A0A087XT38_POEFO 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 A0A087XT38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 517 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	80.7	Confident	95.8	Very high	113 Å²	113	46.7 Å²	46.7	56%	0.557	28%	0.279	S	S	*	.				0	148.2	0	-75	177.8	-78.2	0	0	107.2	W290 F291 Q295 H415	M1-W290 HydrophobicContact CB-CH2 4.41Å; M1-W290 HydrophobicContact CB-CZ2 3.64Å; M1-W290 HydrophobicContact CE-CH2 3.85Å; M1-W290 HydrophobicContact CE-CZ2 4.25Å; M1-W290 HydrophobicContact CG-CZ2 4.48Å; M1-W290 HydrophobicContact SD-CH2 4.22Å; M1-W290 HydrophobicContact SD-CZ2 4.16Å; M1-F291 HydrophobicContact CE-CD2 3.8Å; M1-F291 HydrophobicContact CE-CE2 3.87Å; M1-F291 HydrophobicContact SD-CD2 4.06Å; M1-F291 HydrophobicContact SD-CE2 4.44Å; M1-Q295 HydrophobicContact SD-CG 4.24Å; M1-H415 HydrophobicContact CE-CB 3.76Å
2	V	91.8	Very high	96	Very high	72 Å²	72	43.5 Å²	43.5	44%	0.436	26%	0.259	S	S	.	.			trans	-58.8	159.8	167.7	-66.7	0	0	0	0	109.5	E6 W290	V2-E6 HydrophobicContact CB-CB 4.07Å; V2-W290 WeakPolarHBondContact O-CZ2 3.34Å; V2-W290 PolarHBondContact O-NE1 3.46Å
3	N	95.2	Very high	96.3	Very high	51 Å²	51	40.2 Å²	40.2	27%	0.273	24%	0.239	S	C	.	.			trans	-70.4	170.1	174.8	61.2	46.9	0	0	0	111.4	P5 E6 Y7 D420	N3-P5 WeakPolarHBondContact OD1-CD 3.12Å; N3-E6 VanDerWaalsContact CG-CD 3.41Å; N3-E6 PolarHBondContact N-OE2 3.43Å; N3-E6 PolarHBondContact ND2-OE1 2.73Å; N3-E6 PolarHBondContact ND2-OE2 3.32Å; N3-E6 PolarHBondContact O-N 3.47Å; N3-E6 WeakPolarHBondContact OD1-CB 3.17Å; N3-E6 VanDerWaalsContact OD1-CD 3.31Å; N3-E6 WeakPolarHBondContact OD1-CG 3.35Å; N3-E6 PolarHBondContact OD1-N 3.01Å; N3-Y7 PolarHBondContact O-N 3.2Å; N3-Y7 VanDerWaalsContact O-N 3.09Å; N3-D420 WeakPolarHBondContact CA-OD2 3.29Å; N3-D420 WeakPolarHBondContact CB-OD2 3.38Å
4	I	98	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-50.2	-175.5	-63.6	178.4	0	0	0	111.3	E6 Y7 Y8 A287 W290 M416 D420 F424	I4-E6 PolarHBondContact O-N 3.45Å; I4-Y7 WeakPolarHBondContact O-CB 3.46Å; I4-Y7 PolarHBondContact O-N 3.48Å; I4-Y8 HydrophobicContact CG2-CD2 3.94Å; I4-Y8 HydrophobicContact CG2-CE2 3.69Å; I4-Y8 VanDerWaalsContact O-CD2 3.23Å; I4-Y8 WeakPolarHBondContact O-CD2 3.23Å; I4-Y8 PolarHBondContact O-N 2.9Å; I4-A287 HydrophobicContact CD1-CB 3.96Å; I4-W290 HydrophobicContact CB-CG 4.37Å; I4-W290 HydrophobicContact CD1-CD2 4.48Å; I4-W290 HydrophobicContact CD1-CE3 4.44Å; I4-W290 HydrophobicContact CG1-CB 4.05Å; I4-W290 HydrophobicContact CG1-CD2 3.71Å; I4-W290 HydrophobicContact CG1-CE3 4.13Å; I4-W290 HydrophobicContact CG1-CG 3.66Å; I4-W290 HydrophobicContact CG2-CB 4.39Å; I4-M416 HydrophobicContact CD1-CE 3.81Å; I4-M416 HydrophobicContact CD1-CG 4.43Å; I4-D420 WeakPolarHBondContact CB-OD1 3.38Å; I4-D420 HydrophobicContact CD1-CB 4.06Å; I4-D420 HydrophobicContact CG1-CB 4.26Å; I4-D420 PolarHBondContact N-OD1 3.14Å; I4-D420 PolarHBondContact N-OD2 2.92Å; I4-F424 HydrophobicContact CB-CD2 3.96Å; I4-F424 HydrophobicContact CB-CE2 3.71Å; I4-F424 HydrophobicContact CB-CZ 4.28Å; I4-F424 HydrophobicContact CD1-CB 4.09Å; I4-F424 HydrophobicContact CD1-CD2 3.73Å; I4-F424 HydrophobicContact CD1-CE2 4.37Å; I4-F424 HydrophobicContact CD1-CG 3.95Å; I4-F424 HydrophobicContact CG1-CD2 4.39Å; I4-F424 HydrophobicContact CG2-CD1 4.42Å; I4-F424 HydrophobicContact CG2-CD2 3.97Å; I4-F424 HydrophobicContact CG2-CE1 4.07Å; I4-F424 HydrophobicContact CG2-CE2 3.58Å; I4-F424 HydrophobicContact CG2-CG 4.37Å; I4-F424 HydrophobicContact CG2-CZ 3.64Å
5	P	98.1	Very high	96.6	Very high	38 Å²	38	34.8 Å²	34.8	25%	0.247	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-41.4	179.5	-26.3	36.6	0	0	0	114.1	N3 Y7 Y8 A9 D420 F424	N3-P5 WeakPolarHBondContact OD1-CD 3.12Å; P5-Y7 VanDerWaalsContact C-N 3.33Å; P5-Y7 PolarHBondContact O-N 3.18Å; P5-Y8 PolarHBondContact O-N 2.8Å; P5-A9 PolarHBondContact O-N 2.82Å; P5-A9 VanDerWaalsContact O-N 3.17Å; P5-D420 WeakPolarHBondContact CD-OD1 3.44Å; P5-F424 HydrophobicContact CG-CE2 4.08Å; P5-F424 HydrophobicContact CG-CZ 4.45Å
6	E	97.8	Very high	96.6	Very high	110 Å²	110	32.6 Å²	32.6	51%	0.514	19%	0.194	S	C	.	.	H	α-helix	trans	-62.6	-38.9	176.7	-78	165.6	-163.8	0	0	112.2	V2 N3 I4 Y8 A9	V2-E6 HydrophobicContact CB-CB 4.07Å; N3-E6 VanDerWaalsContact CG-CD 3.41Å; N3-E6 PolarHBondContact N-OE2 3.43Å; N3-E6 PolarHBondContact ND2-OE1 2.73Å; N3-E6 PolarHBondContact ND2-OE2 3.32Å; N3-E6 PolarHBondContact O-N 3.47Å; N3-E6 WeakPolarHBondContact OD1-CB 3.17Å; N3-E6 VanDerWaalsContact OD1-CD 3.31Å; N3-E6 WeakPolarHBondContact OD1-CG 3.35Å; N3-E6 PolarHBondContact OD1-N 3.01Å; I4-E6 PolarHBondContact O-N 3.45Å; E6-Y8 VanDerWaalsContact C-N 3.28Å; E6-Y8 PolarHBondContact O-N 3.21Å; E6-A9 WeakPolarHBondContact O-CB 3.41Å; E6-A9 PolarHBondContact O-N 3.33Å; E6-A9 VanDerWaalsContact O-N 3.17Å
7	Y	98.1	Very high	96.5	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-37.1	175.7	170.4	-97.1	0	0	0	112.4	N3 I4 P5 A9 K11 I107 E146 W290 G293 S294	N3-Y7 PolarHBondContact O-N 3.2Å; N3-Y7 VanDerWaalsContact O-N 3.09Å; I4-Y7 WeakPolarHBondContact O-CB 3.46Å; I4-Y7 PolarHBondContact O-N 3.48Å; P5-Y7 VanDerWaalsContact C-N 3.33Å; P5-Y7 PolarHBondContact O-N 3.18Å; Y7-A9 VanDerWaalsContact C-N 3.32Å; Y7-K11 VanDerWaalsContact CZ-NZ 3.29Å; Y7-K11 WeakPolarHBondContact O-CD 2.78Å; Y7-K11 WeakPolarHBondContact O-CE 3.4Å; Y7-K11 PolarHBondContact O-NZ 2.79Å; Y7-I107 HydrophobicContact CD1-CD1 4.41Å; Y7-I107 HydrophobicContact CE1-CD1 3.51Å; Y7-I107 HydrophobicContact CE1-CG1 4.49Å; Y7-E146 WeakPolarHBondContact CE2-OE2 3.35Å; Y7-E146 VanDerWaalsContact CZ-OE2 3.24Å; Y7-E146 PolarHBondContact OH-OE2 3.4Å; Y7-W290 VanDerWaalsContact CB-CD1 3.43Å; Y7-W290 HydrophobicContact CD1-CB 3.97Å; Y7-W290 HydrophobicContact CE1-CB 4.42Å; Y7-W290 HydrophobicContact CG-CB 4.37Å; Y7-W290 AromaticContact CG-CD1 3.71Å; Y7-W290 HydrophobicContact CG-CG 4.44Å; Y7-G293 WeakPolarHBondContact OH-CA 3.21Å; Y7-S294 VanDerWaalsContact CD2-OG 3.26Å; Y7-S294 WeakPolarHBondContact CD2-OG 3.4Å
8	Y	98.6	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-80.7	-13.1	178.1	-74.6	-77.1	0	0	0	113.5	I4 P5 E6 G10 K11 V13 L30 C34 V37 I107 F109 L286 A289	I4-Y8 HydrophobicContact CG2-CD2 3.94Å; I4-Y8 HydrophobicContact CG2-CE2 3.69Å; I4-Y8 VanDerWaalsContact O-CD2 3.23Å; I4-Y8 WeakPolarHBondContact O-CD2 3.23Å; I4-Y8 PolarHBondContact O-N 2.9Å; P5-Y8 PolarHBondContact O-N 2.8Å; E6-Y8 VanDerWaalsContact C-N 3.28Å; E6-Y8 PolarHBondContact O-N 3.21Å; Y8-G10 PolarHBondContact O-N 3.39Å; Y8-K11 PolarHBondContact O-N 3.34Å; Y8-V13 HydrophobicContact CD1-CG2 4.35Å; Y8-L30 HydrophobicContact CD1-CD1 3.64Å; Y8-L30 HydrophobicContact CD2-CD1 4.32Å; Y8-L30 HydrophobicContact CE1-CD1 3.92Å; Y8-L30 HydrophobicContact CG-CD1 3.87Å; Y8-C34 HydrophobicContact CD2-CB 4.35Å; Y8-C34 VanDerWaalsContact CD2-SG 3.53Å; Y8-C34 HydrophobicContact CG-CB 4.26Å; Y8-V37 WeakPolarHBondContact O-CA 3.23Å; Y8-I107 HydrophobicContact CD1-CD1 3.59Å; Y8-I107 HydrophobicContact CE1-CD1 3.42Å; Y8-I107 VanDerWaalsContact CE1-CD1 3.42Å; Y8-F109 HydrophobicContact CE1-CE2 4.34Å; Y8-F109 HydrophobicContact CE1-CZ 4.29Å; Y8-L286 HydrophobicContact CE1-CD2 4.42Å; Y8-L286 HydrophobicContact CE2-CD2 4.34Å; Y8-L286 WeakPolarHBondContact OH-CA 3.24Å; Y8-L286 PolarHBondContact OH-O 3.34Å; Y8-A289 WeakPolarHBondContact OH-CB 3.4Å
9	A	98.5	Very high	96.2	Very high	48 Å²	48	30.5 Å²	30.5	40%	0.397	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	131.4	-177	0	0	0	0	0	111.9	P5 E6 Y7 K11 G36	P5-A9 PolarHBondContact O-N 2.82Å; P5-A9 VanDerWaalsContact O-N 3.17Å; E6-A9 WeakPolarHBondContact O-CB 3.41Å; E6-A9 PolarHBondContact O-N 3.33Å; E6-A9 VanDerWaalsContact O-N 3.17Å; Y7-A9 VanDerWaalsContact C-N 3.32Å; A9-K11 PolarHBondContact O-N 3.33Å; A9-G36 CarbonylContact C-O 3.56Å; A9-G36 WeakPolarHBondContact CA-O 3.34Å
10	G	98.4	Very high	96.1	Very high	49 Å²	49	30.7 Å²	30.7	51%	0.505	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-1.5	-179.7	0	0	0	0	0	115.4	Y8 G36	Y8-G10 PolarHBondContact O-N 3.39Å; G10-G36 PolarHBondContact N-O 3.5Å
11	K	98.6	Very high	95.9	Very high	25 Å²	25	30.7 Å²	30.7	11%	0.109	19%	0.192	C	C	.	.			trans	-89.8	150.4	-175.8	-64.9	-170.3	-175.7	167.9	0	113.3	Y7 Y8 A9 V37 K38 N106 I107 E146	Y7-K11 VanDerWaalsContact CZ-NZ 3.29Å; Y7-K11 WeakPolarHBondContact O-CD 2.78Å; Y7-K11 WeakPolarHBondContact O-CE 3.4Å; Y7-K11 PolarHBondContact O-NZ 2.79Å; Y8-K11 PolarHBondContact O-N 3.34Å; A9-K11 PolarHBondContact O-N 3.33Å; K11-V37 VanDerWaalsContact O-CG2 3.31Å; K11-V37 WeakPolarHBondContact O-CG2 3.26Å; K11-K38 PolarHBondContact O-N 3.41Å; K11-N106 WeakPolarHBondContact CA-OD1 3.17Å; K11-N106 HydrophobicContact CB-CB 4.06Å; K11-N106 HydrophobicContact CD-CB 4.17Å; K11-N106 HydrophobicContact CG-CB 4.2Å; K11-I107 HydrophobicContact CB-CD1 4.49Å; K11-I107 HydrophobicContact CD-CD1 3.83Å; K11-I107 HydrophobicContact CD-CG1 4.36Å; K11-E146 WeakPolarHBondContact CE-OE1 3.3Å; K11-E146 WeakPolarHBondContact CE-OE2 3.18Å; K11-E146 VanDerWaalsContact NZ-CD 3.27Å; K11-E146 IonicContact NZ-OE1 3.22Å; K11-E146 PolarHBondContact NZ-OE1 3.23Å; K11-E146 VanDerWaalsContact NZ-OE1 3.09Å; K11-E146 IonicContact NZ-OE2 3.19Å; K11-E146 PolarHBondContact NZ-OE2 3.29Å
12	N	98.8	Very high	96.6	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.1	170	-58.2	-51.6	0	0	0	110.5	T39 Y41 N104 I105 N106 I107	N12-T39 CarbonylContact C-O 3.58Å; N12-T39 VanDerWaalsContact CA-O 3.27Å; N12-T39 WeakPolarHBondContact CA-O 3.13Å; N12-T39 WeakPolarHBondContact OD1-CB 3.49Å; N12-Y41 HydrophobicContact CB-CD2 4.47Å; N12-Y41 HydrophobicContact CB-CE2 4Å; N12-N104 VanDerWaalsContact CB-O 3.27Å; N12-N104 WeakPolarHBondContact CB-O 3.48Å; N12-N104 PolarHBondContact ND2-O 2.81Å; N12-I105 HydrophobicContact CB-CD1 4.18Å; N12-N106 PolarHBondContact N-OD1 3.41Å; N12-N106 PolarHBondContact O-N 3.4Å; N12-I107 PolarHBondContact O-N 3.01Å
13	V	98.9	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.3	-175.3	-178	0	0	0	0	109.8	Y8 I15 L30 V37 T39 V40 Y41 I107 F109	Y8-V13 HydrophobicContact CD1-CG2 4.35Å; V13-I15 HydrophobicContact CG1-CG1 4Å; V13-L30 HydrophobicContact CB-CD2 4.2Å; V13-L30 HydrophobicContact CG1-CD2 4.03Å; V13-L30 HydrophobicContact CG2-CD2 4.07Å; V13-V37 HydrophobicContact CG2-CG2 3.88Å; V13-T39 PolarHBondContact N-O 3.43Å; V13-V40 HydrophobicContact CB-CG1 4.4Å; V13-V40 CarbonylContact O-C 3.39Å; V13-V40 WeakPolarHBondContact O-CA 3.38Å; V13-Y41 PolarHBondContact O-N 3.45Å; V13-I107 CarbonylContact C-O 3.56Å; V13-I107 WeakPolarHBondContact CA-O 3.2Å; V13-I107 HydrophobicContact CG1-CB 4.44Å; V13-I107 HydrophobicContact CG1-CG2 4.41Å; V13-I107 HydrophobicContact CG2-CB 4.22Å; V13-I107 HydrophobicContact CG2-CD1 4.35Å; V13-F109 HydrophobicContact CG1-CD2 3.53Å; V13-F109 HydrophobicContact CG1-CE2 3.65Å
14	L	98.8	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.6	170.9	-177.9	62.1	0	0	0	109.9	Y41 M43 L101 I105 I107 V108 F109 M135 M142	L14-Y41 CarbonylContact C-O 3.38Å; L14-Y41 WeakPolarHBondContact CA-O 3.47Å; L14-M43 HydrophobicContact CD1-CG 3.63Å; L14-M43 HydrophobicContact CD1-SD 3.94Å; L14-M43 HydrophobicContact CD2-SD 3.98Å; L14-M43 HydrophobicContact CG-CG 4.37Å; L14-M43 HydrophobicContact CG-SD 4.09Å; L14-L101 HydrophobicContact CD1-CD1 4.38Å; L14-L101 HydrophobicContact CD1-CD2 3.82Å; L14-L101 HydrophobicContact CD2-CD1 4.31Å; L14-L101 HydrophobicContact CD2-CD2 4.43Å; L14-I105 HydrophobicContact CB-CD1 3.86Å; L14-I105 HydrophobicContact CB-CG1 4.14Å; L14-I105 HydrophobicContact CB-CG2 3.95Å; L14-I107 PolarHBondContact N-O 3.47Å; L14-V108 HydrophobicContact CB-CG2 4.24Å; L14-V108 HydrophobicContact CD2-CG2 4.38Å; L14-V108 CarbonylContact O-C 3.03Å; L14-V108 WeakPolarHBondContact O-CA 3.27Å; L14-F109 PolarHBondContact O-N 2.95Å; L14-M135 HydrophobicContact CD2-CE 4.08Å; L14-M142 HydrophobicContact CD2-CE 3.78Å
15	I	98.6	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.1	175.8	-52.8	179.9	0	0	0	109.6	V13 A18 L26 L27 V40 Y41 M43 F109	V13-I15 HydrophobicContact CG1-CG1 4Å; I15-A18 HydrophobicContact CB-CB 4.29Å; I15-A18 HydrophobicContact CG2-CB 3.91Å; I15-L26 HydrophobicContact CD1-CD2 4.13Å; I15-L26 HydrophobicContact CD1-CG 4.19Å; I15-L26 HydrophobicContact CG1-CD2 4.48Å; I15-L26 HydrophobicContact CG2-CD2 4.14Å; I15-L27 HydrophobicContact CD1-CB 4.46Å; I15-L27 HydrophobicContact CD1-CD1 4.3Å; I15-V40 HydrophobicContact CD1-CG1 3.66Å; I15-V40 HydrophobicContact CG1-CG1 4.02Å; I15-Y41 PolarHBondContact N-O 2.78Å; I15-M43 PolarHBondContact O-N 3.49Å; I15-F109 WeakPolarHBondContact CA-O 3.3Å; I15-F109 HydrophobicContact CG1-CB 4.39Å; I15-F109 HydrophobicContact CG1-CD2 4.28Å
16	S	97.4	Very high	96.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	143.3	165.5	99.6	0	0	0	0	110.1	A18 F109 H110 C111 A112	S16-A18 VanDerWaalsContact C-N 3.3Å; S16-A18 PolarHBondContact O-N 3.48Å; S16-F109 PolarHBondContact N-O 3.22Å; S16-H110 PolarHBondContact OG-ND1 2.95Å; S16-C111 WeakPolarHBondContact O-CB 3.35Å; S16-C111 PolarHBondContact O-N 2.9Å; S16-C111 PolarHBondContact OG-N 2.88Å; S16-A112 PolarHBondContact O-N 3.24Å; S16-A112 VanDerWaalsContact OG-CB 3.22Å; S16-A112 WeakPolarHBondContact OG-CB 3.45Å; S16-A112 PolarHBondContact OG-N 2.91Å; S16-A112 VanDerWaalsContact OG-N 3.17Å
17	G	94.3	Very high	96.9	Very high	21 Å²	21	15.6 Å²	15.6	22%	0.216	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	20.1	-179.2	0	0	0	0	0	114	T19 G20	G17-T19 PolarHBondContact O-N 3.26Å; G17-T19 VanDerWaalsContact O-N 3.15Å; G17-G20 PolarHBondContact O-N 3.42Å
18	A	94.6	Very high	96.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.1	-179.4	0	0	0	0	0	113.7	I15 S16 G20 G23 K24 V42	I15-A18 HydrophobicContact CB-CB 4.29Å; I15-A18 HydrophobicContact CG2-CB 3.91Å; S16-A18 VanDerWaalsContact C-N 3.3Å; S16-A18 PolarHBondContact O-N 3.48Å; A18-G20 VanDerWaalsContact C-N 3.28Å; A18-G20 PolarHBondContact O-N 3.31Å; A18-G23 CarbonylContact O-C 3.58Å; A18-K24 WeakPolarHBondContact O-CG 3.48Å; A18-K24 PolarHBondContact O-N 3.26Å; A18-V42 HydrophobicContact CB-CB 3.74Å; A18-V42 HydrophobicContact CB-CG1 3.66Å
19	T	93.1	Very high	96.9	Very high	37 Å²	37	15.4 Å²	15.4	23%	0.227	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6	177.6	58.5	0	0	0	0	114.4	G17 K24 V44 R55 M59	G17-T19 PolarHBondContact O-N 3.26Å; G17-T19 VanDerWaalsContact O-N 3.15Å; T19-K24 WeakPolarHBondContact O-CE 3.34Å; T19-V44 HydrophobicContact CG2-CG1 3.99Å; T19-V44 HydrophobicContact CG2-CG2 3.91Å; T19-R55 PolarHBondContact OG1-NH2 2.74Å; T19-M59 HydrophobicContact CG2-SD 3.89Å
20	G	93	Very high	96.9	Very high	33 Å²	33	13.1 Å²	13.1	34%	0.34	9%	0.091	S	C	.	.	S	Bend	trans	-82.4	167.8	174.4	0	0	0	0	0	112.6	G17 A18 M22 G23 K24	G17-G20 PolarHBondContact O-N 3.42Å; A18-G20 VanDerWaalsContact C-N 3.28Å; A18-G20 PolarHBondContact O-N 3.31Å; G20-M22 PolarHBondContact O-N 2.71Å; G20-G23 PolarHBondContact O-N 3.25Å; G20-G23 VanDerWaalsContact O-N 3.13Å; G20-K24 WeakPolarHBondContact O-CG 3.36Å; G20-K24 PolarHBondContact O-N 3.09Å
21	F	93.9	Very high	96.9	Very high	32 Å²	32	10.9 Å²	10.9	14%	0.14	7%	0.068	C	C	.	.	H	α-helix	trans	-51.3	-57.8	-175.4	175.8	-127.6	0	0	0	113.5	G23 V25 V232 G233 W243 I244 D245 N246 V278	F21-G23 PolarHBondContact O-N 3Å; F21-V25 PolarHBondContact O-N 3.39Å; F21-V232 HydrophobicContact CD1-CG1 4.44Å; F21-V232 HydrophobicContact CE1-CG1 3.88Å; F21-G233 WeakPolarHBondContact CZ-O 3.5Å; F21-W243 HydrophobicContact CD2-CE3 4.47Å; F21-W243 AromaticContact CD2-CH2 3.95Å; F21-W243 HydrophobicContact CD2-CH2 3.95Å; F21-W243 AromaticContact CD2-CZ3 3.56Å; F21-W243 HydrophobicContact CD2-CZ3 3.56Å; F21-W243 AromaticContact CE2-CE3 3.76Å; F21-W243 HydrophobicContact CE2-CE3 3.76Å; F21-W243 HydrophobicContact CE2-CH2 4.06Å; F21-W243 AromaticContact CE2-CZ3 3.26Å; F21-W243 HydrophobicContact CE2-CZ3 3.26Å; F21-W243 HydrophobicContact CZ-CZ3 4.38Å; F21-I244 HydrophobicContact CD1-CD1 4.46Å; F21-I244 HydrophobicContact CD2-CD1 4.14Å; F21-I244 HydrophobicContact CE1-CD1 3.85Å; F21-I244 HydrophobicContact CE2-CD1 3.5Å; F21-I244 VanDerWaalsContact CE2-CD1 3.5Å; F21-I244 HydrophobicContact CZ-CD1 3.34Å; F21-D245 VanDerWaalsContact CD2-OD1 3.31Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.23Å; F21-N246 WeakPolarHBondContact CB-ND2 3.44Å; F21-N246 WeakPolarHBondContact CD2-ND2 3.46Å; F21-N246 VanDerWaalsContact CG-ND2 3.27Å; F21-N246 WeakPolarHBondContact CG-ND2 3.49Å; F21-V278 HydrophobicContact CD1-CG2 4.24Å; F21-V278 HydrophobicContact CE1-CB 3.74Å; F21-V278 HydrophobicContact CE1-CG1 4.26Å; F21-V278 HydrophobicContact CE1-CG2 3.8Å; F21-V278 HydrophobicContact CE2-CG1 4.26Å; F21-V278 HydrophobicContact CZ-CB 3.67Å; F21-V278 HydrophobicContact CZ-CG1 3.65Å; F21-V278 HydrophobicContact CZ-CG2 3.93Å
22	M	95.2	Very high	96.9	Very high	33 Å²	33	10.5 Å²	10.5	16%	0.163	7%	0.066	C	C	.	.	H	α-helix	trans	-64.3	-40.2	176.6	-70.2	179.5	62.9	0	0	112.4	G20 K24 V25 L26 V151 P229 V232 V278 V281 I282	G20-M22 PolarHBondContact O-N 2.71Å; M22-K24 VanDerWaalsContact C-N 3.32Å; M22-K24 PolarHBondContact O-N 2.75Å; M22-V25 PolarHBondContact O-N 3.31Å; M22-L26 WeakPolarHBondContact O-CB 3.36Å; M22-L26 PolarHBondContact O-N 3.21Å; M22-V151 HydrophobicContact CE-CG1 3.98Å; M22-P229 HydrophobicContact CE-CG 4.3Å; M22-P229 HydrophobicContact SD-CG 4.48Å; M22-V232 HydrophobicContact CG-CG1 4.4Å; M22-V232 HydrophobicContact SD-CG2 4.04Å; M22-V278 HydrophobicContact CG-CG2 4.09Å; M22-V281 HydrophobicContact CE-CB 4.34Å; M22-V281 HydrophobicContact CE-CG1 3.41Å; M22-V281 VanDerWaalsContact CE-CG1 3.41Å; M22-I282 HydrophobicContact CB-CD1 4.23Å; M22-I282 HydrophobicContact CE-CD1 4.2Å
23	G	96.1	Very high	96.8	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-60.7	-38.8	-178.5	0	0	0	0	0	113.1	A18 G20 F21 L26 L27	A18-G23 CarbonylContact O-C 3.58Å; G20-G23 PolarHBondContact O-N 3.25Å; G20-G23 VanDerWaalsContact O-N 3.13Å; F21-G23 PolarHBondContact O-N 3Å; G23-L26 PolarHBondContact O-N 3.49Å; G23-L27 WeakPolarHBondContact O-CB 2.82Å; G23-L27 PolarHBondContact O-N 3.09Å
24	K	96.1	Very high	96.7	Very high	29 Å²	29	10.9 Å²	10.9	13%	0.126	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-44.7	176.3	-67.9	180	-170.2	175.9	0	111.5	A18 T19 G20 M22 L26 L27 E28 M59 L64 F65 D245	A18-K24 WeakPolarHBondContact O-CG 3.48Å; A18-K24 PolarHBondContact O-N 3.26Å; T19-K24 WeakPolarHBondContact O-CE 3.34Å; G20-K24 WeakPolarHBondContact O-CG 3.36Å; G20-K24 PolarHBondContact O-N 3.09Å; M22-K24 VanDerWaalsContact C-N 3.32Å; M22-K24 PolarHBondContact O-N 2.75Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L27 PolarHBondContact O-N 3.33Å; K24-E28 WeakPolarHBondContact O-CB 3.05Å; K24-E28 PolarHBondContact O-N 3.19Å; K24-M59 HydrophobicContact CD-CG 4.14Å; K24-M59 HydrophobicContact CG-CG 3.9Å; K24-M59 HydrophobicContact CG-SD 3.8Å; K24-L64 HydrophobicContact CB-CD2 3.5Å; K24-L64 VanDerWaalsContact CB-CD2 3.5Å; K24-F65 HydrophobicContact CB-CZ 4.45Å; K24-D245 IonicContact NZ-OD2 3.71Å; K24-D245 PolarHBondContact NZ-OD2 3.14Å
25	V	97.6	Very high	96.6	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.018	9%	0.085	C	C	.	.	H	α-helix	trans	-66	-39	178.3	-177.1	0	0	0	0	110.6	F21 M22 K29 L64 W243 V278 I282	F21-V25 PolarHBondContact O-N 3.39Å; M22-V25 PolarHBondContact O-N 3.31Å; V25-K29 WeakPolarHBondContact O-CB 3.27Å; V25-K29 PolarHBondContact O-N 3.47Å; V25-L64 HydrophobicContact CG2-CD1 4.13Å; V25-L64 HydrophobicContact CG2-CD2 4.47Å; V25-W243 HydrophobicContact CG2-CE3 3.93Å; V25-W243 HydrophobicContact CG2-CH2 4.15Å; V25-W243 HydrophobicContact CG2-CZ3 3.31Å; V25-V278 HydrophobicContact CB-CG2 4.07Å; V25-V278 HydrophobicContact CG1-CG1 4.45Å; V25-V278 HydrophobicContact CG1-CG2 4.31Å; V25-V278 HydrophobicContact CG2-CG1 4.04Å; V25-V278 HydrophobicContact CG2-CG2 3.82Å; V25-I282 HydrophobicContact CB-CG1 3.89Å; V25-I282 HydrophobicContact CG1-CB 4.16Å; V25-I282 HydrophobicContact CG1-CG1 3.71Å; V25-I282 HydrophobicContact CG1-CG2 4.36Å
26	L	98.5	Very high	96.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-49.1	174	-178.8	62	0	0	0	111.7	I15 M22 G23 K24 L30 F109 I282 L286	I15-L26 HydrophobicContact CD1-CD2 4.13Å; I15-L26 HydrophobicContact CD1-CG 4.19Å; I15-L26 HydrophobicContact CG1-CD2 4.48Å; I15-L26 HydrophobicContact CG2-CD2 4.14Å; M22-L26 WeakPolarHBondContact O-CB 3.36Å; M22-L26 PolarHBondContact O-N 3.21Å; G23-L26 PolarHBondContact O-N 3.49Å; K24-L26 VanDerWaalsContact C-N 3.33Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 PolarHBondContact O-N 3.17Å; L26-F109 HydrophobicContact CD2-CB 3.74Å; L26-F109 HydrophobicContact CD2-CD1 4.14Å; L26-F109 HydrophobicContact CD2-CD2 4.16Å; L26-F109 HydrophobicContact CD2-CG 3.77Å; L26-I282 HydrophobicContact CB-CD1 3.84Å; L26-I282 HydrophobicContact CB-CG1 4.37Å; L26-I282 HydrophobicContact CB-CG2 4.29Å; L26-I282 HydrophobicContact CD1-CD1 4.44Å; L26-I282 HydrophobicContact CD1-CG2 3.95Å; L26-L286 HydrophobicContact CD1-CD1 4.37Å; L26-L286 HydrophobicContact CD1-CD2 3.61Å; L26-L286 HydrophobicContact CD1-CG 3.79Å
27	L	98.3	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.9	-48.4	179	-179.6	63.3	0	0	0	111.6	I15 G23 K24 L31 V40 V42 M59 F65 I79	I15-L27 HydrophobicContact CD1-CB 4.46Å; I15-L27 HydrophobicContact CD1-CD1 4.3Å; G23-L27 WeakPolarHBondContact O-CB 2.82Å; G23-L27 PolarHBondContact O-N 3.09Å; K24-L27 PolarHBondContact O-N 3.33Å; L27-L31 HydrophobicContact CD1-CD1 3.63Å; L27-L31 HydrophobicContact CD1-CG 4.25Å; L27-L31 HydrophobicContact CG-CD1 3.94Å; L27-L31 WeakPolarHBondContact O-CB 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 3.02Å; L27-V40 HydrophobicContact CD1-CB 4.12Å; L27-V40 HydrophobicContact CD1-CG1 3.58Å; L27-V42 HydrophobicContact CD1-CG1 4.28Å; L27-V42 HydrophobicContact CD2-CG1 4.3Å; L27-M59 HydrophobicContact CD2-CE 3.42Å; L27-M59 VanDerWaalsContact CD2-CE 3.42Å; L27-F65 HydrophobicContact CD2-CE1 4.27Å; L27-F65 HydrophobicContact CD2-CZ 4.26Å; L27-F65 HydrophobicContact CG-CE1 4.31Å; L27-I79 HydrophobicContact CD1-CD1 4.47Å; L27-I79 HydrophobicContact CD1-CG1 4.43Å; L27-I79 HydrophobicContact CD2-CD1 4.19Å
28	E	98.1	Very high	96.8	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-51	177.6	-170.4	-79.1	155.9	0	0	111.2	K24 L30 L31 R32 L64 F65 L68	K24-E28 WeakPolarHBondContact O-CB 3.05Å; K24-E28 PolarHBondContact O-N 3.19Å; E28-L30 PolarHBondContact O-N 3.38Å; E28-L31 PolarHBondContact O-N 2.76Å; E28-R32 VanDerWaalsContact O-CB 3.26Å; E28-R32 WeakPolarHBondContact O-CB 3.47Å; E28-R32 PolarHBondContact O-N 2.81Å; E28-R32 VanDerWaalsContact OE1-CD 3.3Å; E28-R32 WeakPolarHBondContact OE1-CD 3.45Å; E28-R32 IonicContact OE1-CZ 3.64Å; E28-R32 IonicContact OE1-NE 3.97Å; E28-R32 PolarHBondContact OE1-NE 3.44Å; E28-R32 IonicContact OE1-NH2 3.42Å; E28-R32 IonicContact OE2-CZ 4Å; E28-R32 IonicContact OE2-NE 2.68Å; E28-R32 PolarHBondContact OE2-NE 3.4Å; E28-R32 IonicContact OE2-NH2 3.83Å; E28-R32 PolarHBondContact OE2-NH2 2.76Å; E28-L64 HydrophobicContact CB-CD2 4.21Å; E28-L64 HydrophobicContact CB-CG 4.29Å; E28-L64 HydrophobicContact CG-CG 4.23Å; E28-F65 HydrophobicContact CB-CD1 4.06Å; E28-F65 HydrophobicContact CB-CE1 3.86Å; E28-F65 HydrophobicContact CG-CD1 4.08Å; E28-F65 HydrophobicContact CG-CE1 4.4Å; E28-L68 HydrophobicContact CG-CB 4.24Å
29	K	98.3	Very high	97	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.013	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-43.5	-176.5	-179.5	61.4	-176.3	173	0	111.8	V25 S33 E238 I282 N283 L286 V423	V25-K29 WeakPolarHBondContact O-CB 3.27Å; V25-K29 PolarHBondContact O-N 3.47Å; K29-S33 WeakPolarHBondContact CD-OG 3.38Å; K29-S33 WeakPolarHBondContact CE-OG 3.12Å; K29-S33 PolarHBondContact NZ-OG 3.17Å; K29-S33 VanDerWaalsContact O-CB 3.26Å; K29-S33 WeakPolarHBondContact O-CB 3.5Å; K29-S33 PolarHBondContact O-N 2.63Å; K29-S33 PolarHBondContact O-OG 2.84Å; K29-E238 WeakPolarHBondContact CD-OE2 3.42Å; K29-E238 WeakPolarHBondContact CE-OE2 3.3Å; K29-E238 IonicContact NZ-OE1 2.61Å; K29-E238 IonicContact NZ-OE2 3.09Å; K29-E238 PolarHBondContact NZ-OE2 3.22Å; K29-I282 HydrophobicContact CB-CG2 3.82Å; K29-I282 HydrophobicContact CG-CG2 4.03Å; K29-N283 WeakPolarHBondContact CE-OD1 3.29Å; K29-L286 HydrophobicContact CB-CD1 4.21Å; K29-L286 HydrophobicContact CG-CD1 3.59Å; K29-V423 WeakPolarHBondContact CE-O 3.27Å; K29-V423 PolarHBondContact NZ-O 3.06Å
30	L	98.6	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-51.4	177.8	176.6	64.2	0	0	0	110.9	Y8 V13 L26 E28 R32 C34 V40 L286	Y8-L30 HydrophobicContact CD1-CD1 3.64Å; Y8-L30 HydrophobicContact CD2-CD1 4.32Å; Y8-L30 HydrophobicContact CE1-CD1 3.92Å; Y8-L30 HydrophobicContact CG-CD1 3.87Å; V13-L30 HydrophobicContact CB-CD2 4.2Å; V13-L30 HydrophobicContact CG1-CD2 4.03Å; V13-L30 HydrophobicContact CG2-CD2 4.07Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 PolarHBondContact O-N 3.17Å; E28-L30 PolarHBondContact O-N 3.38Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 3.2Å; L30-C34 HydrophobicContact CD1-CB 4Å; L30-C34 CarbonylContact O-C 3.56Å; L30-C34 WeakPolarHBondContact O-CA 3.32Å; L30-C34 WeakPolarHBondContact O-CB 3.25Å; L30-C34 PolarHBondContact O-N 3.35Å; L30-V40 HydrophobicContact CD2-CG1 4.42Å; L30-V40 HydrophobicContact CD2-CG2 3.91Å; L30-L286 HydrophobicContact CB-CD2 4.34Å; L30-L286 HydrophobicContact CD1-CD2 4.03Å
31	L	98.3	Very high	97.5	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-67.9	-34.3	-177.7	-71	168.1	0	0	0	112.6	L27 E28 V37 V40 L68 F75 K78 I79	L27-L31 HydrophobicContact CD1-CD1 3.63Å; L27-L31 HydrophobicContact CD1-CG 4.25Å; L27-L31 HydrophobicContact CG-CD1 3.94Å; L27-L31 WeakPolarHBondContact O-CB 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 3.02Å; E28-L31 PolarHBondContact O-N 2.76Å; L31-V37 HydrophobicContact CD2-CG1 3.83Å; L31-V40 HydrophobicContact CD2-CG2 3.91Å; L31-V40 HydrophobicContact CG-CG2 4.45Å; L31-L68 HydrophobicContact CB-CD1 3.93Å; L31-L68 HydrophobicContact CB-CD2 3.69Å; L31-L68 HydrophobicContact CD1-CD2 4.08Å; L31-F75 HydrophobicContact CD1-CD2 3.92Å; L31-K78 HydrophobicContact CD2-CB 4.01Å; L31-K78 HydrophobicContact CD2-CD 4.24Å; L31-I79 HydrophobicContact CD1-CD1 3.76Å; L31-I79 HydrophobicContact CD1-CG1 3.84Å
32	R	97.6	Very high	97.7	Very high	17 Å²	17	17.4 Å²	17.4	6%	0.064	10%	0.097	C	C	.	.	H	α-helix	trans	-75.7	-45.1	-179.8	-174.8	170.2	48.7	82.1	3.9	112.2	E28 L30 L68 E71 E238	E28-R32 VanDerWaalsContact O-CB 3.26Å; E28-R32 WeakPolarHBondContact O-CB 3.47Å; E28-R32 PolarHBondContact O-N 2.81Å; E28-R32 VanDerWaalsContact OE1-CD 3.3Å; E28-R32 WeakPolarHBondContact OE1-CD 3.45Å; E28-R32 IonicContact OE1-CZ 3.64Å; E28-R32 IonicContact OE1-NE 3.97Å; E28-R32 PolarHBondContact OE1-NE 3.44Å; E28-R32 IonicContact OE1-NH2 3.42Å; E28-R32 IonicContact OE2-CZ 4Å; E28-R32 IonicContact OE2-NE 2.68Å; E28-R32 PolarHBondContact OE2-NE 3.4Å; E28-R32 IonicContact OE2-NH2 3.83Å; E28-R32 PolarHBondContact OE2-NH2 2.76Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 3.2Å; R32-L68 HydrophobicContact CB-CD1 3.74Å; R32-L68 HydrophobicContact CG-CD1 4.45Å; R32-E71 WeakPolarHBondContact CD-OE2 3.48Å; R32-E71 WeakPolarHBondContact CG-OE2 3.39Å; R32-E238 IonicContact CZ-OE1 3.05Å; R32-E238 IonicContact CZ-OE2 2.7Å; R32-E238 IonicContact NH1-OE1 3.81Å; R32-E238 PolarHBondContact NH1-OE1 2.97Å; R32-E238 IonicContact NH1-OE2 2.7Å; R32-E238 VanDerWaalsContact NH2-CD 3.26Å; R32-E238 IonicContact NH2-OE1 3.91Å; R32-E238 PolarHBondContact NH2-OE1 3.31Å; R32-E238 IonicContact NH2-OE2 3.6Å; R32-E238 PolarHBondContact NH2-OE2 3.35Å
33	S	97.5	Very high	97.8	Very high	15 Å²	15	16.2 Å²	16.2	11%	0.105	9%	0.091	C	C	.	.	H	α-helix	trans	-95.7	-15.7	-171.4	-53.3	0	0	0	0	113.6	K29 P35	K29-S33 WeakPolarHBondContact CD-OG 3.38Å; K29-S33 WeakPolarHBondContact CE-OG 3.12Å; K29-S33 PolarHBondContact NZ-OG 3.17Å; K29-S33 VanDerWaalsContact O-CB 3.26Å; K29-S33 WeakPolarHBondContact O-CB 3.5Å; K29-S33 PolarHBondContact O-N 2.63Å; K29-S33 PolarHBondContact O-OG 2.84Å; S33-P35 VanDerWaalsContact C-CD 3.45Å
34	C	97.9	Very high	97.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.			trans	-125.5	64.1	175	-53.3	0	0	0	0	110.4	Y8 L30 G36 V37	Y8-C34 HydrophobicContact CD2-CB 4.35Å; Y8-C34 VanDerWaalsContact CD2-SG 3.53Å; Y8-C34 HydrophobicContact CG-CB 4.26Å; L30-C34 HydrophobicContact CD1-CB 4Å; L30-C34 CarbonylContact O-C 3.56Å; L30-C34 WeakPolarHBondContact O-CA 3.32Å; L30-C34 WeakPolarHBondContact O-CB 3.25Å; L30-C34 PolarHBondContact O-N 3.35Å; C34-G36 PolarHBondContact O-N 2.85Å; C34-V37 WeakPolarHBondContact O-CG1 3.4Å; C34-V37 PolarHBondContact O-N 2.99Å
35	P	96.3	Very high	97.4	Very high	51 Å²	51	20.7 Å²	20.7	33%	0.331	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.7	-175.4	26.9	-36.1	0	0	0	113.1	S33 V37 K78	S33-P35 VanDerWaalsContact C-CD 3.45Å; P35-V37 PolarHBondContact O-N 3.3Å; P35-K78 PolarHBondContact O-NZ 2.97Å
36	G	97.7	Very high	96.8	Very high	40 Å²	40	23.5 Å²	23.5	41%	0.412	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-8.4	174.1	0	0	0	0	0	115.2	A9 G10 C34 K38	A9-G36 CarbonylContact C-O 3.56Å; A9-G36 WeakPolarHBondContact CA-O 3.34Å; G10-G36 PolarHBondContact N-O 3.5Å; C34-G36 PolarHBondContact O-N 2.85Å; G36-K38 PolarHBondContact O-N 3.41Å
37	V	98.4	Very high	96	Very high	2 Å²	2	29 Å²	29	1%	0.012	15%	0.151	C	C	.	.			trans	-57.9	135.5	176.8	71.3	0	0	0	0	110.5	Y8 K11 V13 L31 C34 P35 V40 K78	Y8-V37 WeakPolarHBondContact O-CA 3.23Å; K11-V37 VanDerWaalsContact O-CG2 3.31Å; K11-V37 WeakPolarHBondContact O-CG2 3.26Å; V13-V37 HydrophobicContact CG2-CG2 3.88Å; L31-V37 HydrophobicContact CD2-CG1 3.83Å; C34-V37 WeakPolarHBondContact O-CG1 3.4Å; C34-V37 PolarHBondContact O-N 2.99Å; P35-V37 PolarHBondContact O-N 3.3Å; V37-V40 HydrophobicContact CG1-CG2 4.13Å; V37-V40 HydrophobicContact CG2-CG2 4.04Å; V37-K78 HydrophobicContact CG1-CD 4.46Å
38	K	98.4	Very high	95.1	Very high	121 Å²	121	33.8 Å²	33.8	53%	0.526	19%	0.191	S	C	.	.			trans	-77.6	-59	-173.4	-180	178.6	174.8	-178.6	0	111.3	K11 G36	K11-K38 PolarHBondContact O-N 3.41Å; G36-K38 PolarHBondContact O-N 3.41Å
39	T	98.6	Very high	94.1	Very high	24 Å²	24	38 Å²	38	15%	0.147	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	136.7	-179	-53.3	0	0	0	0	110	N12 V13 Y41 K78 T80	N12-T39 CarbonylContact C-O 3.58Å; N12-T39 VanDerWaalsContact CA-O 3.27Å; N12-T39 WeakPolarHBondContact CA-O 3.13Å; N12-T39 WeakPolarHBondContact OD1-CB 3.49Å; V13-T39 PolarHBondContact N-O 3.43Å; T39-Y41 HydrophobicContact CG2-CD2 3.98Å; T39-Y41 HydrophobicContact CG2-CE1 4.35Å; T39-Y41 HydrophobicContact CG2-CE2 3.56Å; T39-K78 CarbonylContact C-O 3.15Å; T39-K78 WeakPolarHBondContact CA-O 3.42Å; T39-T80 WeakPolarHBondContact CG2-OG1 3.44Å
40	V	98.7	Very high	93.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	106.3	173.9	-170.8	0	0	0	0	108.6	V13 I15 L27 L30 L31 V37 V42 K78 I79 T80	V13-V40 HydrophobicContact CB-CG1 4.4Å; V13-V40 CarbonylContact O-C 3.39Å; V13-V40 WeakPolarHBondContact O-CA 3.38Å; I15-V40 HydrophobicContact CD1-CG1 3.66Å; I15-V40 HydrophobicContact CG1-CG1 4.02Å; L27-V40 HydrophobicContact CD1-CB 4.12Å; L27-V40 HydrophobicContact CD1-CG1 3.58Å; L30-V40 HydrophobicContact CD2-CG1 4.42Å; L30-V40 HydrophobicContact CD2-CG2 3.91Å; L31-V40 HydrophobicContact CD2-CG2 3.91Å; L31-V40 HydrophobicContact CG-CG2 4.45Å; V37-V40 HydrophobicContact CG1-CG2 4.13Å; V37-V40 HydrophobicContact CG2-CG2 4.04Å; V40-V42 HydrophobicContact CG1-CG1 4.27Å; V40-K78 PolarHBondContact N-O 3.24Å; V40-I79 WeakPolarHBondContact O-CA 3.48Å; V40-T80 PolarHBondContact O-N 3.33Å
41	Y	98.6	Very high	93.2	Very high	22 Å²	22	44.1 Å²	44.1	9%	0.086	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.5	174.3	-63.4	-95.7	0	0	0	109.1	N12 V13 L14 I15 T39 T80 V82 I100 L101 I105	N12-Y41 HydrophobicContact CB-CD2 4.47Å; N12-Y41 HydrophobicContact CB-CE2 4Å; V13-Y41 PolarHBondContact O-N 3.45Å; L14-Y41 CarbonylContact C-O 3.38Å; L14-Y41 WeakPolarHBondContact CA-O 3.47Å; I15-Y41 PolarHBondContact N-O 2.78Å; T39-Y41 HydrophobicContact CG2-CD2 3.98Å; T39-Y41 HydrophobicContact CG2-CE1 4.35Å; T39-Y41 HydrophobicContact CG2-CE2 3.56Å; Y41-T80 CarbonylContact C-O 3.53Å; Y41-T80 VanDerWaalsContact CA-O 3.3Å; Y41-T80 WeakPolarHBondContact CA-O 3.37Å; Y41-T80 HydrophobicContact CD1-CG2 3.78Å; Y41-T80 HydrophobicContact CE1-CG2 3.86Å; Y41-V82 HydrophobicContact CD1-CG2 3.97Å; Y41-I100 HydrophobicContact CE1-CG2 3.69Å; Y41-L101 HydrophobicContact CD1-CD2 3.95Å; Y41-L101 HydrophobicContact CG-CD2 3.95Å; Y41-I105 HydrophobicContact CD2-CD1 3.33Å; Y41-I105 HydrophobicContact CE2-CD1 3.83Å; Y41-I105 HydrophobicContact CG-CD1 3.95Å
42	V	97.9	Very high	92.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.2	-179.5	-64.5	0	0	0	0	110.2	A18 L27 V40 V44 V56 I79 T80 A81 V82	A18-V42 HydrophobicContact CB-CB 3.74Å; A18-V42 HydrophobicContact CB-CG1 3.66Å; L27-V42 HydrophobicContact CD1-CG1 4.28Å; L27-V42 HydrophobicContact CD2-CG1 4.3Å; V40-V42 HydrophobicContact CG1-CG1 4.27Å; V42-V44 HydrophobicContact CB-CG2 4.26Å; V42-V44 HydrophobicContact CG2-CG2 4.03Å; V42-V44 PolarHBondContact O-N 3.36Å; V42-V56 HydrophobicContact CG2-CG2 3.55Å; V42-I79 HydrophobicContact CG1-CG2 4.25Å; V42-I79 HydrophobicContact CG2-CG2 3.81Å; V42-T80 PolarHBondContact N-O 3.28Å; V42-A81 HydrophobicContact CG2-CB 4.36Å; V42-V82 PolarHBondContact O-N 3.18Å
43	M	96.1	Very high	92.7	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.044	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.7	178.2	-61.8	177.9	77.3	0	0	109.3	L14 I15 S84 L86 L91 L93 M135	L14-M43 HydrophobicContact CD1-CG 3.63Å; L14-M43 HydrophobicContact CD1-SD 3.94Å; L14-M43 HydrophobicContact CD2-SD 3.98Å; L14-M43 HydrophobicContact CG-CG 4.37Å; L14-M43 HydrophobicContact CG-SD 4.09Å; I15-M43 PolarHBondContact O-N 3.49Å; M43-S84 WeakPolarHBondContact CE-OG 3.25Å; M43-L86 HydrophobicContact CE-CD2 3.8Å; M43-L91 HydrophobicContact CE-CB 4.32Å; M43-L91 HydrophobicContact CE-CD1 4.21Å; M43-L93 HydrophobicContact CE-CD1 4.41Å; M43-M135 HydrophobicContact CE-SD 3.85Å; M43-M135 HydrophobicContact SD-CE 3.9Å; M43-M135 HydrophobicContact SD-SD 3.81Å
44	V	93.9	Very high	92.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	118.9	-173.5	-177.2	0	0	0	0	109.7	T19 V42 P52 R55 V56 V82 S84	T19-V44 HydrophobicContact CG2-CG1 3.99Å; T19-V44 HydrophobicContact CG2-CG2 3.91Å; V42-V44 HydrophobicContact CB-CG2 4.26Å; V42-V44 HydrophobicContact CG2-CG2 4.03Å; V42-V44 PolarHBondContact O-N 3.36Å; V44-P52 HydrophobicContact CB-CB 4.15Å; V44-P52 HydrophobicContact CG1-CB 4.44Å; V44-R55 HydrophobicContact CG1-CB 3.88Å; V44-V56 HydrophobicContact CG2-CG2 3.9Å; V44-V82 PolarHBondContact N-O 3.24Å; V44-S84 CarbonylContact C-O 3.59Å; V44-S84 PolarHBondContact O-N 3.07Å
45	R	89.9	Confident	92.2	Very high	122 Å²	122	51.8 Å²	51.8	46%	0.46	31%	0.308	S	S	.	.			trans	-65.8	140.5	171.5	66.4	178.9	176.8	-177.4	-6.3	111.6	R55 S84	R45-R55 WeakPolarHBondContact O-CD 3.12Å; R45-R55 PolarHBondContact O-NH1 2.85Å; R45-S84 WeakPolarHBondContact CA-O 3.23Å; R45-S84 WeakPolarHBondContact CB-O 3.26Å; R45-S84 PolarHBondContact N-O 2.86Å; R45-S84 VanDerWaalsContact N-O 3.13Å
46	S	85.8	Confident	92.1	Very high	63 Å²	63	49.9 Å²	49.9	44%	0.441	30%	0.295	S	S	.	.			trans	-60.9	138.4	161.7	-63.2	0	0	0	0	109.8	P52 N83	S46-P52 WeakPolarHBondContact OG-CD 3.04Å; S46-N83 PolarHBondContact OG-OD1 3.41Å
47	K	82.1	Confident	92	Very high	115 Å²	115	49.9 Å²	49.9	50%	0.5	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-153.2	135.5	-179.6	-170.4	178.5	178.6	-174.6	0	111.4	G49 Q50	K47-G49 PolarHBondContact O-N 3.33Å; K47-Q50 PolarHBondContact N-O 2.81Å; K47-Q50 WeakPolarHBondContact O-CB 3.48Å; K47-Q50 PolarHBondContact O-N 3Å
48	A	77.5	Confident	91.7	Very high	101 Å²	101	53.9 Å²	53.9	84%	0.835	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.1	174.1	0	0	0	0	0	113.6	Q50	A48-Q50 VanDerWaalsContact C-N 3.25Å; A48-Q50 PolarHBondContact O-N 3.45Å
49	G	78.5	Confident	91.4	Very high	88 Å²	88	48.4 Å²	48.4	91%	0.907	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-1.4	-179.3	0	0	0	0	0	115.4	K47	K47-G49 PolarHBondContact O-N 3.33Å
50	Q	85.6	Confident	91.3	Very high	79 Å²	79	48.8 Å²	48.8	37%	0.369	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-88	132.6	173.8	-64	-174.1	-31.6	0	0	111.3	K47 A48 A54 R55 D58	K47-Q50 PolarHBondContact N-O 2.81Å; K47-Q50 WeakPolarHBondContact O-CB 3.48Å; K47-Q50 PolarHBondContact O-N 3Å; A48-Q50 VanDerWaalsContact C-N 3.25Å; A48-Q50 PolarHBondContact O-N 3.45Å; Q50-A54 HydrophobicContact CB-CB 4.45Å; Q50-R55 HydrophobicContact CB-CG 3.76Å; Q50-D58 PolarHBondContact NE2-OD2 2.93Å
51	S	91.4	Very high	90.9	Very high	53 Å²	53	55.2 Å²	55.2	37%	0.371	33%	0.325	S	S	.	.			trans	-68.9	159.1	170.9	67.8	0	0	0	0	111.5	Q53 A54 R55	S51-Q53 PolarHBondContact O-N 2.96Å; S51-A54 PolarHBondContact O-N 2.92Å; S51-A54 WeakPolarHBondContact OG-CB 3.43Å; S51-A54 PolarHBondContact OG-N 2.88Å; S51-R55 WeakPolarHBondContact O-CG 3.5Å; S51-R55 PolarHBondContact O-N 3.14Å
52	P	91.9	Very high	90.5	Very high	8 Å²	8	56.3 Å²	56.3	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-52.7	-41	173.8	-27.8	37.1	0	0	0	112.6	V44 S46 R55 V56 A81 N83	V44-P52 HydrophobicContact CB-CB 4.15Å; V44-P52 HydrophobicContact CG1-CB 4.44Å; S46-P52 WeakPolarHBondContact OG-CD 3.04Å; P52-R55 PolarHBondContact O-N 3.32Å; P52-V56 WeakPolarHBondContact O-CG2 3.21Å; P52-V56 PolarHBondContact O-N 3.26Å; P52-A81 HydrophobicContact CB-CB 4.08Å; P52-N83 HydrophobicContact CG-CB 3.79Å
53	Q	93.1	Very high	90.2	Very high	110 Å²	110	60 Å²	60	51%	0.514	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-45.4	179.5	-65.1	73.7	16.3	0	0	111.6	S51 R55 V56 A57 A81	S51-Q53 PolarHBondContact O-N 2.96Å; Q53-R55 VanDerWaalsContact C-N 3.31Å; Q53-R55 PolarHBondContact O-N 3.46Å; Q53-V56 PolarHBondContact O-N 3.42Å; Q53-A57 PolarHBondContact O-N 3.44Å; Q53-A81 HydrophobicContact CG-CB 4.14Å
54	A	92.4	Very high	90.1	Very high	35 Å²	35	59.6 Å²	59.6	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-41.5	176.4	0	0	0	0	0	111.4	Q50 S51 V56 A57 D58	Q50-A54 HydrophobicContact CB-CB 4.45Å; S51-A54 PolarHBondContact O-N 2.92Å; S51-A54 WeakPolarHBondContact OG-CB 3.43Å; S51-A54 PolarHBondContact OG-N 2.88Å; A54-V56 VanDerWaalsContact C-N 3.32Å; A54-V56 PolarHBondContact O-N 2.99Å; A54-A57 PolarHBondContact O-N 2.91Å; A54-D58 PolarHBondContact O-N 2.97Å
55	R	93.4	Very high	90.2	Very high	43 Å²	43	59.7 Å²	59.7	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-34.7	176.9	-68.2	-168.5	68.7	-138.2	-16	113	T19 V44 R45 Q50 S51 P52 Q53 M59	T19-R55 PolarHBondContact OG1-NH2 2.74Å; V44-R55 HydrophobicContact CG1-CB 3.88Å; R45-R55 WeakPolarHBondContact O-CD 3.12Å; R45-R55 PolarHBondContact O-NH1 2.85Å; Q50-R55 HydrophobicContact CB-CG 3.76Å; S51-R55 WeakPolarHBondContact O-CG 3.5Å; S51-R55 PolarHBondContact O-N 3.14Å; P52-R55 PolarHBondContact O-N 3.32Å; Q53-R55 VanDerWaalsContact C-N 3.31Å; Q53-R55 PolarHBondContact O-N 3.46Å; R55-M59 WeakPolarHBondContact O-CB 3.42Å; R55-M59 PolarHBondContact O-N 2.86Å; R55-M59 VanDerWaalsContact O-N 3.13Å
56	V	95.1	Very high	90.4	Very high	11 Å²	11	58.9 Å²	58.9	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-70.2	-43.3	173.8	170.4	0	0	0	0	110.8	V42 V44 P52 Q53 A54 D58 M59 I60 I79 A81	V42-V56 HydrophobicContact CG2-CG2 3.55Å; V44-V56 HydrophobicContact CG2-CG2 3.9Å; P52-V56 WeakPolarHBondContact O-CG2 3.21Å; P52-V56 PolarHBondContact O-N 3.26Å; Q53-V56 PolarHBondContact O-N 3.42Å; A54-V56 VanDerWaalsContact C-N 3.32Å; A54-V56 PolarHBondContact O-N 2.99Å; V56-D58 PolarHBondContact O-N 3.37Å; V56-M59 HydrophobicContact CG1-CE 4.28Å; V56-M59 HydrophobicContact CG2-CE 4.45Å; V56-M59 WeakPolarHBondContact O-CB 3.26Å; V56-M59 PolarHBondContact O-N 3.47Å; V56-M59 VanDerWaalsContact O-N 3.13Å; V56-I60 HydrophobicContact CG1-CG2 4.42Å; V56-I60 WeakPolarHBondContact O-CG1 3.39Å; V56-I60 PolarHBondContact O-N 2.72Å; V56-I79 HydrophobicContact CG1-CG2 3.71Å; V56-A81 HydrophobicContact CB-CB 4.37Å; V56-A81 HydrophobicContact CG2-CB 3.73Å
57	A	93.8	Very high	90.8	Very high	41 Å²	41	59.3 Å²	59.3	34%	0.339	35%	0.345	S	S	.	.	H	α-helix	trans	-58.2	-47.1	175.5	0	0	0	0	0	111.9	Q53 A54 M59 I60 N61	Q53-A57 PolarHBondContact O-N 3.44Å; A54-A57 PolarHBondContact O-N 2.91Å; A57-M59 VanDerWaalsContact C-N 3.28Å; A57-M59 PolarHBondContact O-N 3.43Å; A57-I60 VanDerWaalsContact O-CG1 3.28Å; A57-I60 WeakPolarHBondContact O-CG1 3.22Å; A57-I60 PolarHBondContact O-N 2.72Å; A57-N61 PolarHBondContact O-N 3.09Å; A57-N61 PolarHBondContact O-ND2 3.25Å; A57-N61 VanDerWaalsContact O-ND2 3.11Å
58	D	92.2	Very high	91.5	Very high	85 Å²	85	53.9 Å²	53.9	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-39.2	175.2	-73.1	-13	0	0	0	111.9	Q50 A54 V56	Q50-D58 PolarHBondContact NE2-OD2 2.93Å; A54-D58 PolarHBondContact O-N 2.97Å; V56-D58 PolarHBondContact O-N 3.37Å
59	M	94	Very high	92.4	Very high	7 Å²	7	53.3 Å²	53.3	3%	0.034	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-45.7	179.6	176.6	-177	70.2	0	0	112.1	T19 K24 L27 R55 V56 A57 N61 C62 F65	T19-M59 HydrophobicContact CG2-SD 3.89Å; K24-M59 HydrophobicContact CD-CG 4.14Å; K24-M59 HydrophobicContact CG-CG 3.9Å; K24-M59 HydrophobicContact CG-SD 3.8Å; L27-M59 HydrophobicContact CD2-CE 3.42Å; L27-M59 VanDerWaalsContact CD2-CE 3.42Å; R55-M59 WeakPolarHBondContact O-CB 3.42Å; R55-M59 PolarHBondContact O-N 2.86Å; R55-M59 VanDerWaalsContact O-N 3.13Å; V56-M59 HydrophobicContact CG1-CE 4.28Å; V56-M59 HydrophobicContact CG2-CE 4.45Å; V56-M59 WeakPolarHBondContact O-CB 3.26Å; V56-M59 PolarHBondContact O-N 3.47Å; V56-M59 VanDerWaalsContact O-N 3.13Å; A57-M59 VanDerWaalsContact C-N 3.28Å; A57-M59 PolarHBondContact O-N 3.43Å; M59-N61 PolarHBondContact O-N 3.3Å; M59-C62 WeakPolarHBondContact O-CB 3.32Å; M59-C62 PolarHBondContact O-N 2.85Å; M59-C62 VanDerWaalsContact O-N 3.14Å; M59-C62 PolarHBondContact O-SG 3.42Å; M59-F65 HydrophobicContact CG-CE2 3.98Å; M59-F65 HydrophobicContact CG-CZ 4.24Å; M59-F65 VanDerWaalsContact O-CD2 3.24Å; M59-F65 WeakPolarHBondContact O-CD2 3.31Å; M59-F65 WeakPolarHBondContact O-CE2 2.83Å
60	I	94.7	Very high	93.2	Very high	32 Å²	32	53.1 Å²	53.1	16%	0.164	29%	0.291	C	S	.	.	H	α-helix	trans	-73.7	-16.6	-177.3	65.5	174.6	0	0	0	113	V56 A57 C62 F65 F75 A76 I79	V56-I60 HydrophobicContact CG1-CG2 4.42Å; V56-I60 WeakPolarHBondContact O-CG1 3.39Å; V56-I60 PolarHBondContact O-N 2.72Å; A57-I60 VanDerWaalsContact O-CG1 3.28Å; A57-I60 WeakPolarHBondContact O-CG1 3.22Å; A57-I60 PolarHBondContact O-N 2.72Å; I60-C62 PolarHBondContact O-N 2.7Å; I60-F65 HydrophobicContact CG2-CE1 4.42Å; I60-F65 HydrophobicContact CG2-CZ 4.49Å; I60-F65 VanDerWaalsContact O-CB 3.26Å; I60-F65 WeakPolarHBondContact O-CB 3.44Å; I60-F75 HydrophobicContact CB-CE2 4.02Å; I60-F75 HydrophobicContact CB-CZ 4.02Å; I60-F75 HydrophobicContact CD1-CE2 4.48Å; I60-F75 HydrophobicContact CG2-CE2 3.94Å; I60-F75 HydrophobicContact CG2-CZ 4.45Å; I60-A76 HydrophobicContact CD1-CB 3.93Å; I60-I79 HydrophobicContact CG2-CD1 3.85Å
61	N	92	Very high	93.7	Very high	135 Å²	135	53.7 Å²	53.7	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6	170.9	-72.1	-31.5	0	0	0	113.4	A57 M59	A57-N61 PolarHBondContact O-N 3.09Å; A57-N61 PolarHBondContact O-ND2 3.25Å; A57-N61 VanDerWaalsContact O-ND2 3.11Å; M59-N61 PolarHBondContact O-N 3.3Å
62	C	90.1	Very high	93.9	Very high	45 Å²	45	53.9 Å²	53.9	30%	0.304	29%	0.289	S	S	.	.	S	Bend	trans	-67.3	147.7	176.7	-69.1	0	0	0	0	111.1	M59 I60 L64 F65	M59-C62 WeakPolarHBondContact O-CB 3.32Å; M59-C62 PolarHBondContact O-N 2.85Å; M59-C62 VanDerWaalsContact O-N 3.14Å; M59-C62 PolarHBondContact O-SG 3.42Å; I60-C62 PolarHBondContact O-N 2.7Å; C62-L64 PolarHBondContact O-N 2.68Å; C62-F65 HydrophobicContact CB-CD2 4.3Å; C62-F65 PolarHBondContact O-N 2.86Å
63	K	90.8	Very high	94	Very high	77 Å²	77	57.1 Å²	57.1	34%	0.335	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-49.3	-28.1	177.6	-177.8	166.4	-168	72.7	0	115	F65 E66 F240 Y447	K63-F65 PolarHBondContact O-N 3.28Å; K63-E66 HydrophobicContact CG-CG 4.46Å; K63-E66 WeakPolarHBondContact CG-OE1 3.1Å; K63-E66 IonicContact NZ-OE1 3.28Å; K63-E66 PolarHBondContact NZ-OE1 3.4Å; K63-E66 VanDerWaalsContact NZ-OE1 3.14Å; K63-E66 IonicContact NZ-OE2 2.73Å; K63-E66 PolarHBondContact NZ-OE2 3.2Å; K63-E66 WeakPolarHBondContact O-CB 3.21Å; K63-E66 PolarHBondContact O-N 2.86Å; K63-F240 HydrophobicContact CD-CZ 4.23Å; K63-F240 HydrophobicContact CG-CE1 4.16Å; K63-F240 HydrophobicContact CG-CZ 3.81Å; K63-Y447 HydrophobicContact CD-CD1 4.19Å; K63-Y447 HydrophobicContact CD-CE1 3.7Å
