContact OD1-N 3.49Å; L347-Y349 VanDerWaalsContact C-N 3.29Å; L347-Y349 PolarHBondContact O-N 2.91Å; L347-H350 PolarHBondContact O-N 3.37Å; L347-Y351 WeakPolarHBondContact O-CB 3.22Å; L347-Y351 PolarHBondContact O-N 2.96Å
348	L	92.3	Very high	92.8	Very high	75 Å²	75	59 Å²	59	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-39.4	177.5	-172.5	59.4	0	0	0	111.3	N345 Y351 W352	N345-L348 HydrophobicContact CB-CB 3.96Å; N345-L348 PolarHBondContact OD1-N 2.96Å; L348-Y351 HydrophobicContact CD1-CD1 4.45Å; L348-Y351 PolarHBondContact O-N 2.93Å; L348-W352 PolarHBondContact O-N 2.84Å
349	Y	92.4	Very high	92.8	Very high	20 Å²	20	61 Å²	61	8%	0.078	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-54.2	174.1	170.6	-110.8	0	0	0	111.7	T264 R266 T343 N345 H346 L347 Y351 W352 I353 M388	T264-Y349 HydrophobicContact CG2-CD2 4.36Å; R266-Y349 HydrophobicContact CB-CD2 4.29Å; R266-Y349 HydrophobicContact CB-CE2 4.33Å; T343-Y349 HydrophobicContact CG2-CD2 4.44Å; N345-Y349 VanDerWaalsContact O-CB 3.31Å; N345-Y349 WeakPolarHBondContact O-CB 3.48Å; N345-Y349 PolarHBondContact O-N 3.39Å; H346-Y349 WeakPolarHBondContact O-CB 3.4Å; H346-Y349 PolarHBondContact O-N 2.97Å; L347-Y349 VanDerWaalsContact C-N 3.29Å; L347-Y349 PolarHBondContact O-N 2.91Å; Y349-Y351 VanDerWaalsContact C-N 3.33Å; Y349-Y351 PolarHBondContact O-N 3.4Å; Y349-W352 PolarHBondContact O-N 3.34Å; Y349-W352 VanDerWaalsContact O-N 3.15Å; Y349-I353 HydrophobicContact CD1-CG1 4.43Å; Y349-I353 HydrophobicContact CD2-CD1 4.4Å; Y349-I353 HydrophobicContact CD2-CG1 4.04Å; Y349-I353 HydrophobicContact CE1-CG1 4.08Å; Y349-I353 HydrophobicContact CE2-CD1 3.64Å; Y349-I353 HydrophobicContact CE2-CG1 3.62Å; Y349-I353 HydrophobicContact CG-CG1 4.42Å; Y349-I353 WeakPolarHBondContact O-CG1 3.44Å; Y349-I353 PolarHBondContact O-N 3.39Å; Y349-M388 HydrophobicContact CE2-CE 3.8Å; Y349-M388 WeakPolarHBondContact OH-CE 3.25Å
350	H	93.3	Very high	92.8	Very high	91 Å²	91	60.1 Å²	60.1	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-37.8	-179.3	-76.4	-64.2	0	0	0	113.1	H346 L347 I353 A354	H346-H350 AromaticContact CD2-CD2 3.95Å; H346-H350 AromaticContact CD2-NE2 3.64Å; H346-H350 AromaticContact CE1-CD2 3.28Å; H346-H350 PolarHBondContact CE1-CD2 2.96Å; H346-H350 AromaticContact CE1-NE2 3.12Å; H346-H350 PolarHBondContact CE1-NE2 3.1Å; H346-H350 AromaticContact CG-CD2 4Å; H346-H350 AromaticContact ND1-CD2 3.59Å; H346-H350 AromaticContact ND1-NE2 3.85Å; H346-H350 AromaticContact NE2-CD2 3.49Å; H346-H350 PolarHBondContact NE2-CD2 3.14Å; H346-H350 AromaticContact NE2-NE2 2.91Å; H346-H350 PolarHBondContact NE2-NE2 2.93Å; H346-H350 PolarHBondContact O-CD2 3.34Å; H346-H350 PolarHBondContact O-N 2.91Å; H346-H350 VanDerWaalsContact O-N 3.11Å; L347-H350 PolarHBondContact O-N 3.37Å; H350-I353 PolarHBondContact O-N 2.9Å; H350-A354 PolarHBondContact O-N 2.83Å
351	Y	94.4	Very high	92.9	Very high	128 Å²	128	59.8 Å²	59.8	50%	0.502	32%	0.317	S	S	.	.	H	α-helix	trans	-56.4	-51.5	171.7	170.3	-96.3	0	0	0	111.3	L347 L348 Y349 I353 A354 V355	L347-Y351 WeakPolarHBondContact O-CB 3.22Å; L347-Y351 PolarHBondContact O-N 2.96Å; L348-Y351 HydrophobicContact CD1-CD1 4.45Å; L348-Y351 PolarHBondContact O-N 2.93Å; Y349-Y351 VanDerWaalsContact C-N 3.33Å; Y349-Y351 PolarHBondContact O-N 3.4Å; Y351-I353 PolarHBondContact O-N 3.25Å; Y351-A354 PolarHBondContact O-N 3.39Å; Y351-V355 HydrophobicContact CD2-CG2 4.15Å; Y351-V355 HydrophobicContact CE1-CG2 4.45Å; Y351-V355 HydrophobicContact CE2-CG2 3.77Å; Y351-V355 WeakPolarHBondContact O-CG2 3.21Å; Y351-V355 PolarHBondContact O-N 2.85Å
352	W	93.9	Very high	93.1	Very high	80 Å²	80	62 Å²	62	30%	0.303	32%	0.324	S	S	.	.	H	α-helix	trans	-68.4	-32.9	179.9	-73.6	125.2	0	0	0	113	T264 L348 Y349 S356	T264-W352 HydrophobicContact CG2-CB 3.57Å; L348-W352 PolarHBondContact O-N 2.84Å; Y349-W352 PolarHBondContact O-N 3.34Å; Y349-W352 VanDerWaalsContact O-N 3.15Å; W352-S356 WeakPolarHBondContact O-CA 3.32Å; W352-S356 WeakPolarHBondContact O-CB 3.44Å; W352-S356 PolarHBondContact O-N 3.39Å
353	I	94.6	Very high	93.3	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.041	35%	0.347	C	S	.	.	I	π-helix	trans	-59.5	-48.3	171	-70.8	-60.6	0	0	0	110.5	T264 Y349 H350 Y351 H357 K358 M388	T264-I353 HydrophobicContact CG2-CD1 3.81Å; T264-I353 HydrophobicContact CG2-CG1 4.22Å; Y349-I353 HydrophobicContact CD1-CG1 4.43Å; Y349-I353 HydrophobicContact CD2-CD1 4.4Å; Y349-I353 HydrophobicContact CD2-CG1 4.04Å; Y349-I353 HydrophobicContact CE1-CG1 4.08Å; Y349-I353 HydrophobicContact CE2-CD1 3.64Å; Y349-I353 HydrophobicContact CE2-CG1 3.62Å; Y349-I353 HydrophobicContact CG-CG1 4.42Å; Y349-I353 WeakPolarHBondContact O-CG1 3.44Å; Y349-I353 PolarHBondContact O-N 3.39Å; H350-I353 PolarHBondContact O-N 2.9Å; Y351-I353 PolarHBondContact O-N 3.25Å; I353-H357 WeakPolarHBondContact CD1-ND1 3.3Å; I353-H357 WeakPolarHBondContact O-CA 3.36Å; I353-H357 WeakPolarHBondContact O-CB 3.28Å; I353-H357 PolarHBondContact O-N 3.03Å; I353-H357 VanDerWaalsContact O-N 3.12Å; I353-K358 HydrophobicContact CG2-CD 4.25Å; I353-K358 HydrophobicContact CG2-CG 4.3Å; I353-K358 PolarHBondContact O-N 2.84Å; I353-M388 HydrophobicContact CD1-CE 3.95Å
354	A	94.8	Very high	93.4	Very high	49 Å²	49	68.4 Å²	68.4	41%	0.405	35%	0.353	S	S	.	.	I	π-helix	trans	-63.1	-51.2	-179.9	0	0	0	0	0	111.5	H350 Y351 A359	H350-A354 PolarHBondContact O-N 2.83Å; Y351-A354 PolarHBondContact O-N 3.39Å; A354-A359 WeakPolarHBondContact O-CB 3.45Å; A354-A359 PolarHBondContact O-N 2.96Å
355	V	94	Very high	93.8	Very high	66 Å²	66	64.4 Å²	64.4	40%	0.4	32%	0.324	S	S	.	.	I	π-helix	trans	-80.6	-37.4	-171.4	177.2	0	0	0	0	113	Y351 P360	Y351-V355 HydrophobicContact CD2-CG2 4.15Å; Y351-V355 HydrophobicContact CE1-CG2 4.45Å; Y351-V355 HydrophobicContact CE2-CG2 3.77Å; Y351-V355 WeakPolarHBondContact O-CG2 3.21Å; Y351-V355 PolarHBondContact O-N 2.85Å; V355-P360 WeakPolarHBondContact O-CD 3.19Å; V355-P360 WeakPolarHBondContact O-CG 3.41Å
356	S	93.5	Very high	94.1	Very high	20 Å²	20	63.4 Å²	63.4	14%	0.14	32%	0.318	C	S	.	.	I	π-helix	trans	-103.8	-18.4	-172.7	-70.1	0	0	0	0	114.7	R336 W352	R336-S356 VanDerWaalsContact CZ-O 3.3Å; R336-S356 PolarHBondContact NH1-O 3.25Å; R336-S356 PolarHBondContact NH2-O 3.47Å; W352-S356 WeakPolarHBondContact O-CA 3.32Å; W352-S356 WeakPolarHBondContact O-CB 3.44Å; W352-S356 PolarHBondContact O-N 3.39Å
357	H	94.9	Very high	94.3	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	32%	0.316	C	S	.	.	I	π-helix	trans	-108.3	-63.9	173.2	-65	163.1	0	0	0	112.5	I261 R263 T264 I353 A361 I381 H385	I261-H357 PolarHBondContact O-CD2 3.44Å; I261-H357 PolarHBondContact O-NE2 3.26Å; R263-H357 PolarHBondContact N-NE2 3.03Å; T264-H357 PolarHBondContact O-CE1 2.81Å; T264-H357 VanDerWaalsContact O-CE1 3.32Å; I353-H357 WeakPolarHBondContact CD1-ND1 3.3Å; I353-H357 WeakPolarHBondContact O-CA 3.36Å; I353-H357 WeakPolarHBondContact O-CB 3.28Å; I353-H357 PolarHBondContact O-N 3.03Å; I353-H357 VanDerWaalsContact O-N 3.12Å; H357-A361 VanDerWaalsContact O-CB 3.25Å; H357-A361 WeakPolarHBondContact O-CB 2.99Å; H357-A361 PolarHBondContact O-N 3.33Å; H357-I381 HydrophobicContact CB-CD1 4.18Å; H357-I381 HydrophobicContact CB-CG2 4.03Å; H357-H385 AromaticContact CG-NE2 3.6Å; H357-H385 AromaticContact ND1-CD2 3.83Å; H357-H385 AromaticContact ND1-NE2 3.06Å; H357-H385 PolarHBondContact ND1-NE2 2.84Å
358	K	95.8	Very high	94.5	Very high	105 Å²	105	57.4 Å²	57.4	46%	0.457	28%	0.282	S	S	.	.	I	π-helix	trans	-70.8	-51.1	-168.1	-66.7	-176.5	178.6	178.1	0	113	I353 A361 F362	I353-K358 HydrophobicContact CG2-CD 4.25Å; I353-K358 HydrophobicContact CG2-CG 4.3Å; I353-K358 PolarHBondContact O-N 2.84Å; K358-A361 PolarHBondContact O-N 3.19Å; K358-F362 WeakPolarHBondContact O-CB 2.9Å; K358-F362 PolarHBondContact O-N 2.47Å
359	A	95.2	Very high	94.6	Very high	44 Å²	44	62 Å²	62	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-48.3	-177.2	0	0	0	0	0	113	A354 A361 F362 L363	A354-A359 WeakPolarHBondContact O-CB 3.45Å; A354-A359 PolarHBondContact O-N 2.96Å; A359-A361 VanDerWaalsContact C-N 3.31Å; A359-A361 PolarHBondContact O-N 3.06Å; A359-F362 PolarHBondContact O-N 2.98Å; A359-L363 VanDerWaalsContact O-CG 3.3Å; A359-L363 WeakPolarHBondContact O-CG 3.27Å; A359-L363 PolarHBondContact O-N 3.04Å
360	P	92.9	Very high	94.8	Very high	34 Å²	34	68 Å²	68	22%	0.221	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-35.7	177.1	-23.7	35.5	0	0	0	113	V355 Y364	V355-P360 WeakPolarHBondContact O-CD 3.19Å; V355-P360 WeakPolarHBondContact O-CG 3.41Å; P360-Y364 VanDerWaalsContact O-CB 3.26Å; P360-Y364 WeakPolarHBondContact O-CB 3.35Å; P360-Y364 PolarHBondContact O-N 3.12Å
361	A	95	Very high	95	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.1	-42.6	177.9	0	0	0	0	0	112.3	H357 K358 A359 Y364 D365 M377 M378 I381	H357-A361 VanDerWaalsContact O-CB 3.25Å; H357-A361 WeakPolarHBondContact O-CB 2.99Å; H357-A361 PolarHBondContact O-N 3.33Å; K358-A361 PolarHBondContact O-N 3.19Å; A359-A361 VanDerWaalsContact C-N 3.31Å; A359-A361 PolarHBondContact O-N 3.06Å; A361-Y364 PolarHBondContact O-N 3.38Å; A361-D365 PolarHBondContact O-N 3.28Å; A361-M377 HydrophobicContact CB-CB 4.13Å; A361-M377 HydrophobicContact CB-CG 3.5Å; A361-M377 VanDerWaalsContact CB-CG 3.5Å; A361-M378 HydrophobicContact CB-CG 4.3Å; A361-M378 HydrophobicContact CB-SD 3.63Å; A361-I381 HydrophobicContact CB-CB 4.44Å; A361-I381 HydrophobicContact CB-CG1 3.65Å
362	F	96.2	Very high	94.9	Very high	120 Å²	120	64 Å²	64	53%	0.526	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-48.2	175.8	179.4	-104	0	0	0	111.7	K358 A359 Y364 D365 I366 M378	K358-F362 WeakPolarHBondContact O-CB 2.9Å; K358-F362 PolarHBondContact O-N 2.47Å; A359-F362 PolarHBondContact O-N 2.98Å; F362-Y364 VanDerWaalsContact C-N 3.3Å; F362-Y364 PolarHBondContact O-N 2.97Å; F362-D365 PolarHBondContact O-N 2.97Å; F362-I366 HydrophobicContact CD1-CD1 3.82Å; F362-I366 HydrophobicContact CE1-CD1 3.31Å; F362-I366 HydrophobicContact CE1-CG1 4.3Å; F362-I366 HydrophobicContact CE2-CD1 4.43Å; F362-I366 HydrophobicContact CZ-CD1 3.66Å; F362-I366 HydrophobicContact CZ-CG1 4.34Å; F362-I366 WeakPolarHBondContact O-CG1 3.33Å; F362-I366 PolarHBondContact O-N 2.99Å; F362-M378 HydrophobicContact CB-SD 4.14Å
363	L	94.8	Very high	95	Very high	113 Å²	113	67.6 Å²	67.6	59%	0.592	35%	0.349	S	S	*	.	H	α-helix	trans	-60.3	-40.6	176.5	-68.7	174.5	0	0	0	111.9	A359 I366 Y367	A359-L363 VanDerWaalsContact O-CG 3.3Å; A359-L363 WeakPolarHBondContact O-CG 3.27Å; A359-L363 PolarHBondContact O-N 3.04Å; L363-I366 PolarHBondContact O-N 3.26Å; L363-Y367 PolarHBondContact O-N 3.3Å
364	Y	93.8	Very high	94.9	Very high	58 Å²	58	71.7 Å²	71.7	23%	0.227	38%	0.378	C	S	.	.	H	α-helix	trans	-66.1	-38.4	176.5	-174.6	-100.5	0	0	0	112.3	F335 P360 A361 F362 Y367 L368 M377	F335-Y364 AromaticContact CE2-CD2 3.95Å; F335-Y364 HydrophobicContact CE2-CD2 3.95Å; F335-Y364 HydrophobicContact CE2-CE2 4.21Å; F335-Y364 HydrophobicContact CE2-CG 4.12Å; P360-Y364 VanDerWaalsContact O-CB 3.26Å; P360-Y364 WeakPolarHBondContact O-CB 3.35Å; P360-Y364 PolarHBondContact O-N 3.12Å; A361-Y364 PolarHBondContact O-N 3.38Å; F362-Y364 VanDerWaalsContact C-N 3.3Å; F362-Y364 PolarHBondContact O-N 2.97Å; Y364-Y367 HydrophobicContact CD2-CD1 4.39Å; Y364-Y367 HydrophobicContact CE2-CD1 4.3Å; Y364-Y367 WeakPolarHBondContact O-CB 3.46Å; Y364-Y367 PolarHBondContact O-N 3.45Å; Y364-L368 HydrophobicContact CD1-CD1 3.86Å; Y364-L368 HydrophobicContact CD1-CG 4.16Å; Y364-L368 HydrophobicContact CE1-CD1 3.49Å; Y364-L368 VanDerWaalsContact CE1-CD1 3.49Å; Y364-L368 HydrophobicContact CE1-CD2 4.19Å; Y364-L368 HydrophobicContact CE1-CG 3.85Å; Y364-L368 WeakPolarHBondContact O-CG 3.33Å; Y364-L368 PolarHBondContact O-N 3.45Å; Y364-M377 HydrophobicContact CD1-CB 3.71Å; Y364-M377 HydrophobicContact CD1-CG 4.18Å; Y364-M377 HydrophobicContact CE1-CB 4.45Å
365	D	95.8	Very high	94.9	Very high	11 Å²	11	71.1 Å²	71.1	6%	0.059	37%	0.37	C	S	.	.	H	α-helix	trans	-68.9	-33.6	175.5	-82.5	-11.2	0	0	0	112.6	A361 F362 L368 R369 P375 R376 M377 M378	A361-D365 PolarHBondContact O-N 3.28Å; F362-D365 PolarHBondContact O-N 2.97Å; D365-L368 PolarHBondContact O-N 3.03Å; D365-R369 WeakPolarHBondContact O-CG 3.4Å; D365-R369 PolarHBondContact O-N 3.42Å; D365-P375 HydrophobicContact CB-CB 3.71Å; D365-P375 WeakPolarHBondContact OD1-CA 3.48Å; D365-R376 PolarHBondContact OD1-N 3.18Å; D365-M377 WeakPolarHBondContact OD1-CB 3.46Å; D365-M377 PolarHBondContact OD1-N 3.26Å; D365-M377 PolarHBondContact OD2-N 3.46Å; D365-M378 WeakPolarHBondContact OD2-CB 3.48Å; D365-M378 WeakPolarHBondContact OD2-CG 3.49Å; D365-M378 PolarHBondContact OD2-N 3.38Å
366	I	96.8	Very high	94.8	Very high	63 Å²	63	75.3 Å²	75.3	32%	0.323	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-48.3	169.3	-68.9	172.8	0	0	0	110.1	F362 L363 L368 R369 M370	F362-I366 HydrophobicContact CD1-CD1 3.82Å; F362-I366 HydrophobicContact CE1-CD1 3.31Å; F362-I366 HydrophobicContact CE1-CG1 4.3Å; F362-I366 HydrophobicContact CE2-CD1 4.43Å; F362-I366 HydrophobicContact CZ-CD1 3.66Å; F362-I366 HydrophobicContact CZ-CG1 4.34Å; F362-I366 WeakPolarHBondContact O-CG1 3.33Å; F362-I366 PolarHBondContact O-N 2.99Å; L363-I366 PolarHBondContact O-N 3.26Å; I366-L368 VanDerWaalsContact C-N 3.31Å; I366-L368 PolarHBondContact O-N 2.84Å; I366-R369 PolarHBondContact O-N 2.65Å; I366-R369 VanDerWaalsContact O-N 3.14Å; I366-M370 HydrophobicContact CG2-CE 3.97Å; I366-M370 HydrophobicContact CG2-CG 4.27Å; I366-M370 HydrophobicContact CG2-SD 4.07Å; I366-M370 WeakPolarHBondContact O-CG 3.3Å; I366-M370 PolarHBondContact O-N 3.21Å
367	Y	94.9	Very high	94.8	Very high	117 Å²	117	75 Å²	75	46%	0.459	38%	0.375	S	S	.	.	H	α-helix	trans	-56.8	-43.5	175.8	167.9	-102	0	0	0	112.5	L363 Y364 M370 T371	L363-Y367 PolarHBondContact O-N 3.3Å; Y364-Y367 HydrophobicContact CD2-CD1 4.39Å; Y364-Y367 HydrophobicContact CE2-CD1 4.3Å; Y364-Y367 WeakPolarHBondContact O-CB 3.46Å; Y364-Y367 PolarHBondContact O-N 3.45Å; Y367-M370 PolarHBondContact O-N 3.32Å; Y367-T371 HydrophobicContact CD2-CG2 4.14Å; Y367-T371 HydrophobicContact CE1-CG2 4.47Å; Y367-T371 HydrophobicContact CE2-CG2 3.64Å; Y367-T371 WeakPolarHBondContact O-CG2 3.35Å; Y367-T371 PolarHBondContact O-N 2.94Å; Y367-T371 PolarHBondContact O-OG1 3.23Å