64	L	94.5	Very high	94.1	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-50.2	-41.1	173.6	-177.7	75.6	0	0	0	112.4	K24 V25 E28 C62 P239 W243	K24-L64 HydrophobicContact CB-CD2 3.5Å; K24-L64 VanDerWaalsContact CB-CD2 3.5Å; V25-L64 HydrophobicContact CG2-CD1 4.13Å; V25-L64 HydrophobicContact CG2-CD2 4.47Å; E28-L64 HydrophobicContact CB-CD2 4.21Å; E28-L64 HydrophobicContact CB-CG 4.29Å; E28-L64 HydrophobicContact CG-CG 4.23Å; C62-L64 PolarHBondContact O-N 2.68Å; L64-P239 VanDerWaalsContact CD1-CD 3.43Å; L64-P239 HydrophobicContact CD1-CG 3.3Å; L64-P239 HydrophobicContact CG-CG 4.12Å; L64-P239 WeakPolarHBondContact O-CG 3.34Å; L64-W243 HydrophobicContact CB-CD2 4.49Å; L64-W243 HydrophobicContact CB-CH2 4.33Å; L64-W243 HydrophobicContact CB-CZ2 3.62Å; L64-W243 HydrophobicContact CD1-CD2 3.45Å; L64-W243 VanDerWaalsContact CD1-CD2 3.45Å; L64-W243 HydrophobicContact CD1-CE3 3.49Å; L64-W243 VanDerWaalsContact CD1-CE3 3.49Å; L64-W243 HydrophobicContact CD1-CG 4.19Å; L64-W243 HydrophobicContact CD1-CH2 3.69Å; L64-W243 HydrophobicContact CD1-CZ2 3.65Å; L64-W243 HydrophobicContact CD1-CZ3 3.62Å; L64-W243 HydrophobicContact CD2-CH2 3.76Å; L64-W243 HydrophobicContact CD2-CZ2 3.91Å; L64-W243 HydrophobicContact CD2-CZ3 4.31Å; L64-W243 HydrophobicContact CG-CH2 4.15Å; L64-W243 HydrophobicContact CG-CZ2 3.93Å
65	F	96.2	Very high	94.3	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.013	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-90.4	-1.6	-172.5	-64.5	-88.2	0	0	0	113.4	K24 L27 E28 M59 I60 C62 K63 K67 L68 Q69 F75	K24-F65 HydrophobicContact CB-CZ 4.45Å; L27-F65 HydrophobicContact CD2-CE1 4.27Å; L27-F65 HydrophobicContact CD2-CZ 4.26Å; L27-F65 HydrophobicContact CG-CE1 4.31Å; E28-F65 HydrophobicContact CB-CD1 4.06Å; E28-F65 HydrophobicContact CB-CE1 3.86Å; E28-F65 HydrophobicContact CG-CD1 4.08Å; E28-F65 HydrophobicContact CG-CE1 4.4Å; M59-F65 HydrophobicContact CG-CE2 3.98Å; M59-F65 HydrophobicContact CG-CZ 4.24Å; M59-F65 VanDerWaalsContact O-CD2 3.24Å; M59-F65 WeakPolarHBondContact O-CD2 3.31Å; M59-F65 WeakPolarHBondContact O-CE2 2.83Å; I60-F65 HydrophobicContact CG2-CE1 4.42Å; I60-F65 HydrophobicContact CG2-CZ 4.49Å; I60-F65 VanDerWaalsContact O-CB 3.26Å; I60-F65 WeakPolarHBondContact O-CB 3.44Å; C62-F65 HydrophobicContact CB-CD2 4.3Å; C62-F65 PolarHBondContact O-N 2.86Å; K63-F65 PolarHBondContact O-N 3.28Å; F65-K67 VanDerWaalsContact C-N 3.27Å; F65-K67 PolarHBondContact O-N 2.89Å; F65-L68 HydrophobicContact CD1-CD2 3.94Å; F65-L68 PolarHBondContact O-N 3.11Å; F65-L68 VanDerWaalsContact O-N 3.13Å; F65-Q69 WeakPolarHBondContact O-CB 3.45Å; F65-Q69 PolarHBondContact O-N 2.67Å; F65-F75 HydrophobicContact CB-CZ 4.37Å; F65-F75 HydrophobicContact CD1-CE2 4.28Å; F65-F75 HydrophobicContact CD1-CZ 4.39Å
66	E	93.9	Very high	94.4	Very high	106 Å²	106	55.5 Å²	55.5	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-54.9	-43	180	-78.9	174.7	-168.3	0	0	111.9	K63 Q69 A70	K63-E66 HydrophobicContact CG-CG 4.46Å; K63-E66 WeakPolarHBondContact CG-OE1 3.1Å; K63-E66 IonicContact NZ-OE1 3.28Å; K63-E66 PolarHBondContact NZ-OE1 3.4Å; K63-E66 VanDerWaalsContact NZ-OE1 3.14Å; K63-E66 IonicContact NZ-OE2 2.73Å; K63-E66 PolarHBondContact NZ-OE2 3.2Å; K63-E66 WeakPolarHBondContact O-CB 3.21Å; K63-E66 PolarHBondContact O-N 2.86Å; E66-Q69 PolarHBondContact O-N 3.33Å; E66-A70 PolarHBondContact O-N 3.45Å; E66-A70 VanDerWaalsContact O-N 3.14Å
67	K	94.4	Very high	94.5	Very high	72 Å²	72	62.7 Å²	62.7	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-44.2	178.3	-173.9	177.6	177.5	-178.4	0	111.6	F65 Q69 A70 E71 E238	F65-K67 VanDerWaalsContact C-N 3.27Å; F65-K67 PolarHBondContact O-N 2.89Å; K67-Q69 PolarHBondContact O-N 3.01Å; K67-A70 PolarHBondContact O-N 2.98Å; K67-E71 WeakPolarHBondContact CE-OE1 3.39Å; K67-E71 WeakPolarHBondContact CG-OE1 3.26Å; K67-E71 IonicContact NZ-OE1 2.85Å; K67-E71 WeakPolarHBondContact O-CG 3.3Å; K67-E71 PolarHBondContact O-N 3.02Å; K67-E238 IonicContact NZ-OE1 2.87Å
68	L	96.4	Very high	94.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-44.8	175.2	173.2	62.6	0	0	0	111.4	E28 L31 R32 F65 A70 E71 Q72 F75	E28-L68 HydrophobicContact CG-CB 4.24Å; L31-L68 HydrophobicContact CB-CD1 3.93Å; L31-L68 HydrophobicContact CB-CD2 3.69Å; L31-L68 HydrophobicContact CD1-CD2 4.08Å; R32-L68 HydrophobicContact CB-CD1 3.74Å; R32-L68 HydrophobicContact CG-CD1 4.45Å; F65-L68 HydrophobicContact CD1-CD2 3.94Å; F65-L68 PolarHBondContact O-N 3.11Å; F65-L68 VanDerWaalsContact O-N 3.13Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 PolarHBondContact O-N 2.93Å; L68-E71 PolarHBondContact O-N 3.24Å; L68-Q72 HydrophobicContact CD1-CB 3.78Å; L68-Q72 HydrophobicContact CD1-CG 3.96Å; L68-Q72 CarbonylContact O-C 3.57Å; L68-Q72 WeakPolarHBondContact O-CA 3.25Å; L68-Q72 PolarHBondContact O-N 3.04Å; L68-F75 HydrophobicContact CD1-CB 4.04Å; L68-F75 HydrophobicContact CD1-CD1 4.43Å; L68-F75 HydrophobicContact CD1-CG 4.22Å; L68-F75 HydrophobicContact CD2-CB 4.02Å; L68-F75 HydrophobicContact CD2-CD1 3.89Å; L68-F75 HydrophobicContact CD2-CD2 3.42Å; L68-F75 VanDerWaalsContact CD2-CD2 3.42Å; L68-F75 HydrophobicContact CD2-CE1 4.15Å; L68-F75 HydrophobicContact CD2-CE2 3.74Å; L68-F75 HydrophobicContact CD2-CG 3.49Å; L68-F75 VanDerWaalsContact CD2-CG 3.49Å; L68-F75 HydrophobicContact CD2-CZ 4.08Å; L68-F75 HydrophobicContact CG-CB 4.03Å; L68-F75 HydrophobicContact CG-CD1 3.63Å; L68-F75 HydrophobicContact CG-CD2 4.11Å; L68-F75 HydrophobicContact CG-CE1 4.03Å; L68-F75 HydrophobicContact CG-CE2 4.48Å; L68-F75 HydrophobicContact CG-CG 3.65Å; L68-F75 HydrophobicContact CG-CZ 4.44Å
69	Q	96.3	Very high	95	Very high	90 Å²	90	60.1 Å²	60.1	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-36	178.4	-176.3	63.2	66.9	0	0	112.3	F65 E66 K67 P73 F75	F65-Q69 WeakPolarHBondContact O-CB 3.45Å; F65-Q69 PolarHBondContact O-N 2.67Å; E66-Q69 PolarHBondContact O-N 3.33Å; K67-Q69 PolarHBondContact O-N 3.01Å; Q69-P73 PolarHBondContact NE2-O 3Å; Q69-P73 WeakPolarHBondContact O-CA 3.42Å; Q69-F75 HydrophobicContact CB-CE1 3.97Å; Q69-F75 VanDerWaalsContact OE1-CE1 3.22Å
70	A	95.4	Very high	95.2	Very high	83 Å²	83	62.5 Å²	62.5	69%	0.686	33%	0.334	S	S	*	.	H	α-helix	trans	-73.6	-38.3	177.1	0	0	0	0	0	112.7	E66 K67 L68	E66-A70 PolarHBondContact O-N 3.45Å; E66-A70 VanDerWaalsContact O-N 3.14Å; K67-A70 PolarHBondContact O-N 2.98Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 PolarHBondContact O-N 2.93Å
71	E	95.2	Very high	95.3	Very high	91 Å²	91	61.7 Å²	61.7	43%	0.425	33%	0.332	S	S	.	.	H	α-helix	trans	-84.5	-30.5	-177.6	-69.8	178.3	-163.9	0	0	113.3	R32 K67 L68	R32-E71 WeakPolarHBondContact CD-OE2 3.48Å; R32-E71 WeakPolarHBondContact CG-OE2 3.39Å; K67-E71 WeakPolarHBondContact CE-OE1 3.39Å; K67-E71 WeakPolarHBondContact CG-OE1 3.26Å; K67-E71 IonicContact NZ-OE1 2.85Å; K67-E71 WeakPolarHBondContact O-CG 3.3Å; K67-E71 PolarHBondContact O-N 3.02Å; L68-E71 PolarHBondContact O-N 3.24Å
72	Q	95.6	Very high	95.4	Very high	58 Å²	58	55.4 Å²	55.4	27%	0.271	30%	0.298	S	S	.	.			trans	-140	75.9	-175	-58.9	-63.4	-48	0	0	110.4	L68 D74 F75	L68-Q72 HydrophobicContact CD1-CB 3.78Å; L68-Q72 HydrophobicContact CD1-CG 3.96Å; L68-Q72 CarbonylContact O-C 3.57Å; L68-Q72 WeakPolarHBondContact O-CA 3.25Å; L68-Q72 PolarHBondContact O-N 3.04Å; Q72-D74 PolarHBondContact O-N 3.07Å; Q72-F75 HydrophobicContact CB-CB 4.18Å; Q72-F75 WeakPolarHBondContact O-CB 3.38Å; Q72-F75 VanDerWaalsContact O-CD1 3.25Å; Q72-F75 WeakPolarHBondContact O-CD1 3.45Å; Q72-F75 PolarHBondContact O-N 2.76Å
73	P	94.8	Very high	95.6	Very high	75 Å²	75	55.2 Å²	55.2	49%	0.487	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.5	-171	-28.4	36.3	0	0	0	115.5	Q69 F75	Q69-P73 PolarHBondContact NE2-O 3Å; Q69-P73 WeakPolarHBondContact O-CA 3.42Å; P73-F75 VanDerWaalsContact C-N 3.35Å
74	D	94.9	Very high	95.8	Very high	109 Å²	109	51.8 Å²	51.8	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	13.7	-176.3	-47.8	-45.9	0	0	0	113	Q72 A76 E77	Q72-D74 PolarHBondContact O-N 3.07Å; D74-A76 PolarHBondContact O-N 3.08Å; D74-A76 VanDerWaalsContact O-N 3.08Å; D74-E77 WeakPolarHBondContact O-CB 3.47Å; D74-E77 PolarHBondContact O-N 2.86Å; D74-E77 VanDerWaalsContact O-N 3.14Å
75	F	96.6	Very high	95.6	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.013	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57	-30.5	-176.3	79.1	-95.1	0	0	0	113.2	L31 I60 F65 L68 Q69 Q72 P73 E77 K78 I79	L31-F75 HydrophobicContact CD1-CD2 3.92Å; I60-F75 HydrophobicContact CB-CE2 4.02Å; I60-F75 HydrophobicContact CB-CZ 4.02Å; I60-F75 HydrophobicContact CD1-CE2 4.48Å; I60-F75 HydrophobicContact CG2-CE2 3.94Å; I60-F75 HydrophobicContact CG2-CZ 4.45Å; F65-F75 HydrophobicContact CB-CZ 4.37Å; F65-F75 HydrophobicContact CD1-CE2 4.28Å; F65-F75 HydrophobicContact CD1-CZ 4.39Å; L68-F75 HydrophobicContact CD1-CB 4.04Å; L68-F75 HydrophobicContact CD1-CD1 4.43Å; L68-F75 HydrophobicContact CD1-CG 4.22Å; L68-F75 HydrophobicContact CD2-CB 4.02Å; L68-F75 HydrophobicContact CD2-CD1 3.89Å; L68-F75 HydrophobicContact CD2-CD2 3.42Å; L68-F75 VanDerWaalsContact CD2-CD2 3.42Å; L68-F75 HydrophobicContact CD2-CE1 4.15Å; L68-F75 HydrophobicContact CD2-CE2 3.74Å; L68-F75 HydrophobicContact CD2-CG 3.49Å; L68-F75 VanDerWaalsContact CD2-CG 3.49Å; L68-F75 HydrophobicContact CD2-CZ 4.08Å; L68-F75 HydrophobicContact CG-CB 4.03Å; L68-F75 HydrophobicContact CG-CD1 3.63Å; L68-F75 HydrophobicContact CG-CD2 4.11Å; L68-F75 HydrophobicContact CG-CE1 4.03Å; L68-F75 HydrophobicContact CG-CE2 4.48Å; L68-F75 HydrophobicContact CG-CG 3.65Å; L68-F75 HydrophobicContact CG-CZ 4.44Å; Q69-F75 HydrophobicContact CB-CE1 3.97Å; Q69-F75 VanDerWaalsContact OE1-CE1 3.22Å; Q72-F75 HydrophobicContact CB-CB 4.18Å; Q72-F75 WeakPolarHBondContact O-CB 3.38Å; Q72-F75 VanDerWaalsContact O-CD1 3.25Å; Q72-F75 WeakPolarHBondContact O-CD1 3.45Å; Q72-F75 PolarHBondContact O-N 2.76Å; P73-F75 VanDerWaalsContact C-N 3.35Å; F75-E77 PolarHBondContact O-N 3.31Å; F75-K78 WeakPolarHBondContact O-CB 3.2Å; F75-K78 PolarHBondContact O-N 3.11Å; F75-K78 VanDerWaalsContact O-N 3.12Å; F75-I79 HydrophobicContact CD2-CD1 3.92Å; F75-I79 HydrophobicContact CE2-CD1 3.94Å
76	A	96.3	Very high	95.4	Very high	42 Å²	42	54.4 Å²	54.4	35%	0.347	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-63.1	-31.6	-177.2	0	0	0	0	0	112	I60 D74 K78 I79	I60-A76 HydrophobicContact CD1-CB 3.93Å; D74-A76 PolarHBondContact O-N 3.08Å; D74-A76 VanDerWaalsContact O-N 3.08Å; A76-K78 PolarHBondContact O-N 3.33Å; A76-I79 PolarHBondContact O-N 3.14Å
77	E	96.8	Very high	95.1	Very high	162 Å²	162	52 Å²	52	76%	0.757	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.9	177.7	-58.2	-172.5	167.3	0	0	112.5	D74 F75 I79	D74-E77 WeakPolarHBondContact O-CB 3.47Å; D74-E77 PolarHBondContact O-N 2.86Å; D74-E77 VanDerWaalsContact O-N 3.14Å; F75-E77 PolarHBondContact O-N 3.31Å; E77-I79 VanDerWaalsContact C-N 3.3Å
78	K	97.7	Very high	94.9	Very high	52 Å²	52	51.3 Å²	51.3	23%	0.226	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-82	-8.3	177.5	-61.5	175.3	-178.7	169.1	0	112.5	L31 P35 V37 T39 V40 F75 A76	L31-K78 HydrophobicContact CD2-CB 4.01Å; L31-K78 HydrophobicContact CD2-CD 4.24Å; P35-K78 PolarHBondContact O-NZ 2.97Å; V37-K78 HydrophobicContact CG1-CD 4.46Å; T39-K78 CarbonylContact C-O 3.15Å; T39-K78 WeakPolarHBondContact CA-O 3.42Å; V40-K78 PolarHBondContact N-O 3.24Å; F75-K78 WeakPolarHBondContact O-CB 3.2Å; F75-K78 PolarHBondContact O-N 3.11Å; F75-K78 VanDerWaalsContact O-N 3.12Å; A76-K78 PolarHBondContact O-N 3.33Å
79	I	98.3	Very high	94.5	Very high	21 Å²	21	58.2 Å²	58.2	11%	0.108	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.1	-175.9	-55.8	171.3	0	0	0	109.8	L27 L31 V40 V42 V56 I60 F75 A76 E77	L27-I79 HydrophobicContact CD1-CD1 4.47Å; L27-I79 HydrophobicContact CD1-CG1 4.43Å; L27-I79 HydrophobicContact CD2-CD1 4.19Å; L31-I79 HydrophobicContact CD1-CD1 3.76Å; L31-I79 HydrophobicContact CD1-CG1 3.84Å; V40-I79 WeakPolarHBondContact O-CA 3.48Å; V42-I79 HydrophobicContact CG1-CG2 4.25Å; V42-I79 HydrophobicContact CG2-CG2 3.81Å; V56-I79 HydrophobicContact CG1-CG2 3.71Å; I60-I79 HydrophobicContact CG2-CD1 3.85Å; F75-I79 HydrophobicContact CD2-CD1 3.92Å; F75-I79 HydrophobicContact CE2-CD1 3.94Å; A76-I79 PolarHBondContact O-N 3.14Å; E77-I79 VanDerWaalsContact C-N 3.3Å
80	T	97.6	Very high	94.2	Very high	57 Å²	57	59.1 Å²	59.1	35%	0.35	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.3	173.1	-62.5	0	0	0	0	110.1	T39 V40 Y41 V42	T39-T80 WeakPolarHBondContact CG2-OG1 3.44Å; V40-T80 PolarHBondContact O-N 3.33Å; Y41-T80 CarbonylContact C-O 3.53Å; Y41-T80 VanDerWaalsContact CA-O 3.3Å; Y41-T80 WeakPolarHBondContact CA-O 3.37Å; Y41-T80 HydrophobicContact CD1-CG2 3.78Å; Y41-T80 HydrophobicContact CE1-CG2 3.86Å; V42-T80 PolarHBondContact N-O 3.28Å
81	A	96.8	Very high	94.1	Very high	14 Å²	14	55.3 Å²	55.3	12%	0.116	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.9	175.5	0	0	0	0	0	110.6	V42 P52 Q53 V56	V42-A81 HydrophobicContact CG2-CB 4.36Å; P52-A81 HydrophobicContact CB-CB 4.08Å; Q53-A81 HydrophobicContact CG-CB 4.14Å; V56-A81 HydrophobicContact CB-CB 4.37Å; V56-A81 HydrophobicContact CG2-CB 3.73Å
82	V	95.4	Very high	94.1	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.5	176.5	-177.7	0	0	0	0	108.5	Y41 V42 V44 S84 L93 D97 L101	Y41-V82 HydrophobicContact CD1-CG2 3.97Å; V42-V82 PolarHBondContact O-N 3.18Å; V44-V82 PolarHBondContact N-O 3.24Å; V82-S84 PolarHBondContact O-N 2.69Å; V82-L93 HydrophobicContact CG1-CD2 3.35Å; V82-D97 HydrophobicContact CG1-CB 3.97Å; V82-L101 HydrophobicContact CG1-CD1 4.48Å
83	N	94.2	Very high	94	Very high	42 Å²	42	52.2 Å²	52.2	23%	0.225	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.9	173.8	-177.1	71.3	0	0	0	108.9	S46 P52 D92 L93	S46-N83 PolarHBondContact OG-OD1 3.41Å; P52-N83 HydrophobicContact CG-CB 3.79Å; N83-D92 PolarHBondContact ND2-O 3.31Å; N83-D92 PolarHBondContact ND2-OD2 3.23Å; N83-L93 WeakPolarHBondContact O-CD2 3.46Å
84	S	93.9	Very high	94.1	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.035	28%	0.277	C	S	.	.			trans	-160	132.9	173.1	176.5	0	0	0	0	111.9	M43 V44 R45 V82 L91	M43-S84 WeakPolarHBondContact CE-OG 3.25Å; V44-S84 CarbonylContact C-O 3.59Å; V44-S84 PolarHBondContact O-N 3.07Å; R45-S84 WeakPolarHBondContact CA-O 3.23Å; R45-S84 WeakPolarHBondContact CB-O 3.26Å; R45-S84 PolarHBondContact N-O 2.86Å; R45-S84 VanDerWaalsContact N-O 3.13Å; V82-S84 PolarHBondContact O-N 2.69Å; S84-L91 VanDerWaalsContact CA-O 3.27Å; S84-L91 WeakPolarHBondContact CA-O 3.33Å; S84-L91 VanDerWaalsContact CB-O 3.32Å; S84-L91 WeakPolarHBondContact CB-O 3.32Å; S84-L91 PolarHBondContact OG-O 2.84Å
85	D	91.6	Very high	94.1	Very high	44 Å²	44	52.1 Å²	52.1	24%	0.235	28%	0.278	C	S	.	.			trans	-116.7	112.1	163.5	-163.4	-26.6	0	0	0	109.2	T87 V88 L91 D92	D85-T87 PolarHBondContact O-N 2.9Å; D85-T87 VanDerWaalsContact O-N 3.16Å; D85-T87 PolarHBondContact OD1-N 2.85Å; D85-T87 VanDerWaalsContact OD1-N 3.1Å; D85-T87 PolarHBondContact OD1-OG1 3.35Å; D85-V88 HydrophobicContact CB-CB 4.45Å; D85-V88 HydrophobicContact CB-CG2 3.83Å; D85-V88 PolarHBondContact O-N 3.11Å; D85-L91 PolarHBondContact N-O 2.73Å; D85-L91 CarbonylContact O-C 3.38Å; D85-L91 VanDerWaalsContact O-C 3.25Å; D85-D92 HydrophobicContact CB-CB 4.03Å
86	L	90.8	Very high	94.1	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.073	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.1	-174.8	-55.2	-179.9	0	0	0	112.8	M43 V88 L91 A112 L127 A131 M135	M43-L86 HydrophobicContact CE-CD2 3.8Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-L91 HydrophobicContact CB-CD2 4.49Å; L86-L91 HydrophobicContact CD2-CD2 3.81Å; L86-A112 HydrophobicContact CD1-CB 3.21Å; L86-L127 HydrophobicContact CB-CD1 4.22Å; L86-A131 HydrophobicContact CB-CB 3.8Å; L86-M135 HydrophobicContact CD2-SD 4.17Å
87	T	88.6	Confident	94.1	Very high	55 Å²	55	58.2 Å²	58.2	34%	0.337	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.4	177.3	65.6	0	0	0	0	112.7	D85 Q126 L127	D85-T87 PolarHBondContact O-N 2.9Å; D85-T87 VanDerWaalsContact O-N 3.16Å; D85-T87 PolarHBondContact OD1-N 2.85Å; D85-T87 VanDerWaalsContact OD1-N 3.1Å; D85-T87 PolarHBondContact OD1-OG1 3.35Å; T87-Q126 HydrophobicContact CG2-CG 4.03Å; T87-Q126 PolarHBondContact O-NE2 3.28Å; T87-L127 HydrophobicContact CG2-CB 4.49Å; T87-L127 HydrophobicContact CG2-CD1 4.03Å
88	V	90.1	Very high	94.1	Very high	57 Å²	57	50.7 Å²	50.7	35%	0.345	27%	0.265	S	S	.	.	S	Bend	trans	-90.1	159.8	-178	-177.6	0	0	0	0	110.7	D85 L86 L91 D92 K134	D85-V88 HydrophobicContact CB-CB 4.45Å; D85-V88 HydrophobicContact CB-CG2 3.83Å; D85-V88 PolarHBondContact O-N 3.11Å; L86-V88 VanDerWaalsContact C-N 3.31Å; V88-L91 PolarHBondContact O-N 3.14Å; V88-D92 HydrophobicContact CB-CB 4.05Å; V88-D92 HydrophobicContact CG1-CB 4.25Å; V88-K134 PolarHBondContact O-NZ 3.37Å
89	L	87.6	Confident	94.1	Very high	146 Å²	146	51.3 Å²	51.3	76%	0.764	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-56.3	144.4	171.2	-70.2	172.3	0	0	0	110.2	L91 D92	L89-L91 PolarHBondContact O-N 3.19Å; L89-D92 PolarHBondContact O-N 2.62Å; L89-D92 VanDerWaalsContact O-N 3.13Å
90	E	90.2	Very high	94	Very high	108 Å²	108	53.8 Å²	53.8	51%	0.505	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	52.6	25.9	179.2	-63.5	-68.8	131.4	0	0	114.1	D92 L93 Q98	E90-D92 PolarHBondContact O-N 3.49Å; E90-D92 VanDerWaalsContact O-N 3.16Å; E90-L93 PolarHBondContact O-N 3.17Å; E90-L93 VanDerWaalsContact O-N 3.15Å; E90-Q98 PolarHBondContact OE2-NE2 2.82Å; E90-Q98 PolarHBondContact OE2-OE1 3.39Å
91	L	93.4	Very high	94.1	Very high	4 Å²	4	51 Å²	51	2%	0.021	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	60.3	18.8	179.8	-52.9	167.8	0	0	0	114.3	M43 S84 D85 L86 V88 L89 L93 K134 M135 L138	M43-L91 HydrophobicContact CE-CB 4.32Å; M43-L91 HydrophobicContact CE-CD1 4.21Å; S84-L91 VanDerWaalsContact CA-O 3.27Å; S84-L91 WeakPolarHBondContact CA-O 3.33Å; S84-L91 VanDerWaalsContact CB-O 3.32Å; S84-L91 WeakPolarHBondContact CB-O 3.32Å; S84-L91 PolarHBondContact OG-O 2.84Å; D85-L91 PolarHBondContact N-O 2.73Å; D85-L91 CarbonylContact O-C 3.38Å; D85-L91 VanDerWaalsContact O-C 3.25Å; L86-L91 HydrophobicContact CB-CD2 4.49Å; L86-L91 HydrophobicContact CD2-CD2 3.81Å; V88-L91 PolarHBondContact O-N 3.14Å; L89-L91 PolarHBondContact O-N 3.19Å; L91-L93 HydrophobicContact CB-CD1 3.93Å; L91-L93 HydrophobicContact CB-CG 4.02Å; L91-L93 HydrophobicContact CD1-CD1 4.08Å; L91-L93 PolarHBondContact O-N 2.72Å; L91-K134 HydrophobicContact CD1-CB 4.48Å; L91-K134 HydrophobicContact CD2-CB 3.49Å; L91-K134 VanDerWaalsContact CD2-CB 3.49Å; L91-K134 HydrophobicContact CD2-CD 4.05Å; L91-K134 HydrophobicContact CD2-CG 4.43Å; L91-K134 HydrophobicContact CG-CB 3.98Å; L91-M135 HydrophobicContact CD1-CG 4.43Å; L91-M135 HydrophobicContact CD1-SD 3.64Å; L91-M135 HydrophobicContact CD2-CG 4.42Å; L91-M135 HydrophobicContact CD2-SD 4.35Å; L91-L138 HydrophobicContact CD1-CB 4.26Å; L91-L138 HydrophobicContact CD1-CD2 3.91Å
92	D	94.4	Very high	94.2	Very high	69 Å²	69	51 Å²	51	37%	0.369	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	57.9	27.9	-172.2	-158.8	38.7	0	0	0	113.7	N83 D85 V88 L89 E90	N83-D92 PolarHBondContact ND2-O 3.31Å; N83-D92 PolarHBondContact ND2-OD2 3.23Å; D85-D92 HydrophobicContact CB-CB 4.03Å; V88-D92 HydrophobicContact CB-CB 4.05Å; V88-D92 HydrophobicContact CG1-CB 4.25Å; L89-D92 PolarHBondContact O-N 2.62Å; L89-D92 VanDerWaalsContact O-N 3.13Å; E90-D92 PolarHBondContact O-N 3.49Å; E90-D92 VanDerWaalsContact O-N 3.16Å
93	L	94.9	Very high	94.3	Very high	15 Å²	15	54.7 Å²	54.7	8%	0.079	29%	0.287	C	S	.	.			trans	-87.9	134.4	178.8	-67.2	168.5	0	0	0	110.9	M43 V82 N83 E90 L91 D97 Q98 L101 L138	M43-L93 HydrophobicContact CE-CD1 4.41Å; V82-L93 HydrophobicContact CG1-CD2 3.35Å; N83-L93 WeakPolarHBondContact O-CD2 3.46Å; E90-L93 PolarHBondContact O-N 3.17Å; E90-L93 VanDerWaalsContact O-N 3.15Å; L91-L93 HydrophobicContact CB-CD1 3.93Å; L91-L93 HydrophobicContact CB-CG 4.02Å; L91-L93 HydrophobicContact CD1-CD1 4.08Å; L91-L93 PolarHBondContact O-N 2.72Å; L93-D97 HydrophobicContact CD2-CB 4.18Å; L93-Q98 HydrophobicContact CB-CG 3.63Å; L93-Q98 HydrophobicContact CD1-CG 4.19Å; L93-L101 HydrophobicContact CD1-CD1 4.05Å; L93-L101 HydrophobicContact CD2-CD1 4.11Å; L93-L138 HydrophobicContact CD1-CD2 3.83Å
94	S	95	Very high	94.5	Very high	44 Å²	44	55.3 Å²	55.3	31%	0.308	29%	0.29	S	S	.	.			trans	-62.2	158.5	166.9	70.8	0	0	0	0	110.9	E96 D97 Q98	S94-E96 WeakPolarHBondContact CB-OE2 3.38Å; S94-E96 PolarHBondContact O-N 3.46Å; S94-D97 PolarHBondContact O-N 2.85Å; S94-D97 VanDerWaalsContact OG-CB 3.28Å; S94-D97 WeakPolarHBondContact OG-CB 3.46Å; S94-D97 PolarHBondContact OG-N 3.49Å; S94-D97 PolarHBondContact OG-OD2 3.02Å; S94-Q98 WeakPolarHBondContact O-CG 3.29Å; S94-Q98 PolarHBondContact O-N 3.45Å
95	K	95.8	Very high	94.7	Very high	138 Å²	138	55 Å²	55	60%	0.6	29%	0.289	S	S	*	.	H	α-helix	trans	-65	-31.8	178	-69.7	-63.7	-177.8	-171.4	0	111.3	S99	K95-S99 WeakPolarHBondContact O-CB 3.19Å; K95-S99 PolarHBondContact O-N 3.46Å; K95-S99 PolarHBondContact O-OG 3.48Å
96	E	96.4	Very high	95	Very high	130 Å²	130	54.1 Å²	54.1	61%	0.607	28%	0.284	S	S	*	.	H	α-helix	trans	-64.4	-52.2	174.5	-62.3	70	-153.5	0	0	110.3	S94 Q98 S99 I100	S94-E96 WeakPolarHBondContact CB-OE2 3.38Å; S94-E96 PolarHBondContact O-N 3.46Å; E96-Q98 PolarHBondContact O-N 2.87Å; E96-S99 WeakPolarHBondContact O-CB 3.31Å; E96-S99 PolarHBondContact O-N 3.12Å; E96-S99 VanDerWaalsContact O-N 3.14Å; E96-I100 WeakPolarHBondContact O-CG1 3.44Å; E96-I100 PolarHBondContact O-N 3.38Å
97	D	96.1	Very high	95.4	Very high	43 Å²	43	53.4 Å²	53.4	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-43.1	178.1	-69.8	-43	0	0	0	111.6	V82 L93 S94 S99 I100 L101	V82-D97 HydrophobicContact CG1-CB 3.97Å; L93-D97 HydrophobicContact CD2-CB 4.18Å; S94-D97 PolarHBondContact O-N 2.85Å; S94-D97 VanDerWaalsContact OG-CB 3.28Å; S94-D97 WeakPolarHBondContact OG-CB 3.46Å; S94-D97 PolarHBondContact OG-N 3.49Å; S94-D97 PolarHBondContact OG-OD2 3.02Å; D97-S99 VanDerWaalsContact C-N 3.27Å; D97-S99 PolarHBondContact O-N 3.44Å; D97-I100 PolarHBondContact O-N 2.8Å; D97-L101 WeakPolarHBondContact O-CB 3.36Å; D97-L101 VanDerWaalsContact O-CG 3.27Å; D97-L101 WeakPolarHBondContact O-CG 3.48Å; D97-L101 PolarHBondContact O-N 3.03Å
98	Q	96.8	Very high	95.9	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-44.7	174.4	-73.5	-169.1	29.2	0	0	111.4	E90 L93 S94 E96 L101 V102 R141	E90-Q98 PolarHBondContact OE2-NE2 2.82Å; E90-Q98 PolarHBondContact OE2-OE1 3.39Å; L93-Q98 HydrophobicContact CB-CG 3.63Å; L93-Q98 HydrophobicContact CD1-CG 4.19Å; S94-Q98 WeakPolarHBondContact O-CG 3.29Å; S94-Q98 PolarHBondContact O-N 3.45Å; E96-Q98 PolarHBondContact O-N 2.87Å; Q98-L101 PolarHBondContact O-N 3.19Å; Q98-V102 VanDerWaalsContact O-CB 3.29Å; Q98-V102 WeakPolarHBondContact O-CB 3.48Å; Q98-V102 VanDerWaalsContact O-CG2 3.25Å; Q98-V102 WeakPolarHBondContact O-CG2 3.15Å; Q98-V102 PolarHBondContact O-N 3.39Å; Q98-R141 VanDerWaalsContact OE1-NH2 3.15Å
99	S	97.7	Very high	96.3	Very high	65 Å²	65	48.1 Å²	48.1	46%	0.455	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-45.6	179.8	-57.3	0	0	0	0	111	K95 E96 D97 L101 V102 E103	K95-S99 WeakPolarHBondContact O-CB 3.19Å; K95-S99 PolarHBondContact O-N 3.46Å; K95-S99 PolarHBondContact O-OG 3.48Å; E96-S99 WeakPolarHBondContact O-CB 3.31Å; E96-S99 PolarHBondContact O-N 3.12Å; E96-S99 VanDerWaalsContact O-N 3.14Å; D97-S99 VanDerWaalsContact C-N 3.27Å; D97-S99 PolarHBondContact O-N 3.44Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 2.75Å; S99-V102 PolarHBondContact O-N 2.98Å; S99-E103 WeakPolarHBondContact O-CB 3.26Å; S99-E103 VanDerWaalsContact O-CG 3.24Å; S99-E103 WeakPolarHBondContact O-CG 3.48Å; S99-E103 PolarHBondContact O-N 3.3Å
100	I	97.7	Very high	96.8	Very high	72 Å²	72	41.2 Å²	41.2	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-56.7	-47.8	176	-69.1	166.2	0	0	0	110.6	Y41 E96 D97 E103 N104	Y41-I100 HydrophobicContact CE1-CG2 3.69Å; E96-I100 WeakPolarHBondContact O-CG1 3.44Å; E96-I100 PolarHBondContact O-N 3.38Å; D97-I100 PolarHBondContact O-N 2.8Å; I100-E103 PolarHBondContact O-N 3.43Å; I100-N104 VanDerWaalsContact O-CB 3.29Å; I100-N104 WeakPolarHBondContact O-CB 3.38Å; I100-N104 PolarHBondContact O-N 2.94Å; I100-N104 VanDerWaalsContact O-N 3.11Å; I100-N104 PolarHBondContact O-ND2 3.26Å
101	L	98.3	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-42.2	-178.8	-66.6	179.6	0	0	0	112.1	L14 Y41 V82 L93 D97 Q98 S99 I105 L138 M142	L14-L101 HydrophobicContact CD1-CD1 4.38Å; L14-L101 HydrophobicContact CD1-CD2 3.82Å; L14-L101 HydrophobicContact CD2-CD1 4.31Å; L14-L101 HydrophobicContact CD2-CD2 4.43Å; Y41-L101 HydrophobicContact CD1-CD2 3.95Å; Y41-L101 HydrophobicContact CG-CD2 3.95Å; V82-L101 HydrophobicContact CG1-CD1 4.48Å; L93-L101 HydrophobicContact CD1-CD1 4.05Å; L93-L101 HydrophobicContact CD2-CD1 4.11Å; D97-L101 WeakPolarHBondContact O-CB 3.36Å; D97-L101 VanDerWaalsContact O-CG 3.27Å; D97-L101 WeakPolarHBondContact O-CG 3.48Å; D97-L101 PolarHBondContact O-N 3.03Å; Q98-L101 PolarHBondContact O-N 3.19Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 2.75Å; L101-I105 HydrophobicContact CB-CG1 4.23Å; L101-I105 HydrophobicContact CD2-CD1 3.96Å; L101-I105 HydrophobicContact CD2-CG1 3.86Å; L101-I105 WeakPolarHBondContact O-CB 3.25Å; L101-I105 WeakPolarHBondContact O-CG1 3.41Å; L101-I105 PolarHBondContact O-N 2.78Å; L101-L138 HydrophobicContact CD1-CD2 4.17Å; L101-M142 HydrophobicContact CB-CE 4.4Å
102	V	98.4	Very high	96.7	Very high	14 Å²	14	37.6 Å²	37.6	9%	0.085	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-41.1	178.3	157.8	0	0	0	0	112.4	Q98 S99 L138 R141 M142 K143	Q98-V102 VanDerWaalsContact O-CB 3.29Å; Q98-V102 WeakPolarHBondContact O-CB 3.48Å; Q98-V102 VanDerWaalsContact O-CG2 3.25Å; Q98-V102 WeakPolarHBondContact O-CG2 3.15Å; Q98-V102 PolarHBondContact O-N 3.39Å; S99-V102 PolarHBondContact O-N 2.98Å; V102-L138 HydrophobicContact CG2-CD1 4.06Å; V102-R141 HydrophobicContact CG1-CB 4.46Å; V102-R141 VanDerWaalsContact CG1-O 3.23Å; V102-R141 WeakPolarHBondContact CG1-O 3.33Å; V102-R141 HydrophobicContact CG2-CB 3.67Å; V102-M142 WeakPolarHBondContact O-CA 3.32Å; V102-K143 PolarHBondContact O-N 3.05Å
103	E	98.4	Very high	96.1	Very high	79 Å²	79	35.8 Å²	35.8	37%	0.369	19%	0.194	S	C	.	.	H	α-helix	trans	-78.7	-27.6	-177.1	-65.3	-62.4	155.9	0	0	113.1	S99 I100 K143 H144	S99-E103 WeakPolarHBondContact O-CB 3.26Å; S99-E103 VanDerWaalsContact O-CG 3.24Å; S99-E103 WeakPolarHBondContact O-CG 3.48Å; S99-E103 PolarHBondContact O-N 3.3Å; I100-E103 PolarHBondContact O-N 3.43Å; E103-K143 WeakPolarHBondContact OE1-CE 3.4Å; E103-K143 IonicContact OE1-NZ 3.54Å; E103-K143 PolarHBondContact OE1-NZ 3.31Å; E103-K143 WeakPolarHBondContact OE2-CD 3.47Å; E103-K143 VanDerWaalsContact OE2-CE 3.3Å; E103-K143 WeakPolarHBondContact OE2-CE 3.47Å; E103-K143 IonicContact OE2-NZ 3.6Å; E103-K143 PolarHBondContact OE2-NZ 2.89Å; E103-H144 PolarHBondContact O-CD2 3.36Å
104	N	98.1	Very high	95.1	Very high	55 Å²	55	35.5 Å²	35.5	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-114	-27.7	-164.6	-67	-77	0	0	0	115.3	N12 I100	N12-N104 VanDerWaalsContact CB-O 3.27Å; N12-N104 WeakPolarHBondContact CB-O 3.48Å; N12-N104 PolarHBondContact ND2-O 2.81Å; I100-N104 VanDerWaalsContact O-CB 3.29Å; I100-N104 WeakPolarHBondContact O-CB 3.38Å; I100-N104 PolarHBondContact O-N 2.94Å; I100-N104 VanDerWaalsContact O-N 3.11Å; I100-N104 PolarHBondContact O-ND2 3.26Å
105	I	98.7	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.			trans	-74.2	132.9	-167.4	-63.4	-59.8	0	0	0	112.6	N12 L14 Y41 L101 I107 V108 M142 H144 L145	N12-I105 HydrophobicContact CB-CD1 4.18Å; L14-I105 HydrophobicContact CB-CD1 3.86Å; L14-I105 HydrophobicContact CB-CG1 4.14Å; L14-I105 HydrophobicContact CB-CG2 3.95Å; Y41-I105 HydrophobicContact CD2-CD1 3.33Å; Y41-I105 HydrophobicContact CE2-CD1 3.83Å; Y41-I105 HydrophobicContact CG-CD1 3.95Å; L101-I105 HydrophobicContact CB-CG1 4.23Å; L101-I105 HydrophobicContact CD2-CD1 3.96Å; L101-I105 HydrophobicContact CD2-CG1 3.86Å; L101-I105 WeakPolarHBondContact O-CB 3.25Å; L101-I105 WeakPolarHBondContact O-CG1 3.41Å; L101-I105 PolarHBondContact O-N 2.78Å; I105-I107 WeakPolarHBondContact CG2-O 3.27Å; I105-V108 HydrophobicContact CG2-CG2 3.8Å; I105-M142 HydrophobicContact CB-CE 3.84Å; I105-M142 HydrophobicContact CB-CG 4.49Å; I105-M142 HydrophobicContact CB-SD 3.76Å; I105-M142 HydrophobicContact CG1-CE 3.99Å; I105-M142 HydrophobicContact CG2-CE 3.87Å; I105-M142 HydrophobicContact CG2-SD 3.65Å; I105-H144 CarbonylContact O-C 3.56Å; I105-L145 HydrophobicContact CG2-CD1 4.33Å; I105-L145 PolarHBondContact O-N 2.97Å
106	N	98.7	Very high	93	Very high	24 Å²	24	39.5 Å²	39.5	13%	0.128	20%	0.203	C	C	.	.			trans	-104.9	-31.3	174.7	-56.8	107.8	0	0	0	112.9	K11 N12 H144 E146	K11-N106 WeakPolarHBondContact CA-OD1 3.17Å; K11-N106 HydrophobicContact CB-CB 4.06Å; K11-N106 HydrophobicContact CD-CB 4.17Å; K11-N106 HydrophobicContact CG-CB 4.2Å; N12-N106 PolarHBondContact N-OD1 3.41Å; N12-N106 PolarHBondContact O-N 3.4Å; N106-H144 WeakPolarHBondContact CA-O 3.35Å; N106-H144 WeakPolarHBondContact ND2-CB 3.14Å; N106-H144 PolarHBondContact ND2-O 3.35Å; N106-E146 HydrophobicContact CB-CG 4.45Å; N106-E146 WeakPolarHBondContact O-CB 3.45Å; N106-E146 PolarHBondContact O-N 3.36Å
107	I	98.8	Very high	92	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.8	-172.3	-57.6	172.6	0	0	0	108.7	Y7 Y8 K11 N12 V13 L14 I105 F109 V147 A289	Y7-I107 HydrophobicContact CD1-CD1 4.41Å; Y7-I107 HydrophobicContact CE1-CD1 3.51Å; Y7-I107 HydrophobicContact CE1-CG1 4.49Å; Y8-I107 HydrophobicContact CD1-CD1 3.59Å; Y8-I107 HydrophobicContact CE1-CD1 3.42Å; Y8-I107 VanDerWaalsContact CE1-CD1 3.42Å; K11-I107 HydrophobicContact CB-CD1 4.49Å; K11-I107 HydrophobicContact CD-CD1 3.83Å; K11-I107 HydrophobicContact CD-CG1 4.36Å; N12-I107 PolarHBondContact O-N 3.01Å; V13-I107 CarbonylContact C-O 3.56Å; V13-I107 WeakPolarHBondContact CA-O 3.2Å; V13-I107 HydrophobicContact CG1-CB 4.44Å; V13-I107 HydrophobicContact CG1-CG2 4.41Å; V13-I107 HydrophobicContact CG2-CB 4.22Å; V13-I107 HydrophobicContact CG2-CD1 4.35Å; L14-I107 PolarHBondContact N-O 3.47Å; I105-I107 WeakPolarHBondContact CG2-O 3.27Å; I107-F109 HydrophobicContact CG2-CD2 4.05Å; I107-F109 HydrophobicContact CG2-CE2 3.54Å; I107-F109 HydrophobicContact CG2-CZ 3.88Å; I107-V147 HydrophobicContact CB-CG1 4.4Å; I107-V147 HydrophobicContact CG1-CG1 4.16Å; I107-V147 HydrophobicContact CG2-CG1 3.9Å; I107-A289 HydrophobicContact CG2-CB 4.42Å
108	V	98.8	Very high	90.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.6	174.6	177.8	0	0	0	0	109.6	L14 I105 M135 M142 L145 V147 F148 I149	L14-V108 HydrophobicContact CB-CG2 4.24Å; L14-V108 HydrophobicContact CD2-CG2 4.38Å; L14-V108 CarbonylContact O-C 3.03Å; L14-V108 WeakPolarHBondContact O-CA 3.27Å; I105-V108 HydrophobicContact CG2-CG2 3.8Å; V108-M135 HydrophobicContact CG1-CE 3.93Å; V108-M142 HydrophobicContact CG2-CE 3.96Å; V108-M142 HydrophobicContact CG2-SD 3.75Å; V108-L145 HydrophobicContact CB-CD1 4.36Å; V108-L145 HydrophobicContact CG2-CD1 3.61Å; V108-V147 PolarHBondContact N-O 3.19Å; V108-F148 HydrophobicContact CB-CD2 3.62Å; V108-F148 HydrophobicContact CB-CE2 4.15Å; V108-F148 HydrophobicContact CB-CG 4.26Å; V108-F148 HydrophobicContact CG1-CD2 3.52Å; V108-F148 HydrophobicContact CG1-CE2 3.5Å; V108-F148 VanDerWaalsContact CG1-CE2 3.5Å; V108-F148 HydrophobicContact CG1-CG 4.36Å; V108-F148 HydrophobicContact CG1-CZ 4.32Å; V108-F148 HydrophobicContact CG2-CD2 4.14Å; V108-I149 PolarHBondContact O-N 3.31Å
109	F	98.8	Very high	90.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	104.6	165.1	-65.2	-78.9	0	0	0	109.4	Y8 V13 L14 I15 S16 L26 I107 C111 I149 T285 L286 A289	Y8-F109 HydrophobicContact CE1-CE2 4.34Å; Y8-F109 HydrophobicContact CE1-CZ 4.29Å; V13-F109 HydrophobicContact CG1-CD2 3.53Å; V13-F109 HydrophobicContact CG1-CE2 3.65Å; L14-F109 PolarHBondContact O-N 2.95Å; I15-F109 WeakPolarHBondContact CA-O 3.3Å; I15-F109 HydrophobicContact CG1-CB 4.39Å; I15-F109 HydrophobicContact CG1-CD2 4.28Å; S16-F109 PolarHBondContact N-O 3.22Å; L26-F109 HydrophobicContact CD2-CB 3.74Å; L26-F109 HydrophobicContact CD2-CD1 4.14Å; L26-F109 HydrophobicContact CD2-CD2 4.16Å; L26-F109 HydrophobicContact CD2-CG 3.77Å; I107-F109 HydrophobicContact CG2-CD2 4.05Å; I107-F109 HydrophobicContact CG2-CE2 3.54Å; I107-F109 HydrophobicContact CG2-CZ 3.88Å; F109-C111 PolarHBondContact O-N 2.9Å; F109-I149 HydrophobicContact CD1-CB 3.72Å; F109-I149 HydrophobicContact CD1-CG1 3.91Å; F109-I149 HydrophobicContact CD1-CG2 4.07Å; F109-I149 HydrophobicContact CE1-CB 4.11Å; F109-I149 HydrophobicContact CE1-CG1 3.77Å; F109-I149 HydrophobicContact CE1-CG2 4.46Å; F109-T285 HydrophobicContact CD1-CG2 3.76Å; F109-T285 HydrophobicContact CE1-CG2 3.76Å; F109-L286 HydrophobicContact CE2-CD2 4.32Å; F109-L286 HydrophobicContact CZ-CD2 3.86Å; F109-A289 HydrophobicContact CE1-CB 3.69Å; F109-A289 HydrophobicContact CZ-CB 3.59Å
110	H	98.3	Very high	90.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	88.9	176.1	-175.5	37	0	0	0	110	S16 T132 F148 I149 H150 V151	S16-H110 PolarHBondContact OG-ND1 2.95Å; H110-T132 PolarHBondContact CD2-OG1 3.46Å; H110-T132 PolarHBondContact NE2-OG1 3.06Å; H110-F148 HydrophobicContact CB-CE1 4Å; H110-F148 HydrophobicContact CB-CE2 4.44Å; H110-F148 HydrophobicContact CB-CZ 3.67Å; H110-I149 PolarHBondContact N-O 2.69Å; H110-H150 AromaticContact CD2-ND1 3.5Å; H110-V151 PolarHBondContact O-N 2.84Å
111	C	94.3	Very high	89.8	Confident	23 Å²	23	38.7 Å²	38.7	16%	0.155	20%	0.199	C	C	.	.			trans	-102.2	-8.1	-178.5	-54.6	0	0	0	0	113.7	S16 F109 A113 V151	S16-C111 WeakPolarHBondContact O-CB 3.35Å; S16-C111 PolarHBondContact O-N 2.9Å; S16-C111 PolarHBondContact OG-N 2.88Å; F109-C111 PolarHBondContact O-N 2.9Å; C111-A113 PolarHBondContact O-N 2.9Å; C111-V151 HydrophobicContact CB-CG2 4.31Å; C111-V151 VanDerWaalsContact SG-CG2 3.57Å
112	A	86.6	Confident	89.5	Confident	14 Å²	14	41 Å²	41	12%	0.116	21%	0.21	C	C	.	.			trans	-70.8	131.5	-178.5	0	0	0	0	0	111.6	S16 L86	S16-A112 PolarHBondContact O-N 3.24Å; S16-A112 VanDerWaalsContact OG-CB 3.22Å; S16-A112 WeakPolarHBondContact OG-CB 3.45Å; S16-A112 PolarHBondContact OG-N 2.91Å; S16-A112 VanDerWaalsContact OG-N 3.17Å; L86-A112 HydrophobicContact CD1-CB 3.21Å
113	A	80.7	Confident	89.1	Confident	30 Å²	30	44.5 Å²	44.5	25%	0.248	23%	0.228	C	C	.	.			trans	-160.6	160.2	175.6	0	0	0	0	0	109.8	C111 N128 K208	C111-A113 PolarHBondContact O-N 2.9Å; A113-N128 WeakPolarHBondContact CA-OD1 3.49Å; A113-N128 WeakPolarHBondContact CB-OD1 3.24Å; A113-K208 VanDerWaalsContact CB-NZ 3.35Å
114	T	74.8	Confident	88.8	Confident	9 Å²	9	40.8 Å²	40.8	6%	0.055	21%	0.21	C	C	.	.			trans	-75.1	136.3	156.3	-179.5	0	0	0	0	109.1	R116 E119 A124 N128 Y204	T114-R116 PolarHBondContact OG1-N 2.83Å; T114-R116 VanDerWaalsContact OG1-N 3.1Å; T114-E119 WeakPolarHBondContact CB-OE2 3.45Å; T114-E119 WeakPolarHBondContact CG2-OE2 3.15Å; T114-E119 PolarHBondContact OG1-OE2 2.61Å; T114-A124 HydrophobicContact CG2-CB 4.35Å; T114-N128 WeakPolarHBondContact CG2-ND2 3.49Å; T114-N128 PolarHBondContact N-OD1 3.08Å; T114-Y204 WeakPolarHBondContact O-CD2 3.44Å; T114-Y204 WeakPolarHBondContact O-CE2 3.42Å
115	I	71.8	Confident	88.6	Confident	93 Å²	93	38.4 Å²	38.4	48%	0.477	20%	0.198	S	C	.	.			trans	-110.5	14.5	171.2	59	168.9	0	0	0	111.1	F117 N248	I115-F117 PolarHBondContact O-N 3.19Å; I115-N248 HydrophobicContact CD1-CB 4.34Å; I115-N248 WeakPolarHBondContact CD1-ND2 3.41Å
116	R	75.4	Confident	88.3	Confident	174 Å²	174	41.2 Å²	41.2	66%	0.657	21%	0.211	S	C	*	.			trans	-88.1	108	178	-66.3	178.8	175	-165.9	-0.7	108.5	T114 N118 E119	T114-R116 PolarHBondContact OG1-N 2.83Å; T114-R116 VanDerWaalsContact OG1-N 3.1Å; R116-N118 PolarHBondContact O-N 2.72Å; R116-E119 HydrophobicContact CB-CB 4.19Å; R116-E119 PolarHBondContact O-N 3.11Å
117	F	75.1	Confident	87.9	Confident	54 Å²	54	42 Å²	42	24%	0.237	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22	-178	-59.5	-55.5	0	0	0	114.3	I115 N202 Y204 V393 L394	I115-F117 PolarHBondContact O-N 3.19Å; F117-N202 HydrophobicContact CB-CB 4.27Å; F117-N202 VanDerWaalsContact O-CB 3.28Å; F117-N202 WeakPolarHBondContact O-CB 3.3Å; F117-Y204 AromaticContact CD1-CD1 3.68Å; F117-Y204 HydrophobicContact CD1-CD1 3.68Å; F117-Y204 HydrophobicContact CD1-CE1 4.49Å; F117-Y204 AromaticContact CD1-CG 3.91Å; F117-Y204 HydrophobicContact CD1-CG 3.91Å; F117-Y204 AromaticContact CE1-CD1 3.48Å; F117-Y204 HydrophobicContact CE1-CD1 3.48Å; F117-Y204 VanDerWaalsContact CE1-CD1 3.48Å; F117-Y204 AromaticContact CE1-CE1 3.86Å; F117-Y204 HydrophobicContact CE1-CE1 3.86Å; F117-Y204 HydrophobicContact CE1-CG 4.09Å; F117-V393 HydrophobicContact CB-CG1 3.32Å; F117-V393 HydrophobicContact CD2-CG1 3.31Å; F117-V393 HydrophobicContact CE2-CG1 4.35Å; F117-V393 HydrophobicContact CG-CG1 3.63Å; F117-L394 HydrophobicContact CE2-CD2 4.19Å
118	N	72.9	Confident	87.6	Confident	120 Å²	120	42 Å²	42	64%	0.642	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	26.8	-177.8	-64.4	-8	0	0	0	112.9	R116 V393	R116-N118 PolarHBondContact O-N 2.72Å; N118-V393 WeakPolarHBondContact ND2-CG2 3.22Å; N118-V393 WeakPolarHBondContact OD1-CG2 3.29Å
119	E	85.1	Confident	87.4	Confident	39 Å²	39	42 Å²	42	18%	0.182	22%	0.215	C	C	.	.			trans	-75.3	141.3	176.9	-158.7	152.9	-120.8	0	0	110.3	T114 R116 D123 T203	T114-E119 WeakPolarHBondContact CB-OE2 3.45Å; T114-E119 WeakPolarHBondContact CG2-OE2 3.15Å; T114-E119 PolarHBondContact OG1-OE2 2.61Å; R116-E119 HydrophobicContact CB-CB 4.19Å; R116-E119 PolarHBondContact O-N 3.11Å; E119-D123 HydrophobicContact CG-CB 3.74Å; E119-T203 PolarHBondContact O-OG1 3.19Å
120	P	91.8	Very high	87.3	Confident	81 Å²	81	43.7 Å²	43.7	53%	0.526	22%	0.224	S	C	.	.			trans	-50.6	144.4	174	-27.1	36	0	0	0	111.4	K122 D123 A124	P120-K122 VanDerWaalsContact C-N 3.3Å; P120-K122 PolarHBondContact O-N 3.4Å; P120-D123 PolarHBondContact O-N 2.75Å; P120-A124 PolarHBondContact O-N 3.5Å
121	L	91.9	Very high	87.1	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-39.4	-171.3	178.6	60.9	0	0	0	112.6	A124 I125 L181 V189 T193 L196 T203 Y206 T207	L121-A124 PolarHBondContact O-N 3.47Å; L121-I125 HydrophobicContact CD1-CD1 3.95Å; L121-I125 HydrophobicContact CD1-CG1 4.16Å; L121-I125 HydrophobicContact CG-CD1 3.91Å; L121-I125 HydrophobicContact CG-CG1 4.49Å; L121-I125 WeakPolarHBondContact O-CB 3.39Å; L121-I125 WeakPolarHBondContact O-CG1 3.29Å; L121-I125 PolarHBondContact O-N 2.72Å; L121-L181 HydrophobicContact CD2-CD1 4.36Å; L121-V189 HydrophobicContact CB-CG1 3.9Å; L121-V189 HydrophobicContact CD2-CG1 4.22Å; L121-V189 HydrophobicContact CG-CG1 4.42Å; L121-T193 HydrophobicContact CB-CG2 4.18Å; L121-T193 WeakPolarHBondContact CB-OG1 3.29Å; L121-T193 HydrophobicContact CD2-CG2 4.35Å; L121-L196 HydrophobicContact CD2-CB 4.34Å; L121-L196 HydrophobicContact CD2-CD1 3.61Å; L121-T203 HydrophobicContact CB-CG2 4.12Å; L121-T203 HydrophobicContact CD1-CG2 4.13Å; L121-Y206 HydrophobicContact CD1-CD1 3.89Å; L121-Y206 HydrophobicContact CD1-CE1 4.17Å; L121-T207 HydrophobicContact CD1-CG2 4.01Å
122	K	91.7	Very high	87.2	Confident	50 Å²	50	42.6 Å²	42.6	22%	0.217	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-50.3	175.8	-85	175.6	170.2	-169.3	0	112.6	P120 A124 I125 Q126 L181 M184 D186 V189	P120-K122 VanDerWaalsContact C-N 3.3Å; P120-K122 PolarHBondContact O-N 3.4Å; K122-A124 VanDerWaalsContact C-N 3.31Å; K122-A124 PolarHBondContact O-N 3.47Å; K122-I125 PolarHBondContact O-N 2.84Å; K122-Q126 WeakPolarHBondContact O-CB 3.46Å; K122-Q126 PolarHBondContact O-N 3.06Å; K122-L181 VanDerWaalsContact CE-O 3.23Å; K122-L181 WeakPolarHBondContact CE-O 3.42Å; K122-M184 WeakPolarHBondContact CE-O 3.49Å; K122-M184 PolarHBondContact NZ-O 3.25Å; K122-D186 WeakPolarHBondContact CD-OD1 3.47Å; K122-D186 WeakPolarHBondContact CE-OD1 3.4Å; K122-D186 IonicContact NZ-OD1 2.76Å; K122-D186 PolarHBondContact NZ-OD1 3.46Å; K122-V189 HydrophobicContact CD-CG2 4.18Å; K122-V189 HydrophobicContact CG-CG1 4.22Å; K122-V189 HydrophobicContact CG-CG2 4.18Å
123	D	91.3	Very high	87.7	Confident	87 Å²	87	44.8 Å²	44.8	47%	0.465	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-43.7	178.2	-67.9	-22.5	0	0	0	111.2	E119 P120 I125 Q126 L127	E119-D123 HydrophobicContact CG-CB 3.74Å; P120-D123 PolarHBondContact O-N 2.75Å; D123-I125 PolarHBondContact O-N 3.13Å; D123-Q126 PolarHBondContact O-N 2.83Å; D123-L127 PolarHBondContact O-N 3.26Å; D123-L127 VanDerWaalsContact O-N 3.12Å
124	A	92.2	Very high	88.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-40.2	177.1	0	0	0	0	0	111.9	T114 P120 L121 K122 N128 T207	T114-A124 HydrophobicContact CG2-CB 4.35Å; P120-A124 PolarHBondContact O-N 3.5Å; L121-A124 PolarHBondContact O-N 3.47Å; K122-A124 VanDerWaalsContact C-N 3.31Å; K122-A124 PolarHBondContact O-N 3.47Å; A124-N128 VanDerWaalsContact O-CB 3.22Å; A124-N128 WeakPolarHBondContact O-CB 3.42Å; A124-N128 PolarHBondContact O-N 3.33Å; A124-T207 HydrophobicContact CB-CG2 3.81Å
125	I	92.9	Very high	89.5	Confident	6 Å²	6	45 Å²	45	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-44.6	175	-77.3	172.8	0	0	0	111.3	L121 K122 D123 L127 V129 L130 L178 L181 T207	L121-I125 HydrophobicContact CD1-CD1 3.95Å; L121-I125 HydrophobicContact CD1-CG1 4.16Å; L121-I125 HydrophobicContact CG-CD1 3.91Å; L121-I125 HydrophobicContact CG-CG1 4.49Å; L121-I125 WeakPolarHBondContact O-CB 3.39Å; L121-I125 WeakPolarHBondContact O-CG1 3.29Å; L121-I125 PolarHBondContact O-N 2.72Å; K122-I125 PolarHBondContact O-N 2.84Å; D123-I125 PolarHBondContact O-N 3.13Å; I125-L127 VanDerWaalsContact C-N 3.28Å; I125-L127 PolarHBondContact O-N 3.14Å; I125-V129 HydrophobicContact CG1-CG2 4.45Å; I125-V129 HydrophobicContact CG2-CB 4.31Å; I125-V129 WeakPolarHBondContact O-CA 3.29Å; I125-V129 WeakPolarHBondContact O-CB 3.44Å; I125-V129 PolarHBondContact O-N 3.34Å; I125-L130 HydrophobicContact CG2-CD1 4.15Å; I125-L130 HydrophobicContact CG2-CG 4.14Å; I125-L130 PolarHBondContact O-N 3.12Å; I125-L178 HydrophobicContact CG2-CD2 3.43Å; I125-L178 VanDerWaalsContact CG2-CD2 3.43Å; I125-L181 HydrophobicContact CD1-CD1 3.14Å; I125-T207 HydrophobicContact CG1-CG2 3.67Å
126	Q	91.9	Very high	90.8	Very high	59 Å²	59	40.7 Å²	40.7	28%	0.276	20%	0.197	S	C	.	.	I	π-helix	trans	-55.6	-46.8	179.5	-173.5	65.5	11.3	0	0	110.9	T87 K122 D123 A131	T87-Q126 HydrophobicContact CG2-CG 4.03Å; T87-Q126 PolarHBondContact O-NE2 3.28Å; K122-Q126 WeakPolarHBondContact O-CB 3.46Å; K122-Q126 PolarHBondContact O-N 3.06Å; D123-Q126 PolarHBondContact O-N 2.83Å; Q126-A131 PolarHBondContact O-N 3.05Å
127	L	90.3	Very high	91.8	Very high	39 Å²	39	35 Å²	35	20%	0.204	19%	0.187	C	C	.	.	I	π-helix	trans	-86.9	-32	-174.4	-171.5	58.7	0	0	0	114.6	L86 T87 D123 I125 A131	L86-L127 HydrophobicContact CB-CD1 4.22Å; T87-L127 HydrophobicContact CG2-CB 4.49Å; T87-L127 HydrophobicContact CG2-CD1 4.03Å; D123-L127 PolarHBondContact O-N 3.26Å; D123-L127 VanDerWaalsContact O-N 3.12Å; I125-L127 VanDerWaalsContact C-N 3.28Å; I125-L127 PolarHBondContact O-N 3.14Å; L127-A131 WeakPolarHBondContact O-CB 3.48Å
128	N	93.8	Very high	92.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.178	C	C	.	.	I	π-helix	trans	-97.3	-26.1	-176.6	-66.4	-17.8	0	0	0	113.5	A113 T114 A124 T132 T207 A211	A113-N128 WeakPolarHBondContact CA-OD1 3.49Å; A113-N128 WeakPolarHBondContact CB-OD1 3.24Å; T114-N128 WeakPolarHBondContact CG2-ND2 3.49Å; T114-N128 PolarHBondContact N-OD1 3.08Å; A124-N128 VanDerWaalsContact O-CB 3.22Å; A124-N128 WeakPolarHBondContact O-CB 3.42Å; A124-N128 PolarHBondContact O-N 3.33Å; N128-T132 PolarHBondContact O-OG1 2.8Å; N128-T207 PolarHBondContact ND2-OG1 3.41Å; N128-A211 WeakPolarHBondContact O-CB 3.39Å
129	V	94.9	Very high	94.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-111.3	-59.2	-172.4	-174.9	0	0	0	0	110.2	I125 T132 Q133 L178 T207 L210 A211 L214	I125-V129 HydrophobicContact CG1-CG2 4.45Å; I125-V129 HydrophobicContact CG2-CB 4.31Å; I125-V129 WeakPolarHBondContact O-CA 3.29Å; I125-V129 WeakPolarHBondContact O-CB 3.44Å; I125-V129 PolarHBondContact O-N 3.34Å; V129-T132 WeakPolarHBondContact O-CB 3.31Å; V129-T132 PolarHBondContact O-N 3.14Å; V129-T132 VanDerWaalsContact O-N 3.17Å; V129-Q133 PolarHBondContact O-N 3Å; V129-L178 HydrophobicContact CG1-CD1 4.39Å; V129-L178 HydrophobicContact CG1-CD2 4.21Å; V129-T207 WeakPolarHBondContact CG2-O 3.49Å; V129-L210 HydrophobicContact CG1-CD2 4.3Å; V129-L210 HydrophobicContact CG1-CG 4.22Å; V129-L210 HydrophobicContact CG2-CB 4.11Å; V129-L210 HydrophobicContact CG2-CD2 4.09Å; V129-L210 HydrophobicContact CG2-CG 4.19Å; V129-A211 HydrophobicContact CG2-CB 4.38Å; V129-L214 HydrophobicContact CG1-CD1 3.6Å