368	L	94.7	Very high	94.8	Very high	3 Å²	3	77.7 Å²	77.7	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-47.2	174.8	-71.9	179	0	0	0	111.5	Y364 D365 I366 M370 T371 G372 R373 R376	Y364-L368 HydrophobicContact CD1-CD1 3.86Å; Y364-L368 HydrophobicContact CD1-CG 4.16Å; Y364-L368 HydrophobicContact CE1-CD1 3.49Å; Y364-L368 VanDerWaalsContact CE1-CD1 3.49Å; Y364-L368 HydrophobicContact CE1-CD2 4.19Å; Y364-L368 HydrophobicContact CE1-CG 3.85Å; Y364-L368 WeakPolarHBondContact O-CG 3.33Å; Y364-L368 PolarHBondContact O-N 3.45Å; D365-L368 PolarHBondContact O-N 3.03Å; I366-L368 VanDerWaalsContact C-N 3.31Å; I366-L368 PolarHBondContact O-N 2.84Å; L368-M370 PolarHBondContact O-N 3.01Å; L368-T371 WeakPolarHBondContact CA-OG1 3.49Å; L368-T371 CarbonylContact O-C 3.49Å; L368-T371 PolarHBondContact O-N 3.32Å; L368-T371 VanDerWaalsContact O-N 3.11Å; L368-T371 PolarHBondContact O-OG1 3.43Å; L368-G372 PolarHBondContact O-N 2.68Å; L368-R373 CarbonylContact C-O 3.22Å; L368-R373 VanDerWaalsContact C-O 3.22Å; L368-R373 HydrophobicContact CB-CB 4.07Å; L368-R373 HydrophobicContact CD2-CB 3.92Å; L368-R373 HydrophobicContact CD2-CG 4.5Å; L368-R373 WeakPolarHBondContact O-CA 3.31Å; L368-R373 WeakPolarHBondContact O-CB 3.49Å; L368-R373 PolarHBondContact O-N 3.39Å; L368-R373 VanDerWaalsContact O-O 3.08Å; L368-R376 HydrophobicContact CD1-CG 3.86Å
369	R	95.8	Very high	94.7	Very high	172 Å²	172	79.4 Å²	79.4	65%	0.649	40%	0.396	S	S	*	.	H	α-helix	trans	-59.5	-45.1	177.2	-71.8	175.1	-175.5	-162.4	0.4	112.3	D365 I366 T371 G372 R373 P375	D365-R369 WeakPolarHBondContact O-CG 3.4Å; D365-R369 PolarHBondContact O-N 3.42Å; I366-R369 PolarHBondContact O-N 2.65Å; I366-R369 VanDerWaalsContact O-N 3.14Å; R369-T371 PolarHBondContact O-N 3.21Å; R369-G372 PolarHBondContact O-N 3.33Å; R369-G372 VanDerWaalsContact O-N 3.08Å; R369-R373 PolarHBondContact N-O 2.92Å; R369-P375 HydrophobicContact CG-CB 4.45Å; R369-P375 HydrophobicContact CG-CG 4.39Å
370	M	96.4	Very high	94.6	Very high	144 Å²	144	80 Å²	80	71%	0.709	40%	0.395	S	S	*	.	H	α-helix	trans	-63.7	-25.4	178	-67.6	-172.3	-55	0	0	112.9	I366 Y367 L368	I366-M370 HydrophobicContact CG2-CE 3.97Å; I366-M370 HydrophobicContact CG2-CG 4.27Å; I366-M370 HydrophobicContact CG2-SD 4.07Å; I366-M370 WeakPolarHBondContact O-CG 3.3Å; I366-M370 PolarHBondContact O-N 3.21Å; Y367-M370 PolarHBondContact O-N 3.32Å; L368-M370 PolarHBondContact O-N 3.01Å
371	T	95.9	Very high	94.7	Very high	62 Å²	62	78.4 Å²	78.4	38%	0.38	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	14.5	176.5	56.2	0	0	0	0	113.3	Y367 L368 R369 R373	Y367-T371 HydrophobicContact CD2-CG2 4.14Å; Y367-T371 HydrophobicContact CE1-CG2 4.47Å; Y367-T371 HydrophobicContact CE2-CG2 3.64Å; Y367-T371 WeakPolarHBondContact O-CG2 3.35Å; Y367-T371 PolarHBondContact O-N 2.94Å; Y367-T371 PolarHBondContact O-OG1 3.23Å; L368-T371 WeakPolarHBondContact CA-OG1 3.49Å; L368-T371 CarbonylContact O-C 3.49Å; L368-T371 PolarHBondContact O-N 3.32Å; L368-T371 VanDerWaalsContact O-N 3.11Å; L368-T371 PolarHBondContact O-OG1 3.43Å; R369-T371 PolarHBondContact O-N 3.21Å; T371-R373 VanDerWaalsContact C-N 3.28Å; T371-R373 PolarHBondContact O-N 3.12Å
372	G	94.1	Very high	94.6	Very high	74 Å²	74	81.8 Å²	81.8	76%	0.763	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	14.7	179	0	0	0	0	0	114.6	L368 R369	L368-G372 PolarHBondContact O-N 2.68Å; R369-G372 PolarHBondContact O-N 3.33Å; R369-G372 VanDerWaalsContact O-N 3.08Å
373	R	94.8	Very high	94.4	Very high	156 Å²	156	85.3 Å²	85.3	59%	0.589	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-102.8	152	-179.3	-61.8	178	-179.3	-174	-0.3	111.3	L368 R369 T371	L368-R373 CarbonylContact C-O 3.22Å; L368-R373 VanDerWaalsContact C-O 3.22Å; L368-R373 HydrophobicContact CB-CB 4.07Å; L368-R373 HydrophobicContact CD2-CB 3.92Å; L368-R373 HydrophobicContact CD2-CG 4.5Å; L368-R373 WeakPolarHBondContact O-CA 3.31Å; L368-R373 WeakPolarHBondContact O-CB 3.49Å; L368-R373 PolarHBondContact O-N 3.39Å; L368-R373 VanDerWaalsContact O-O 3.08Å; R369-R373 PolarHBondContact N-O 2.92Å; T371-R373 VanDerWaalsContact C-N 3.28Å; T371-R373 PolarHBondContact O-N 3.12Å
374	S	93.5	Very high	94.3	Very high	94 Å²	94	80.7 Å²	80.7	66%	0.657	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-73	137.2	178.6	57.7	0	0	0	0	112.2
375	P	93.3	Very high	94.2	Very high	37 Å²	37	79.3 Å²	79.3	24%	0.24	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-67.6	136.7	176.4	29.9	-36.4	0	0	0	110.6	D365 R369	D365-P375 HydrophobicContact CB-CB 3.71Å; D365-P375 WeakPolarHBondContact OD1-CA 3.48Å; R369-P375 HydrophobicContact CG-CB 4.45Å; R369-P375 HydrophobicContact CG-CG 4.39Å
376	R	93.8	Very high	93.9	Very high	154 Å²	154	85.3 Å²	85.3	58%	0.581	41%	0.412	S	S	*	.			trans	-141.1	-25.1	-174.1	67.5	-176.3	-173.4	177.1	1.8	114.6	D365 L368 K379 T380	D365-R376 PolarHBondContact OD1-N 3.18Å; L368-R376 HydrophobicContact CD1-CG 3.86Å; R376-K379 WeakPolarHBondContact O-CB 3.08Å; R376-K379 PolarHBondContact O-N 3.27Å; R376-T380 PolarHBondContact O-N 3.47Å; R376-T380 VanDerWaalsContact O-N 3.16Å; R376-T380 PolarHBondContact O-OG1 3.18Å
377	M	93.3	Very high	93.5	Very high	14 Å²	14	84.3 Å²	84.3	7%	0.069	41%	0.414	C	S	.	.	H	α-helix	trans	-74.2	-37.7	-169	-169.8	63.6	173.4	0	0	112.4	I261 F335 A361 Y364 D365 K379 T380 I381	I261-M377 HydrophobicContact CG1-CE 4.37Å; I261-M377 HydrophobicContact CG2-CE 4.28Å; F335-M377 HydrophobicContact CD1-CE 3.56Å; F335-M377 HydrophobicContact CD2-CE 4.21Å; F335-M377 HydrophobicContact CE1-CE 3.52Å; F335-M377 HydrophobicContact CE2-CE 4.16Å; F335-M377 HydrophobicContact CG-CE 3.93Å; F335-M377 HydrophobicContact CZ-CE 3.83Å; A361-M377 HydrophobicContact CB-CB 4.13Å; A361-M377 HydrophobicContact CB-CG 3.5Å; A361-M377 VanDerWaalsContact CB-CG 3.5Å; Y364-M377 HydrophobicContact CD1-CB 3.71Å; Y364-M377 HydrophobicContact CD1-CG 4.18Å; Y364-M377 HydrophobicContact CE1-CB 4.45Å; D365-M377 WeakPolarHBondContact OD1-CB 3.46Å; D365-M377 PolarHBondContact OD1-N 3.26Å; D365-M377 PolarHBondContact OD2-N 3.46Å; M377-K379 VanDerWaalsContact C-N 3.28Å; M377-K379 PolarHBondContact O-N 3.14Å; M377-T380 WeakPolarHBondContact O-CB 3.48Å; M377-T380 PolarHBondContact O-N 3.23Å; M377-I381 HydrophobicContact CE-CD1 4.48Å; M377-I381 WeakPolarHBondContact O-CG1 3.01Å; M377-I381 PolarHBondContact O-N 3.27Å
378	M	95.1	Very high	93.3	Very high	57 Å²	57	78.9 Å²	78.9	28%	0.281	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-37.9	173	-75.3	-61.1	-63.1	0	0	111.7	A361 F362 D365 T380 I381 T382	A361-M378 HydrophobicContact CB-CG 4.3Å; A361-M378 HydrophobicContact CB-SD 3.63Å; F362-M378 HydrophobicContact CB-SD 4.14Å; D365-M378 WeakPolarHBondContact OD2-CB 3.48Å; D365-M378 WeakPolarHBondContact OD2-CG 3.49Å; D365-M378 PolarHBondContact OD2-N 3.38Å; M378-T380 PolarHBondContact O-N 2.94Å; M378-I381 PolarHBondContact O-N 3.05Å; M378-T382 WeakPolarHBondContact O-CB 3.45Å; M378-T382 PolarHBondContact O-N 3.29Å; M378-T382 PolarHBondContact O-OG1 3.34Å
379	K	93.5	Very high	93	Very high	140 Å²	140	82.7 Å²	82.7	61%	0.609	42%	0.416	S	S	*	.	H	α-helix	trans	-61.7	-43.8	174.7	-66.3	177.7	179.5	175.4	0	111.2	R376 M377 T382 R383	R376-K379 WeakPolarHBondContact O-CB 3.08Å; R376-K379 PolarHBondContact O-N 3.27Å; M377-K379 VanDerWaalsContact C-N 3.28Å; M377-K379 PolarHBondContact O-N 3.14Å; K379-T382 PolarHBondContact O-N 2.97Å; K379-R383 WeakPolarHBondContact O-CG 3.25Å; K379-R383 PolarHBondContact O-N 3.3Å; K379-R383 VanDerWaalsContact O-N 3.1Å
380	T	92.9	Very high	92.4	Very high	57 Å²	57	77.7 Å²	77.7	35%	0.35	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-47.1	175.3	-60.2	0	0	0	0	111.9	I261 R376 M377 M378 T382 R383 L384	I261-T380 HydrophobicContact CD1-CG2 4.31Å; I261-T380 HydrophobicContact CG2-CG2 4.33Å; R376-T380 PolarHBondContact O-N 3.47Å; R376-T380 VanDerWaalsContact O-N 3.16Å; R376-T380 PolarHBondContact O-OG1 3.18Å; M377-T380 WeakPolarHBondContact O-CB 3.48Å; M377-T380 PolarHBondContact O-N 3.23Å; M378-T380 PolarHBondContact O-N 2.94Å; T380-T382 PolarHBondContact O-N 2.78Å; T380-R383 PolarHBondContact O-N 2.69Å; T380-L384 PolarHBondContact O-N 3.21Å
381	I	94.3	Very high	92.1	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-41.3	178.3	-70.6	-57.6	0	0	0	111.8	I261 H357 A361 M377 M378 R383 L384 H385	I261-I381 HydrophobicContact CG2-CD1 3.67Å; H357-I381 HydrophobicContact CB-CD1 4.18Å; H357-I381 HydrophobicContact CB-CG2 4.03Å; A361-I381 HydrophobicContact CB-CB 4.44Å; A361-I381 HydrophobicContact CB-CG1 3.65Å; M377-I381 HydrophobicContact CE-CD1 4.48Å; M377-I381 WeakPolarHBondContact O-CG1 3.01Å; M377-I381 PolarHBondContact O-N 3.27Å; M378-I381 PolarHBondContact O-N 3.05Å; I381-R383 VanDerWaalsContact C-N 3.33Å; I381-R383 PolarHBondContact O-N 3.01Å; I381-L384 HydrophobicContact CD1-CD2 4.33Å; I381-L384 WeakPolarHBondContact O-CB 3.34Å; I381-L384 PolarHBondContact O-N 3.06Å; I381-H385 WeakPolarHBondContact CG2-CE1 3.42Å; I381-H385 WeakPolarHBondContact CG2-NE2 3.35Å; I381-H385 PolarHBondContact O-CD2 3.15Å; I381-H385 PolarHBondContact O-N 2.91Å
382	T	93.7	Very high	91.8	Very high	70 Å²	70	70.3 Å²	70.3	43%	0.429	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-41.6	176.2	-61.7	0	0	0	0	111.8	M378 K379 T380 H385 K386	M378-T382 WeakPolarHBondContact O-CB 3.45Å; M378-T382 PolarHBondContact O-N 3.29Å; M378-T382 PolarHBondContact O-OG1 3.34Å; K379-T382 PolarHBondContact O-N 2.97Å; T380-T382 PolarHBondContact O-N 2.78Å; T382-H385 PolarHBondContact O-N 2.87Å; T382-K386 WeakPolarHBondContact O-CG 3.27Å; T382-K386 PolarHBondContact O-N 3.46Å; T382-K386 VanDerWaalsContact O-N 3.1Å
383	R	90.9	Very high	91.7	Very high	194 Å²	194	69.7 Å²	69.7	73%	0.732	33%	0.334	S	S	*	.	H	α-helix	trans	-64	-42.7	174.8	-71	176.7	-176.8	179.1	-0.5	111.7	K379 T380 I381 K386 A387	K379-R383 WeakPolarHBondContact O-CG 3.25Å; K379-R383 PolarHBondContact O-N 3.3Å; K379-R383 VanDerWaalsContact O-N 3.1Å; T380-R383 PolarHBondContact O-N 2.69Å; I381-R383 VanDerWaalsContact C-N 3.33Å; I381-R383 PolarHBondContact O-N 3.01Å; R383-K386 PolarHBondContact O-N 3.3Å; R383-A387 PolarHBondContact O-N 3.35Å; R383-A387 VanDerWaalsContact O-N 3.12Å
384	L	92.6	Very high	91.6	Very high	16 Å²	16	62.7 Å²	62.7	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-46.4	176.2	177.2	63.4	0	0	0	111.7	L253 A256 I261 L262 T380 I381 K386 A387 M388	L253-L384 HydrophobicContact CD2-CD1 4.07Å; A256-L384 HydrophobicContact CB-CD1 3.94Å; I261-L384 HydrophobicContact CG2-CD2 3.95Å; L262-L384 HydrophobicContact CB-CD2 4.13Å; L262-L384 HydrophobicContact CD1-CD1 4.29Å; L262-L384 HydrophobicContact CD1-CD2 4.06Å; L262-L384 HydrophobicContact CD1-CG 4.43Å; T380-L384 PolarHBondContact O-N 3.21Å; I381-L384 HydrophobicContact CD1-CD2 4.33Å; I381-L384 WeakPolarHBondContact O-CB 3.34Å; I381-L384 PolarHBondContact O-N 3.06Å; L384-K386 VanDerWaalsContact C-N 3.35Å; L384-K386 PolarHBondContact O-N 3.31Å; L384-A387 WeakPolarHBondContact O-CB 3.3Å; L384-A387 PolarHBondContact O-N 3.43Å; L384-M388 HydrophobicContact CD1-CG 4.36Å; L384-M388 HydrophobicContact CD1-SD 4.37Å; L384-M388 HydrophobicContact CD2-SD 4.48Å; L384-M388 HydrophobicContact CG-CG 4.43Å; L384-M388 HydrophobicContact CG-SD 3.92Å; L384-M388 VanDerWaalsContact O-CG 3.31Å; L384-M388 WeakPolarHBondContact O-CG 3.37Å; L384-M388 PolarHBondContact O-N 3.38Å
385	H	93.2	Very high	91.6	Very high	30 Å²	30	58.4 Å²	58.4	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-63.3	-40	179.4	-69.9	177.7	0	0	0	112	H357 I381 T382 A387 M388 V389	H357-H385 AromaticContact CG-NE2 3.6Å; H357-H385 AromaticContact ND1-CD2 3.83Å; H357-H385 AromaticContact ND1-NE2 3.06Å; H357-H385 PolarHBondContact ND1-NE2 2.84Å; I381-H385 WeakPolarHBondContact CG2-CE1 3.42Å; I381-H385 WeakPolarHBondContact CG2-NE2 3.35Å; I381-H385 PolarHBondContact O-CD2 3.15Å; I381-H385 PolarHBondContact O-N 2.91Å; T382-H385 PolarHBondContact O-N 2.87Å; H385-A387 VanDerWaalsContact C-N 3.34Å; H385-A387 PolarHBondContact O-N 3.41Å; H385-M388 PolarHBondContact O-N 3.34Å; H385-V389 WeakPolarHBondContact O-CG2 3.39Å; H385-V389 PolarHBondContact O-N 3.22Å
386	K	88.9	Confident	91.6	Very high	137 Å²	137	58 Å²	58	60%	0.596	28%	0.275	S	S	*	.	H	α-helix	trans	-57.2	-48.5	172.5	-73.6	-177.2	177.9	-168.1	0	111.1	T382 R383 L384 M388 V389 F390	T382-K386 WeakPolarHBondContact O-CG 3.27Å; T382-K386 PolarHBondContact O-N 3.46Å; T382-K386 VanDerWaalsContact O-N 3.1Å; R383-K386 PolarHBondContact O-N 3.3Å; L384-K386 VanDerWaalsContact C-N 3.35Å; L384-K386 PolarHBondContact O-N 3.31Å; K386-M388 VanDerWaalsContact C-N 3.34Å; K386-M388 PolarHBondContact O-N 3.42Å; K386-V389 PolarHBondContact O-N 3.11Å; K386-F390 HydrophobicContact CB-CE2 4.41Å; K386-F390 WeakPolarHBondContact O-CD2 3.38Å; K386-F390 WeakPolarHBondContact O-CE2 3.29Å; K386-F390 PolarHBondContact O-N 2.94Å
387	A	87.8	Confident	91.6	Very high	42 Å²	42	53.9 Å²	53.9	35%	0.347	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-41.1	177.4	0	0	0	0	0	112.6	R383 L384 H385 V389 F390 L391	R383-A387 PolarHBondContact O-N 3.35Å; R383-A387 VanDerWaalsContact O-N 3.12Å; L384-A387 WeakPolarHBondContact O-CB 3.3Å; L384-A387 PolarHBondContact O-N 3.43Å; H385-A387 VanDerWaalsContact C-N 3.34Å; H385-A387 PolarHBondContact O-N 3.41Å; A387-V389 PolarHBondContact O-N 3.14Å; A387-F390 PolarHBondContact O-N 3.27Å; A387-L391 WeakPolarHBondContact O-CG 3.49Å; A387-L391 PolarHBondContact O-N 2.88Å
388	M	90.9	Very high	91.6	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-42.2	177.8	-70.8	167.5	50.4	0	0	112.7	L253 L262 T264 M265 Y349 I353 L384 H385 K386 F390 L391 E392	L253-M388 HydrophobicContact CD2-CG 4.28Å; L262-M388 HydrophobicContact CD1-CE 4.41Å; L262-M388 HydrophobicContact CD1-CG 4.37Å; L262-M388 HydrophobicContact CD1-SD 3.61Å; T264-M388 VanDerWaalsContact O-CE 3.3Å; T264-M388 WeakPolarHBondContact O-CE 3.48Å; M265-M388 HydrophobicContact CB-CE 4.18Å; M265-M388 HydrophobicContact CG-CE 4.19Å; M265-M388 HydrophobicContact CG-CG 4.35Å; M265-M388 HydrophobicContact SD-CG 4.49Å; Y349-M388 HydrophobicContact CE2-CE 3.8Å; Y349-M388 WeakPolarHBondContact OH-CE 3.25Å; I353-M388 HydrophobicContact CD1-CE 3.95Å; L384-M388 HydrophobicContact CD1-CG 4.36Å; L384-M388 HydrophobicContact CD1-SD 4.37Å; L384-M388 HydrophobicContact CD2-SD 4.48Å; L384-M388 HydrophobicContact CG-CG 4.43Å; L384-M388 HydrophobicContact CG-SD 3.92Å; L384-M388 VanDerWaalsContact O-CG 3.31Å; L384-M388 WeakPolarHBondContact O-CG 3.37Å; L384-M388 PolarHBondContact O-N 3.38Å; H385-M388 PolarHBondContact O-N 3.34Å; K386-M388 VanDerWaalsContact C-N 3.34Å; K386-M388 PolarHBondContact O-N 3.42Å; M388-F390 VanDerWaalsContact C-N 3.34Å; M388-F390 PolarHBondContact O-N 2.9Å; M388-L391 PolarHBondContact O-N 3.05Å; M388-L391 VanDerWaalsContact O-N 3.15Å; M388-E392 PolarHBondContact O-N 2.88Å