130	L	95	Very high	94.7	Very high	36 Å²	36	29.8 Å²	29.8	19%	0.188	16%	0.159	C	C	.	.	I	π-helix	trans	-69.9	-37.5	-176.6	-65.4	175.9	0	0	0	112.3	I125 T132 Q133 K134 L178	I125-L130 HydrophobicContact CG2-CD1 4.15Å; I125-L130 HydrophobicContact CG2-CG 4.14Å; I125-L130 PolarHBondContact O-N 3.12Å; L130-T132 VanDerWaalsContact C-N 3.31Å; L130-T132 PolarHBondContact O-N 2.91Å; L130-Q133 WeakPolarHBondContact O-CB 3.49Å; L130-Q133 PolarHBondContact O-N 3.24Å; L130-K134 WeakPolarHBondContact O-CG 3.26Å; L130-K134 PolarHBondContact O-N 2.83Å; L130-L178 HydrophobicContact CD2-CD1 3.91Å; L130-L178 HydrophobicContact CD2-CD2 4.08Å; L130-L178 HydrophobicContact CD2-CG 4.5Å; L130-L178 HydrophobicContact CG-CD2 4.36Å
131	A	95	Very high	95	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-41.8	169.8	0	0	0	0	0	112.4	L86 Q126 L127 K134 M135	L86-A131 HydrophobicContact CB-CB 3.8Å; Q126-A131 PolarHBondContact O-N 3.05Å; L127-A131 WeakPolarHBondContact O-CB 3.48Å; A131-K134 PolarHBondContact O-N 3.22Å; A131-M135 WeakPolarHBondContact O-CG 3.46Å; A131-M135 PolarHBondContact O-N 2.96Å
132	T	96.7	Very high	95.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-41.9	177.2	-62.4	0	0	0	0	111.1	H110 N128 V129 L130 K134 M135 L136 V215	H110-T132 PolarHBondContact CD2-OG1 3.46Å; H110-T132 PolarHBondContact NE2-OG1 3.06Å; N128-T132 PolarHBondContact O-OG1 2.8Å; V129-T132 WeakPolarHBondContact O-CB 3.31Å; V129-T132 PolarHBondContact O-N 3.14Å; V129-T132 VanDerWaalsContact O-N 3.17Å; L130-T132 VanDerWaalsContact C-N 3.31Å; L130-T132 PolarHBondContact O-N 2.91Å; T132-K134 PolarHBondContact O-N 2.98Å; T132-M135 WeakPolarHBondContact O-CB 3.24Å; T132-M135 PolarHBondContact O-N 2.94Å; T132-L136 HydrophobicContact CG2-CD1 4.48Å; T132-L136 WeakPolarHBondContact O-CG 3.22Å; T132-L136 PolarHBondContact O-N 2.91Å; T132-V215 HydrophobicContact CG2-CG2 3.43Å; T132-V215 VanDerWaalsContact CG2-CG2 3.43Å
133	Q	96.2	Very high	95.6	Very high	60 Å²	60	35.8 Å²	35.8	28%	0.28	17%	0.174	S	C	.	.	H	α-helix	trans	-56.1	-48.4	172	174.8	168.5	61.4	0	0	112.1	V129 L130 M135 L136 A137 L214 E218	V129-Q133 PolarHBondContact O-N 3Å; L130-Q133 WeakPolarHBondContact O-CB 3.49Å; L130-Q133 PolarHBondContact O-N 3.24Å; Q133-M135 VanDerWaalsContact C-N 3.33Å; Q133-M135 PolarHBondContact O-N 2.72Å; Q133-L136 WeakPolarHBondContact O-CB 3.34Å; Q133-L136 PolarHBondContact O-N 2.83Å; Q133-A137 PolarHBondContact O-N 3.2Å; Q133-L214 HydrophobicContact CB-CD1 3.96Å; Q133-L214 HydrophobicContact CB-CD2 3.81Å; Q133-E218 VanDerWaalsContact CG-OE2 3.28Å; Q133-E218 WeakPolarHBondContact CG-OE2 3.4Å; Q133-E218 VanDerWaalsContact NE2-CD 3.3Å; Q133-E218 PolarHBondContact NE2-OE1 3.03Å; Q133-E218 PolarHBondContact NE2-OE2 2.78Å
134	K	96.6	Very high	95.9	Very high	43 Å²	43	36.5 Å²	36.5	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-38.5	177.2	-68.4	169	-173.1	173.9	0	112.4	V88 L91 L130 A131 T132 A137 L138	V88-K134 PolarHBondContact O-NZ 3.37Å; L91-K134 HydrophobicContact CD1-CB 4.48Å; L91-K134 HydrophobicContact CD2-CB 3.49Å; L91-K134 VanDerWaalsContact CD2-CB 3.49Å; L91-K134 HydrophobicContact CD2-CD 4.05Å; L91-K134 HydrophobicContact CD2-CG 4.43Å; L91-K134 HydrophobicContact CG-CB 3.98Å; L130-K134 WeakPolarHBondContact O-CG 3.26Å; L130-K134 PolarHBondContact O-N 2.83Å; A131-K134 PolarHBondContact O-N 3.22Å; T132-K134 PolarHBondContact O-N 2.98Å; K134-A137 PolarHBondContact O-N 2.89Å; K134-L138 PolarHBondContact O-N 2.78Å
135	M	97.8	Very high	96.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-39.3	174.4	-75	-64	-57.6	0	0	112.3	L14 M43 L86 L91 V108 A131 T132 Q133 L138 A139 F148	L14-M135 HydrophobicContact CD2-CE 4.08Å; M43-M135 HydrophobicContact CE-SD 3.85Å; M43-M135 HydrophobicContact SD-CE 3.9Å; M43-M135 HydrophobicContact SD-SD 3.81Å; L86-M135 HydrophobicContact CD2-SD 4.17Å; L91-M135 HydrophobicContact CD1-CG 4.43Å; L91-M135 HydrophobicContact CD1-SD 3.64Å; L91-M135 HydrophobicContact CD2-CG 4.42Å; L91-M135 HydrophobicContact CD2-SD 4.35Å; V108-M135 HydrophobicContact CG1-CE 3.93Å; A131-M135 WeakPolarHBondContact O-CG 3.46Å; A131-M135 PolarHBondContact O-N 2.96Å; T132-M135 WeakPolarHBondContact O-CB 3.24Å; T132-M135 PolarHBondContact O-N 2.94Å; Q133-M135 VanDerWaalsContact C-N 3.33Å; Q133-M135 PolarHBondContact O-N 2.72Å; M135-L138 PolarHBondContact O-N 2.91Å; M135-A139 VanDerWaalsContact O-CB 3.32Å; M135-A139 WeakPolarHBondContact O-CB 3.12Å; M135-A139 PolarHBondContact O-N 3.1Å; M135-F148 HydrophobicContact CB-CE2 4.11Å; M135-F148 HydrophobicContact CB-CZ 4.03Å
136	L	97.7	Very high	96.3	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-42.9	173.4	-69	169.4	0	0	0	111.3	T132 Q133 L138 A139 H140 F148 L214 V215 E218 L222	T132-L136 HydrophobicContact CG2-CD1 4.48Å; T132-L136 WeakPolarHBondContact O-CG 3.22Å; T132-L136 PolarHBondContact O-N 2.91Å; Q133-L136 WeakPolarHBondContact O-CB 3.34Å; Q133-L136 PolarHBondContact O-N 2.83Å; L136-L138 VanDerWaalsContact C-N 3.31Å; L136-L138 PolarHBondContact O-N 2.88Å; L136-A139 WeakPolarHBondContact O-CB 3.4Å; L136-A139 PolarHBondContact O-N 2.71Å; L136-A139 VanDerWaalsContact O-N 3.09Å; L136-H140 PolarHBondContact O-CD2 3.16Å; L136-H140 PolarHBondContact O-N 3.48Å; L136-F148 HydrophobicContact CD2-CD1 4.18Å; L136-F148 HydrophobicContact CD2-CE1 4Å; L136-F148 HydrophobicContact CD2-CE2 4.4Å; L136-F148 HydrophobicContact CD2-CG 4.49Å; L136-F148 HydrophobicContact CD2-CZ 4.11Å; L136-L214 HydrophobicContact CD1-CD2 3.81Å; L136-V215 HydrophobicContact CD1-CB 4.42Å; L136-V215 HydrophobicContact CD1-CG2 4.03Å; L136-E218 HydrophobicContact CD1-CB 4.18Å; L136-L222 HydrophobicContact CD2-CD1 4.17Å
137	A	97.2	Very high	96.6	Very high	55 Å²	55	35.7 Å²	35.7	46%	0.455	17%	0.172	S	C	.	.	H	α-helix	trans	-60.6	-39.3	176.3	0	0	0	0	0	112.4	Q133 K134	Q133-A137 PolarHBondContact O-N 3.2Å; K134-A137 PolarHBondContact O-N 2.89Å
138	L	97.9	Very high	97	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-65.7	-43.4	171.5	-179.8	64.6	0	0	0	111.4	L91 L93 L101 V102 K134 M135 L136 H140 R141 M142	L91-L138 HydrophobicContact CD1-CB 4.26Å; L91-L138 HydrophobicContact CD1-CD2 3.91Å; L93-L138 HydrophobicContact CD1-CD2 3.83Å; L101-L138 HydrophobicContact CD1-CD2 4.17Å; V102-L138 HydrophobicContact CG2-CD1 4.06Å; K134-L138 PolarHBondContact O-N 2.78Å; M135-L138 PolarHBondContact O-N 2.91Å; L136-L138 VanDerWaalsContact C-N 3.31Å; L136-L138 PolarHBondContact O-N 2.88Å; L138-H140 PolarHBondContact O-N 3.19Å; L138-R141 WeakPolarHBondContact O-CB 3.43Å; L138-R141 PolarHBondContact O-N 2.93Å; L138-R141 VanDerWaalsContact O-N 3.12Å; L138-M142 HydrophobicContact CD2-CE 4.26Å; L138-M142 HydrophobicContact CG-CE 4.13Å
139	A	98	Very high	97.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-38.4	179.7	0	0	0	0	0	113.1	M135 L136 R141 M142 L145 F148 L222	M135-A139 VanDerWaalsContact O-CB 3.32Å; M135-A139 WeakPolarHBondContact O-CB 3.12Å; M135-A139 PolarHBondContact O-N 3.1Å; L136-A139 WeakPolarHBondContact O-CB 3.4Å; L136-A139 PolarHBondContact O-N 2.71Å; L136-A139 VanDerWaalsContact O-N 3.09Å; A139-R141 PolarHBondContact O-N 2.91Å; A139-M142 WeakPolarHBondContact O-CB 3.42Å; A139-M142 PolarHBondContact O-N 3.26Å; A139-L145 HydrophobicContact CB-CD2 3.72Å; A139-F148 HydrophobicContact CB-CD2 3.79Å; A139-F148 HydrophobicContact CB-CE2 4.15Å; A139-L222 HydrophobicContact CB-CD1 3.75Å
140	H	98	Very high	97.4	Very high	93 Å²	93	33.9 Å²	33.9	43%	0.431	16%	0.162	S	C	.	.	H	α-helix	trans	-58	-26.8	174	-83.5	-65.3	0	0	0	113.7	L136 L138 E218 A219	L136-H140 PolarHBondContact O-CD2 3.16Å; L136-H140 PolarHBondContact O-N 3.48Å; L138-H140 PolarHBondContact O-N 3.19Å; H140-E218 PolarHBondContact NE2-O 3.46Å; H140-A219 PolarHBondContact CE1-O 3.45Å; H140-A219 PolarHBondContact NE2-O 2.92Å
141	R	97.8	Very high	97.5	Very high	119 Å²	119	32.6 Å²	32.6	45%	0.449	16%	0.156	S	C	.	.	H	α-helix	trans	-84.9	-17.1	178.3	-64.9	164.6	57.5	-166.6	-5.8	112.3	Q98 V102 L138 A139 K143	Q98-R141 VanDerWaalsContact OE1-NH2 3.15Å; V102-R141 HydrophobicContact CG1-CB 4.46Å; V102-R141 VanDerWaalsContact CG1-O 3.23Å; V102-R141 WeakPolarHBondContact CG1-O 3.33Å; V102-R141 HydrophobicContact CG2-CB 3.67Å; L138-R141 WeakPolarHBondContact O-CB 3.43Å; L138-R141 PolarHBondContact O-N 2.93Å; L138-R141 VanDerWaalsContact O-N 3.12Å; A139-R141 PolarHBondContact O-N 2.91Å; R141-K143 PolarHBondContact O-N 3.46Å
142	M	98.4	Very high	97.7	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.064	16%	0.157	C	C	.	.			trans	-71.4	121.7	-174.5	-69.1	175	171.7	0	0	111.9	L14 L101 V102 I105 V108 L138 A139 H144 L145	L14-M142 HydrophobicContact CD2-CE 3.78Å; L101-M142 HydrophobicContact CB-CE 4.4Å; V102-M142 WeakPolarHBondContact O-CA 3.32Å; I105-M142 HydrophobicContact CB-CE 3.84Å; I105-M142 HydrophobicContact CB-CG 4.49Å; I105-M142 HydrophobicContact CB-SD 3.76Å; I105-M142 HydrophobicContact CG1-CE 3.99Å; I105-M142 HydrophobicContact CG2-CE 3.87Å; I105-M142 HydrophobicContact CG2-SD 3.65Å; V108-M142 HydrophobicContact CG2-CE 3.96Å; V108-M142 HydrophobicContact CG2-SD 3.75Å; L138-M142 HydrophobicContact CD2-CE 4.26Å; L138-M142 HydrophobicContact CG-CE 4.13Å; A139-M142 WeakPolarHBondContact O-CB 3.42Å; A139-M142 PolarHBondContact O-N 3.26Å; M142-H144 VanDerWaalsContact C-N 3.32Å; M142-H144 PolarHBondContact O-N 3Å; M142-L145 HydrophobicContact CB-CB 3.81Å; M142-L145 HydrophobicContact SD-CB 4.48Å; M142-L145 HydrophobicContact SD-CD1 3.94Å; M142-L145 HydrophobicContact SD-CD2 4.39Å; M142-L145 HydrophobicContact SD-CG 4.5Å
143	K	97.8	Very high	97.7	Very high	128 Å²	128	33 Å²	33	56%	0.557	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-22.6	-172.1	-62.4	-174.2	-173.8	168.4	0	114.5	V102 E103 R141	V102-K143 PolarHBondContact O-N 3.05Å; E103-K143 WeakPolarHBondContact OE1-CE 3.4Å; E103-K143 IonicContact OE1-NZ 3.54Å; E103-K143 PolarHBondContact OE1-NZ 3.31Å; E103-K143 WeakPolarHBondContact OE2-CD 3.47Å; E103-K143 VanDerWaalsContact OE2-CE 3.3Å; E103-K143 WeakPolarHBondContact OE2-CE 3.47Å; E103-K143 IonicContact OE2-NZ 3.6Å; E103-K143 PolarHBondContact OE2-NZ 2.89Å; R141-K143 PolarHBondContact O-N 3.46Å
144	H	97.5	Very high	97.7	Very high	102 Å²	102	30.1 Å²	30.1	47%	0.472	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	13.6	-171.5	-57.5	-42.8	0	0	0	113.1	E103 I105 N106 M142 E146	E103-H144 PolarHBondContact O-CD2 3.36Å; I105-H144 CarbonylContact O-C 3.56Å; N106-H144 WeakPolarHBondContact CA-O 3.35Å; N106-H144 WeakPolarHBondContact ND2-CB 3.14Å; N106-H144 PolarHBondContact ND2-O 3.35Å; M142-H144 VanDerWaalsContact C-N 3.32Å; M142-H144 PolarHBondContact O-N 3Å; H144-E146 PolarHBondContact O-N 2.85Å
145	L	97.8	Very high	97.7	Very high	33 Å²	33	28.6 Å²	28.6	17%	0.173	14%	0.138	C	C	.	.			trans	-65.6	123.5	-177.8	-172.5	68.8	0	0	0	110.6	I105 V108 A139 M142 V147 F148 L222	I105-L145 HydrophobicContact CG2-CD1 4.33Å; I105-L145 PolarHBondContact O-N 2.97Å; V108-L145 HydrophobicContact CB-CD1 4.36Å; V108-L145 HydrophobicContact CG2-CD1 3.61Å; A139-L145 HydrophobicContact CB-CD2 3.72Å; M142-L145 HydrophobicContact CB-CB 3.81Å; M142-L145 HydrophobicContact SD-CB 4.48Å; M142-L145 HydrophobicContact SD-CD1 3.94Å; M142-L145 HydrophobicContact SD-CD2 4.39Å; M142-L145 HydrophobicContact SD-CG 4.5Å; L145-V147 WeakPolarHBondContact CD1-O 3.3Å; L145-F148 HydrophobicContact CD2-CB 4.37Å; L145-L222 HydrophobicContact CD2-CD2 3.82Å
146	E	96.6	Very high	97.5	Very high	15 Å²	15	28.5 Å²	28.5	7%	0.07	14%	0.138	C	C	.	.			trans	-98.6	-34.7	177.1	-56.6	-174.7	177.3	0	0	112.5	Y7 K11 N106 H144 N223 R296	Y7-E146 WeakPolarHBondContact CE2-OE2 3.35Å; Y7-E146 VanDerWaalsContact CZ-OE2 3.24Å; Y7-E146 PolarHBondContact OH-OE2 3.4Å; K11-E146 WeakPolarHBondContact CE-OE1 3.3Å; K11-E146 WeakPolarHBondContact CE-OE2 3.18Å; K11-E146 VanDerWaalsContact NZ-CD 3.27Å; K11-E146 IonicContact NZ-OE1 3.22Å; K11-E146 PolarHBondContact NZ-OE1 3.23Å; K11-E146 VanDerWaalsContact NZ-OE1 3.09Å; K11-E146 IonicContact NZ-OE2 3.19Å; K11-E146 PolarHBondContact NZ-OE2 3.29Å; N106-E146 HydrophobicContact CB-CG 4.45Å; N106-E146 WeakPolarHBondContact O-CB 3.45Å; N106-E146 PolarHBondContact O-N 3.36Å; H144-E146 PolarHBondContact O-N 2.85Å; E146-N223 VanDerWaalsContact O-CB 3.25Å; E146-N223 WeakPolarHBondContact O-CB 3.32Å; E146-N223 PolarHBondContact O-ND2 3.13Å; E146-R296 VanDerWaalsContact CG-NH2 3.32Å; E146-R296 IonicContact OE1-CZ 3.69Å; E146-R296 IonicContact OE1-NH2 2.63Å; E146-R296 PolarHBondContact OE1-NH2 3.11Å
147	V	97.3	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	139.9	-177.1	66.8	0	0	0	0	111.7	I107 V108 L145 I149 N223 A289	I107-V147 HydrophobicContact CB-CG1 4.4Å; I107-V147 HydrophobicContact CG1-CG1 4.16Å; I107-V147 HydrophobicContact CG2-CG1 3.9Å; V108-V147 PolarHBondContact N-O 3.19Å; L145-V147 WeakPolarHBondContact CD1-O 3.3Å; V147-I149 HydrophobicContact CG2-CD1 3.64Å; V147-I149 HydrophobicContact CG2-CG1 4.26Å; V147-N223 CarbonylContact C-O 3.53Å; V147-N223 VanDerWaalsContact CA-O 3.31Å; V147-N223 WeakPolarHBondContact CA-O 3.25Å; V147-A289 HydrophobicContact CG1-CB 4.11Å
148	F	98.3	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.9	169.3	-176.8	-77.1	0	0	0	109.1	V108 H110 M135 L136 A139 L145 H150 N223 V224 A225	V108-F148 HydrophobicContact CB-CD2 3.62Å; V108-F148 HydrophobicContact CB-CE2 4.15Å; V108-F148 HydrophobicContact CB-CG 4.26Å; V108-F148 HydrophobicContact CG1-CD2 3.52Å; V108-F148 HydrophobicContact CG1-CE2 3.5Å; V108-F148 VanDerWaalsContact CG1-CE2 3.5Å; V108-F148 HydrophobicContact CG1-CG 4.36Å; V108-F148 HydrophobicContact CG1-CZ 4.32Å; V108-F148 HydrophobicContact CG2-CD2 4.14Å; H110-F148 HydrophobicContact CB-CE1 4Å; H110-F148 HydrophobicContact CB-CE2 4.44Å; H110-F148 HydrophobicContact CB-CZ 3.67Å; M135-F148 HydrophobicContact CB-CE2 4.11Å; M135-F148 HydrophobicContact CB-CZ 4.03Å; L136-F148 HydrophobicContact CD2-CD1 4.18Å; L136-F148 HydrophobicContact CD2-CE1 4Å; L136-F148 HydrophobicContact CD2-CE2 4.4Å; L136-F148 HydrophobicContact CD2-CG 4.49Å; L136-F148 HydrophobicContact CD2-CZ 4.11Å; A139-F148 HydrophobicContact CB-CD2 3.79Å; A139-F148 HydrophobicContact CB-CE2 4.15Å; L145-F148 HydrophobicContact CD2-CB 4.37Å; F148-H150 HydrophobicContact CE1-CB 4.15Å; F148-N223 PolarHBondContact N-O 3.5Å; F148-V224 HydrophobicContact CB-CG2 4.23Å; F148-V224 HydrophobicContact CD1-CG1 4.24Å; F148-V224 VanDerWaalsContact O-CA 3.3Å; F148-V224 WeakPolarHBondContact O-CA 3.38Å; F148-A225 PolarHBondContact O-N 3.41Å; F148-A225 VanDerWaalsContact O-N 3.1Å
149	I	98.6	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.2	176.3	-57.6	-57.4	0	0	0	109.5	V108 F109 H110 V147 A225 V227 T285 A289	V108-I149 PolarHBondContact O-N 3.31Å; F109-I149 HydrophobicContact CD1-CB 3.72Å; F109-I149 HydrophobicContact CD1-CG1 3.91Å; F109-I149 HydrophobicContact CD1-CG2 4.07Å; F109-I149 HydrophobicContact CE1-CB 4.11Å; F109-I149 HydrophobicContact CE1-CG1 3.77Å; F109-I149 HydrophobicContact CE1-CG2 4.46Å; H110-I149 PolarHBondContact N-O 2.69Å; V147-I149 HydrophobicContact CG2-CD1 3.64Å; V147-I149 HydrophobicContact CG2-CG1 4.26Å; I149-A225 WeakPolarHBondContact CA-O 3.23Å; I149-A225 HydrophobicContact CD1-CB 3.73Å; I149-V227 HydrophobicContact CG2-CG2 3.97Å; I149-T285 HydrophobicContact CG2-CG2 4.03Å; I149-A289 HydrophobicContact CD1-CB 4.12Å; I149-A289 HydrophobicContact CG1-CB 3.8Å
150	H	98.6	Very high	96.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.8	171.5	-178.5	63.7	0	0	0	110.6	H110 F148 A225 I226 V227	H110-H150 AromaticContact CD2-ND1 3.5Å; F148-H150 HydrophobicContact CE1-CB 4.15Å; H150-A225 PolarHBondContact N-O 2.93Å; H150-I226 HydrophobicContact CB-CG1 4.27Å; H150-I226 WeakPolarHBondContact O-CA 3.39Å; H150-V227 PolarHBondContact O-N 3Å
151	V	98.3	Very high	96.6	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111.9	173.3	-176.4	0	0	0	0	109.9	M22 H110 C111 K208 P229	M22-V151 HydrophobicContact CE-CG1 3.98Å; H110-V151 PolarHBondContact O-N 2.84Å; C111-V151 HydrophobicContact CB-CG2 4.31Å; C111-V151 VanDerWaalsContact SG-CG2 3.57Å; V151-K208 PolarHBondContact O-NZ 2.78Å; V151-P229 HydrophobicContact CG1-CG 4.17Å
152	S	97.9	Very high	96.6	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	16%	0.163	C	C	.	.			trans	-102.6	-139.3	174.2	-171.1	0	0	0	0	110.4	E212 V227 P229	S152-E212 WeakPolarHBondContact CB-OE1 3.02Å; S152-E212 WeakPolarHBondContact OG-CG 3.47Å; S152-E212 PolarHBondContact OG-OE1 3.31Å; S152-V227 PolarHBondContact N-O 3.48Å; S152-P229 WeakPolarHBondContact O-CD 3.23Å
153	T	97	Very high	96.5	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.037	16%	0.16	C	C	.	.			trans	-153.2	145.6	175.6	-179	0	0	0	0	109.7	Y155 A156 Y204 K208 P229	T153-Y155 PolarHBondContact O-N 2.87Å; T153-Y155 VanDerWaalsContact O-N 3.16Å; T153-Y155 PolarHBondContact OG1-N 3.45Å; T153-A156 HydrophobicContact CG2-CB 4.16Å; T153-A156 WeakPolarHBondContact O-CB 3.33Å; T153-A156 PolarHBondContact O-N 3.17Å; T153-A156 VanDerWaalsContact O-N 3.13Å; T153-Y204 HydrophobicContact CG2-CE1 3.78Å; T153-K208 HydrophobicContact CG2-CB 3.9Å; T153-K208 HydrophobicContact CG2-CG 3.91Å; T153-P229 CarbonylContact C-O 3.54Å; T153-P229 WeakPolarHBondContact CA-O 3.36Å; T153-P229 PolarHBondContact OG1-O 2.9Å
154	A	96.8	Very high	96.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-55.6	-32.3	173.8	0	0	0	0	0	111.1	A156 P229 T309 W404	A154-A156 VanDerWaalsContact C-N 3.26Å; A154-A156 PolarHBondContact O-N 3.29Å; A154-P229 PolarHBondContact N-O 2.71Å; A154-T309 HydrophobicContact CB-CG2 3.68Å; A154-W404 HydrophobicContact CB-CD2 4.45Å; A154-W404 HydrophobicContact CB-CE3 4.07Å; A154-W404 HydrophobicContact CB-CH2 4Å; A154-W404 HydrophobicContact CB-CZ2 4.31Å; A154-W404 HydrophobicContact CB-CZ3 3.86Å; A154-W404 WeakPolarHBondContact O-CH2 3.37Å; A154-W404 WeakPolarHBondContact O-CZ3 3.49Å
155	Y	95.6	Very high	96.4	Very high	11 Å²	11	28.1 Å²	28.1	4%	0.043	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-78.9	4.2	-178.1	-59.9	-73.4	0	0	0	115.4	T153 H157 C158 T205 I231 D274 F397 W402 W404	T153-Y155 PolarHBondContact O-N 2.87Å; T153-Y155 VanDerWaalsContact O-N 3.16Å; T153-Y155 PolarHBondContact OG1-N 3.45Å; Y155-H157 PolarHBondContact O-N 2.94Å; Y155-C158 HydrophobicContact CD1-CB 4.13Å; Y155-C158 WeakPolarHBondContact O-CB 3.2Å; Y155-C158 PolarHBondContact O-N 3.44Å; Y155-C158 PolarHBondContact O-SG 3Å; Y155-T205 WeakPolarHBondContact O-CB 3.06Å; Y155-T205 VanDerWaalsContact O-CG2 3.26Å; Y155-T205 WeakPolarHBondContact O-CG2 3.25Å; Y155-I231 HydrophobicContact CE2-CG1 3.67Å; Y155-I231 WeakPolarHBondContact OH-CG1 3.42Å; Y155-D274 WeakPolarHBondContact OH-CB 3.38Å; Y155-F397 AromaticContact CD1-CD1 3.49Å; Y155-F397 HydrophobicContact CD1-CD1 3.49Å; Y155-F397 VanDerWaalsContact CD1-CD1 3.49Å; Y155-F397 AromaticContact CD1-CE1 3.52Å; Y155-F397 HydrophobicContact CD1-CE1 3.52Å; Y155-F397 HydrophobicContact CD2-CE1 4.46Å; Y155-F397 AromaticContact CE1-CD1 3.65Å; Y155-F397 HydrophobicContact CE1-CD1 3.65Å; Y155-F397 HydrophobicContact CE1-CE1 4.18Å; Y155-F397 AromaticContact CG-CD1 3.97Å; Y155-F397 HydrophobicContact CG-CD1 3.97Å; Y155-F397 AromaticContact CG-CE1 3.68Å; Y155-F397 HydrophobicContact CG-CE1 3.68Å; Y155-W402 HydrophobicContact CD1-CE3 4.45Å; Y155-W402 HydrophobicContact CD1-CH2 4.47Å; Y155-W402 HydrophobicContact CD1-CZ3 4.38Å; Y155-W402 HydrophobicContact CE1-CD2 4.35Å; Y155-W402 AromaticContact CE1-CE3 3.77Å; Y155-W402 HydrophobicContact CE1-CE3 3.77Å; Y155-W402 HydrophobicContact CE1-CH2 4.16Å; Y155-W402 AromaticContact CE1-CZ3 3.67Å; Y155-W402 HydrophobicContact CE1-CZ3 3.67Å; Y155-W404 HydrophobicContact CD1-CH2 4.05Å; Y155-W404 HydrophobicContact CD1-CZ2 4.24Å; Y155-W404 HydrophobicContact CE1-CH2 4.21Å; Y155-W404 AromaticContact CE1-CZ2 3.93Å; Y155-W404 HydrophobicContact CE1-CZ2 3.93Å
156	A	95.4	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-57.3	-36	178.5	0	0	0	0	0	111.4	T153 A154 R200 K208 A209	T153-A156 HydrophobicContact CG2-CB 4.16Å; T153-A156 WeakPolarHBondContact O-CB 3.33Å; T153-A156 PolarHBondContact O-N 3.17Å; T153-A156 VanDerWaalsContact O-N 3.13Å; A154-A156 VanDerWaalsContact C-N 3.26Å; A154-A156 PolarHBondContact O-N 3.29Å; A156-R200 PolarHBondContact O-NE 3.48Å; A156-K208 HydrophobicContact CB-CB 4.15Å; A156-A209 HydrophobicContact CB-CB 4.18Å; A156-A209 WeakPolarHBondContact O-CB 3.36Å
157	H	95.2	Very high	96.3	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.023	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-116.2	36.6	179.7	-58.8	-74.7	0	0	0	112.3	Y155 D159 R160 I163 Y168 E212	Y155-H157 PolarHBondContact O-N 2.94Å; H157-D159 VanDerWaalsContact CA-OD1 3.24Å; H157-D159 WeakPolarHBondContact CA-OD1 3.49Å; H157-D159 PolarHBondContact O-N 3.35Å; H157-D159 VanDerWaalsContact O-N 3.17Å; H157-R160 WeakPolarHBondContact O-CB 3.45Å; H157-R160 PolarHBondContact O-N 2.85Å; H157-R160 VanDerWaalsContact O-N 3.08Å; H157-I163 HydrophobicContact CB-CG1 4.41Å; H157-I163 HydrophobicContact CB-CG2 4.48Å; H157-I163 WeakPolarHBondContact O-CG1 3.35Å; H157-Y168 HydrophobicContact CB-CD2 4.19Å; H157-Y168 HydrophobicContact CB-CE2 4.4Å; H157-Y168 AromaticContact CD2-CD2 3.54Å; H157-Y168 AromaticContact CE1-CD2 3.86Å; H157-Y168 AromaticContact CG-CD2 3.56Å; H157-Y168 AromaticContact ND1-CD2 3.77Å; H157-Y168 AromaticContact NE2-CD2 3.72Å; H157-E212 IonicContact NE2-OE2 2.8Å
158	C	94.4	Very high	96.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.014	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.4	178.8	62.1	0	0	0	0	114.6	Y155 R160 P201 Y396 W402	Y155-C158 HydrophobicContact CD1-CB 4.13Å; Y155-C158 WeakPolarHBondContact O-CB 3.2Å; Y155-C158 PolarHBondContact O-N 3.44Å; Y155-C158 PolarHBondContact O-SG 3Å; C158-R160 PolarHBondContact O-N 3.06Å; C158-P201 VanDerWaalsContact SG-CD 3.54Å; C158-Y396 HydrophobicContact CB-CE1 4.12Å; C158-Y396 PolarHBondContact O-OH 3.06Å; C158-W402 HydrophobicContact CB-CZ2 3.95Å; C158-W402 PolarHBondContact O-NE1 3.34Å
159	D	93.6	Very high	95.9	Very high	43 Å²	43	34.7 Å²	34.7	23%	0.23	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-2.1	166.7	59.2	-46	0	0	0	113.3	H157 E199 R200	H157-D159 VanDerWaalsContact CA-OD1 3.24Å; H157-D159 WeakPolarHBondContact CA-OD1 3.49Å; H157-D159 PolarHBondContact O-N 3.35Å; H157-D159 VanDerWaalsContact O-N 3.17Å; D159-E199 HydrophobicContact CB-CB 4.35Å; D159-R200 HydrophobicContact CB-CG 4.21Å; D159-R200 VanDerWaalsContact CG-NH1 3.32Å; D159-R200 IonicContact OD1-CZ 3.87Å; D159-R200 VanDerWaalsContact OD1-CZ 3.28Å; D159-R200 IonicContact OD1-NE 2.77Å; D159-R200 IonicContact OD1-NH1 2.78Å; D159-R200 IonicContact OD1-NH2 3.08Å; D159-R200 PolarHBondContact OD1-NH2 2.81Å; D159-R200 IonicContact OD2-CZ 2.72Å; D159-R200 IonicContact OD2-NH1 3.14Å; D159-R200 PolarHBondContact OD2-NH1 2.75Å; D159-R200 IonicContact OD2-NH2 2.72Å; D159-R200 PolarHBondContact OD2-NH2 2.95Å
160	R	94.3	Very high	95.5	Very high	110 Å²	110	36.2 Å²	36.2	42%	0.415	19%	0.187	S	C	.	.	S	Bend	trans	-114.5	151.9	174.8	-59.7	175.7	176.8	-95.6	-3.4	109.9	H157 C158 I163 W402	H157-R160 WeakPolarHBondContact O-CB 3.45Å; H157-R160 PolarHBondContact O-N 2.85Å; H157-R160 VanDerWaalsContact O-N 3.08Å; C158-R160 PolarHBondContact O-N 3.06Å; R160-I163 HydrophobicContact CB-CG1 4.41Å; R160-I163 WeakPolarHBondContact O-CD1 3.47Å; R160-W402 PolarHBondContact O-NE1 2.84Å
161	E	92.5	Very high	94.7	Very high	164 Å²	164	41.4 Å²	41.4	77%	0.766	22%	0.221	S	C	*	.	S	Bend	trans	-78.6	-42.3	174	-64.5	-175.1	167.4	0	0	112.3	V403	E161-V403 PolarHBondContact O-N 2.98Å
162	V	96.3	Very high	94	Very high	80 Å²	80	44.4 Å²	44.4	49%	0.485	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.7	176.8	-174.9	0	0	0	0	108.9	V403	V162-V403 WeakPolarHBondContact CA-O 3.43Å; V162-V403 HydrophobicContact CG2-CB 4.26Å
163	I	96.7	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111.7	179.3	-59.7	86.3	0	0	0	108.7	H157 R160 Y168 N307 W402 V403 W404 N405	H157-I163 HydrophobicContact CB-CG1 4.41Å; H157-I163 HydrophobicContact CB-CG2 4.48Å; H157-I163 WeakPolarHBondContact O-CG1 3.35Å; R160-I163 HydrophobicContact CB-CG1 4.41Å; R160-I163 WeakPolarHBondContact O-CD1 3.47Å; I163-Y168 HydrophobicContact CG2-CE2 4.4Å; I163-N307 PolarHBondContact O-ND2 2.97Å; I163-W402 HydrophobicContact CD1-CB 3.95Å; I163-W402 HydrophobicContact CD1-CG 4.03Å; I163-V403 PolarHBondContact N-O 3.38Å; I163-W404 HydrophobicContact CB-CE3 3.6Å; I163-W404 HydrophobicContact CB-CZ3 3.67Å; I163-W404 HydrophobicContact CD1-CE3 3.83Å; I163-W404 HydrophobicContact CD1-CH2 3.94Å; I163-W404 HydrophobicContact CD1-CZ3 3.39Å; I163-W404 HydrophobicContact CG1-CE3 3.98Å; I163-W404 HydrophobicContact CG1-CH2 4.43Å; I163-W404 HydrophobicContact CG1-CZ3 3.53Å; I163-W404 HydrophobicContact CG2-CE3 4.02Å; I163-W404 HydrophobicContact CG2-CZ3 3.98Å; I163-N405 PolarHBondContact O-N 2.91Å
164	E	97	Very high	93.1	Very high	96 Å²	96	48.2 Å²	48.2	45%	0.449	26%	0.258	S	S	.	.			trans	-86.2	165.4	177.3	-54.8	172.5	151.5	0	0	110.9	V166 Y168 R228	E164-V166 HydrophobicContact CB-CG2 4.12Å; E164-V166 PolarHBondContact O-N 3.46Å; E164-Y168 WeakPolarHBondContact CA-OH 3.36Å; E164-Y168 VanDerWaalsContact CB-OH 3.26Å; E164-Y168 WeakPolarHBondContact CB-OH 3.42Å; E164-Y168 PolarHBondContact N-OH 3.38Å; E164-R228 PolarHBondContact O-NH1 2.8Å
165	E	96.8	Very high	92.8	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.061	28%	0.283	C	S	.	.	S	Bend	trans	-83.4	53.4	176.2	-74.5	179.4	137.2	0	0	111.8	V305 Y306 N307 N405 D407 N408	E165-V305 HydrophobicContact CB-CB 4.23Å; E165-V305 VanDerWaalsContact CB-O 3.29Å; E165-V305 WeakPolarHBondContact CB-O 3.32Å; E165-V305 WeakPolarHBondContact CG-O 3.33Å; E165-Y306 WeakPolarHBondContact OE1-CA 3.42Å; E165-N307 HydrophobicContact CG-CB 4.01Å; E165-N307 WeakPolarHBondContact CG-ND2 3.31Å; E165-N307 PolarHBondContact OE1-N 3.12Å; E165-N405 WeakPolarHBondContact CG-O 3.39Å; E165-D407 PolarHBondContact OE2-N 3.38Å; E165-D407 VanDerWaalsContact OE2-N 3.08Å; E165-N408 WeakPolarHBondContact CB-ND2 3.43Å; E165-N408 WeakPolarHBondContact OE2-CA 3.47Å; E165-N408 WeakPolarHBondContact OE2-CB 3.46Å; E165-N408 PolarHBondContact OE2-N 3.28Å
166	V	96.3	Very high	92.6	Very high	62 Å²	62	61.1 Å²	61.1	38%	0.376	31%	0.311	S	S	.	.	S	Bend	trans	-132	156.5	175.8	-56.8	0	0	0	0	110.2	E164 Y168 R228	E164-V166 HydrophobicContact CB-CG2 4.12Å; E164-V166 PolarHBondContact O-N 3.46Å; V166-Y168 HydrophobicContact CG2-CD1 4.27Å; V166-Y168 HydrophobicContact CG2-CD2 4.47Å; V166-Y168 HydrophobicContact CG2-CE1 3.76Å; V166-Y168 HydrophobicContact CG2-CE2 4.01Å; V166-R228 PolarHBondContact O-NH1 3.41Å; V166-R228 PolarHBondContact O-NH2 2.6Å
167	V	96.1	Very high	92.3	Very high	14 Å²	14	61.5 Å²	61.5	9%	0.085	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-84.1	126.8	171.2	179.5	0	0	0	0	108.9	E212 Y213 Q216 I226 V305	V167-E212 HydrophobicContact CG1-CB 4.18Å; V167-Y213 HydrophobicContact CG1-CD2 4.36Å; V167-Q216 HydrophobicContact CB-CB 4.39Å; V167-Q216 HydrophobicContact CG1-CB 4.01Å; V167-Q216 HydrophobicContact CG2-CB 4.47Å; V167-I226 HydrophobicContact CG2-CD1 3.6Å; V167-V305 HydrophobicContact CG2-CG2 3.97Å
168	Y	94.6	Very high	92.1	Very high	23 Å²	23	62.2 Å²	62.2	9%	0.09	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-94.7	139.9	179.5	-60.9	-85.5	0	0	0	111.4	H157 I163 E164 V166	H157-Y168 HydrophobicContact CB-CD2 4.19Å; H157-Y168 HydrophobicContact CB-CE2 4.4Å; H157-Y168 AromaticContact CD2-CD2 3.54Å; H157-Y168 AromaticContact CE1-CD2 3.86Å; H157-Y168 AromaticContact CG-CD2 3.56Å; H157-Y168 AromaticContact ND1-CD2 3.77Å; H157-Y168 AromaticContact NE2-CD2 3.72Å; I163-Y168 HydrophobicContact CG2-CE2 4.4Å; E164-Y168 WeakPolarHBondContact CA-OH 3.36Å; E164-Y168 VanDerWaalsContact CB-OH 3.26Å; E164-Y168 WeakPolarHBondContact CB-OH 3.42Å; E164-Y168 PolarHBondContact N-OH 3.38Å; V166-Y168 HydrophobicContact CG2-CD1 4.27Å; V166-Y168 HydrophobicContact CG2-CD2 4.47Å; V166-Y168 HydrophobicContact CG2-CE1 3.76Å; V166-Y168 HydrophobicContact CG2-CE2 4.01Å
169	P	92.1	Very high	91.9	Very high	87 Å²	87	67.4 Å²	67.4	57%	0.565	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-68.7	140.3	174.7	28.3	-33.7	0	0	0	111.5	Y213	P169-Y213 HydrophobicContact CB-CD2 4.36Å; P169-Y213 HydrophobicContact CB-CE2 3.79Å
170	P	90.1	Very high	91.7	Very high	32 Å²	32	67.8 Å²	67.8	21%	0.208	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-71.6	156.2	173.2	30.7	-35.4	0	0	0	110.5	V172 L210 Y213	P170-V172 WeakPolarHBondContact CG-O 3.36Å; P170-V172 PolarHBondContact O-N 2.86Å; P170-L210 HydrophobicContact CB-CD1 4.34Å; P170-L210 HydrophobicContact CG-CD1 4.36Å; P170-Y213 HydrophobicContact CG-CD1 3.57Å; P170-Y213 HydrophobicContact CG-CE1 3.87Å; P170-Y213 HydrophobicContact CG-CG 3.91Å
171	P	81.4	Confident	91.5	Very high	110 Å²	110	62.9 Å²	62.9	71%	0.714	33%	0.33	S	S	*	.	S	Bend	trans	-68.3	-18.5	178.6	28.3	-35.3	0	0	0	113.3
172	V	82.9	Confident	91.2	Very high	72 Å²	72	61.8 Å²	61.8	44%	0.436	33%	0.33	S	S	.	.	S	Bend	trans	-125.9	144.7	-178.8	-175.5	0	0	0	0	109.1	P170 Y174	P170-V172 WeakPolarHBondContact CG-O 3.36Å; P170-V172 PolarHBondContact O-N 2.86Å; V172-Y174 PolarHBondContact O-N 3.36Å; V172-Y174 VanDerWaalsContact O-N 3.16Å
173	N	88.4	Confident	90.8	Very high	84 Å²	84	66.3 Å²	66.3	45%	0.449	34%	0.338	S	S	.	.			trans	-58.2	119.5	173.6	-177.6	-73.8	0	0	0	110.5	R175 K176 L177	N173-R175 VanDerWaalsContact C-N 3.33Å; N173-R175 PolarHBondContact O-N 2.86Å; N173-R175 WeakPolarHBondContact OD1-CB 3.44Å; N173-R175 PolarHBondContact OD1-N 3.48Å; N173-K176 HydrophobicContact CB-CB 4.34Å; N173-K176 HydrophobicContact CB-CD 4.3Å; N173-K176 HydrophobicContact CB-CG 4.27Å; N173-K176 PolarHBondContact O-N 3.43Å; N173-K176 PolarHBondContact OD1-N 2.92Å; N173-L177 PolarHBondContact O-N 3.23Å; N173-L177 VanDerWaalsContact O-N 3.08Å
174	Y	88.9	Confident	90.5	Very high	5 Å²	5	67.3 Å²	67.3	2%	0.02	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-36	-173	80.5	-81.5	0	0	0	113.1	V172 L177 L178 L210 Y213 L214 Q217 E218	V172-Y174 PolarHBondContact O-N 3.36Å; V172-Y174 VanDerWaalsContact O-N 3.16Å; Y174-L177 WeakPolarHBondContact O-CB 3.46Å; Y174-L177 PolarHBondContact O-N 2.96Å; Y174-L178 HydrophobicContact CD2-CD1 3.95Å; Y174-L178 HydrophobicContact CE2-CD1 4.43Å; Y174-L178 VanDerWaalsContact O-CG 3.28Å; Y174-L178 WeakPolarHBondContact O-CG 3.38Å; Y174-L178 PolarHBondContact O-N 2.84Å; Y174-L210 VanDerWaalsContact CB-CD1 3.5Å; Y174-Y213 AromaticContact CD1-CD1 3.89Å; Y174-Y213 HydrophobicContact CD1-CD1 3.89Å; Y174-Y213 AromaticContact CD1-CE1 3.8Å; Y174-Y213 HydrophobicContact CD1-CE1 3.8Å; Y174-Y213 HydrophobicContact CE1-CE1 4.34Å; Y174-Y213 HydrophobicContact CG-CD1 4.43Å; Y174-L214 HydrophobicContact CD2-CB 4.42Å; Y174-L214 HydrophobicContact CD2-CD1 4Å; Y174-L214 HydrophobicContact CD2-CG 4.35Å; Y174-L214 HydrophobicContact CE2-CB 4.37Å; Y174-L214 HydrophobicContact CE2-CD1 3.78Å; Y174-L214 HydrophobicContact CE2-CG 3.92Å; Y174-Q217 HydrophobicContact CE1-CB 4.06Å; Y174-Q217 HydrophobicContact CE1-CG 3.99Å; Y174-E218 VanDerWaalsContact CE2-OE1 3.28Å; Y174-E218 WeakPolarHBondContact CE2-OE1 3.23Å; Y174-E218 VanDerWaalsContact CZ-OE1 3.32Å; Y174-E218 WeakPolarHBondContact OH-CG 3.27Å; Y174-E218 PolarHBondContact OH-OE1 2.74Å
175	R	90.1	Very high	90.3	Very high	136 Å²	136	67.2 Å²	67.2	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-49.8	179.4	-62.1	-176	-173.5	148	3.9	111.1	N173 L177 L178 D179	N173-R175 VanDerWaalsContact C-N 3.33Å; N173-R175 PolarHBondContact O-N 2.86Å; N173-R175 WeakPolarHBondContact OD1-CB 3.44Å; N173-R175 PolarHBondContact OD1-N 3.48Å; R175-L177 PolarHBondContact O-N 2.94Å; R175-L178 PolarHBondContact O-N 2.87Å; R175-L178 VanDerWaalsContact O-N 3.09Å; R175-D179 PolarHBondContact O-N 2.9Å
176	K	90.5	Very high	90.1	Very high	145 Å²	145	71.8 Å²	71.8	63%	0.63	37%	0.371	S	S	*	.	H	α-helix	trans	-57.9	-37.7	175.9	-66.2	-173.2	178.4	-176	0	112	N173 T180	N173-K176 HydrophobicContact CB-CB 4.34Å; N173-K176 HydrophobicContact CB-CD 4.3Å; N173-K176 HydrophobicContact CB-CG 4.27Å; N173-K176 PolarHBondContact O-N 3.43Å; N173-K176 PolarHBondContact OD1-N 2.92Å; K176-T180 VanDerWaalsContact O-CB 3.27Å; K176-T180 WeakPolarHBondContact O-CB 3.47Å; K176-T180 PolarHBondContact O-N 2.96Å; K176-T180 PolarHBondContact O-OG1 3.49Å
177	L	90.3	Very high	89.9	Confident	8 Å²	8	75 Å²	75	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-64.4	-48.3	175.8	177	67.3	0	0	0	111.4	N173 Y174 R175 T180 L181 L196 Y206 L210	N173-L177 PolarHBondContact O-N 3.23Å; N173-L177 VanDerWaalsContact O-N 3.08Å; Y174-L177 WeakPolarHBondContact O-CB 3.46Å; Y174-L177 PolarHBondContact O-N 2.96Å; R175-L177 PolarHBondContact O-N 2.94Å; L177-T180 PolarHBondContact O-N 3.3Å; L177-L181 HydrophobicContact CD1-CD1 3.73Å; L177-L181 HydrophobicContact CD1-CG 4.08Å; L177-L181 HydrophobicContact CG-CD1 3.84Å; L177-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 WeakPolarHBondContact O-CB 3.03Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.41Å; L177-L181 PolarHBondContact O-N 2.9Å; L177-L196 HydrophobicContact CD1-CD1 4.25Å; L177-L196 HydrophobicContact CD1-CD2 3.83Å; L177-Y206 HydrophobicContact CD2-CE1 4.29Å; L177-Y206 WeakPolarHBondContact CD2-OH 3.24Å; L177-L210 HydrophobicContact CD2-CD2 3.76Å
178	L	91.1	Very high	89.8	Confident	21 Å²	21	77.3 Å²	77.3	11%	0.11	40%	0.397	C	S	.	.	H	α-helix	trans	-60.7	-48.3	178.1	-67.4	174.5	0	0	0	111.1	I125 V129 L130 Y174 R175 T180 L181 D182 L214	I125-L178 HydrophobicContact CG2-CD2 3.43Å; I125-L178 VanDerWaalsContact CG2-CD2 3.43Å; V129-L178 HydrophobicContact CG1-CD1 4.39Å; V129-L178 HydrophobicContact CG1-CD2 4.21Å; L130-L178 HydrophobicContact CD2-CD1 3.91Å; L130-L178 HydrophobicContact CD2-CD2 4.08Å; L130-L178 HydrophobicContact CD2-CG 4.5Å; L130-L178 HydrophobicContact CG-CD2 4.36Å; Y174-L178 HydrophobicContact CD2-CD1 3.95Å; Y174-L178 HydrophobicContact CE2-CD1 4.43Å; Y174-L178 VanDerWaalsContact O-CG 3.28Å; Y174-L178 WeakPolarHBondContact O-CG 3.38Å; Y174-L178 PolarHBondContact O-N 2.84Å; R175-L178 PolarHBondContact O-N 2.87Å; R175-L178 VanDerWaalsContact O-N 3.09Å; L178-T180 PolarHBondContact O-N 3.38Å; L178-L181 PolarHBondContact O-N 2.72Å; L178-D182 PolarHBondContact O-N 2.94Å; L178-L214 HydrophobicContact CD1-CD1 4.42Å
179	D	90.7	Very high	89.7	Confident	110 Å²	110	76.4 Å²	76.4	59%	0.588	39%	0.394	S	S	*	.	H	α-helix	trans	-57.1	-40.8	176.4	-61.6	-22	0	0	0	111	R175	R175-D179 PolarHBondContact O-N 2.9Å
180	T	89.1	Confident	89.7	Confident	51 Å²	51	75.2 Å²	75.2	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-67.6	-42.9	179.8	-59.4	0	0	0	0	111.9	K176 L177 L178 D182 W183 M184	K176-T180 VanDerWaalsContact O-CB 3.27Å; K176-T180 WeakPolarHBondContact O-CB 3.47Å; K176-T180 PolarHBondContact O-N 2.96Å; K176-T180 PolarHBondContact O-OG1 3.49Å; L177-T180 PolarHBondContact O-N 3.3Å; L178-T180 PolarHBondContact O-N 3.38Å; T180-D182 VanDerWaalsContact C-N 3.31Å; T180-D182 PolarHBondContact O-N 2.91Å; T180-W183 HydrophobicContact CG2-CZ2 4.17Å; T180-W183 PolarHBondContact O-NE1 3.14Å; T180-M184 HydrophobicContact CG2-CE 3.31Å; T180-M184 HydrophobicContact CG2-CG 4.47Å; T180-M184 HydrophobicContact CG2-SD 3.79Å; T180-M184 VanDerWaalsContact O-CG 3.22Å; T180-M184 WeakPolarHBondContact O-CG 3.43Å; T180-M184 PolarHBondContact O-N 3.27Å
181	L	88.9	Confident	89.9	Confident	7 Å²	7	78.9 Å²	78.9	4%	0.037	41%	0.413	C	S	.	.	H	α-helix	trans	-75.4	-21.1	-176.3	-67.9	174.5	0	0	0	113.3	L121 K122 I125 L177 L178 M184 V189 L196	L121-L181 HydrophobicContact CD2-CD1 4.36Å; K122-L181 VanDerWaalsContact CE-O 3.23Å; K122-L181 WeakPolarHBondContact CE-O 3.42Å; I125-L181 HydrophobicContact CD1-CD1 3.14Å; L177-L181 HydrophobicContact CD1-CD1 3.73Å; L177-L181 HydrophobicContact CD1-CG 4.08Å; L177-L181 HydrophobicContact CG-CD1 3.84Å; L177-L181 HydrophobicContact CG-CG 4.46Å; L177-L181 WeakPolarHBondContact O-CB 3.03Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.41Å; L177-L181 PolarHBondContact O-N 2.9Å; L178-L181 PolarHBondContact O-N 2.72Å; L181-M184 HydrophobicContact CD2-SD 4.37Å; L181-V189 HydrophobicContact CD2-CB 4.5Å; L181-V189 HydrophobicContact CD2-CG1 4.12Å; L181-V189 HydrophobicContact CD2-CG2 3.68Å; L181-L196 HydrophobicContact CD2-CD1 4.11Å
182	D	87.3	Confident	90.4	Very high	141 Å²	141	76.4 Å²	76.4	75%	0.754	39%	0.394	S	S	*	.	H	α-helix	trans	-65.9	-42.7	178.4	-169.5	57.8	0	0	0	112.3	L178 T180	L178-D182 PolarHBondContact O-N 2.94Å; T180-D182 VanDerWaalsContact C-N 3.31Å; T180-D182 PolarHBondContact O-N 2.91Å
183	W	86.8	Confident	90.9	Very high	175 Å²	175	73.9 Å²	73.9	66%	0.663	38%	0.379	S	S	*	.	H	α-helix	trans	-89.7	-22.1	-178.1	67	-101.2	0	0	0	114.6	T180	T180-W183 HydrophobicContact CG2-CZ2 4.17Å; T180-W183 PolarHBondContact O-NE1 3.14Å
184	M	91.6	Very high	91.1	Very high	22 Å²	22	74 Å²	74	11%	0.108	38%	0.384	C	S	.	.	S	Bend	trans	-65.6	147.3	179.1	-75.3	179.9	167.7	0	0	110.9	K122 T180 L181 L188 V189 L192	K122-M184 WeakPolarHBondContact CE-O 3.49Å; K122-M184 PolarHBondContact NZ-O 3.25Å; T180-M184 HydrophobicContact CG2-CE 3.31Å; T180-M184 HydrophobicContact CG2-CG 4.47Å; T180-M184 HydrophobicContact CG2-SD 3.79Å; T180-M184 VanDerWaalsContact O-CG 3.22Å; T180-M184 WeakPolarHBondContact O-CG 3.43Å; T180-M184 PolarHBondContact O-N 3.27Å; L181-M184 HydrophobicContact CD2-SD 4.37Å; M184-L188 HydrophobicContact CB-CD2 4.18Å; M184-L188 HydrophobicContact CE-CD2 4.11Å; M184-L188 HydrophobicContact CG-CD2 3.73Å; M184-L188 HydrophobicContact CG-CG 4.31Å; M184-L188 HydrophobicContact SD-CD2 4.12Å; M184-L188 HydrophobicContact SD-CG 4.21Å; M184-V189 HydrophobicContact CB-CG2 3.74Å; M184-V189 HydrophobicContact SD-CG2 4.41Å; M184-L192 HydrophobicContact CE-CD1 3.59Å; M184-L192 HydrophobicContact SD-CD1 3.67Å
185	D	93	Very high	91.2	Very high	93 Å²	93	82.5 Å²	82.5	50%	0.497	42%	0.421	S	S	.	.			trans	-76.3	168.6	168.8	64.2	58.8	0	0	0	112.3	D187 L188 V189	D185-D187 VanDerWaalsContact C-N 3.33Å; D185-D187 PolarHBondContact O-N 3.25Å; D185-D187 PolarHBondContact OD1-N 3.19Å; D185-D187 VanDerWaalsContact OD1-N 3.12Å; D185-L188 PolarHBondContact O-N 2.9Å; D185-L188 WeakPolarHBondContact OD1-CB 3.42Å; D185-L188 PolarHBondContact OD1-N 2.9Å; D185-V189 WeakPolarHBondContact O-CG2 3.21Å; D185-V189 PolarHBondContact O-N 2.9Å; D185-V189 VanDerWaalsContact O-N 3.08Å
186	D	91.1	Very high	91.3	Very high	110 Å²	110	78 Å²	78	59%	0.588	41%	0.407	S	S	*	.	H	α-helix	trans	-67.1	-32.6	-174.2	-66.5	-9.2	0	0	0	112.9	K122 V189 A190	K122-D186 WeakPolarHBondContact CD-OD1 3.47Å; K122-D186 WeakPolarHBondContact CE-OD1 3.4Å; K122-D186 IonicContact NZ-OD1 2.76Å; K122-D186 PolarHBondContact NZ-OD1 3.46Å; D186-V189 PolarHBondContact O-N 2.85Å; D186-A190 VanDerWaalsContact O-CB 3.32Å; D186-A190 WeakPolarHBondContact O-CB 3.38Å; D186-A190 PolarHBondContact O-N 2.73Å
187	D	93	Very high	91.3	Very high	130 Å²	130	72.1 Å²	72.1	70%	0.695	38%	0.382	S	S	*	.	H	α-helix	trans	-71.4	-41	-179.7	-73.2	-27.5	0	0	0	111.1	D185 A190 T191	D185-D187 VanDerWaalsContact C-N 3.33Å; D185-D187 PolarHBondContact O-N 3.25Å; D185-D187 PolarHBondContact OD1-N 3.19Å; D185-D187 VanDerWaalsContact OD1-N 3.12Å; D187-A190 PolarHBondContact O-N 3.46Å; D187-T191 WeakPolarHBondContact O-CB 3.27Å; D187-T191 PolarHBondContact O-N 2.8Å; D187-T191 PolarHBondContact O-OG1 3.34Å
188	L	93	Very high	91.4	Very high	62 Å²	62	74 Å²	74	33%	0.325	40%	0.404	S	S	.	.	H	α-helix	trans	-65.3	-43.3	174.6	-176	58.3	0	0	0	111.1	M184 D185 T191 L192	M184-L188 HydrophobicContact CB-CD2 4.18Å; M184-L188 HydrophobicContact CE-CD2 4.11Å; M184-L188 HydrophobicContact CG-CD2 3.73Å; M184-L188 HydrophobicContact CG-CG 4.31Å; M184-L188 HydrophobicContact SD-CD2 4.12Å; M184-L188 HydrophobicContact SD-CG 4.21Å; D185-L188 PolarHBondContact O-N 2.9Å; D185-L188 WeakPolarHBondContact OD1-CB 3.42Å; D185-L188 PolarHBondContact OD1-N 2.9Å; L188-T191 WeakPolarHBondContact O-CB 3.37Å; L188-T191 PolarHBondContact O-N 2.72Å; L188-L192 HydrophobicContact CD1-CD1 4.28Å; L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.23Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 2.61Å
189	V	93.4	Very high	91.4	Very high	4 Å²	4	80.5 Å²	80.5	2%	0.024	43%	0.434	C	S	.	.	H	α-helix	trans	-62.3	-44.7	174.4	172.5	0	0	0	0	111.2	L121 K122 L181 M184 D185 D186 T191 L192 T193	L121-V189 HydrophobicContact CB-CG1 3.9Å; L121-V189 HydrophobicContact CD2-CG1 4.22Å; L121-V189 HydrophobicContact CG-CG1 4.42Å; K122-V189 HydrophobicContact CD-CG2 4.18Å; K122-V189 HydrophobicContact CG-CG1 4.22Å; K122-V189 HydrophobicContact CG-CG2 4.18Å; L181-V189 HydrophobicContact CD2-CB 4.5Å; L181-V189 HydrophobicContact CD2-CG1 4.12Å; L181-V189 HydrophobicContact CD2-CG2 3.68Å; M184-V189 HydrophobicContact CB-CG2 3.74Å; M184-V189 HydrophobicContact SD-CG2 4.41Å; D185-V189 WeakPolarHBondContact O-CG2 3.21Å; D185-V189 PolarHBondContact O-N 2.9Å; D185-V189 VanDerWaalsContact O-N 3.08Å; D186-V189 PolarHBondContact O-N 2.85Å; V189-T191 PolarHBondContact O-N 2.78Å; V189-L192 PolarHBondContact O-N 3.05Å; V189-T193 WeakPolarHBondContact O-CB 3.25Å; V189-T193 PolarHBondContact O-N 2.87Å; V189-T193 PolarHBondContact O-OG1 3.25Å
190	A	92.8	Very high	91.5	Very high	62 Å²	62	76.7 Å²	76.7	51%	0.512	41%	0.411	S	S	.	.	H	α-helix	trans	-59.3	-38.9	177.3	0	0	0	0	0	111.7	D186 D187 P194	D186-A190 VanDerWaalsContact O-CB 3.32Å; D186-A190 WeakPolarHBondContact O-CB 3.38Å; D186-A190 PolarHBondContact O-N 2.73Å; D187-A190 PolarHBondContact O-N 3.46Å; A190-P194 WeakPolarHBondContact O-CD 3.22Å
191	T	93.8	Very high	91.6	Very high	108 Å²	108	76.4 Å²	76.4	66%	0.663	41%	0.41	S	S	*	.	H	α-helix	trans	-66.4	-39.3	176.7	-57.7	0	0	0	0	112.5	D187 L188 V189	D187-T191 WeakPolarHBondContact O-CB 3.27Å; D187-T191 PolarHBondContact O-N 2.8Å; D187-T191 PolarHBondContact O-OG1 3.34Å; L188-T191 WeakPolarHBondContact O-CB 3.37Å; L188-T191 PolarHBondContact O-N 2.72Å; V189-T191 PolarHBondContact O-N 2.78Å
192	L	92.2	Very high	91.8	Very high	59 Å²	59	76.3 Å²	76.3	31%	0.309	41%	0.41	S	S	.	.	H	α-helix	trans	-82.7	-22.7	-179.7	-68	174.1	0	0	0	113.7	M184 L188 V189 K195 L196	M184-L192 HydrophobicContact CE-CD1 3.59Å; M184-L192 HydrophobicContact SD-CD1 3.67Å; L188-L192 HydrophobicContact CD1-CD1 4.28Å; L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.23Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 2.61Å; V189-L192 PolarHBondContact O-N 3.05Å; L192-K195 WeakPolarHBondContact O-CB 3.43Å; L192-K195 PolarHBondContact O-N 2.53Å; L192-L196 HydrophobicContact CB-CD1 4.22Å; L192-L196 PolarHBondContact O-N 2.98Å
193	T	92.9	Very high	92.1	Very high	18 Å²	18	70.1 Å²	70.1	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-49.8	-48.2	-174.1	-68.6	0	0	0	0	113.3	L121 V189 K195 L196 I197 T203	L121-T193 HydrophobicContact CB-CG2 4.18Å; L121-T193 WeakPolarHBondContact CB-OG1 3.29Å; L121-T193 HydrophobicContact CD2-CG2 4.35Å; V189-T193 WeakPolarHBondContact O-CB 3.25Å; V189-T193 PolarHBondContact O-N 2.87Å; V189-T193 PolarHBondContact O-OG1 3.25Å; T193-K195 PolarHBondContact O-N 3.33Å; T193-L196 PolarHBondContact O-N 3.13Å; T193-L196 VanDerWaalsContact O-N 3.09Å; T193-I197 HydrophobicContact CG2-CG2 4.14Å; T193-I197 WeakPolarHBondContact O-CG1 3.42Å; T193-I197 PolarHBondContact O-N 2.96Å; T193-T203 HydrophobicContact CG2-CG2 3.78Å
194	P	92.8	Very high	92.4	Very high	86 Å²	86	63 Å²	63	56%	0.558	35%	0.35	S	S	*	.	H	α-helix	trans	-58.2	-35.8	179.3	-25.1	35.2	0	0	0	113.4	A190 G198	A190-P194 WeakPolarHBondContact O-CD 3.22Å; P194-G198 PolarHBondContact O-N 3.41Å
195	K	91.6	Very high	92.5	Very high	184 Å²	184	62 Å²	62	80%	0.8	35%	0.345	S	S	*	.	H	α-helix	trans	-75.6	-33.5	178.1	-171	173.6	-179	177.7	0	112.2	L192 T193	L192-K195 WeakPolarHBondContact O-CB 3.43Å; L192-K195 PolarHBondContact O-N 2.53Å; T193-K195 PolarHBondContact O-N 3.33Å
196	L	91.2	Very high	92.6	Very high	41 Å²	41	57.9 Å²	57.9	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-72.5	-43.3	179.5	-69.3	173.8	0	0	0	112.6	L121 L177 L181 L192 T193 G198 Y206	L121-L196 HydrophobicContact CD2-CB 4.34Å; L121-L196 HydrophobicContact CD2-CD1 3.61Å; L177-L196 HydrophobicContact CD1-CD1 4.25Å; L177-L196 HydrophobicContact CD1-CD2 3.83Å; L181-L196 HydrophobicContact CD2-CD1 4.11Å; L192-L196 HydrophobicContact CB-CD1 4.22Å; L192-L196 PolarHBondContact O-N 2.98Å; T193-L196 PolarHBondContact O-N 3.13Å; T193-L196 VanDerWaalsContact O-N 3.09Å; L196-G198 VanDerWaalsContact C-N 3.31Å; L196-Y206 VanDerWaalsContact O-CE2 3.22Å; L196-Y206 WeakPolarHBondContact O-CE2 3.47Å
197	I	91.8	Very high	92.8	Very high	22 Å²	22	52.7 Å²	52.7	11%	0.113	30%	0.295	C	S	.	.	H	α-helix	trans	-74.7	-23.4	-179.7	69.8	-179.2	0	0	0	112.4	T193 E199 R200 T203 Y206	T193-I197 HydrophobicContact CG2-CG2 4.14Å; T193-I197 WeakPolarHBondContact O-CG1 3.42Å; T193-I197 PolarHBondContact O-N 2.96Å; I197-E199 PolarHBondContact O-N 3.4Å; I197-R200 WeakPolarHBondContact O-CB 3.14Å; I197-R200 PolarHBondContact O-N 3.09Å; I197-T203 HydrophobicContact CG2-CG2 4.34Å; I197-Y206 HydrophobicContact CB-CG 4.33Å; I197-Y206 HydrophobicContact CG2-CD1 4.03Å; I197-Y206 HydrophobicContact CG2-CG 3.91Å
198	G	90.9	Very high	92.9	Very high	49 Å²	49	46.7 Å²	46.7	51%	0.505	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	-129.4	176.8	0	0	0	0	0	112	P194 L196 R200	P194-G198 PolarHBondContact O-N 3.41Å; L196-G198 VanDerWaalsContact C-N 3.31Å; G198-R200 PolarHBondContact O-N 2.86Å
199	E	91	Very high	93.1	Very high	157 Å²	157	44.1 Å²	44.1	73%	0.734	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-2.5	-178.9	-60.9	-174.6	163.6	0	0	113.9	D159 I197	D159-E199 HydrophobicContact CB-CB 4.35Å; I197-E199 PolarHBondContact O-N 3.4Å
200	R	92.4	Very high	93.2	Very high	29 Å²	29	44 Å²	44	11%	0.109	25%	0.25	C	C	.	.	S	Bend	trans	-72.4	143.1	178.7	-71.2	169.3	177	59.9	12.4	110.9	A156 D159 I197 G198 N202	A156-R200 PolarHBondContact O-NE 3.48Å; D159-R200 HydrophobicContact CB-CG 4.21Å; D159-R200 VanDerWaalsContact CG-NH1 3.32Å; D159-R200 IonicContact OD1-CZ 3.87Å; D159-R200 VanDerWaalsContact OD1-CZ 3.28Å; D159-R200 IonicContact OD1-NE 2.77Å; D159-R200 IonicContact OD1-NH1 2.78Å; D159-R200 IonicContact OD1-NH2 3.08Å; D159-R200 PolarHBondContact OD1-NH2 2.81Å; D159-R200 IonicContact OD2-CZ 2.72Å; D159-R200 IonicContact OD2-NH1 3.14Å; D159-R200 PolarHBondContact OD2-NH1 2.75Å; D159-R200 IonicContact OD2-NH2 2.72Å; D159-R200 PolarHBondContact OD2-NH2 2.95Å; I197-R200 WeakPolarHBondContact O-CB 3.14Å; I197-R200 PolarHBondContact O-N 3.09Å; G198-R200 PolarHBondContact O-N 2.86Å; R200-N202 VanDerWaalsContact C-N 3.26Å; R200-N202 PolarHBondContact O-N 2.94Å
201	P	91.9	Very high	93.4	Very high	45 Å²	45	41 Å²	41	29%	0.292	23%	0.225	S	C	.	.	S	Bend	trans	-70.8	-19.5	-175.3	29	-37.4	0	0	0	114.1	C158 T205 Y396 F397	C158-P201 VanDerWaalsContact SG-CD 3.54Å; P201-T205 HydrophobicContact CG-CG2 4.24Å; P201-Y396 HydrophobicContact CB-CD1 3.67Å; P201-Y396 HydrophobicContact CB-CD2 3.94Å; P201-Y396 HydrophobicContact CB-CE1 4.19Å; P201-Y396 HydrophobicContact CB-CE2 4.46Å; P201-Y396 HydrophobicContact CB-CG 3.52Å; P201-Y396 HydrophobicContact CG-CD1 3.49Å; P201-Y396 VanDerWaalsContact CG-CD1 3.49Å; P201-Y396 HydrophobicContact CG-CE1 3.72Å; P201-Y396 HydrophobicContact CG-CG 3.91Å; P201-F397 HydrophobicContact CG-CE1 4.15Å; P201-F397 HydrophobicContact CG-CE2 4.23Å; P201-F397 HydrophobicContact CG-CZ 3.61Å
202	N	93	Very high	93.6	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	19%	0.194	C	C	.	.	S	Bend	trans	-164.6	167.2	-173.6	54.6	56.9	0	0	0	114.1	F117 R200 Y204 T205 Y206	F117-N202 HydrophobicContact CB-CB 4.27Å; F117-N202 VanDerWaalsContact O-CB 3.28Å; F117-N202 WeakPolarHBondContact O-CB 3.3Å; R200-N202 VanDerWaalsContact C-N 3.26Å; R200-N202 PolarHBondContact O-N 2.94Å; N202-Y204 VanDerWaalsContact C-N 3.28Å; N202-Y204 PolarHBondContact O-N 3.02Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.48Å; N202-Y204 PolarHBondContact OD1-N 2.85Å; N202-T205 PolarHBondContact O-OG1 2.9Å; N202-T205 WeakPolarHBondContact OD1-CG2 3.48Å; N202-T205 PolarHBondContact OD1-N 2.82Å; N202-T205 PolarHBondContact OD1-OG1 2.87Å; N202-Y206 PolarHBondContact O-N 2.86Å
203	T	93.3	Very high	93.8	Very high	10 Å²	10	35.3 Å²	35.3	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-29.9	177.9	52.9	0	0	0	0	113	E119 L121 T193 I197 Y206 T207	E119-T203 PolarHBondContact O-OG1 3.19Å; L121-T203 HydrophobicContact CB-CG2 4.12Å; L121-T203 HydrophobicContact CD1-CG2 4.13Å; T193-T203 HydrophobicContact CG2-CG2 3.78Å; I197-T203 HydrophobicContact CG2-CG2 4.34Å; T203-Y206 PolarHBondContact O-N 2.87Å; T203-T207 WeakPolarHBondContact O-CB 3.26Å; T203-T207 VanDerWaalsContact O-CG2 3.31Å; T203-T207 WeakPolarHBondContact O-CG2 3.37Å; T203-T207 PolarHBondContact O-N 2.85Å; T203-T207 PolarHBondContact O-OG1 2.93Å
204	Y	93.1	Very high	94	Very high	26 Å²	26	34.5 Å²	34.5	10%	0.102	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-52.6	178.4	168.8	-100.1	0	0	0	112.5	T114 F117 T153 N202 Y206 T207 K208	T114-Y204 WeakPolarHBondContact O-CD2 3.44Å; T114-Y204 WeakPolarHBondContact O-CE2 3.42Å; F117-Y204 AromaticContact CD1-CD1 3.68Å; F117-Y204 HydrophobicContact CD1-CD1 3.68Å; F117-Y204 HydrophobicContact CD1-CE1 4.49Å; F117-Y204 AromaticContact CD1-CG 3.91Å; F117-Y204 HydrophobicContact CD1-CG 3.91Å; F117-Y204 AromaticContact CE1-CD1 3.48Å; F117-Y204 HydrophobicContact CE1-CD1 3.48Å; F117-Y204 VanDerWaalsContact CE1-CD1 3.48Å; F117-Y204 AromaticContact CE1-CE1 3.86Å; F117-Y204 HydrophobicContact CE1-CE1 3.86Å; F117-Y204 HydrophobicContact CE1-CG 4.09Å; T153-Y204 HydrophobicContact CG2-CE1 3.78Å; N202-Y204 VanDerWaalsContact C-N 3.28Å; N202-Y204 PolarHBondContact O-N 3.02Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.48Å; N202-Y204 PolarHBondContact OD1-N 2.85Å; Y204-Y206 VanDerWaalsContact C-N 3.29Å; Y204-Y206 PolarHBondContact O-N 2.86Å; Y204-T207 PolarHBondContact O-N 3.07Å; Y204-T207 PolarHBondContact O-OG1 3.33Å; Y204-K208 HydrophobicContact CD2-CG 4.26Å; Y204-K208 HydrophobicContact CE1-CG 4.47Å; Y204-K208 HydrophobicContact CE2-CD 4.48Å; Y204-K208 HydrophobicContact CE2-CG 3.84Å; Y204-K208 WeakPolarHBondContact O-CB 3.28Å; Y204-K208 WeakPolarHBondContact O-CG 3.42Å; Y204-K208 PolarHBondContact O-N 3.09Å
205	T	94.5	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-40.3	178.8	52.4	0	0	0	0	111.5	Y155 P201 N202 A209 F397	Y155-T205 WeakPolarHBondContact O-CB 3.06Å; Y155-T205 VanDerWaalsContact O-CG2 3.26Å; Y155-T205 WeakPolarHBondContact O-CG2 3.25Å; P201-T205 HydrophobicContact CG-CG2 4.24Å; N202-T205 PolarHBondContact O-OG1 2.9Å; N202-T205 WeakPolarHBondContact OD1-CG2 3.48Å; N202-T205 PolarHBondContact OD1-N 2.82Å; N202-T205 PolarHBondContact OD1-OG1 2.87Å; T205-A209 PolarHBondContact O-N 3.4Å; T205-A209 VanDerWaalsContact O-N 3.11Å; T205-F397 HydrophobicContact CG2-CE1 4.33Å; T205-F397 HydrophobicContact CG2-CZ 3.91Å
206	Y	94.5	Very high	94.3	Very high	8 Å²	8	25.1 Å²	25.1	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-49.9	176.1	179.1	-108.5	0	0	0	113.1	L121 L177 L196 I197 N202 T203 Y204 K208 A209 L210	L121-Y206 HydrophobicContact CD1-CD1 3.89Å; L121-Y206 HydrophobicContact CD1-CE1 4.17Å; L177-Y206 HydrophobicContact CD2-CE1 4.29Å; L177-Y206 WeakPolarHBondContact CD2-OH 3.24Å; L196-Y206 VanDerWaalsContact O-CE2 3.22Å; L196-Y206 WeakPolarHBondContact O-CE2 3.47Å; I197-Y206 HydrophobicContact CB-CG 4.33Å; I197-Y206 HydrophobicContact CG2-CD1 4.03Å; I197-Y206 HydrophobicContact CG2-CG 3.91Å; N202-Y206 PolarHBondContact O-N 2.86Å; T203-Y206 PolarHBondContact O-N 2.87Å; Y204-Y206 VanDerWaalsContact C-N 3.29Å; Y204-Y206 PolarHBondContact O-N 2.86Å; Y206-K208 VanDerWaalsContact C-N 3.33Å; Y206-K208 PolarHBondContact O-N 3.3Å; Y206-A209 PolarHBondContact O-N 3.13Å; Y206-L210 PolarHBondContact O-N 3.19Å
207	T	94.9	Very high	94.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.9	-29.5	-178	53.1	0	0	0	0	112.7	L121 A124 I125 N128 V129 T203 Y204 L210 A211	L121-T207 HydrophobicContact CD1-CG2 4.01Å; A124-T207 HydrophobicContact CB-CG2 3.81Å; I125-T207 HydrophobicContact CG1-CG2 3.67Å; N128-T207 PolarHBondContact ND2-OG1 3.41Å; V129-T207 WeakPolarHBondContact CG2-O 3.49Å; T203-T207 WeakPolarHBondContact O-CB 3.26Å; T203-T207 VanDerWaalsContact O-CG2 3.31Å; T203-T207 WeakPolarHBondContact O-CG2 3.37Å; T203-T207 PolarHBondContact O-N 2.85Å; T203-T207 PolarHBondContact O-OG1 2.93Å; Y204-T207 PolarHBondContact O-N 3.07Å; Y204-T207 PolarHBondContact O-OG1 3.33Å; T207-L210 PolarHBondContact O-N 2.96Å; T207-A211 WeakPolarHBondContact O-CB 3.39Å; T207-A211 PolarHBondContact O-N 2.88Å
208	K	96.1	Very high	94.7	Very high	4 Å²	4	28 Å²	28	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-44.3	170.6	-77.2	-62.1	-166	175.5	0	112.6	A113 V151 T153 A156 Y204 Y206 L210 A211 E212	A113-K208 VanDerWaalsContact CB-NZ 3.35Å; V151-K208 PolarHBondContact O-NZ 2.78Å; T153-K208 HydrophobicContact CG2-CB 3.9Å; T153-K208 HydrophobicContact CG2-CG 3.91Å; A156-K208 HydrophobicContact CB-CB 4.15Å; Y204-K208 HydrophobicContact CD2-CG 4.26Å; Y204-K208 HydrophobicContact CE1-CG 4.47Å; Y204-K208 HydrophobicContact CE2-CD 4.48Å; Y204-K208 HydrophobicContact CE2-CG 3.84Å; Y204-K208 WeakPolarHBondContact O-CB 3.28Å; Y204-K208 WeakPolarHBondContact O-CG 3.42Å; Y204-K208 PolarHBondContact O-N 3.09Å; Y206-K208 VanDerWaalsContact C-N 3.33Å; Y206-K208 PolarHBondContact O-N 3.3Å; K208-L210 VanDerWaalsContact C-N 3.31Å; K208-L210 PolarHBondContact O-N 3.36Å; K208-A211 PolarHBondContact O-N 3.34Å; K208-E212 WeakPolarHBondContact O-CG 3.37Å; K208-E212 PolarHBondContact O-N 3.17Å
209	A	96.2	Very high	94.9	Very high	8 Å²	8	25.9 Å²	25.9	7%	0.066	12%	0.124	C	C	.	.	H	α-helix	trans	-60	-42.3	172.3	0	0	0	0	0	112.2	A156 T205 Y206 A211 E212 Y213	A156-A209 HydrophobicContact CB-CB 4.18Å; A156-A209 WeakPolarHBondContact O-CB 3.36Å; T205-A209 PolarHBondContact O-N 3.4Å; T205-A209 VanDerWaalsContact O-N 3.11Å; Y206-A209 PolarHBondContact O-N 3.13Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.2Å; A209-E212 PolarHBondContact O-N 2.94Å; A209-Y213 PolarHBondContact O-N 3.42Å; A209-Y213 VanDerWaalsContact O-N 3.15Å
210	L	96	Very high	94.9	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-40.1	177.8	-168.5	60.2	0	0	0	112	V129 P170 Y174 L177 Y206 T207 K208 Y213 L214	V129-L210 HydrophobicContact CG1-CD2 4.3Å; V129-L210 HydrophobicContact CG1-CG 4.22Å; V129-L210 HydrophobicContact CG2-CB 4.11Å; V129-L210 HydrophobicContact CG2-CD2 4.09Å; V129-L210 HydrophobicContact CG2-CG 4.19Å; P170-L210 HydrophobicContact CB-CD1 4.34Å; P170-L210 HydrophobicContact CG-CD1 4.36Å; Y174-L210 VanDerWaalsContact CB-CD1 3.5Å; L177-L210 HydrophobicContact CD2-CD2 3.76Å; Y206-L210 PolarHBondContact O-N 3.19Å; T207-L210 PolarHBondContact O-N 2.96Å; K208-L210 VanDerWaalsContact C-N 3.31Å; K208-L210 PolarHBondContact O-N 3.36Å; L210-Y213 PolarHBondContact O-N 3.35Å; L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 PolarHBondContact O-N 2.78Å
211	A	96.7	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-42.5	176.6	0	0	0	0	0	112.3	N128 V129 T207 K208 A209 Y213 L214 V215	N128-A211 WeakPolarHBondContact O-CB 3.39Å; V129-A211 HydrophobicContact CG2-CB 4.38Å; T207-A211 WeakPolarHBondContact O-CB 3.39Å; T207-A211 PolarHBondContact O-N 2.88Å; K208-A211 PolarHBondContact O-N 3.34Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.2Å; A211-Y213 VanDerWaalsContact C-N 3.34Å; A211-Y213 PolarHBondContact O-N 3.37Å; A211-L214 PolarHBondContact O-N 2.94Å; A211-V215 WeakPolarHBondContact O-CB 3.44Å; A211-V215 VanDerWaalsContact O-CG2 3.23Å; A211-V215 WeakPolarHBondContact O-CG2 3.47Å; A211-V215 PolarHBondContact O-N 3.49Å
212	E	97.7	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-43.3	175.8	-69.3	-175.5	-165.4	0	0	112.3	S152 H157 V167 K208 A209 V215 Q216 I226 R228	S152-E212 WeakPolarHBondContact CB-OE1 3.02Å; S152-E212 WeakPolarHBondContact OG-CG 3.47Å; S152-E212 PolarHBondContact OG-OE1 3.31Å; H157-E212 IonicContact NE2-OE2 2.8Å; V167-E212 HydrophobicContact CG1-CB 4.18Å; K208-E212 WeakPolarHBondContact O-CG 3.37Å; K208-E212 PolarHBondContact O-N 3.17Å; A209-E212 PolarHBondContact O-N 2.94Å; E212-V215 WeakPolarHBondContact O-CB 3.48Å; E212-V215 PolarHBondContact O-N 2.81Å; E212-Q216 PolarHBondContact O-N 2.79Å; E212-I226 HydrophobicContact CB-CD1 4.13Å; E212-I226 HydrophobicContact CG-CD1 4.16Å; E212-I226 HydrophobicContact CG-CG2 4.16Å; E212-R228 VanDerWaalsContact CD-NE 3.33Å; E212-R228 IonicContact OE1-CZ 3.22Å; E212-R228 IonicContact OE1-NE 3.81Å; E212-R228 PolarHBondContact OE1-NE 3.44Å; E212-R228 IonicContact OE1-NH2 2.72Å; E212-R228 IonicContact OE2-CZ 3.75Å; E212-R228 IonicContact OE2-NE 2.61Å; E212-R228 PolarHBondContact OE2-NE 2.98Å; E212-R228 IonicContact OE2-NH2 3.84Å; E212-R228 PolarHBondContact OE2-NH2 3.37Å
213	Y	96.8	Very high	95	Very high	47 Å²	47	26.7 Å²	26.7	18%	0.184	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-44.1	176.1	-172.6	-106.3	0	0	0	111.7	V167 P169 P170 Y174 A209 L210 A211 V215 Q216 Q217	V167-Y213 HydrophobicContact CG1-CD2 4.36Å; P169-Y213 HydrophobicContact CB-CD2 4.36Å; P169-Y213 HydrophobicContact CB-CE2 3.79Å; P170-Y213 HydrophobicContact CG-CD1 3.57Å; P170-Y213 HydrophobicContact CG-CE1 3.87Å; P170-Y213 HydrophobicContact CG-CG 3.91Å; Y174-Y213 AromaticContact CD1-CD1 3.89Å; Y174-Y213 HydrophobicContact CD1-CD1 3.89Å; Y174-Y213 AromaticContact CD1-CE1 3.8Å; Y174-Y213 HydrophobicContact CD1-CE1 3.8Å; Y174-Y213 HydrophobicContact CE1-CE1 4.34Å; Y174-Y213 HydrophobicContact CG-CD1 4.43Å; A209-Y213 PolarHBondContact O-N 3.42Å; A209-Y213 VanDerWaalsContact O-N 3.15Å; L210-Y213 PolarHBondContact O-N 3.35Å; A211-Y213 VanDerWaalsContact C-N 3.34Å; A211-Y213 PolarHBondContact O-N 3.37Å; Y213-V215 VanDerWaalsContact C-N 3.28Å; Y213-V215 PolarHBondContact O-N 3.31Å; Y213-Q216 WeakPolarHBondContact O-CB 3.46Å; Y213-Q216 PolarHBondContact O-N 2.92Å; Y213-Q216 VanDerWaalsContact O-N 3.09Å; Y213-Q217 HydrophobicContact CD1-CG 3.87Å; Y213-Q217 HydrophobicContact CE1-CG 3.52Å; Y213-Q217 HydrophobicContact CE2-CG 4.26Å; Y213-Q217 HydrophobicContact CG-CG 4.39Å; Y213-Q217 WeakPolarHBondContact O-CG 3.04Å; Y213-Q217 PolarHBondContact O-N 2.97Å
214	L	96.6	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-45.8	174.6	-175.9	151.1	0	0	0	110.9	V129 Q133 L136 Y174 L178 L210 A211 Q216 Q217 E218	V129-L214 HydrophobicContact CG1-CD1 3.6Å; Q133-L214 HydrophobicContact CB-CD1 3.96Å; Q133-L214 HydrophobicContact CB-CD2 3.81Å; L136-L214 HydrophobicContact CD1-CD2 3.81Å; Y174-L214 HydrophobicContact CD2-CB 4.42Å; Y174-L214 HydrophobicContact CD2-CD1 4Å; Y174-L214 HydrophobicContact CD2-CG 4.35Å; Y174-L214 HydrophobicContact CE2-CB 4.37Å; Y174-L214 HydrophobicContact CE2-CD1 3.78Å; Y174-L214 HydrophobicContact CE2-CG 3.92Å; L178-L214 HydrophobicContact CD1-CD1 4.42Å; L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 PolarHBondContact O-N 2.78Å; A211-L214 PolarHBondContact O-N 2.94Å; L214-Q216 VanDerWaalsContact C-N 3.31Å; L214-Q216 PolarHBondContact O-N 3.44Å; L214-Q217 PolarHBondContact O-N 3.17Å; L214-Q217 VanDerWaalsContact O-N 3.13Å; L214-E218 HydrophobicContact CD2-CB 4.39Å; L214-E218 HydrophobicContact CD2-CG 4.4Å; L214-E218 HydrophobicContact CG-CG 4.38Å; L214-E218 WeakPolarHBondContact O-CB 3.45Å; L214-E218 PolarHBondContact O-N 3.17Å
215	V	97	Very high	95.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57	-45.7	175.7	168.5	0	0	0	0	110.9	T132 L136 A211 E212 Y213 Q217 E218 A219 V224 I226 I303	T132-V215 HydrophobicContact CG2-CG2 3.43Å; T132-V215 VanDerWaalsContact CG2-CG2 3.43Å; L136-V215 HydrophobicContact CD1-CB 4.42Å; L136-V215 HydrophobicContact CD1-CG2 4.03Å; A211-V215 WeakPolarHBondContact O-CB 3.44Å; A211-V215 VanDerWaalsContact O-CG2 3.23Å; A211-V215 WeakPolarHBondContact O-CG2 3.47Å; A211-V215 PolarHBondContact O-N 3.49Å; E212-V215 WeakPolarHBondContact O-CB 3.48Å; E212-V215 PolarHBondContact O-N 2.81Å; Y213-V215 VanDerWaalsContact C-N 3.28Å; Y213-V215 PolarHBondContact O-N 3.31Å; V215-Q217 VanDerWaalsContact C-N 3.32Å; V215-Q217 PolarHBondContact O-N 3.35Å; V215-E218 PolarHBondContact O-N 3.34Å; V215-A219 WeakPolarHBondContact O-CB 3.38Å; V215-A219 PolarHBondContact O-N 3.45Å; V215-V224 HydrophobicContact CG1-CB 4.48Å; V215-V224 HydrophobicContact CG1-CG1 3.52Å; V215-I226 HydrophobicContact CG1-CD1 4.38Å; V215-I303 HydrophobicContact CG1-CD1 4.02Å
216	Q	95.6	Very high	95.5	Very high	73 Å²	73	25.1 Å²	25.1	34%	0.341	14%	0.139	S	C	.	.	H	α-helix	trans	-61.9	-38.2	176.7	-173.7	-179.5	53.2	0	0	113.2	V167 E212 Y213 L214 I303	V167-Q216 HydrophobicContact CB-CB 4.39Å; V167-Q216 HydrophobicContact CG1-CB 4.01Å; V167-Q216 HydrophobicContact CG2-CB 4.47Å; E212-Q216 PolarHBondContact O-N 2.79Å; Y213-Q216 WeakPolarHBondContact O-CB 3.46Å; Y213-Q216 PolarHBondContact O-N 2.92Å; Y213-Q216 VanDerWaalsContact O-N 3.09Å; L214-Q216 VanDerWaalsContact C-N 3.31Å; L214-Q216 PolarHBondContact O-N 3.44Å; Q216-I303 HydrophobicContact CB-CD1 4.16Å; Q216-I303 HydrophobicContact CG-CD1 4.46Å
217	Q	94.9	Very high	95.7	Very high	84 Å²	84	24.7 Å²	24.7	39%	0.393	14%	0.138	S	C	.	.	H	α-helix	trans	-78.4	-31.7	-178.1	-62.7	-53.2	-60.1	0	0	113.3	Y174 Y213 L214 V215	Y174-Q217 HydrophobicContact CE1-CB 4.06Å; Y174-Q217 HydrophobicContact CE1-CG 3.99Å; Y213-Q217 HydrophobicContact CD1-CG 3.87Å; Y213-Q217 HydrophobicContact CE1-CG 3.52Å; Y213-Q217 HydrophobicContact CE2-CG 4.26Å; Y213-Q217 HydrophobicContact CG-CG 4.39Å; Y213-Q217 WeakPolarHBondContact O-CG 3.04Å; Y213-Q217 PolarHBondContact O-N 2.97Å; L214-Q217 PolarHBondContact O-N 3.17Å; L214-Q217 VanDerWaalsContact O-N 3.13Å; V215-Q217 VanDerWaalsContact C-N 3.32Å; V215-Q217 PolarHBondContact O-N 3.35Å
218	E	95.5	Very high	95.9	Very high	40 Å²	40	24.7 Å²	24.7	19%	0.187	14%	0.138	C	C	.	.	H	α-helix	trans	-110.6	-6.1	-170.1	-61	-170.3	-169.7	0	0	114	Q133 L136 H140 Y174 L214 V215 G220	Q133-E218 VanDerWaalsContact CG-OE2 3.28Å; Q133-E218 WeakPolarHBondContact CG-OE2 3.4Å; Q133-E218 VanDerWaalsContact NE2-CD 3.3Å; Q133-E218 PolarHBondContact NE2-OE1 3.03Å; Q133-E218 PolarHBondContact NE2-OE2 2.78Å; L136-E218 HydrophobicContact CD1-CB 4.18Å; H140-E218 PolarHBondContact NE2-O 3.46Å; Y174-E218 VanDerWaalsContact CE2-OE1 3.28Å; Y174-E218 WeakPolarHBondContact CE2-OE1 3.23Å; Y174-E218 VanDerWaalsContact CZ-OE1 3.32Å; Y174-E218 WeakPolarHBondContact OH-CG 3.27Å; Y174-E218 PolarHBondContact OH-OE1 2.74Å; L214-E218 HydrophobicContact CD2-CB 4.39Å; L214-E218 HydrophobicContact CD2-CG 4.4Å; L214-E218 HydrophobicContact CG-CG 4.38Å; L214-E218 WeakPolarHBondContact O-CB 3.45Å; L214-E218 PolarHBondContact O-N 3.17Å; V215-E218 PolarHBondContact O-N 3.34Å; E218-G220 PolarHBondContact O-N 3.38Å
219	A	94.2	Very high	96	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.033	14%	0.139	C	C	.	.			trans	-58.9	-32.1	175	0	0	0	0	0	112.8	H140 V215 D221 L222 V224 I303	H140-A219 PolarHBondContact CE1-O 3.45Å; H140-A219 PolarHBondContact NE2-O 2.92Å; V215-A219 WeakPolarHBondContact O-CB 3.38Å; V215-A219 PolarHBondContact O-N 3.45Å; A219-D221 PolarHBondContact O-N 3.39Å; A219-L222 WeakPolarHBondContact O-CB 3.35Å; A219-L222 VanDerWaalsContact O-CG 3.3Å; A219-L222 WeakPolarHBondContact O-CG 3.47Å; A219-L222 PolarHBondContact O-N 2.93Å; A219-V224 HydrophobicContact CB-CB 4.43Å; A219-V224 HydrophobicContact CB-CG2 3.65Å; A219-I303 HydrophobicContact CB-CD1 4.34Å
220	G	92.2	Very high	96	Very high	57 Å²	57	24.7 Å²	24.7	59%	0.588	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	-123.1	-175.4	0	0	0	0	0	111.3	E218 L222	E218-G220 PolarHBondContact O-N 3.38Å; G220-L222 VanDerWaalsContact C-N 3.34Å
221	D	90.4	Very high	95.9	Very high	157 Å²	157	26.1 Å²	26.1	84%	0.84	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.7	179.5	-62.1	-32.7	0	0	0	114	A219 N223 R299	A219-D221 PolarHBondContact O-N 3.39Å; D221-N223 PolarHBondContact O-N 3.02Å; D221-R299 PolarHBondContact O-NH1 3.2Å
222	L	93.8	Very high	95.9	Very high	18 Å²	18	27.6 Å²	27.6	9%	0.094	15%	0.154	C	C	.	.	S	Bend	trans	-64.9	135.3	177.8	-64.1	178.8	0	0	0	111.2	L136 A139 L145 A219 G220 V224 R299	L136-L222 HydrophobicContact CD2-CD1 4.17Å; A139-L222 HydrophobicContact CB-CD1 3.75Å; L145-L222 HydrophobicContact CD2-CD2 3.82Å; A219-L222 WeakPolarHBondContact O-CB 3.35Å; A219-L222 VanDerWaalsContact O-CG 3.3Å; A219-L222 WeakPolarHBondContact O-CG 3.47Å; A219-L222 PolarHBondContact O-N 2.93Å; G220-L222 VanDerWaalsContact C-N 3.34Å; L222-V224 HydrophobicContact CB-CG2 3.97Å; L222-V224 PolarHBondContact O-N 3.15Å; L222-R299 PolarHBondContact O-NH1 2.73Å; L222-R299 PolarHBondContact O-NH2 3.22Å
223	N	94.7	Very high	95.8	Very high	22 Å²	22	27.6 Å²	27.6	12%	0.118	15%	0.154	C	C	.	.			trans	-75.8	105.3	172.7	-171	20.2	0	0	0	110.9	E146 V147 F148 D221 S292 R299	E146-N223 VanDerWaalsContact O-CB 3.25Å; E146-N223 WeakPolarHBondContact O-CB 3.32Å; E146-N223 PolarHBondContact O-ND2 3.13Å; V147-N223 CarbonylContact C-O 3.53Å; V147-N223 VanDerWaalsContact CA-O 3.31Å; V147-N223 WeakPolarHBondContact CA-O 3.25Å; F148-N223 PolarHBondContact N-O 3.5Å; D221-N223 PolarHBondContact O-N 3.02Å; N223-S292 PolarHBondContact ND2-O 3.43Å; N223-R299 PolarHBondContact OD1-NE 2.96Å
224	V	96.3	Very high	95.9	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.2	-174	-176	0	0	0	0	111.1	F148 V215 A219 L222 I303	F148-V224 HydrophobicContact CB-CG2 4.23Å; F148-V224 HydrophobicContact CD1-CG1 4.24Å; F148-V224 VanDerWaalsContact O-CA 3.3Å; F148-V224 WeakPolarHBondContact O-CA 3.38Å; V215-V224 HydrophobicContact CG1-CB 4.48Å; V215-V224 HydrophobicContact CG1-CG1 3.52Å; A219-V224 HydrophobicContact CB-CB 4.43Å; A219-V224 HydrophobicContact CB-CG2 3.65Å; L222-V224 HydrophobicContact CB-CG2 3.97Å; L222-V224 PolarHBondContact O-N 3.15Å; V224-I303 HydrophobicContact CB-CD1 4.15Å; V224-I303 HydrophobicContact CB-CG1 4.37Å; V224-I303 HydrophobicContact CG1-CD1 4.26Å; V224-I303 HydrophobicContact CG1-CG2 4.43Å
225	A	97.6	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.9	163.3	0	0	0	0	0	111.1	F148 I149 H150 L304 Y306	F148-A225 PolarHBondContact O-N 3.41Å; F148-A225 VanDerWaalsContact O-N 3.1Å; I149-A225 WeakPolarHBondContact CA-O 3.23Å; I149-A225 HydrophobicContact CD1-CB 3.73Å; H150-A225 PolarHBondContact N-O 2.93Å; A225-L304 CarbonylContact C-O 3.54Å; A225-L304 WeakPolarHBondContact CA-O 3.41Å; A225-L304 HydrophobicContact CB-CB 4.43Å; A225-Y306 HydrophobicContact CB-CE2 3.97Å
226	I	98.7	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.7	-179.8	-63.3	168.8	0	0	0	108.8	H150 V167 E212 V215 R228 I303 L304 V305 Y306	H150-I226 HydrophobicContact CB-CG1 4.27Å; H150-I226 WeakPolarHBondContact O-CA 3.39Å; V167-I226 HydrophobicContact CG2-CD1 3.6Å; E212-I226 HydrophobicContact CB-CD1 4.13Å; E212-I226 HydrophobicContact CG-CD1 4.16Å; E212-I226 HydrophobicContact CG-CG2 4.16Å; V215-I226 HydrophobicContact CG1-CD1 4.38Å; I226-R228 HydrophobicContact CG2-CG 4.15Å; I226-I303 HydrophobicContact CD1-CG2 3.85Å; I226-I303 HydrophobicContact CG1-CG2 3.87Å; I226-L304 PolarHBondContact N-O 3.38Å; I226-V305 HydrophobicContact CB-CG1 4.3Å; I226-V305 HydrophobicContact CB-CG2 4.28Å; I226-V305 HydrophobicContact CD1-CG2 4.45Å; I226-V305 HydrophobicContact CG2-CG1 4.24Å; I226-V305 CarbonylContact O-C 3.25Å; I226-V305 WeakPolarHBondContact O-CA 3.34Å; I226-Y306 PolarHBondContact O-N 3.27Å
227	V	98.8	Very high	95.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.6	174.2	-178.7	0	0	0	0	108.9	I149 H150 S152 P229 A288 Y306	I149-V227 HydrophobicContact CG2-CG2 3.97Å; H150-V227 PolarHBondContact O-N 3Å; S152-V227 PolarHBondContact N-O 3.48Å; V227-P229 VanDerWaalsContact O-CD 3.23Å; V227-P229 WeakPolarHBondContact O-CD 3.48Å; V227-A288 HydrophobicContact CG2-CB 4.21Å; V227-Y306 HydrophobicContact CG2-CD2 4.32Å
228	R	98.5	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	87.5	-176.9	-77.3	177.7	-179.8	160.4	1.2	110.5	E164 V166 E212 I226 V305 Y306 N307 C308	E164-R228 PolarHBondContact O-NH1 2.8Å; V166-R228 PolarHBondContact O-NH1 3.41Å; V166-R228 PolarHBondContact O-NH2 2.6Å; E212-R228 VanDerWaalsContact CD-NE 3.33Å; E212-R228 IonicContact OE1-CZ 3.22Å; E212-R228 IonicContact OE1-NE 3.81Å; E212-R228 PolarHBondContact OE1-NE 3.44Å; E212-R228 IonicContact OE1-NH2 2.72Å; E212-R228 IonicContact OE2-CZ 3.75Å; E212-R228 IonicContact OE2-NE 2.61Å; E212-R228 PolarHBondContact OE2-NE 2.98Å; E212-R228 IonicContact OE2-NH2 3.84Å; E212-R228 PolarHBondContact OE2-NH2 3.37Å; I226-R228 HydrophobicContact CG2-CG 4.15Å; R228-V305 HydrophobicContact CG-CG1 4.19Å; R228-Y306 PolarHBondContact N-O 2.64Å; R228-N307 WeakPolarHBondContact CD-OD1 3.27Å; R228-N307 PolarHBondContact NH1-OD1 3.31Å; R228-C308 PolarHBondContact O-N 3.15Å
229	P	97.8	Very high	95.3	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.039	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	146.1	170.9	28.6	-34.7	0	0	0	112.5	M22 V151 S152 T153 A154 V227 V232 V276 V281	M22-P229 HydrophobicContact CE-CG 4.3Å; M22-P229 HydrophobicContact SD-CG 4.48Å; V151-P229 HydrophobicContact CG1-CG 4.17Å; S152-P229 WeakPolarHBondContact O-CD 3.23Å; T153-P229 CarbonylContact C-O 3.54Å; T153-P229 WeakPolarHBondContact CA-O 3.36Å; T153-P229 PolarHBondContact OG1-O 2.9Å; A154-P229 PolarHBondContact N-O 2.71Å; V227-P229 VanDerWaalsContact O-CD 3.23Å; V227-P229 WeakPolarHBondContact O-CD 3.48Å; P229-V232 HydrophobicContact CB-CG2 3.77Å; P229-V232 HydrophobicContact CG-CG2 4.34Å; P229-V276 HydrophobicContact CB-CG1 4.46Å; P229-V281 HydrophobicContact CB-CG1 3.78Å; P229-V281 HydrophobicContact CB-CG2 3.9Å; P229-V281 HydrophobicContact CG-CG1 4.29Å
230	S	96.2	Very high	95.2	Very high	6 Å²	6	25 Å²	25	4%	0.042	14%	0.14	C	C	.	.			trans	-78.8	-145.6	164.9	65.4	0	0	0	0	111.7	V232 D274 V276 C308	S230-V232 PolarHBondContact O-N 3.34Å; S230-D274 VanDerWaalsContact CB-O 3.25Å; S230-D274 WeakPolarHBondContact CB-O 3.33Å; S230-D274 PolarHBondContact OG-O 2.92Å; S230-V276 WeakPolarHBondContact OG-CG1 3.29Å; S230-C308 PolarHBondContact N-O 2.96Å; S230-C308 VanDerWaalsContact N-O 3.16Å
231	I	95.1	Very high	95.4	Very high	32 Å²	32	25.4 Å²	25.4	16%	0.164	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	102	-177.3	-56.8	172.2	0	0	0	108.6	Y155 G233 P250 D274 L275 V276 W318	Y155-I231 HydrophobicContact CE2-CG1 3.67Å; Y155-I231 WeakPolarHBondContact OH-CG1 3.42Å; I231-G233 PolarHBondContact O-N 3.14Å; I231-P250 HydrophobicContact CG2-CG 3.69Å; I231-D274 VanDerWaalsContact CB-O 3.32Å; I231-D274 WeakPolarHBondContact CB-O 3.45Å; I231-D274 PolarHBondContact N-O 3.29Å; I231-L275 HydrophobicContact CB-CD2 3.96Å; I231-L275 HydrophobicContact CG2-CD2 3.64Å; I231-L275 CarbonylContact O-C 3.59Å; I231-L275 WeakPolarHBondContact O-CA 3.42Å; I231-V276 PolarHBondContact O-N 3.25Å; I231-W318 HydrophobicContact CD1-CH2 4.46Å; I231-W318 HydrophobicContact CD1-CZ2 4.22Å
232	V	96	Very high	95.6	Very high	31 Å²	31	17.9 Å²	17.9	19%	0.188	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.3	-178.1	-168.3	0	0	0	0	110.9	F21 M22 P229 S230 V276 V278 V281	F21-V232 HydrophobicContact CD1-CG1 4.44Å; F21-V232 HydrophobicContact CE1-CG1 3.88Å; M22-V232 HydrophobicContact CG-CG1 4.4Å; M22-V232 HydrophobicContact SD-CG2 4.04Å; P229-V232 HydrophobicContact CB-CG2 3.77Å; P229-V232 HydrophobicContact CG-CG2 4.34Å; S230-V232 PolarHBondContact O-N 3.34Å; V232-V276 CarbonylContact C-O 3.4Å; V232-V276 VanDerWaalsContact CA-O 3.29Å; V232-V276 WeakPolarHBondContact CA-O 3.28Å; V232-V276 HydrophobicContact CG2-CG1 4.16Å; V232-V278 HydrophobicContact CG1-CB 3.66Å; V232-V278 HydrophobicContact CG1-CG2 3.96Å; V232-V281 HydrophobicContact CG2-CG2 4.37Å
233	G	96.1	Very high	95.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-166.6	177.3	0	0	0	0	0	113.5	F21 I231 V276 V278	F21-G233 WeakPolarHBondContact CZ-O 3.5Å; I231-G233 PolarHBondContact O-N 3.14Å; G233-V276 PolarHBondContact N-O 3.25Å; G233-V278 PolarHBondContact O-N 3.47Å
234	A	97.3	Very high	95.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-60.7	162	173.8	0	0	0	0	0	112.2	W243 I244 P277 Y436 Y440	A234-W243 VanDerWaalsContact CA-O 3.29Å; A234-W243 WeakPolarHBondContact CA-O 3.28Å; A234-W243 WeakPolarHBondContact CB-O 3.48Å; A234-I244 HydrophobicContact CB-CB 3.98Å; A234-I244 HydrophobicContact CB-CG2 4.26Å; A234-P277 WeakPolarHBondContact O-CA 3.4Å; A234-Y436 PolarHBondContact N-OH 3.3Å; A234-Y436 WeakPolarHBondContact O-CE2 3.41Å; A234-Y436 PolarHBondContact O-OH 3.18Å; A234-Y440 HydrophobicContact CB-CD1 4.18Å; A234-Y440 HydrophobicContact CB-CD2 3.28Å; A234-Y440 HydrophobicContact CB-CE1 4.47Å; A234-Y440 HydrophobicContact CB-CE2 3.67Å; A234-Y440 HydrophobicContact CB-CG 3.61Å
235	S	97.4	Very high	95.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.			trans	-60.8	143.1	174.4	54.6	0	0	0	0	111.9	E238 F240 G242 W243 D279	S235-E238 WeakPolarHBondContact CB-O 3.39Å; S235-F240 PolarHBondContact OG-O 3.39Å; S235-G242 PolarHBondContact O-N 3.46Å; S235-G242 PolarHBondContact OG-N 3.23Å; S235-W243 PolarHBondContact N-O 3.04Å; S235-W243 WeakPolarHBondContact OG-CA 3.31Å; S235-W243 VanDerWaalsContact OG-CB 3.27Å; S235-W243 WeakPolarHBondContact OG-CB 3.36Å; S235-W243 PolarHBondContact OG-N 2.91Å; S235-D279 WeakPolarHBondContact CA-OD1 3.47Å
236	W	97.8	Very high	95.2	Very high	26 Å²	26	19.9 Å²	19.9	10%	0.098	10%	0.102	C	C	.	.	S	Bend	trans	-84.8	-52.5	172.7	172.7	30.7	0	0	0	111.3	P241 P277 D279 V280 Q430 L431 Y436	W236-P241 WeakPolarHBondContact O-CA 3.39Å; W236-P241 WeakPolarHBondContact O-CB 3.29Å; W236-P277 HydrophobicContact CB-CB 3.66Å; W236-P277 HydrophobicContact CB-CG 3.75Å; W236-D279 PolarHBondContact N-OD1 3.24Å; W236-D279 PolarHBondContact N-OD2 2.94Å; W236-V280 HydrophobicContact CE3-CG2 3.95Å; W236-Q430 HydrophobicContact CH2-CB 3.7Å; W236-Q430 HydrophobicContact CZ2-CB 4.36Å; W236-Q430 WeakPolarHBondContact CZ2-O 3.49Å; W236-L431 HydrophobicContact CB-CD1 4.19Å; W236-L431 VanDerWaalsContact CD1-CD1 3.44Å; W236-L431 HydrophobicContact CD2-CD1 3.44Å; W236-L431 VanDerWaalsContact CD2-CD1 3.44Å; W236-L431 VanDerWaalsContact CE2-CD1 3.44Å; W236-L431 HydrophobicContact CE3-CD1 4.14Å; W236-L431 HydrophobicContact CG-CD1 3.44Å; W236-L431 VanDerWaalsContact CG-CD1 3.44Å; W236-L431 HydrophobicContact CH2-CB 4.34Å; W236-L431 HydrophobicContact CZ2-CB 4.24Å; W236-L431 HydrophobicContact CZ2-CD1 4.13Å; W236-Y436 HydrophobicContact CB-CD2 4.09Å; W236-Y436 HydrophobicContact CB-CE2 4.19Å; W236-Y436 HydrophobicContact CG-CD2 4.44Å
237	K	95.2	Very high	94.6	Very high	83 Å²	83	25.4 Å²	25.4	36%	0.361	13%	0.127	S	C	.	.	S	Bend	trans	-118.4	-46	-176.7	-67.1	179.6	-179.3	171.5	0	112.3	F240 D279 N425	K237-F240 CarbonylContact O-C 3.53Å; K237-F240 VanDerWaalsContact O-CA 3.25Å; K237-F240 WeakPolarHBondContact O-CA 3.49Å; K237-F240 PolarHBondContact O-N 2.77Å; K237-D279 WeakPolarHBondContact CA-OD2 3.47Å; K237-D279 PolarHBondContact N-OD2 3.37Å; K237-N425 PolarHBondContact NZ-ND2 3.5Å; K237-N425 VanDerWaalsContact NZ-ND2 3.14Å
238	E	91.9	Very high	93.9	Very high	37 Å²	37	29.6 Å²	29.6	17%	0.173	15%	0.149	C	C	.	.	S	Bend	trans	-122.3	145.3	-164.9	-64.3	-160.3	133.6	0	0	114.7	K29 R32 K67 S235 F240 D279	K29-E238 WeakPolarHBondContact CD-OE2 3.42Å; K29-E238 WeakPolarHBondContact CE-OE2 3.3Å; K29-E238 IonicContact NZ-OE1 2.61Å; K29-E238 IonicContact NZ-OE2 3.09Å; K29-E238 PolarHBondContact NZ-OE2 3.22Å; R32-E238 IonicContact CZ-OE1 3.05Å; R32-E238 IonicContact CZ-OE2 2.7Å; R32-E238 IonicContact NH1-OE1 3.81Å; R32-E238 PolarHBondContact NH1-OE1 2.97Å; R32-E238 IonicContact NH1-OE2 2.7Å; R32-E238 VanDerWaalsContact NH2-CD 3.26Å; R32-E238 IonicContact NH2-OE1 3.91Å; R32-E238 PolarHBondContact NH2-OE1 3.31Å; R32-E238 IonicContact NH2-OE2 3.6Å; R32-E238 PolarHBondContact NH2-OE2 3.35Å; K67-E238 IonicContact NZ-OE1 2.87Å; S235-E238 WeakPolarHBondContact CB-O 3.39Å; E238-F240 VanDerWaalsContact C-N 3.25Å; E238-D279 HydrophobicContact CB-CB 4.36Å; E238-D279 PolarHBondContact N-OD2 2.92Å; E238-D279 WeakPolarHBondContact O-CB 3.44Å
239	P	84.6	Confident	93.1	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.052	17%	0.165	C	C	.	.	S	Bend	cis	-69.3	-19.1	-4	28.1	-35.2	0	0	0	113.6	L64	L64-P239 VanDerWaalsContact CD1-CD 3.43Å; L64-P239 HydrophobicContact CD1-CG 3.3Å; L64-P239 HydrophobicContact CG-CG 4.12Å; L64-P239 WeakPolarHBondContact O-CG 3.34Å
240	F	92.4	Very high	92.6	Very high	40 Å²	40	31.6 Å²	31.6	18%	0.175	17%	0.168	C	C	.	.	S	Bend	trans	-154.9	157.2	166.5	43.9	-94.9	0	0	0	109.6	K63 S235 K237 E238 W243 Y447	K63-F240 HydrophobicContact CD-CZ 4.23Å; K63-F240 HydrophobicContact CG-CE1 4.16Å; K63-F240 HydrophobicContact CG-CZ 3.81Å; S235-F240 PolarHBondContact OG-O 3.39Å; K237-F240 CarbonylContact O-C 3.53Å; K237-F240 VanDerWaalsContact O-CA 3.25Å; K237-F240 WeakPolarHBondContact O-CA 3.49Å; K237-F240 PolarHBondContact O-N 2.77Å; E238-F240 VanDerWaalsContact C-N 3.25Å; F240-W243 HydrophobicContact CD2-CB 3.91Å; F240-W243 HydrophobicContact CE2-CB 3.48Å; F240-W243 VanDerWaalsContact CE2-CB 3.48Å; F240-W243 AromaticContact CE2-CD1 3.39Å; F240-W243 AromaticContact CE2-CG 3.74Å; F240-W243 HydrophobicContact CE2-CG 3.74Å; F240-W243 HydrophobicContact CZ-CB 4.06Å; F240-W243 AromaticContact CZ-CD1 3.28Å; F240-W243 AromaticContact CZ-CG 3.86Å; F240-W243 HydrophobicContact CZ-CG 3.86Å; F240-Y447 HydrophobicContact CD2-CE2 4.24Å; F240-Y447 AromaticContact CD2-CZ 3.95Å; F240-Y447 WeakPolarHBondContact CD2-OH 3.46Å; F240-Y447 AromaticContact CE2-CE1 3.9Å; F240-Y447 HydrophobicContact CE2-CE1 3.9Å; F240-Y447 AromaticContact CE2-CE2 3.69Å; F240-Y447 HydrophobicContact CE2-CE2 3.69Å; F240-Y447 AromaticContact CE2-CZ 3.32Å; F240-Y447 WeakPolarHBondContact CE2-OH 3.35Å; F240-Y447 HydrophobicContact CZ-CE1 4.4Å
241	P	96.3	Very high	92.4	Very high	64 Å²	64	31.4 Å²	31.4	42%	0.416	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	140	-177.3	-26	35.3	0	0	0	113.9	W236 W243 N439	W236-P241 WeakPolarHBondContact O-CA 3.39Å; W236-P241 WeakPolarHBondContact O-CB 3.29Å; P241-W243 VanDerWaalsContact C-N 3.31Å; P241-W243 PolarHBondContact O-N 3.14Å; P241-N439 HydrophobicContact CB-CB 4.33Å
242	G	96.1	Very high	92.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	10.8	174.5	0	0	0	0	0	115	S235 I244 N439 G443 Y447	S235-G242 PolarHBondContact O-N 3.46Å; S235-G242 PolarHBondContact OG-N 3.23Å; G242-I244 PolarHBondContact O-N 3.3Å; G242-N439 WeakPolarHBondContact CA-O 3.49Å; G242-G443 WeakPolarHBondContact O-CA 3.4Å; G242-Y447 WeakPolarHBondContact O-CD2 3.22Å
243	W	96.3	Very high	92.2	Very high	8 Å²	8	30.1 Å²	30.1	3%	0.03	16%	0.163	C	C	.	.			trans	-66.1	130.1	176.2	-175	75.2	0	0	0	111.4	F21 V25 L64 A234 S235 F240 P241 D245	F21-W243 HydrophobicContact CD2-CE3 4.47Å; F21-W243 AromaticContact CD2-CH2 3.95Å; F21-W243 HydrophobicContact CD2-CH2 3.95Å; F21-W243 AromaticContact CD2-CZ3 3.56Å; F21-W243 HydrophobicContact CD2-CZ3 3.56Å; F21-W243 AromaticContact CE2-CE3 3.76Å; F21-W243 HydrophobicContact CE2-CE3 3.76Å; F21-W243 HydrophobicContact CE2-CH2 4.06Å; F21-W243 AromaticContact CE2-CZ3 3.26Å; F21-W243 HydrophobicContact CE2-CZ3 3.26Å; F21-W243 HydrophobicContact CZ-CZ3 4.38Å; V25-W243 HydrophobicContact CG2-CE3 3.93Å; V25-W243 HydrophobicContact CG2-CH2 4.15Å; V25-W243 HydrophobicContact CG2-CZ3 3.31Å; L64-W243 HydrophobicContact CB-CD2 4.49Å; L64-W243 HydrophobicContact CB-CH2 4.33Å; L64-W243 HydrophobicContact CB-CZ2 3.62Å; L64-W243 HydrophobicContact CD1-CD2 3.45Å; L64-W243 VanDerWaalsContact CD1-CD2 3.45Å; L64-W243 HydrophobicContact CD1-CE3 3.49Å; L64-W243 VanDerWaalsContact CD1-CE3 3.49Å; L64-W243 HydrophobicContact CD1-CG 4.19Å; L64-W243 HydrophobicContact CD1-CH2 3.69Å; L64-W243 HydrophobicContact CD1-CZ2 3.65Å; L64-W243 HydrophobicContact CD1-CZ3 3.62Å; L64-W243 HydrophobicContact CD2-CH2 3.76Å; L64-W243 HydrophobicContact CD2-CZ2 3.91Å; L64-W243 HydrophobicContact CD2-CZ3 4.31Å; L64-W243 HydrophobicContact CG-CH2 4.15Å; L64-W243 HydrophobicContact CG-CZ2 3.93Å; A234-W243 VanDerWaalsContact CA-O 3.29Å; A234-W243 WeakPolarHBondContact CA-O 3.28Å; A234-W243 WeakPolarHBondContact CB-O 3.48Å; S235-W243 PolarHBondContact N-O 3.04Å; S235-W243 WeakPolarHBondContact OG-CA 3.31Å; S235-W243 VanDerWaalsContact OG-CB 3.27Å; S235-W243 WeakPolarHBondContact OG-CB 3.36Å; S235-W243 PolarHBondContact OG-N 2.91Å; F240-W243 HydrophobicContact CD2-CB 3.91Å; F240-W243 HydrophobicContact CE2-CB 3.48Å; F240-W243 VanDerWaalsContact CE2-CB 3.48Å; F240-W243 AromaticContact CE2-CD1 3.39Å; F240-W243 AromaticContact CE2-CG 3.74Å; F240-W243 HydrophobicContact CE2-CG 3.74Å; F240-W243 HydrophobicContact CZ-CB 4.06Å; F240-W243 AromaticContact CZ-CD1 3.28Å; F240-W243 AromaticContact CZ-CG 3.86Å; F240-W243 HydrophobicContact CZ-CG 3.86Å; P241-W243 VanDerWaalsContact C-N 3.31Å; P241-W243 PolarHBondContact O-N 3.14Å; W243-D245 HydrophobicContact CH2-CB 4.23Å; W243-D245 HydrophobicContact CZ2-CB 3.86Å
244	I	94.9	Very high	92.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.164	C	C	.	.			trans	-160.2	139.3	178.2	-178.8	65.8	0	0	0	108.2	F21 A234 G242 N246 S251 Y440 T444 Y447 V448	F21-I244 HydrophobicContact CD1-CD1 4.46Å; F21-I244 HydrophobicContact CD2-CD1 4.14Å; F21-I244 HydrophobicContact CE1-CD1 3.85Å; F21-I244 HydrophobicContact CE2-CD1 3.5Å; F21-I244 VanDerWaalsContact CE2-CD1 3.5Å; F21-I244 HydrophobicContact CZ-CD1 3.34Å; A234-I244 HydrophobicContact CB-CB 3.98Å; A234-I244 HydrophobicContact CB-CG2 4.26Å; G242-I244 PolarHBondContact O-N 3.3Å; I244-N246 WeakPolarHBondContact CD1-ND2 3.09Å; I244-S251 WeakPolarHBondContact CG1-OG 3.43Å; I244-Y440 HydrophobicContact CB-CE2 4.48Å; I244-Y440 HydrophobicContact CG1-CE2 4.33Å; I244-Y440 HydrophobicContact CG2-CD2 4.46Å; I244-Y440 HydrophobicContact CG2-CE2 4.27Å; I244-T444 HydrophobicContact CG2-CG2 4.3Å; I244-Y447 WeakPolarHBondContact O-CB 3.34Å; I244-V448 HydrophobicContact CG1-CG2 4.28Å; I244-V448 HydrophobicContact CG2-CG2 3.85Å; I244-V448 WeakPolarHBondContact O-CG2 3.5Å
245	D	91.3	Very high	92.1	Very high	55 Å²	55	30.9 Å²	30.9	29%	0.294	17%	0.167	S	C	.	.			trans	-123.1	10.6	-173.5	75.4	-19.6	0	0	0	114	F21 K24 W243	F21-D245 VanDerWaalsContact CD2-OD1 3.31Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.23Å; K24-D245 IonicContact NZ-OD2 3.71Å; K24-D245 PolarHBondContact NZ-OD2 3.14Å; W243-D245 HydrophobicContact CH2-CB 4.23Å; W243-D245 HydrophobicContact CZ2-CB 3.86Å
246	N	89.8	Confident	92.1	Very high	21 Å²	21	31.5 Å²	31.5	11%	0.112	17%	0.172	C	C	.	.			trans	-143.1	159.1	-172.6	64.7	79.4	0	0	0	113.1	F21 I244 N248 S251	F21-N246 WeakPolarHBondContact CB-ND2 3.44Å; F21-N246 WeakPolarHBondContact CD2-ND2 3.46Å; F21-N246 VanDerWaalsContact CG-ND2 3.27Å; F21-N246 WeakPolarHBondContact CG-ND2 3.49Å; I244-N246 WeakPolarHBondContact CD1-ND2 3.09Å; N246-N248 VanDerWaalsContact C-N 3.33Å; N246-N248 WeakPolarHBondContact OD1-CB 3.48Å; N246-N248 PolarHBondContact OD1-N 3.38Å; N246-N248 VanDerWaalsContact OD1-N 3.11Å; N246-S251 VanDerWaalsContact O-CB 3.25Å; N246-S251 WeakPolarHBondContact O-CB 3.27Å
247	F	87.4	Confident	92	Very high	116 Å²	116	30.3 Å²	30.3	51%	0.509	17%	0.168	S	C	.	.			trans	-90.1	5.7	175.7	-69.8	-92.1	0	0	0	112.9	G252 I255 V448 L449	F247-G252 WeakPolarHBondContact O-CA 3.34Å; F247-G252 PolarHBondContact O-N 3.37Å; F247-I255 HydrophobicContact CD1-CD1 3.73Å; F247-I255 HydrophobicContact CE1-CD1 3.62Å; F247-V448 HydrophobicContact CD1-CG1 3.73Å; F247-V448 HydrophobicContact CD2-CG1 3.71Å; F247-V448 HydrophobicContact CE1-CG1 3.47Å; F247-V448 VanDerWaalsContact CE1-CG1 3.47Å; F247-V448 HydrophobicContact CE2-CG1 3.44Å; F247-V448 VanDerWaalsContact CE2-CG1 3.44Å; F247-V448 HydrophobicContact CG-CG1 3.85Å; F247-V448 HydrophobicContact CZ-CG1 3.32Å; F247-L449 HydrophobicContact CE1-CD2 4.12Å; F247-L449 HydrophobicContact CZ-CD2 4.26Å
248	N	83.9	Confident	92.1	Very high	88 Å²	88	26.3 Å²	26.3	47%	0.471	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	150.6	-171.5	-59.6	-33.6	0	0	0	111.1	I115 N246 S251	I115-N248 HydrophobicContact CD1-CB 4.34Å; I115-N248 WeakPolarHBondContact CD1-ND2 3.41Å; N246-N248 VanDerWaalsContact C-N 3.33Å; N246-N248 WeakPolarHBondContact OD1-CB 3.48Å; N246-N248 PolarHBondContact OD1-N 3.38Å; N246-N248 VanDerWaalsContact OD1-N 3.11Å; N248-S251 PolarHBondContact O-N 3.39Å
249	G	80.8	Confident	92.3	Very high	33 Å²	33	26.1 Å²	26.1	34%	0.34	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-127.3	176.1	0	0	0	0	0	113.3	S251	G249-S251 VanDerWaalsContact C-N 3.33Å; G249-S251 PolarHBondContact O-N 2.96Å
250	P	87.9	Confident	92.8	Very high	15 Å²	15	25.8 Å²	25.8	10%	0.097	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-32.3	-174.1	18.5	-26.6	0	0	0	114.1	I231 G252 I253 F254 L275 Y440	I231-P250 HydrophobicContact CG2-CG 3.69Å; P250-G252 PolarHBondContact O-N 3.25Å; P250-I253 PolarHBondContact O-N 3.13Å; P250-I253 VanDerWaalsContact O-N 3.13Å; P250-F254 HydrophobicContact CB-CE1 3.93Å; P250-F254 HydrophobicContact CB-CE2 4.02Å; P250-F254 HydrophobicContact CB-CZ 3.66Å; P250-F254 VanDerWaalsContact O-CD1 3.24Å; P250-F254 WeakPolarHBondContact O-CD1 3.38Å; P250-F254 VanDerWaalsContact O-CG 3.22Å; P250-F254 WeakPolarHBondContact O-CG 3.38Å; P250-F254 PolarHBondContact O-N 2.9Å; P250-L275 HydrophobicContact CB-CD2 4.31Å; P250-L275 HydrophobicContact CG-CD2 4.03Å; P250-Y440 HydrophobicContact CG-CE1 4.43Å; P250-Y440 WeakPolarHBondContact CG-OH 3.31Å
251	S	92.9	Very high	92.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-57.1	-46.1	-177.1	-55.6	0	0	0	0	112.7	I244 N246 N248 G249 F254 I255 Y440	I244-S251 WeakPolarHBondContact CG1-OG 3.43Å; N246-S251 VanDerWaalsContact O-CB 3.25Å; N246-S251 WeakPolarHBondContact O-CB 3.27Å; N248-S251 PolarHBondContact O-N 3.39Å; G249-S251 VanDerWaalsContact C-N 3.33Å; G249-S251 PolarHBondContact O-N 2.96Å; S251-F254 PolarHBondContact O-N 3.47Å; S251-I255 VanDerWaalsContact O-CG1 3.3Å; S251-I255 WeakPolarHBondContact O-CG1 3.38Å; S251-I255 PolarHBondContact O-N 3.22Å; S251-Y440 PolarHBondContact N-OH 3.19Å; S251-Y440 PolarHBondContact OG-OH 2.68Å
252	G	93.4	Very high	92.9	Very high	20 Å²	20	22.5 Å²	22.5	21%	0.206	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-37.8	178.5	0	0	0	0	0	113	F247 P250 A256	F247-G252 WeakPolarHBondContact O-CA 3.34Å; F247-G252 PolarHBondContact O-N 3.37Å; P250-G252 PolarHBondContact O-N 3.25Å; G252-A256 WeakPolarHBondContact O-CB 3.19Å; G252-A256 PolarHBondContact O-N 2.86Å
253	I	93.1	Very high	92.9	Very high	16 Å²	16	24.1 Å²	24.1	8%	0.082	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-43.6	176.7	-64.1	-59.9	0	0	0	110.8	P250 A256 A257 L262 M265 L387 M391 L394	P250-I253 PolarHBondContact O-N 3.13Å; P250-I253 VanDerWaalsContact O-N 3.13Å; I253-A256 PolarHBondContact O-N 3.13Å; I253-A257 WeakPolarHBondContact O-CB 3.33Å; I253-A257 PolarHBondContact O-N 3.25Å; I253-L262 HydrophobicContact CG2-CD2 3.63Å; I253-M265 HydrophobicContact CG2-SD 4.23Å; I253-L387 HydrophobicContact CD1-CD1 4.22Å; I253-M391 HydrophobicContact CD1-CG 4.34Å; I253-L394 HydrophobicContact CD1-CD1 4.04Å; I253-L394 HydrophobicContact CG1-CD1 3.68Å
254	F	95.6	Very high	92.9	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.013	13%	0.132	C	C	.	.	H	α-helix	trans	-65	-43.6	179.3	-63.5	-2.1	0	0	0	110.9	P250 S251 A256 A257 G258 V321 I325 F329 M437 Y440	P250-F254 HydrophobicContact CB-CE1 3.93Å; P250-F254 HydrophobicContact CB-CE2 4.02Å; P250-F254 HydrophobicContact CB-CZ 3.66Å; P250-F254 VanDerWaalsContact O-CD1 3.24Å; P250-F254 WeakPolarHBondContact O-CD1 3.38Å; P250-F254 VanDerWaalsContact O-CG 3.22Å; P250-F254 WeakPolarHBondContact O-CG 3.38Å; P250-F254 PolarHBondContact O-N 2.9Å; S251-F254 PolarHBondContact O-N 3.47Å; F254-A256 PolarHBondContact O-N 3.11Å; F254-A257 PolarHBondContact O-N 2.92Å; F254-G258 PolarHBondContact O-N 3.08Å; F254-V321 HydrophobicContact CE1-CG1 4.09Å; F254-V321 HydrophobicContact CZ-CG1 4.21Å; F254-I325 HydrophobicContact CD1-CD1 3.3Å; F254-I325 HydrophobicContact CD1-CG1 4.14Å; F254-I325 HydrophobicContact CE1-CD1 3.4Å; F254-I325 VanDerWaalsContact CE1-CD1 3.4Å; F254-I325 HydrophobicContact CE1-CG1 4.36Å; F254-I325 HydrophobicContact CG-CD1 4.02Å; F254-I325 HydrophobicContact CG-CG1 4.38Å; F254-I325 HydrophobicContact CZ-CD1 4.15Å; F254-F329 HydrophobicContact CB-CE2 4.38Å; F254-F329 VanDerWaalsContact O-CE2 3.23Å; F254-F329 WeakPolarHBondContact O-CE2 3.23Å; F254-M437 HydrophobicContact CD2-CE 4.34Å; F254-M437 HydrophobicContact CE2-CE 3.53Å; F254-M437 HydrophobicContact CE2-SD 4.42Å; F254-M437 HydrophobicContact CZ-CE 3.65Å; F254-Y440 HydrophobicContact CD2-CD1 4.31Å; F254-Y440 HydrophobicContact CD2-CE1 4.2Å; F254-Y440 HydrophobicContact CD2-CE2 4.47Å; F254-Y440 AromaticContact CE2-CD1 3.74Å; F254-Y440 HydrophobicContact CE2-CD1 3.74Å; F254-Y440 AromaticContact CE2-CE1 3.6Å; F254-Y440 HydrophobicContact CE2-CE1 3.6Å; F254-Y440 HydrophobicContact CE2-CG 4.34Å
255	I	96.1	Very high	92.9	Very high	14 Å²	14	24 Å²	24	7%	0.072	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-46.1	173.5	-71	167.8	0	0	0	110.9	F247 S251 A257 G258 K259 L334 T444 V448 L449	F247-I255 HydrophobicContact CD1-CD1 3.73Å; F247-I255 HydrophobicContact CE1-CD1 3.62Å; S251-I255 VanDerWaalsContact O-CG1 3.3Å; S251-I255 WeakPolarHBondContact O-CG1 3.38Å; S251-I255 PolarHBondContact O-N 3.22Å; I255-A257 VanDerWaalsContact C-N 3.29Å; I255-A257 PolarHBondContact O-N 3.48Å; I255-G258 PolarHBondContact O-N 3.31Å; I255-K259 HydrophobicContact CG2-CG 4.3Å; I255-K259 WeakPolarHBondContact O-CB 3.47Å; I255-K259 WeakPolarHBondContact O-CG 3.28Å; I255-K259 PolarHBondContact O-N 3.07Å; I255-L334 HydrophobicContact CG2-CD1 4.46Å; I255-T444 HydrophobicContact CG1-CG2 4.31Å; I255-V448 HydrophobicContact CD1-CB 4.11Å; I255-V448 HydrophobicContact CD1-CG1 3.57Å; I255-L449 HydrophobicContact CD1-CD1 4.49Å; I255-L449 HydrophobicContact CD1-CD2 4.3Å; I255-L449 HydrophobicContact CD1-CG 4.16Å; I255-L449 HydrophobicContact CG1-CD1 4.23Å; I255-L449 HydrophobicContact CG1-CG 4.43Å; I255-L449 HydrophobicContact CG2-CD1 4.07Å; I255-L449 HydrophobicContact CG2-CD2 4.06Å; I255-L449 HydrophobicContact CG2-CG 4.45Å