389	V	87.9	Confident	91.7	Very high	84 Å²	84	53.1 Å²	53.1	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-41.6	179	170.4	0	0	0	0	111.4	H385 K386 A387 L391 E392	H385-V389 WeakPolarHBondContact O-CG2 3.39Å; H385-V389 PolarHBondContact O-N 3.22Å; K386-V389 PolarHBondContact O-N 3.11Å; A387-V389 PolarHBondContact O-N 3.14Å; V389-L391 PolarHBondContact O-N 3.36Å; V389-E392 PolarHBondContact O-N 2.99Å
390	F	83.9	Confident	91.8	Very high	67 Å²	67	49.7 Å²	49.7	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-25.7	177.2	-65.8	-59.2	0	0	0	113.4	F117 N118 K386 A387 M388	F117-F390 HydrophobicContact CB-CB 4.14Å; F117-F390 HydrophobicContact CB-CD1 3.84Å; F117-F390 HydrophobicContact CB-CE1 4.47Å; F117-F390 HydrophobicContact CB-CG 3.98Å; F117-F390 HydrophobicContact CD2-CB 4.03Å; F117-F390 HydrophobicContact CG-CB 4.49Å; N118-F390 HydrophobicContact CB-CE1 4Å; N118-F390 HydrophobicContact CB-CE2 4.08Å; N118-F390 HydrophobicContact CB-CZ 3.46Å; N118-F390 VanDerWaalsContact CB-CZ 3.46Å; K386-F390 HydrophobicContact CB-CE2 4.41Å; K386-F390 WeakPolarHBondContact O-CD2 3.38Å; K386-F390 WeakPolarHBondContact O-CE2 3.29Å; K386-F390 PolarHBondContact O-N 2.94Å; A387-F390 PolarHBondContact O-N 3.27Å; M388-F390 VanDerWaalsContact C-N 3.34Å; M388-F390 PolarHBondContact O-N 2.9Å
391	L	88.9	Confident	91.9	Very high	22 Å²	22	47.2 Å²	47.2	12%	0.115	24%	0.24	C	C	.	.	H	α-helix	trans	-92.2	-25.7	-178.8	-64.3	174.4	0	0	0	112.7	F117 L253 A387 M388 V389 Y393 F394 T395	F117-L391 HydrophobicContact CE2-CD2 4.3Å; L253-L391 HydrophobicContact CD1-CD1 3.39Å; L253-L391 HydrophobicContact CD2-CD1 4.46Å; L253-L391 HydrophobicContact CG-CD1 3.91Å; A387-L391 WeakPolarHBondContact O-CG 3.49Å; A387-L391 PolarHBondContact O-N 2.88Å; M388-L391 PolarHBondContact O-N 3.05Å; M388-L391 VanDerWaalsContact O-N 3.15Å; V389-L391 PolarHBondContact O-N 3.36Å; L391-Y393 VanDerWaalsContact C-N 3.29Å; L391-Y393 PolarHBondContact O-N 2.91Å; L391-F394 WeakPolarHBondContact O-CA 3.41Å; L391-F394 PolarHBondContact O-N 3.06Å; L391-T395 HydrophobicContact CB-CG2 4.33Å; L391-T395 PolarHBondContact O-N 3.33Å; L391-T395 PolarHBondContact O-OG1 3.15Å
392	E	91.1	Very high	92	Very high	29 Å²	29	49.4 Å²	49.4	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-0.7	-74.9	153.9	165.1	-116.6	-119.9	0	0	116.1	R266 M388 V389 F394 T395 S396	R266-E392 HydrophobicContact CB-CB 4.28Å; R266-E392 HydrophobicContact CB-CG 4Å; R266-E392 VanDerWaalsContact CB-OE1 3.3Å; R266-E392 WeakPolarHBondContact CB-OE1 3.18Å; R266-E392 WeakPolarHBondContact CD-OE1 3.3Å; R266-E392 IonicContact CZ-OE1 2.89Å; R266-E392 IonicContact NE-OE1 3.52Å; R266-E392 PolarHBondContact NE-OE1 3.45Å; R266-E392 IonicContact NH1-OE1 3.61Å; R266-E392 PolarHBondContact NH1-OE1 3.49Å; R266-E392 IonicContact NH1-OE2 2.94Å; R266-E392 IonicContact NH2-OE1 3.24Å; M388-E392 PolarHBondContact O-N 2.88Å; V389-E392 PolarHBondContact O-N 2.99Å; E392-F394 PolarHBondContact O-N 3.42Å; E392-T395 PolarHBondContact O-OG1 3.37Å; E392-S396 VanDerWaalsContact O-CB 3.25Å; E392-S396 WeakPolarHBondContact O-CB 3.36Å; E392-S396 PolarHBondContact O-N 3.2Å; E392-S396 PolarHBondContact O-OG 2.83Å
393	Y	91.7	Very high	92.2	Very high	60 Å²	60	46.6 Å²	46.6	24%	0.235	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-39.8	-172.7	-172.7	-94	0	0	0	112.3	C158 P201 L391 N397 W399	C158-Y393 HydrophobicContact CB-CE1 4.04Å; C158-Y393 PolarHBondContact O-OH 3.4Å; C158-Y393 VanDerWaalsContact O-OH 3.12Å; P201-Y393 HydrophobicContact CB-CD1 3.88Å; P201-Y393 HydrophobicContact CB-CD2 3.92Å; P201-Y393 HydrophobicContact CB-CE1 4.43Å; P201-Y393 HydrophobicContact CB-CE2 4.49Å; P201-Y393 HydrophobicContact CB-CG 3.57Å; P201-Y393 HydrophobicContact CG-CD1 3.56Å; P201-Y393 HydrophobicContact CG-CD2 4.4Å; P201-Y393 HydrophobicContact CG-CE1 3.88Å; P201-Y393 HydrophobicContact CG-CG 3.82Å; L391-Y393 VanDerWaalsContact C-N 3.29Å; L391-Y393 PolarHBondContact O-N 2.91Å; Y393-N397 WeakPolarHBondContact O-CB 3.31Å; Y393-N397 PolarHBondContact O-N 2.83Å; Y393-N397 PolarHBondContact O-ND2 3.26Å; Y393-W399 HydrophobicContact CD1-CH2 4.03Å; Y393-W399 AromaticContact CD1-CZ2 3.94Å; Y393-W399 HydrophobicContact CD1-CZ2 3.94Å; Y393-W399 HydrophobicContact CE1-CH2 4.04Å; Y393-W399 AromaticContact CE1-CZ2 3.46Å; Y393-W399 HydrophobicContact CE1-CZ2 3.46Å; Y393-W399 VanDerWaalsContact CE1-CZ2 3.46Å
394	F	92.4	Very high	92.5	Very high	10 Å²	10	42.1 Å²	42.1	4%	0.044	23%	0.225	C	C	.	.	H	α-helix	trans	-79.1	-30.1	-178.6	-51.4	-76.7	0	0	0	113.3	Y155 P201 I205 W315 L391 E392 S396 W399	Y155-F394 AromaticContact CD1-CD1 3.58Å; Y155-F394 HydrophobicContact CD1-CD1 3.58Å; Y155-F394 AromaticContact CD1-CE1 3.58Å; Y155-F394 HydrophobicContact CD1-CE1 3.58Å; Y155-F394 HydrophobicContact CD2-CD1 4.37Å; Y155-F394 HydrophobicContact CD2-CE1 4.1Å; Y155-F394 AromaticContact CE1-CD1 3.66Å; Y155-F394 HydrophobicContact CE1-CD1 3.66Å; Y155-F394 HydrophobicContact CE1-CE1 4.13Å; Y155-F394 HydrophobicContact CE2-CD1 4.42Å; Y155-F394 AromaticContact CG-CD1 3.96Å; Y155-F394 HydrophobicContact CG-CD1 3.96Å; Y155-F394 AromaticContact CG-CE1 3.56Å; Y155-F394 HydrophobicContact CG-CE1 3.56Å; P201-F394 HydrophobicContact CG-CZ 4.09Å; I205-F394 HydrophobicContact CD1-CE1 3.68Å; I205-F394 HydrophobicContact CD1-CZ 3.36Å; I205-F394 HydrophobicContact CG1-CZ 4.49Å; W315-F394 PolarHBondContact NE1-O 3.03Å; L391-F394 WeakPolarHBondContact O-CA 3.41Å; L391-F394 PolarHBondContact O-N 3.06Å; E392-F394 PolarHBondContact O-N 3.42Å; F394-S396 VanDerWaalsContact C-N 3.32Å; F394-W399 HydrophobicContact CD1-CH2 4.09Å; F394-W399 HydrophobicContact CD1-CZ3 4.46Å
395	T	93.3	Very high	92.7	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-83.1	-12.6	178.7	58.6	0	0	0	0	112.9	M265 R266 A267 S268 W315 L391 E392	M265-T395 HydrophobicContact CE-CG2 3.76Å; R266-T395 PolarHBondContact O-OG1 2.97Å; A267-T395 WeakPolarHBondContact CA-O 3.43Å; A267-T395 WeakPolarHBondContact CB-O 3.35Å; S268-T395 PolarHBondContact N-O 2.89Å; W315-T395 HydrophobicContact CD2-CG2 4.33Å; W315-T395 HydrophobicContact CH2-CG2 4.34Å; W315-T395 HydrophobicContact CZ2-CG2 3.99Å; L391-T395 HydrophobicContact CB-CG2 4.33Å; L391-T395 PolarHBondContact O-N 3.33Å; L391-T395 PolarHBondContact O-OG1 3.15Å; E392-T395 PolarHBondContact O-OG1 3.37Å
396	S	93.1	Very high	92.9	Very high	28 Å²	28	42.3 Å²	42.3	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-108.7	-13.6	-176.8	-54.9	0	0	0	0	114.3	E392 F394	E392-S396 VanDerWaalsContact O-CB 3.25Å; E392-S396 WeakPolarHBondContact O-CB 3.36Å; E392-S396 PolarHBondContact O-N 3.2Å; E392-S396 PolarHBondContact O-OG 2.83Å; F394-S396 VanDerWaalsContact C-N 3.32Å
397	N	93.5	Very high	93.3	Very high	68 Å²	68	38 Å²	38	36%	0.364	21%	0.211	S	C	.	.			trans	-122.5	167	-175.6	-65.1	-76	0	0	0	111.4	Y393 W399	Y393-N397 WeakPolarHBondContact O-CB 3.31Å; Y393-N397 PolarHBondContact O-N 2.83Å; Y393-N397 PolarHBondContact O-ND2 3.26Å; N397-W399 HydrophobicContact CB-CH2 3.57Å; N397-W399 HydrophobicContact CB-CZ2 3.69Å; N397-W399 HydrophobicContact CB-CZ3 4.18Å
398	S	94.7	Very high	93.8	Very high	45 Å²	45	38.4 Å²	38.4	32%	0.315	21%	0.206	S	C	.	.			trans	-142.5	151	176.4	-56.8	0	0	0	0	110.2	A271 L272	A271-S398 WeakPolarHBondContact CA-OG 3.22Å; A271-S398 WeakPolarHBondContact CB-OG 3.49Å; L272-S398 PolarHBondContact N-OG 2.91Å
399	W	95.4	Very high	94.1	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.038	21%	0.206	C	C	.	.			trans	-127.9	156.8	-173.6	-65	-85.7	0	0	0	110.1	Y155 C158 I163 Y393 F394 N397 W401	Y155-W399 HydrophobicContact CD1-CE3 4.33Å; Y155-W399 HydrophobicContact CD1-CH2 4.43Å; Y155-W399 HydrophobicContact CD1-CZ3 4.26Å; Y155-W399 HydrophobicContact CE1-CD2 4.34Å; Y155-W399 AromaticContact CE1-CE3 3.72Å; Y155-W399 HydrophobicContact CE1-CE3 3.72Å; Y155-W399 HydrophobicContact CE1-CH2 4.22Å; Y155-W399 AromaticContact CE1-CZ3 3.65Å; Y155-W399 HydrophobicContact CE1-CZ3 3.65Å; C158-W399 HydrophobicContact CB-CZ2 3.89Å; C158-W399 PolarHBondContact O-NE1 3.44Å; I163-W399 HydrophobicContact CD1-CG 4.32Å; Y393-W399 HydrophobicContact CD1-CH2 4.03Å; Y393-W399 AromaticContact CD1-CZ2 3.94Å; Y393-W399 HydrophobicContact CD1-CZ2 3.94Å; Y393-W399 HydrophobicContact CE1-CH2 4.04Å; Y393-W399 AromaticContact CE1-CZ2 3.46Å; Y393-W399 HydrophobicContact CE1-CZ2 3.46Å; Y393-W399 VanDerWaalsContact CE1-CZ2 3.46Å; F394-W399 HydrophobicContact CD1-CH2 4.09Å; F394-W399 HydrophobicContact CD1-CZ3 4.46Å; N397-W399 HydrophobicContact CB-CH2 3.57Å; N397-W399 HydrophobicContact CB-CZ2 3.69Å; N397-W399 HydrophobicContact CB-CZ3 4.18Å; W399-W401 HydrophobicContact CB-CD2 4.15Å; W399-W401 HydrophobicContact CB-CH2 3.76Å; W399-W401 HydrophobicContact CB-CZ2 3.34Å; W399-W401 HydrophobicContact CB-CZ3 4.33Å; W399-W401 HydrophobicContact CD2-CH2 4.28Å; W399-W401 HydrophobicContact CD2-CZ2 4.03Å; W399-W401 HydrophobicContact CE3-CZ2 4.12Å; W399-W401 AromaticContact CG-CH2 3.84Å; W399-W401 HydrophobicContact CG-CH2 3.84Å; W399-W401 AromaticContact CG-CZ2 3.71Å; W399-W401 HydrophobicContact CG-CZ2 3.71Å
400	V	95.9	Very high	94.5	Very high	68 Å²	68	35.2 Å²	35.2	41%	0.412	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.9	171.5	-179.6	0	0	0	0	107.3	K161 H162 I163	K161-V400 PolarHBondContact O-N 3.44Å; H162-V400 WeakPolarHBondContact CA-O 2.93Å; H162-V400 WeakPolarHBondContact ND1-CB 3.38Å; I163-V400 PolarHBondContact N-O 3.08Å
401	W	95.8	Very high	95.1	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.019	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.6	179.4	-46	107.5	0	0	0	108.9	A154 Y155 I163 D274 T306 S309 W399 T403	A154-W401 HydrophobicContact CB-CD2 4.46Å; A154-W401 HydrophobicContact CB-CE3 4.08Å; A154-W401 HydrophobicContact CB-CH2 3.85Å; A154-W401 HydrophobicContact CB-CZ2 4.22Å; A154-W401 HydrophobicContact CB-CZ3 3.76Å; A154-W401 WeakPolarHBondContact O-CH2 3.41Å; A154-W401 WeakPolarHBondContact O-CZ3 3.41Å; Y155-W401 AromaticContact CD1-CH2 3.94Å; Y155-W401 HydrophobicContact CD1-CH2 3.94Å; Y155-W401 HydrophobicContact CD1-CZ2 4.16Å; Y155-W401 HydrophobicContact CE1-CH2 4.11Å; Y155-W401 AromaticContact CE1-CZ2 3.84Å; Y155-W401 HydrophobicContact CE1-CZ2 3.84Å; I163-W401 HydrophobicContact CB-CE3 3.76Å; I163-W401 HydrophobicContact CB-CZ3 3.82Å; I163-W401 HydrophobicContact CD1-CE3 3.92Å; I163-W401 HydrophobicContact CD1-CH2 3.66Å; I163-W401 HydrophobicContact CD1-CZ3 3.15Å; I163-W401 HydrophobicContact CG1-CE3 4.4Å; I163-W401 HydrophobicContact CG1-CZ3 4.03Å; I163-W401 HydrophobicContact CG2-CE3 3.99Å; I163-W401 HydrophobicContact CG2-CZ3 3.91Å; D274-W401 PolarHBondContact OD1-NE1 3.35Å; D274-W401 PolarHBondContact OD2-NE1 2.95Å; T306-W401 HydrophobicContact CG2-CB 4.2Å; T306-W401 HydrophobicContact CG2-CD2 3.91Å; T306-W401 HydrophobicContact CG2-CE3 4.46Å; T306-W401 HydrophobicContact CG2-CG 3.74Å; T306-W401 WeakPolarHBondContact OG1-CB 3.42Å; S309-W401 PolarHBondContact OG-N 2.7Å; S309-W401 PolarHBondContact OG-O 3.44Å; W399-W401 HydrophobicContact CB-CD2 4.15Å; W399-W401 HydrophobicContact CB-CH2 3.76Å; W399-W401 HydrophobicContact CB-CZ2 3.34Å; W399-W401 HydrophobicContact CB-CZ3 4.33Å; W399-W401 HydrophobicContact CD2-CH2 4.28Å; W399-W401 HydrophobicContact CD2-CZ2 4.03Å; W399-W401 HydrophobicContact CE3-CZ2 4.12Å; W399-W401 AromaticContact CG-CH2 3.84Å; W399-W401 HydrophobicContact CG-CH2 3.84Å; W399-W401 AromaticContact CG-CZ2 3.71Å; W399-W401 HydrophobicContact CG-CZ2 3.71Å; W401-T403 HydrophobicContact CB-CG2 4.3Å
402	N	96.9	Very high	95.5	Very high	47 Å²	47	39.7 Å²	39.7	25%	0.251	21%	0.211	S	C	.	.			trans	-69.3	136.8	160.7	-174.6	-62	0	0	0	108	I163 E165 N304 D404	I163-N402 PolarHBondContact O-N 3.44Å; E165-N402 WeakPolarHBondContact CG-O 3.35Å; N304-N402 VanDerWaalsContact CB-O 3.26Å; N304-N402 WeakPolarHBondContact CB-O 3.45Å; N304-N402 PolarHBondContact ND2-O 3.26Å; N402-D404 PolarHBondContact ND2-OD2 3.29Å; N402-D404 WeakPolarHBondContact OD1-CB 3.46Å; N402-D404 PolarHBondContact OD1-N 3.29Å; N402-D404 PolarHBondContact OD1-OD2 2.79Å
403	T	96.7	Very high	95.8	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.074	21%	0.206	C	C	.	.			trans	-133.5	29	-179.7	65.2	0	0	0	0	111.6	N304 W401 N405 V406 N407	N304-T403 HydrophobicContact CB-CG2 4.42Å; W401-T403 HydrophobicContact CB-CG2 4.3Å; T403-N405 PolarHBondContact O-N 3.19Å; T403-V406 PolarHBondContact O-N 3.21Å; T403-N407 PolarHBondContact O-N 2.89Å; T403-N407 PolarHBondContact O-ND2 2.98Å; T403-N407 VanDerWaalsContact O-ND2 3.16Å; T403-N407 PolarHBondContact OG1-ND2 3.29Å
404	D	97.1	Very high	96.1	Very high	100 Å²	100	38.1 Å²	38.1	54%	0.535	21%	0.208	S	C	.	.	H	α-helix	trans	-64.3	-40.5	-173.2	-68.5	-23.9	0	0	0	111.9	E165 N402 N407 M408	E165-D404 PolarHBondContact OE2-N 2.84Å; E165-D404 VanDerWaalsContact OE2-N 3.12Å; N402-D404 PolarHBondContact ND2-OD2 3.29Å; N402-D404 WeakPolarHBondContact OD1-CB 3.46Å; N402-D404 PolarHBondContact OD1-N 3.29Å; N402-D404 PolarHBondContact OD1-OD2 2.79Å; D404-N407 PolarHBondContact O-N 2.85Å; D404-M408 WeakPolarHBondContact O-CB 3.32Å; D404-M408 PolarHBondContact O-N 3.38Å
405	N	98.1	Very high	96.3	Very high	36 Å²	36	42.6 Å²	42.6	19%	0.193	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-35.3	174.4	-63.5	-29.8	0	0	0	111.7	E165 M301 V302 Y303 T403 M408 L409	E165-N405 WeakPolarHBondContact CB-ND2 3.12Å; E165-N405 WeakPolarHBondContact OE2-CA 3.39Å; E165-N405 WeakPolarHBondContact OE2-CB 3.47Å; E165-N405 VanDerWaalsContact OE2-CG 3.26Å; E165-N405 PolarHBondContact OE2-N 3.02Å; E165-N405 PolarHBondContact OE2-ND2 3.42Å; M301-N405 HydrophobicContact CE-CB 3.92Å; M301-N405 WeakPolarHBondContact CE-OD1 3.45Å; V302-N405 WeakPolarHBondContact O-CB 3.43Å; V302-N405 PolarHBondContact O-ND2 2.94Å; Y303-N405 HydrophobicContact CD1-CB 3.71Å; Y303-N405 HydrophobicContact CE1-CB 3.76Å; Y303-N405 WeakPolarHBondContact CE1-O 3.48Å; T403-N405 PolarHBondContact O-N 3.19Å; N405-M408 PolarHBondContact O-N 3.36Å; N405-L409 VanDerWaalsContact O-CB 3.25Å; N405-L409 WeakPolarHBondContact O-CB 3.48Å; N405-L409 PolarHBondContact O-N 3.18Å
406	V	97.4	Very high	96.5	Very high	14 Å²	14	48.3 Å²	48.3	9%	0.085	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-43.4	172.7	177.6	0	0	0	0	110.5	Y303 T403 L409 M410	Y303-V406 HydrophobicContact CD1-CG2 4.24Å; T403-V406 PolarHBondContact O-N 3.21Å; V406-L409 PolarHBondContact O-N 3.5Å; V406-M410 HydrophobicContact CG1-CE 4.44Å; V406-M410 WeakPolarHBondContact O-CG 3.39Å; V406-M410 PolarHBondContact O-N 3Å