256	A	96	Very high	93.1	Very high	12 Å²	12	23.4 Å²	23.4	10%	0.099	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-37.7	178.8	0	0	0	0	0	112	G252 I253 F254 G260 I261 L262 L387	G252-A256 WeakPolarHBondContact O-CB 3.19Å; G252-A256 PolarHBondContact O-N 2.86Å; I253-A256 PolarHBondContact O-N 3.13Å; F254-A256 PolarHBondContact O-N 3.11Å; A256-G260 PolarHBondContact O-N 3.17Å; A256-I261 PolarHBondContact O-N 3.06Å; A256-L262 HydrophobicContact CB-CB 3.88Å; A256-L262 PolarHBondContact O-N 3.37Å; A256-L387 HydrophobicContact CB-CD1 3.9Å
257	A	96.6	Very high	93.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-66.4	-46.4	173.5	0	0	0	0	0	111.7	I253 F254 I255 K259 G260 L262 I325 V343	I253-A257 WeakPolarHBondContact O-CB 3.33Å; I253-A257 PolarHBondContact O-N 3.25Å; F254-A257 PolarHBondContact O-N 2.92Å; I255-A257 VanDerWaalsContact C-N 3.29Å; I255-A257 PolarHBondContact O-N 3.48Å; A257-K259 VanDerWaalsContact C-N 3.35Å; A257-K259 PolarHBondContact O-N 2.92Å; A257-G260 WeakPolarHBondContact O-CA 3.39Å; A257-G260 PolarHBondContact O-N 3.17Å; A257-L262 HydrophobicContact CB-CB 4.47Å; A257-L262 HydrophobicContact CB-CD2 4.35Å; A257-I325 HydrophobicContact CB-CG2 3.79Å; A257-V343 HydrophobicContact CB-CB 4.05Å; A257-V343 HydrophobicContact CB-CG1 3.93Å
258	G	96.6	Very high	93.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.3	-31.3	177.9	0	0	0	0	0	114	F254 I255 G260 F329 P341	F254-G258 PolarHBondContact O-N 3.08Å; I255-G258 PolarHBondContact O-N 3.31Å; G258-G260 PolarHBondContact O-N 3.22Å; G258-F329 VanDerWaalsContact CA-CD2 3.41Å; G258-P341 WeakPolarHBondContact O-CG 3.25Å
259	K	95.9	Very high	93.9	Very high	33 Å²	33	16.8 Å²	16.8	14%	0.143	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.9	171.1	-64.4	-77.4	179.2	177.2	0	112.1	I255 A257 I261 L334 E335 F338 R339 E451	I255-K259 HydrophobicContact CG2-CG 4.3Å; I255-K259 WeakPolarHBondContact O-CB 3.47Å; I255-K259 WeakPolarHBondContact O-CG 3.28Å; I255-K259 PolarHBondContact O-N 3.07Å; A257-K259 VanDerWaalsContact C-N 3.35Å; A257-K259 PolarHBondContact O-N 2.92Å; K259-I261 HydrophobicContact CB-CD1 4.02Å; K259-I261 HydrophobicContact CB-CG1 3.99Å; K259-I261 PolarHBondContact O-N 3.44Å; K259-L334 HydrophobicContact CD-CB 4.08Å; K259-L334 HydrophobicContact CD-CD1 4.31Å; K259-L334 HydrophobicContact CG-CD1 4.01Å; K259-E335 PolarHBondContact NZ-O 3.34Å; K259-F338 WeakPolarHBondContact O-CB 3.39Å; K259-F338 PolarHBondContact O-N 3.07Å; K259-R339 PolarHBondContact O-N 3.22Å; K259-E451 IonicContact NZ-OE1 2.68Å; K259-E451 PolarHBondContact NZ-OE1 3.19Å
260	G	95.4	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.8	-175.9	0	0	0	0	0	114	A256 A257 G258 R263 R339	A256-G260 PolarHBondContact O-N 3.17Å; A257-G260 WeakPolarHBondContact O-CA 3.39Å; A257-G260 PolarHBondContact O-N 3.17Å; G258-G260 PolarHBondContact O-N 3.22Å; G260-R263 WeakPolarHBondContact O-CD 3.29Å; G260-R339 WeakPolarHBondContact CA-O 3.5Å; G260-R339 PolarHBondContact O-NE 2.96Å; G260-R339 PolarHBondContact O-NH2 2.94Å
261	I	95.6	Very high	94.8	Very high	35 Å²	35	19.8 Å²	19.8	18%	0.179	11%	0.107	C	C	.	.			trans	-76.4	-50.5	173.5	-61.3	175.1	0	0	0	108.2	A256 K259 F338 R339 H360 M380 T383 I384 L387	A256-I261 PolarHBondContact O-N 3.06Å; K259-I261 HydrophobicContact CB-CD1 4.02Å; K259-I261 HydrophobicContact CB-CG1 3.99Å; K259-I261 PolarHBondContact O-N 3.44Å; I261-F338 HydrophobicContact CG1-CB 4.2Å; I261-R339 PolarHBondContact O-NH2 3.15Å; I261-H360 PolarHBondContact O-CD2 3.39Å; I261-M380 HydrophobicContact CG2-CE 4.19Å; I261-T383 HydrophobicContact CD1-CG2 4.48Å; I261-T383 HydrophobicContact CG2-CG2 4.38Å; I261-I384 HydrophobicContact CG2-CD1 3.75Å; I261-L387 HydrophobicContact CG2-CD2 3.9Å
262	L	96.4	Very high	95	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.114	C	C	.	.			trans	-78.8	127.9	171.9	-177.1	65.6	0	0	0	110.5	I253 A256 A257 T264 M265 V343 L387 M391	I253-L262 HydrophobicContact CG2-CD2 3.63Å; A256-L262 HydrophobicContact CB-CB 3.88Å; A256-L262 PolarHBondContact O-N 3.37Å; A257-L262 HydrophobicContact CB-CB 4.47Å; A257-L262 HydrophobicContact CB-CD2 4.35Å; L262-T264 VanDerWaalsContact CD1-O 3.29Å; L262-T264 WeakPolarHBondContact CD1-O 3.12Å; L262-M265 HydrophobicContact CD1-CB 4.42Å; L262-V343 HydrophobicContact CD2-CG2 4.06Å; L262-V343 HydrophobicContact CG-CG2 3.93Å; L262-L387 HydrophobicContact CB-CD2 4.05Å; L262-L387 HydrophobicContact CD1-CD1 4.32Å; L262-L387 HydrophobicContact CD1-CD2 4.02Å; L262-L387 HydrophobicContact CD1-CG 4.38Å; L262-M391 HydrophobicContact CD1-CE 4.03Å; L262-M391 HydrophobicContact CD1-CG 4.32Å; L262-M391 HydrophobicContact CD1-SD 3.48Å; L262-M391 WeakPolarHBondContact CD1-SD 3.44Å
263	R	96	Very high	95	Very high	33 Å²	33	20 Å²	20	13%	0.125	10%	0.104	C	C	.	.			trans	-126.1	-32.3	-175	-58	-59.3	-60.8	177.1	-5.2	112.8	G260 R340 N342 V343 N344 H360	G260-R263 WeakPolarHBondContact O-CD 3.29Å; R263-R340 PolarHBondContact NH1-O 2.95Å; R263-N342 PolarHBondContact NH1-O 3.38Å; R263-V343 CarbonylContact O-C 3.47Å; R263-V343 WeakPolarHBondContact O-CA 3.17Å; R263-N344 PolarHBondContact O-N 3.45Å; R263-H360 WeakPolarHBondContact CB-NE2 3.47Å; R263-H360 PolarHBondContact N-NE2 3.22Å
264	T	95.9	Very high	95.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.1	178.5	-168.5	0	0	0	0	109.5	L262 N344 R346 N352 W355 T356 H360 M391	L262-T264 VanDerWaalsContact CD1-O 3.29Å; L262-T264 WeakPolarHBondContact CD1-O 3.12Å; T264-N344 CarbonylContact C-O 3.5Å; T264-N344 WeakPolarHBondContact CA-O 3.5Å; T264-R346 WeakPolarHBondContact OG1-CD 3.28Å; T264-R346 PolarHBondContact OG1-NE 3.17Å; T264-N352 PolarHBondContact OG1-OD1 3.18Å; T264-W355 HydrophobicContact CG2-CB 3.81Å; T264-T356 WeakPolarHBondContact CG2-OG1 3.21Å; T264-H360 PolarHBondContact N-NE2 3.22Å; T264-H360 PolarHBondContact O-CE1 3.13Å; T264-M391 WeakPolarHBondContact O-CE 3.24Å
265	M	94.6	Very high	95.1	Very high	6 Å²	6	19 Å²	19	3%	0.03	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.5	171.7	-175.9	177.4	84.8	0	0	109.8	I253 L262 A267 N344 L345 R346 N352 M391 T398	I253-M265 HydrophobicContact CG2-SD 4.23Å; L262-M265 HydrophobicContact CD1-CB 4.42Å; M265-A267 HydrophobicContact CE-CB 4.42Å; M265-A267 PolarHBondContact O-N 3.16Å; M265-N344 PolarHBondContact N-O 3.44Å; M265-L345 HydrophobicContact CB-CD2 3.76Å; M265-L345 HydrophobicContact CE-CD2 3.7Å; M265-L345 HydrophobicContact CG-CD2 4.49Å; M265-L345 WeakPolarHBondContact O-CA 3.39Å; M265-R346 PolarHBondContact O-N 2.68Å; M265-N352 PolarHBondContact N-OD1 3.11Å; M265-M391 HydrophobicContact CB-CE 3.95Å; M265-M391 HydrophobicContact CG-CB 4.48Å; M265-M391 HydrophobicContact CG-CE 3.94Å; M265-M391 HydrophobicContact CG-CG 4.22Å; M265-M391 HydrophobicContact SD-CG 4.3Å; M265-T398 HydrophobicContact CE-CG2 3.74Å
266	R	94.4	Very high	95.1	Very high	42 Å²	42	18.4 Å²	18.4	16%	0.158	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	122.2	171.3	-167.8	77.7	179.1	80.1	5.5	109.1	R346 S347 E395 T398	R266-R346 PolarHBondContact NH1-O 3.41Å; R266-S347 VanDerWaalsContact CZ-C 3.42Å; R266-S347 PolarHBondContact NH1-O 2.83Å; R266-S347 PolarHBondContact NH2-O 2.99Å; R266-E395 HydrophobicContact CB-CG 3.94Å; R266-E395 HydrophobicContact CG-CG 3.73Å; R266-E395 WeakPolarHBondContact CG-OE1 3.47Å; R266-T398 PolarHBondContact O-OG1 2.88Å
267	A	93.8	Very high	95.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.			trans	-160.3	159.2	171.4	0	0	0	0	0	108.2	M265 W318 L345 R346 S347 T398	M265-A267 HydrophobicContact CE-CB 4.42Å; M265-A267 PolarHBondContact O-N 3.16Å; A267-W318 HydrophobicContact CB-CB 4.41Å; A267-W318 HydrophobicContact CB-CG 4.47Å; A267-L345 HydrophobicContact CB-CB 4.12Å; A267-L345 HydrophobicContact CB-CD1 4.19Å; A267-L345 HydrophobicContact CB-CD2 4.45Å; A267-L345 HydrophobicContact CB-CG 4.49Å; A267-R346 PolarHBondContact N-O 2.97Å; A267-R346 CarbonylContact O-C 3.58Å; A267-S347 VanDerWaalsContact O-CA 3.3Å; A267-S347 WeakPolarHBondContact O-CA 3.43Å; A267-S347 PolarHBondContact O-N 3.11Å; A267-T398 CarbonylContact C-O 3.58Å; A267-T398 VanDerWaalsContact CA-O 3.25Å; A267-T398 WeakPolarHBondContact CA-O 3.44Å; A267-T398 WeakPolarHBondContact CB-O 3.39Å
268	S	93.9	Very high	95.3	Very high	32 Å²	32	17.8 Å²	17.8	22%	0.224	9%	0.091	C	C	.	.			trans	-91.5	121	165.4	176.8	0	0	0	0	108.4	D270 A271 T398	S268-D270 PolarHBondContact O-N 3.15Å; S268-A271 WeakPolarHBondContact O-CB 3.26Å; S268-A271 PolarHBondContact O-N 3.46Å; S268-A271 VanDerWaalsContact O-N 3.07Å; S268-T398 PolarHBondContact N-O 3.21Å
269	N	90.5	Very high	95.4	Very high	54 Å²	54	18 Å²	18	29%	0.289	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.3	-178.6	-69.8	-6.4	0	0	0	112.8	G319 L345 S347	N269-G319 PolarHBondContact O-N 3.01Å; N269-G319 VanDerWaalsContact O-N 3.17Å; N269-L345 PolarHBondContact ND2-O 3.3Å; N269-L345 VanDerWaalsContact OD1-CB 3.31Å; N269-L345 WeakPolarHBondContact OD1-CB 3.4Å; N269-L345 PolarHBondContact OD1-O 3.3Å; N269-S347 PolarHBondContact N-OG 3.35Å
270	D	93.5	Very high	95.5	Very high	109 Å²	109	16.7 Å²	16.7	58%	0.583	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-14.6	176.8	-66.1	-55.3	0	0	0	113.3	S268 R317	S268-D270 PolarHBondContact O-N 3.15Å; D270-R317 IonicContact OD1-NH1 2.95Å; D270-R317 PolarHBondContact OD1-NH1 3.24Å
271	A	94.7	Very high	95.6	Very high	3 Å²	3	16.7 Å²	16.7	3%	0.025	9%	0.087	C	C	.	.	S	Bend	trans	-69	140.9	177.4	0	0	0	0	0	111	S268 A273 R317 W318 H400 S401	S268-A271 WeakPolarHBondContact O-CB 3.26Å; S268-A271 PolarHBondContact O-N 3.46Å; S268-A271 VanDerWaalsContact O-N 3.07Å; A271-A273 PolarHBondContact O-N 3.38Å; A271-R317 WeakPolarHBondContact O-CA 3.47Å; A271-W318 PolarHBondContact O-N 2.97Å; A271-H400 WeakPolarHBondContact CB-O 3.4Å; A271-S401 WeakPolarHBondContact CA-OG 3.43Å; A271-S401 VanDerWaalsContact CB-OG 3.29Å; A271-S401 WeakPolarHBondContact CB-OG 3.39Å
272	V	96.1	Very high	95.8	Very high	24 Å²	24	15 Å²	15	15%	0.145	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-69.3	124.2	175.6	-178.7	0	0	0	0	109.4	D274 F316 S401	V272-D274 PolarHBondContact O-N 3.4Å; V272-F316 CarbonylContact C-O 3.57Å; V272-S401 PolarHBondContact N-OG 3Å
273	A	94.8	Very high	95.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.			trans	-86.5	88.1	169	0	0	0	0	0	108.6	A271 L275 F316 W318 V321	A271-A273 PolarHBondContact O-N 3.38Å; A273-L275 PolarHBondContact O-N 3.48Å; A273-F316 WeakPolarHBondContact CA-O 3.48Å; A273-F316 WeakPolarHBondContact CB-O 3.13Å; A273-F316 PolarHBondContact N-O 2.84Å; A273-W318 HydrophobicContact CB-CD2 3.55Å; A273-W318 VanDerWaalsContact CB-CE2 3.45Å; A273-W318 HydrophobicContact CB-CE3 3.9Å; A273-W318 HydrophobicContact CB-CG 4Å; A273-W318 HydrophobicContact CB-CH2 4.09Å; A273-W318 HydrophobicContact CB-CZ2 3.76Å; A273-W318 HydrophobicContact CB-CZ3 4.15Å; A273-V321 HydrophobicContact CB-CG2 3.71Å
274	D	94.6	Very high	96	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.			trans	-70.8	71.8	179.4	-100.4	-66.8	0	0	0	112	Y155 S230 I231 V272 T310 G311 W404	Y155-D274 WeakPolarHBondContact OH-CB 3.38Å; S230-D274 VanDerWaalsContact CB-O 3.25Å; S230-D274 WeakPolarHBondContact CB-O 3.33Å; S230-D274 PolarHBondContact OG-O 2.92Å; I231-D274 VanDerWaalsContact CB-O 3.32Å; I231-D274 WeakPolarHBondContact CB-O 3.45Å; I231-D274 PolarHBondContact N-O 3.29Å; V272-D274 PolarHBondContact O-N 3.4Å; D274-T310 PolarHBondContact OD1-N 3.37Å; D274-G311 VanDerWaalsContact OD1-CA 3.24Å; D274-G311 WeakPolarHBondContact OD1-CA 3.43Å; D274-G311 PolarHBondContact OD1-N 3.01Å; D274-W404 PolarHBondContact OD2-NE1 2.56Å
275	L	95.6	Very high	96.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.9	172.4	-66.7	170.1	0	0	0	109.4	I231 P250 A273 T310 F316 V321 W433 M437	I231-L275 HydrophobicContact CB-CD2 3.96Å; I231-L275 HydrophobicContact CG2-CD2 3.64Å; I231-L275 CarbonylContact O-C 3.59Å; I231-L275 WeakPolarHBondContact O-CA 3.42Å; P250-L275 HydrophobicContact CB-CD2 4.31Å; P250-L275 HydrophobicContact CG-CD2 4.03Å; A273-L275 PolarHBondContact O-N 3.48Å; L275-T310 WeakPolarHBondContact O-CG2 3.46Å; L275-T310 PolarHBondContact O-OG1 3.16Å; L275-F316 HydrophobicContact CD1-CD1 4.22Å; L275-F316 HydrophobicContact CD1-CE1 4.26Å; L275-V321 HydrophobicContact CD1-CG2 4.45Å; L275-W433 HydrophobicContact CB-CH2 4.36Å; L275-W433 HydrophobicContact CB-CZ3 4.21Å; L275-W433 WeakPolarHBondContact O-CH2 3.38Å; L275-M437 HydrophobicContact CD1-SD 4.14Å
276	V	97.3	Very high	96.3	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.1	174	65	0	0	0	0	109.8	P229 S230 I231 V232 G233 V280 V281 T310	P229-V276 HydrophobicContact CB-CG1 4.46Å; S230-V276 WeakPolarHBondContact OG-CG1 3.29Å; I231-V276 PolarHBondContact O-N 3.25Å; V232-V276 CarbonylContact C-O 3.4Å; V232-V276 VanDerWaalsContact CA-O 3.29Å; V232-V276 WeakPolarHBondContact CA-O 3.28Å; V232-V276 HydrophobicContact CG2-CG1 4.16Å; G233-V276 PolarHBondContact N-O 3.25Å; V276-V280 HydrophobicContact CG2-CB 4.22Å; V276-V280 HydrophobicContact CG2-CG1 3.88Å; V276-V281 HydrophobicContact CB-CG2 4.23Å; V276-V281 HydrophobicContact CG1-CG2 3.53Å; V276-V281 HydrophobicContact CG2-CG2 3.66Å; V276-T310 HydrophobicContact CB-CG2 4.33Å; V276-T310 HydrophobicContact CG2-CG2 4.34Å
277	P	98.1	Very high	96.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	142.8	176.3	-22.2	33	0	0	0	112.3	A234 W236 D279 V280 V281 L431 Y436	A234-P277 WeakPolarHBondContact O-CA 3.4Å; W236-P277 HydrophobicContact CB-CB 3.66Å; W236-P277 HydrophobicContact CB-CG 3.75Å; P277-D279 VanDerWaalsContact C-N 3.3Å; P277-D279 WeakPolarHBondContact CB-OD1 3.24Å; P277-D279 PolarHBondContact O-N 3.42Å; P277-V280 HydrophobicContact CB-CB 4.3Å; P277-V280 HydrophobicContact CB-CG2 3.94Å; P277-V280 HydrophobicContact CG-CG2 3.97Å; P277-V280 WeakPolarHBondContact O-CB 3.33Å; P277-V280 PolarHBondContact O-N 3.25Å; P277-V281 PolarHBondContact O-N 2.9Å; P277-L431 HydrophobicContact CG-CD1 4.43Å; P277-L431 HydrophobicContact CG-CD2 4.14Å; P277-Y436 HydrophobicContact CB-CE2 3.96Å; P277-Y436 HydrophobicContact CG-CD2 4.28Å; P277-Y436 HydrophobicContact CG-CE2 3.69Å
278	V	97.8	Very high	96.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.4	-38.7	-178	65	0	0	0	0	113.2	F21 M22 V25 V232 G233 V281 I282	F21-V278 HydrophobicContact CD1-CG2 4.24Å; F21-V278 HydrophobicContact CE1-CB 3.74Å; F21-V278 HydrophobicContact CE1-CG1 4.26Å; F21-V278 HydrophobicContact CE1-CG2 3.8Å; F21-V278 HydrophobicContact CE2-CG1 4.26Å; F21-V278 HydrophobicContact CZ-CB 3.67Å; F21-V278 HydrophobicContact CZ-CG1 3.65Å; F21-V278 HydrophobicContact CZ-CG2 3.93Å; M22-V278 HydrophobicContact CG-CG2 4.09Å; V25-V278 HydrophobicContact CB-CG2 4.07Å; V25-V278 HydrophobicContact CG1-CG1 4.45Å; V25-V278 HydrophobicContact CG1-CG2 4.31Å; V25-V278 HydrophobicContact CG2-CG1 4.04Å; V25-V278 HydrophobicContact CG2-CG2 3.82Å; V232-V278 HydrophobicContact CG1-CB 3.66Å; V232-V278 HydrophobicContact CG1-CG2 3.96Å; G233-V278 PolarHBondContact O-N 3.47Å; V278-V281 PolarHBondContact O-N 2.93Å; V278-I282 HydrophobicContact CG2-CG1 4.4Å; V278-I282 WeakPolarHBondContact O-CG1 3.47Å; V278-I282 PolarHBondContact O-N 2.96Å
279	D	98	Very high	96.9	Very high	4 Å²	4	10 Å²	10	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-68.9	-33.8	179.1	57.2	-35.1	0	0	0	112.7	S235 W236 K237 E238 P277 I282 N283	S235-D279 WeakPolarHBondContact CA-OD1 3.47Å; W236-D279 PolarHBondContact N-OD1 3.24Å; W236-D279 PolarHBondContact N-OD2 2.94Å; K237-D279 WeakPolarHBondContact CA-OD2 3.47Å; K237-D279 PolarHBondContact N-OD2 3.37Å; E238-D279 HydrophobicContact CB-CB 4.36Å; E238-D279 PolarHBondContact N-OD2 2.92Å; E238-D279 WeakPolarHBondContact O-CB 3.44Å; P277-D279 VanDerWaalsContact C-N 3.3Å; P277-D279 WeakPolarHBondContact CB-OD1 3.24Å; P277-D279 PolarHBondContact O-N 3.42Å; D279-I282 PolarHBondContact O-N 3.28Å; D279-N283 VanDerWaalsContact O-CB 3.26Å; D279-N283 WeakPolarHBondContact O-CB 3.36Å; D279-N283 PolarHBondContact O-N 3.01Å; D279-N283 PolarHBondContact O-ND2 3.49Å
280	V	98.4	Very high	97.3	Very high	5 Å²	5	7.6 Å²	7.6	3%	0.03	4%	0.042	C	C	.	.	H	α-helix	trans	-60.8	-47.7	171	169.4	0	0	0	0	110.4	W236 V276 P277 I282 N283 A284 F426 V428	W236-V280 HydrophobicContact CE3-CG2 3.95Å; V276-V280 HydrophobicContact CG2-CB 4.22Å; V276-V280 HydrophobicContact CG2-CG1 3.88Å; P277-V280 HydrophobicContact CB-CB 4.3Å; P277-V280 HydrophobicContact CB-CG2 3.94Å; P277-V280 HydrophobicContact CG-CG2 3.97Å; P277-V280 WeakPolarHBondContact O-CB 3.33Å; P277-V280 PolarHBondContact O-N 3.25Å; V280-I282 PolarHBondContact O-N 3.05Å; V280-N283 PolarHBondContact O-N 3.28Å; V280-A284 WeakPolarHBondContact O-CB 3.13Å; V280-A284 PolarHBondContact O-N 2.9Å; V280-F426 HydrophobicContact CG1-CB 3.85Å; V280-F426 WeakPolarHBondContact O-CB 3.17Å; V280-V428 HydrophobicContact CG1-CG1 3.61Å; V280-V428 HydrophobicContact CG2-CG1 4.34Å
281	V	98.4	Very high	97.4	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-63.2	-44.2	178.9	-178.8	0	0	0	0	111.2	M22 P229 V232 V276 P277 V278 A284 T285 C308	M22-V281 HydrophobicContact CE-CB 4.34Å; M22-V281 HydrophobicContact CE-CG1 3.41Å; M22-V281 VanDerWaalsContact CE-CG1 3.41Å; P229-V281 HydrophobicContact CB-CG1 3.78Å; P229-V281 HydrophobicContact CB-CG2 3.9Å; P229-V281 HydrophobicContact CG-CG1 4.29Å; V232-V281 HydrophobicContact CG2-CG2 4.37Å; V276-V281 HydrophobicContact CB-CG2 4.23Å; V276-V281 HydrophobicContact CG1-CG2 3.53Å; V276-V281 HydrophobicContact CG2-CG2 3.66Å; P277-V281 PolarHBondContact O-N 2.9Å; V278-V281 PolarHBondContact O-N 2.93Å; V281-A284 PolarHBondContact O-N 3.42Å; V281-T285 WeakPolarHBondContact O-CB 3.28Å; V281-T285 PolarHBondContact O-N 2.93Å; V281-T285 PolarHBondContact O-OG1 3.5Å; V281-C308 HydrophobicContact CG2-CB 4.5Å
282	I	98.6	Very high	97.4	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.005	2%	0.017	C	C	.	.	H	α-helix	trans	-65.7	-41.7	-179.8	-69.6	-38.5	0	0	0	111.8	M22 V25 L26 K29 V278 D279 V280 T285 L286	M22-I282 HydrophobicContact CB-CD1 4.23Å; M22-I282 HydrophobicContact CE-CD1 4.2Å; V25-I282 HydrophobicContact CB-CG1 3.89Å; V25-I282 HydrophobicContact CG1-CB 4.16Å; V25-I282 HydrophobicContact CG1-CG1 3.71Å; V25-I282 HydrophobicContact CG1-CG2 4.36Å; L26-I282 HydrophobicContact CB-CD1 3.84Å; L26-I282 HydrophobicContact CB-CG1 4.37Å; L26-I282 HydrophobicContact CB-CG2 4.29Å; L26-I282 HydrophobicContact CD1-CD1 4.44Å; L26-I282 HydrophobicContact CD1-CG2 3.95Å; K29-I282 HydrophobicContact CB-CG2 3.82Å; K29-I282 HydrophobicContact CG-CG2 4.03Å; V278-I282 HydrophobicContact CG2-CG1 4.4Å; V278-I282 WeakPolarHBondContact O-CG1 3.47Å; V278-I282 PolarHBondContact O-N 2.96Å; D279-I282 PolarHBondContact O-N 3.28Å; V280-I282 PolarHBondContact O-N 3.05Å; I282-T285 WeakPolarHBondContact O-CB 3.48Å; I282-T285 PolarHBondContact O-N 2.87Å; I282-L286 HydrophobicContact CG2-CD1 4.17Å; I282-L286 WeakPolarHBondContact O-CG 3.3Å; I282-L286 PolarHBondContact O-N 3.31Å
283	N	98.7	Very high	97.4	Very high	5 Å²	5	1.8 Å²	1.8	3%	0.027	1%	0.01	C	C	.	.	H	α-helix	trans	-61.7	-45	176	-72.6	-13.7	0	0	0	111.4	K29 D279 V280 T285 L286 A287 F424 N425 F426	K29-N283 WeakPolarHBondContact CE-OD1 3.29Å; D279-N283 VanDerWaalsContact O-CB 3.26Å; D279-N283 WeakPolarHBondContact O-CB 3.36Å; D279-N283 PolarHBondContact O-N 3.01Å; D279-N283 PolarHBondContact O-ND2 3.49Å; V280-N283 PolarHBondContact O-N 3.28Å; N283-T285 VanDerWaalsContact C-N 3.31Å; N283-T285 PolarHBondContact O-N 2.97Å; N283-L286 PolarHBondContact O-N 2.91Å; N283-A287 WeakPolarHBondContact O-CB 3.42Å; N283-A287 PolarHBondContact O-N 2.98Å; N283-F424 HydrophobicContact CB-CB 4.24Å; N283-N425 PolarHBondContact ND2-N 3.09Å; N283-N425 PolarHBondContact ND2-O 3.05Å; N283-F426 HydrophobicContact CB-CB 4.25Å; N283-F426 HydrophobicContact CB-CD1 4.09Å
284	A	98.6	Very high	97.2	Very high	3 Å²	3	3.7 Å²	3.7	3%	0.025	2%	0.023	C	C	.	.	H	α-helix	trans	-62.6	-38.1	174.3	0	0	0	0	0	112.2	V280 V281 A287 A288 F426	V280-A284 WeakPolarHBondContact O-CB 3.13Å; V280-A284 PolarHBondContact O-N 2.9Å; V281-A284 PolarHBondContact O-N 3.42Å; A284-A287 PolarHBondContact O-N 2.84Å; A284-A288 VanDerWaalsContact O-CB 3.29Å; A284-A288 WeakPolarHBondContact O-CB 3.26Å; A284-A288 PolarHBondContact O-N 3.45Å; A284-F426 HydrophobicContact CB-CB 4.06Å; A284-F426 HydrophobicContact CB-CD1 4.05Å; A284-F426 HydrophobicContact CB-CD2 4.16Å; A284-F426 HydrophobicContact CB-CG 3.83Å
285	T	98.8	Very high	96.6	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.006	3%	0.032	C	C	.	.	H	α-helix	trans	-65.8	-44	179.3	-58.7	0	0	0	0	111.9	F109 I149 V281 I282 N283 A288 A289	F109-T285 HydrophobicContact CD1-CG2 3.76Å; F109-T285 HydrophobicContact CE1-CG2 3.76Å; I149-T285 HydrophobicContact CG2-CG2 4.03Å; V281-T285 WeakPolarHBondContact O-CB 3.28Å; V281-T285 PolarHBondContact O-N 2.93Å; V281-T285 PolarHBondContact O-OG1 3.5Å; I282-T285 WeakPolarHBondContact O-CB 3.48Å; I282-T285 PolarHBondContact O-N 2.87Å; N283-T285 VanDerWaalsContact C-N 3.31Å; N283-T285 PolarHBondContact O-N 2.97Å; T285-A288 PolarHBondContact O-N 3.47Å; T285-A289 PolarHBondContact O-N 3.17Å; T285-A289 VanDerWaalsContact O-N 3.12Å
286	L	98.8	Very high	95.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.2	-43	175.3	-70.2	172.4	0	0	0	111.2	Y8 L26 K29 L30 F109 I282 N283 A288 A289 W290 F424	Y8-L286 HydrophobicContact CE1-CD2 4.42Å; Y8-L286 HydrophobicContact CE2-CD2 4.34Å; Y8-L286 WeakPolarHBondContact OH-CA 3.24Å; Y8-L286 PolarHBondContact OH-O 3.34Å; L26-L286 HydrophobicContact CD1-CD1 4.37Å; L26-L286 HydrophobicContact CD1-CD2 3.61Å; L26-L286 HydrophobicContact CD1-CG 3.79Å; K29-L286 HydrophobicContact CB-CD1 4.21Å; K29-L286 HydrophobicContact CG-CD1 3.59Å; L30-L286 HydrophobicContact CB-CD2 4.34Å; L30-L286 HydrophobicContact CD1-CD2 4.03Å; F109-L286 HydrophobicContact CE2-CD2 4.32Å; F109-L286 HydrophobicContact CZ-CD2 3.86Å; I282-L286 HydrophobicContact CG2-CD1 4.17Å; I282-L286 WeakPolarHBondContact O-CG 3.3Å; I282-L286 PolarHBondContact O-N 3.31Å; N283-L286 PolarHBondContact O-N 2.91Å; L286-A288 VanDerWaalsContact C-N 3.33Å; L286-A288 PolarHBondContact O-N 3.38Å; L286-A289 PolarHBondContact O-N 3.43Å; L286-W290 WeakPolarHBondContact O-CB 3.49Å; L286-W290 PolarHBondContact O-N 2.96Å; L286-F424 HydrophobicContact CB-CD1 4.34Å; L286-F424 HydrophobicContact CB-CE1 4.49Å; L286-F424 HydrophobicContact CD1-CD1 4.09Å; L286-F424 HydrophobicContact CD1-CE1 3.84Å
287	A	98.5	Very high	94.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-40.3	174.4	0	0	0	0	0	111.9	I4 N283 A284 A289 W290 F291 L412 M416 F426	I4-A287 HydrophobicContact CD1-CB 3.96Å; N283-A287 WeakPolarHBondContact O-CB 3.42Å; N283-A287 PolarHBondContact O-N 2.98Å; A284-A287 PolarHBondContact O-N 2.84Å; A287-A289 PolarHBondContact O-N 2.94Å; A287-W290 WeakPolarHBondContact O-CB 3.48Å; A287-W290 PolarHBondContact O-N 3.34Å; A287-F291 WeakPolarHBondContact O-CB 3.44Å; A287-F291 PolarHBondContact O-N 3.22Å; A287-L412 HydrophobicContact CB-CD1 4.25Å; A287-L412 HydrophobicContact CB-CD2 3.77Å; A287-L412 HydrophobicContact CB-CG 4Å; A287-M416 HydrophobicContact CB-SD 4.18Å; A287-F426 HydrophobicContact CB-CE1 3.61Å; A287-F426 HydrophobicContact CB-CZ 4.17Å
288	A	98.1	Very high	92.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-40.4	178.8	0	0	0	0	0	112.3	V227 A284 T285 L286 S292 Y306 L412	V227-A288 HydrophobicContact CG2-CB 4.21Å; A284-A288 VanDerWaalsContact O-CB 3.29Å; A284-A288 WeakPolarHBondContact O-CB 3.26Å; A284-A288 PolarHBondContact O-N 3.45Å; T285-A288 PolarHBondContact O-N 3.47Å; L286-A288 VanDerWaalsContact C-N 3.33Å; L286-A288 PolarHBondContact O-N 3.38Å; A288-S292 VanDerWaalsContact O-CB 3.26Å; A288-S292 WeakPolarHBondContact O-CB 3.34Å; A288-S292 PolarHBondContact O-N 2.96Å; A288-S292 PolarHBondContact O-OG 3.14Å; A288-Y306 HydrophobicContact CB-CD2 3.9Å; A288-Y306 HydrophobicContact CB-CE2 3.66Å; A288-L412 HydrophobicContact CB-CD2 4.15Å
289	A	98.2	Very high	91.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-47.3	172.1	0	0	0	0	0	112	Y8 I107 F109 V147 I149 T285 L286 A287 F291 G293	Y8-A289 WeakPolarHBondContact OH-CB 3.4Å; I107-A289 HydrophobicContact CG2-CB 4.42Å; F109-A289 HydrophobicContact CE1-CB 3.69Å; F109-A289 HydrophobicContact CZ-CB 3.59Å; V147-A289 HydrophobicContact CG1-CB 4.11Å; I149-A289 HydrophobicContact CD1-CB 4.12Å; I149-A289 HydrophobicContact CG1-CB 3.8Å; T285-A289 PolarHBondContact O-N 3.17Å; T285-A289 VanDerWaalsContact O-N 3.12Å; L286-A289 PolarHBondContact O-N 3.43Å; A287-A289 PolarHBondContact O-N 2.94Å; A289-F291 PolarHBondContact O-N 2.93Å; A289-G293 PolarHBondContact O-N 3.2Å
290	W	97.8	Very high	90.6	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.011	16%	0.164	C	C	.	.	H	α-helix	trans	-54.3	-52	174.7	160.1	78.9	0	0	0	112.5	M1 V2 I4 Y7 L286 A287 S294 H415 M416	M1-W290 HydrophobicContact CB-CH2 4.41Å; M1-W290 HydrophobicContact CB-CZ2 3.64Å; M1-W290 HydrophobicContact CE-CH2 3.85Å; M1-W290 HydrophobicContact CE-CZ2 4.25Å; M1-W290 HydrophobicContact CG-CZ2 4.48Å; M1-W290 HydrophobicContact SD-CH2 4.22Å; M1-W290 HydrophobicContact SD-CZ2 4.16Å; V2-W290 WeakPolarHBondContact O-CZ2 3.34Å; V2-W290 PolarHBondContact O-NE1 3.46Å; I4-W290 HydrophobicContact CB-CG 4.37Å; I4-W290 HydrophobicContact CD1-CD2 4.48Å; I4-W290 HydrophobicContact CD1-CE3 4.44Å; I4-W290 HydrophobicContact CG1-CB 4.05Å; I4-W290 HydrophobicContact CG1-CD2 3.71Å; I4-W290 HydrophobicContact CG1-CE3 4.13Å; I4-W290 HydrophobicContact CG1-CG 3.66Å; I4-W290 HydrophobicContact CG2-CB 4.39Å; Y7-W290 VanDerWaalsContact CB-CD1 3.43Å; Y7-W290 HydrophobicContact CD1-CB 3.97Å; Y7-W290 HydrophobicContact CE1-CB 4.42Å; Y7-W290 HydrophobicContact CG-CB 4.37Å; Y7-W290 AromaticContact CG-CD1 3.71Å; Y7-W290 HydrophobicContact CG-CG 4.44Å; L286-W290 WeakPolarHBondContact O-CB 3.49Å; L286-W290 PolarHBondContact O-N 2.96Å; A287-W290 WeakPolarHBondContact O-CB 3.48Å; A287-W290 PolarHBondContact O-N 3.34Å; W290-S294 WeakPolarHBondContact O-CB 3.08Å; W290-S294 PolarHBondContact O-N 3.44Å; W290-S294 PolarHBondContact O-OG 3.29Å; W290-H415 HydrophobicContact CH2-CB 4.14Å; W290-H415 HydrophobicContact CZ3-CB 4.31Å; W290-M416 HydrophobicContact CH2-CG 4.48Å; W290-M416 HydrophobicContact CZ3-CG 4.01Å
291	F	96.3	Very high	89.4	Confident	9 Å²	9	44.9 Å²	44.9	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-50.9	-176.6	-179.6	-93.7	0	0	0	111.1	M1 A287 A289 S294 Q295 L304 M411 L412 H415	M1-F291 HydrophobicContact CE-CD2 3.8Å; M1-F291 HydrophobicContact CE-CE2 3.87Å; M1-F291 HydrophobicContact SD-CD2 4.06Å; M1-F291 HydrophobicContact SD-CE2 4.44Å; A287-F291 WeakPolarHBondContact O-CB 3.44Å; A287-F291 PolarHBondContact O-N 3.22Å; A289-F291 PolarHBondContact O-N 2.93Å; F291-S294 PolarHBondContact O-N 3.35Å; F291-Q295 WeakPolarHBondContact O-CG 3.23Å; F291-Q295 PolarHBondContact O-N 3.35Å; F291-L304 HydrophobicContact CD1-CD1 4.07Å; F291-L304 HydrophobicContact CE1-CD1 3.82Å; F291-M411 HydrophobicContact CD1-CE 4.41Å; F291-M411 HydrophobicContact CD2-SD 4.5Å; F291-M411 HydrophobicContact CE1-CE 3.66Å; F291-M411 HydrophobicContact CE1-SD 3.91Å; F291-M411 HydrophobicContact CE2-CE 4.43Å; F291-M411 HydrophobicContact CE2-SD 3.61Å; F291-M411 HydrophobicContact CZ-CE 3.67Å; F291-M411 HydrophobicContact CZ-SD 3.25Å; F291-M411 WeakPolarHBondContact CZ-SD 3.46Å; F291-L412 HydrophobicContact CB-CD1 3.35Å; F291-L412 HydrophobicContact CD1-CD1 4.41Å; F291-L412 HydrophobicContact CD2-CD1 4.1Å; F291-L412 HydrophobicContact CG-CD1 3.72Å; F291-H415 HydrophobicContact CD2-CB 4.21Å; F291-H415 HydrophobicContact CE2-CB 4.11Å; F291-H415 AromaticContact CE2-CD2 3.95Å; F291-H415 AromaticContact CE2-CE1 3.96Å; F291-H415 AromaticContact CE2-CG 3.65Å; F291-H415 AromaticContact CE2-ND1 3.68Å
292	S	94.9	Very high	88.8	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.035	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-42.7	-177	-50.3	0	0	0	0	111.2	N223 A288 Q295	N223-S292 PolarHBondContact ND2-O 3.43Å; A288-S292 VanDerWaalsContact O-CB 3.26Å; A288-S292 WeakPolarHBondContact O-CB 3.34Å; A288-S292 PolarHBondContact O-N 2.96Å; A288-S292 PolarHBondContact O-OG 3.14Å; S292-Q295 PolarHBondContact O-N 3.06Å
293	G	94.4	Very high	88.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-75.3	-25	-179.2	0	0	0	0	0	114.4	Y7 A289 Q295 R296	Y7-G293 WeakPolarHBondContact OH-CA 3.21Å; A289-G293 PolarHBondContact O-N 3.2Å; G293-Q295 VanDerWaalsContact C-N 3.29Å; G293-Q295 PolarHBondContact O-N 2.76Å; G293-R296 WeakPolarHBondContact O-CG 3.22Å
294	S	92.2	Very high	88.5	Confident	39 Å²	39	50.5 Å²	50.5	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-74.1	-18.1	174.8	-65	0	0	0	0	113.2	Y7 W290 F291 R296	Y7-S294 VanDerWaalsContact CD2-OG 3.26Å; Y7-S294 WeakPolarHBondContact CD2-OG 3.4Å; W290-S294 WeakPolarHBondContact O-CB 3.08Å; W290-S294 PolarHBondContact O-N 3.44Å; W290-S294 PolarHBondContact O-OG 3.29Å; F291-S294 PolarHBondContact O-N 3.35Å; S294-R296 PolarHBondContact O-N 3.41Å
295	Q	81.6	Confident	88.5	Confident	41 Å²	41	50.4 Å²	50.4	19%	0.192	25%	0.245	C	C	.	.			trans	-99.9	50.7	-174.8	-67.4	-174.9	7.1	0	0	113.4	M1 F291 S292 G293 V297 R299	M1-Q295 HydrophobicContact SD-CG 4.24Å; F291-Q295 WeakPolarHBondContact O-CG 3.23Å; F291-Q295 PolarHBondContact O-N 3.35Å; S292-Q295 PolarHBondContact O-N 3.06Å; G293-Q295 VanDerWaalsContact C-N 3.29Å; G293-Q295 PolarHBondContact O-N 2.76Å; Q295-V297 VanDerWaalsContact C-N 3.28Å; Q295-V297 PolarHBondContact O-N 3.5Å; Q295-R299 PolarHBondContact O-N 2.87Å
296	R	70.8	Confident	88.5	Confident	169 Å²	169	50.4 Å²	50.4	64%	0.638	25%	0.245	S	C	*	.	S	Bend	trans	-61.9	-30.5	-176.2	-62.4	-168.8	-176	-175.7	5.5	114.7	E146 G293 S294	E146-R296 VanDerWaalsContact CG-NH2 3.32Å; E146-R296 IonicContact OE1-CZ 3.69Å; E146-R296 IonicContact OE1-NH2 2.63Å; E146-R296 PolarHBondContact OE1-NH2 3.11Å; G293-R296 WeakPolarHBondContact O-CG 3.22Å; S294-R296 PolarHBondContact O-N 3.41Å
297	V	68.4	Low	88.4	Confident	136 Å²	136	50.4 Å²	50.4	82%	0.824	25%	0.245	S	C	*	.	S	Bend	trans	-94.6	-34.9	-175.3	-176.1	0	0	0	0	112.4	Q295	Q295-V297 VanDerWaalsContact C-N 3.28Å; Q295-V297 PolarHBondContact O-N 3.5Å
298	N	72.3	Confident	88.4	Confident	136 Å²	136	50.8 Å²	50.8	73%	0.727	25%	0.248	S	C	*	.	S	Bend	trans	-110.1	44.8	-176.6	-69.4	-23	0	0	0	111.6
299	R	74.2	Confident	88.4	Confident	85 Å²	85	51.1 Å²	51.1	32%	0.321	25%	0.25	S	C	.	.			trans	-67.1	133.4	-176.4	-174.2	-177.5	159.3	-168.8	-7.8	110.8	D221 L222 N223 Q295	D221-R299 PolarHBondContact O-NH1 3.2Å; L222-R299 PolarHBondContact O-NH1 2.73Å; L222-R299 PolarHBondContact O-NH2 3.22Å; N223-R299 PolarHBondContact OD1-NE 2.96Å; Q295-R299 PolarHBondContact O-N 2.87Å
300	P	73.9	Confident	88.3	Confident	42 Å²	42	51.1 Å²	51.1	27%	0.273	25%	0.25	S	C	.	.			trans	-58.2	141.5	171.6	-21.2	31.6	0	0	0	111.4	S302 L304	P300-S302 PolarHBondContact O-N 2.69Å; P300-L304 HydrophobicContact CG-CD1 4.09Å; P300-L304 HydrophobicContact CG-CD2 4.23Å; P300-L304 HydrophobicContact CG-CG 4.13Å
301	R	74.8	Confident	87.9	Confident	266 Å²	266	51.5 Å²	51.5	100%	1.004	25%	0.254	S	S	*	.	S	Bend	trans	-66.3	-23.8	176.1	-73.3	-175.4	177.3	168.2	-0.4	112.9
302	S	85.5	Confident	87.6	Confident	82 Å²	82	53.8 Å²	53.8	57%	0.573	28%	0.281	S	S	*	.	S	Bend	trans	-107.1	150.2	178.5	54.6	0	0	0	0	111.5	P300 L304	P300-S302 PolarHBondContact O-N 2.69Å; S302-L304 PolarHBondContact O-N 3.24Å
303	I	94.2	Very high	87.5	Confident	20 Å²	20	56.5 Å²	56.5	10%	0.103	29%	0.294	C	S	.	.			trans	-60.4	127.8	171.3	-66.1	-177	0	0	0	109.2	V215 Q216 A219 V224 I226	V215-I303 HydrophobicContact CG1-CD1 4.02Å; Q216-I303 HydrophobicContact CB-CD1 4.16Å; Q216-I303 HydrophobicContact CG-CD1 4.46Å; A219-I303 HydrophobicContact CB-CD1 4.34Å; V224-I303 HydrophobicContact CB-CD1 4.15Å; V224-I303 HydrophobicContact CB-CG1 4.37Å; V224-I303 HydrophobicContact CG1-CD1 4.26Å; V224-I303 HydrophobicContact CG1-CG2 4.43Å; I226-I303 HydrophobicContact CD1-CG2 3.85Å; I226-I303 HydrophobicContact CG1-CG2 3.87Å
304	L	96.1	Very high	87.6	Confident	23 Å²	23	58 Å²	58	12%	0.12	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.3	172	-68	175.4	0	0	0	109.4	A225 I226 F291 P300 S302 Y306	A225-L304 CarbonylContact C-O 3.54Å; A225-L304 WeakPolarHBondContact CA-O 3.41Å; A225-L304 HydrophobicContact CB-CB 4.43Å; I226-L304 PolarHBondContact N-O 3.38Å; F291-L304 HydrophobicContact CD1-CD1 4.07Å; F291-L304 HydrophobicContact CE1-CD1 3.82Å; P300-L304 HydrophobicContact CG-CD1 4.09Å; P300-L304 HydrophobicContact CG-CD2 4.23Å; P300-L304 HydrophobicContact CG-CG 4.13Å; S302-L304 PolarHBondContact O-N 3.24Å; L304-Y306 HydrophobicContact CB-CE2 3.85Å; L304-Y306 WeakPolarHBondContact CD1-OH 3.25Å
305	V	98.4	Very high	87.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.2	175.1	-173.4	0	0	0	0	108.5	E165 V167 I226 R228 N408	E165-V305 HydrophobicContact CB-CB 4.23Å; E165-V305 VanDerWaalsContact CB-O 3.29Å; E165-V305 WeakPolarHBondContact CB-O 3.32Å; E165-V305 WeakPolarHBondContact CG-O 3.33Å; V167-V305 HydrophobicContact CG2-CG2 3.97Å; I226-V305 HydrophobicContact CB-CG1 4.3Å; I226-V305 HydrophobicContact CB-CG2 4.28Å; I226-V305 HydrophobicContact CD1-CG2 4.45Å; I226-V305 HydrophobicContact CG2-CG1 4.24Å; I226-V305 CarbonylContact O-C 3.25Å; I226-V305 WeakPolarHBondContact O-CA 3.34Å; R228-V305 HydrophobicContact CG-CG1 4.19Å; V305-N408 WeakPolarHBondContact O-CB 3.36Å; V305-N408 PolarHBondContact O-ND2 3.44Å
306	Y	98.3	Very high	88.5	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	111	-179.7	-59.9	-84.6	0	0	0	109.7	E165 A225 I226 V227 R228 A288 L304 C308 N408 V409 M411 L412	E165-Y306 WeakPolarHBondContact OE1-CA 3.42Å; A225-Y306 HydrophobicContact CB-CE2 3.97Å; I226-Y306 PolarHBondContact O-N 3.27Å; V227-Y306 HydrophobicContact CG2-CD2 4.32Å; R228-Y306 PolarHBondContact N-O 2.64Å; A288-Y306 HydrophobicContact CB-CD2 3.9Å; A288-Y306 HydrophobicContact CB-CE2 3.66Å; L304-Y306 HydrophobicContact CB-CE2 3.85Å; L304-Y306 WeakPolarHBondContact CD1-OH 3.25Å; Y306-C308 PolarHBondContact O-N 3.17Å; Y306-N408 HydrophobicContact CD1-CB 3.72Å; Y306-N408 HydrophobicContact CE1-CB 3.81Å; Y306-N408 WeakPolarHBondContact CE1-O 3.26Å; Y306-V409 HydrophobicContact CD1-CG2 4.27Å; Y306-M411 HydrophobicContact CE1-CE 4.46Å; Y306-L412 HydrophobicContact CD1-CD2 4.29Å; Y306-L412 HydrophobicContact CE1-CB 4.08Å; Y306-L412 HydrophobicContact CE1-CD2 4.05Å; Y306-L412 HydrophobicContact CE1-CG 4.47Å
307	N	98.3	Very high	89.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	90.9	174.5	-73.4	-23.1	0	0	0	109.5	I163 E165 R228 T309 N405 T406	I163-N307 PolarHBondContact O-ND2 2.97Å; E165-N307 HydrophobicContact CG-CB 4.01Å; E165-N307 WeakPolarHBondContact CG-ND2 3.31Å; E165-N307 PolarHBondContact OE1-N 3.12Å; R228-N307 WeakPolarHBondContact CD-OD1 3.27Å; R228-N307 PolarHBondContact NH1-OD1 3.31Å; N307-T309 VanDerWaalsContact C-N 3.3Å; N307-T309 HydrophobicContact CB-CG2 4.31Å; N307-T309 PolarHBondContact O-N 3.13Å; N307-N405 VanDerWaalsContact CB-O 3.22Å; N307-N405 WeakPolarHBondContact CB-O 3.39Å; N307-N405 PolarHBondContact ND2-O 3.41Å; N307-T406 HydrophobicContact CB-CG2 4.4Å; N307-T406 WeakPolarHBondContact O-CG2 3.43Å
308	C	97.6	Very high	91	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.054	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	80.5	176.6	-65.5	0	0	0	0	110.7	R228 S230 V281 Y306	R228-C308 PolarHBondContact O-N 3.15Å; S230-C308 PolarHBondContact N-O 2.96Å; S230-C308 VanDerWaalsContact N-O 3.16Å; V281-C308 HydrophobicContact CG2-CB 4.5Å; Y306-C308 PolarHBondContact O-N 3.17Å
309	T	97.3	Very high	92.1	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.037	23%	0.229	C	C	.	.			trans	-127.6	166.1	-176	67.8	0	0	0	0	111.1	A154 N307 W404	A154-T309 HydrophobicContact CB-CG2 3.68Å; N307-T309 VanDerWaalsContact C-N 3.3Å; N307-T309 HydrophobicContact CB-CG2 4.31Å; N307-T309 PolarHBondContact O-N 3.13Å; T309-W404 HydrophobicContact CG2-CB 4.05Å; T309-W404 HydrophobicContact CG2-CD2 3.87Å; T309-W404 HydrophobicContact CG2-CE3 4.45Å; T309-W404 HydrophobicContact CG2-CG 3.64Å; T309-W404 WeakPolarHBondContact OG1-CB 3.28Å
310	T	96.1	Very high	93.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-116.3	-26	179.8	52.8	0	0	0	0	112.5	D274 L275 V276 G312 I313 N314 V428 W433	D274-T310 PolarHBondContact OD1-N 3.37Å; L275-T310 WeakPolarHBondContact O-CG2 3.46Å; L275-T310 PolarHBondContact O-OG1 3.16Å; V276-T310 HydrophobicContact CB-CG2 4.33Å; V276-T310 HydrophobicContact CG2-CG2 4.34Å; T310-G312 VanDerWaalsContact C-N 3.34Å; T310-G312 PolarHBondContact O-N 2.88Å; T310-I313 PolarHBondContact O-N 3.29Å; T310-N314 CarbonylContact O-C 3.58Å; T310-N314 PolarHBondContact O-N 3.4Å; T310-V428 HydrophobicContact CG2-CB 3.97Å; T310-V428 HydrophobicContact CG2-CG1 3.84Å; T310-V428 HydrophobicContact CG2-CG2 4.17Å; T310-W433 HydrophobicContact CG2-CH2 4.12Å; T310-W433 HydrophobicContact CG2-CZ2 4.26Å
311	G	90.2	Very high	94.3	Very high	11 Å²	11	41.5 Å²	41.5	11%	0.113	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.5	-167.7	0	0	0	0	0	115.2	D274 P315	D274-G311 VanDerWaalsContact OD1-CA 3.24Å; D274-G311 WeakPolarHBondContact OD1-CA 3.43Å; D274-G311 PolarHBondContact OD1-N 3.01Å; G311-P315 WeakPolarHBondContact O-CB 3.38Å
312	G	89.6	Confident	95.3	Very high	58 Å²	58	30 Å²	30	60%	0.598	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-19.4	177.2	0	0	0	0	0	114.4	T310	T310-G312 VanDerWaalsContact C-N 3.34Å; T310-G312 PolarHBondContact O-N 2.88Å
313	I	93.4	Very high	95.8	Very high	61 Å²	61	31.1 Å²	31.1	31%	0.313	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-44	-168.2	-58.5	174.3	0	0	0	111.8	T310 T406 V428 R429	T310-I313 PolarHBondContact O-N 3.29Å; I313-T406 HydrophobicContact CD1-CG2 4.23Å; I313-V428 HydrophobicContact CB-CG2 4.01Å; I313-V428 HydrophobicContact CD1-CG2 4.19Å; I313-V428 HydrophobicContact CG2-CG2 3.86Å; I313-R429 HydrophobicContact CG2-CG 3.27Å
314	N	96.3	Very high	96	Very high	32 Å²	32	31.2 Å²	31.2	17%	0.171	18%	0.179	C	C	.	.	S	Bend	trans	-142.7	73.8	-178.4	-175.2	9.7	0	0	0	108.7	T310 V428 L431 W433	T310-N314 CarbonylContact O-C 3.58Å; T310-N314 PolarHBondContact O-N 3.4Å; N314-V428 PolarHBondContact ND2-O 3.48Å; N314-L431 PolarHBondContact ND2-O 3.23Å; N314-W433 VanDerWaalsContact CG-NE1 3.35Å; N314-W433 PolarHBondContact ND2-NE1 2.7Å; N314-W433 VanDerWaalsContact O-CZ2 3.31Å; N314-W433 WeakPolarHBondContact O-CZ2 3.49Å; N314-W433 PolarHBondContact O-NE1 3.48Å; N314-W433 PolarHBondContact OD1-NE1 3.39Å; N314-W433 VanDerWaalsContact OD1-NE1 3.14Å
315	P	95.6	Very high	96	Very high	72 Å²	72	30.5 Å²	30.5	47%	0.468	18%	0.175	S	C	.	.			trans	-62.3	141.5	-170.6	23.8	-33.7	0	0	0	112.4	G311	G311-P315 WeakPolarHBondContact O-CB 3.38Å
316	F	96.3	Very high	95.9	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	18%	0.178	C	C	.	.			trans	-134.7	126.6	173.4	-172.6	-136.9	0	0	0	108.9	V272 A273 L275 E320 V321 W433 M437	V272-F316 CarbonylContact C-O 3.57Å; A273-F316 WeakPolarHBondContact CA-O 3.48Å; A273-F316 WeakPolarHBondContact CB-O 3.13Å; A273-F316 PolarHBondContact N-O 2.84Å; L275-F316 HydrophobicContact CD1-CD1 4.22Å; L275-F316 HydrophobicContact CD1-CE1 4.26Å; F316-E320 HydrophobicContact CD2-CB 3.79Å; F316-E320 HydrophobicContact CE2-CB 3.37Å; F316-E320 HydrophobicContact CZ-CB 4.18Å; F316-V321 HydrophobicContact CD1-CG2 3.64Å; F316-V321 HydrophobicContact CE1-CB 4.15Å; F316-V321 HydrophobicContact CE1-CG2 3.21Å; F316-V321 HydrophobicContact CZ-CB 4.32Å; F316-V321 HydrophobicContact CZ-CG2 3.77Å; F316-W433 HydrophobicContact CB-CD2 3.67Å; F316-W433 VanDerWaalsContact CB-CE2 3.48Å; F316-W433 HydrophobicContact CB-CE3 4.15Å; F316-W433 HydrophobicContact CB-CG 4.03Å; F316-W433 HydrophobicContact CB-CH2 4.27Å; F316-W433 HydrophobicContact CB-CZ2 3.8Å; F316-W433 HydrophobicContact CB-CZ3 4.44Å; F316-W433 AromaticContact CD1-CD2 3.9Å; F316-W433 HydrophobicContact CD1-CD2 3.9Å; F316-W433 AromaticContact CD1-CE3 3.62Å; F316-W433 HydrophobicContact CD1-CE3 3.62Å; F316-W433 HydrophobicContact CD1-CG 4.4Å; F316-W433 AromaticContact CD1-CZ3 3.99Å; F316-W433 HydrophobicContact CD1-CZ3 3.99Å; F316-W433 HydrophobicContact CD2-CB 3.76Å; F316-W433 AromaticContact CD2-CD2 4Å; F316-W433 HydrophobicContact CD2-CD2 4Å; F316-W433 HydrophobicContact CD2-CE3 4.46Å; F316-W433 AromaticContact CD2-CG 3.65Å; F316-W433 HydrophobicContact CD2-CG 3.65Å; F316-W433 HydrophobicContact CE1-CE3 4.05Å; F316-W433 HydrophobicContact CE2-CB 3.77Å; F316-W433 HydrophobicContact CE2-CG 4.16Å; F316-W433 HydrophobicContact CG-CB 4.3Å; F316-W433 AromaticContact CG-CD2 3.62Å; F316-W433 HydrophobicContact CG-CD2 3.62Å; F316-W433 AromaticContact CG-CE3 3.86Å; F316-W433 HydrophobicContact CG-CE3 3.86Å; F316-W433 AromaticContact CG-CG 3.8Å; F316-W433 HydrophobicContact CG-CG 3.8Å; F316-W433 HydrophobicContact CG-CZ3 4.43Å; F316-W433 HydrophobicContact CZ-CB 4.29Å; F316-M437 HydrophobicContact CE1-CG 3.67Å; F316-M437 HydrophobicContact CE1-SD 3.82Å; F316-M437 HydrophobicContact CZ-CG 3.65Å; F316-M437 HydrophobicContact CZ-SD 4.37Å
317	R	96.8	Very high	95.8	Very high	111 Å²	111	36.5 Å²	36.5	42%	0.419	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-99.3	154.4	-173.3	-60.8	180	177.1	-139.7	-5.1	112.3	D270 A271 G319 E320 V321	D270-R317 IonicContact OD1-NH1 2.95Å; D270-R317 PolarHBondContact OD1-NH1 3.24Å; A271-R317 WeakPolarHBondContact O-CA 3.47Å; R317-G319 PolarHBondContact O-N 3.33Å; R317-E320 HydrophobicContact CB-CG 4.32Å; R317-E320 WeakPolarHBondContact CB-OE2 3.27Å; R317-E320 PolarHBondContact N-OE2 3.31Å; R317-E320 WeakPolarHBondContact O-CA 3.21Å; R317-E320 WeakPolarHBondContact O-CB 3.32Å; R317-E320 PolarHBondContact O-N 2.73Å; R317-V321 WeakPolarHBondContact O-CG2 3.05Å; R317-V321 PolarHBondContact O-N 3.26Å
318	W	95.8	Very high	95.7	Very high	15 Å²	15	37 Å²	37	6%	0.057	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-33.4	177.8	-73.6	109.7	0	0	0	113.3	I231 A267 A271 A273 E320 V321 E322 L345 T398	I231-W318 HydrophobicContact CD1-CH2 4.46Å; I231-W318 HydrophobicContact CD1-CZ2 4.22Å; A267-W318 HydrophobicContact CB-CB 4.41Å; A267-W318 HydrophobicContact CB-CG 4.47Å; A271-W318 PolarHBondContact O-N 2.97Å; A273-W318 HydrophobicContact CB-CD2 3.55Å; A273-W318 VanDerWaalsContact CB-CE2 3.45Å; A273-W318 HydrophobicContact CB-CE3 3.9Å; A273-W318 HydrophobicContact CB-CG 4Å; A273-W318 HydrophobicContact CB-CH2 4.09Å; A273-W318 HydrophobicContact CB-CZ2 3.76Å; A273-W318 HydrophobicContact CB-CZ3 4.15Å; W318-E320 VanDerWaalsContact C-N 3.27Å; W318-E320 PolarHBondContact O-N 3.38Å; W318-V321 HydrophobicContact CE3-CB 4.05Å; W318-V321 HydrophobicContact CE3-CG1 4.03Å; W318-V321 HydrophobicContact CE3-CG2 3.92Å; W318-V321 HydrophobicContact CZ3-CG1 4.09Å; W318-V321 HydrophobicContact CZ3-CG2 4.29Å; W318-V321 WeakPolarHBondContact O-CB 3.35Å; W318-V321 PolarHBondContact O-N 3.19Å; W318-E322 PolarHBondContact O-N 3.45Å; W318-L345 HydrophobicContact CB-CD1 3.85Å; W318-L345 HydrophobicContact CE3-CD1 4.32Å; W318-L345 VanDerWaalsContact O-CD1 3.24Å; W318-L345 WeakPolarHBondContact O-CD1 3.36Å; W318-T398 HydrophobicContact CD2-CG2 4.41Å; W318-T398 HydrophobicContact CH2-CG2 4.1Å; W318-T398 HydrophobicContact CZ2-CG2 3.79Å
319	G	95.8	Very high	95.6	Very high	16 Å²	16	36.6 Å²	36.6	17%	0.165	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-34.6	172.6	0	0	0	0	0	113.3	N269 R317 N323	N269-G319 PolarHBondContact O-N 3.01Å; N269-G319 VanDerWaalsContact O-N 3.17Å; R317-G319 PolarHBondContact O-N 3.33Å; G319-N323 PolarHBondContact O-N 3.2Å; G319-N323 PolarHBondContact O-ND2 3.34Å
320	E	96.8	Very high	95.4	Very high	85 Å²	85	40.8 Å²	40.8	40%	0.397	22%	0.223	S	C	.	.	H	α-helix	trans	-75.6	-37.6	176.5	-57.3	174.4	92	0	0	111.5	F316 R317 W318 E322 N323 C324	F316-E320 HydrophobicContact CD2-CB 3.79Å; F316-E320 HydrophobicContact CE2-CB 3.37Å; F316-E320 HydrophobicContact CZ-CB 4.18Å; R317-E320 HydrophobicContact CB-CG 4.32Å; R317-E320 WeakPolarHBondContact CB-OE2 3.27Å; R317-E320 PolarHBondContact N-OE2 3.31Å; R317-E320 WeakPolarHBondContact O-CA 3.21Å; R317-E320 WeakPolarHBondContact O-CB 3.32Å; R317-E320 PolarHBondContact O-N 2.73Å; W318-E320 VanDerWaalsContact C-N 3.27Å; W318-E320 PolarHBondContact O-N 3.38Å; E320-E322 VanDerWaalsContact C-N 3.33Å; E320-E322 PolarHBondContact O-N 3Å; E320-N323 PolarHBondContact O-N 3Å; E320-C324 PolarHBondContact O-N 3.33Å; E320-C324 PolarHBondContact O-SG 2.91Å
321	V	96.4	Very high	95.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-55.8	-48.4	170.8	177.3	0	0	0	0	110.4	F254 A273 L275 F316 R317 W318 N323 C324 I325 M437	F254-V321 HydrophobicContact CE1-CG1 4.09Å; F254-V321 HydrophobicContact CZ-CG1 4.21Å; A273-V321 HydrophobicContact CB-CG2 3.71Å; L275-V321 HydrophobicContact CD1-CG2 4.45Å; F316-V321 HydrophobicContact CD1-CG2 3.64Å; F316-V321 HydrophobicContact CE1-CB 4.15Å; F316-V321 HydrophobicContact CE1-CG2 3.21Å; F316-V321 HydrophobicContact CZ-CB 4.32Å; F316-V321 HydrophobicContact CZ-CG2 3.77Å; R317-V321 WeakPolarHBondContact O-CG2 3.05Å; R317-V321 PolarHBondContact O-N 3.26Å; W318-V321 HydrophobicContact CE3-CB 4.05Å; W318-V321 HydrophobicContact CE3-CG1 4.03Å; W318-V321 HydrophobicContact CE3-CG2 3.92Å; W318-V321 HydrophobicContact CZ3-CG1 4.09Å; W318-V321 HydrophobicContact CZ3-CG2 4.29Å; W318-V321 WeakPolarHBondContact O-CB 3.35Å; W318-V321 PolarHBondContact O-N 3.19Å; V321-N323 VanDerWaalsContact C-N 3.34Å; V321-N323 PolarHBondContact O-N 3.42Å; V321-C324 PolarHBondContact O-N 3.05Å; V321-I325 HydrophobicContact CG1-CD1 3.54Å; V321-I325 HydrophobicContact CG1-CG1 4.3Å; V321-I325 WeakPolarHBondContact O-CB 3.5Å; V321-I325 VanDerWaalsContact O-CG1 3.26Å; V321-I325 WeakPolarHBondContact O-CG1 3.46Å; V321-I325 PolarHBondContact O-N 3.01Å; V321-M437 HydrophobicContact CG1-CE 4.15Å
322	E	96.3	Very high	95.5	Very high	24 Å²	24	45.3 Å²	45.3	11%	0.112	25%	0.245	C	C	.	.	H	α-helix	trans	-54.9	-50	176.6	-179.1	-173.1	143.5	0	0	111.5	W318 E320 C324 I325 N326 V343 L345	W318-E322 PolarHBondContact O-N 3.45Å; E320-E322 VanDerWaalsContact C-N 3.33Å; E320-E322 PolarHBondContact O-N 3Å; E322-C324 PolarHBondContact O-N 3.26Å; E322-I325 PolarHBondContact O-N 3.21Å; E322-N326 WeakPolarHBondContact CG-ND2 3.3Å; E322-N326 VanDerWaalsContact O-CB 3.29Å; E322-N326 WeakPolarHBondContact O-CB 3.49Å; E322-N326 PolarHBondContact O-N 3.2Å; E322-N326 PolarHBondContact O-ND2 3.25Å; E322-V343 HydrophobicContact CG-CG1 4.37Å; E322-L345 HydrophobicContact CB-CD1 4.04Å; E322-L345 HydrophobicContact CB-CG 3.99Å; E322-L345 HydrophobicContact CG-CG 4.34Å; E322-L345 VanDerWaalsContact OE2-CB 3.32Å; E322-L345 WeakPolarHBondContact OE2-CB 3.35Å; E322-L345 PolarHBondContact OE2-N 3.41Å
323	N	96.8	Very high	95.8	Very high	105 Å²	105	42.6 Å²	42.6	56%	0.561	22%	0.217	S	C	*	.	H	α-helix	trans	-60.8	-46.7	-178.6	-73.6	-28.1	0	0	0	111.4	G319 E320 V321 N326 M327	G319-N323 PolarHBondContact O-N 3.2Å; G319-N323 PolarHBondContact O-ND2 3.34Å; E320-N323 PolarHBondContact O-N 3Å; V321-N323 VanDerWaalsContact C-N 3.34Å; V321-N323 PolarHBondContact O-N 3.42Å; N323-N326 PolarHBondContact O-N 3.45Å; N323-M327 VanDerWaalsContact O-CB 3.3Å; N323-M327 WeakPolarHBondContact O-CB 3.24Å; N323-M327 PolarHBondContact O-N 3.03Å
324	C	97.1	Very high	96	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-49.8	178.3	-66.6	0	0	0	0	111.4	E320 V321 E322 N326 M327 T328 M437	E320-C324 PolarHBondContact O-N 3.33Å; E320-C324 PolarHBondContact O-SG 2.91Å; V321-C324 PolarHBondContact O-N 3.05Å; E322-C324 PolarHBondContact O-N 3.26Å; C324-N326 PolarHBondContact O-N 2.85Å; C324-M327 PolarHBondContact O-N 2.8Å; C324-T328 WeakPolarHBondContact O-CB 3.49Å; C324-T328 PolarHBondContact O-N 3.2Å; C324-T328 PolarHBondContact O-OG1 2.87Å; C324-M437 HydrophobicContact CB-CB 3.75Å; C324-M437 HydrophobicContact CB-CG 4.18Å
325	I	96.1	Very high	95.9	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-48.2	179.3	-69.7	167.9	0	0	0	111	F254 A257 V321 E322 M327 F329 V343 M437	F254-I325 HydrophobicContact CD1-CD1 3.3Å; F254-I325 HydrophobicContact CD1-CG1 4.14Å; F254-I325 HydrophobicContact CE1-CD1 3.4Å; F254-I325 VanDerWaalsContact CE1-CD1 3.4Å; F254-I325 HydrophobicContact CE1-CG1 4.36Å; F254-I325 HydrophobicContact CG-CD1 4.02Å; F254-I325 HydrophobicContact CG-CG1 4.38Å; F254-I325 HydrophobicContact CZ-CD1 4.15Å; A257-I325 HydrophobicContact CB-CG2 3.79Å; V321-I325 HydrophobicContact CG1-CD1 3.54Å; V321-I325 HydrophobicContact CG1-CG1 4.3Å; V321-I325 WeakPolarHBondContact O-CB 3.5Å; V321-I325 VanDerWaalsContact O-CG1 3.26Å; V321-I325 WeakPolarHBondContact O-CG1 3.46Å; V321-I325 PolarHBondContact O-N 3.01Å; E322-I325 PolarHBondContact O-N 3.21Å; I325-M327 PolarHBondContact O-N 2.78Å; I325-F329 HydrophobicContact CG2-CD2 3.77Å; I325-F329 HydrophobicContact CG2-CE2 3.98Å; I325-F329 WeakPolarHBondContact O-CD2 3.37Å; I325-F329 PolarHBondContact O-N 3.25Å; I325-V343 HydrophobicContact CG2-CG1 4.2Å; I325-M437 HydrophobicContact CG1-CE 4.13Å
326	N	96.4	Very high	95.7	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.048	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-40.8	-178.5	-81.9	-32.3	0	0	0	111.8	E322 N323 C324 K330 N342 V343	E322-N326 WeakPolarHBondContact CG-ND2 3.3Å; E322-N326 VanDerWaalsContact O-CB 3.29Å; E322-N326 WeakPolarHBondContact O-CB 3.49Å; E322-N326 PolarHBondContact O-N 3.2Å; E322-N326 PolarHBondContact O-ND2 3.25Å; N323-N326 PolarHBondContact O-N 3.45Å; C324-N326 PolarHBondContact O-N 2.85Å; N326-K330 WeakPolarHBondContact O-CB 3.44Å; N326-K330 WeakPolarHBondContact O-CD 3.4Å; N326-K330 WeakPolarHBondContact O-CG 3.19Å; N326-K330 PolarHBondContact O-N 3.18Å; N326-N342 WeakPolarHBondContact OD1-CA 3.46Å; N326-V343 PolarHBondContact ND2-O 2.96Å; N326-V343 PolarHBondContact OD1-N 3.31Å
327	M	96	Very high	95.6	Very high	119 Å²	119	45.4 Å²	45.4	59%	0.586	22%	0.222	S	C	*	.	H	α-helix	trans	-66.9	-51.6	177.8	-170.9	66.6	80.8	0	0	110.8	N323 C324 I325 F329 K330 N331	N323-M327 VanDerWaalsContact O-CB 3.3Å; N323-M327 WeakPolarHBondContact O-CB 3.24Å; N323-M327 PolarHBondContact O-N 3.03Å; C324-M327 PolarHBondContact O-N 2.8Å; I325-M327 PolarHBondContact O-N 2.78Å; M327-F329 PolarHBondContact O-N 2.77Å; M327-K330 PolarHBondContact O-N 3.45Å; M327-N331 PolarHBondContact O-N 3.16Å; M327-N331 VanDerWaalsContact O-N 3.14Å
328	T	96.1	Very high	95.4	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-50.3	-176.1	-59.2	0	0	0	0	111.4	C324 K330 N331 N332 E438 C441	C324-T328 WeakPolarHBondContact O-CB 3.49Å; C324-T328 PolarHBondContact O-N 3.2Å; C324-T328 PolarHBondContact O-OG1 2.87Å; T328-K330 VanDerWaalsContact C-N 3.3Å; T328-K330 PolarHBondContact O-N 3.06Å; T328-N331 PolarHBondContact O-N 3.08Å; T328-N332 WeakPolarHBondContact O-CA 3.49Å; T328-N332 WeakPolarHBondContact O-CB 3.34Å; T328-N332 PolarHBondContact O-N 3.42Å; T328-E438 HydrophobicContact CG2-CB 4.48Å; T328-E438 HydrophobicContact CG2-CG 4.07Å; T328-C441 HydrophobicContact CG2-CB 3.56Å
329	F	96.5	Very high	95.3	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-75.7	-15.7	-178.2	-68.4	-54.7	0	0	0	114.3	F254 G258 I325 M327 P333 L334 P341 C441	F254-F329 HydrophobicContact CB-CE2 4.38Å; F254-F329 VanDerWaalsContact O-CE2 3.23Å; F254-F329 WeakPolarHBondContact O-CE2 3.23Å; G258-F329 VanDerWaalsContact CA-CD2 3.41Å; I325-F329 HydrophobicContact CG2-CD2 3.77Å; I325-F329 HydrophobicContact CG2-CE2 3.98Å; I325-F329 WeakPolarHBondContact O-CD2 3.37Å; I325-F329 PolarHBondContact O-N 3.25Å; M327-F329 PolarHBondContact O-N 2.77Å; F329-P333 VanDerWaalsContact O-CA 3.27Å; F329-P333 WeakPolarHBondContact O-CA 3.48Å; F329-P333 WeakPolarHBondContact O-CB 3.31Å; F329-L334 HydrophobicContact CD1-CD1 4.37Å; F329-L334 HydrophobicContact CD1-CD2 4.13Å; F329-L334 HydrophobicContact CD1-CG 3.82Å; F329-L334 HydrophobicContact CE1-CD1 3.96Å; F329-L334 HydrophobicContact CE1-CD2 3.65Å; F329-L334 HydrophobicContact CE1-CG 3.67Å; F329-L334 HydrophobicContact CZ-CD1 4.3Å; F329-L334 HydrophobicContact CZ-CG 4.48Å; F329-P341 HydrophobicContact CB-CB 3.8Å; F329-P341 HydrophobicContact CB-CG 3.64Å; F329-C441 HydrophobicContact CE1-CB 3.91Å; F329-C441 HydrophobicContact CE2-CB 4.15Å; F329-C441 HydrophobicContact CZ-CB 3.63Å
330	K	93.5	Very high	95.2	Very high	93 Å²	93	47.6 Å²	47.6	40%	0.404	23%	0.227	S	C	.	.	H	α-helix	trans	-71.9	-38.6	168.4	-78.3	169.9	-168.6	169.7	0	111.2	N326 M327 T328 P341	N326-K330 WeakPolarHBondContact O-CB 3.44Å; N326-K330 WeakPolarHBondContact O-CD 3.4Å; N326-K330 WeakPolarHBondContact O-CG 3.19Å; N326-K330 PolarHBondContact O-N 3.18Å; M327-K330 PolarHBondContact O-N 3.45Å; T328-K330 VanDerWaalsContact C-N 3.3Å; T328-K330 PolarHBondContact O-N 3.06Å; K330-P341 WeakPolarHBondContact CE-O 3.45Å
331	N	92.7	Very high	95.1	Very high	85 Å²	85	43.6 Å²	43.6	46%	0.455	21%	0.209	S	C	.	.	H	α-helix	trans	-85.3	-39.7	-178.6	-66.5	-17.7	0	0	0	112.5	M327 T328 P333 R460	M327-N331 PolarHBondContact O-N 3.16Å; M327-N331 VanDerWaalsContact O-N 3.14Å; T328-N331 PolarHBondContact O-N 3.08Å; N331-P333 VanDerWaalsContact C-CD 3.48Å; N331-P333 VanDerWaalsContact O-CD 3.31Å; N331-P333 WeakPolarHBondContact O-CD 3.36Å; N331-R460 PolarHBondContact O-NE 3.36Å; N331-R460 PolarHBondContact O-NH2 3.33Å
332	N	95	Very high	95	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.118	22%	0.22	C	C	.	.	S	Bend	trans	-122.7	73.4	-177	-58.1	-46.8	0	0	0	109.9	T328 E438 M442 L456 R460	T328-N332 WeakPolarHBondContact O-CA 3.49Å; T328-N332 WeakPolarHBondContact O-CB 3.34Å; T328-N332 PolarHBondContact O-N 3.42Å; N332-E438 PolarHBondContact ND2-OE1 3.19Å; N332-M442 HydrophobicContact CB-CE 4.15Å; N332-M442 HydrophobicContact CB-SD 3.36Å; N332-M442 WeakPolarHBondContact CB-SD 3.34Å; N332-L456 HydrophobicContact CB-CD2 4.38Å; N332-R460 PolarHBondContact OD1-NH2 3.27Å
333	P	96.1	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-72.3	148.3	-171.4	28.5	-35.4	0	0	0	113.9	F329 N331 K445 A459 R460 L463	F329-P333 VanDerWaalsContact O-CA 3.27Å; F329-P333 WeakPolarHBondContact O-CA 3.48Å; F329-P333 WeakPolarHBondContact O-CB 3.31Å; N331-P333 VanDerWaalsContact C-CD 3.48Å; N331-P333 VanDerWaalsContact O-CD 3.31Å; N331-P333 WeakPolarHBondContact O-CD 3.36Å; P333-K445 PolarHBondContact O-NZ 3.18Å; P333-A459 HydrophobicContact CB-CB 4.3Å; P333-A459 HydrophobicContact CG-CB 3.8Å; P333-R460 HydrophobicContact CG-CB 4.42Å; P333-R460 HydrophobicContact CG-CG 3.71Å; P333-L463 HydrophobicContact CB-CD1 3.42Å; P333-L463 VanDerWaalsContact CB-CD1 3.42Å; P333-L463 HydrophobicContact CB-CG 3.74Å; P333-L463 HydrophobicContact CG-CD1 4.09Å; P333-L463 HydrophobicContact CG-CG 4.29Å
334	L	96.8	Very high	94.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-69.5	147.2	165.3	-58.3	-177.7	0	0	0	110.1	I255 K259 F329 K445 L449 E451	I255-L334 HydrophobicContact CG2-CD1 4.46Å; K259-L334 HydrophobicContact CD-CB 4.08Å; K259-L334 HydrophobicContact CD-CD1 4.31Å; K259-L334 HydrophobicContact CG-CD1 4.01Å; F329-L334 HydrophobicContact CD1-CD1 4.37Å; F329-L334 HydrophobicContact CD1-CD2 4.13Å; F329-L334 HydrophobicContact CD1-CG 3.82Å; F329-L334 HydrophobicContact CE1-CD1 3.96Å; F329-L334 HydrophobicContact CE1-CD2 3.65Å; F329-L334 HydrophobicContact CE1-CG 3.67Å; F329-L334 HydrophobicContact CZ-CD1 4.3Å; F329-L334 HydrophobicContact CZ-CG 4.48Å; L334-K445 HydrophobicContact CD2-CB 3.56Å; L334-K445 HydrophobicContact CD2-CD 4.28Å; L334-K445 HydrophobicContact CD2-CG 3.81Å; L334-L449 HydrophobicContact CD1-CD1 3.77Å; L334-L449 HydrophobicContact CD2-CD1 3.83Å; L334-L449 HydrophobicContact CG-CD1 4.27Å; L334-E451 WeakPolarHBondContact CA-OE2 3.36Å
335	E	95.6	Very high	94.8	Very high	57 Å²	57	41.4 Å²	41.4	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	154.7	176.4	-69.2	174.4	-149.5	0	0	110.9	K259 A337 K445 E451 A459	K259-E335 PolarHBondContact NZ-O 3.34Å; E335-A337 PolarHBondContact O-N 2.87Å; E335-K445 IonicContact OE1-NZ 3.47Å; E335-E451 HydrophobicContact CB-CG 4.27Å; E335-E451 HydrophobicContact CG-CG 4.26Å; E335-E451 PolarHBondContact N-OE1 2.86Å; E335-E451 PolarHBondContact N-OE2 3.19Å; E335-A459 HydrophobicContact CG-CB 4.17Å
336	Q	91.8	Very high	94.7	Very high	166 Å²	166	43.7 Å²	43.7	78%	0.776	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	32.1	174.7	-53.2	-176.7	3.8	0	0	114.6	F338	Q336-F338 PolarHBondContact O-N 3.38Å
337	A	94.3	Very high	94.5	Very high	3 Å²	3	46 Å²	46	3%	0.025	22%	0.221	C	C	.	.			trans	-54.8	133.2	176.9	0	0	0	0	0	110.2	E335 H462 L463 L466	E335-A337 PolarHBondContact O-N 2.87Å; A337-H462 PolarHBondContact O-NE2 3.44Å; A337-L463 HydrophobicContact CB-CD2 3.82Å; A337-L466 WeakPolarHBondContact O-CD1 3.21Å
338	F	92.3	Very high	94.4	Very high	69 Å²	69	43.9 Å²	43.9	30%	0.303	21%	0.212	S	C	.	.	S	Bend	trans	-68.6	-40.3	178.5	178.9	-108.6	0	0	0	110.9	K259 I261 Q336 Y367 M380	K259-F338 WeakPolarHBondContact O-CB 3.39Å; K259-F338 PolarHBondContact O-N 3.07Å; I261-F338 HydrophobicContact CG1-CB 4.2Å; Q336-F338 PolarHBondContact O-N 3.38Å; F338-Y367 HydrophobicContact CE2-CD2 4.4Å; F338-M380 HydrophobicContact CD1-CE 3.94Å; F338-M380 HydrophobicContact CE1-CE 3.75Å; F338-M380 HydrophobicContact CE2-CE 4.49Å; F338-M380 HydrophobicContact CG-CE 4.42Å; F338-M380 HydrophobicContact CZ-CE 4.05Å
339	R	93	Very high	94.1	Very high	52 Å²	52	46.8 Å²	46.8	20%	0.196	23%	0.231	C	C	.	.	S	Bend	trans	-140.8	164.6	174.8	-70.3	178.6	-67.8	-166.2	-6.8	109.9	K259 G260 I261 S359	K259-R339 PolarHBondContact O-N 3.22Å; G260-R339 WeakPolarHBondContact CA-O 3.5Å; G260-R339 PolarHBondContact O-NE 2.96Å; G260-R339 PolarHBondContact O-NH2 2.94Å; I261-R339 PolarHBondContact O-NH2 3.15Å; R339-S359 VanDerWaalsContact CZ-O 3.26Å; R339-S359 PolarHBondContact NH1-O 3.1Å; R339-S359 PolarHBondContact NH2-O 3.16Å
340	R	93.3	Very high	94	Very high	67 Å²	67	54.8 Å²	54.8	25%	0.253	27%	0.266	S	S	.	.			trans	-57.5	130.9	170.4	-79.2	-158.3	157.6	-140.7	-2.8	111	R263 N342 L463 N464 L466 R467	R263-R340 PolarHBondContact NH1-O 2.95Å; R340-N342 PolarHBondContact O-N 3.46Å; R340-L463 HydrophobicContact CG-CD2 4.25Å; R340-L463 VanDerWaalsContact CZ-O 3.32Å; R340-L463 PolarHBondContact NE-O 3.48Å; R340-L463 VanDerWaalsContact NH2-C 3.28Å; R340-L463 PolarHBondContact NH2-O 3.5Å; R340-N464 PolarHBondContact NH2-OD1 2.99Å; R340-L466 HydrophobicContact CG-CB 4.26Å; R340-R467 VanDerWaalsContact NE-CB 3.34Å
341	P	94.3	Very high	94.1	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.013	26%	0.262	C	S	.	.			trans	-53.8	124.9	174.8	-20.8	28	0	0	0	111.1	G258 F329 K330 L463	G258-P341 WeakPolarHBondContact O-CG 3.25Å; F329-P341 HydrophobicContact CB-CB 3.8Å; F329-P341 HydrophobicContact CB-CG 3.64Å; K330-P341 WeakPolarHBondContact CE-O 3.45Å; P341-L463 HydrophobicContact CG-CD1 4.42Å
342	N	94.7	Very high	94.1	Very high	47 Å²	47	49.6 Å²	49.6	25%	0.251	25%	0.245	S	C	.	.			trans	-171.7	70.8	175.6	-166.4	72	0	0	0	109.1	R263 N326 R340 N344	R263-N342 PolarHBondContact NH1-O 3.38Å; N326-N342 WeakPolarHBondContact OD1-CA 3.46Å; R340-N342 PolarHBondContact O-N 3.46Å; N342-N344 PolarHBondContact ND2-ND2 2.92Å; N342-N344 PolarHBondContact O-ND2 3.44Å
343	V	95.8	Very high	94.1	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.024	27%	0.266	C	S	.	.			trans	-77.8	146.1	173.1	61.5	0	0	0	0	109.3	A257 L262 R263 E322 I325 N326 L345	A257-V343 HydrophobicContact CB-CB 4.05Å; A257-V343 HydrophobicContact CB-CG1 3.93Å; L262-V343 HydrophobicContact CD2-CG2 4.06Å; L262-V343 HydrophobicContact CG-CG2 3.93Å; R263-V343 CarbonylContact O-C 3.47Å; R263-V343 WeakPolarHBondContact O-CA 3.17Å; E322-V343 HydrophobicContact CG-CG1 4.37Å; I325-V343 HydrophobicContact CG2-CG1 4.2Å; N326-V343 PolarHBondContact ND2-O 2.96Å; N326-V343 PolarHBondContact OD1-N 3.31Å; V343-L345 HydrophobicContact CG2-CD2 4.3Å
344	N	96.2	Very high	94.1	Very high	43 Å²	43	60.6 Å²	60.6	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.2	173.2	-65.8	-108.3	0	0	0	108.7	R263 T264 M265 N342 R346	R263-N344 PolarHBondContact O-N 3.45Å; T264-N344 CarbonylContact C-O 3.5Å; T264-N344 WeakPolarHBondContact CA-O 3.5Å; M265-N344 PolarHBondContact N-O 3.44Å; N342-N344 PolarHBondContact ND2-ND2 2.92Å; N342-N344 PolarHBondContact O-ND2 3.44Å; N344-R346 HydrophobicContact CB-CG 4.49Å
345	L	94.7	Very high	94.1	Very high	13 Å²	13	64.9 Å²	64.9	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131	172.6	-60.2	-166.9	0	0	0	108.3	M265 A267 N269 W318 E322 V343	M265-L345 HydrophobicContact CB-CD2 3.76Å; M265-L345 HydrophobicContact CE-CD2 3.7Å; M265-L345 HydrophobicContact CG-CD2 4.49Å; M265-L345 WeakPolarHBondContact O-CA 3.39Å; A267-L345 HydrophobicContact CB-CB 4.12Å; A267-L345 HydrophobicContact CB-CD1 4.19Å; A267-L345 HydrophobicContact CB-CD2 4.45Å; A267-L345 HydrophobicContact CB-CG 4.49Å; N269-L345 PolarHBondContact ND2-O 3.3Å; N269-L345 VanDerWaalsContact OD1-CB 3.31Å; N269-L345 WeakPolarHBondContact OD1-CB 3.4Å; N269-L345 PolarHBondContact OD1-O 3.3Å; W318-L345 HydrophobicContact CB-CD1 3.85Å; W318-L345 HydrophobicContact CE3-CD1 4.32Å; W318-L345 VanDerWaalsContact O-CD1 3.24Å; W318-L345 WeakPolarHBondContact O-CD1 3.36Å; E322-L345 HydrophobicContact CB-CD1 4.04Å; E322-L345 HydrophobicContact CB-CG 3.99Å; E322-L345 HydrophobicContact CG-CG 4.34Å; E322-L345 VanDerWaalsContact OE2-CB 3.32Å; E322-L345 WeakPolarHBondContact OE2-CB 3.35Å; E322-L345 PolarHBondContact OE2-N 3.41Å; V343-L345 HydrophobicContact CG2-CD2 4.3Å
346	R	93	Very high	94.1	Very high	56 Å²	56	62.8 Å²	62.8	21%	0.211	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.4	-168.1	-61.3	-168	-176.4	-74.8	-0.4	111.8	T264 M265 R266 A267 N344 N348 N352 W355	T264-R346 WeakPolarHBondContact OG1-CD 3.28Å; T264-R346 PolarHBondContact OG1-NE 3.17Å; M265-R346 PolarHBondContact O-N 2.68Å; R266-R346 PolarHBondContact NH1-O 3.41Å; A267-R346 PolarHBondContact N-O 2.97Å; A267-R346 CarbonylContact O-C 3.58Å; N344-R346 HydrophobicContact CB-CG 4.49Å; R346-N348 VanDerWaalsContact C-N 3.32Å; R346-N348 PolarHBondContact O-N 2.9Å; R346-N352 HydrophobicContact CB-CB 4.17Å; R346-W355 VanDerWaalsContact CZ-CD1 3.41Å
347	S	92.6	Very high	94.3	Very high	58 Å²	58	58 Å²	58	41%	0.406	28%	0.28	S	S	.	.	S	Bend	trans	-73	-16.3	174.8	-56.2	0	0	0	0	114.3	R266 A267 N269	R266-S347 VanDerWaalsContact CZ-C 3.42Å; R266-S347 PolarHBondContact NH1-O 2.83Å; R266-S347 PolarHBondContact NH2-O 2.99Å; A267-S347 VanDerWaalsContact O-CA 3.3Å; A267-S347 WeakPolarHBondContact O-CA 3.43Å; A267-S347 PolarHBondContact O-N 3.11Å; N269-S347 PolarHBondContact N-OG 3.35Å
348	N	93.3	Very high	94.3	Very high	74 Å²	74	60.4 Å²	60.4	40%	0.396	29%	0.294	S	S	.	.			trans	-103.5	120.8	-178.9	-175.7	-54.2	0	0	0	111.2	R346 F350 T351 N352	R346-N348 VanDerWaalsContact C-N 3.32Å; R346-N348 PolarHBondContact O-N 2.9Å; N348-F350 PolarHBondContact O-N 2.83Å; N348-F350 WeakPolarHBondContact OD1-CA 3.32Å; N348-F350 WeakPolarHBondContact OD1-CB 3.45Å; N348-F350 PolarHBondContact OD1-N 2.91Å; N348-T351 PolarHBondContact O-N 3.48Å; N348-T351 PolarHBondContact OD1-N 2.98Å; N348-T351 VanDerWaalsContact OD1-N 3.08Å; N348-T351 PolarHBondContact OD1-OG1 3.12Å; N348-N352 WeakPolarHBondContact O-CB 3.47Å; N348-N352 PolarHBondContact O-N 3.32Å
349	P	91.3	Very high	94.4	Very high	70 Å²	70	58 Å²	58	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-42.8	179.4	-22.1	30.6	0	0	0	113.8	N352 Q353	P349-N352 PolarHBondContact O-N 3.02Å; P349-Q353 WeakPolarHBondContact O-CB 3.46Å; P349-Q353 PolarHBondContact O-N 2.9Å
350	F	94.3	Very high	94.5	Very high	169 Å²	169	55.6 Å²	55.6	74%	0.741	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-44.3	-178.9	-60.6	-76	0	0	0	111.5	N348 N352 Q353 Y354	N348-F350 PolarHBondContact O-N 2.83Å; N348-F350 WeakPolarHBondContact OD1-CA 3.32Å; N348-F350 WeakPolarHBondContact OD1-CB 3.45Å; N348-F350 PolarHBondContact OD1-N 2.91Å; F350-N352 VanDerWaalsContact C-N 3.34Å; F350-Q353 PolarHBondContact O-N 2.83Å; F350-Y354 WeakPolarHBondContact O-CB 3.45Å; F350-Y354 PolarHBondContact O-N 3.27Å
351	T	94.6	Very high	94.6	Very high	53 Å²	53	54.2 Å²	54.2	33%	0.325	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.7	-48.1	0	0	0	0	110.9	N348 Y354 W355	N348-T351 PolarHBondContact O-N 3.48Å; N348-T351 PolarHBondContact OD1-N 2.98Å; N348-T351 VanDerWaalsContact OD1-N 3.08Å; N348-T351 PolarHBondContact OD1-OG1 3.12Å; T351-Y354 PolarHBondContact O-N 2.89Å; T351-W355 PolarHBondContact O-N 2.91Å
352	N	94.3	Very high	94.7	Very high	16 Å²	16	58.3 Å²	58.3	9%	0.086	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-41.8	175.7	-175.1	60.2	0	0	0	112.2	T264 M265 R346 N348 P349 F350 W355 T356	T264-N352 PolarHBondContact OG1-OD1 3.18Å; M265-N352 PolarHBondContact N-OD1 3.11Å; R346-N352 HydrophobicContact CB-CB 4.17Å; N348-N352 WeakPolarHBondContact O-CB 3.47Å; N348-N352 PolarHBondContact O-N 3.32Å; P349-N352 PolarHBondContact O-N 3.02Å; F350-N352 VanDerWaalsContact C-N 3.34Å; N352-W355 PolarHBondContact O-N 2.98Å; N352-T356 VanDerWaalsContact O-CB 3.27Å; N352-T356 WeakPolarHBondContact O-CB 3.42Å; N352-T356 PolarHBondContact O-N 2.93Å; N352-T356 PolarHBondContact O-OG1 3.13Å
353	Q	94.8	Very high	94.6	Very high	118 Å²	118	57.7 Å²	57.7	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-64.2	-45.4	178.2	-175.4	62.2	12.9	0	0	111.5	P349 F350 W355 T356 T357	P349-Q353 WeakPolarHBondContact O-CB 3.46Å; P349-Q353 PolarHBondContact O-N 2.9Å; F350-Q353 PolarHBondContact O-N 2.83Å; Q353-W355 PolarHBondContact O-N 3.42Å; Q353-T356 WeakPolarHBondContact O-CB 3.41Å; Q353-T356 PolarHBondContact O-N 2.9Å; Q353-T357 PolarHBondContact O-N 3.32Å; Q353-T357 PolarHBondContact O-OG1 3.24Å
354	Y	96.3	Very high	94.5	Very high	136 Å²	136	57.5 Å²	57.5	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-54.7	-52.5	173.9	171.6	-96.3	0	0	0	111.2	F350 T351 T356 T357 V358	F350-Y354 WeakPolarHBondContact O-CB 3.45Å; F350-Y354 PolarHBondContact O-N 3.27Å; T351-Y354 PolarHBondContact O-N 2.89Å; Y354-T356 VanDerWaalsContact C-N 3.29Å; Y354-T356 PolarHBondContact O-N 3.48Å; Y354-T357 PolarHBondContact O-N 3.02Å; Y354-V358 HydrophobicContact CD1-CG2 4.49Å; Y354-V358 HydrophobicContact CD2-CG2 4.29Å; Y354-V358 HydrophobicContact CE1-CG2 4.1Å; Y354-V358 HydrophobicContact CE2-CG2 3.89Å; Y354-V358 WeakPolarHBondContact O-CB 3.09Å; Y354-V358 WeakPolarHBondContact O-CG2 3.36Å; Y354-V358 PolarHBondContact O-N 3.41Å
355	W	95.8	Very high	94.5	Very high	90 Å²	90	59.8 Å²	59.8	34%	0.341	31%	0.307	S	S	.	.	H	α-helix	trans	-69.2	-27.4	-179.9	-76.7	112.1	0	0	0	113.1	T264 R346 T351 N352 Q353 V358 S359	T264-W355 HydrophobicContact CG2-CB 3.81Å; R346-W355 VanDerWaalsContact CZ-CD1 3.41Å; T351-W355 PolarHBondContact O-N 2.91Å; N352-W355 PolarHBondContact O-N 2.98Å; Q353-W355 PolarHBondContact O-N 3.42Å; W355-V358 HydrophobicContact CE3-CB 4.38Å; W355-V358 HydrophobicContact CE3-CG1 4.24Å; W355-V358 HydrophobicContact CZ3-CG1 4.13Å; W355-S359 WeakPolarHBondContact O-CA 3.42Å; W355-S359 WeakPolarHBondContact O-CB 3.33Å; W355-S359 PolarHBondContact O-N 2.88Å; W355-S359 PolarHBondContact O-OG 3.26Å
356	T	95.6	Very high	94.5	Very high	12 Å²	12	64.8 Å²	64.8	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-47.9	173.7	-66.8	0	0	0	0	109.8	T264 N352 Q353 Y354 H360 T361 H388	T264-T356 WeakPolarHBondContact CG2-OG1 3.21Å; N352-T356 VanDerWaalsContact O-CB 3.27Å; N352-T356 WeakPolarHBondContact O-CB 3.42Å; N352-T356 PolarHBondContact O-N 2.93Å; N352-T356 PolarHBondContact O-OG1 3.13Å; Q353-T356 WeakPolarHBondContact O-CB 3.41Å; Q353-T356 PolarHBondContact O-N 2.9Å; Y354-T356 VanDerWaalsContact C-N 3.29Å; Y354-T356 PolarHBondContact O-N 3.48Å; T356-H360 WeakPolarHBondContact O-CA 3.15Å; T356-H360 WeakPolarHBondContact O-CB 2.9Å; T356-H360 PolarHBondContact O-N 2.83Å; T356-T361 PolarHBondContact O-N 2.85Å; T356-T361 VanDerWaalsContact O-N 3.08Å; T356-H388 VanDerWaalsContact CG2-CE1 3.47Å; T356-H388 WeakPolarHBondContact CG2-CE1 3.37Å
357	T	95.3	Very high	94.5	Very high	66 Å²	66	65.1 Å²	65.1	41%	0.405	34%	0.335	S	S	.	.	I	π-helix	trans	-61.2	-49.2	175.6	-58.1	0	0	0	0	111.6	Q353 Y354 T361 L362	Q353-T357 PolarHBondContact O-N 3.32Å; Q353-T357 PolarHBondContact O-OG1 3.24Å; Y354-T357 PolarHBondContact O-N 3.02Å; T357-T361 PolarHBondContact O-N 3.21Å; T357-L362 WeakPolarHBondContact O-CB 3.09Å; T357-L362 PolarHBondContact O-N 3.35Å
358	V	95.2	Very high	94.6	Very high	53 Å²	53	63 Å²	63	32%	0.321	32%	0.319	S	S	.	.	I	π-helix	trans	-72.9	-38.1	-174.7	172.9	0	0	0	0	112.9	Y354 W355 P363	Y354-V358 HydrophobicContact CD1-CG2 4.49Å; Y354-V358 HydrophobicContact CD2-CG2 4.29Å; Y354-V358 HydrophobicContact CE1-CG2 4.1Å; Y354-V358 HydrophobicContact CE2-CG2 3.89Å; Y354-V358 WeakPolarHBondContact O-CB 3.09Å; Y354-V358 WeakPolarHBondContact O-CG2 3.36Å; Y354-V358 PolarHBondContact O-N 3.41Å; W355-V358 HydrophobicContact CE3-CB 4.38Å; W355-V358 HydrophobicContact CE3-CG1 4.24Å; W355-V358 HydrophobicContact CZ3-CG1 4.13Å; V358-P363 WeakPolarHBondContact O-CD 3.32Å; V358-P363 WeakPolarHBondContact O-CG 3.34Å
359	S	94.7	Very high	94.8	Very high	19 Å²	19	61 Å²	61	13%	0.133	32%	0.316	C	S	.	.	I	π-helix	trans	-105.3	-17	-171	-62.3	0	0	0	0	114.6	R339 W355	R339-S359 VanDerWaalsContact CZ-O 3.26Å; R339-S359 PolarHBondContact NH1-O 3.1Å; R339-S359 PolarHBondContact NH2-O 3.16Å; W355-S359 WeakPolarHBondContact O-CA 3.42Å; W355-S359 WeakPolarHBondContact O-CB 3.33Å; W355-S359 PolarHBondContact O-N 2.88Å; W355-S359 PolarHBondContact O-OG 3.26Å
360	H	95.3	Very high	94.9	Very high	1 Å²	1	64 Å²	64	1%	0.005	32%	0.319	C	S	.	.	I	π-helix	trans	-111.4	-64.2	174.8	-56.3	154.5	0	0	0	111.3	I261 R263 T264 T356 A364 I384 H388	I261-H360 PolarHBondContact O-CD2 3.39Å; R263-H360 WeakPolarHBondContact CB-NE2 3.47Å; R263-H360 PolarHBondContact N-NE2 3.22Å; T264-H360 PolarHBondContact N-NE2 3.22Å; T264-H360 PolarHBondContact O-CE1 3.13Å; T356-H360 WeakPolarHBondContact O-CA 3.15Å; T356-H360 WeakPolarHBondContact O-CB 2.9Å; T356-H360 PolarHBondContact O-N 2.83Å; H360-A364 VanDerWaalsContact O-CB 3.24Å; H360-A364 WeakPolarHBondContact O-CB 3.41Å; H360-A364 PolarHBondContact O-N 3.13Å; H360-I384 HydrophobicContact CB-CD1 4.16Å; H360-I384 HydrophobicContact CB-CG2 3.93Å; H360-H388 AromaticContact CG-NE2 3.65Å; H360-H388 AromaticContact ND1-CD2 3.95Å; H360-H388 AromaticContact ND1-NE2 3.18Å; H360-H388 PolarHBondContact ND1-NE2 3.22Å; H360-H388 VanDerWaalsContact ND1-NE2 3.18Å
361	T	95.3	Very high	95	Very high	39 Å²	39	56.6 Å²	56.6	24%	0.239	29%	0.287	C	S	.	.	I	π-helix	trans	-67.6	-54.2	-167.5	-50.1	0	0	0	0	112.4	T356 T357 A364 L365 M381	T356-T361 PolarHBondContact O-N 2.85Å; T356-T361 VanDerWaalsContact O-N 3.08Å; T357-T361 PolarHBondContact O-N 3.21Å; T361-A364 PolarHBondContact O-N 2.96Å; T361-L365 HydrophobicContact CG2-CD1 4.04Å; T361-L365 HydrophobicContact CG2-CG 4.47Å; T361-L365 WeakPolarHBondContact O-CG 3.22Å; T361-L365 PolarHBondContact O-N 2.83Å; T361-M381 HydrophobicContact CG2-CE 4.29Å
362	L	95	Very high	95	Very high	87 Å²	87	58 Å²	58	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-48.9	-177.2	176.6	67.2	0	0	0	112.4	T357 A364 L365 L366	T357-L362 WeakPolarHBondContact O-CB 3.09Å; T357-L362 PolarHBondContact O-N 3.35Å; L362-A364 VanDerWaalsContact C-N 3.28Å; L362-A364 PolarHBondContact O-N 2.92Å; L362-L365 PolarHBondContact O-N 3.06Å; L362-L366 HydrophobicContact CD1-CD1 4.19Å; L362-L366 HydrophobicContact CD1-CG 4.19Å; L362-L366 HydrophobicContact CG-CD1 4.12Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.3Å; L362-L366 PolarHBondContact O-N 2.92Å
363	P	92.8	Very high	95.1	Very high	34 Å²	34	64.5 Å²	64.5	22%	0.221	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-34.6	176.2	-25.6	35.9	0	0	0	113.6	V358 Y367	V358-P363 WeakPolarHBondContact O-CD 3.32Å; V358-P363 WeakPolarHBondContact O-CG 3.34Å; P363-Y367 VanDerWaalsContact O-CB 3.29Å; P363-Y367 WeakPolarHBondContact O-CB 3.21Å; P363-Y367 PolarHBondContact O-N 3Å
364	A	94.7	Very high	95.2	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.7	-42.6	177.9	0	0	0	0	0	112.2	H360 T361 L362 Y367 D368 M380 M381 I384	H360-A364 VanDerWaalsContact O-CB 3.24Å; H360-A364 WeakPolarHBondContact O-CB 3.41Å; H360-A364 PolarHBondContact O-N 3.13Å; T361-A364 PolarHBondContact O-N 2.96Å; L362-A364 VanDerWaalsContact C-N 3.28Å; L362-A364 PolarHBondContact O-N 2.92Å; A364-Y367 PolarHBondContact O-N 3.25Å; A364-D368 WeakPolarHBondContact O-CB 3.46Å; A364-D368 PolarHBondContact O-N 3.35Å; A364-M380 HydrophobicContact CB-CB 4.16Å; A364-M380 HydrophobicContact CB-CG 3.57Å; A364-M381 HydrophobicContact CB-CG 4.2Å; A364-M381 HydrophobicContact CB-SD 3.45Å; A364-M381 WeakPolarHBondContact CB-SD 3.4Å; A364-I384 HydrophobicContact CB-CB 4.43Å; A364-I384 HydrophobicContact CB-CG1 3.76Å
365	L	95.8	Very high	95.1	Very high	92 Å²	92	60.9 Å²	60.9	48%	0.482	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-46.9	173.5	-72.3	172	0	0	0	111.6	T361 L362 Y367 D368 G369 M381	T361-L365 HydrophobicContact CG2-CD1 4.04Å; T361-L365 HydrophobicContact CG2-CG 4.47Å; T361-L365 WeakPolarHBondContact O-CG 3.22Å; T361-L365 PolarHBondContact O-N 2.83Å; L362-L365 PolarHBondContact O-N 3.06Å; L365-Y367 VanDerWaalsContact C-N 3.34Å; L365-Y367 PolarHBondContact O-N 3.29Å; L365-D368 PolarHBondContact O-N 3.48Å; L365-G369 PolarHBondContact O-N 3.31Å; L365-M381 HydrophobicContact CD2-CE 4.14Å; L365-M381 HydrophobicContact CD2-CG 3.88Å; L365-M381 HydrophobicContact CD2-SD 3.75Å; L365-M381 HydrophobicContact CG-CE 4.41Å; L365-M381 HydrophobicContact CG-CG 4.37Å; L365-M381 HydrophobicContact CG-SD 3.72Å
366	L	94.4	Very high	95	Very high	117 Å²	117	62.2 Å²	62.2	61%	0.613	35%	0.348	S	S	*	.	H	α-helix	trans	-62.1	-42.2	178.4	-68.5	174.2	0	0	0	111.8	L362 G369 Y370	L362-L366 HydrophobicContact CD1-CD1 4.19Å; L362-L366 HydrophobicContact CD1-CG 4.19Å; L362-L366 HydrophobicContact CG-CD1 4.12Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.3Å; L362-L366 PolarHBondContact O-N 2.92Å; L366-G369 PolarHBondContact O-N 3.22Å; L366-Y370 PolarHBondContact O-N 3.01Å
367	Y	93.3	Very high	95	Very high	64 Å²	64	70.7 Å²	70.7	25%	0.251	38%	0.383	S	S	.	.	H	α-helix	trans	-67.3	-41.6	178.4	-177.5	-100.2	0	0	0	112.4	F338 P363 A364 L365 Y370 L371 R379 M380	F338-Y367 HydrophobicContact CE2-CD2 4.4Å; P363-Y367 VanDerWaalsContact O-CB 3.29Å; P363-Y367 WeakPolarHBondContact O-CB 3.21Å; P363-Y367 PolarHBondContact O-N 3Å; A364-Y367 PolarHBondContact O-N 3.25Å; L365-Y367 VanDerWaalsContact C-N 3.34Å; L365-Y367 PolarHBondContact O-N 3.29Å; Y367-Y370 WeakPolarHBondContact O-CB 3.36Å; Y367-Y370 PolarHBondContact O-N 3.46Å; Y367-L371 HydrophobicContact CD1-CD1 3.9Å; Y367-L371 HydrophobicContact CD1-CG 4.3Å; Y367-L371 HydrophobicContact CE1-CD1 3.46Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.46Å; Y367-L371 HydrophobicContact CE1-CD2 4.49Å; Y367-L371 HydrophobicContact CE1-CG 3.99Å; Y367-L371 WeakPolarHBondContact O-CG 3.39Å; Y367-L371 PolarHBondContact O-N 3.44Å; Y367-R379 PolarHBondContact OH-NH2 3.35Å; Y367-M380 HydrophobicContact CD1-CB 3.61Å; Y367-M380 HydrophobicContact CD1-CG 4.19Å; Y367-M380 HydrophobicContact CE1-CB 4.27Å
368	D	95.6	Very high	94.9	Very high	12 Å²	12	71.3 Å²	71.3	6%	0.064	39%	0.388	C	S	.	.	H	α-helix	trans	-69.5	-34.5	176.6	-82.3	-8.1	0	0	0	112.4	A364 L365 L371 T372 P378 R379 M380 M381	A364-D368 WeakPolarHBondContact O-CB 3.46Å; A364-D368 PolarHBondContact O-N 3.35Å; L365-D368 PolarHBondContact O-N 3.48Å; D368-L371 PolarHBondContact O-N 2.94Å; D368-T372 WeakPolarHBondContact O-CB 3.44Å; D368-T372 PolarHBondContact O-N 2.81Å; D368-T372 PolarHBondContact O-OG1 3.38Å; D368-P378 HydrophobicContact CB-CB 3.61Å; D368-P378 VanDerWaalsContact CG-CB 3.49Å; D368-R379 PolarHBondContact OD1-N 2.68Å; D368-R379 PolarHBondContact OD2-N 3.48Å; D368-M380 WeakPolarHBondContact OD1-CB 3.48Å; D368-M380 PolarHBondContact OD1-N 3.37Å; D368-M380 PolarHBondContact OD2-N 3.35Å; D368-M381 VanDerWaalsContact OD2-CB 3.32Å; D368-M381 WeakPolarHBondContact OD2-CB 3.3Å; D368-M381 WeakPolarHBondContact OD2-CG 3.22Å; D368-M381 PolarHBondContact OD2-N 3.42Å
369	G	96.5	Very high	94.8	Very high	33 Å²	33	76.1 Å²	76.1	34%	0.34	40%	0.401	S	S	.	.	H	α-helix	trans	-61.2	-47.2	169.7	0	0	0	0	0	111.7	L365 L366 L371 T372 L373	L365-G369 PolarHBondContact O-N 3.31Å; L366-G369 PolarHBondContact O-N 3.22Å; G369-L371 PolarHBondContact O-N 2.76Å; G369-T372 PolarHBondContact O-N 2.81Å; G369-L373 WeakPolarHBondContact O-CG 3.49Å; G369-L373 PolarHBondContact O-N 2.95Å
370	Y	94.8	Very high	94.7	Very high	133 Å²	133	75.9 Å²	75.9	52%	0.522	40%	0.398	S	S	.	.	H	α-helix	trans	-58	-46.2	173.4	167.6	-99.8	0	0	0	112.4	L366 Y367 T372 L373 M374	L366-Y370 PolarHBondContact O-N 3.01Å; Y367-Y370 WeakPolarHBondContact O-CB 3.36Å; Y367-Y370 PolarHBondContact O-N 3.46Å; Y370-T372 VanDerWaalsContact C-N 3.3Å; Y370-T372 PolarHBondContact O-N 3.29Å; Y370-L373 PolarHBondContact O-N 3.49Å; Y370-M374 HydrophobicContact CD2-CG 4.24Å; Y370-M374 HydrophobicContact CE1-CG 4.19Å; Y370-M374 HydrophobicContact CE2-CG 3.77Å; Y370-M374 HydrophobicContact CE2-SD 4.21Å; Y370-M374 VanDerWaalsContact O-CG 3.32Å; Y370-M374 WeakPolarHBondContact O-CG 3.5Å; Y370-M374 PolarHBondContact O-N 2.8Å; Y370-M374 VanDerWaalsContact O-N 3.07Å
371	L	94.6	Very high	94.6	Very high	13 Å²	13	78.2 Å²	78.2	7%	0.068	41%	0.409	C	S	.	.	H	α-helix	trans	-59.6	-43.2	176.9	-74.5	179.8	0	0	0	111.7	Y367 D368 G369 M374 G375 H376 R379	Y367-L371 HydrophobicContact CD1-CD1 3.9Å; Y367-L371 HydrophobicContact CD1-CG 4.3Å; Y367-L371 HydrophobicContact CE1-CD1 3.46Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.46Å; Y367-L371 HydrophobicContact CE1-CD2 4.49Å; Y367-L371 HydrophobicContact CE1-CG 3.99Å; Y367-L371 WeakPolarHBondContact O-CG 3.39Å; Y367-L371 PolarHBondContact O-N 3.44Å; D368-L371 PolarHBondContact O-N 2.94Å; G369-L371 PolarHBondContact O-N 2.76Å; L371-M374 CarbonylContact O-C 3.59Å; L371-M374 PolarHBondContact O-N 2.88Å; L371-M374 VanDerWaalsContact O-N 3.12Å; L371-G375 PolarHBondContact O-N 3.23Å; L371-H376 CarbonylContact C-O 3.56Å; L371-H376 HydrophobicContact CB-CB 4.1Å; L371-H376 HydrophobicContact CD2-CB 4.05Å; L371-H376 WeakPolarHBondContact O-CA 3.47Å; L371-H376 WeakPolarHBondContact O-CB 3.47Å; L371-H376 PolarHBondContact O-N 3Å; L371-R379 HydrophobicContact CD1-CG 3.88Å
372	T	95.5	Very high	94.6	Very high	82 Å²	82	82.7 Å²	82.7	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-64.1	-42.1	-179.9	-56.5	0	0	0	0	111.3	D368 G369 Y370 M374 G375 H376	D368-T372 WeakPolarHBondContact O-CB 3.44Å; D368-T372 PolarHBondContact O-N 2.81Å; D368-T372 PolarHBondContact O-OG1 3.38Å; G369-T372 PolarHBondContact O-N 2.81Å; Y370-T372 VanDerWaalsContact C-N 3.3Å; Y370-T372 PolarHBondContact O-N 3.29Å; T372-M374 PolarHBondContact O-N 2.76Å; T372-G375 PolarHBondContact O-N 3.33Å; T372-H376 WeakPolarHBondContact CA-O 3.41Å
373	L	96.7	Very high	94.4	Very high	154 Å²	154	81.3 Å²	81.3	81%	0.806	42%	0.421	S	S	*	.	H	α-helix	trans	-62.3	-30.3	174	-70.4	172.2	0	0	0	112.7	G369 Y370 G375	G369-L373 WeakPolarHBondContact O-CG 3.49Å; G369-L373 PolarHBondContact O-N 2.95Å; Y370-L373 PolarHBondContact O-N 3.49Å; L373-G375 VanDerWaalsContact C-N 3.27Å; L373-G375 PolarHBondContact O-N 3.29Å
374	M	95.6	Very high	94.5	Very high	107 Å²	107	79.8 Å²	79.8	53%	0.527	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7	175	-64.7	-66.1	-66	0	0	113.3	Y370 L371 T372 H376	Y370-M374 HydrophobicContact CD2-CG 4.24Å; Y370-M374 HydrophobicContact CE1-CG 4.19Å; Y370-M374 HydrophobicContact CE2-CG 3.77Å; Y370-M374 HydrophobicContact CE2-SD 4.21Å; Y370-M374 VanDerWaalsContact O-CG 3.32Å; Y370-M374 WeakPolarHBondContact O-CG 3.5Å; Y370-M374 PolarHBondContact O-N 2.8Å; Y370-M374 VanDerWaalsContact O-N 3.07Å; L371-M374 CarbonylContact O-C 3.59Å; L371-M374 PolarHBondContact O-N 2.88Å; L371-M374 VanDerWaalsContact O-N 3.12Å; T372-M374 PolarHBondContact O-N 2.76Å; M374-H376 VanDerWaalsContact C-N 3.27Å; M374-H376 PolarHBondContact O-N 3.3Å
375	G	94.3	Very high	94.4	Very high	70 Å²	70	82.9 Å²	82.9	72%	0.722	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	11.9	-178.1	0	0	0	0	0	114.7	L371 T372 L373	L371-G375 PolarHBondContact O-N 3.23Å; T372-G375 PolarHBondContact O-N 3.33Å; L373-G375 VanDerWaalsContact C-N 3.27Å; L373-G375 PolarHBondContact O-N 3.29Å
376	H	94.9	Very high	94.2	Very high	119 Å²	119	86.3 Å²	86.3	55%	0.551	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-95.3	153.4	176.5	-64.9	-49.7	0	0	0	112.2	L371 T372 M374	L371-H376 CarbonylContact C-O 3.56Å; L371-H376 HydrophobicContact CB-CB 4.1Å; L371-H376 HydrophobicContact CD2-CB 4.05Å; L371-H376 WeakPolarHBondContact O-CA 3.47Å; L371-H376 WeakPolarHBondContact O-CB 3.47Å; L371-H376 PolarHBondContact O-N 3Å; T372-H376 WeakPolarHBondContact CA-O 3.41Å; M374-H376 VanDerWaalsContact C-N 3.27Å; M374-H376 PolarHBondContact O-N 3.3Å
377	K	94	Very high	94.1	Very high	189 Å²	189	81.5 Å²	81.5	82%	0.822	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-71.7	135.1	177.3	-66.8	-176.1	178.3	180	0	111.3
378	P	93.2	Very high	94.1	Very high	79 Å²	79	80.5 Å²	80.5	51%	0.513	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-64.2	142.1	174.3	28.6	-35.4	0	0	0	110.6	D368	D368-P378 HydrophobicContact CB-CB 3.61Å; D368-P378 VanDerWaalsContact CG-CB 3.49Å
379	R	93.4	Very high	93.8	Very high	154 Å²	154	86.1 Å²	86.1	58%	0.581	43%	0.433	S	S	*	.			trans	-143.3	-25.2	-174.7	65.1	179.2	-179.1	168.6	0.2	114.8	Y367 D368 L371 K382 T383	Y367-R379 PolarHBondContact OH-NH2 3.35Å; D368-R379 PolarHBondContact OD1-N 2.68Å; D368-R379 PolarHBondContact OD2-N 3.48Å; L371-R379 HydrophobicContact CD1-CG 3.88Å; R379-K382 PolarHBondContact O-N 3.37Å; R379-T383 PolarHBondContact O-N 2.98Å; R379-T383 PolarHBondContact O-OG1 2.87Å
380	M	92.9	Very high	93.4	Very high	14 Å²	14	86.7 Å²	86.7	7%	0.069	43%	0.434	C	S	.	.	H	α-helix	trans	-74.4	-38	-170.9	-171.3	62.9	-179.5	0	0	112.1	I261 F338 A364 Y367 D368 K382 T383 I384	I261-M380 HydrophobicContact CG2-CE 4.19Å; F338-M380 HydrophobicContact CD1-CE 3.94Å; F338-M380 HydrophobicContact CE1-CE 3.75Å; F338-M380 HydrophobicContact CE2-CE 4.49Å; F338-M380 HydrophobicContact CG-CE 4.42Å; F338-M380 HydrophobicContact CZ-CE 4.05Å; A364-M380 HydrophobicContact CB-CB 4.16Å; A364-M380 HydrophobicContact CB-CG 3.57Å; Y367-M380 HydrophobicContact CD1-CB 3.61Å; Y367-M380 HydrophobicContact CD1-CG 4.19Å; Y367-M380 HydrophobicContact CE1-CB 4.27Å; D368-M380 WeakPolarHBondContact OD1-CB 3.48Å; D368-M380 PolarHBondContact OD1-N 3.37Å; D368-M380 PolarHBondContact OD2-N 3.35Å; M380-K382 VanDerWaalsContact C-N 3.29Å; M380-K382 PolarHBondContact O-N 2.95Å; M380-T383 WeakPolarHBondContact O-CB 3.46Å; M380-T383 PolarHBondContact O-N 2.77Å; M380-T383 VanDerWaalsContact O-N 3.13Å; M380-I384 HydrophobicContact CE-CD1 4.07Å; M380-I384 HydrophobicContact CE-CG1 4.19Å; M380-I384 PolarHBondContact O-N 3.09Å
381	M	94.5	Very high	93.1	Very high	50 Å²	50	81 Å²	81	25%	0.246	41%	0.412	C	S	.	.	H	α-helix	trans	-60.4	-40.9	173.6	-76.1	-57.9	-59.5	0	0	111.5	T361 A364 L365 D368 T383 I384 T385	T361-M381 HydrophobicContact CG2-CE 4.29Å; A364-M381 HydrophobicContact CB-CG 4.2Å; A364-M381 HydrophobicContact CB-SD 3.45Å; A364-M381 WeakPolarHBondContact CB-SD 3.4Å; L365-M381 HydrophobicContact CD2-CE 4.14Å; L365-M381 HydrophobicContact CD2-CG 3.88Å; L365-M381 HydrophobicContact CD2-SD 3.75Å; L365-M381 HydrophobicContact CG-CE 4.41Å; L365-M381 HydrophobicContact CG-CG 4.37Å; L365-M381 HydrophobicContact CG-SD 3.72Å; D368-M381 VanDerWaalsContact OD2-CB 3.32Å; D368-M381 WeakPolarHBondContact OD2-CB 3.3Å; D368-M381 WeakPolarHBondContact OD2-CG 3.22Å; D368-M381 PolarHBondContact OD2-N 3.42Å; M381-T383 VanDerWaalsContact C-N 3.3Å; M381-T383 PolarHBondContact O-N 3.14Å; M381-I384 PolarHBondContact O-N 3.24Å; M381-T385 WeakPolarHBondContact O-CB 3.35Å; M381-T385 PolarHBondContact O-N 2.97Å; M381-T385 PolarHBondContact O-OG1 3.25Å
382	K	93.5	Very high	92.8	Very high	133 Å²	133	86.7 Å²	86.7	58%	0.578	44%	0.44	S	S	*	.	H	α-helix	trans	-59.8	-40.9	174.9	-171.5	176.8	-176.8	175.4	0	112	R379 M380 R386	R379-K382 PolarHBondContact O-N 3.37Å; M380-K382 VanDerWaalsContact C-N 3.29Å; M380-K382 PolarHBondContact O-N 2.95Å; K382-R386 WeakPolarHBondContact O-CG 3.4Å; K382-R386 PolarHBondContact O-N 3.43Å
383	T	92.6	Very high	92.3	Very high	59 Å²	59	84 Å²	84	36%	0.362	42%	0.424	S	S	.	.	H	α-helix	trans	-65.4	-47.1	175.5	-59.4	0	0	0	0	111.6	I261 R379 M380 M381 R386 L387	I261-T383 HydrophobicContact CD1-CG2 4.48Å; I261-T383 HydrophobicContact CG2-CG2 4.38Å; R379-T383 PolarHBondContact O-N 2.98Å; R379-T383 PolarHBondContact O-OG1 2.87Å; M380-T383 WeakPolarHBondContact O-CB 3.46Å; M380-T383 PolarHBondContact O-N 2.77Å; M380-T383 VanDerWaalsContact O-N 3.13Å; M381-T383 VanDerWaalsContact C-N 3.3Å; M381-T383 PolarHBondContact O-N 3.14Å; T383-R386 PolarHBondContact O-N 2.94Å; T383-L387 PolarHBondContact O-N 3.23Å
384	I	93.8	Very high	92	Very high	1 Å²	1	78 Å²	78	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-64.2	-42.1	178.5	-70.2	-55.5	0	0	0	111.8	I261 H360 A364 M380 M381 R386 L387 H388	I261-I384 HydrophobicContact CG2-CD1 3.75Å; H360-I384 HydrophobicContact CB-CD1 4.16Å; H360-I384 HydrophobicContact CB-CG2 3.93Å; A364-I384 HydrophobicContact CB-CB 4.43Å; A364-I384 HydrophobicContact CB-CG1 3.76Å; M380-I384 HydrophobicContact CE-CD1 4.07Å; M380-I384 HydrophobicContact CE-CG1 4.19Å; M380-I384 PolarHBondContact O-N 3.09Å; M381-I384 PolarHBondContact O-N 3.24Å; I384-R386 VanDerWaalsContact C-N 3.31Å; I384-R386 PolarHBondContact O-N 2.65Å; I384-L387 HydrophobicContact CD1-CD2 4.29Å; I384-L387 WeakPolarHBondContact O-CB 3.46Å; I384-L387 PolarHBondContact O-N 3.45Å; I384-L387 VanDerWaalsContact O-N 3.15Å; I384-H388 WeakPolarHBondContact CG2-CE1 3.48Å; I384-H388 WeakPolarHBondContact CG2-NE2 3.12Å; I384-H388 PolarHBondContact O-N 2.93Å
385	T	93.5	Very high	91.8	Very high	66 Å²	66	76.6 Å²	76.6	41%	0.405	39%	0.385	S	S	.	.	H	α-helix	trans	-61	-40.5	176.3	-58.9	0	0	0	0	111.7	M381 K389	M381-T385 WeakPolarHBondContact O-CB 3.35Å; M381-T385 PolarHBondContact O-N 2.97Å; M381-T385 PolarHBondContact O-OG1 3.25Å; T385-K389 WeakPolarHBondContact O-CG 3.27Å; T385-K389 PolarHBondContact O-N 3.07Å
386	R	90.9	Very high	91.7	Very high	163 Å²	163	75.9 Å²	75.9	62%	0.615	36%	0.36	S	S	*	.	H	α-helix	trans	-64.7	-42.4	174.4	-73.7	173.2	176	-174	-5.4	111.7	K382 T383 I384 K389 A390	K382-R386 WeakPolarHBondContact O-CG 3.4Å; K382-R386 PolarHBondContact O-N 3.43Å; T383-R386 PolarHBondContact O-N 2.94Å; I384-R386 VanDerWaalsContact C-N 3.31Å; I384-R386 PolarHBondContact O-N 2.65Å; R386-K389 PolarHBondContact O-N 3.49Å; R386-A390 PolarHBondContact O-N 3.35Å; R386-A390 VanDerWaalsContact O-N 3.08Å
387	L	91.9	Very high	91.6	Very high	16 Å²	16	70.6 Å²	70.6	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-46.7	176.3	177	63.2	0	0	0	111.5	I253 A256 I261 L262 T383 I384 K389 A390 M391	I253-L387 HydrophobicContact CD1-CD1 4.22Å; A256-L387 HydrophobicContact CB-CD1 3.9Å; I261-L387 HydrophobicContact CG2-CD2 3.9Å; L262-L387 HydrophobicContact CB-CD2 4.05Å; L262-L387 HydrophobicContact CD1-CD1 4.32Å; L262-L387 HydrophobicContact CD1-CD2 4.02Å; L262-L387 HydrophobicContact CD1-CG 4.38Å; T383-L387 PolarHBondContact O-N 3.23Å; I384-L387 HydrophobicContact CD1-CD2 4.29Å; I384-L387 WeakPolarHBondContact O-CB 3.46Å; I384-L387 PolarHBondContact O-N 3.45Å; I384-L387 VanDerWaalsContact O-N 3.15Å; L387-K389 PolarHBondContact O-N 3.21Å; L387-A390 PolarHBondContact O-N 3.04Å; L387-M391 HydrophobicContact CD1-CG 4.33Å; L387-M391 HydrophobicContact CD1-SD 4.27Å; L387-M391 HydrophobicContact CD2-SD 4.45Å; L387-M391 HydrophobicContact CG-CG 4.44Å; L387-M391 HydrophobicContact CG-SD 3.84Å; L387-M391 VanDerWaalsContact O-CG 3.28Å; L387-M391 WeakPolarHBondContact O-CG 3.49Å; L387-M391 PolarHBondContact O-N 3.09Å
388	H	92.8	Very high	91.6	Very high	43 Å²	43	61.8 Å²	61.8	20%	0.199	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-41.5	178	-69.5	172.3	0	0	0	112.1	T356 H360 I384 A390 M391 M392	T356-H388 VanDerWaalsContact CG2-CE1 3.47Å; T356-H388 WeakPolarHBondContact CG2-CE1 3.37Å; H360-H388 AromaticContact CG-NE2 3.65Å; H360-H388 AromaticContact ND1-CD2 3.95Å; H360-H388 AromaticContact ND1-NE2 3.18Å; H360-H388 PolarHBondContact ND1-NE2 3.22Å; H360-H388 VanDerWaalsContact ND1-NE2 3.18Å; I384-H388 WeakPolarHBondContact CG2-CE1 3.48Å; I384-H388 WeakPolarHBondContact CG2-NE2 3.12Å; I384-H388 PolarHBondContact O-N 2.93Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-A390 PolarHBondContact O-N 3.36Å; H388-M391 PolarHBondContact O-N 3.38Å; H388-M392 WeakPolarHBondContact O-CG 3.27Å; H388-M392 PolarHBondContact O-N 3.34Å
389	K	89.1	Confident	91.6	Very high	131 Å²	131	59.3 Å²	59.3	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-57.5	-45.6	173	-75.4	-177	178.9	-167.2	0	111.7	T385 R386 L387 V393	T385-K389 WeakPolarHBondContact O-CG 3.27Å; T385-K389 PolarHBondContact O-N 3.07Å; R386-K389 PolarHBondContact O-N 3.49Å; L387-K389 PolarHBondContact O-N 3.21Å; K389-V393 VanDerWaalsContact O-CG2 3.28Å; K389-V393 WeakPolarHBondContact O-CG2 3.19Å; K389-V393 PolarHBondContact O-N 3.39Å