407	N	97.1	Very high	96.7	Very high	47 Å²	47	47.2 Å²	47.2	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-43.1	175.6	-71.9	-38.9	0	0	0	112	T403 D404 M410 N411	T403-N407 PolarHBondContact O-N 2.89Å; T403-N407 PolarHBondContact O-ND2 2.98Å; T403-N407 VanDerWaalsContact O-ND2 3.16Å; T403-N407 PolarHBondContact OG1-ND2 3.29Å; D404-N407 PolarHBondContact O-N 2.85Å; N407-M410 HydrophobicContact CB-CE 4.37Å; N407-M410 WeakPolarHBondContact O-CB 3.31Å; N407-M410 PolarHBondContact O-N 3.32Å; N407-M410 WeakPolarHBondContact OD1-CE 3.46Å; N407-N411 VanDerWaalsContact O-CG 3.29Å; N407-N411 PolarHBondContact O-N 2.98Å; N407-N411 PolarHBondContact O-ND2 2.9Å
408	M	97.4	Very high	96.9	Very high	49 Å²	49	48.4 Å²	48.4	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-49.4	172.8	178.1	-142.7	66.3	0	0	110.5	Y291 M301 Y303 D404 N405 M410 N411 Q412	Y291-M408 HydrophobicContact CD1-CE 4.12Å; Y291-M408 HydrophobicContact CE1-CE 3.59Å; Y291-M408 HydrophobicContact CE1-SD 4.31Å; Y291-M408 HydrophobicContact CE2-CE 4.05Å; Y291-M408 PolarHBondContact OH-SD 3.25Å; M301-M408 HydrophobicContact CE-CE 3.72Å; M301-M408 HydrophobicContact CE-SD 4.04Å; Y303-M408 HydrophobicContact CE1-CE 4.35Å; D404-M408 WeakPolarHBondContact O-CB 3.32Å; D404-M408 PolarHBondContact O-N 3.38Å; N405-M408 PolarHBondContact O-N 3.36Å; M408-M410 VanDerWaalsContact C-N 3.35Å; M408-M410 PolarHBondContact O-N 3.48Å; M408-N411 WeakPolarHBondContact O-CB 3.46Å; M408-N411 PolarHBondContact O-N 3.37Å; M408-Q412 WeakPolarHBondContact O-CG 3.3Å; M408-Q412 PolarHBondContact O-N 2.78Å
409	L	97.9	Very high	97	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-45.8	179.9	-177.7	62.5	0	0	0	111.6	T284 A287 A288 Y291 Y303 N405 V406 N411 Q412 I423	T284-L409 HydrophobicContact CG2-CD2 4.42Å; A287-L409 HydrophobicContact CB-CD1 4.18Å; A287-L409 HydrophobicContact CB-CD2 3.91Å; A287-L409 HydrophobicContact CB-CG 4.14Å; A288-L409 HydrophobicContact CB-CD2 4.15Å; Y291-L409 HydrophobicContact CD2-CD1 4.35Å; Y291-L409 HydrophobicContact CG-CD1 3.97Å; Y303-L409 HydrophobicContact CD1-CB 4.49Å; Y303-L409 HydrophobicContact CD1-CD2 4.14Å; Y303-L409 HydrophobicContact CE1-CB 3.98Å; Y303-L409 HydrophobicContact CE1-CD2 3.93Å; Y303-L409 HydrophobicContact CE1-CG 4.43Å; N405-L409 VanDerWaalsContact O-CB 3.25Å; N405-L409 WeakPolarHBondContact O-CB 3.48Å; N405-L409 PolarHBondContact O-N 3.18Å; V406-L409 PolarHBondContact O-N 3.5Å; L409-N411 PolarHBondContact O-N 3.25Å; L409-Q412 PolarHBondContact O-N 2.89Å; L409-Q412 VanDerWaalsContact O-N 3.12Å; L409-I423 HydrophobicContact CD2-CD1 4.15Å; L409-I423 HydrophobicContact CG-CD1 4.19Å
410	M	96.6	Very high	97	Very high	20 Å²	20	55.6 Å²	55.6	10%	0.099	29%	0.288	C	S	.	.	H	α-helix	trans	-54.5	-40.1	174	-80.2	-169.3	-65.7	0	0	112.9	V406 N407 M408 Q412 L413 K418 I423 D424	V406-M410 HydrophobicContact CG1-CE 4.44Å; V406-M410 WeakPolarHBondContact O-CG 3.39Å; V406-M410 PolarHBondContact O-N 3Å; N407-M410 HydrophobicContact CB-CE 4.37Å; N407-M410 WeakPolarHBondContact O-CB 3.31Å; N407-M410 PolarHBondContact O-N 3.32Å; N407-M410 WeakPolarHBondContact OD1-CE 3.46Å; M408-M410 VanDerWaalsContact C-N 3.35Å; M408-M410 PolarHBondContact O-N 3.48Å; M410-Q412 VanDerWaalsContact C-N 3.29Å; M410-Q412 PolarHBondContact O-N 2.95Å; M410-L413 PolarHBondContact O-N 3.17Å; M410-K418 WeakPolarHBondContact O-CE 3.19Å; M410-I423 HydrophobicContact CB-CD1 4.37Å; M410-I423 HydrophobicContact CG-CD1 3.35Å; M410-I423 HydrophobicContact CG-CG1 3.34Å; M410-I423 HydrophobicContact SD-CG1 4.07Å; M410-D424 HydrophobicContact SD-CB 3.87Å
411	N	96.7	Very high	97.1	Very high	120 Å²	120	52.3 Å²	52.3	64%	0.642	27%	0.268	S	S	*	.	H	α-helix	trans	-73.3	-22	-177.5	-69.7	-27.1	0	0	0	113.1	N407 M408 L409	N407-N411 VanDerWaalsContact O-CG 3.29Å; N407-N411 PolarHBondContact O-N 2.98Å; N407-N411 PolarHBondContact O-ND2 2.9Å; M408-N411 WeakPolarHBondContact O-CB 3.46Å; M408-N411 PolarHBondContact O-N 3.37Å; L409-N411 PolarHBondContact O-N 3.25Å
412	Q	97.1	Very high	97.2	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-80.7	-19.5	177.5	-63.4	-64.3	-31.8	0	0	113.2	W290 Y291 M408 L409 M410	W290-Q412 HydrophobicContact CH2-CB 4.09Å; W290-Q412 HydrophobicContact CZ3-CB 4.06Å; Y291-Q412 HydrophobicContact CD2-CB 4.28Å; Y291-Q412 HydrophobicContact CD2-CG 4.04Å; Y291-Q412 HydrophobicContact CE2-CB 4.47Å; Y291-Q412 HydrophobicContact CE2-CG 3.75Å; M408-Q412 WeakPolarHBondContact O-CG 3.3Å; M408-Q412 PolarHBondContact O-N 2.78Å; L409-Q412 PolarHBondContact O-N 2.89Å; L409-Q412 VanDerWaalsContact O-N 3.12Å; M410-Q412 VanDerWaalsContact C-N 3.29Å; M410-Q412 PolarHBondContact O-N 2.95Å
413	L	97.3	Very high	97.3	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	-70.1	133.3	179.1	-59.7	-178.5	0	0	0	111.2	I4 A287 W290 M410 D417 K418 I423	I4-L413 HydrophobicContact CD1-CD2 3.6Å; I4-L413 HydrophobicContact CG1-CD2 4.3Å; A287-L413 HydrophobicContact CB-CD2 4.22Å; W290-L413 HydrophobicContact CE3-CD2 4.13Å; W290-L413 HydrophobicContact CH2-CD2 4.43Å; W290-L413 HydrophobicContact CZ3-CD2 3.8Å; M410-L413 PolarHBondContact O-N 3.17Å; L413-D417 HydrophobicContact CB-CB 4.25Å; L413-D417 HydrophobicContact CD2-CB 4.27Å; L413-K418 HydrophobicContact CB-CD 4.49Å; L413-K418 HydrophobicContact CB-CG 3.56Å; L413-K418 HydrophobicContact CD1-CG 4.35Å; L413-K418 WeakPolarHBondContact O-CE 3.28Å; L413-I423 HydrophobicContact CD1-CD1 4.38Å; L413-I423 HydrophobicContact CD1-CG1 4.45Å
414	N	97.1	Very high	97.3	Very high	49 Å²	49	51.5 Å²	51.5	26%	0.262	26%	0.264	S	S	.	.			trans	-68.3	166.5	168.3	69.9	51	0	0	0	110.5	E416 D417 K418	N414-E416 VanDerWaalsContact C-N 3.34Å; N414-E416 PolarHBondContact O-N 3.21Å; N414-E416 PolarHBondContact OD1-N 3.31Å; N414-E416 VanDerWaalsContact OD1-N 3.13Å; N414-D417 PolarHBondContact ND2-OD2 3.35Å; N414-D417 PolarHBondContact O-N 2.8Å; N414-D417 WeakPolarHBondContact OD1-CB 2.93Å; N414-D417 PolarHBondContact OD1-N 2.97Å; N414-K418 WeakPolarHBondContact O-CG 3.3Å; N414-K418 PolarHBondContact O-N 3.41Å
415	P	97.2	Very high	97.3	Very high	104 Å²	104	47.2 Å²	47.2	68%	0.675	24%	0.241	S	C	*	.	H	α-helix	trans	-57.3	-39.2	-176.1	-28	36.8	0	0	0	115.2	K418 K419	P415-K418 PolarHBondContact O-N 2.95Å; P415-K419 PolarHBondContact O-N 3.42Å
416	E	97.4	Very high	97.2	Very high	123 Å²	123	52.5 Å²	52.5	58%	0.575	26%	0.258	S	S	*	.	H	α-helix	trans	-72	-38.3	179.4	-69	-54.7	134	0	0	112	N414 K419 T420	N414-E416 VanDerWaalsContact C-N 3.34Å; N414-E416 PolarHBondContact O-N 3.21Å; N414-E416 PolarHBondContact OD1-N 3.31Å; N414-E416 VanDerWaalsContact OD1-N 3.13Å; E416-K419 WeakPolarHBondContact O-CB 3.4Å; E416-K419 PolarHBondContact O-N 3.42Å; E416-T420 WeakPolarHBondContact O-CB 3.47Å; E416-T420 PolarHBondContact O-N 2.94Å; E416-T420 PolarHBondContact O-OG1 3.08Å
417	D	98	Very high	97.2	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-34.8	174.4	-76.1	-29.5	0	0	0	111.6	S3 I4 P5 L413 N414 K419 T420 F421	S3-D417 VanDerWaalsContact CA-OD2 3.31Å; S3-D417 WeakPolarHBondContact CA-OD2 3.28Å; S3-D417 WeakPolarHBondContact CB-OD2 3.37Å; I4-D417 HydrophobicContact CD1-CB 4.28Å; I4-D417 HydrophobicContact CG1-CB 4.49Å; I4-D417 PolarHBondContact N-OD2 2.99Å; P5-D417 WeakPolarHBondContact CD-OD1 3.45Å; L413-D417 HydrophobicContact CB-CB 4.25Å; L413-D417 HydrophobicContact CD2-CB 4.27Å; N414-D417 PolarHBondContact ND2-OD2 3.35Å; N414-D417 PolarHBondContact O-N 2.8Å; N414-D417 WeakPolarHBondContact OD1-CB 2.93Å; N414-D417 PolarHBondContact OD1-N 2.97Å; D417-K419 PolarHBondContact O-N 2.6Å; D417-T420 PolarHBondContact O-N 2.81Å; D417-F421 HydrophobicContact CB-CD2 4.45Å; D417-F421 CarbonylContact O-C 3.53Å; D417-F421 WeakPolarHBondContact O-CA 3.49Å; D417-F421 WeakPolarHBondContact O-CB 3.45Å; D417-F421 PolarHBondContact O-N 3.05Å
418	K	97.1	Very high	97.2	Very high	94 Å²	94	54.9 Å²	54.9	41%	0.409	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-34.7	171.7	-76.6	177.4	173.4	165	0	112.2	M410 L413 N414 P415 N422	M410-K418 WeakPolarHBondContact O-CE 3.19Å; L413-K418 HydrophobicContact CB-CD 4.49Å; L413-K418 HydrophobicContact CB-CG 3.56Å; L413-K418 HydrophobicContact CD1-CG 4.35Å; L413-K418 WeakPolarHBondContact O-CE 3.28Å; N414-K418 WeakPolarHBondContact O-CG 3.3Å; N414-K418 PolarHBondContact O-N 3.41Å; P415-K418 PolarHBondContact O-N 2.95Å; K418-N422 VanDerWaalsContact O-CA 3.25Å; K418-N422 WeakPolarHBondContact O-CA 3.48Å; K418-N422 WeakPolarHBondContact O-CB 3.44Å; K418-N422 PolarHBondContact O-N 3.13Å
419	K	96.3	Very high	97.2	Very high	158 Å²	158	58.1 Å²	58.1	69%	0.687	28%	0.282	S	S	*	.	H	α-helix	trans	-75.8	-46.5	177.1	-175.3	-177	176.5	-172	0	111.3	P415 E416 D417	P415-K419 PolarHBondContact O-N 3.42Å; E416-K419 WeakPolarHBondContact O-CB 3.4Å; E416-K419 PolarHBondContact O-N 3.42Å; D417-K419 PolarHBondContact O-N 2.6Å
420	T	97	Very high	97.2	Very high	47 Å²	47	59.1 Å²	59.1	29%	0.288	29%	0.285	S	S	.	.	H	α-helix	trans	-77.4	-43.2	-173.9	-56.1	0	0	0	0	112.1	K29 E416 D417	K29-T420 WeakPolarHBondContact CE-O 3.39Å; K29-T420 PolarHBondContact NZ-O 3.12Å; E416-T420 WeakPolarHBondContact O-CB 3.47Å; E416-T420 PolarHBondContact O-N 2.94Å; E416-T420 PolarHBondContact O-OG1 3.08Å; D417-T420 PolarHBondContact O-N 2.81Å
421	F	98	Very high	97.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	52.3	179.7	-56.7	-83.7	0	0	0	109.8	I4 P5 S33 N283 L286 D417 I423	I4-F421 HydrophobicContact CB-CD2 3.92Å; I4-F421 HydrophobicContact CB-CE2 3.66Å; I4-F421 HydrophobicContact CB-CZ 4.21Å; I4-F421 HydrophobicContact CD1-CB 3.94Å; I4-F421 HydrophobicContact CD1-CD2 3.59Å; I4-F421 HydrophobicContact CD1-CE2 4.23Å; I4-F421 HydrophobicContact CD1-CG 3.77Å; I4-F421 HydrophobicContact CG1-CD2 4.31Å; I4-F421 HydrophobicContact CG2-CD1 4.44Å; I4-F421 HydrophobicContact CG2-CD2 3.98Å; I4-F421 HydrophobicContact CG2-CE1 4.04Å; I4-F421 HydrophobicContact CG2-CE2 3.54Å; I4-F421 HydrophobicContact CG2-CG 4.41Å; I4-F421 HydrophobicContact CG2-CZ 3.56Å; P5-F421 HydrophobicContact CG-CE2 4.09Å; P5-F421 HydrophobicContact CG-CZ 4.47Å; S33-F421 VanDerWaalsContact CB-CZ 3.49Å; N283-F421 HydrophobicContact CB-CB 4.22Å; L286-F421 HydrophobicContact CB-CD1 4.32Å; L286-F421 HydrophobicContact CB-CE1 4.41Å; L286-F421 HydrophobicContact CD1-CD1 4.1Å; L286-F421 HydrophobicContact CD1-CE1 3.77Å; D417-F421 HydrophobicContact CB-CD2 4.45Å; D417-F421 CarbonylContact O-C 3.53Å; D417-F421 WeakPolarHBondContact O-CA 3.49Å; D417-F421 WeakPolarHBondContact O-CB 3.45Å; D417-F421 PolarHBondContact O-N 3.05Å; F421-I423 PolarHBondContact O-N 3.48Å
422	N	97.5	Very high	97.3	Very high	14 Å²	14	59 Å²	59	8%	0.075	29%	0.285	C	S	.	.			trans	-61.9	122.5	-178	-175.9	32.7	0	0	0	111.4	W236 K237 N283 K418 D424 Q427	W236-N422 WeakPolarHBondContact CZ3-ND2 3.37Å; K237-N422 PolarHBondContact NZ-ND2 2.96Å; K237-N422 VanDerWaalsContact NZ-ND2 3.17Å; N283-N422 PolarHBondContact ND2-N 3.26Å; N283-N422 PolarHBondContact ND2-O 2.98Å; K418-N422 VanDerWaalsContact O-CA 3.25Å; K418-N422 WeakPolarHBondContact O-CA 3.48Å; K418-N422 WeakPolarHBondContact O-CB 3.44Å; K418-N422 PolarHBondContact O-N 3.13Å; N422-D424 PolarHBondContact OD1-N 3.32Å; N422-D424 VanDerWaalsContact OD1-N 3.15Å; N422-Q427 PolarHBondContact ND2-OE1 3.05Å
423	I	97.5	Very high	97.3	Very high	6 Å²	6	56 Å²	56	3%	0.031	27%	0.272	C	S	.	.			trans	-120.8	3.3	176.3	59.7	172.6	0	0	0	112.4	N283 T284 L409 M410 L413 F421 V425	N283-I423 HydrophobicContact CB-CG2 3.5Å; N283-I423 VanDerWaalsContact CB-CG2 3.5Å; T284-I423 VanDerWaalsContact N-CG2 3.34Å; T284-I423 VanDerWaalsContact OG1-CG2 3.29Å; T284-I423 WeakPolarHBondContact OG1-CG2 3.07Å; L409-I423 HydrophobicContact CD2-CD1 4.15Å; L409-I423 HydrophobicContact CG-CD1 4.19Å; M410-I423 HydrophobicContact CB-CD1 4.37Å; M410-I423 HydrophobicContact CG-CD1 3.35Å; M410-I423 HydrophobicContact CG-CG1 3.34Å; M410-I423 HydrophobicContact SD-CG1 4.07Å; L413-I423 HydrophobicContact CD1-CD1 4.38Å; L413-I423 HydrophobicContact CD1-CG1 4.45Å; F421-I423 PolarHBondContact O-N 3.48Å; I423-V425 PolarHBondContact O-N 2.97Å
424	D	97.3	Very high	97.4	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.144	27%	0.27	C	S	.	.			trans	-81.8	97.5	-179.6	-172.6	-3.7	0	0	0	111.5	M410 N422 R426 Q427	M410-D424 HydrophobicContact SD-CB 3.87Å; N422-D424 PolarHBondContact OD1-N 3.32Å; N422-D424 VanDerWaalsContact OD1-N 3.15Å; D424-R426 VanDerWaalsContact C-N 3.26Å; D424-R426 VanDerWaalsContact CG-NH2 3.28Å; D424-R426 PolarHBondContact O-N 2.9Å; D424-R426 VanDerWaalsContact OD1-CB 3.27Å; D424-R426 WeakPolarHBondContact OD1-CB 3.17Å; D424-R426 WeakPolarHBondContact OD1-CG 3.38Å; D424-R426 IonicContact OD1-CZ 3.53Å; D424-R426 PolarHBondContact OD1-N 2.85Å; D424-R426 IonicContact OD1-NE 3.43Å; D424-R426 PolarHBondContact OD1-NE 3.31Å; D424-R426 IonicContact OD1-NH2 2.8Å; D424-R426 PolarHBondContact OD1-NH2 2.91Å; D424-R426 IonicContact OD2-CZ 3.06Å; D424-R426 IonicContact OD2-NE 3.5Å; D424-R426 PolarHBondContact OD2-NE 3.39Å; D424-R426 IonicContact OD2-NH2 2.78Å; D424-R426 PolarHBondContact OD2-NH2 3.46Å; D424-Q427 PolarHBondContact OD2-NE2 3.32Å
425	V	96.8	Very high	97.4	Very high	10 Å²	10	56.1 Å²	56.1	6%	0.061	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-74.7	-9.9	-179.7	-61.5	0	0	0	0	113.9	V280 T307 T310 N311 I423 Q427 L428	V280-V425 HydrophobicContact CG1-CG1 3.72Å; V280-V425 HydrophobicContact CG2-CG1 4.26Å; T307-V425 HydrophobicContact CG2-CB 4Å; T307-V425 HydrophobicContact CG2-CG1 3.95Å; T307-V425 HydrophobicContact CG2-CG2 4.17Å; T310-V425 WeakPolarHBondContact OG1-CG2 3.29Å; N311-V425 PolarHBondContact ND2-O 2.91Å; I423-V425 PolarHBondContact O-N 2.97Å; V425-Q427 PolarHBondContact O-N 3.35Å; V425-L428 WeakPolarHBondContact O-CB 3.41Å; V425-L428 PolarHBondContact O-N 3.35Å; V425-L428 VanDerWaalsContact O-N 3.08Å
426	R	96.6	Very high	97.4	Very high	146 Å²	146	53.4 Å²	53.4	55%	0.551	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-66.7	-22.2	176.2	-61.7	167.8	-66.3	-167.4	2.3	112.1	D424 L428	D424-R426 VanDerWaalsContact C-N 3.26Å; D424-R426 VanDerWaalsContact CG-NH2 3.28Å; D424-R426 PolarHBondContact O-N 2.9Å; D424-R426 VanDerWaalsContact OD1-CB 3.27Å; D424-R426 WeakPolarHBondContact OD1-CB 3.17Å; D424-R426 WeakPolarHBondContact OD1-CG 3.38Å; D424-R426 IonicContact OD1-CZ 3.53Å; D424-R426 PolarHBondContact OD1-N 2.85Å; D424-R426 IonicContact OD1-NE 3.43Å; D424-R426 PolarHBondContact OD1-NE 3.31Å; D424-R426 IonicContact OD1-NH2 2.8Å; D424-R426 PolarHBondContact OD1-NH2 2.91Å; D424-R426 IonicContact OD2-CZ 3.06Å; D424-R426 IonicContact OD2-NE 3.5Å; D424-R426 PolarHBondContact OD2-NE 3.39Å; D424-R426 IonicContact OD2-NH2 2.78Å; D424-R426 PolarHBondContact OD2-NH2 3.46Å; R426-L428 VanDerWaalsContact C-N 3.29Å