390	A	87.9	Confident	91.6	Very high	45 Å²	45	56.3 Å²	56.3	37%	0.372	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176.1	0	0	0	0	0	112.5	R386 L387 H388 V393 L394	R386-A390 PolarHBondContact O-N 3.35Å; R386-A390 VanDerWaalsContact O-N 3.08Å; L387-A390 PolarHBondContact O-N 3.04Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-A390 PolarHBondContact O-N 3.36Å; A390-V393 PolarHBondContact O-N 3.47Å; A390-L394 WeakPolarHBondContact O-CG 3.28Å; A390-L394 PolarHBondContact O-N 2.85Å
391	M	90.4	Very high	91.6	Very high	12 Å²	12	58.2 Å²	58.2	6%	0.059	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-44.5	177.9	-68.8	163.3	57.5	0	0	112.6	I253 L262 T264 M265 L387 H388 V393 L394 E395	I253-M391 HydrophobicContact CD1-CG 4.34Å; L262-M391 HydrophobicContact CD1-CE 4.03Å; L262-M391 HydrophobicContact CD1-CG 4.32Å; L262-M391 HydrophobicContact CD1-SD 3.48Å; L262-M391 WeakPolarHBondContact CD1-SD 3.44Å; T264-M391 WeakPolarHBondContact O-CE 3.24Å; M265-M391 HydrophobicContact CB-CE 3.95Å; M265-M391 HydrophobicContact CG-CB 4.48Å; M265-M391 HydrophobicContact CG-CE 3.94Å; M265-M391 HydrophobicContact CG-CG 4.22Å; M265-M391 HydrophobicContact SD-CG 4.3Å; L387-M391 HydrophobicContact CD1-CG 4.33Å; L387-M391 HydrophobicContact CD1-SD 4.27Å; L387-M391 HydrophobicContact CD2-SD 4.45Å; L387-M391 HydrophobicContact CG-CG 4.44Å; L387-M391 HydrophobicContact CG-SD 3.84Å; L387-M391 VanDerWaalsContact O-CG 3.28Å; L387-M391 WeakPolarHBondContact O-CG 3.49Å; L387-M391 PolarHBondContact O-N 3.09Å; H388-M391 PolarHBondContact O-N 3.38Å; M391-V393 VanDerWaalsContact C-N 3.26Å; M391-V393 PolarHBondContact O-N 3.32Å; M391-L394 PolarHBondContact O-N 2.88Å; M391-L394 VanDerWaalsContact O-N 3.09Å; M391-E395 PolarHBondContact O-N 3.04Å
392	M	87.4	Confident	91.7	Very high	133 Å²	133	56.7 Å²	56.7	66%	0.655	28%	0.281	S	S	*	.	H	α-helix	trans	-60.4	-38.9	-179.6	-72.3	-161.5	-51.2	0	0	112	H388 L394 E395	H388-M392 WeakPolarHBondContact O-CG 3.27Å; H388-M392 PolarHBondContact O-N 3.34Å; M392-L394 PolarHBondContact O-N 3.37Å; M392-E395 WeakPolarHBondContact O-CB 3.31Å; M392-E395 PolarHBondContact O-N 3.02Å
393	V	85.4	Confident	91.8	Very high	26 Å²	26	54.7 Å²	54.7	16%	0.158	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-28.4	178.5	172.4	0	0	0	0	112.4	F117 N118 K389 A390 M391	F117-V393 HydrophobicContact CB-CG1 3.32Å; F117-V393 HydrophobicContact CD2-CG1 3.31Å; F117-V393 HydrophobicContact CE2-CG1 4.35Å; F117-V393 HydrophobicContact CG-CG1 3.63Å; N118-V393 WeakPolarHBondContact ND2-CG2 3.22Å; N118-V393 WeakPolarHBondContact OD1-CG2 3.29Å; K389-V393 VanDerWaalsContact O-CG2 3.28Å; K389-V393 WeakPolarHBondContact O-CG2 3.19Å; K389-V393 PolarHBondContact O-N 3.39Å; A390-V393 PolarHBondContact O-N 3.47Å; M391-V393 VanDerWaalsContact C-N 3.26Å; M391-V393 PolarHBondContact O-N 3.32Å
394	L	89.1	Confident	91.9	Very high	27 Å²	27	52.3 Å²	52.3	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-89.9	-17.5	-180	-64.7	174.8	0	0	0	113.1	F117 I253 A390 M391 M392 Y396 F397 T398	F117-L394 HydrophobicContact CE2-CD2 4.19Å; I253-L394 HydrophobicContact CD1-CD1 4.04Å; I253-L394 HydrophobicContact CG1-CD1 3.68Å; A390-L394 WeakPolarHBondContact O-CG 3.28Å; A390-L394 PolarHBondContact O-N 2.85Å; M391-L394 PolarHBondContact O-N 2.88Å; M391-L394 VanDerWaalsContact O-N 3.09Å; M392-L394 PolarHBondContact O-N 3.37Å; L394-Y396 PolarHBondContact O-N 3.34Å; L394-Y396 VanDerWaalsContact O-N 3.14Å; L394-F397 WeakPolarHBondContact O-CA 3.34Å; L394-F397 PolarHBondContact O-N 3.5Å; L394-T398 HydrophobicContact CB-CG2 4.31Å; L394-T398 WeakPolarHBondContact O-CG2 3.49Å; L394-T398 PolarHBondContact O-N 3.47Å; L394-T398 PolarHBondContact O-OG1 3.19Å
395	E	91.6	Very high	92	Very high	79 Å²	79	54.7 Å²	54.7	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-54.1	-38.8	-171.6	-179.3	169.3	155.9	0	0	113.2	R266 M391 M392 T398 S399	R266-E395 HydrophobicContact CB-CG 3.94Å; R266-E395 HydrophobicContact CG-CG 3.73Å; R266-E395 WeakPolarHBondContact CG-OE1 3.47Å; M391-E395 PolarHBondContact O-N 3.04Å; M392-E395 WeakPolarHBondContact O-CB 3.31Å; M392-E395 PolarHBondContact O-N 3.02Å; E395-T398 WeakPolarHBondContact CA-OG1 3.4Å; E395-T398 PolarHBondContact O-N 2.85Å; E395-T398 PolarHBondContact O-OG1 3.36Å; E395-S399 WeakPolarHBondContact O-CB 3.48Å; E395-S399 PolarHBondContact O-N 3.1Å; E395-S399 PolarHBondContact O-OG 3.48Å
396	Y	92.1	Very high	92.1	Very high	54 Å²	54	52.5 Å²	52.5	21%	0.212	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-47.6	176.3	-174.3	-93.5	0	0	0	111.5	C158 P201 L394 S399 H400 W402	C158-Y396 HydrophobicContact CB-CE1 4.12Å; C158-Y396 PolarHBondContact O-OH 3.06Å; P201-Y396 HydrophobicContact CB-CD1 3.67Å; P201-Y396 HydrophobicContact CB-CD2 3.94Å; P201-Y396 HydrophobicContact CB-CE1 4.19Å; P201-Y396 HydrophobicContact CB-CE2 4.46Å; P201-Y396 HydrophobicContact CB-CG 3.52Å; P201-Y396 HydrophobicContact CG-CD1 3.49Å; P201-Y396 VanDerWaalsContact CG-CD1 3.49Å; P201-Y396 HydrophobicContact CG-CE1 3.72Å; P201-Y396 HydrophobicContact CG-CG 3.91Å; L394-Y396 PolarHBondContact O-N 3.34Å; L394-Y396 VanDerWaalsContact O-N 3.14Å; Y396-S399 PolarHBondContact O-N 2.49Å; Y396-H400 AromaticContact CD2-CE1 3.9Å; Y396-H400 AromaticContact CD2-ND1 3.97Å; Y396-H400 PolarHBondContact O-N 3.2Å; Y396-H400 PolarHBondContact O-ND1 3.42Å; Y396-W402 HydrophobicContact CD1-CH2 4.21Å; Y396-W402 HydrophobicContact CD1-CZ2 4.07Å; Y396-W402 HydrophobicContact CE1-CH2 4.17Å; Y396-W402 AromaticContact CE1-CZ2 3.57Å; Y396-W402 HydrophobicContact CE1-CZ2 3.57Å
397	F	92.9	Very high	92.4	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-72.7	-26.3	-179.8	-55.3	-68.7	0	0	0	113.7	Y155 P201 T205 L394 W402	Y155-F397 AromaticContact CD1-CD1 3.49Å; Y155-F397 HydrophobicContact CD1-CD1 3.49Å; Y155-F397 VanDerWaalsContact CD1-CD1 3.49Å; Y155-F397 AromaticContact CD1-CE1 3.52Å; Y155-F397 HydrophobicContact CD1-CE1 3.52Å; Y155-F397 HydrophobicContact CD2-CE1 4.46Å; Y155-F397 AromaticContact CE1-CD1 3.65Å; Y155-F397 HydrophobicContact CE1-CD1 3.65Å; Y155-F397 HydrophobicContact CE1-CE1 4.18Å; Y155-F397 AromaticContact CG-CD1 3.97Å; Y155-F397 HydrophobicContact CG-CD1 3.97Å; Y155-F397 AromaticContact CG-CE1 3.68Å; Y155-F397 HydrophobicContact CG-CE1 3.68Å; P201-F397 HydrophobicContact CG-CE1 4.15Å; P201-F397 HydrophobicContact CG-CE2 4.23Å; P201-F397 HydrophobicContact CG-CZ 3.61Å; T205-F397 HydrophobicContact CG2-CE1 4.33Å; T205-F397 HydrophobicContact CG2-CZ 3.91Å; L394-F397 WeakPolarHBondContact O-CA 3.34Å; L394-F397 PolarHBondContact O-N 3.5Å; F397-W402 HydrophobicContact CD1-CH2 4.03Å
398	T	93.8	Very high	92.6	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-88.3	-10.3	179	61.3	0	0	0	0	113.2	M265 R266 A267 S268 W318 L394 E395	M265-T398 HydrophobicContact CE-CG2 3.74Å; R266-T398 PolarHBondContact O-OG1 2.88Å; A267-T398 CarbonylContact C-O 3.58Å; A267-T398 VanDerWaalsContact CA-O 3.25Å; A267-T398 WeakPolarHBondContact CA-O 3.44Å; A267-T398 WeakPolarHBondContact CB-O 3.39Å; S268-T398 PolarHBondContact N-O 3.21Å; W318-T398 HydrophobicContact CD2-CG2 4.41Å; W318-T398 HydrophobicContact CH2-CG2 4.1Å; W318-T398 HydrophobicContact CZ2-CG2 3.79Å; L394-T398 HydrophobicContact CB-CG2 4.31Å; L394-T398 WeakPolarHBondContact O-CG2 3.49Å; L394-T398 PolarHBondContact O-N 3.47Å; L394-T398 PolarHBondContact O-OG1 3.19Å; E395-T398 WeakPolarHBondContact CA-OG1 3.4Å; E395-T398 PolarHBondContact O-N 2.85Å; E395-T398 PolarHBondContact O-OG1 3.36Å
399	S	93.3	Very high	92.7	Very high	27 Å²	27	49.6 Å²	49.6	19%	0.189	26%	0.262	C	S	.	.	H	α-helix	trans	-114.2	-10.1	-174.5	-53.3	0	0	0	0	114.4	E395 Y396	E395-S399 WeakPolarHBondContact O-CB 3.48Å; E395-S399 PolarHBondContact O-N 3.1Å; E395-S399 PolarHBondContact O-OG 3.48Å; Y396-S399 PolarHBondContact O-N 2.49Å
400	H	93.6	Very high	93.1	Very high	91 Å²	91	46.2 Å²	46.2	42%	0.421	26%	0.259	S	S	.	.			trans	-118.6	166.1	179.2	-61.1	85.6	0	0	0	111.2	A271 Y396 W402	A271-H400 WeakPolarHBondContact CB-O 3.4Å; Y396-H400 AromaticContact CD2-CE1 3.9Å; Y396-H400 AromaticContact CD2-ND1 3.97Å; Y396-H400 PolarHBondContact O-N 3.2Å; Y396-H400 PolarHBondContact O-ND1 3.42Å; H400-W402 HydrophobicContact CB-CH2 3.56Å; H400-W402 HydrophobicContact CB-CZ2 3.68Å; H400-W402 HydrophobicContact CB-CZ3 4.16Å; H400-W402 WeakPolarHBondContact O-CZ3 3.48Å
401	S	94	Very high	93.5	Very high	55 Å²	55	46.2 Å²	46.2	39%	0.385	25%	0.252	S	S	.	.			trans	-136.8	156	174.3	-63.6	0	0	0	0	109.3	A271 V272	A271-S401 WeakPolarHBondContact CA-OG 3.43Å; A271-S401 VanDerWaalsContact CB-OG 3.29Å; A271-S401 WeakPolarHBondContact CB-OG 3.39Å; V272-S401 PolarHBondContact N-OG 3Å
402	W	95.4	Very high	93.7	Very high	17 Å²	17	45.7 Å²	45.7	6%	0.064	25%	0.249	C	C	.	.			trans	-134	152.8	-173.8	-66.7	-81.4	0	0	0	109.6	Y155 C158 R160 I163 Y396 F397 H400 W404	Y155-W402 HydrophobicContact CD1-CE3 4.45Å; Y155-W402 HydrophobicContact CD1-CH2 4.47Å; Y155-W402 HydrophobicContact CD1-CZ3 4.38Å; Y155-W402 HydrophobicContact CE1-CD2 4.35Å; Y155-W402 AromaticContact CE1-CE3 3.77Å; Y155-W402 HydrophobicContact CE1-CE3 3.77Å; Y155-W402 HydrophobicContact CE1-CH2 4.16Å; Y155-W402 AromaticContact CE1-CZ3 3.67Å; Y155-W402 HydrophobicContact CE1-CZ3 3.67Å; C158-W402 HydrophobicContact CB-CZ2 3.95Å; C158-W402 PolarHBondContact O-NE1 3.34Å; R160-W402 PolarHBondContact O-NE1 2.84Å; I163-W402 HydrophobicContact CD1-CB 3.95Å; I163-W402 HydrophobicContact CD1-CG 4.03Å; Y396-W402 HydrophobicContact CD1-CH2 4.21Å; Y396-W402 HydrophobicContact CD1-CZ2 4.07Å; Y396-W402 HydrophobicContact CE1-CH2 4.17Å; Y396-W402 AromaticContact CE1-CZ2 3.57Å; Y396-W402 HydrophobicContact CE1-CZ2 3.57Å; F397-W402 HydrophobicContact CD1-CH2 4.03Å; H400-W402 HydrophobicContact CB-CH2 3.56Å; H400-W402 HydrophobicContact CB-CZ2 3.68Å; H400-W402 HydrophobicContact CB-CZ3 4.16Å; H400-W402 WeakPolarHBondContact O-CZ3 3.48Å; W402-W404 HydrophobicContact CB-CD2 4.09Å; W402-W404 VanDerWaalsContact CB-CE2 3.45Å; W402-W404 HydrophobicContact CB-CE3 4.49Å; W402-W404 HydrophobicContact CB-CH2 3.7Å; W402-W404 HydrophobicContact CB-CZ2 3.26Å; W402-W404 HydrophobicContact CB-CZ3 4.29Å; W402-W404 HydrophobicContact CD2-CH2 4.13Å; W402-W404 AromaticContact CD2-CZ2 3.86Å; W402-W404 HydrophobicContact CD2-CZ2 3.86Å; W402-W404 HydrophobicContact CE3-CZ2 4.02Å; W402-W404 AromaticContact CG-CH2 3.69Å; W402-W404 HydrophobicContact CG-CH2 3.69Å; W402-W404 AromaticContact CG-CZ2 3.56Å; W402-W404 HydrophobicContact CG-CZ2 3.56Å
403	V	95.5	Very high	94.1	Very high	92 Å²	92	40.4 Å²	40.4	56%	0.558	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	110.2	170.6	-178.8	0	0	0	0	107.7	E161 V162 I163	E161-V403 PolarHBondContact O-N 2.98Å; V162-V403 WeakPolarHBondContact CA-O 3.43Å; V162-V403 HydrophobicContact CG2-CB 4.26Å; I163-V403 PolarHBondContact N-O 3.38Å
404	W	95.3	Very high	94.6	Very high	8 Å²	8	43 Å²	43	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.3	178.1	-45.8	106	0	0	0	109.4	A154 Y155 I163 D274 T309 W402 T406	A154-W404 HydrophobicContact CB-CD2 4.45Å; A154-W404 HydrophobicContact CB-CE3 4.07Å; A154-W404 HydrophobicContact CB-CH2 4Å; A154-W404 HydrophobicContact CB-CZ2 4.31Å; A154-W404 HydrophobicContact CB-CZ3 3.86Å; A154-W404 WeakPolarHBondContact O-CH2 3.37Å; A154-W404 WeakPolarHBondContact O-CZ3 3.49Å; Y155-W404 HydrophobicContact CD1-CH2 4.05Å; Y155-W404 HydrophobicContact CD1-CZ2 4.24Å; Y155-W404 HydrophobicContact CE1-CH2 4.21Å; Y155-W404 AromaticContact CE1-CZ2 3.93Å; Y155-W404 HydrophobicContact CE1-CZ2 3.93Å; I163-W404 HydrophobicContact CB-CE3 3.6Å; I163-W404 HydrophobicContact CB-CZ3 3.67Å; I163-W404 HydrophobicContact CD1-CE3 3.83Å; I163-W404 HydrophobicContact CD1-CH2 3.94Å; I163-W404 HydrophobicContact CD1-CZ3 3.39Å; I163-W404 HydrophobicContact CG1-CE3 3.98Å; I163-W404 HydrophobicContact CG1-CH2 4.43Å; I163-W404 HydrophobicContact CG1-CZ3 3.53Å; I163-W404 HydrophobicContact CG2-CE3 4.02Å; I163-W404 HydrophobicContact CG2-CZ3 3.98Å; D274-W404 PolarHBondContact OD2-NE1 2.56Å; T309-W404 HydrophobicContact CG2-CB 4.05Å; T309-W404 HydrophobicContact CG2-CD2 3.87Å; T309-W404 HydrophobicContact CG2-CE3 4.45Å; T309-W404 HydrophobicContact CG2-CG 3.64Å; T309-W404 WeakPolarHBondContact OG1-CB 3.28Å; W402-W404 HydrophobicContact CB-CD2 4.09Å; W402-W404 VanDerWaalsContact CB-CE2 3.45Å; W402-W404 HydrophobicContact CB-CE3 4.49Å; W402-W404 HydrophobicContact CB-CH2 3.7Å; W402-W404 HydrophobicContact CB-CZ2 3.26Å; W402-W404 HydrophobicContact CB-CZ3 4.29Å; W402-W404 HydrophobicContact CD2-CH2 4.13Å; W402-W404 AromaticContact CD2-CZ2 3.86Å; W402-W404 HydrophobicContact CD2-CZ2 3.86Å; W402-W404 HydrophobicContact CE3-CZ2 4.02Å; W402-W404 AromaticContact CG-CH2 3.69Å; W402-W404 HydrophobicContact CG-CH2 3.69Å; W402-W404 AromaticContact CG-CZ2 3.56Å; W402-W404 HydrophobicContact CG-CZ2 3.56Å; W404-T406 HydrophobicContact CB-CG2 4.43Å
405	N	95.9	Very high	94.9	Very high	51 Å²	51	45.8 Å²	45.8	27%	0.273	26%	0.255	S	S	.	.			trans	-70.3	138.9	162.6	-166.4	-4.6	0	0	0	108.8	I163 E165 N307 D407	I163-N405 PolarHBondContact O-N 2.91Å; E165-N405 WeakPolarHBondContact CG-O 3.39Å; N307-N405 VanDerWaalsContact CB-O 3.22Å; N307-N405 WeakPolarHBondContact CB-O 3.39Å; N307-N405 PolarHBondContact ND2-O 3.41Å; N405-D407 PolarHBondContact ND2-OD2 3.32Å; N405-D407 PolarHBondContact OD1-N 2.95Å; N405-D407 VanDerWaalsContact OD1-N 3.11Å; N405-D407 PolarHBondContact OD1-OD1 2.97Å; N405-D407 PolarHBondContact OD1-OD2 3.44Å
406	T	96.3	Very high	95.1	Very high	21 Å²	21	42.3 Å²	42.3	13%	0.129	24%	0.239	C	C	.	.			trans	-134.2	23.3	-178.8	61.6	0	0	0	0	112.4	N307 I313 W404 N408 V409 A410	N307-T406 HydrophobicContact CB-CG2 4.4Å; N307-T406 WeakPolarHBondContact O-CG2 3.43Å; I313-T406 HydrophobicContact CD1-CG2 4.23Å; W404-T406 HydrophobicContact CB-CG2 4.43Å; T406-N408 VanDerWaalsContact C-N 3.35Å; T406-N408 PolarHBondContact O-N 2.66Å; T406-V409 PolarHBondContact O-N 3.33Å; T406-V409 VanDerWaalsContact O-N 3.14Å; T406-A410 PolarHBondContact O-N 3.44Å
407	D	95.9	Very high	95.4	Very high	105 Å²	105	41.4 Å²	41.4	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-56.5	-43.6	-177.6	-70.6	-28.9	0	0	0	112.7	E165 N405 V409 A410 M411	E165-D407 PolarHBondContact OE2-N 3.38Å; E165-D407 VanDerWaalsContact OE2-N 3.08Å; N405-D407 PolarHBondContact ND2-OD2 3.32Å; N405-D407 PolarHBondContact OD1-N 2.95Å; N405-D407 VanDerWaalsContact OD1-N 3.11Å; N405-D407 PolarHBondContact OD1-OD1 2.97Å; N405-D407 PolarHBondContact OD1-OD2 3.44Å; D407-V409 PolarHBondContact O-N 3.44Å; D407-A410 PolarHBondContact O-N 2.96Å; D407-M411 VanDerWaalsContact O-CB 3.27Å; D407-M411 WeakPolarHBondContact O-CB 3.5Å; D407-M411 PolarHBondContact O-N 3.39Å
408	N	96.4	Very high	95.6	Very high	36 Å²	36	45.5 Å²	45.5	19%	0.193	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-34.6	176.9	-67.3	-29.6	0	0	0	111.7	E165 V305 Y306 T406 L412	E165-N408 WeakPolarHBondContact CB-ND2 3.43Å; E165-N408 WeakPolarHBondContact OE2-CA 3.47Å; E165-N408 WeakPolarHBondContact OE2-CB 3.46Å; E165-N408 PolarHBondContact OE2-N 3.28Å; V305-N408 WeakPolarHBondContact O-CB 3.36Å; V305-N408 PolarHBondContact O-ND2 3.44Å; Y306-N408 HydrophobicContact CD1-CB 3.72Å; Y306-N408 HydrophobicContact CE1-CB 3.81Å; Y306-N408 WeakPolarHBondContact CE1-O 3.26Å; T406-N408 VanDerWaalsContact C-N 3.35Å; T406-N408 PolarHBondContact O-N 2.66Å; N408-L412 VanDerWaalsContact O-CB 3.3Å; N408-L412 WeakPolarHBondContact O-CB 3.4Å; N408-L412 PolarHBondContact O-N 2.94Å
409	V	96.4	Very high	95.7	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-42.9	173.7	177.7	0	0	0	0	110.8	Y306 T406 D407 L412 L413 F426	Y306-V409 HydrophobicContact CD1-CG2 4.27Å; T406-V409 PolarHBondContact O-N 3.33Å; T406-V409 VanDerWaalsContact O-N 3.14Å; D407-V409 PolarHBondContact O-N 3.44Å; V409-L412 WeakPolarHBondContact O-CB 3.37Å; V409-L412 PolarHBondContact O-N 3.25Å; V409-L413 PolarHBondContact O-N 3.04Å; V409-L413 VanDerWaalsContact O-N 3.07Å; V409-F426 HydrophobicContact CG1-CD2 4.1Å; V409-F426 HydrophobicContact CG1-CE2 4.06Å
410	A	96.4	Very high	96	Very high	60 Å²	60	50.4 Å²	50.4	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-42.4	176	0	0	0	0	0	111.8	T406 D407 L413 S414	T406-A410 PolarHBondContact O-N 3.44Å; D407-A410 PolarHBondContact O-N 2.96Å; A410-L413 PolarHBondContact O-N 2.94Å; A410-S414 PolarHBondContact O-N 3.3Å
411	M	95.4	Very high	96.1	Very high	46 Å²	46	49.8 Å²	49.8	23%	0.227	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-42.8	173.6	177.8	-77.2	-65.5	0	0	111.5	F291 Y306 D407 L413 S414 H415	F291-M411 HydrophobicContact CD1-CE 4.41Å; F291-M411 HydrophobicContact CD2-SD 4.5Å; F291-M411 HydrophobicContact CE1-CE 3.66Å; F291-M411 HydrophobicContact CE1-SD 3.91Å; F291-M411 HydrophobicContact CE2-CE 4.43Å; F291-M411 HydrophobicContact CE2-SD 3.61Å; F291-M411 HydrophobicContact CZ-CE 3.67Å; F291-M411 HydrophobicContact CZ-SD 3.25Å; F291-M411 WeakPolarHBondContact CZ-SD 3.46Å; Y306-M411 HydrophobicContact CE1-CE 4.46Å; D407-M411 VanDerWaalsContact O-CB 3.27Å; D407-M411 WeakPolarHBondContact O-CB 3.5Å; D407-M411 PolarHBondContact O-N 3.39Å; M411-L413 VanDerWaalsContact C-N 3.33Å; M411-L413 PolarHBondContact O-N 2.96Å; M411-S414 PolarHBondContact O-N 2.78Å; M411-S414 PolarHBondContact O-OG 3.17Å; M411-H415 PolarHBondContact O-N 3.04Å; M411-H415 PolarHBondContact O-ND1 2.81Å; M411-H415 VanDerWaalsContact SD-CE1 3.52Å; M411-H415 PolarHBondContact SD-ND1 3.34Å; M411-H415 VanDerWaalsContact SD-ND1 3.4Å
412	L	95.1	Very high	96.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-46.4	177.6	-174.7	62.9	0	0	0	110.9	A287 A288 F291 Y306 N408 V409 S414 H415 F426	A287-L412 HydrophobicContact CB-CD1 4.25Å; A287-L412 HydrophobicContact CB-CD2 3.77Å; A287-L412 HydrophobicContact CB-CG 4Å; A288-L412 HydrophobicContact CB-CD2 4.15Å; F291-L412 HydrophobicContact CB-CD1 3.35Å; F291-L412 HydrophobicContact CD1-CD1 4.41Å; F291-L412 HydrophobicContact CD2-CD1 4.1Å; F291-L412 HydrophobicContact CG-CD1 3.72Å; Y306-L412 HydrophobicContact CD1-CD2 4.29Å; Y306-L412 HydrophobicContact CE1-CB 4.08Å; Y306-L412 HydrophobicContact CE1-CD2 4.05Å; Y306-L412 HydrophobicContact CE1-CG 4.47Å; N408-L412 VanDerWaalsContact O-CB 3.3Å; N408-L412 WeakPolarHBondContact O-CB 3.4Å; N408-L412 PolarHBondContact O-N 2.94Å; V409-L412 WeakPolarHBondContact O-CB 3.37Å; V409-L412 PolarHBondContact O-N 3.25Å; L412-S414 VanDerWaalsContact C-N 3.31Å; L412-S414 PolarHBondContact O-N 3.15Å; L412-H415 PolarHBondContact O-N 3.23Å; L412-F426 HydrophobicContact CB-CZ 4.34Å; L412-F426 HydrophobicContact CD2-CE2 4.45Å; L412-F426 HydrophobicContact CD2-CZ 3.92Å; L412-F426 HydrophobicContact CG-CZ 3.92Å
413	L	96	Very high	96.3	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-37.7	176.7	-169.2	67.3	0	0	0	111.8	V409 A410 M411 H415 M416 K421 F426 D427	V409-L413 PolarHBondContact O-N 3.04Å; V409-L413 VanDerWaalsContact O-N 3.07Å; A410-L413 PolarHBondContact O-N 2.94Å; M411-L413 VanDerWaalsContact C-N 3.33Å; M411-L413 PolarHBondContact O-N 2.96Å; L413-H415 VanDerWaalsContact C-N 3.26Å; L413-H415 PolarHBondContact O-N 2.92Å; L413-M416 HydrophobicContact CD1-SD 4.12Å; L413-M416 PolarHBondContact O-N 3.34Å; L413-K421 HydrophobicContact CD1-CG 4.12Å; L413-K421 WeakPolarHBondContact O-CE 3.47Å; L413-K421 PolarHBondContact O-NZ 3.08Å; L413-F426 HydrophobicContact CB-CE2 3.84Å; L413-F426 HydrophobicContact CB-CZ 4.13Å; L413-F426 HydrophobicContact CD1-CD2 4.41Å; L413-F426 HydrophobicContact CD1-CE1 4.48Å; L413-F426 HydrophobicContact CD1-CE2 3.95Å; L413-F426 HydrophobicContact CD1-CZ 3.97Å; L413-F426 HydrophobicContact CG-CE2 4.44Å; L413-D427 HydrophobicContact CD2-CB 3.95Å
414	S	96.3	Very high	96.4	Very high	79 Å²	79	53.3 Å²	53.3	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-65.6	-29.4	-178.4	71.8	0	0	0	0	113.2	A410 M411 L412	A410-S414 PolarHBondContact O-N 3.3Å; M411-S414 PolarHBondContact O-N 2.78Å; M411-S414 PolarHBondContact O-OG 3.17Å; L412-S414 VanDerWaalsContact C-N 3.31Å; L412-S414 PolarHBondContact O-N 3.15Å
415	H	95.3	Very high	96.5	Very high	87 Å²	87	53.9 Å²	53.9	40%	0.403	29%	0.293	S	S	.	.	H	α-helix	trans	-81.5	-15.9	-179.2	-73.8	89.6	0	0	0	114.5	M1 W290 F291 M411 L412 L413	M1-H415 HydrophobicContact CE-CB 3.76Å; W290-H415 HydrophobicContact CH2-CB 4.14Å; W290-H415 HydrophobicContact CZ3-CB 4.31Å; F291-H415 HydrophobicContact CD2-CB 4.21Å; F291-H415 HydrophobicContact CE2-CB 4.11Å; F291-H415 AromaticContact CE2-CD2 3.95Å; F291-H415 AromaticContact CE2-CE1 3.96Å; F291-H415 AromaticContact CE2-CG 3.65Å; F291-H415 AromaticContact CE2-ND1 3.68Å; M411-H415 PolarHBondContact O-N 3.04Å; M411-H415 PolarHBondContact O-ND1 2.81Å; M411-H415 VanDerWaalsContact SD-CE1 3.52Å; M411-H415 PolarHBondContact SD-ND1 3.34Å; M411-H415 VanDerWaalsContact SD-ND1 3.4Å; L412-H415 PolarHBondContact O-N 3.23Å; L413-H415 VanDerWaalsContact C-N 3.26Å; L413-H415 PolarHBondContact O-N 2.92Å
416	M	96.9	Very high	96.6	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.03	28%	0.282	C	S	.	.	S	Bend	trans	-73.9	142.9	-179	-68.1	168.2	69.4	0	0	112	I4 A287 W290 L413 D420 K421 F424 F426	I4-M416 HydrophobicContact CD1-CE 3.81Å; I4-M416 HydrophobicContact CD1-CG 4.43Å; A287-M416 HydrophobicContact CB-SD 4.18Å; W290-M416 HydrophobicContact CH2-CG 4.48Å; W290-M416 HydrophobicContact CZ3-CG 4.01Å; L413-M416 HydrophobicContact CD1-SD 4.12Å; L413-M416 PolarHBondContact O-N 3.34Å; M416-D420 HydrophobicContact CB-CB 4.09Å; M416-D420 VanDerWaalsContact CE-C 3.45Å; M416-D420 HydrophobicContact CE-CB 3.84Å; M416-D420 VanDerWaalsContact CE-O 3.25Å; M416-D420 WeakPolarHBondContact CE-O 3.35Å; M416-D420 HydrophobicContact CG-CB 4.49Å; M416-K421 HydrophobicContact CB-CG 3.78Å; M416-K421 HydrophobicContact CE-CG 4.47Å; M416-K421 VanDerWaalsContact O-CE 3.23Å; M416-K421 WeakPolarHBondContact O-CE 3.49Å; M416-K421 PolarHBondContact O-NZ 3.43Å; M416-F424 HydrophobicContact CE-CB 3.86Å; M416-F426 HydrophobicContact CE-CE1 3.92Å; M416-F426 HydrophobicContact SD-CD1 4.48Å; M416-F426 HydrophobicContact SD-CE1 3.32Å; M416-F426 WeakPolarHBondContact SD-CE1 3.28Å; M416-F426 HydrophobicContact SD-CZ 3.45Å; M416-F426 WeakPolarHBondContact SD-CZ 3.36Å
417	S	97.1	Very high	96.7	Very high	34 Å²	34	52 Å²	52	24%	0.238	28%	0.282	C	S	.	.			trans	-61.5	158.1	169.4	67.6	0	0	0	0	111.2	E419 D420 K421	S417-E419 PolarHBondContact O-N 2.96Å; S417-D420 PolarHBondContact O-N 2.8Å; S417-D420 VanDerWaalsContact OG-CB 3.29Å; S417-D420 WeakPolarHBondContact OG-CB 3.46Å; S417-D420 PolarHBondContact OG-N 2.8Å; S417-D420 PolarHBondContact OG-OD2 3.31Å; S417-K421 WeakPolarHBondContact O-CG 3.39Å; S417-K421 PolarHBondContact O-N 2.65Å
418	P	97.1	Very high	96.7	Very high	95 Å²	95	47.2 Å²	47.2	62%	0.617	26%	0.257	S	S	*	.	H	α-helix	trans	-54.6	-38.2	173.1	-25.8	35.7	0	0	0	113.1	K421 K422	P418-K421 PolarHBondContact O-N 2.82Å; P418-K422 PolarHBondContact O-N 3.26Å
419	E	96.9	Very high	96.7	Very high	129 Å²	129	53 Å²	53	60%	0.603	28%	0.276	S	S	*	.	H	α-helix	trans	-66.6	-47.5	177.7	-66.4	67.2	-146.7	0	0	110.9	S417 K421 K422 V423	S417-E419 PolarHBondContact O-N 2.96Å; E419-K421 VanDerWaalsContact C-N 3.32Å; E419-K421 PolarHBondContact O-N 3.45Å; E419-K422 WeakPolarHBondContact O-CB 3.36Å; E419-K422 PolarHBondContact O-N 2.86Å; E419-K422 VanDerWaalsContact O-N 3.09Å; E419-V423 WeakPolarHBondContact O-CG2 3.49Å; E419-V423 PolarHBondContact O-N 3.23Å
420	D	97.9	Very high	96.7	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-39.4	176.5	-71.1	-41.8	0	0	0	111.4	N3 I4 P5 M416 S417 K422 V423 F424	N3-D420 WeakPolarHBondContact CA-OD2 3.29Å; N3-D420 WeakPolarHBondContact CB-OD2 3.38Å; I4-D420 WeakPolarHBondContact CB-OD1 3.38Å; I4-D420 HydrophobicContact CD1-CB 4.06Å; I4-D420 HydrophobicContact CG1-CB 4.26Å; I4-D420 PolarHBondContact N-OD1 3.14Å; I4-D420 PolarHBondContact N-OD2 2.92Å; P5-D420 WeakPolarHBondContact CD-OD1 3.44Å; M416-D420 HydrophobicContact CB-CB 4.09Å; M416-D420 VanDerWaalsContact CE-C 3.45Å; M416-D420 HydrophobicContact CE-CB 3.84Å; M416-D420 VanDerWaalsContact CE-O 3.25Å; M416-D420 WeakPolarHBondContact CE-O 3.35Å; M416-D420 HydrophobicContact CG-CB 4.49Å; S417-D420 PolarHBondContact O-N 2.8Å; S417-D420 VanDerWaalsContact OG-CB 3.29Å; S417-D420 WeakPolarHBondContact OG-CB 3.46Å; S417-D420 PolarHBondContact OG-N 2.8Å; S417-D420 PolarHBondContact OG-OD2 3.31Å; D420-K422 PolarHBondContact O-N 3.46Å; D420-V423 PolarHBondContact O-N 2.98Å; D420-F424 WeakPolarHBondContact O-CA 3.46Å; D420-F424 PolarHBondContact O-N 2.95Å
421	K	97.3	Very high	96.7	Very high	78 Å²	78	54.7 Å²	54.7	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-30.4	175.8	-76.2	170.3	177	158.5	0	112.4	L413 M416 S417 P418 E419 N425	L413-K421 HydrophobicContact CD1-CG 4.12Å; L413-K421 WeakPolarHBondContact O-CE 3.47Å; L413-K421 PolarHBondContact O-NZ 3.08Å; M416-K421 HydrophobicContact CB-CG 3.78Å; M416-K421 HydrophobicContact CE-CG 4.47Å; M416-K421 VanDerWaalsContact O-CE 3.23Å; M416-K421 WeakPolarHBondContact O-CE 3.49Å; M416-K421 PolarHBondContact O-NZ 3.43Å; S417-K421 WeakPolarHBondContact O-CG 3.39Å; S417-K421 PolarHBondContact O-N 2.65Å; P418-K421 PolarHBondContact O-N 2.82Å; E419-K421 VanDerWaalsContact C-N 3.32Å; E419-K421 PolarHBondContact O-N 3.45Å; K421-N425 WeakPolarHBondContact O-CA 3.41Å; K421-N425 VanDerWaalsContact O-CB 3.23Å; K421-N425 WeakPolarHBondContact O-CB 3.22Å
422	K	96.3	Very high	96.8	Very high	181 Å²	181	58 Å²	58	79%	0.787	29%	0.287	S	S	*	.	H	α-helix	trans	-76.7	-45.5	175.9	-173.7	-179.4	177.9	-177	0	111.3	P418 E419 D420	P418-K422 PolarHBondContact O-N 3.26Å; E419-K422 WeakPolarHBondContact O-CB 3.36Å; E419-K422 PolarHBondContact O-N 2.86Å; E419-K422 VanDerWaalsContact O-N 3.09Å; D420-K422 PolarHBondContact O-N 3.46Å
423	V	97	Very high	97	Very high	57 Å²	57	59 Å²	59	35%	0.345	29%	0.291	S	S	.	.	H	α-helix	trans	-77.4	-44.9	-175.3	178.5	0	0	0	0	111.9	K29 E419 D420	K29-V423 WeakPolarHBondContact CE-O 3.27Å; K29-V423 PolarHBondContact NZ-O 3.06Å; E419-V423 WeakPolarHBondContact O-CG2 3.49Å; E419-V423 PolarHBondContact O-N 3.23Å; D420-V423 PolarHBondContact O-N 2.98Å
424	F	98	Very high	97	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	49.2	-178.3	-56.8	-85.9	0	0	0	110.4	I4 P5 N283 L286 M416 D420 F426	I4-F424 HydrophobicContact CB-CD2 3.96Å; I4-F424 HydrophobicContact CB-CE2 3.71Å; I4-F424 HydrophobicContact CB-CZ 4.28Å; I4-F424 HydrophobicContact CD1-CB 4.09Å; I4-F424 HydrophobicContact CD1-CD2 3.73Å; I4-F424 HydrophobicContact CD1-CE2 4.37Å; I4-F424 HydrophobicContact CD1-CG 3.95Å; I4-F424 HydrophobicContact CG1-CD2 4.39Å; I4-F424 HydrophobicContact CG2-CD1 4.42Å; I4-F424 HydrophobicContact CG2-CD2 3.97Å; I4-F424 HydrophobicContact CG2-CE1 4.07Å; I4-F424 HydrophobicContact CG2-CE2 3.58Å; I4-F424 HydrophobicContact CG2-CG 4.37Å; I4-F424 HydrophobicContact CG2-CZ 3.64Å; P5-F424 HydrophobicContact CG-CE2 4.08Å; P5-F424 HydrophobicContact CG-CZ 4.45Å; N283-F424 HydrophobicContact CB-CB 4.24Å; L286-F424 HydrophobicContact CB-CD1 4.34Å; L286-F424 HydrophobicContact CB-CE1 4.49Å; L286-F424 HydrophobicContact CD1-CD1 4.09Å; L286-F424 HydrophobicContact CD1-CE1 3.84Å; M416-F424 HydrophobicContact CE-CB 3.86Å; D420-F424 WeakPolarHBondContact O-CA 3.46Å; D420-F424 PolarHBondContact O-N 2.95Å; F424-F426 WeakPolarHBondContact O-CD1 3.41Å; F424-F426 PolarHBondContact O-N 2.97Å
425	N	97.4	Very high	97	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.102	30%	0.304	C	S	.	.			trans	-67.6	123.8	-177.7	-171.5	-1.8	0	0	0	111.7	K237 N283 K421 D427 Q430	K237-N425 PolarHBondContact NZ-ND2 3.5Å; K237-N425 VanDerWaalsContact NZ-ND2 3.14Å; N283-N425 PolarHBondContact ND2-N 3.09Å; N283-N425 PolarHBondContact ND2-O 3.05Å; K421-N425 WeakPolarHBondContact O-CA 3.41Å; K421-N425 VanDerWaalsContact O-CB 3.23Å; K421-N425 WeakPolarHBondContact O-CB 3.22Å; N425-D427 WeakPolarHBondContact OD1-CB 3.46Å; N425-D427 PolarHBondContact OD1-N 3.28Å; N425-Q430 PolarHBondContact ND2-OE1 2.92Å
426	F	97.5	Very high	97.1	Very high	9 Å²	9	57.9 Å²	57.9	4%	0.039	29%	0.285	C	S	.	.			trans	-130.7	21.3	169.4	54	-96.5	0	0	0	112.4	V280 N283 A284 A287 V409 L412 L413 M416 F424 V428	V280-F426 HydrophobicContact CG1-CB 3.85Å; V280-F426 WeakPolarHBondContact O-CB 3.17Å; N283-F426 HydrophobicContact CB-CB 4.25Å; N283-F426 HydrophobicContact CB-CD1 4.09Å; A284-F426 HydrophobicContact CB-CB 4.06Å; A284-F426 HydrophobicContact CB-CD1 4.05Å; A284-F426 HydrophobicContact CB-CD2 4.16Å; A284-F426 HydrophobicContact CB-CG 3.83Å; A287-F426 HydrophobicContact CB-CE1 3.61Å; A287-F426 HydrophobicContact CB-CZ 4.17Å; V409-F426 HydrophobicContact CG1-CD2 4.1Å; V409-F426 HydrophobicContact CG1-CE2 4.06Å; L412-F426 HydrophobicContact CB-CZ 4.34Å; L412-F426 HydrophobicContact CD2-CE2 4.45Å; L412-F426 HydrophobicContact CD2-CZ 3.92Å; L412-F426 HydrophobicContact CG-CZ 3.92Å; L413-F426 HydrophobicContact CB-CE2 3.84Å; L413-F426 HydrophobicContact CB-CZ 4.13Å; L413-F426 HydrophobicContact CD1-CD2 4.41Å; L413-F426 HydrophobicContact CD1-CE1 4.48Å; L413-F426 HydrophobicContact CD1-CE2 3.95Å; L413-F426 HydrophobicContact CD1-CZ 3.97Å; L413-F426 HydrophobicContact CG-CE2 4.44Å; M416-F426 HydrophobicContact CE-CE1 3.92Å; M416-F426 HydrophobicContact SD-CD1 4.48Å; M416-F426 HydrophobicContact SD-CE1 3.32Å; M416-F426 WeakPolarHBondContact SD-CE1 3.28Å; M416-F426 HydrophobicContact SD-CZ 3.45Å; M416-F426 WeakPolarHBondContact SD-CZ 3.36Å; F424-F426 WeakPolarHBondContact O-CD1 3.41Å; F424-F426 PolarHBondContact O-N 2.97Å; F426-V428 PolarHBondContact O-N 3.48Å
427	D	97.2	Very high	97.2	Very high	23 Å²	23	57.6 Å²	57.6	12%	0.123	28%	0.284	C	S	.	.			trans	-80.5	95.2	175.4	-173.4	-3.1	0	0	0	111.3	L413 N425 R429 Q430	L413-D427 HydrophobicContact CD2-CB 3.95Å; N425-D427 WeakPolarHBondContact OD1-CB 3.46Å; N425-D427 PolarHBondContact OD1-N 3.28Å; D427-R429 VanDerWaalsContact CG-NH2 3.26Å; D427-R429 PolarHBondContact O-N 2.82Å; D427-R429 WeakPolarHBondContact OD1-CB 3.11Å; D427-R429 IonicContact OD1-CZ 3.44Å; D427-R429 PolarHBondContact OD1-N 3.28Å; D427-R429 IonicContact OD1-NE 2.76Å; D427-R429 PolarHBondContact OD1-NE 2.76Å; D427-R429 IonicContact OD1-NH2 3.28Å; D427-R429 PolarHBondContact OD1-NH2 2.78Å; D427-R429 IonicContact OD2-CZ 3.51Å; D427-R429 IonicContact OD2-NE 3.4Å; D427-R429 PolarHBondContact OD2-NE 2.8Å; D427-R429 IonicContact OD2-NH2 2.78Å; D427-R429 PolarHBondContact OD2-NH2 3.38Å; D427-Q430 PolarHBondContact O-N 2.93Å; D427-Q430 PolarHBondContact OD2-NE2 3.18Å
428	V	96.6	Very high	97.2	Very high	6 Å²	6	60 Å²	60	4%	0.036	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-71.4	-9.2	-175.8	-60.4	0	0	0	0	114.1	V280 T310 I313 N314 F426 Q430 L431	V280-V428 HydrophobicContact CG1-CG1 3.61Å; V280-V428 HydrophobicContact CG2-CG1 4.34Å; T310-V428 HydrophobicContact CG2-CB 3.97Å; T310-V428 HydrophobicContact CG2-CG1 3.84Å; T310-V428 HydrophobicContact CG2-CG2 4.17Å; I313-V428 HydrophobicContact CB-CG2 4.01Å; I313-V428 HydrophobicContact CD1-CG2 4.19Å; I313-V428 HydrophobicContact CG2-CG2 3.86Å; N314-V428 PolarHBondContact ND2-O 3.48Å; F426-V428 PolarHBondContact O-N 3.48Å; V428-Q430 PolarHBondContact O-N 3.26Å; V428-L431 VanDerWaalsContact O-CB 3.23Å; V428-L431 WeakPolarHBondContact O-CB 3.23Å; V428-L431 PolarHBondContact O-N 3.29Å; V428-L431 VanDerWaalsContact O-N 3.11Å
429	R	96.4	Very high	97.2	Very high	158 Å²	158	57.8 Å²	57.8	60%	0.596	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-63.6	-23.7	172.8	-64.9	169.8	-68.3	-162.3	2.3	112.3	I313 D427 L431	I313-R429 HydrophobicContact CG2-CG 3.27Å; D427-R429 VanDerWaalsContact CG-NH2 3.26Å; D427-R429 PolarHBondContact O-N 2.82Å; D427-R429 WeakPolarHBondContact OD1-CB 3.11Å; D427-R429 IonicContact OD1-CZ 3.44Å; D427-R429 PolarHBondContact OD1-N 3.28Å; D427-R429 IonicContact OD1-NE 2.76Å; D427-R429 PolarHBondContact OD1-NE 2.76Å; D427-R429 IonicContact OD1-NH2 3.28Å; D427-R429 PolarHBondContact OD1-NH2 2.78Å; D427-R429 IonicContact OD2-CZ 3.51Å; D427-R429 IonicContact OD2-NE 3.4Å; D427-R429 PolarHBondContact OD2-NE 2.8Å; D427-R429 IonicContact OD2-NH2 2.78Å; D427-R429 PolarHBondContact OD2-NH2 3.38Å; R429-L431 VanDerWaalsContact C-N 3.32Å
430	Q	96.4	Very high	97.2	Very high	106 Å²	106	51.7 Å²	51.7	50%	0.495	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-85	-6.2	179.1	-64.5	169	25.1	0	0	112.8	W236 N425 D427 V428	W236-Q430 HydrophobicContact CH2-CB 3.7Å; W236-Q430 HydrophobicContact CZ2-CB 4.36Å; W236-Q430 WeakPolarHBondContact CZ2-O 3.49Å; N425-Q430 PolarHBondContact ND2-OE1 2.92Å; D427-Q430 PolarHBondContact O-N 2.93Å; D427-Q430 PolarHBondContact OD2-NE2 3.18Å; V428-Q430 PolarHBondContact O-N 3.26Å
431	L	97.1	Very high	97.2	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.037	25%	0.245	C	C	.	.			trans	-78.3	122.7	-176.9	-179.6	68.1	0	0	0	111.1	W236 P277 N314 V428 R429 W433 Y436	W236-L431 HydrophobicContact CB-CD1 4.19Å; W236-L431 VanDerWaalsContact CD1-CD1 3.44Å; W236-L431 HydrophobicContact CD2-CD1 3.44Å; W236-L431 VanDerWaalsContact CD2-CD1 3.44Å; W236-L431 VanDerWaalsContact CE2-CD1 3.44Å; W236-L431 HydrophobicContact CE3-CD1 4.14Å; W236-L431 HydrophobicContact CG-CD1 3.44Å; W236-L431 VanDerWaalsContact CG-CD1 3.44Å; W236-L431 HydrophobicContact CH2-CB 4.34Å; W236-L431 HydrophobicContact CZ2-CB 4.24Å; W236-L431 HydrophobicContact CZ2-CD1 4.13Å; P277-L431 HydrophobicContact CG-CD1 4.43Å; P277-L431 HydrophobicContact CG-CD2 4.14Å; N314-L431 PolarHBondContact ND2-O 3.23Å; V428-L431 VanDerWaalsContact O-CB 3.23Å; V428-L431 WeakPolarHBondContact O-CB 3.23Å; V428-L431 PolarHBondContact O-N 3.29Å; V428-L431 VanDerWaalsContact O-N 3.11Å; R429-L431 VanDerWaalsContact C-N 3.32Å; L431-W433 HydrophobicContact CD2-CD2 4.24Å; L431-W433 HydrophobicContact CD2-CE3 4.01Å; L431-W433 HydrophobicContact CD2-CH2 3.58Å; L431-W433 HydrophobicContact CD2-CZ2 3.83Å; L431-W433 HydrophobicContact CD2-CZ3 3.67Å; L431-Y436 HydrophobicContact CD1-CD2 4.03Å; L431-Y436 HydrophobicContact CD1-CG 3.98Å
432	H	97.8	Very high	97.1	Very high	115 Å²	115	49.3 Å²	49.3	53%	0.532	24%	0.236	S	C	.	.			trans	-95.1	108.5	172.8	-173.7	-103.2	0	0	0	110.8	A434 E435 Y436	H432-A434 PolarHBondContact O-N 2.89Å; H432-E435 HydrophobicContact CB-CB 4.45Å; H432-E435 PolarHBondContact ND1-N 2.9Å; H432-E435 PolarHBondContact O-N 2.96Å; H432-Y436 WeakPolarHBondContact O-CB 3.43Å; H432-Y436 PolarHBondContact O-N 3.42Å
433	W	97.7	Very high	97.1	Very high	23 Å²	23	40.9 Å²	40.9	9%	0.087	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-42.2	-169.5	-74	117	0	0	0	114.9	L275 T310 N314 F316 L431 E435 Y436 M437	L275-W433 HydrophobicContact CB-CH2 4.36Å; L275-W433 HydrophobicContact CB-CZ3 4.21Å; L275-W433 WeakPolarHBondContact O-CH2 3.38Å; T310-W433 HydrophobicContact CG2-CH2 4.12Å; T310-W433 HydrophobicContact CG2-CZ2 4.26Å; N314-W433 VanDerWaalsContact CG-NE1 3.35Å; N314-W433 PolarHBondContact ND2-NE1 2.7Å; N314-W433 VanDerWaalsContact O-CZ2 3.31Å; N314-W433 WeakPolarHBondContact O-CZ2 3.49Å; N314-W433 PolarHBondContact O-NE1 3.48Å; N314-W433 PolarHBondContact OD1-NE1 3.39Å; N314-W433 VanDerWaalsContact OD1-NE1 3.14Å; F316-W433 HydrophobicContact CB-CD2 3.67Å; F316-W433 VanDerWaalsContact CB-CE2 3.48Å; F316-W433 HydrophobicContact CB-CE3 4.15Å; F316-W433 HydrophobicContact CB-CG 4.03Å; F316-W433 HydrophobicContact CB-CH2 4.27Å; F316-W433 HydrophobicContact CB-CZ2 3.8Å; F316-W433 HydrophobicContact CB-CZ3 4.44Å; F316-W433 AromaticContact CD1-CD2 3.9Å; F316-W433 HydrophobicContact CD1-CD2 3.9Å; F316-W433 AromaticContact CD1-CE3 3.62Å; F316-W433 HydrophobicContact CD1-CE3 3.62Å; F316-W433 HydrophobicContact CD1-CG 4.4Å; F316-W433 AromaticContact CD1-CZ3 3.99Å; F316-W433 HydrophobicContact CD1-CZ3 3.99Å; F316-W433 HydrophobicContact CD2-CB 3.76Å; F316-W433 AromaticContact CD2-CD2 4Å; F316-W433 HydrophobicContact CD2-CD2 4Å; F316-W433 HydrophobicContact CD2-CE3 4.46Å; F316-W433 AromaticContact CD2-CG 3.65Å; F316-W433 HydrophobicContact CD2-CG 3.65Å; F316-W433 HydrophobicContact CE1-CE3 4.05Å; F316-W433 HydrophobicContact CE2-CB 3.77Å; F316-W433 HydrophobicContact CE2-CG 4.16Å; F316-W433 HydrophobicContact CG-CB 4.3Å; F316-W433 AromaticContact CG-CD2 3.62Å; F316-W433 HydrophobicContact CG-CD2 3.62Å; F316-W433 AromaticContact CG-CE3 3.86Å; F316-W433 HydrophobicContact CG-CE3 3.86Å; F316-W433 AromaticContact CG-CG 3.8Å; F316-W433 HydrophobicContact CG-CG 3.8Å; F316-W433 HydrophobicContact CG-CZ3 4.43Å; F316-W433 HydrophobicContact CZ-CB 4.29Å; L431-W433 HydrophobicContact CD2-CD2 4.24Å; L431-W433 HydrophobicContact CD2-CE3 4.01Å; L431-W433 HydrophobicContact CD2-CH2 3.58Å; L431-W433 HydrophobicContact CD2-CZ2 3.83Å; L431-W433 HydrophobicContact CD2-CZ3 3.67Å; W433-E435 PolarHBondContact O-N 2.89Å; W433-Y436 AromaticContact CE3-CD1 3.91Å; W433-Y436 HydrophobicContact CE3-CD1 3.91Å; W433-Y436 AromaticContact CZ3-CD1 3.88Å; W433-Y436 HydrophobicContact CZ3-CD1 3.88Å; W433-Y436 HydrophobicContact CZ3-CE1 4.14Å; W433-Y436 PolarHBondContact O-N 3.47Å; W433-M437 WeakPolarHBondContact O-CB 3.42Å; W433-M437 VanDerWaalsContact O-CG 3.25Å; W433-M437 WeakPolarHBondContact O-CG 3.43Å; W433-M437 PolarHBondContact O-N 3.32Å
434	A	96.4	Very high	97	Very high	52 Å²	52	38.1 Å²	38.1	43%	0.43	18%	0.184	S	C	.	.	H	α-helix	trans	-64.2	-42.2	-178.2	0	0	0	0	0	111.9	H432 E438	H432-A434 PolarHBondContact O-N 2.89Å; A434-E438 PolarHBondContact O-N 3.29Å
435	E	97.3	Very high	96.9	Very high	110 Å²	110	38.2 Å²	38.2	51%	0.514	18%	0.184	S	C	.	.	H	α-helix	trans	-68.2	-44.1	176.9	-175.7	-173	166.1	0	0	110.9	H432 W433 M437 E438 N439	H432-E435 HydrophobicContact CB-CB 4.45Å; H432-E435 PolarHBondContact ND1-N 2.9Å; H432-E435 PolarHBondContact O-N 2.96Å; W433-E435 PolarHBondContact O-N 2.89Å; E435-M437 VanDerWaalsContact C-N 3.34Å; E435-M437 PolarHBondContact O-N 3.47Å; E435-E438 PolarHBondContact O-N 3.38Å; E435-N439 WeakPolarHBondContact O-CB 3.33Å; E435-N439 PolarHBondContact O-N 2.94Å; E435-N439 PolarHBondContact O-ND2 3.47Å
436	Y	97.9	Very high	96.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-46.9	175.8	174.4	-105.8	0	0	0	111.8	A234 W236 P277 L431 H432 W433 N439 Y440	A234-Y436 PolarHBondContact N-OH 3.3Å; A234-Y436 WeakPolarHBondContact O-CE2 3.41Å; A234-Y436 PolarHBondContact O-OH 3.18Å; W236-Y436 HydrophobicContact CB-CD2 4.09Å; W236-Y436 HydrophobicContact CB-CE2 4.19Å; W236-Y436 HydrophobicContact CG-CD2 4.44Å; P277-Y436 HydrophobicContact CB-CE2 3.96Å; P277-Y436 HydrophobicContact CG-CD2 4.28Å; P277-Y436 HydrophobicContact CG-CE2 3.69Å; L431-Y436 HydrophobicContact CD1-CD2 4.03Å; L431-Y436 HydrophobicContact CD1-CG 3.98Å; H432-Y436 WeakPolarHBondContact O-CB 3.43Å; H432-Y436 PolarHBondContact O-N 3.42Å; W433-Y436 AromaticContact CE3-CD1 3.91Å; W433-Y436 HydrophobicContact CE3-CD1 3.91Å; W433-Y436 AromaticContact CZ3-CD1 3.88Å; W433-Y436 HydrophobicContact CZ3-CD1 3.88Å; W433-Y436 HydrophobicContact CZ3-CE1 4.14Å; W433-Y436 PolarHBondContact O-N 3.47Å; Y436-N439 PolarHBondContact O-N 3.08Å; Y436-Y440 HydrophobicContact CE1-CD1 4.08Å; Y436-Y440 VanDerWaalsContact O-CB 3.31Å; Y436-Y440 WeakPolarHBondContact O-CB 3.44Å; Y436-Y440 PolarHBondContact O-N 3.05Å
437	M	97.8	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.9	-35.4	-179.2	-72.8	-58.6	-59.7	0	0	112.9	F254 L275 F316 V321 C324 I325 W433 E435 C441	F254-M437 HydrophobicContact CD2-CE 4.34Å; F254-M437 HydrophobicContact CE2-CE 3.53Å; F254-M437 HydrophobicContact CE2-SD 4.42Å; F254-M437 HydrophobicContact CZ-CE 3.65Å; L275-M437 HydrophobicContact CD1-SD 4.14Å; F316-M437 HydrophobicContact CE1-CG 3.67Å; F316-M437 HydrophobicContact CE1-SD 3.82Å; F316-M437 HydrophobicContact CZ-CG 3.65Å; F316-M437 HydrophobicContact CZ-SD 4.37Å; V321-M437 HydrophobicContact CG1-CE 4.15Å; C324-M437 HydrophobicContact CB-CB 3.75Å; C324-M437 HydrophobicContact CB-CG 4.18Å; I325-M437 HydrophobicContact CG1-CE 4.13Å; W433-M437 WeakPolarHBondContact O-CB 3.42Å; W433-M437 VanDerWaalsContact O-CG 3.25Å; W433-M437 WeakPolarHBondContact O-CG 3.43Å; W433-M437 PolarHBondContact O-N 3.32Å; E435-M437 VanDerWaalsContact C-N 3.34Å; E435-M437 PolarHBondContact O-N 3.47Å; M437-C441 WeakPolarHBondContact O-CB 3.47Å; M437-C441 PolarHBondContact O-N 2.87Å; M437-C441 PolarHBondContact O-SG 3.39Å
438	E	97	Very high	96.3	Very high	84 Å²	84	42.2 Å²	42.2	39%	0.393	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-52.7	170.8	-179.2	166.9	-157.1	0	0	110.7	T328 N332 A434 E435 Y440 C441 M442	T328-E438 HydrophobicContact CG2-CB 4.48Å; T328-E438 HydrophobicContact CG2-CG 4.07Å; N332-E438 PolarHBondContact ND2-OE1 3.19Å; A434-E438 PolarHBondContact O-N 3.29Å; E435-E438 PolarHBondContact O-N 3.38Å; E438-Y440 VanDerWaalsContact C-N 3.3Å; E438-Y440 PolarHBondContact O-N 2.83Å; E438-C441 PolarHBondContact O-N 3.44Å; E438-M442 HydrophobicContact CG-CG 4.33Å; E438-M442 WeakPolarHBondContact O-CB 3.19Å; E438-M442 VanDerWaalsContact O-CG 3.28Å; E438-M442 WeakPolarHBondContact O-CG 3.29Å; E438-M442 PolarHBondContact O-N 3.43Å
439	N	97.5	Very high	96.2	Very high	50 Å²	50	44 Å²	44	27%	0.267	21%	0.208	S	C	.	.	H	α-helix	trans	-58.9	-40.4	178.1	-76.5	-34.9	0	0	0	112.2	P241 G242 E435 Y436 M442 G443	P241-N439 HydrophobicContact CB-CB 4.33Å; G242-N439 WeakPolarHBondContact CA-O 3.49Å; E435-N439 WeakPolarHBondContact O-CB 3.33Å; E435-N439 PolarHBondContact O-N 2.94Å; E435-N439 PolarHBondContact O-ND2 3.47Å; Y436-N439 PolarHBondContact O-N 3.08Å; N439-M442 PolarHBondContact O-N 3.46Å; N439-G443 PolarHBondContact O-N 2.93Å
440	Y	97.6	Very high	96.1	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-50.9	175.3	-170.1	174.1	0	0	0	110.8	A234 I244 P250 S251 F254 Y436 E438 M442 G443 T444	A234-Y440 HydrophobicContact CB-CD1 4.18Å; A234-Y440 HydrophobicContact CB-CD2 3.28Å; A234-Y440 HydrophobicContact CB-CE1 4.47Å; A234-Y440 HydrophobicContact CB-CE2 3.67Å; A234-Y440 HydrophobicContact CB-CG 3.61Å; I244-Y440 HydrophobicContact CB-CE2 4.48Å; I244-Y440 HydrophobicContact CG1-CE2 4.33Å; I244-Y440 HydrophobicContact CG2-CD2 4.46Å; I244-Y440 HydrophobicContact CG2-CE2 4.27Å; P250-Y440 HydrophobicContact CG-CE1 4.43Å; P250-Y440 WeakPolarHBondContact CG-OH 3.31Å; S251-Y440 PolarHBondContact N-OH 3.19Å; S251-Y440 PolarHBondContact OG-OH 2.68Å; F254-Y440 HydrophobicContact CD2-CD1 4.31Å; F254-Y440 HydrophobicContact CD2-CE1 4.2Å; F254-Y440 HydrophobicContact CD2-CE2 4.47Å; F254-Y440 AromaticContact CE2-CD1 3.74Å; F254-Y440 HydrophobicContact CE2-CD1 3.74Å; F254-Y440 AromaticContact CE2-CE1 3.6Å; F254-Y440 HydrophobicContact CE2-CE1 3.6Å; F254-Y440 HydrophobicContact CE2-CG 4.34Å; Y436-Y440 HydrophobicContact CE1-CD1 4.08Å; Y436-Y440 VanDerWaalsContact O-CB 3.31Å; Y436-Y440 WeakPolarHBondContact O-CB 3.44Å; Y436-Y440 PolarHBondContact O-N 3.05Å; E438-Y440 VanDerWaalsContact C-N 3.3Å; E438-Y440 PolarHBondContact O-N 2.83Å; Y440-M442 VanDerWaalsContact C-N 3.31Å; Y440-M442 PolarHBondContact O-N 3.25Å; Y440-G443 CarbonylContact O-C 3.52Å; Y440-G443 WeakPolarHBondContact O-CA 3.47Å; Y440-G443 PolarHBondContact O-N 3.32Å; Y440-T444 HydrophobicContact CD2-CG2 4.01Å; Y440-T444 HydrophobicContact CE2-CG2 3.9Å; Y440-T444 PolarHBondContact O-N 3.44Å
441	C	96.9	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-43.4	177.6	-70.4	0	0	0	0	111.9	T328 F329 M437 E438 G443 T444 K445	T328-C441 HydrophobicContact CG2-CB 3.56Å; F329-C441 HydrophobicContact CE1-CB 3.91Å; F329-C441 HydrophobicContact CE2-CB 4.15Å; F329-C441 HydrophobicContact CZ-CB 3.63Å; M437-C441 WeakPolarHBondContact O-CB 3.47Å; M437-C441 PolarHBondContact O-N 2.87Å; M437-C441 PolarHBondContact O-SG 3.39Å; E438-C441 PolarHBondContact O-N 3.44Å; C441-G443 VanDerWaalsContact C-N 3.29Å; C441-G443 PolarHBondContact O-N 2.99Å; C441-T444 PolarHBondContact O-N 3.19Å; C441-T444 PolarHBondContact O-OG1 2.89Å; C441-K445 PolarHBondContact O-N 2.89Å
442	M	95.9	Very high	95.7	Very high	33 Å²	33	44.7 Å²	44.7	16%	0.163	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-35.9	174.6	-66.8	-51.7	-66.2	0	0	112.4	N332 E438 N439 Y440 K445 K446 L453 L456	N332-M442 HydrophobicContact CB-CE 4.15Å; N332-M442 HydrophobicContact CB-SD 3.36Å; N332-M442 WeakPolarHBondContact CB-SD 3.34Å; E438-M442 HydrophobicContact CG-CG 4.33Å; E438-M442 WeakPolarHBondContact O-CB 3.19Å; E438-M442 VanDerWaalsContact O-CG 3.28Å; E438-M442 WeakPolarHBondContact O-CG 3.29Å; E438-M442 PolarHBondContact O-N 3.43Å; N439-M442 PolarHBondContact O-N 3.46Å; Y440-M442 VanDerWaalsContact C-N 3.31Å; Y440-M442 PolarHBondContact O-N 3.25Å; M442-K445 HydrophobicContact CE-CD 4.42Å; M442-K445 WeakPolarHBondContact O-CB 3.41Å; M442-K445 PolarHBondContact O-N 2.82Å; M442-K446 PolarHBondContact O-N 3.24Å; M442-L453 HydrophobicContact CE-CD2 3.39Å; M442-L456 HydrophobicContact CE-CD1 4.48Å