427	Q	96.7	Very high	97.5	Very high	105 Å²	105	47.5 Å²	47.5	49%	0.491	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-80.4	-9	176.2	-64.4	171	22.9	0	0	113	W236 N422 D424 V425 H429	W236-Q427 HydrophobicContact CH2-CB 3.67Å; W236-Q427 HydrophobicContact CZ2-CB 4.32Å; W236-Q427 WeakPolarHBondContact CZ2-O 3.35Å; N422-Q427 PolarHBondContact ND2-OE1 3.05Å; D424-Q427 PolarHBondContact OD2-NE2 3.32Å; V425-Q427 PolarHBondContact O-N 3.35Å; Q427-H429 PolarHBondContact O-N 2.62Å
428	L	97.2	Very high	97.5	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	22%	0.221	C	C	.	.			trans	-75	121.5	-178.2	-179.4	70.8	0	0	0	110.8	W236 P277 N311 V425 R426 W430 Y433	W236-L428 HydrophobicContact CB-CD1 4.12Å; W236-L428 VanDerWaalsContact CD1-CD1 3.42Å; W236-L428 HydrophobicContact CD2-CD1 3.41Å; W236-L428 VanDerWaalsContact CD2-CD1 3.41Å; W236-L428 VanDerWaalsContact CE2-CD1 3.48Å; W236-L428 HydrophobicContact CE3-CD1 4.09Å; W236-L428 HydrophobicContact CG-CD1 3.39Å; W236-L428 HydrophobicContact CH2-CB 4.38Å; W236-L428 HydrophobicContact CZ2-CB 4.28Å; W236-L428 HydrophobicContact CZ2-CD1 4.21Å; P277-L428 HydrophobicContact CG-CD1 4.38Å; P277-L428 HydrophobicContact CG-CD2 4.15Å; N311-L428 PolarHBondContact ND2-O 3.49Å; V425-L428 WeakPolarHBondContact O-CB 3.41Å; V425-L428 PolarHBondContact O-N 3.35Å; V425-L428 VanDerWaalsContact O-N 3.08Å; R426-L428 VanDerWaalsContact C-N 3.29Å; L428-W430 HydrophobicContact CD2-CD2 4.26Å; L428-W430 HydrophobicContact CD2-CE3 3.99Å; L428-W430 HydrophobicContact CD2-CH2 3.62Å; L428-W430 HydrophobicContact CD2-CZ2 3.9Å; L428-W430 HydrophobicContact CD2-CZ3 3.66Å; L428-Y433 HydrophobicContact CD1-CD2 3.97Å; L428-Y433 HydrophobicContact CD1-CG 3.89Å
429	H	97.9	Very high	97.4	Very high	117 Å²	117	44.1 Å²	44.1	54%	0.542	21%	0.209	S	C	.	.			trans	-93.4	108.3	172.6	-174.5	-104.9	0	0	0	110.9	Q427 A431 E432 Y433	Q427-H429 PolarHBondContact O-N 2.62Å; H429-A431 PolarHBondContact O-N 3.32Å; H429-E432 HydrophobicContact CB-CB 4.46Å; H429-E432 PolarHBondContact ND1-N 3.3Å; H429-E432 PolarHBondContact O-N 2.9Å; H429-Y433 PolarHBondContact O-N 3.33Å
430	W	97.8	Very high	97.4	Very high	21 Å²	21	36.7 Å²	36.7	8%	0.08	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-41.3	-170.6	-72.9	116.2	0	0	0	114.8	L275 T307 N311 F313 L428 E432 Y433 I434	L275-W430 HydrophobicContact CB-CH2 4.32Å; L275-W430 HydrophobicContact CB-CZ3 4.15Å; L275-W430 WeakPolarHBondContact O-CH2 2.97Å; T307-W430 HydrophobicContact CG2-CH2 4.14Å; T307-W430 HydrophobicContact CG2-CZ2 4.32Å; N311-W430 VanDerWaalsContact CG-NE1 3.32Å; N311-W430 PolarHBondContact ND2-NE1 3.4Å; N311-W430 VanDerWaalsContact O-CZ2 3.31Å; N311-W430 WeakPolarHBondContact O-CZ2 3.49Å; N311-W430 PolarHBondContact O-NE1 2.72Å; N311-W430 PolarHBondContact OD1-NE1 3.06Å; F313-W430 HydrophobicContact CB-CD2 3.76Å; F313-W430 VanDerWaalsContact CB-CE2 3.49Å; F313-W430 HydrophobicContact CB-CE3 4.29Å; F313-W430 HydrophobicContact CB-CG 4.13Å; F313-W430 HydrophobicContact CB-CH2 4.31Å; F313-W430 HydrophobicContact CB-CZ2 3.78Å; F313-W430 AromaticContact CD1-CD2 3.81Å; F313-W430 HydrophobicContact CD1-CD2 3.81Å; F313-W430 AromaticContact CD1-CE3 3.58Å; F313-W430 HydrophobicContact CD1-CE3 3.58Å; F313-W430 HydrophobicContact CD1-CG 4.33Å; F313-W430 HydrophobicContact CD1-CH2 4.44Å; F313-W430 AromaticContact CD1-CZ3 3.93Å; F313-W430 HydrophobicContact CD1-CZ3 3.93Å; F313-W430 HydrophobicContact CD2-CB 3.8Å; F313-W430 AromaticContact CD2-CD1 3.91Å; F313-W430 AromaticContact CD2-CD2 3.94Å; F313-W430 HydrophobicContact CD2-CD2 3.94Å; F313-W430 HydrophobicContact CD2-CE3 4.46Å; F313-W430 AromaticContact CD2-CG 3.6Å; F313-W430 HydrophobicContact CD2-CG 3.6Å; F313-W430 HydrophobicContact CE1-CD2 4.33Å; F313-W430 AromaticContact CE1-CE3 3.9Å; F313-W430 HydrophobicContact CE1-CE3 3.9Å; F313-W430 HydrophobicContact CE1-CZ3 4.47Å; F313-W430 HydrophobicContact CE2-CB 3.69Å; F313-W430 HydrophobicContact CE2-CD2 4.47Å; F313-W430 HydrophobicContact CE2-CG 4.02Å; F313-W430 HydrophobicContact CG-CB 4.36Å; F313-W430 AromaticContact CG-CD2 3.59Å; F313-W430 HydrophobicContact CG-CD2 3.59Å; F313-W430 AromaticContact CG-CE2 3.9Å; F313-W430 AromaticContact CG-CE3 3.89Å; F313-W430 HydrophobicContact CG-CE3 3.89Å; F313-W430 AromaticContact CG-CG 3.8Å; F313-W430 HydrophobicContact CG-CG 3.8Å; F313-W430 HydrophobicContact CG-CZ2 4.43Å; F313-W430 HydrophobicContact CG-CZ3 4.44Å; F313-W430 HydrophobicContact CZ-CB 4.16Å; L428-W430 HydrophobicContact CD2-CD2 4.26Å; L428-W430 HydrophobicContact CD2-CE3 3.99Å; L428-W430 HydrophobicContact CD2-CH2 3.62Å; L428-W430 HydrophobicContact CD2-CZ2 3.9Å; L428-W430 HydrophobicContact CD2-CZ3 3.66Å; W430-E432 VanDerWaalsContact C-N 3.34Å; W430-E432 PolarHBondContact O-N 2.99Å; W430-Y433 AromaticContact CE3-CD1 3.86Å; W430-Y433 HydrophobicContact CE3-CD1 3.86Å; W430-Y433 HydrophobicContact CE3-CE1 4.49Å; W430-Y433 AromaticContact CZ3-CD1 3.83Å; W430-Y433 HydrophobicContact CZ3-CD1 3.83Å; W430-Y433 HydrophobicContact CZ3-CE1 4.02Å; W430-Y433 PolarHBondContact O-N 3.37Å; W430-I434 WeakPolarHBondContact O-CB 3.33Å; W430-I434 WeakPolarHBondContact O-CG1 3.45Å; W430-I434 PolarHBondContact O-N 3.41Å
431	A	97.4	Very high	97.4	Very high	28 Å²	28	34.5 Å²	34.5	23%	0.231	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-42	-178.3	0	0	0	0	0	111.8	H321 H429 E435	H321-A431 WeakPolarHBondContact CE1-CB 3.5Å; H429-A431 PolarHBondContact O-N 3.32Å; A431-E435 WeakPolarHBondContact O-CB 3.29Å; A431-E435 PolarHBondContact O-N 2.78Å
432	E	97.9	Very high	97.2	Very high	109 Å²	109	34.5 Å²	34.5	51%	0.509	16%	0.163	S	C	.	.	H	α-helix	trans	-70.3	-43.4	177.6	-174.4	-173.3	165.6	0	0	110.8	H429 W430 I434 E435 N436	H429-E432 HydrophobicContact CB-CB 4.46Å; H429-E432 PolarHBondContact ND1-N 3.3Å; H429-E432 PolarHBondContact O-N 2.9Å; W430-E432 VanDerWaalsContact C-N 3.34Å; W430-E432 PolarHBondContact O-N 2.99Å; E432-I434 PolarHBondContact O-N 3.45Å; E432-E435 PolarHBondContact O-N 3.45Å; E432-N436 WeakPolarHBondContact O-CB 3.5Å; E432-N436 PolarHBondContact O-N 2.87Å; E432-N436 PolarHBondContact O-ND2 3.49Å
433	Y	98.2	Very high	97.1	Very high	2 Å²	2	38 Å²	38	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-47.3	177.4	174.3	-109.2	0	0	0	112.2	A234 W236 P277 L428 H429 W430 N436 Y437	A234-Y433 PolarHBondContact N-OH 3.47Å; A234-Y433 WeakPolarHBondContact O-CE2 3.38Å; A234-Y433 PolarHBondContact O-OH 3.06Å; A234-Y433 VanDerWaalsContact O-OH 3.09Å; W236-Y433 HydrophobicContact CB-CD2 4.13Å; W236-Y433 HydrophobicContact CB-CE2 4.22Å; W236-Y433 HydrophobicContact CG-CD2 4.49Å; P277-Y433 HydrophobicContact CB-CE2 4.04Å; P277-Y433 HydrophobicContact CG-CD2 4.41Å; P277-Y433 HydrophobicContact CG-CE2 3.77Å; L428-Y433 HydrophobicContact CD1-CD2 3.97Å; L428-Y433 HydrophobicContact CD1-CG 3.89Å; H429-Y433 PolarHBondContact O-N 3.33Å; W430-Y433 AromaticContact CE3-CD1 3.86Å; W430-Y433 HydrophobicContact CE3-CD1 3.86Å; W430-Y433 HydrophobicContact CE3-CE1 4.49Å; W430-Y433 AromaticContact CZ3-CD1 3.83Å; W430-Y433 HydrophobicContact CZ3-CD1 3.83Å; W430-Y433 HydrophobicContact CZ3-CE1 4.02Å; W430-Y433 PolarHBondContact O-N 3.37Å; Y433-N436 PolarHBondContact O-N 3.22Å; Y433-Y437 HydrophobicContact CE1-CD1 4.26Å; Y433-Y437 VanDerWaalsContact O-CB 3.28Å; Y433-Y437 WeakPolarHBondContact O-CB 3.41Å; Y433-Y437 PolarHBondContact O-N 2.65Å
434	I	98.1	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-36.6	178.2	-65.2	-60.7	0	0	0	111.5	F254 L275 F313 H321 V322 W430 E432 Y437 C438	F254-I434 HydrophobicContact CE2-CD1 4.3Å; F254-I434 HydrophobicContact CZ-CD1 4.36Å; L275-I434 HydrophobicContact CD1-CD1 4.12Å; F313-I434 HydrophobicContact CE1-CD1 3.95Å; F313-I434 HydrophobicContact CE1-CG1 3.84Å; F313-I434 HydrophobicContact CZ-CD1 4.42Å; F313-I434 HydrophobicContact CZ-CG1 3.82Å; H321-I434 HydrophobicContact CB-CB 4Å; H321-I434 HydrophobicContact CB-CG2 3.6Å; V322-I434 HydrophobicContact CG2-CG2 3.67Å; W430-I434 WeakPolarHBondContact O-CB 3.33Å; W430-I434 WeakPolarHBondContact O-CG1 3.45Å; W430-I434 PolarHBondContact O-N 3.41Å; E432-I434 PolarHBondContact O-N 3.45Å; I434-Y437 PolarHBondContact O-N 3.1Å; I434-C438 WeakPolarHBondContact O-CB 3.48Å; I434-C438 PolarHBondContact O-N 3.41Å; I434-C438 PolarHBondContact O-SG 3.47Å; I434-C438 VanDerWaalsContact O-SG 3.33Å
435	E	97.8	Very high	96.7	Very high	57 Å²	57	38.9 Å²	38.9	27%	0.266	18%	0.18	S	C	.	.	H	α-helix	trans	-60.3	-52.2	172.9	179.3	155.5	-164.4	0	0	111.1	T325 R328 N329 A431 E432 Y437 C438 M439	T325-E435 HydrophobicContact CG2-CB 4.47Å; T325-E435 HydrophobicContact CG2-CG 4.1Å; R328-E435 IonicContact CZ-OE2 3.79Å; R328-E435 VanDerWaalsContact NH2-CD 3.34Å; R328-E435 IonicContact NH2-OE1 3.59Å; R328-E435 PolarHBondContact NH2-OE1 3.12Å; R328-E435 IonicContact NH2-OE2 2.78Å; R328-E435 PolarHBondContact NH2-OE2 2.89Å; N329-E435 PolarHBondContact ND2-OE1 2.85Å; A431-E435 WeakPolarHBondContact O-CB 3.29Å; A431-E435 PolarHBondContact O-N 2.78Å; E432-E435 PolarHBondContact O-N 3.45Å; E435-Y437 VanDerWaalsContact C-N 3.32Å; E435-Y437 PolarHBondContact O-N 3.47Å; E435-C438 PolarHBondContact O-N 2.86Å; E435-M439 VanDerWaalsContact O-CG 3.28Å; E435-M439 WeakPolarHBondContact O-CG 3.47Å; E435-M439 PolarHBondContact O-N 3.18Å
436	N	97.9	Very high	96.7	Very high	46 Å²	46	40.4 Å²	40.4	25%	0.246	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-40.2	177.2	-74.8	-29.1	0	0	0	112.2	P241 G242 E432 Y433 M439 G440	P241-N436 HydrophobicContact CB-CB 4.32Å; G242-N436 WeakPolarHBondContact CA-O 3.28Å; E432-N436 WeakPolarHBondContact O-CB 3.5Å; E432-N436 PolarHBondContact O-N 2.87Å; E432-N436 PolarHBondContact O-ND2 3.49Å; Y433-N436 PolarHBondContact O-N 3.22Å; N436-M439 PolarHBondContact O-N 2.91Å; N436-G440 PolarHBondContact O-N 3.46Å
437	Y	97.9	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-50.1	175.4	-169.3	172.2	0	0	0	110.9	A234 I244 P250 S251 F254 Y433 I434 E435 M439 G440 T441	A234-Y437 HydrophobicContact CB-CD1 4.16Å; A234-Y437 HydrophobicContact CB-CD2 3.37Å; A234-Y437 HydrophobicContact CB-CE1 4.47Å; A234-Y437 HydrophobicContact CB-CE2 3.76Å; A234-Y437 HydrophobicContact CB-CG 3.62Å; I244-Y437 HydrophobicContact CB-CE2 4.47Å; I244-Y437 HydrophobicContact CG1-CE2 4.26Å; I244-Y437 HydrophobicContact CG2-CD2 4.42Å; I244-Y437 HydrophobicContact CG2-CE2 4.28Å; P250-Y437 HydrophobicContact CB-CE1 4.42Å; S251-Y437 PolarHBondContact N-OH 2.85Å; S251-Y437 WeakPolarHBondContact OG-CE2 3.34Å; S251-Y437 PolarHBondContact OG-OH 3.36Å; F254-Y437 HydrophobicContact CD2-CD1 4.32Å; F254-Y437 HydrophobicContact CD2-CE1 4.32Å; F254-Y437 HydrophobicContact CD2-CG 4.41Å; F254-Y437 AromaticContact CE2-CD1 3.72Å; F254-Y437 HydrophobicContact CE2-CD1 3.72Å; F254-Y437 AromaticContact CE2-CE1 3.75Å; F254-Y437 HydrophobicContact CE2-CE1 3.75Å; F254-Y437 HydrophobicContact CE2-CG 4.21Å; Y433-Y437 HydrophobicContact CE1-CD1 4.26Å; Y433-Y437 VanDerWaalsContact O-CB 3.28Å; Y433-Y437 WeakPolarHBondContact O-CB 3.41Å; Y433-Y437 PolarHBondContact O-N 2.65Å; I434-Y437 PolarHBondContact O-N 3.1Å; E435-Y437 VanDerWaalsContact C-N 3.32Å; E435-Y437 PolarHBondContact O-N 3.47Å; Y437-M439 VanDerWaalsContact C-N 3.32Å; Y437-M439 PolarHBondContact O-N 3.28Å; Y437-G440 CarbonylContact O-C 3.34Å; Y437-G440 WeakPolarHBondContact O-CA 3.43Å; Y437-G440 PolarHBondContact O-N 2.64Å; Y437-G440 VanDerWaalsContact O-N 3.07Å; Y437-T441 HydrophobicContact CD2-CG2 3.97Å; Y437-T441 HydrophobicContact CE2-CG2 3.91Å; Y437-T441 PolarHBondContact O-N 2.68Å
438	C	97.7	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-44.3	176.4	-73.9	0	0	0	0	112	T325 F326 I434 E435 G440 T441 K442	T325-C438 HydrophobicContact CG2-CB 3.6Å; F326-C438 HydrophobicContact CE1-CB 3.88Å; F326-C438 HydrophobicContact CE2-CB 4.16Å; F326-C438 HydrophobicContact CZ-CB 3.66Å; I434-C438 WeakPolarHBondContact O-CB 3.48Å; I434-C438 PolarHBondContact O-N 3.41Å; I434-C438 PolarHBondContact O-SG 3.47Å; I434-C438 VanDerWaalsContact O-SG 3.33Å; E435-C438 PolarHBondContact O-N 2.86Å; C438-G440 VanDerWaalsContact C-N 3.29Å; C438-G440 PolarHBondContact O-N 2.87Å; C438-T441 PolarHBondContact O-N 2.88Å; C438-T441 PolarHBondContact O-OG1 3.46Å; C438-K442 PolarHBondContact O-N 3.3Å
439	M	96.5	Very high	96.1	Very high	28 Å²	28	41.6 Å²	41.6	14%	0.138	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-36.7	175.6	-64.6	-48.1	-58.8	0	0	112.3	T325 N329 E435 N436 Y437 K442 K443 M450	T325-M439 HydrophobicContact CG2-SD 4.43Å; N329-M439 HydrophobicContact CB-CE 4.16Å; N329-M439 HydrophobicContact CB-SD 3.44Å; N329-M439 WeakPolarHBondContact CB-SD 3.5Å; E435-M439 VanDerWaalsContact O-CG 3.28Å; E435-M439 WeakPolarHBondContact O-CG 3.47Å; E435-M439 PolarHBondContact O-N 3.18Å; N436-M439 PolarHBondContact O-N 2.91Å; Y437-M439 VanDerWaalsContact C-N 3.32Å; Y437-M439 PolarHBondContact O-N 3.28Å; M439-K442 HydrophobicContact CE-CD 4.29Å; M439-K442 WeakPolarHBondContact O-CB 3.5Å; M439-K442 PolarHBondContact O-N 3.48Å; M439-K443 PolarHBondContact O-N 3.02Å; M439-M450 HydrophobicContact CE-CE 3.35Å; M439-M450 HydrophobicContact CE-SD 3.38Å; M439-M450 WeakPolarHBondContact CE-SD 3.39Å
440	G	95.9	Very high	95.7	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-56.7	-48.8	171.1	0	0	0	0	0	113.3	G242 N436 Y437 C438 K442 K443 Y444	G242-G440 WeakPolarHBondContact O-CA 3.5Å; N436-G440 PolarHBondContact O-N 3.46Å; Y437-G440 CarbonylContact O-C 3.34Å; Y437-G440 WeakPolarHBondContact O-CA 3.43Å; Y437-G440 PolarHBondContact O-N 2.64Å; Y437-G440 VanDerWaalsContact O-N 3.07Å; C438-G440 VanDerWaalsContact C-N 3.29Å; C438-G440 PolarHBondContact O-N 2.87Å; G440-K442 VanDerWaalsContact C-N 3.27Å; G440-K442 PolarHBondContact O-N 2.9Å; G440-K443 PolarHBondContact O-N 3.28Å; G440-Y444 WeakPolarHBondContact O-CB 3.29Å; G440-Y444 WeakPolarHBondContact O-CD2 3.44Å; G440-Y444 PolarHBondContact O-N 3.24Å
441	T	96.4	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-61.5	-36.5	176.9	65.8	0	0	0	0	112.3	I244 I255 Y437 C438 V445 L446	I244-T441 HydrophobicContact CG2-CG2 4.2Å; I255-T441 HydrophobicContact CD1-CG2 4.46Å; I255-T441 HydrophobicContact CG1-CG2 4.32Å; Y437-T441 HydrophobicContact CD2-CG2 3.97Å; Y437-T441 HydrophobicContact CE2-CG2 3.91Å; Y437-T441 PolarHBondContact O-N 2.68Å; C438-T441 PolarHBondContact O-N 2.88Å; C438-T441 PolarHBondContact O-OG1 3.46Å; T441-V445 WeakPolarHBondContact O-CB 3.4Å; T441-V445 PolarHBondContact O-N 2.96Å; T441-L446 PolarHBondContact O-N 3.22Å
442	K	95.1	Very high	95.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-62.2	-52.5	173.7	-177.9	179.4	168.5	72.5	0	110.9	L331 E332 C438 M439 G440 L446 N447 E448 L453	L331-K442 HydrophobicContact CD2-CB 3.62Å; L331-K442 HydrophobicContact CD2-CD 4.3Å; L331-K442 HydrophobicContact CD2-CG 3.84Å; E332-K442 IonicContact OE1-NZ 2.87Å; C438-K442 PolarHBondContact O-N 3.3Å; M439-K442 HydrophobicContact CE-CD 4.29Å; M439-K442 WeakPolarHBondContact O-CB 3.5Å; M439-K442 PolarHBondContact O-N 3.48Å; G440-K442 VanDerWaalsContact C-N 3.27Å; G440-K442 PolarHBondContact O-N 2.9Å; K442-L446 WeakPolarHBondContact O-CB 3.35Å; K442-N447 PolarHBondContact O-N 3.49Å; K442-E448 HydrophobicContact CD-CB 4.47Å; K442-E448 HydrophobicContact CG-CB 3.66Å; K442-E448 HydrophobicContact CG-CG 4.5Å; K442-E448 IonicContact NZ-OE2 3.81Å; K442-E448 PolarHBondContact NZ-OE2 3.43Å; K442-E448 PolarHBondContact O-N 3.28Å; K442-L453 HydrophobicContact CD-CD2 4.17Å
443	K	94.2	Very high	95	Very high	89 Å²	89	38.7 Å²	38.7	39%	0.387	20%	0.202	S	C	.	.	I	π-helix	trans	-76.1	-43	-170.5	-173.9	176.4	171.5	-164.3	0	113.8	M439 G440 N447	M439-K443 PolarHBondContact O-N 3.02Å; G440-K443 PolarHBondContact O-N 3.28Å; K443-N447 WeakPolarHBondContact O-CA 3.12Å
444	Y	92.8	Very high	94.8	Very high	39 Å²	39	43 Å²	43	15%	0.153	23%	0.23	C	C	.	.	I	π-helix	trans	-106.1	-25.6	-167	-54.4	-58.6	0	0	0	113.9	K63 F240 I244 G440	K63-Y444 HydrophobicContact CD-CD1 4.43Å; K63-Y444 HydrophobicContact CD-CE1 4.28Å; F240-Y444 HydrophobicContact CD2-CE2 4.3Å; F240-Y444 AromaticContact CD2-CZ 3.99Å; F240-Y444 WeakPolarHBondContact CD2-OH 3.37Å; F240-Y444 AromaticContact CE2-CE1 3.89Å; F240-Y444 HydrophobicContact CE2-CE1 3.89Å; F240-Y444 AromaticContact CE2-CE2 3.75Å; F240-Y444 HydrophobicContact CE2-CE2 3.75Å; F240-Y444 AromaticContact CE2-CZ 3.33Å; F240-Y444 WeakPolarHBondContact CE2-OH 3.34Å; F240-Y444 HydrophobicContact CZ-CE1 4.35Å; I244-Y444 WeakPolarHBondContact O-CB 3.28Å; G440-Y444 WeakPolarHBondContact O-CB 3.29Å; G440-Y444 WeakPolarHBondContact O-CD2 3.44Å; G440-Y444 PolarHBondContact O-N 3.24Å
445	V	94.6	Very high	94.7	Very high	12 Å²	12	46.3 Å²	46.3	7%	0.073	26%	0.257	C	S	.	.	I	π-helix	trans	-99.8	-41.7	-178.9	179.5	0	0	0	0	111.1	I244 F247 I255 T441	I244-V445 HydrophobicContact CG1-CG2 4.28Å; I244-V445 HydrophobicContact CG2-CG2 3.86Å; I244-V445 WeakPolarHBondContact O-CG2 3.33Å; F247-V445 HydrophobicContact CD1-CG1 3.72Å; F247-V445 HydrophobicContact CD2-CG1 3.73Å; F247-V445 HydrophobicContact CE1-CG1 3.45Å; F247-V445 VanDerWaalsContact CE1-CG1 3.45Å; F247-V445 HydrophobicContact CE2-CG1 3.45Å; F247-V445 VanDerWaalsContact CE2-CG1 3.45Å; F247-V445 HydrophobicContact CG-CG1 3.86Å; F247-V445 HydrophobicContact CZ-CG1 3.31Å; I255-V445 HydrophobicContact CD1-CB 4.15Å; I255-V445 HydrophobicContact CD1-CG1 3.6Å; T441-V445 WeakPolarHBondContact O-CB 3.4Å; T441-V445 PolarHBondContact O-N 2.96Å
446	L	95.1	Very high	94.6	Very high	42 Å²	42	43.8 Å²	43.8	22%	0.22	25%	0.246	C	C	.	.	S	Bend	trans	-91.9	-8.4	176.6	-62.8	174.8	0	0	0	113.6	F247 I255 L331 T441 K442 E448	F247-L446 HydrophobicContact CE1-CD2 4.07Å; F247-L446 HydrophobicContact CZ-CD2 4.26Å; I255-L446 HydrophobicContact CD1-CD1 4.48Å; I255-L446 HydrophobicContact CD1-CD2 4.28Å; I255-L446 HydrophobicContact CD1-CG 4.15Å; I255-L446 HydrophobicContact CG1-CD1 4.21Å; I255-L446 HydrophobicContact CG1-CG 4.42Å; I255-L446 HydrophobicContact CG2-CD1 4.06Å; I255-L446 HydrophobicContact CG2-CD2 4.05Å; I255-L446 HydrophobicContact CG2-CG 4.45Å; L331-L446 HydrophobicContact CD1-CD1 3.79Å; L331-L446 HydrophobicContact CD2-CD1 3.77Å; L331-L446 HydrophobicContact CG-CD1 4.25Å; T441-L446 PolarHBondContact O-N 3.22Å; K442-L446 WeakPolarHBondContact O-CB 3.35Å; L446-E448 HydrophobicContact CB-CG 3.9Å; L446-E448 PolarHBondContact O-N 3.1Å
447	N	93.6	Very high	94.5	Very high	130 Å²	130	47.1 Å²	47.1	70%	0.695	26%	0.255	S	S	*	.			trans	52.6	33.6	-175.8	-60.3	-50.1	0	0	0	113	K442 K443	K442-N447 PolarHBondContact O-N 3.49Å; K443-N447 WeakPolarHBondContact O-CA 3.12Å
448	E	94.3	Very high	94.4	Very high	16 Å²	16	55 Å²	55	8%	0.075	29%	0.289	C	S	.	.			trans	-88.6	129.2	177.8	-67.8	177.8	-167.6	0	0	109.9	K259 L331 E332 K442 L446	K259-E448 IonicContact NZ-OE1 2.6Å; K259-E448 PolarHBondContact NZ-OE1 3.33Å; L331-E448 WeakPolarHBondContact CA-OE2 3.4Å; E332-E448 HydrophobicContact CB-CG 4.29Å; E332-E448 HydrophobicContact CG-CG 4.26Å; E332-E448 PolarHBondContact N-OE1 3.12Å; E332-E448 PolarHBondContact N-OE2 3.28Å; K442-E448 HydrophobicContact CD-CB 4.47Å; K442-E448 HydrophobicContact CG-CB 3.66Å; K442-E448 HydrophobicContact CG-CG 4.5Å; K442-E448 IonicContact NZ-OE2 3.81Å; K442-E448 PolarHBondContact NZ-OE2 3.43Å; K442-E448 PolarHBondContact O-N 3.28Å; L446-E448 HydrophobicContact CB-CG 3.9Å; L446-E448 PolarHBondContact O-N 3.1Å
449	E	91	Very high	94.3	Very high	136 Å²	136	57.9 Å²	57.9	64%	0.636	30%	0.303	S	S	*	.			trans	-76.7	153.1	178.1	-65.7	-169.1	172.6	0	0	112.5	S451 G452	E449-S451 WeakPolarHBondContact CB-OG 3.19Å; E449-S451 PolarHBondContact O-N 3.37Å; E449-S451 PolarHBondContact OE2-OG 2.94Å; E449-G452 PolarHBondContact O-N 3.26Å
450	M	90.2	Very high	94.2	Very high	94 Å²	94	56.8 Å²	56.8	46%	0.463	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-68.5	-26.6	175.7	-66.7	-60.4	-72.2	0	0	112.3	M439 G452 L453	M439-M450 HydrophobicContact CE-CE 3.35Å; M439-M450 HydrophobicContact CE-SD 3.38Å; M439-M450 WeakPolarHBondContact CE-SD 3.39Å; M450-G452 PolarHBondContact O-N 2.89Å; M450-L453 HydrophobicContact CE-CD1 3.44Å; M450-L453 VanDerWaalsContact CE-CD1 3.44Å; M450-L453 WeakPolarHBondContact O-CB 3.43Å; M450-L453 WeakPolarHBondContact O-CG 3.33Å; M450-L453 PolarHBondContact O-N 3.49Å; M450-L453 HydrophobicContact SD-CD1 4.09Å
451	S	92.4	Very high	94.1	Very high	86 Å²	86	59.9 Å²	59.9	60%	0.601	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-57.8	-28.2	172.2	58.6	0	0	0	0	112.5	E449 L453 P454	E449-S451 WeakPolarHBondContact CB-OG 3.19Å; E449-S451 PolarHBondContact O-N 3.37Å; E449-S451 PolarHBondContact OE2-OG 2.94Å; S451-L453 VanDerWaalsContact C-N 3.33Å; S451-L453 PolarHBondContact O-N 3.02Å; S451-P454 VanDerWaalsContact O-CD 3.26Å; S451-P454 WeakPolarHBondContact O-CD 3.49Å
452	G	91.9	Very high	94	Very high	15 Å²	15	66.4 Å²	66.4	16%	0.155	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-77.2	-8.6	179.2	0	0	0	0	0	115.4	E449 M450 A455 A456	E449-G452 PolarHBondContact O-N 3.26Å; M450-G452 PolarHBondContact O-N 2.89Å; G452-A455 PolarHBondContact O-N 3.49Å; G452-A456 PolarHBondContact O-N 3.11Å
453	L	92.8	Very high	94	Very high	19 Å²	19	68 Å²	68	10%	0.099	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-42.6	-176	-77.2	175.5	0	0	0	115	N329 K442 M450 S451 A455 A456 R457	N329-L453 HydrophobicContact CB-CD2 4.38Å; K442-L453 HydrophobicContact CD-CD2 4.17Å; M450-L453 HydrophobicContact CE-CD1 3.44Å; M450-L453 VanDerWaalsContact CE-CD1 3.44Å; M450-L453 WeakPolarHBondContact O-CB 3.43Å; M450-L453 WeakPolarHBondContact O-CG 3.33Å; M450-L453 PolarHBondContact O-N 3.49Å; M450-L453 HydrophobicContact SD-CD1 4.09Å; S451-L453 VanDerWaalsContact C-N 3.33Å; S451-L453 PolarHBondContact O-N 3.02Å; L453-A455 VanDerWaalsContact C-N 3.31Å; L453-A455 PolarHBondContact O-N 3.38Å; L453-A456 PolarHBondContact O-N 3Å; L453-R457 WeakPolarHBondContact O-CG 3.38Å; L453-R457 PolarHBondContact O-N 3.33Å
454	P	95.3	Very high	93.9	Very high	92 Å²	92	67.9 Å²	67.9	60%	0.597	35%	0.347	S	S	*	.	H	α-helix	trans	-59.5	-41.6	177.3	-24.5	35.8	0	0	0	112.4	S451 R457 K458	S451-P454 VanDerWaalsContact O-CD 3.26Å; S451-P454 WeakPolarHBondContact O-CD 3.49Å; P454-R457 PolarHBondContact O-N 2.91Å; P454-K458 PolarHBondContact O-N 3.17Å
455	A	95.7	Very high	94	Very high	70 Å²	70	70.4 Å²	70.4	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-66	-43.5	177	0	0	0	0	0	111.5	G452 L453 R457 K458 H459	G452-A455 PolarHBondContact O-N 3.49Å; L453-A455 VanDerWaalsContact C-N 3.31Å; L453-A455 PolarHBondContact O-N 3.38Å; A455-R457 PolarHBondContact O-N 3.44Å; A455-K458 WeakPolarHBondContact O-CB 3.45Å; A455-K458 PolarHBondContact O-N 2.88Å; A455-H459 PolarHBondContact O-N 3.48Å
456	A	95.1	Very high	93.9	Very high	3 Å²	3	74.5 Å²	74.5	3%	0.025	38%	0.384	C	S	.	.	H	α-helix	trans	-61.9	-39.8	176.1	0	0	0	0	0	112.4	P330 E332 G452 L453 H459 L460	P330-A456 HydrophobicContact CB-CB 4.27Å; P330-A456 HydrophobicContact CG-CB 3.8Å; E332-A456 HydrophobicContact CG-CB 4.16Å; G452-A456 PolarHBondContact O-N 3.11Å; L453-A456 PolarHBondContact O-N 3Å; A456-H459 WeakPolarHBondContact O-CB 3.45Å; A456-H459 PolarHBondContact O-N 2.89Å; A456-L460 PolarHBondContact O-N 2.96Å
457	R	95.4	Very high	93.6	Very high	117 Å²	117	79 Å²	79	44%	0.442	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-43.3	173.5	-73.4	177.7	178.6	167.9	5.2	111.9	R328 N329 P330 L453 P454 A455 H459 L460 N461	R328-R457 PolarHBondContact O-NE 3.06Å; R328-R457 PolarHBondContact O-NH2 3.25Å; R328-R457 VanDerWaalsContact O-NH2 3.09Å; N329-R457 PolarHBondContact OD1-NH2 3.37Å; P330-R457 HydrophobicContact CG-CB 4.39Å; P330-R457 HydrophobicContact CG-CG 3.7Å; L453-R457 WeakPolarHBondContact O-CG 3.38Å; L453-R457 PolarHBondContact O-N 3.33Å; P454-R457 PolarHBondContact O-N 2.91Å; A455-R457 PolarHBondContact O-N 3.44Å; R457-H459 VanDerWaalsContact C-N 3.32Å; R457-H459 PolarHBondContact O-N 2.89Å; R457-L460 PolarHBondContact O-N 3.23Å; R457-N461 PolarHBondContact O-N 2.98Å
458	K	95.6	Very high	93.5	Very high	165 Å²	165	79.1 Å²	79.1	72%	0.717	39%	0.39	S	S	*	.	H	α-helix	trans	-60.4	-42	174.9	-169.7	178.1	-178.2	178	0	111.4	P454 A455 N461 K462	P454-K458 PolarHBondContact O-N 3.17Å; A455-K458 WeakPolarHBondContact O-CB 3.45Å; A455-K458 PolarHBondContact O-N 2.88Å; K458-N461 PolarHBondContact O-N 3.46Å; K458-K462 PolarHBondContact O-N 2.85Å
459	H	95.5	Very high	93.5	Very high	61 Å²	61	80 Å²	80	28%	0.282	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-46.5	174.7	-179.2	60.9	0	0	0	112.3	A334 A455 A456 R457 N461 K462 L463	A334-H459 PolarHBondContact O-NE2 3.19Å; A455-H459 PolarHBondContact O-N 3.48Å; A456-H459 WeakPolarHBondContact O-CB 3.45Å; A456-H459 PolarHBondContact O-N 2.89Å; R457-H459 VanDerWaalsContact C-N 3.32Å; R457-H459 PolarHBondContact O-N 2.89Å; H459-N461 VanDerWaalsContact C-N 3.32Å; H459-N461 PolarHBondContact O-N 3.36Å; H459-K462 WeakPolarHBondContact O-CB 3.26Å; H459-K462 PolarHBondContact O-N 2.78Å; H459-L463 WeakPolarHBondContact O-CG 3.25Å; H459-L463 PolarHBondContact O-N 3.46Å
460	L	94.5	Very high	93.5	Very high	4 Å²	4	79.8 Å²	79.8	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-62	-37.1	174.9	-80.5	-157	0	0	0	113.3	P330 A334 R337 P338 A456 R457 L463 R464	P330-L460 HydrophobicContact CB-CD1 3.43Å; P330-L460 VanDerWaalsContact CB-CD1 3.43Å; P330-L460 HydrophobicContact CB-CG 3.72Å; P330-L460 HydrophobicContact CG-CD1 4.09Å; P330-L460 HydrophobicContact CG-CG 4.29Å; A334-L460 HydrophobicContact CB-CD2 3.89Å; R337-L460 HydrophobicContact CG-CD2 4.28Å; P338-L460 HydrophobicContact CG-CD1 4.48Å; A456-L460 PolarHBondContact O-N 2.96Å; R457-L460 PolarHBondContact O-N 3.23Å; L460-L463 HydrophobicContact CD2-CD1 4.07Å; L460-L463 PolarHBondContact O-N 3.05Å; L460-R464 PolarHBondContact O-N 3.23Å
461	N	94.2	Very high	93.5	Very high	68 Å²	68	78.4 Å²	78.4	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-39.2	175	-74.9	-23.3	0	0	0	111.5	R457 K458 H459 R464 N465	R457-N461 PolarHBondContact O-N 2.98Å; K458-N461 PolarHBondContact O-N 3.46Å; H459-N461 VanDerWaalsContact C-N 3.32Å; H459-N461 PolarHBondContact O-N 3.36Å; N461-R464 WeakPolarHBondContact O-CB 3.19Å; N461-R464 PolarHBondContact O-N 3.16Å; N461-N465 VanDerWaalsContact O-CG 3.23Å; N461-N465 PolarHBondContact O-N 3.35Å; N461-N465 PolarHBondContact O-OD1 3.46Å
462	K	95.1	Very high	93.5	Very high	136 Å²	136	78.2 Å²	78.2	59%	0.591	39%	0.39	S	S	*	.	H	α-helix	trans	-59.7	-47.4	171.6	-176.4	179.5	178	179.2	0	111.1	K458 H459 R464 N465 I466	K458-K462 PolarHBondContact O-N 2.85Å; H459-K462 WeakPolarHBondContact O-CB 3.26Å; H459-K462 PolarHBondContact O-N 2.78Å; K462-R464 VanDerWaalsContact C-N 3.29Å; K462-R464 PolarHBondContact O-N 3.03Å; K462-N465 PolarHBondContact O-N 2.9Å; K462-I466 HydrophobicContact CG-CD1 3.99Å; K462-I466 WeakPolarHBondContact O-CG1 3.46Å; K462-I466 PolarHBondContact O-N 3.15Å
463	L	93.9	Very high	93.6	Very high	33 Å²	33	82.5 Å²	82.5	17%	0.173	41%	0.408	C	S	.	.	H	α-helix	trans	-61.7	-36	176.3	-67	176.8	0	0	0	112.8	A334 R337 H459 L460 I466 R467	A334-L463 WeakPolarHBondContact O-CD1 3.36Å; R337-L463 HydrophobicContact CG-CB 4.02Å; H459-L463 WeakPolarHBondContact O-CG 3.25Å; H459-L463 PolarHBondContact O-N 3.46Å; L460-L463 HydrophobicContact CD2-CD1 4.07Å; L460-L463 PolarHBondContact O-N 3.05Å; L463-I466 HydrophobicContact CD2-CD1 4.49Å; L463-R467 WeakPolarHBondContact O-CB 3.47Å; L463-R467 PolarHBondContact O-N 2.94Å
464	R	93.9	Very high	93.5	Very high	88 Å²	88	85.2 Å²	85.2	33%	0.332	42%	0.422	S	S	.	.	H	α-helix	trans	-60.5	-49.8	173	-176.3	-175.2	65.9	-173.7	-2.5	110.7	L460 N461 K462 I466 R467 Y468	L460-R464 PolarHBondContact O-N 3.23Å; N461-R464 WeakPolarHBondContact O-CB 3.19Å; N461-R464 PolarHBondContact O-N 3.16Å; K462-R464 VanDerWaalsContact C-N 3.29Å; K462-R464 PolarHBondContact O-N 3.03Å; R464-I466 PolarHBondContact O-N 3.42Å; R464-R467 PolarHBondContact O-N 3.42Å; R464-Y468 HydrophobicContact CG-CD2 3.85Å; R464-Y468 HydrophobicContact CG-CE2 3.36Å; R464-Y468 PolarHBondContact O-N 2.99Å
465	N	94.2	Very high	93.3	Very high	92 Å²	92	85.4 Å²	85.4	49%	0.492	42%	0.421	S	S	.	.	H	α-helix	trans	-66	-39.4	-177.9	-63.8	-2.4	0	0	0	111.2	N461 K462 R467 Y468 G469	N461-N465 VanDerWaalsContact O-CG 3.23Å; N461-N465 PolarHBondContact O-N 3.35Å; N461-N465 PolarHBondContact O-OD1 3.46Å; K462-N465 PolarHBondContact O-N 2.9Å; N465-R467 VanDerWaalsContact C-N 3.34Å; N465-R467 PolarHBondContact O-N 3.38Å; N465-Y468 PolarHBondContact O-N 3.12Å; N465-G469 PolarHBondContact O-N 3.16Å
466	I	92.1	Very high	93.1	Very high	98 Å²	98	86.2 Å²	86.2	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-58.2	-46.8	172.5	-69.9	166.3	0	0	0	110.6	K462 L463 R464 G469 F470	K462-I466 HydrophobicContact CG-CD1 3.99Å; K462-I466 WeakPolarHBondContact O-CG1 3.46Å; K462-I466 PolarHBondContact O-N 3.15Å; L463-I466 HydrophobicContact CD2-CD1 4.49Å; R464-I466 PolarHBondContact O-N 3.42Å; I466-G469 PolarHBondContact O-N 2.9Å; I466-F470 WeakPolarHBondContact O-CB 3.32Å; I466-F470 PolarHBondContact O-N 3.48Å
467	R	89.1	Confident	92.8	Very high	137 Å²	137	90.7 Å²	90.7	52%	0.517	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-44.5	177.6	-179.7	179.5	175.8	-176.6	-2.1	112	L463 R464 N465 F470 N471	L463-R467 WeakPolarHBondContact O-CB 3.47Å; L463-R467 PolarHBondContact O-N 2.94Å; R464-R467 PolarHBondContact O-N 3.42Å; N465-R467 VanDerWaalsContact C-N 3.34Å; N465-R467 PolarHBondContact O-N 3.38Å; R467-F470 PolarHBondContact O-N 3.5Å; R467-N471 WeakPolarHBondContact O-CB 3.36Å; R467-N471 VanDerWaalsContact O-CG 3.29Å; R467-N471 PolarHBondContact O-N 2.94Å; R467-N471 PolarHBondContact O-OD1 3.34Å
468	Y	92.3	Very high	92.6	Very high	132 Å²	132	89.9 Å²	89.9	52%	0.518	44%	0.441	S	S	.	.	H	α-helix	trans	-64.8	-41.8	177.5	-68.4	-32.5	0	0	0	112	R464 N465 N471 T472	R464-Y468 HydrophobicContact CG-CD2 3.85Å; R464-Y468 HydrophobicContact CG-CE2 3.36Å; R464-Y468 PolarHBondContact O-N 2.99Å; N465-Y468 PolarHBondContact O-N 3.12Å; Y468-N471 PolarHBondContact O-N 2.88Å; Y468-T472 VanDerWaalsContact O-CB 3.29Å; Y468-T472 WeakPolarHBondContact O-CB 3.43Å; Y468-T472 PolarHBondContact O-N 2.8Å; Y468-T472 PolarHBondContact O-OG1 3.36Å
469	G	93.9	Very high	92.2	Very high	33 Å²	33	86 Å²	86	34%	0.34	42%	0.422	S	S	.	.	H	α-helix	trans	-59.8	-50.6	174	0	0	0	0	0	112	N465 I466 N471 T472 I473	N465-G469 PolarHBondContact O-N 3.16Å; I466-G469 PolarHBondContact O-N 2.9Å; G469-N471 PolarHBondContact O-N 3.29Å; G469-T472 PolarHBondContact O-N 3.26Å; G469-I473 WeakPolarHBondContact O-CG1 3.25Å; G469-I473 PolarHBondContact O-N 3.26Å
470	F	90.6	Very high	91.8	Very high	133 Å²	133	91.8 Å²	91.8	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-57.8	-49.2	177	178.2	-95.4	0	0	0	112.2	I466 R467 T472 I473 L474	I466-F470 WeakPolarHBondContact O-CB 3.32Å; I466-F470 PolarHBondContact O-N 3.48Å; R467-F470 PolarHBondContact O-N 3.5Å; F470-T472 VanDerWaalsContact C-N 3.32Å; F470-T472 PolarHBondContact O-N 3.43Å; F470-I473 PolarHBondContact O-N 2.99Å; F470-L474 HydrophobicContact CE1-CD2 4.29Å; F470-L474 WeakPolarHBondContact O-CB 3.26Å; F470-L474 PolarHBondContact O-N 2.91Å
471	N	89.6	Confident	91.5	Very high	65 Å²	65	96.5 Å²	96.5	35%	0.348	47%	0.466	S	S	.	.	H	α-helix	trans	-62.5	-39.9	178.7	-76.3	4.4	0	0	0	111.9	R467 Y468 G469 L474 V475	R467-N471 WeakPolarHBondContact O-CB 3.36Å; R467-N471 VanDerWaalsContact O-CG 3.29Å; R467-N471 PolarHBondContact O-N 2.94Å; R467-N471 PolarHBondContact O-OD1 3.34Å; Y468-N471 PolarHBondContact O-N 2.88Å; G469-N471 PolarHBondContact O-N 3.29Å; N471-L474 PolarHBondContact O-N 2.94Å; N471-V475 WeakPolarHBondContact O-CB 3.49Å; N471-V475 VanDerWaalsContact O-CG2 3.26Å; N471-V475 WeakPolarHBondContact O-CG2 3.46Å; N471-V475 PolarHBondContact O-N 3.34Å
472	T	92.6	Very high	91.1	Very high	82 Å²	82	98.6 Å²	98.6	50%	0.503	47%	0.472	S	S	.	.	H	α-helix	trans	-64.2	-46.1	178	-56.6	0	0	0	0	110.7	Y468 G469 F470 L474 V475 I476	Y468-T472 VanDerWaalsContact O-CB 3.29Å; Y468-T472 WeakPolarHBondContact O-CB 3.43Å; Y468-T472 PolarHBondContact O-N 2.8Å; Y468-T472 PolarHBondContact O-OG1 3.36Å; G469-T472 PolarHBondContact O-N 3.26Å; F470-T472 VanDerWaalsContact C-N 3.32Å; F470-T472 PolarHBondContact O-N 3.43Å; T472-L474 PolarHBondContact O-N 3.47Å; T472-V475 PolarHBondContact O-N 2.99Å; T472-I476 HydrophobicContact CG2-CD1 3.96Å; T472-I476 VanDerWaalsContact O-CG1 3.25Å; T472-I476 WeakPolarHBondContact O-CG1 3.43Å; T472-I476 PolarHBondContact O-N 3.3Å
473	I	93.6	Very high	90.8	Very high	104 Å²	104	93.8 Å²	93.8	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-60.6	-45.7	175.6	-67.7	166.4	0	0	0	110.5	G469 F470 V475 I476 L477	G469-I473 WeakPolarHBondContact O-CG1 3.25Å; G469-I473 PolarHBondContact O-N 3.26Å; F470-I473 PolarHBondContact O-N 2.99Å; I473-V475 PolarHBondContact O-N 2.88Å; I473-I476 PolarHBondContact O-N 2.89Å; I473-L477 HydrophobicContact CG2-CD1 3.96Å; I473-L477 HydrophobicContact CG2-CG 4.34Å; I473-L477 WeakPolarHBondContact O-CG 3.33Å; I473-L477 PolarHBondContact O-N 3.4Å
474	L	90.7	Very high	90.4	Very high	76 Å²	76	95.5 Å²	95.5	40%	0.398	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-44.9	179	-173.9	67.6	0	0	0	111.7	F470 N471 T472 I476 L477 I478	F470-L474 HydrophobicContact CE1-CD2 4.29Å; F470-L474 WeakPolarHBondContact O-CB 3.26Å; F470-L474 PolarHBondContact O-N 2.91Å; N471-L474 PolarHBondContact O-N 2.94Å; T472-L474 PolarHBondContact O-N 3.47Å; L474-I476 PolarHBondContact O-N 3.2Å; L474-L477 PolarHBondContact O-N 3.31Å; L474-I478 HydrophobicContact CD1-CD1 4.31Å; L474-I478 HydrophobicContact CG-CD1 3.93Å; L474-I478 VanDerWaalsContact O-CG1 3.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.33Å; L474-I478 PolarHBondContact O-N 2.79Å
475	V	91.6	Very high	90.1	Very high	97 Å²	97	101.7 Å²	101.7	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-60.9	-44.4	175.5	168.5	0	0	0	0	110.8	N471 T472 I473 L477 I478 W479	N471-V475 WeakPolarHBondContact O-CB 3.49Å; N471-V475 VanDerWaalsContact O-CG2 3.26Å; N471-V475 WeakPolarHBondContact O-CG2 3.46Å; N471-V475 PolarHBondContact O-N 3.34Å; T472-V475 PolarHBondContact O-N 2.99Å; I473-V475 PolarHBondContact O-N 2.88Å; V475-L477 VanDerWaalsContact C-N 3.34Å; V475-L477 PolarHBondContact O-N 3.46Å; V475-I478 PolarHBondContact O-N 3.48Å; V475-W479 WeakPolarHBondContact O-CB 3.38Å; V475-W479 PolarHBondContact O-N 3.16Å
476	I	90.6	Very high	89.8	Confident	87 Å²	87	98.7 Å²	98.7	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-60.9	-43	177	-69.4	165.4	0	0	0	111.2	T472 I473 L474 W479 R480	T472-I476 HydrophobicContact CG2-CD1 3.96Å; T472-I476 VanDerWaalsContact O-CG1 3.25Å; T472-I476 WeakPolarHBondContact O-CG1 3.43Å; T472-I476 PolarHBondContact O-N 3.3Å; I473-I476 PolarHBondContact O-N 2.89Å; L474-I476 PolarHBondContact O-N 3.2Å; I476-W479 PolarHBondContact O-N 3.31Å; I476-R480 WeakPolarHBondContact O-CB 3.47Å; I476-R480 WeakPolarHBondContact O-CG 3.47Å; I476-R480 PolarHBondContact O-N 2.95Å
477	L	90.8	Very high	89.5	Confident	96 Å²	96	99.1 Å²	99.1	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-47.4	178.9	-71	173.2	0	0	0	111.9	I473 L474 V475 W479 R480 I481	I473-L477 HydrophobicContact CG2-CD1 3.96Å; I473-L477 HydrophobicContact CG2-CG 4.34Å; I473-L477 WeakPolarHBondContact O-CG 3.33Å; I473-L477 PolarHBondContact O-N 3.4Å; L474-L477 PolarHBondContact O-N 3.31Å; V475-L477 VanDerWaalsContact C-N 3.34Å; V475-L477 PolarHBondContact O-N 3.46Å; L477-W479 VanDerWaalsContact C-N 3.32Å; L477-W479 PolarHBondContact O-N 3.27Å; L477-R480 PolarHBondContact O-N 3.32Å; L477-I481 WeakPolarHBondContact O-CG1 3.48Å; L477-I481 PolarHBondContact O-N 3.4Å; L477-I481 VanDerWaalsContact O-N 3.07Å
478	I	89.5	Confident	89.3	Confident	100 Å²	100	99 Å²	99	51%	0.513	49%	0.488	S	S	.	.	H	α-helix	trans	-59.6	-46.2	176.2	-68.8	168.8	0	0	0	110	L474 V475 R480 I481 F482	L474-I478 HydrophobicContact CD1-CD1 4.31Å; L474-I478 HydrophobicContact CG-CD1 3.93Å; L474-I478 VanDerWaalsContact O-CG1 3.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.33Å; L474-I478 PolarHBondContact O-N 2.79Å; V475-I478 PolarHBondContact O-N 3.48Å; I478-R480 PolarHBondContact O-N 2.95Å; I478-I481 PolarHBondContact O-N 3.47Å; I478-F482 WeakPolarHBondContact O-CB 3.15Å; I478-F482 PolarHBondContact O-N 2.92Å
479	W	87.3	Confident	88.9	Confident	83 Å²	83	92.8 Å²	92.8	31%	0.314	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-41.4	179.1	-174.3	-117.1	0	0	0	112.4	V475 I476 L477 I481 F482 I483 I492 W493	V475-W479 WeakPolarHBondContact O-CB 3.38Å; V475-W479 PolarHBondContact O-N 3.16Å; I476-W479 PolarHBondContact O-N 3.31Å; L477-W479 VanDerWaalsContact C-N 3.32Å; L477-W479 PolarHBondContact O-N 3.27Å; W479-I481 PolarHBondContact O-N 3.2Å; W479-F482 HydrophobicContact CE3-CD1 4.26Å; W479-F482 AromaticContact CZ3-CD1 3.97Å; W479-F482 HydrophobicContact CZ3-CD1 3.97Å; W479-F482 HydrophobicContact CZ3-CE1 4.48Å; W479-F482 PolarHBondContact O-N 3.49Å; W479-I483 HydrophobicContact CD2-CD1 4.2Å; W479-I483 HydrophobicContact CD2-CG1 4.29Å; W479-I483 VanDerWaalsContact CE2-CD1 3.49Å; W479-I483 HydrophobicContact CG-CD1 4.27Å; W479-I483 HydrophobicContact CZ2-CD1 3.93Å; W479-I483 HydrophobicContact CZ2-CG1 4.13Å; W479-I483 WeakPolarHBondContact O-CB 3.3Å; W479-I483 WeakPolarHBondContact O-CG1 3.44Å; W479-I483 PolarHBondContact O-N 2.85Å; W479-I492 HydrophobicContact CH2-CG2 4.49Å; W479-W493 AromaticContact CE2-CE3 3.71Å; W479-W493 HydrophobicContact CZ2-CB 4.08Å; W479-W493 HydrophobicContact CZ2-CD2 4.44Å; W479-W493 AromaticContact CZ2-CE3 3.81Å; W479-W493 HydrophobicContact CZ2-CE3 3.81Å; W479-W493 AromaticContact NE1-CD2 3.62Å; W479-W493 AromaticContact NE1-CE3 3.04Å; W479-W493 AromaticContact NE1-CZ3 3.34Å; W479-W493 VanDerWaalsContact NE1-CZ3 3.34Å
480	R	87.2	Confident	88.6	Confident	183 Å²	183	94.8 Å²	94.8	69%	0.691	46%	0.461	S	S	*	.	H	α-helix	trans	-60.2	-44.8	174	-83.5	-167.8	175.7	-151.1	0.3	112.4	I476 L477 I478 F482 A484	I476-R480 WeakPolarHBondContact O-CB 3.47Å; I476-R480 WeakPolarHBondContact O-CG 3.47Å; I476-R480 PolarHBondContact O-N 2.95Å; L477-R480 PolarHBondContact O-N 3.32Å; I478-R480 PolarHBondContact O-N 2.95Å; R480-F482 VanDerWaalsContact C-N 3.32Å; R480-A484 WeakPolarHBondContact O-CB 3.32Å; R480-A484 PolarHBondContact O-N 3.46Å
481	I	88.3	Confident	88.4	Confident	103 Å²	103	92.9 Å²	92.9	53%	0.528	46%	0.456	S	S	.	.	H	α-helix	trans	-63.8	-41.5	177.4	-65.9	167.2	0	0	0	110.3	L477 I478 W479 A484 R485	L477-I481 WeakPolarHBondContact O-CG1 3.48Å; L477-I481 PolarHBondContact O-N 3.4Å; L477-I481 VanDerWaalsContact O-N 3.07Å; I478-I481 PolarHBondContact O-N 3.47Å; W479-I481 PolarHBondContact O-N 3.2Å; I481-A484 PolarHBondContact O-N 3.05Å; I481-R485 PolarHBondContact O-N 3.26Å
482	F	87.3	Confident	88.2	Confident	113 Å²	113	93.5 Å²	93.5	50%	0.496	46%	0.459	S	S	.	.	H	α-helix	trans	-66.7	-45.2	-179.3	-167	-111.4	0	0	0	112.5	I478 W479 R480 A484 R485 S486 A489	I478-F482 WeakPolarHBondContact O-CB 3.15Å; I478-F482 PolarHBondContact O-N 2.92Å; W479-F482 HydrophobicContact CE3-CD1 4.26Å; W479-F482 AromaticContact CZ3-CD1 3.97Å; W479-F482 HydrophobicContact CZ3-CD1 3.97Å; W479-F482 HydrophobicContact CZ3-CE1 4.48Å; W479-F482 PolarHBondContact O-N 3.49Å; R480-F482 VanDerWaalsContact C-N 3.32Å; F482-A484 VanDerWaalsContact C-N 3.32Å; F482-A484 PolarHBondContact O-N 3.46Å; F482-R485 PolarHBondContact O-N 3.42Å; F482-S486 WeakPolarHBondContact O-CB 3.46Å; F482-S486 PolarHBondContact O-N 3.48Å; F482-A489 HydrophobicContact CD1-CB 3.39Å; F482-A489 HydrophobicContact CE1-CB 3.48Å; F482-A489 VanDerWaalsContact CE1-CB 3.48Å; F482-A489 HydrophobicContact CG-CB 4.36Å; F482-A489 HydrophobicContact CZ-CB 4.5Å
483	I	88.4	Confident	87.9	Confident	34 Å²	34	94.9 Å²	94.9	17%	0.174	46%	0.455	C	S	.	.	H	α-helix	trans	-59.6	-41.6	173	-76	-179	0	0	0	111.6	W479 R485 A489 R490 W493	W479-I483 HydrophobicContact CD2-CD1 4.2Å; W479-I483 HydrophobicContact CD2-CG1 4.29Å; W479-I483 VanDerWaalsContact CE2-CD1 3.49Å; W479-I483 HydrophobicContact CG-CD1 4.27Å; W479-I483 HydrophobicContact CZ2-CD1 3.93Å; W479-I483 HydrophobicContact CZ2-CG1 4.13Å; W479-I483 WeakPolarHBondContact O-CB 3.3Å; W479-I483 WeakPolarHBondContact O-CG1 3.44Å; W479-I483 PolarHBondContact O-N 2.85Å; I483-R485 PolarHBondContact O-N 3.5Å; I483-A489 HydrophobicContact CG1-CB 4.29Å; I483-R490 HydrophobicContact CG2-CG 3.73Å; I483-R490 VanDerWaalsContact O-CG 3.3Å; I483-R490 WeakPolarHBondContact O-CG 3.3Å; I483-R490 PolarHBondContact O-NH1 3.34Å; I483-R490 VanDerWaalsContact O-NH1 3.08Å; I483-W493 HydrophobicContact CD1-CB 3.67Å; I483-W493 HydrophobicContact CD1-CD2 3.87Å; I483-W493 HydrophobicContact CD1-CE3 4.41Å; I483-W493 HydrophobicContact CD1-CG 3.52Å; I483-W493 HydrophobicContact CG1-CB 4.4Å
484	A	84.4	Confident	87.5	Confident	69 Å²	69	97.8 Å²	97.8	57%	0.57	46%	0.46	S	S	*	.	H	α-helix	trans	-61.7	-34.5	179.1	0	0	0	0	0	111.7	R480 I481 F482 R490	R480-A484 WeakPolarHBondContact O-CB 3.32Å; R480-A484 PolarHBondContact O-N 3.46Å; I481-A484 PolarHBondContact O-N 3.05Å; F482-A484 VanDerWaalsContact C-N 3.32Å; F482-A484 PolarHBondContact O-N 3.46Å; A484-R490 PolarHBondContact O-NH1 2.9Å; A484-R490 VanDerWaalsContact O-NH1 3.09Å
485	R	87.6	Confident	87.3	Confident	218 Å²	218	100.9 Å²	100.9	82%	0.823	47%	0.471	S	S	*	.	H	α-helix	trans	-100.4	-8.6	-173.4	-65	-171.2	176.4	-167.2	-0.9	115.5	I481 F482 I483	I481-R485 PolarHBondContact O-N 3.26Å; F482-R485 PolarHBondContact O-N 3.42Å; I483-R485 PolarHBondContact O-N 3.5Å
486	S	89.2	Confident	87	Confident	29 Å²	29	99.2 Å²	99.2	20%	0.203	46%	0.461	C	S	.	.			trans	-131.9	121.6	-176.4	175.1	0	0	0	0	112.9	F482 M488 A489 R490	F482-S486 WeakPolarHBondContact O-CB 3.46Å; F482-S486 PolarHBondContact O-N 3.48Å; S486-M488 VanDerWaalsContact C-N 3.32Å; S486-M488 PolarHBondContact O-N 2.93Å; S486-M488 PolarHBondContact OG-N 3.29Å; S486-A489 PolarHBondContact O-N 2.9Å; S486-A489 PolarHBondContact OG-N 3.22Å; S486-R490 PolarHBondContact O-N 2.88Å; S486-R490 VanDerWaalsContact O-N 3.11Å
487	Q	85.4	Confident	86.7	Confident	107 Å²	107	98.2 Å²	98.2	50%	0.5	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-38.2	173.8	-173.8	64	32.2	0	0	111.7	A489 R490 N491	Q487-A489 VanDerWaalsContact C-N 3.33Å; Q487-A489 PolarHBondContact O-N 3.44Å; Q487-R490 WeakPolarHBondContact O-CB 3.39Å; Q487-R490 PolarHBondContact O-N 3.45Å; Q487-R490 VanDerWaalsContact OE1-CZ 3.24Å; Q487-N491 PolarHBondContact NE2-OD1 3.18Å; Q487-N491 VanDerWaalsContact NE2-OD1 3.14Å; Q487-N491 VanDerWaalsContact O-CG 3.27Å; Q487-N491 PolarHBondContact O-N 3.01Å; Q487-N491 PolarHBondContact O-OD1 2.96Å
488	M	85.2	Confident	86.4	Confident	136 Å²	136	96.3 Å²	96.3	67%	0.67	45%	0.453	S	S	*	.	H	α-helix	trans	-61.5	-42.7	176.2	-173.6	-178.9	-177.9	0	0	111.1	S486 N491 I492	S486-M488 VanDerWaalsContact C-N 3.32Å; S486-M488 PolarHBondContact O-N 2.93Å; S486-M488 PolarHBondContact OG-N 3.29Å; M488-N491 PolarHBondContact O-N 2.9Å; M488-I492 HydrophobicContact CE-CD1 4.33Å; M488-I492 HydrophobicContact CG-CD1 4.09Å; M488-I492 WeakPolarHBondContact O-CG1 3.39Å; M488-I492 PolarHBondContact O-N 2.9Å
489	A	83.9	Confident	86.2	Confident	1 Å²	1	96.4 Å²	96.4	1%	0.008	45%	0.454	C	S	.	.	H	α-helix	trans	-63.9	-40.4	176.7	0	0	0	0	0	112.5	F482 I483 S486 Q487 I492 W493	F482-A489 HydrophobicContact CD1-CB 3.39Å; F482-A489 HydrophobicContact CE1-CB 3.48Å; F482-A489 VanDerWaalsContact CE1-CB 3.48Å; F482-A489 HydrophobicContact CG-CB 4.36Å; F482-A489 HydrophobicContact CZ-CB 4.5Å; I483-A489 HydrophobicContact CG1-CB 4.29Å; S486-A489 PolarHBondContact O-N 2.9Å; S486-A489 PolarHBondContact OG-N 3.22Å; Q487-A489 VanDerWaalsContact C-N 3.33Å; Q487-A489 PolarHBondContact O-N 3.44Å; A489-I492 PolarHBondContact O-N 2.95Å; A489-W493 WeakPolarHBondContact O-CB 3.33Å; A489-W493 PolarHBondContact O-N 3.39Å
490	R	87.2	Confident	86.1	Confident	75 Å²	75	95.6 Å²	95.6	28%	0.283	46%	0.46	S	S	.	.	H	α-helix	trans	-58.2	-48.3	172.2	-75.2	-173	-73.1	-101.9	14.5	111.4	I483 A484 S486 Q487 I492 W493 Y494	I483-R490 HydrophobicContact CG2-CG 3.73Å; I483-R490 VanDerWaalsContact O-CG 3.3Å; I483-R490 WeakPolarHBondContact O-CG 3.3Å; I483-R490 PolarHBondContact O-NH1 3.34Å; I483-R490 VanDerWaalsContact O-NH1 3.08Å; A484-R490 PolarHBondContact O-NH1 2.9Å; A484-R490 VanDerWaalsContact O-NH1 3.09Å; S486-R490 PolarHBondContact O-N 2.88Å; S486-R490 VanDerWaalsContact O-N 3.11Å; Q487-R490 WeakPolarHBondContact O-CB 3.39Å; Q487-R490 PolarHBondContact O-N 3.45Å; Q487-R490 VanDerWaalsContact OE1-CZ 3.24Å; R490-I492 PolarHBondContact O-N 3.39Å; R490-W493 WeakPolarHBondContact O-CB 3.33Å; R490-W493 PolarHBondContact O-N 2.8Å; R490-Y494 HydrophobicContact CB-CD2 4.48Å; R490-Y494 HydrophobicContact CB-CE2 4.41Å; R490-Y494 WeakPolarHBondContact O-CD2 3.27Å; R490-Y494 PolarHBondContact O-N 2.99Å
491	N	87	Confident	86.1	Confident	92 Å²	92	95 Å²	95	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-43.6	-178.8	-66.8	-4.5	0	0	0	111.5	Q487 M488 W493 Y494 F495	Q487-N491 PolarHBondContact NE2-OD1 3.18Å; Q487-N491 VanDerWaalsContact NE2-OD1 3.14Å; Q487-N491 VanDerWaalsContact O-CG 3.27Å; Q487-N491 PolarHBondContact O-N 3.01Å; Q487-N491 PolarHBondContact O-OD1 2.96Å; M488-N491 PolarHBondContact O-N 2.9Å; N491-W493 VanDerWaalsContact C-N 3.33Å; N491-W493 PolarHBondContact O-N 3.06Å; N491-Y494 PolarHBondContact O-N 3.37Å; N491-F495 WeakPolarHBondContact O-CB 3.41Å; N491-F495 PolarHBondContact O-N 2.93Å
492	I	85.3	Confident	85.9	Confident	78 Å²	78	96.7 Å²	96.7	40%	0.4	46%	0.463	S	S	.	.	H	α-helix	trans	-60.2	-44.2	174.1	-68.6	167.4	0	0	0	110.6	W479 M488 A489 R490 F495 V496	W479-I492 HydrophobicContact CH2-CG2 4.49Å; M488-I492 HydrophobicContact CE-CD1 4.33Å; M488-I492 HydrophobicContact CG-CD1 4.09Å; M488-I492 WeakPolarHBondContact O-CG1 3.39Å; M488-I492 PolarHBondContact O-N 2.9Å; A489-I492 PolarHBondContact O-N 2.95Å; R490-I492 PolarHBondContact O-N 3.39Å; I492-F495 WeakPolarHBondContact O-CB 3.5Å; I492-F495 PolarHBondContact O-N 3.38Å; I492-V496 HydrophobicContact CG2-CG2 4.43Å; I492-V496 WeakPolarHBondContact O-CG2 3.48Å; I492-V496 PolarHBondContact O-N 3.38Å
493	W	84.8	Confident	85.7	Confident	112 Å²	112	97.7 Å²	97.7	42%	0.424	47%	0.468	S	S	.	.	H	α-helix	trans	-62.2	-48	178.2	-179.2	-110.9	0	0	0	112.6	W479 I483 A489 R490 N491 F495 V496 V497	W479-W493 AromaticContact CE2-CE3 3.71Å; W479-W493 HydrophobicContact CZ2-CB 4.08Å; W479-W493 HydrophobicContact CZ2-CD2 4.44Å; W479-W493 AromaticContact CZ2-CE3 3.81Å; W479-W493 HydrophobicContact CZ2-CE3 3.81Å; W479-W493 AromaticContact NE1-CD2 3.62Å; W479-W493 AromaticContact NE1-CE3 3.04Å; W479-W493 AromaticContact NE1-CZ3 3.34Å; W479-W493 VanDerWaalsContact NE1-CZ3 3.34Å; I483-W493 HydrophobicContact CD1-CB 3.67Å; I483-W493 HydrophobicContact CD1-CD2 3.87Å; I483-W493 HydrophobicContact CD1-CE3 4.41Å; I483-W493 HydrophobicContact CD1-CG 3.52Å; I483-W493 HydrophobicContact CG1-CB 4.4Å; A489-W493 WeakPolarHBondContact O-CB 3.33Å; A489-W493 PolarHBondContact O-N 3.39Å; R490-W493 WeakPolarHBondContact O-CB 3.33Å; R490-W493 PolarHBondContact O-N 2.8Å; N491-W493 VanDerWaalsContact C-N 3.33Å; N491-W493 PolarHBondContact O-N 3.06Å; W493-F495 VanDerWaalsContact C-N 3.29Å; W493-F495 PolarHBondContact O-N 3.29Å; W493-V496 PolarHBondContact O-N 2.99Å; W493-V497 HydrophobicContact CD2-CG2 3.95Å; W493-V497 HydrophobicContact CE3-CG2 4.44Å; W493-V497 HydrophobicContact CG-CG2 4.39Å; W493-V497 HydrophobicContact CH2-CG2 4.34Å; W493-V497 HydrophobicContact CZ2-CG2 3.79Å; W493-V497 WeakPolarHBondContact O-CB 3.41Å; W493-V497 VanDerWaalsContact O-CG2 3.32Å; W493-V497 WeakPolarHBondContact O-CG2 3.4Å; W493-V497 PolarHBondContact O-N 2.98Å
494	Y	84.9	Confident	85.3	Confident	164 Å²	164	101.7 Å²	101.7	64%	0.643	49%	0.488	S	S	*	.	H	α-helix	trans	-60.5	-39.8	176	-78.1	-63.9	0	0	0	112.1	R490 N491 S498	R490-Y494 HydrophobicContact CB-CD2 4.48Å; R490-Y494 HydrophobicContact CB-CE2 4.41Å; R490-Y494 WeakPolarHBondContact O-CD2 3.27Å; R490-Y494 PolarHBondContact O-N 2.99Å; N491-Y494 PolarHBondContact O-N 3.37Å; Y494-S498 WeakPolarHBondContact O-CB 3.49Å; Y494-S498 PolarHBondContact O-N 2.81Å
495	F	86.8	Confident	85	Confident	141 Å²	141	100.9 Å²	100.9	62%	0.618	48%	0.479	S	S	*	.	H	α-helix	trans	-60.9	-48.9	174.7	177.5	-98.6	0	0	0	111.8	N491 I492 W493 S498 L499	N491-F495 WeakPolarHBondContact O-CB 3.41Å; N491-F495 PolarHBondContact O-N 2.93Å; I492-F495 WeakPolarHBondContact O-CB 3.5Å; I492-F495 PolarHBondContact O-N 3.38Å; W493-F495 VanDerWaalsContact C-N 3.29Å; W493-F495 PolarHBondContact O-N 3.29Å; F495-S498 PolarHBondContact O-N 3.42Å; F495-L499 WeakPolarHBondContact O-CB 3.32Å; F495-L499 PolarHBondContact O-N 2.9Å
496	V	85.3	Confident	84.6	Confident	63 Å²	63	98.9 Å²	98.9	38%	0.382	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-45.6	178.9	172.3	0	0	0	0	111.5	I492 W493 S498 L499 C500	I492-V496 HydrophobicContact CG2-CG2 4.43Å; I492-V496 WeakPolarHBondContact O-CG2 3.48Å; I492-V496 PolarHBondContact O-N 3.38Å; W493-V496 PolarHBondContact O-N 2.99Å; V496-S498 VanDerWaalsContact C-N 3.34Å; V496-S498 PolarHBondContact O-N 3.29Å; V496-L499 WeakPolarHBondContact O-CB 3.34Å; V496-L499 PolarHBondContact O-N 3.44Å; V496-C500 PolarHBondContact O-N 3.23Å; V496-C500 PolarHBondContact O-SG 3.14Å; V496-C500 VanDerWaalsContact O-SG 3.35Å
497	V	85.7	Confident	83.7	Confident	66 Å²	66	103.3 Å²	103.3	40%	0.4	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-41.4	178.1	173	0	0	0	0	111.1	W493 C500 Y501	W493-V497 HydrophobicContact CD2-CG2 3.95Å; W493-V497 HydrophobicContact CE3-CG2 4.44Å; W493-V497 HydrophobicContact CG-CG2 4.39Å; W493-V497 HydrophobicContact CH2-CG2 4.34Å; W493-V497 HydrophobicContact CZ2-CG2 3.79Å; W493-V497 WeakPolarHBondContact O-CB 3.41Å; W493-V497 VanDerWaalsContact O-CG2 3.32Å; W493-V497 WeakPolarHBondContact O-CG2 3.4Å; W493-V497 PolarHBondContact O-N 2.98Å; V497-C500 PolarHBondContact O-N 3.34Å; V497-Y501 WeakPolarHBondContact O-CB 3.45Å; V497-Y501 PolarHBondContact O-N 3.39Å
498	S	83.1	Confident	82.8	Confident	55 Å²	55	107.7 Å²	107.7	39%	0.385	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-43.1	174.1	177.3	0	0	0	0	111.9	Y494 F495 V496 Y501 K502	Y494-S498 WeakPolarHBondContact O-CB 3.49Å; Y494-S498 PolarHBondContact O-N 2.81Å; F495-S498 PolarHBondContact O-N 3.42Å; V496-S498 VanDerWaalsContact C-N 3.34Å; V496-S498 PolarHBondContact O-N 3.29Å; S498-Y501 PolarHBondContact O-N 3.11Å; S498-K502 WeakPolarHBondContact O-CB 3.42Å; S498-K502 WeakPolarHBondContact O-CG 3.1Å; S498-K502 PolarHBondContact O-N 2.91Å
499	L	86.5	Confident	81.6	Confident	102 Å²	102	103.7 Å²	103.7	53%	0.534	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-46.7	176	-162.1	88.3	0	0	0	111.5	F495 V496 Y501 K502 F503	F495-L499 WeakPolarHBondContact O-CB 3.32Å; F495-L499 PolarHBondContact O-N 2.9Å; V496-L499 WeakPolarHBondContact O-CB 3.34Å; V496-L499 PolarHBondContact O-N 3.44Å; L499-Y501 VanDerWaalsContact C-N 3.34Å; L499-Y501 PolarHBondContact O-N 3.5Å; L499-K502 PolarHBondContact O-N 3.28Å; L499-F503 WeakPolarHBondContact O-CB 3.47Å; L499-F503 PolarHBondContact O-N 3.32Å
500	C	84.9	Confident	80.4	Confident	66 Å²	66	106.7 Å²	106.7	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-61.9	-41.3	176.6	-71.4	0	0	0	0	111.9	V496 V497 F503 L504	V496-C500 PolarHBondContact O-N 3.23Å; V496-C500 PolarHBondContact O-SG 3.14Å; V496-C500 VanDerWaalsContact O-SG 3.35Å; V497-C500 PolarHBondContact O-N 3.34Å; C500-F503 PolarHBondContact O-N 2.94Å; C500-L504 WeakPolarHBondContact O-CB 3.46Å; C500-L504 WeakPolarHBondContact O-CG 3.3Å; C500-L504 PolarHBondContact O-N 3.38Å
501	Y	85.9	Confident	78.9	Confident	172 Å²	172	107.3 Å²	107.3	68%	0.675	53%	0.525	S	S	*	.	H	α-helix	trans	-64.4	-43.6	176.2	-176.2	-93.8	0	0	0	111.9	V497 S498 L499 F503 L504 S505	V497-Y501 WeakPolarHBondContact O-CB 3.45Å; V497-Y501 PolarHBondContact O-N 3.39Å; S498-Y501 PolarHBondContact O-N 3.11Å; L499-Y501 VanDerWaalsContact C-N 3.34Å; L499-Y501 PolarHBondContact O-N 3.5Å; Y501-F503 VanDerWaalsContact C-N 3.33Å; Y501-F503 PolarHBondContact O-N 3.19Å; Y501-L504 PolarHBondContact O-N 2.99Å; Y501-S505 WeakPolarHBondContact O-CB 3.41Å; Y501-S505 PolarHBondContact O-N 2.89Å; Y501-S505 PolarHBondContact O-OG 2.92Å
502	K	84.8	Confident	77.4	Confident	137 Å²	137	108.2 Å²	108.2	60%	0.596	54%	0.535	S	S	*	.	H	α-helix	trans	-61.2	-40.8	172.9	-75.3	179.9	-178.8	-175.3	0	111.9	S498 L499 S505 Y506	S498-K502 WeakPolarHBondContact O-CB 3.42Å; S498-K502 WeakPolarHBondContact O-CG 3.1Å; S498-K502 PolarHBondContact O-N 2.91Å; L499-K502 PolarHBondContact O-N 3.28Å; K502-S505 VanDerWaalsContact CA-OG 3.28Å; K502-S505 WeakPolarHBondContact CA-OG 3.45Å; K502-S505 PolarHBondContact O-OG 3.46Å; K502-Y506 WeakPolarHBondContact O-CB 3.41Å; K502-Y506 PolarHBondContact O-N 3.11Å
503	F	83.9	Confident	75.9	Confident	135 Å²	135	111.9 Å²	111.9	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-68.2	-43.1	178.5	-162.3	-99.1	0	0	0	112.3	L499 C500 Y501 Y506 F507	L499-F503 WeakPolarHBondContact O-CB 3.47Å; L499-F503 PolarHBondContact O-N 3.32Å; C500-F503 PolarHBondContact O-N 2.94Å; Y501-F503 VanDerWaalsContact C-N 3.33Å; Y501-F503 PolarHBondContact O-N 3.19Å; F503-Y506 WeakPolarHBondContact O-CB 3.43Å; F503-Y506 PolarHBondContact O-N 3.44Å; F503-F507 AromaticContact CD1-CD2 4Å; F503-F507 HydrophobicContact CD1-CD2 4Å; F503-F507 HydrophobicContact CD1-CE2 4.09Å; F503-F507 AromaticContact CE1-CD2 3.75Å; F503-F507 HydrophobicContact CE1-CD2 3.75Å; F503-F507 AromaticContact CE1-CE2 3.37Å; F503-F507 HydrophobicContact CE1-CE2 3.37Å; F503-F507 HydrophobicContact CE1-CZ 4.44Å; F503-F507 HydrophobicContact CZ-CD2 4.25Å; F503-F507 AromaticContact CZ-CE2 3.56Å; F503-F507 HydrophobicContact CZ-CE2 3.56Å; F503-F507 PolarHBondContact O-N 3.49Å; F503-F507 HydrophobicContact CE2-CE2 4.38Å
504	L	80	Confident	74.3	Confident	117 Å²	117	117.2 Å²	117.2	61%	0.613	57%	0.572	S	S	*	*	H	α-helix	trans	-67.3	-38	176.3	-75.2	168.8	0	0	0	112.6	C500 Y501 Y506 F507 R508	C500-L504 WeakPolarHBondContact O-CB 3.46Å; C500-L504 WeakPolarHBondContact O-CG 3.3Å; C500-L504 PolarHBondContact O-N 3.38Å; Y501-L504 PolarHBondContact O-N 2.99Å; L504-Y506 VanDerWaalsContact C-N 3.35Å; L504-F507 PolarHBondContact O-N 3.07Å; L504-R508 PolarHBondContact O-N 3.04Å
505	S	77.9	Confident	72.5	Confident	53 Å²	53	123.8 Å²	123.8	37%	0.371	60%	0.598	S	S	.	*	H	α-helix	trans	-67.1	-36.4	174.1	50.5	0	0	0	0	111.8	Y501 K502 R508 A509	Y501-S505 WeakPolarHBondContact O-CB 3.41Å; Y501-S505 PolarHBondContact O-N 2.89Å; Y501-S505 PolarHBondContact O-OG 2.92Å; K502-S505 VanDerWaalsContact CA-OG 3.28Å; K502-S505 WeakPolarHBondContact CA-OG 3.45Å; K502-S505 PolarHBondContact O-OG 3.46Å; S505-R508 PolarHBondContact O-N 3.26Å; S505-A509 WeakPolarHBondContact O-CB 3.41Å; S505-A509 PolarHBondContact O-N 3.26Å
506	Y	78.6	Confident	71.8	Confident	175 Å²	175	122.9 Å²	122.9	69%	0.686	60%	0.597	S	S	*	*	H	α-helix	trans	-63	-41.6	172.9	-159.5	-93.8	0	0	0	112.6	K502 F503 L504 A509 S510	K502-Y506 WeakPolarHBondContact O-CB 3.41Å; K502-Y506 PolarHBondContact O-N 3.11Å; F503-Y506 WeakPolarHBondContact O-CB 3.43Å; F503-Y506 PolarHBondContact O-N 3.44Å; L504-Y506 VanDerWaalsContact C-N 3.35Å; Y506-A509 PolarHBondContact O-N 2.9Å; Y506-S510 PolarHBondContact O-N 3.43Å; Y506-S510 WeakPolarHBondContact O-CB 3.38Å
507	F	70.7	Confident	71	Confident	122 Å²	122	126.1 Å²	126.1	54%	0.535	61%	0.608	S	S	.	*	H	α-helix	trans	-66.9	-38.4	173.9	-95.8	-87.3	0	0	0	113.2	F503 L504 S510 S511	F503-F507 AromaticContact CD1-CD2 4Å; F503-F507 HydrophobicContact CD1-CD2 4Å; F503-F507 HydrophobicContact CD1-CE2 4.09Å; F503-F507 AromaticContact CE1-CD2 3.75Å; F503-F507 HydrophobicContact CE1-CD2 3.75Å; F503-F507 AromaticContact CE1-CE2 3.37Å; F503-F507 HydrophobicContact CE1-CE2 3.37Å; F503-F507 HydrophobicContact CE1-CZ 4.44Å; F503-F507 HydrophobicContact CZ-CD2 4.25Å; F503-F507 AromaticContact CZ-CE2 3.56Å; F503-F507 HydrophobicContact CZ-CE2 3.56Å; F503-F507 PolarHBondContact O-N 3.49Å; F503-F507 HydrophobicContact CE2-CE2 4.38Å; L504-F507 PolarHBondContact O-N 3.07Å; F507-S510 PolarHBondContact O-N 3.14Å; F507-S511 WeakPolarHBondContact O-CB 3.36Å; F507-S511 PolarHBondContact O-N 3.44Å; F507-S511 PolarHBondContact O-OG 3.27Å
508	R	65.3	Low	70.2	Confident	199 Å²	199	129.4 Å²	129.4	75%	0.751	62%	0.62	S	S	*	*	H	α-helix	trans	-64	-39.6	173.2	-90.3	-176	172	-179.9	-2.7	112.7	L504 S505 S511 T512	L504-R508 PolarHBondContact O-N 3.04Å; S505-R508 PolarHBondContact O-N 3.26Å; R508-S511 PolarHBondContact O-OG 3.08Å; R508-T512 PolarHBondContact O-N 3.09Å; R508-T512 PolarHBondContact O-OG1 3.2Å
509	A	61	Low	69.5	Low	52 Å²	52	133.8 Å²	133.8	43%	0.43	63%	0.633	S	S	.	*	H	α-helix	trans	-69.1	-37	175.2	0	0	0	0	0	111.8	S505 Y506 T512 M513	S505-A509 WeakPolarHBondContact O-CB 3.41Å; S505-A509 PolarHBondContact O-N 3.26Å; Y506-A509 PolarHBondContact O-N 2.9Å; A509-T512 WeakPolarHBondContact CA-OG1 3.47Å; A509-T512 PolarHBondContact O-N 3.31Å; A509-T512 PolarHBondContact O-OG1 3.46Å; A509-M513 PolarHBondContact O-N 2.89Å
510	S	58.3	Low	68.4	Low	65 Å²	65	135.8 Å²	135.8	46%	0.455	64%	0.64	S	S	.	*	H	α-helix	trans	-71.8	-34.9	176.2	174.2	0	0	0	0	113.1	Y506 F507 T512 M513	Y506-S510 PolarHBondContact O-N 3.43Å; Y506-S510 WeakPolarHBondContact O-CB 3.38Å; F507-S510 PolarHBondContact O-N 3.14Å; S510-T512 PolarHBondContact O-N 3.08Å; S510-M513 PolarHBondContact O-N 3.31Å
511	S	55.2	Low	67.3	Low	87 Å²	87	140.4 Å²	140.4	61%	0.608	65%	0.652	S	S	*	*	H	α-helix	trans	-72.5	-16.2	175.9	61.7	0	0	0	0	113.9	F507 R508	F507-S511 WeakPolarHBondContact O-CB 3.36Å; F507-S511 PolarHBondContact O-N 3.44Å; F507-S511 PolarHBondContact O-OG 3.27Å; R508-S511 PolarHBondContact O-OG 3.08Å
512	T	56.1	Low	66	Low	112 Å²	112	138.1 Å²	138.1	69%	0.687	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-8.1	175.2	34.5	0	0	0	0	113.3	R508 A509 S510	R508-T512 PolarHBondContact O-N 3.09Å; R508-T512 PolarHBondContact O-OG1 3.2Å; A509-T512 WeakPolarHBondContact CA-OG1 3.47Å; A509-T512 PolarHBondContact O-N 3.31Å; A509-T512 PolarHBondContact O-OG1 3.46Å; S510-T512 PolarHBondContact O-N 3.08Å
513	M	53.5	Low	64.5	Low	155 Å²	155	138.2 Å²	138.2	76%	0.764	66%	0.655	S	S	*	*			trans	-94.7	22.6	173.3	-70	-156.7	-64.9	0	0	114.1	A509 S510	A509-M513 PolarHBondContact O-N 2.89Å; S510-M513 PolarHBondContact O-N 3.31Å
514	R	52.2	Low	62.9	Low	223 Å²	223	138.5 Å²	138.5	84%	0.842	66%	0.66	S	S	*	*			trans	-100.3	81.3	162.7	-82.9	-171.6	176.4	-174.8	-1.4	109.3
515	Y	46	Very low	61.3	Low	302 Å²	302	140.5 Å²	140.5	100%	1.184	67%	0.665	S	S	*	*			trans	-151.5	0	152.2	-99.3	-75.4	0	0	0	108.6

Retrieved 515 of 515 residues in 430.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).