443	G	95.4	Very high	95.3	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-46.9	171.1	0	0	0	0	0	113.1	G242 N439 Y440 C441 K445 K446 Y447	G242-G443 WeakPolarHBondContact O-CA 3.4Å; N439-G443 PolarHBondContact O-N 2.93Å; Y440-G443 CarbonylContact O-C 3.52Å; Y440-G443 WeakPolarHBondContact O-CA 3.47Å; Y440-G443 PolarHBondContact O-N 3.32Å; C441-G443 VanDerWaalsContact C-N 3.29Å; C441-G443 PolarHBondContact O-N 2.99Å; G443-K445 VanDerWaalsContact C-N 3.3Å; G443-K445 PolarHBondContact O-N 3.45Å; G443-K446 PolarHBondContact O-N 2.91Å; G443-Y447 WeakPolarHBondContact O-CB 3.19Å; G443-Y447 WeakPolarHBondContact O-CD2 3.32Å; G443-Y447 PolarHBondContact O-N 2.94Å
444	T	95.8	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-62.4	-37.4	176.6	68	0	0	0	0	112.3	I244 I255 Y440 C441 V448 L449	I244-T444 HydrophobicContact CG2-CG2 4.3Å; I255-T444 HydrophobicContact CG1-CG2 4.31Å; Y440-T444 HydrophobicContact CD2-CG2 4.01Å; Y440-T444 HydrophobicContact CE2-CG2 3.9Å; Y440-T444 PolarHBondContact O-N 3.44Å; C441-T444 PolarHBondContact O-N 3.19Å; C441-T444 PolarHBondContact O-OG1 2.89Å; T444-V448 WeakPolarHBondContact O-CB 3.34Å; T444-V448 PolarHBondContact O-N 3.15Å; T444-L449 PolarHBondContact O-N 2.99Å
445	K	94.6	Very high	94.9	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.232	C	C	.	.	I	π-helix	trans	-60.7	-52.9	173.5	-178.3	178.9	169.4	71.5	0	110.9	P333 L334 E335 C441 M442 G443 L449 N450 E451 L456	P333-K445 PolarHBondContact O-NZ 3.18Å; L334-K445 HydrophobicContact CD2-CB 3.56Å; L334-K445 HydrophobicContact CD2-CD 4.28Å; L334-K445 HydrophobicContact CD2-CG 3.81Å; E335-K445 IonicContact OE1-NZ 3.47Å; C441-K445 PolarHBondContact O-N 2.89Å; M442-K445 HydrophobicContact CE-CD 4.42Å; M442-K445 WeakPolarHBondContact O-CB 3.41Å; M442-K445 PolarHBondContact O-N 2.82Å; G443-K445 VanDerWaalsContact C-N 3.3Å; G443-K445 PolarHBondContact O-N 3.45Å; K445-L449 WeakPolarHBondContact O-CB 3.45Å; K445-N450 PolarHBondContact O-N 3.33Å; K445-E451 HydrophobicContact CD-CB 4.48Å; K445-E451 HydrophobicContact CG-CB 3.66Å; K445-E451 WeakPolarHBondContact CG-OE2 3.41Å; K445-E451 IonicContact NZ-OE2 3.71Å; K445-E451 PolarHBondContact NZ-OE2 3.06Å; K445-E451 WeakPolarHBondContact O-CB 3.38Å; K445-E451 PolarHBondContact O-N 3.37Å; K445-L456 HydrophobicContact CD-CD2 4.18Å
446	K	93.9	Very high	94.7	Very high	82 Å²	82	40.6 Å²	40.6	36%	0.357	21%	0.213	S	C	.	.	I	π-helix	trans	-76.7	-44.8	-170	-173	175.5	171.8	-165.4	0	113.6	M442 G443 N450	M442-K446 PolarHBondContact O-N 3.24Å; G443-K446 PolarHBondContact O-N 2.91Å; K446-N450 WeakPolarHBondContact O-CA 3.49Å
447	Y	92.3	Very high	94.6	Very high	41 Å²	41	44.8 Å²	44.8	16%	0.161	24%	0.24	C	C	.	.	I	π-helix	trans	-104.1	-23.7	-166.7	-53.5	-54.3	0	0	0	113.8	K63 F240 G242 I244 G443	K63-Y447 HydrophobicContact CD-CD1 4.19Å; K63-Y447 HydrophobicContact CD-CE1 3.7Å; F240-Y447 HydrophobicContact CD2-CE2 4.24Å; F240-Y447 AromaticContact CD2-CZ 3.95Å; F240-Y447 WeakPolarHBondContact CD2-OH 3.46Å; F240-Y447 AromaticContact CE2-CE1 3.9Å; F240-Y447 HydrophobicContact CE2-CE1 3.9Å; F240-Y447 AromaticContact CE2-CE2 3.69Å; F240-Y447 HydrophobicContact CE2-CE2 3.69Å; F240-Y447 AromaticContact CE2-CZ 3.32Å; F240-Y447 WeakPolarHBondContact CE2-OH 3.35Å; F240-Y447 HydrophobicContact CZ-CE1 4.4Å; G242-Y447 WeakPolarHBondContact O-CD2 3.22Å; I244-Y447 WeakPolarHBondContact O-CB 3.34Å; G443-Y447 WeakPolarHBondContact O-CB 3.19Å; G443-Y447 WeakPolarHBondContact O-CD2 3.32Å; G443-Y447 PolarHBondContact O-N 2.94Å
448	V	94.2	Very high	94.6	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.079	27%	0.267	C	S	.	.	I	π-helix	trans	-101.6	-40.8	-179.1	179.9	0	0	0	0	111.1	I244 F247 I255 T444	I244-V448 HydrophobicContact CG1-CG2 4.28Å; I244-V448 HydrophobicContact CG2-CG2 3.85Å; I244-V448 WeakPolarHBondContact O-CG2 3.5Å; F247-V448 HydrophobicContact CD1-CG1 3.73Å; F247-V448 HydrophobicContact CD2-CG1 3.71Å; F247-V448 HydrophobicContact CE1-CG1 3.47Å; F247-V448 VanDerWaalsContact CE1-CG1 3.47Å; F247-V448 HydrophobicContact CE2-CG1 3.44Å; F247-V448 VanDerWaalsContact CE2-CG1 3.44Å; F247-V448 HydrophobicContact CG-CG1 3.85Å; F247-V448 HydrophobicContact CZ-CG1 3.32Å; I255-V448 HydrophobicContact CD1-CB 4.11Å; I255-V448 HydrophobicContact CD1-CG1 3.57Å; T444-V448 WeakPolarHBondContact O-CB 3.34Å; T444-V448 PolarHBondContact O-N 3.15Å
449	L	94.8	Very high	94.5	Very high	42 Å²	42	44.2 Å²	44.2	22%	0.22	25%	0.25	C	C	.	.	S	Bend	trans	-92.8	-8.1	176.6	-62.5	173.9	0	0	0	113.6	F247 I255 L334 T444 K445 E451	F247-L449 HydrophobicContact CE1-CD2 4.12Å; F247-L449 HydrophobicContact CZ-CD2 4.26Å; I255-L449 HydrophobicContact CD1-CD1 4.49Å; I255-L449 HydrophobicContact CD1-CD2 4.3Å; I255-L449 HydrophobicContact CD1-CG 4.16Å; I255-L449 HydrophobicContact CG1-CD1 4.23Å; I255-L449 HydrophobicContact CG1-CG 4.43Å; I255-L449 HydrophobicContact CG2-CD1 4.07Å; I255-L449 HydrophobicContact CG2-CD2 4.06Å; I255-L449 HydrophobicContact CG2-CG 4.45Å; L334-L449 HydrophobicContact CD1-CD1 3.77Å; L334-L449 HydrophobicContact CD2-CD1 3.83Å; L334-L449 HydrophobicContact CG-CD1 4.27Å; T444-L449 PolarHBondContact O-N 2.99Å; K445-L449 WeakPolarHBondContact O-CB 3.45Å; L449-E451 HydrophobicContact CB-CG 3.88Å; L449-E451 PolarHBondContact O-N 2.83Å
450	N	93.5	Very high	94.4	Very high	133 Å²	133	47.3 Å²	47.3	71%	0.711	26%	0.258	S	S	*	.			trans	53.4	34.5	-176	-57.5	-48.8	0	0	0	112.9	K445 K446	K445-N450 PolarHBondContact O-N 3.33Å; K446-N450 WeakPolarHBondContact O-CA 3.49Å
451	E	94.3	Very high	94.3	Very high	15 Å²	15	55.1 Å²	55.1	7%	0.07	29%	0.292	C	S	.	.			trans	-92.2	124.5	178	-66.5	177.3	-168.3	0	0	110	K259 L334 E335 K445 L449	K259-E451 IonicContact NZ-OE1 2.68Å; K259-E451 PolarHBondContact NZ-OE1 3.19Å; L334-E451 WeakPolarHBondContact CA-OE2 3.36Å; E335-E451 HydrophobicContact CB-CG 4.27Å; E335-E451 HydrophobicContact CG-CG 4.26Å; E335-E451 PolarHBondContact N-OE1 2.86Å; E335-E451 PolarHBondContact N-OE2 3.19Å; K445-E451 HydrophobicContact CD-CB 4.48Å; K445-E451 HydrophobicContact CG-CB 3.66Å; K445-E451 WeakPolarHBondContact CG-OE2 3.41Å; K445-E451 IonicContact NZ-OE2 3.71Å; K445-E451 PolarHBondContact NZ-OE2 3.06Å; K445-E451 WeakPolarHBondContact O-CB 3.38Å; K445-E451 PolarHBondContact O-N 3.37Å; L449-E451 HydrophobicContact CB-CG 3.88Å; L449-E451 PolarHBondContact O-N 2.83Å
452	E	91.3	Very high	94.3	Very high	138 Å²	138	58 Å²	58	65%	0.645	31%	0.305	S	S	*	.			trans	-72.8	152.7	178	-65.8	-169.2	174.2	0	0	112.6	S454 G455	E452-S454 VanDerWaalsContact CB-OG 3.23Å; E452-S454 WeakPolarHBondContact CB-OG 3.11Å; E452-S454 PolarHBondContact O-N 3.26Å; E452-S454 PolarHBondContact OE2-OG 2.97Å; E452-G455 PolarHBondContact O-N 2.66Å
453	L	90.1	Very high	94.2	Very high	90 Å²	90	56.6 Å²	56.6	47%	0.471	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-69.3	-24.8	175.5	-60	-177.6	0	0	0	112.3	M442 G455 L456	M442-L453 HydrophobicContact CE-CD2 3.39Å; L453-G455 PolarHBondContact O-N 2.98Å; L453-L456 HydrophobicContact CB-CD1 4.41Å; L453-L456 HydrophobicContact CD2-CD1 4.28Å; L453-L456 WeakPolarHBondContact O-CB 3.47Å; L453-L456 VanDerWaalsContact O-CG 3.3Å; L453-L456 WeakPolarHBondContact O-CG 3.49Å; L453-L456 PolarHBondContact O-N 3.33Å; L453-L456 VanDerWaalsContact O-N 3.14Å
454	S	92.8	Very high	94.2	Very high	86 Å²	86	59.7 Å²	59.7	60%	0.601	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-57.2	-28.1	172.1	59.7	0	0	0	0	112.3	E452 L456 P457	E452-S454 VanDerWaalsContact CB-OG 3.23Å; E452-S454 WeakPolarHBondContact CB-OG 3.11Å; E452-S454 PolarHBondContact O-N 3.26Å; E452-S454 PolarHBondContact OE2-OG 2.97Å; S454-L456 VanDerWaalsContact C-N 3.34Å; S454-L456 PolarHBondContact O-N 3.24Å; S454-P457 VanDerWaalsContact O-CD 3.24Å; S454-P457 WeakPolarHBondContact O-CD 3.32Å
455	G	92.4	Very high	94.2	Very high	16 Å²	16	66.4 Å²	66.4	17%	0.165	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-77	-8.9	178.3	0	0	0	0	0	115.5	E452 L453 A458 A459	E452-G455 PolarHBondContact O-N 2.66Å; L453-G455 PolarHBondContact O-N 2.98Å; G455-A458 PolarHBondContact O-N 2.88Å; G455-A459 PolarHBondContact O-N 3.46Å
456	L	93.6	Very high	94.1	Very high	23 Å²	23	67.9 Å²	67.9	12%	0.12	35%	0.351	C	S	.	.	H	α-helix	trans	-57.1	-42.5	-176.6	-75.2	172.9	0	0	0	114.6	N332 M442 K445 L453 S454 A458 A459 R460	N332-L456 HydrophobicContact CB-CD2 4.38Å; M442-L456 HydrophobicContact CE-CD1 4.48Å; K445-L456 HydrophobicContact CD-CD2 4.18Å; L453-L456 HydrophobicContact CB-CD1 4.41Å; L453-L456 HydrophobicContact CD2-CD1 4.28Å; L453-L456 WeakPolarHBondContact O-CB 3.47Å; L453-L456 VanDerWaalsContact O-CG 3.3Å; L453-L456 WeakPolarHBondContact O-CG 3.49Å; L453-L456 PolarHBondContact O-N 3.33Å; L453-L456 VanDerWaalsContact O-N 3.14Å; S454-L456 VanDerWaalsContact C-N 3.34Å; S454-L456 PolarHBondContact O-N 3.24Å; L456-A458 VanDerWaalsContact C-N 3.32Å; L456-A458 PolarHBondContact O-N 2.92Å; L456-A459 PolarHBondContact O-N 3.47Å; L456-R460 WeakPolarHBondContact O-CB 3.38Å; L456-R460 WeakPolarHBondContact O-CG 3.27Å; L456-R460 PolarHBondContact O-N 3.34Å
457	P	95.7	Very high	94.2	Very high	90 Å²	90	68.2 Å²	68.2	58%	0.584	35%	0.35	S	S	*	.	H	α-helix	trans	-59.7	-41.9	177.3	-24.2	35.7	0	0	0	112.5	S454 R460 K461	S454-P457 VanDerWaalsContact O-CD 3.24Å; S454-P457 WeakPolarHBondContact O-CD 3.32Å; P457-R460 PolarHBondContact O-N 3.36Å; P457-K461 PolarHBondContact O-N 3.42Å
458	A	96	Very high	94.3	Very high	69 Å²	69	70.2 Å²	70.2	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-66.5	-43.5	177.1	0	0	0	0	0	111.5	G455 L456 R460 K461 H462	G455-A458 PolarHBondContact O-N 2.88Å; L456-A458 VanDerWaalsContact C-N 3.32Å; L456-A458 PolarHBondContact O-N 2.92Å; A458-R460 PolarHBondContact O-N 2.95Å; A458-K461 WeakPolarHBondContact O-CB 3.2Å; A458-K461 PolarHBondContact O-N 3.32Å; A458-H462 PolarHBondContact O-N 2.96Å
459	A	95.6	Very high	94.2	Very high	3 Å²	3	74.1 Å²	74.1	3%	0.025	38%	0.383	C	S	.	.	H	α-helix	trans	-61.9	-40.3	176	0	0	0	0	0	112.4	P333 E335 G455 L456 H462 L463	P333-A459 HydrophobicContact CB-CB 4.3Å; P333-A459 HydrophobicContact CG-CB 3.8Å; E335-A459 HydrophobicContact CG-CB 4.17Å; G455-A459 PolarHBondContact O-N 3.46Å; L456-A459 PolarHBondContact O-N 3.47Å; A459-H462 WeakPolarHBondContact O-CB 3.4Å; A459-H462 PolarHBondContact O-N 2.76Å; A459-L463 PolarHBondContact O-N 2.9Å
460	R	95.8	Very high	93.9	Very high	115 Å²	115	78.5 Å²	78.5	43%	0.434	40%	0.396	S	S	.	.	H	α-helix	trans	-63.2	-42.6	173.4	-73.3	175.7	179.4	165	3.9	111.9	N331 N332 P333 L456 P457 A458 H462 L463 N464	N331-R460 PolarHBondContact O-NE 3.36Å; N331-R460 PolarHBondContact O-NH2 3.33Å; N332-R460 PolarHBondContact OD1-NH2 3.27Å; P333-R460 HydrophobicContact CG-CB 4.42Å; P333-R460 HydrophobicContact CG-CG 3.71Å; L456-R460 WeakPolarHBondContact O-CB 3.38Å; L456-R460 WeakPolarHBondContact O-CG 3.27Å; L456-R460 PolarHBondContact O-N 3.34Å; P457-R460 PolarHBondContact O-N 3.36Å; A458-R460 PolarHBondContact O-N 2.95Å; R460-H462 VanDerWaalsContact C-N 3.34Å; R460-H462 PolarHBondContact O-N 3.3Å; R460-L463 PolarHBondContact O-N 2.95Å; R460-N464 PolarHBondContact O-N 3.45Å
461	K	95.9	Very high	93.9	Very high	164 Å²	164	78.8 Å²	78.8	71%	0.713	39%	0.389	S	S	*	.	H	α-helix	trans	-60.8	-42.7	174.7	-171.7	177.5	-179.3	178.6	0	111.4	P457 A458 N464 K465	P457-K461 PolarHBondContact O-N 3.42Å; A458-K461 WeakPolarHBondContact O-CB 3.2Å; A458-K461 PolarHBondContact O-N 3.32Å; K461-N464 PolarHBondContact O-N 3.29Å; K461-K465 PolarHBondContact O-N 3.2Å
462	H	95.9	Very high	93.9	Very high	61 Å²	61	81.9 Å²	81.9	28%	0.282	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-47.3	174.2	179.5	60.3	0	0	0	112.1	A337 A458 A459 R460 N464 K465 L466	A337-H462 PolarHBondContact O-NE2 3.44Å; A458-H462 PolarHBondContact O-N 2.96Å; A459-H462 WeakPolarHBondContact O-CB 3.4Å; A459-H462 PolarHBondContact O-N 2.76Å; R460-H462 VanDerWaalsContact C-N 3.34Å; R460-H462 PolarHBondContact O-N 3.3Å; H462-N464 VanDerWaalsContact C-N 3.31Å; H462-N464 PolarHBondContact O-N 3.39Å; H462-K465 WeakPolarHBondContact O-CB 3.37Å; H462-K465 PolarHBondContact O-N 3.22Å; H462-K465 VanDerWaalsContact O-N 3.14Å; H462-L466 WeakPolarHBondContact O-CG 3.36Å; H462-L466 PolarHBondContact O-N 2.88Å
463	L	94.8	Very high	93.8	Very high	4 Å²	4	81.6 Å²	81.6	2%	0.021	41%	0.406	C	S	.	.	H	α-helix	trans	-61.2	-37.6	174.5	-77.8	-156.3	0	0	0	112.8	P333 A337 R340 P341 A459 R460 L466 R467	P333-L463 HydrophobicContact CB-CD1 3.42Å; P333-L463 VanDerWaalsContact CB-CD1 3.42Å; P333-L463 HydrophobicContact CB-CG 3.74Å; P333-L463 HydrophobicContact CG-CD1 4.09Å; P333-L463 HydrophobicContact CG-CG 4.29Å; A337-L463 HydrophobicContact CB-CD2 3.82Å; R340-L463 HydrophobicContact CG-CD2 4.25Å; R340-L463 VanDerWaalsContact CZ-O 3.32Å; R340-L463 PolarHBondContact NE-O 3.48Å; R340-L463 VanDerWaalsContact NH2-C 3.28Å; R340-L463 PolarHBondContact NH2-O 3.5Å; P341-L463 HydrophobicContact CG-CD1 4.42Å; A459-L463 PolarHBondContact O-N 2.9Å; R460-L463 PolarHBondContact O-N 2.95Å; L463-L466 HydrophobicContact CD2-CD1 4.03Å; L463-L466 PolarHBondContact O-N 3.39Å; L463-R467 PolarHBondContact O-N 3.5Å
464	N	94.6	Very high	93.8	Very high	68 Å²	68	80.7 Å²	80.7	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-39.6	174.7	-73.8	-21.7	0	0	0	111.8	R340 R460 K461 H462 R467 N468	R340-N464 PolarHBondContact NH2-OD1 2.99Å; R460-N464 PolarHBondContact O-N 3.45Å; K461-N464 PolarHBondContact O-N 3.29Å; H462-N464 VanDerWaalsContact C-N 3.31Å; H462-N464 PolarHBondContact O-N 3.39Å; N464-R467 VanDerWaalsContact O-CB 3.26Å; N464-R467 WeakPolarHBondContact O-CB 3.37Å; N464-R467 PolarHBondContact O-N 3.08Å; N464-N468 VanDerWaalsContact O-CG 3.25Å; N464-N468 PolarHBondContact O-N 2.64Å; N464-N468 PolarHBondContact O-OD1 3.35Å
465	K	95.4	Very high	93.8	Very high	140 Å²	140	80.7 Å²	80.7	61%	0.609	40%	0.398	S	S	*	.	H	α-helix	trans	-59.5	-47.6	171.2	-174.1	-179.4	178.7	-179.7	0	111.4	K461 H462 R467 N468 I469	K461-K465 PolarHBondContact O-N 3.2Å; H462-K465 WeakPolarHBondContact O-CB 3.37Å; H462-K465 PolarHBondContact O-N 3.22Å; H462-K465 VanDerWaalsContact O-N 3.14Å; K465-R467 VanDerWaalsContact C-N 3.27Å; K465-R467 PolarHBondContact O-N 3.48Å; K465-N468 PolarHBondContact O-N 2.88Å; K465-N468 VanDerWaalsContact O-N 3.15Å; K465-I469 HydrophobicContact CG-CD1 4.03Å; K465-I469 WeakPolarHBondContact O-CG1 3.49Å; K465-I469 PolarHBondContact O-N 3.48Å
466	L	94.1	Very high	93.9	Very high	33 Å²	33	84.5 Å²	84.5	17%	0.173	41%	0.413	C	S	.	.	H	α-helix	trans	-61.7	-34.2	176.7	-66.8	177.2	0	0	0	113	A337 R340 H462 L463 I469 R470	A337-L466 WeakPolarHBondContact O-CD1 3.21Å; R340-L466 HydrophobicContact CG-CB 4.26Å; H462-L466 WeakPolarHBondContact O-CG 3.36Å; H462-L466 PolarHBondContact O-N 2.88Å; L463-L466 HydrophobicContact CD2-CD1 4.03Å; L463-L466 PolarHBondContact O-N 3.39Å; L466-I469 HydrophobicContact CD2-CD1 4.45Å; L466-R470 PolarHBondContact O-N 2.84Å
467	R	94.1	Very high	93.8	Very high	89 Å²	89	87 Å²	87	34%	0.336	43%	0.426	S	S	.	.	H	α-helix	trans	-60	-51.5	172.5	-166	177.9	56.3	-170.6	-3.4	110.9	R340 L463 N464 K465 I469 R470 Y471	R340-R467 VanDerWaalsContact NE-CB 3.34Å; L463-R467 PolarHBondContact O-N 3.5Å; N464-R467 VanDerWaalsContact O-CB 3.26Å; N464-R467 WeakPolarHBondContact O-CB 3.37Å; N464-R467 PolarHBondContact O-N 3.08Å; K465-R467 VanDerWaalsContact C-N 3.27Å; K465-R467 PolarHBondContact O-N 3.48Å; R467-I469 VanDerWaalsContact C-N 3.34Å; R467-R470 WeakPolarHBondContact O-CB 3.32Å; R467-R470 PolarHBondContact O-N 3.43Å; R467-Y471 HydrophobicContact CG-CD2 3.84Å; R467-Y471 HydrophobicContact CG-CE2 3.37Å; R467-Y471 PolarHBondContact O-N 3.47Å
468	N	94.6	Very high	93.7	Very high	83 Å²	83	89.4 Å²	89.4	44%	0.444	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-42.5	-175.3	-64.3	-1.3	0	0	0	109.6	N464 K465 R470 Y471 T472	N464-N468 VanDerWaalsContact O-CG 3.25Å; N464-N468 PolarHBondContact O-N 2.64Å; N464-N468 PolarHBondContact O-OD1 3.35Å; K465-N468 PolarHBondContact O-N 2.88Å; K465-N468 VanDerWaalsContact O-N 3.15Å; N468-R470 VanDerWaalsContact C-N 3.32Å; N468-R470 PolarHBondContact O-N 3.44Å; N468-Y471 PolarHBondContact O-N 3.08Å; N468-T472 WeakPolarHBondContact O-CB 3.28Å; N468-T472 PolarHBondContact O-N 3.5Å; N468-T472 PolarHBondContact O-OG1 2.91Å
469	I	92.4	Very high	93.5	Very high	94 Å²	94	89.6 Å²	89.6	48%	0.482	43%	0.426	S	S	.	.	H	α-helix	trans	-54.7	-48.1	172.4	-69.1	166.4	0	0	0	110.9	K465 L466 R467 T472 F473	K465-I469 HydrophobicContact CG-CD1 4.03Å; K465-I469 WeakPolarHBondContact O-CG1 3.49Å; K465-I469 PolarHBondContact O-N 3.48Å; L466-I469 HydrophobicContact CD2-CD1 4.45Å; R467-I469 VanDerWaalsContact C-N 3.34Å; I469-T472 PolarHBondContact O-N 3.33Å; I469-F473 VanDerWaalsContact O-CB 3.29Å; I469-F473 WeakPolarHBondContact O-CB 3.31Å; I469-F473 PolarHBondContact O-N 3.41Å
470	R	89.4	Confident	93.3	Very high	134 Å²	134	94 Å²	94	51%	0.506	45%	0.448	S	S	.	.	H	α-helix	trans	-62.2	-45	177.9	179.4	-179.5	174.5	-174.3	-1.9	112.1	L466 R467 N468 F473 N474	L466-R470 PolarHBondContact O-N 2.84Å; R467-R470 WeakPolarHBondContact O-CB 3.32Å; R467-R470 PolarHBondContact O-N 3.43Å; N468-R470 VanDerWaalsContact C-N 3.32Å; N468-R470 PolarHBondContact O-N 3.44Å; R470-F473 PolarHBondContact O-N 2.78Å; R470-N474 WeakPolarHBondContact O-CB 3.29Å; R470-N474 VanDerWaalsContact O-CG 3.29Å; R470-N474 PolarHBondContact O-N 2.89Å
471	Y	92.9	Very high	93	Very high	139 Å²	139	93.4 Å²	93.4	55%	0.545	45%	0.453	S	S	.	.	H	α-helix	trans	-64.9	-43.4	178.8	-69.8	-28	0	0	0	111.9	R467 N468 N474 T475	R467-Y471 HydrophobicContact CG-CD2 3.84Å; R467-Y471 HydrophobicContact CG-CE2 3.37Å; R467-Y471 PolarHBondContact O-N 3.47Å; N468-Y471 PolarHBondContact O-N 3.08Å; Y471-N474 PolarHBondContact O-N 2.89Å; Y471-T475 VanDerWaalsContact O-CB 3.29Å; Y471-T475 WeakPolarHBondContact O-CB 3.37Å; Y471-T475 PolarHBondContact O-N 2.76Å; Y471-T475 PolarHBondContact O-OG1 2.82Å
472	T	93.7	Very high	92.6	Very high	81 Å²	81	89.9 Å²	89.9	50%	0.497	44%	0.435	S	S	.	.	H	α-helix	trans	-60.5	-49	174.8	-58.8	0	0	0	0	110.8	N468 I469 N474 T475 I476	N468-T472 WeakPolarHBondContact O-CB 3.28Å; N468-T472 PolarHBondContact O-N 3.5Å; N468-T472 PolarHBondContact O-OG1 2.91Å; I469-T472 PolarHBondContact O-N 3.33Å; T472-N474 PolarHBondContact O-N 3.48Å; T472-T475 PolarHBondContact O-N 2.87Å; T472-I476 HydrophobicContact CG2-CD1 3.84Å; T472-I476 HydrophobicContact CG2-CG1 4.49Å; T472-I476 VanDerWaalsContact O-CG1 3.31Å; T472-I476 WeakPolarHBondContact O-CG1 3.24Å; T472-I476 PolarHBondContact O-N 3.39Å
473	F	90.6	Very high	92.3	Very high	132 Å²	132	95.8 Å²	95.8	58%	0.579	45%	0.454	S	S	*	.	H	α-helix	trans	-58.2	-49.6	177.4	177.7	-95.3	0	0	0	112.1	I469 R470 T475 I476 L477	I469-F473 VanDerWaalsContact O-CB 3.29Å; I469-F473 WeakPolarHBondContact O-CB 3.31Å; I469-F473 PolarHBondContact O-N 3.41Å; R470-F473 PolarHBondContact O-N 2.78Å; F473-T475 VanDerWaalsContact C-N 3.31Å; F473-T475 PolarHBondContact O-N 3.18Å; F473-I476 PolarHBondContact O-N 3.25Å; F473-L477 HydrophobicContact CE1-CD2 4.23Å; F473-L477 WeakPolarHBondContact O-CB 3.45Å; F473-L477 PolarHBondContact O-N 3.27Å
474	N	90.1	Very high	92	Very high	71 Å²	71	100.3 Å²	100.3	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-62.7	-38.6	178.8	-76.6	4	0	0	0	112.2	R470 Y471 T472 L477 M478	R470-N474 WeakPolarHBondContact O-CB 3.29Å; R470-N474 VanDerWaalsContact O-CG 3.29Å; R470-N474 PolarHBondContact O-N 2.89Å; Y471-N474 PolarHBondContact O-N 2.89Å; T472-N474 PolarHBondContact O-N 3.48Å; N474-L477 PolarHBondContact O-N 2.89Å; N474-M478 VanDerWaalsContact O-CB 3.27Å; N474-M478 WeakPolarHBondContact O-CB 3.43Å; N474-M478 PolarHBondContact O-N 2.88Å
475	T	93	Very high	91.7	Very high	85 Å²	85	102.5 Å²	102.5	52%	0.521	48%	0.484	S	S	.	.	H	α-helix	trans	-66	-46	177.6	-56	0	0	0	0	110.6	Y471 T472 F473 L477 M478 V479	Y471-T475 VanDerWaalsContact O-CB 3.29Å; Y471-T475 WeakPolarHBondContact O-CB 3.37Å; Y471-T475 PolarHBondContact O-N 2.76Å; Y471-T475 PolarHBondContact O-OG1 2.82Å; T472-T475 PolarHBondContact O-N 2.87Å; F473-T475 VanDerWaalsContact C-N 3.31Å; F473-T475 PolarHBondContact O-N 3.18Å; T475-L477 PolarHBondContact O-N 3.32Å; T475-M478 PolarHBondContact O-N 3.36Å; T475-V479 VanDerWaalsContact O-CG2 3.28Å; T475-V479 WeakPolarHBondContact O-CG2 3.44Å; T475-V479 PolarHBondContact O-N 3.13Å
476	I	94.1	Very high	91.5	Very high	96 Å²	96	97.2 Å²	97.2	49%	0.492	46%	0.462	S	S	.	.	H	α-helix	trans	-60.5	-47.6	175.7	-68.5	168.3	0	0	0	110.4	T472 F473 M478 V479 L480	T472-I476 HydrophobicContact CG2-CD1 3.84Å; T472-I476 HydrophobicContact CG2-CG1 4.49Å; T472-I476 VanDerWaalsContact O-CG1 3.31Å; T472-I476 WeakPolarHBondContact O-CG1 3.24Å; T472-I476 PolarHBondContact O-N 3.39Å; F473-I476 PolarHBondContact O-N 3.25Å; I476-M478 VanDerWaalsContact C-N 3.34Å; I476-M478 PolarHBondContact O-N 2.95Å; I476-V479 PolarHBondContact O-N 3.41Å; I476-L480 HydrophobicContact CG2-CD1 3.97Å; I476-L480 HydrophobicContact CG2-CG 4.36Å; I476-L480 WeakPolarHBondContact O-CG 3.34Å; I476-L480 PolarHBondContact O-N 3.28Å
477	L	91.6	Very high	91.1	Very high	76 Å²	76	98.9 Å²	98.9	40%	0.398	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-44.7	178.7	-177.1	63.9	0	0	0	111.5	F473 N474 T475 V479 L480 I481	F473-L477 HydrophobicContact CE1-CD2 4.23Å; F473-L477 WeakPolarHBondContact O-CB 3.45Å; F473-L477 PolarHBondContact O-N 3.27Å; N474-L477 PolarHBondContact O-N 2.89Å; T475-L477 PolarHBondContact O-N 3.32Å; L477-V479 PolarHBondContact O-N 3.19Å; L477-L480 PolarHBondContact O-N 3.25Å; L477-I481 HydrophobicContact CD1-CD1 4.16Å; L477-I481 HydrophobicContact CD1-CG1 4.43Å; L477-I481 HydrophobicContact CG-CD1 3.93Å; L477-I481 VanDerWaalsContact O-CG1 3.31Å; L477-I481 WeakPolarHBondContact O-CG1 3.32Å; L477-I481 PolarHBondContact O-N 3.18Å
478	M	92.3	Very high	90.9	Very high	141 Å²	141	105.3 Å²	105.3	70%	0.695	51%	0.505	S	S	*	.	H	α-helix	trans	-60.4	-44.4	175.8	-177.3	179.4	177.1	0	0	111.5	N474 T475 I476 L480 I481 W482	N474-M478 VanDerWaalsContact O-CB 3.27Å; N474-M478 WeakPolarHBondContact O-CB 3.43Å; N474-M478 PolarHBondContact O-N 2.88Å; T475-M478 PolarHBondContact O-N 3.36Å; I476-M478 VanDerWaalsContact C-N 3.34Å; I476-M478 PolarHBondContact O-N 2.95Å; M478-L480 PolarHBondContact O-N 3.42Å; M478-I481 PolarHBondContact O-N 2.78Å; M478-W482 WeakPolarHBondContact O-CB 3.46Å; M478-W482 PolarHBondContact O-N 3.49Å
479	V	91.6	Very high	90.7	Very high	73 Å²	73	102.8 Å²	102.8	44%	0.442	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-41.1	176.6	169.7	0	0	0	0	111.5	T475 I476 L477 W482 R483	T475-V479 VanDerWaalsContact O-CG2 3.28Å; T475-V479 WeakPolarHBondContact O-CG2 3.44Å; T475-V479 PolarHBondContact O-N 3.13Å; I476-V479 PolarHBondContact O-N 3.41Å; L477-V479 PolarHBondContact O-N 3.19Å; V479-W482 PolarHBondContact O-N 2.97Å; V479-R483 WeakPolarHBondContact O-CB 3.41Å; V479-R483 WeakPolarHBondContact O-CG 3.35Å; V479-R483 PolarHBondContact O-N 3.49Å
480	L	92.2	Very high	90.4	Very high	95 Å²	95	103.3 Å²	103.3	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-47.5	177.6	-70.9	173.4	0	0	0	111.9	I476 L477 M478 W482 R483 I484	I476-L480 HydrophobicContact CG2-CD1 3.97Å; I476-L480 HydrophobicContact CG2-CG 4.36Å; I476-L480 WeakPolarHBondContact O-CG 3.34Å; I476-L480 PolarHBondContact O-N 3.28Å; L477-L480 PolarHBondContact O-N 3.25Å; M478-L480 PolarHBondContact O-N 3.42Å; L480-W482 VanDerWaalsContact C-N 3.32Å; L480-W482 PolarHBondContact O-N 3.46Å; L480-R483 PolarHBondContact O-N 3.33Å; L480-I484 WeakPolarHBondContact O-CG1 3.07Å; L480-I484 PolarHBondContact O-N 3.49Å
481	I	90.3	Very high	90.2	Very high	103 Å²	103	103.5 Å²	103.5	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-59.5	-46.3	176	-68.5	169.2	0	0	0	110.1	L477 M478 R483 I484 F485	L477-I481 HydrophobicContact CD1-CD1 4.16Å; L477-I481 HydrophobicContact CD1-CG1 4.43Å; L477-I481 HydrophobicContact CG-CD1 3.93Å; L477-I481 VanDerWaalsContact O-CG1 3.31Å; L477-I481 WeakPolarHBondContact O-CG1 3.32Å; L477-I481 PolarHBondContact O-N 3.18Å; M478-I481 PolarHBondContact O-N 2.78Å; I481-R483 PolarHBondContact O-N 3.02Å; I481-I484 PolarHBondContact O-N 2.97Å; I481-F485 WeakPolarHBondContact O-CB 3.42Å; I481-F485 PolarHBondContact O-N 3.44Å
482	W	87.8	Confident	89.8	Confident	90 Å²	90	97 Å²	97	34%	0.341	48%	0.478	S	S	.	.	H	α-helix	trans	-61.3	-42.2	178.3	-175.1	-118	0	0	0	112.2	M478 V479 L480 I484 F485 I486 W496	M478-W482 WeakPolarHBondContact O-CB 3.46Å; M478-W482 PolarHBondContact O-N 3.49Å; V479-W482 PolarHBondContact O-N 2.97Å; L480-W482 VanDerWaalsContact C-N 3.32Å; L480-W482 PolarHBondContact O-N 3.46Å; W482-I484 PolarHBondContact O-N 3.27Å; W482-F485 HydrophobicContact CE3-CD1 4.15Å; W482-F485 AromaticContact CZ3-CD1 3.84Å; W482-F485 HydrophobicContact CZ3-CD1 3.84Å; W482-F485 HydrophobicContact CZ3-CE1 4.27Å; W482-F485 PolarHBondContact O-N 2.98Å; W482-I486 HydrophobicContact CD2-CD1 4.16Å; W482-I486 HydrophobicContact CD2-CG1 4.29Å; W482-I486 VanDerWaalsContact CE2-CD1 3.45Å; W482-I486 HydrophobicContact CG-CD1 4.29Å; W482-I486 HydrophobicContact CZ2-CD1 3.84Å; W482-I486 HydrophobicContact CZ2-CG1 4.11Å; W482-I486 WeakPolarHBondContact O-CB 3.37Å; W482-I486 WeakPolarHBondContact O-CG1 3.5Å; W482-I486 PolarHBondContact O-N 2.93Å; W482-W496 AromaticContact CE2-CE3 3.79Å; W482-W496 HydrophobicContact CZ2-CB 4.27Å; W482-W496 HydrophobicContact CZ2-CD2 4.4Å; W482-W496 AromaticContact CZ2-CE3 3.76Å; W482-W496 HydrophobicContact CZ2-CE3 3.76Å; W482-W496 AromaticContact NE1-CD2 3.68Å; W482-W496 AromaticContact NE1-CE3 3.22Å; W482-W496 AromaticContact NE1-CZ3 3.46Å
483	R	88.3	Confident	89.6	Confident	184 Å²	184	96.7 Å²	96.7	69%	0.694	47%	0.468	S	S	*	.	H	α-helix	trans	-61.1	-44.2	174.6	-83.7	-166.4	174.7	-144.8	0.9	112.4	V479 L480 I481 F485 A487	V479-R483 WeakPolarHBondContact O-CB 3.41Å; V479-R483 WeakPolarHBondContact O-CG 3.35Å; V479-R483 PolarHBondContact O-N 3.49Å; L480-R483 PolarHBondContact O-N 3.33Å; I481-R483 PolarHBondContact O-N 3.02Å; R483-F485 VanDerWaalsContact C-N 3.32Å; R483-F485 PolarHBondContact O-N 3.23Å; R483-A487 WeakPolarHBondContact O-CB 3.48Å; R483-A487 PolarHBondContact O-N 3.5Å
484	I	89.6	Confident	89.4	Confident	99 Å²	99	94.7 Å²	94.7	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-42	177.1	-66.5	166.3	0	0	0	110.3	L480 I481 W482 A487 R488	L480-I484 WeakPolarHBondContact O-CG1 3.07Å; L480-I484 PolarHBondContact O-N 3.49Å; I481-I484 PolarHBondContact O-N 2.97Å; W482-I484 PolarHBondContact O-N 3.27Å; I484-A487 PolarHBondContact O-N 3.46Å; I484-R488 PolarHBondContact O-N 2.82Å; I484-R488 VanDerWaalsContact O-N 3.13Å
485	F	88	Confident	89.2	Confident	114 Å²	114	95.3 Å²	95.3	50%	0.5	47%	0.466	S	S	.	.	H	α-helix	trans	-64.7	-46.3	179.4	-171.1	-109.5	0	0	0	112.3	I481 W482 R483 A487 R488 S489 A492	I481-F485 WeakPolarHBondContact O-CB 3.42Å; I481-F485 PolarHBondContact O-N 3.44Å; W482-F485 HydrophobicContact CE3-CD1 4.15Å; W482-F485 AromaticContact CZ3-CD1 3.84Å; W482-F485 HydrophobicContact CZ3-CD1 3.84Å; W482-F485 HydrophobicContact CZ3-CE1 4.27Å; W482-F485 PolarHBondContact O-N 2.98Å; R483-F485 VanDerWaalsContact C-N 3.32Å; R483-F485 PolarHBondContact O-N 3.23Å; F485-A487 VanDerWaalsContact C-N 3.34Å; F485-A487 PolarHBondContact O-N 2.88Å; F485-R488 PolarHBondContact O-N 3.17Å; F485-S489 WeakPolarHBondContact O-CB 3.41Å; F485-S489 PolarHBondContact O-N 3.49Å; F485-A492 HydrophobicContact CD1-CB 3.52Å; F485-A492 HydrophobicContact CE1-CB 3.44Å; F485-A492 VanDerWaalsContact CE1-CB 3.44Å; F485-A492 HydrophobicContact CZ-CB 4.4Å
486	I	90.4	Very high	88.9	Confident	29 Å²	29	96.5 Å²	96.5	15%	0.149	46%	0.461	C	S	.	.	H	α-helix	trans	-61.1	-41.6	173.3	-73.3	-178.5	0	0	0	111.4	W482 R488 A492 R493 W496	W482-I486 HydrophobicContact CD2-CD1 4.16Å; W482-I486 HydrophobicContact CD2-CG1 4.29Å; W482-I486 VanDerWaalsContact CE2-CD1 3.45Å; W482-I486 HydrophobicContact CG-CD1 4.29Å; W482-I486 HydrophobicContact CZ2-CD1 3.84Å; W482-I486 HydrophobicContact CZ2-CG1 4.11Å; W482-I486 WeakPolarHBondContact O-CB 3.37Å; W482-I486 WeakPolarHBondContact O-CG1 3.5Å; W482-I486 PolarHBondContact O-N 2.93Å; I486-R488 PolarHBondContact O-N 2.89Å; I486-A492 HydrophobicContact CG1-CB 4.31Å; I486-R493 HydrophobicContact CG2-CG 3.5Å; I486-R493 VanDerWaalsContact CG2-CG 3.5Å; I486-R493 WeakPolarHBondContact O-CG 3.44Å; I486-R493 PolarHBondContact O-NH1 3.28Å; I486-W496 HydrophobicContact CD1-CB 3.71Å; I486-W496 HydrophobicContact CD1-CD2 3.92Å; I486-W496 HydrophobicContact CD1-CG 3.53Å
487	A	86.4	Confident	88.5	Confident	69 Å²	69	99.4 Å²	99.4	57%	0.57	47%	0.466	S	S	*	.	H	α-helix	trans	-60.7	-34.8	178.7	0	0	0	0	0	111.7	R483 I484 F485 R493	R483-A487 WeakPolarHBondContact O-CB 3.48Å; R483-A487 PolarHBondContact O-N 3.5Å; I484-A487 PolarHBondContact O-N 3.46Å; F485-A487 VanDerWaalsContact C-N 3.34Å; F485-A487 PolarHBondContact O-N 2.88Å; A487-R493 PolarHBondContact O-NH1 3.46Å
488	R	89.3	Confident	88.3	Confident	223 Å²	223	102.4 Å²	102.4	84%	0.842	48%	0.477	S	S	*	.	H	α-helix	trans	-97.3	-11.2	-175.4	-65.8	-170.4	176	-170.4	-0.6	115.5	I484 F485 I486	I484-R488 PolarHBondContact O-N 2.82Å; I484-R488 VanDerWaalsContact O-N 3.13Å; F485-R488 PolarHBondContact O-N 3.17Å; I486-R488 PolarHBondContact O-N 2.89Å
489	S	89.8	Confident	88	Confident	31 Å²	31	98.8 Å²	98.8	22%	0.217	46%	0.462	C	S	.	.			trans	-128	119.1	-176.9	175.8	0	0	0	0	112.9	F485 M491 A492 R493	F485-S489 WeakPolarHBondContact O-CB 3.41Å; F485-S489 PolarHBondContact O-N 3.49Å; S489-M491 VanDerWaalsContact C-N 3.33Å; S489-M491 PolarHBondContact O-N 2.87Å; S489-A492 PolarHBondContact O-N 3.26Å; S489-A492 PolarHBondContact OG-N 3.46Å; S489-R493 PolarHBondContact O-N 2.89Å; S489-R493 VanDerWaalsContact O-N 3.08Å
490	Q	86.1	Confident	87.8	Confident	104 Å²	104	97.4 Å²	97.4	49%	0.486	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-38.4	174.7	-173.9	64.4	37.5	0	0	111.9	A492 R493 N494	Q490-A492 VanDerWaalsContact C-N 3.34Å; Q490-A492 PolarHBondContact O-N 2.81Å; Q490-R493 WeakPolarHBondContact O-CB 3.19Å; Q490-R493 PolarHBondContact O-N 3.28Å; Q490-R493 VanDerWaalsContact OE1-CZ 3.27Å; Q490-N494 PolarHBondContact NE2-OD1 3.49Å; Q490-N494 VanDerWaalsContact O-CG 3.23Å; Q490-N494 PolarHBondContact O-N 2.92Å; Q490-N494 PolarHBondContact O-OD1 2.92Å
491	M	86	Confident	87.5	Confident	138 Å²	138	95.6 Å²	95.6	68%	0.68	45%	0.449	S	S	*	.	H	α-helix	trans	-62.2	-43.2	176.2	-178.4	178.1	130.6	0	0	111.1	S489 R493 N494 I495	S489-M491 VanDerWaalsContact C-N 3.33Å; S489-M491 PolarHBondContact O-N 2.87Å; M491-R493 PolarHBondContact O-N 2.91Å; M491-N494 PolarHBondContact O-N 3.49Å; M491-I495 HydrophobicContact CE-CD1 4Å; M491-I495 HydrophobicContact CG-CD1 4Å; M491-I495 WeakPolarHBondContact O-CG1 3.38Å; M491-I495 PolarHBondContact O-N 2.94Å
492	A	85.1	Confident	87.3	Confident	3 Å²	3	95.5 Å²	95.5	3%	0.025	45%	0.449	C	S	.	.	H	α-helix	trans	-64	-40.1	176.7	0	0	0	0	0	112.4	F485 I486 S489 Q490 W496	F485-A492 HydrophobicContact CD1-CB 3.52Å; F485-A492 HydrophobicContact CE1-CB 3.44Å; F485-A492 VanDerWaalsContact CE1-CB 3.44Å; F485-A492 HydrophobicContact CZ-CB 4.4Å; I486-A492 HydrophobicContact CG1-CB 4.31Å; S489-A492 PolarHBondContact O-N 3.26Å; S489-A492 PolarHBondContact OG-N 3.46Å; Q490-A492 VanDerWaalsContact C-N 3.34Å; Q490-A492 PolarHBondContact O-N 2.81Å; A492-W496 WeakPolarHBondContact O-CB 3.31Å; A492-W496 PolarHBondContact O-N 3.12Å
493	R	88.3	Confident	87.3	Confident	74 Å²	74	94.4 Å²	94.4	28%	0.279	45%	0.454	S	S	.	.	H	α-helix	trans	-56.8	-51	171.1	-80.9	-173.3	-68.3	-103	15.2	111.6	I486 A487 S489 Q490 M491 I495 W496 Y497	I486-R493 HydrophobicContact CG2-CG 3.5Å; I486-R493 VanDerWaalsContact CG2-CG 3.5Å; I486-R493 WeakPolarHBondContact O-CG 3.44Å; I486-R493 PolarHBondContact O-NH1 3.28Å; A487-R493 PolarHBondContact O-NH1 3.46Å; S489-R493 PolarHBondContact O-N 2.89Å; S489-R493 VanDerWaalsContact O-N 3.08Å; Q490-R493 WeakPolarHBondContact O-CB 3.19Å; Q490-R493 PolarHBondContact O-N 3.28Å; Q490-R493 VanDerWaalsContact OE1-CZ 3.27Å; M491-R493 PolarHBondContact O-N 2.91Å; R493-I495 PolarHBondContact O-N 3.22Å; R493-W496 WeakPolarHBondContact O-CB 3.4Å; R493-W496 PolarHBondContact O-N 2.99Å; R493-Y497 HydrophobicContact CB-CD2 4.36Å; R493-Y497 HydrophobicContact CB-CE2 4.24Å; R493-Y497 WeakPolarHBondContact O-CD2 3.44Å; R493-Y497 PolarHBondContact O-N 2.93Å
494	N	87.5	Confident	87.3	Confident	90 Å²	90	92.5 Å²	92.5	48%	0.481	45%	0.452	S	S	.	.	H	α-helix	trans	-62.1	-44.2	-176.9	-66.9	-4	0	0	0	111.4	Q490 M491 W496 Y497 F498	Q490-N494 PolarHBondContact NE2-OD1 3.49Å; Q490-N494 VanDerWaalsContact O-CG 3.23Å; Q490-N494 PolarHBondContact O-N 2.92Å; Q490-N494 PolarHBondContact O-OD1 2.92Å; M491-N494 PolarHBondContact O-N 3.49Å; N494-W496 VanDerWaalsContact C-N 3.35Å; N494-W496 PolarHBondContact O-N 2.9Å; N494-Y497 PolarHBondContact O-N 3.28Å; N494-F498 WeakPolarHBondContact O-CB 3.29Å; N494-F498 PolarHBondContact O-N 3.22Å
495	I	85.9	Confident	87.1	Confident	85 Å²	85	94.6 Å²	94.6	44%	0.436	46%	0.457	S	S	.	.	H	α-helix	trans	-60.9	-44.5	174.6	-67.9	168.1	0	0	0	110.6	M491 R493 F498 V499	M491-I495 HydrophobicContact CE-CD1 4Å; M491-I495 HydrophobicContact CG-CD1 4Å; M491-I495 WeakPolarHBondContact O-CG1 3.38Å; M491-I495 PolarHBondContact O-N 2.94Å; R493-I495 PolarHBondContact O-N 3.22Å; I495-F498 PolarHBondContact O-N 2.99Å; I495-V499 HydrophobicContact CG2-CG2 4.43Å; I495-V499 WeakPolarHBondContact O-CG2 3.41Å; I495-V499 PolarHBondContact O-N 3.38Å
496	W	85.9	Confident	87	Confident	110 Å²	110	95.4 Å²	95.4	42%	0.417	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-47.3	178.5	180	-108.9	0	0	0	112.6	W482 I486 A492 R493 N494 F498 V499 V500	W482-W496 AromaticContact CE2-CE3 3.79Å; W482-W496 HydrophobicContact CZ2-CB 4.27Å; W482-W496 HydrophobicContact CZ2-CD2 4.4Å; W482-W496 AromaticContact CZ2-CE3 3.76Å; W482-W496 HydrophobicContact CZ2-CE3 3.76Å; W482-W496 AromaticContact NE1-CD2 3.68Å; W482-W496 AromaticContact NE1-CE3 3.22Å; W482-W496 AromaticContact NE1-CZ3 3.46Å; I486-W496 HydrophobicContact CD1-CB 3.71Å; I486-W496 HydrophobicContact CD1-CD2 3.92Å; I486-W496 HydrophobicContact CD1-CG 3.53Å; A492-W496 WeakPolarHBondContact O-CB 3.31Å; A492-W496 PolarHBondContact O-N 3.12Å; R493-W496 WeakPolarHBondContact O-CB 3.4Å; R493-W496 PolarHBondContact O-N 2.99Å; N494-W496 VanDerWaalsContact C-N 3.35Å; N494-W496 PolarHBondContact O-N 2.9Å; W496-F498 VanDerWaalsContact C-N 3.3Å; W496-F498 PolarHBondContact O-N 3.31Å; W496-V499 PolarHBondContact O-N 3.34Å; W496-V500 HydrophobicContact CD2-CG2 3.97Å; W496-V500 HydrophobicContact CE3-CG2 4.47Å; W496-V500 HydrophobicContact CG-CG2 4.41Å; W496-V500 HydrophobicContact CH2-CG2 4.3Å; W496-V500 HydrophobicContact CZ2-CG2 3.75Å; W496-V500 WeakPolarHBondContact O-CB 3.34Å; W496-V500 VanDerWaalsContact O-CG2 3.32Å; W496-V500 WeakPolarHBondContact O-CG2 3.31Å; W496-V500 PolarHBondContact O-N 3.48Å
497	Y	86.3	Confident	86.6	Confident	156 Å²	156	99.4 Å²	99.4	61%	0.612	48%	0.482	S	S	*	.	H	α-helix	trans	-60.8	-40	175.9	-76.4	-63.7	0	0	0	112.1	R493 N494 S501	R493-Y497 HydrophobicContact CB-CD2 4.36Å; R493-Y497 HydrophobicContact CB-CE2 4.24Å; R493-Y497 WeakPolarHBondContact O-CD2 3.44Å; R493-Y497 PolarHBondContact O-N 2.93Å; N494-Y497 PolarHBondContact O-N 3.28Å; Y497-S501 WeakPolarHBondContact O-CB 3.41Å; Y497-S501 PolarHBondContact O-N 2.81Å
498	F	87.6	Confident	86.3	Confident	140 Å²	140	99.5 Å²	99.5	61%	0.614	48%	0.478	S	S	*	.	H	α-helix	trans	-61.1	-49.6	175.1	177.6	-98.3	0	0	0	111.8	N494 I495 W496 S501 L502	N494-F498 WeakPolarHBondContact O-CB 3.29Å; N494-F498 PolarHBondContact O-N 3.22Å; I495-F498 PolarHBondContact O-N 2.99Å; W496-F498 VanDerWaalsContact C-N 3.3Å; W496-F498 PolarHBondContact O-N 3.31Å; F498-S501 PolarHBondContact O-N 2.81Å; F498-L502 HydrophobicContact CZ-CD1 4.46Å; F498-L502 WeakPolarHBondContact O-CB 3.32Å; F498-L502 PolarHBondContact O-N 3.03Å
499	V	86.4	Confident	85.9	Confident	64 Å²	64	96.8 Å²	96.8	39%	0.388	47%	0.469	S	S	.	.	H	α-helix	trans	-62.6	-46.3	178.8	172.3	0	0	0	0	111.4	I495 W496 S501 L502 C503	I495-V499 HydrophobicContact CG2-CG2 4.43Å; I495-V499 WeakPolarHBondContact O-CG2 3.41Å; I495-V499 PolarHBondContact O-N 3.38Å; W496-V499 PolarHBondContact O-N 3.34Å; V499-S501 VanDerWaalsContact C-N 3.34Å; V499-S501 PolarHBondContact O-N 3.48Å; V499-L502 WeakPolarHBondContact O-CB 3.48Å; V499-L502 PolarHBondContact O-N 3.3Å; V499-C503 PolarHBondContact O-N 2.92Å; V499-C503 PolarHBondContact O-SG 2.96Å; V499-C503 VanDerWaalsContact O-SG 3.36Å
500	V	86.5	Confident	85.1	Confident	45 Å²	45	101.2 Å²	101.2	27%	0.273	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-42.9	178	172.2	0	0	0	0	110.8	W496 L502 C503 F504	W496-V500 HydrophobicContact CD2-CG2 3.97Å; W496-V500 HydrophobicContact CE3-CG2 4.47Å; W496-V500 HydrophobicContact CG-CG2 4.41Å; W496-V500 HydrophobicContact CH2-CG2 4.3Å; W496-V500 HydrophobicContact CZ2-CG2 3.75Å; W496-V500 WeakPolarHBondContact O-CB 3.34Å; W496-V500 VanDerWaalsContact O-CG2 3.32Å; W496-V500 WeakPolarHBondContact O-CG2 3.31Å; W496-V500 PolarHBondContact O-N 3.48Å; V500-L502 VanDerWaalsContact C-N 3.34Å; V500-L502 PolarHBondContact O-N 3.31Å; V500-C503 PolarHBondContact O-N 3.08Å; V500-F504 HydrophobicContact CG1-CD2 3.73Å; V500-F504 HydrophobicContact CG1-CE2 3.84Å; V500-F504 PolarHBondContact O-N 3.5Å; V500-F504 WeakPolarHBondContact O-CD2 3.33Å
501	S	85.6	Confident	84.4	Confident	56 Å²	56	105.7 Å²	105.7	39%	0.392	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-42.5	175.3	-175.3	0	0	0	0	112.1	Y497 F498 V499 F504 K505	Y497-S501 WeakPolarHBondContact O-CB 3.41Å; Y497-S501 PolarHBondContact O-N 2.81Å; F498-S501 PolarHBondContact O-N 2.81Å; V499-S501 VanDerWaalsContact C-N 3.34Å; V499-S501 PolarHBondContact O-N 3.48Å; S501-F504 PolarHBondContact O-N 2.94Å; S501-K505 WeakPolarHBondContact O-CG 3.34Å; S501-K505 PolarHBondContact O-N 2.94Å
502	L	87.7	Confident	83.6	Confident	101 Å²	101	101.7 Å²	101.7	53%	0.529	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-46.2	176.2	-159.9	92.4	0	0	0	111.3	F498 V499 V500 F504 K505 F506	F498-L502 HydrophobicContact CZ-CD1 4.46Å; F498-L502 WeakPolarHBondContact O-CB 3.32Å; F498-L502 PolarHBondContact O-N 3.03Å; V499-L502 WeakPolarHBondContact O-CB 3.48Å; V499-L502 PolarHBondContact O-N 3.3Å; V500-L502 VanDerWaalsContact C-N 3.34Å; V500-L502 PolarHBondContact O-N 3.31Å; L502-F504 PolarHBondContact O-N 3.22Å; L502-K505 PolarHBondContact O-N 3.33Å; L502-F506 WeakPolarHBondContact O-CB 3.37Å; L502-F506 PolarHBondContact O-N 3.28Å
503	C	86.9	Confident	82.5	Confident	67 Å²	67	104.8 Å²	104.8	45%	0.453	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.7	-70.4	0	0	0	0	112.2	V499 V500 F506 L507	V499-C503 PolarHBondContact O-N 2.92Å; V499-C503 PolarHBondContact O-SG 2.96Å; V499-C503 VanDerWaalsContact O-SG 3.36Å; V500-C503 PolarHBondContact O-N 3.08Å; C503-F506 PolarHBondContact O-N 3.03Å; C503-L507 WeakPolarHBondContact O-CB 3.43Å; C503-L507 WeakPolarHBondContact O-CG 3.43Å; C503-L507 PolarHBondContact O-N 3.02Å
504	F	87.3	Confident	81	Confident	145 Å²	145	105.3 Å²	105.3	64%	0.636	52%	0.522	S	S	*	.	H	α-helix	trans	-62.8	-44.2	175.6	-95.3	-78.7	0	0	0	112	V500 S501 L502 F506 L507 S508	V500-F504 HydrophobicContact CG1-CD2 3.73Å; V500-F504 HydrophobicContact CG1-CE2 3.84Å; V500-F504 PolarHBondContact O-N 3.5Å; V500-F504 WeakPolarHBondContact O-CD2 3.33Å; S501-F504 PolarHBondContact O-N 2.94Å; L502-F504 PolarHBondContact O-N 3.22Å; F504-F506 VanDerWaalsContact C-N 3.32Å; F504-F506 PolarHBondContact O-N 3.5Å; F504-L507 PolarHBondContact O-N 2.86Å; F504-S508 WeakPolarHBondContact O-CB 3.4Å; F504-S508 PolarHBondContact O-OG 3.39Å; F504-S508 PolarHBondContact O-N 3.47Å
505	K	85.9	Confident	79.6	Confident	143 Å²	143	106.4 Å²	106.4	62%	0.622	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-38.7	175.3	-74.8	179.3	-179.5	-178.6	0	112.2	S501 L502 S508 Y509	S501-K505 WeakPolarHBondContact O-CG 3.34Å; S501-K505 PolarHBondContact O-N 2.94Å; L502-K505 PolarHBondContact O-N 3.33Å; K505-S508 WeakPolarHBondContact CA-OG 3.34Å; K505-S508 PolarHBondContact O-OG 3.46Å; K505-Y509 WeakPolarHBondContact O-CB 3.4Å; K505-Y509 PolarHBondContact O-N 2.95Å
506	F	85.3	Confident	78.1	Confident	131 Å²	131	109.9 Å²	109.9	58%	0.575	55%	0.549	S	S	*	.	H	α-helix	trans	-69.6	-42.8	178.5	-157.9	-99.3	0	0	0	111.8	L502 C503 F504 Y509 F510	L502-F506 WeakPolarHBondContact O-CB 3.37Å; L502-F506 PolarHBondContact O-N 3.28Å; C503-F506 PolarHBondContact O-N 3.03Å; F504-F506 VanDerWaalsContact C-N 3.32Å; F504-F506 PolarHBondContact O-N 3.5Å; F506-Y509 WeakPolarHBondContact O-CB 3.32Å; F506-Y509 PolarHBondContact O-N 3.47Å; F506-F510 PolarHBondContact O-N 3.13Å; F506-F510 HydrophobicContact CZ-CE2 3.66Å; F506-F510 AromaticContact CZ-CE2 3.66Å; F506-F510 HydrophobicContact CZ-CD2 4.39Å; F506-F510 AromaticContact CE1-CD2 3.78Å; F506-F510 HydrophobicContact CE1-CZ 4.38Å; F506-F510 HydrophobicContact CE1-CE2 3.32Å; F506-F510 HydrophobicContact CE1-CD2 3.78Å; F506-F510 HydrophobicContact CD1-CE2 3.97Å; F506-F510 AromaticContact CD1-CE2 3.97Å; F506-F510 HydrophobicContact CD1-CD2 3.94Å; F506-F510 AromaticContact CD1-CD2 3.94Å; F506-F510 AromaticContact CE1-CE2 3.32Å
507	L	82.8	Confident	76.1	Confident	113 Å²	113	119.3 Å²	119.3	59%	0.592	58%	0.584	S	S	*	*	H	α-helix	trans	-66	-37.8	174.8	-75.2	167.7	0	0	0	112.5	C503 F504 Y509 F510 R511	C503-L507 WeakPolarHBondContact O-CB 3.43Å; C503-L507 WeakPolarHBondContact O-CG 3.43Å; C503-L507 PolarHBondContact O-N 3.02Å; F504-L507 PolarHBondContact O-N 2.86Å; L507-Y509 VanDerWaalsContact C-N 3.34Å; L507-F510 PolarHBondContact O-N 3.23Å; L507-R511 PolarHBondContact O-N 2.94Å
508	S	79.6	Confident	75.5	Confident	70 Å²	70	117.5 Å²	117.5	49%	0.49	58%	0.583	S	S	.	*	H	α-helix	trans	-67.7	-36	175.6	66.4	0	0	0	0	111.8	F504 K505 R511 A512	F504-S508 WeakPolarHBondContact O-CB 3.4Å; F504-S508 PolarHBondContact O-OG 3.39Å; F504-S508 PolarHBondContact O-N 3.47Å; K505-S508 WeakPolarHBondContact CA-OG 3.34Å; K505-S508 PolarHBondContact O-OG 3.46Å; S508-R511 PolarHBondContact O-N 3.4Å; S508-A512 WeakPolarHBondContact O-CB 3.43Å; S508-A512 PolarHBondContact O-N 3.07Å
509	Y	80.7	Confident	74.9	Confident	167 Å²	167	116.3 Å²	116.3	66%	0.655	58%	0.581	S	S	*	*	H	α-helix	trans	-63.3	-44.6	173.3	-172.3	-96.1	0	0	0	112.2	K505 F506 L507 A512 S513	K505-Y509 WeakPolarHBondContact O-CB 3.4Å; K505-Y509 PolarHBondContact O-N 2.95Å; F506-Y509 WeakPolarHBondContact O-CB 3.32Å; F506-Y509 PolarHBondContact O-N 3.47Å; L507-Y509 VanDerWaalsContact C-N 3.34Å; Y509-A512 PolarHBondContact O-N 3.34Å; Y509-S513 WeakPolarHBondContact O-CB 3.43Å; Y509-S513 PolarHBondContact O-N 3.32Å
510	F	74.4	Confident	74.3	Confident	124 Å²	124	119.2 Å²	119.2	54%	0.544	59%	0.592	S	S	.	*	H	α-helix	trans	-65.3	-39.6	175.1	-94.9	-86.8	0	0	0	113.1	F506 L507 S513 S514	F506-F510 PolarHBondContact O-N 3.13Å; F506-F510 HydrophobicContact CZ-CE2 3.66Å; F506-F510 AromaticContact CZ-CE2 3.66Å; F506-F510 HydrophobicContact CZ-CD2 4.39Å; F506-F510 AromaticContact CE1-CD2 3.78Å; F506-F510 HydrophobicContact CE1-CZ 4.38Å; F506-F510 HydrophobicContact CE1-CE2 3.32Å; F506-F510 HydrophobicContact CE1-CD2 3.78Å; F506-F510 HydrophobicContact CD1-CE2 3.97Å; F506-F510 AromaticContact CD1-CE2 3.97Å; F506-F510 HydrophobicContact CD1-CD2 3.94Å; F506-F510 AromaticContact CD1-CD2 3.94Å; F506-F510 AromaticContact CE1-CE2 3.32Å; L507-F510 PolarHBondContact O-N 3.23Å; F510-S513 PolarHBondContact O-N 3.4Å; F510-S514 WeakPolarHBondContact O-CB 3.5Å; F510-S514 PolarHBondContact O-N 3.26Å; F510-S514 PolarHBondContact O-OG 2.75Å
511	R	71.7	Confident	73.6	Confident	198 Å²	198	123.5 Å²	123.5	75%	0.747	61%	0.61	S	S	*	*	H	α-helix	trans	-60.1	-49	173.1	-96.9	-177.1	172	176.7	-2.6	111.4	L507 S508 S513 S514 T515	L507-R511 PolarHBondContact O-N 2.94Å; S508-R511 PolarHBondContact O-N 3.4Å; R511-S513 VanDerWaalsContact C-N 3.31Å; R511-S513 PolarHBondContact O-N 2.82Å; R511-S514 PolarHBondContact O-N 3.39Å; R511-S514 PolarHBondContact O-OG 3.49Å; R511-T515 PolarHBondContact O-N 2.95Å; R511-T515 PolarHBondContact O-OG1 3.02Å; R511-T515 VanDerWaalsContact O-OG1 3.04Å
512	A	68.1	Low	72.8	Confident	53 Å²	53	127.8 Å²	127.8	44%	0.438	62%	0.624	S	S	.	*	H	α-helix	trans	-62	-37.4	178.3	0	0	0	0	0	112.6	S508 Y509 T515	S508-A512 WeakPolarHBondContact O-CB 3.43Å; S508-A512 PolarHBondContact O-N 3.07Å; Y509-A512 PolarHBondContact O-N 3.34Å; A512-T515 PolarHBondContact O-OG1 3.12Å
513	S	61.5	Low	71.8	Confident	68 Å²	68	129.5 Å²	129.5	48%	0.476	63%	0.63	S	S	.	*	H	α-helix	trans	-72.5	-28.8	175.9	-177.6	0	0	0	0	113.4	Y509 F510 R511	Y509-S513 WeakPolarHBondContact O-CB 3.43Å; Y509-S513 PolarHBondContact O-N 3.32Å; F510-S513 PolarHBondContact O-N 3.4Å; R511-S513 VanDerWaalsContact C-N 3.31Å; R511-S513 PolarHBondContact O-N 2.82Å
514	S	58.5	Low	70.7	Confident	85 Å²	85	134 Å²	134	59%	0.594	64%	0.643	S	S	*	*	H	α-helix	trans	-79	-21.8	178.2	69.8	0	0	0	0	113.9	F510 R511	F510-S514 WeakPolarHBondContact O-CB 3.5Å; F510-S514 PolarHBondContact O-N 3.26Å; F510-S514 PolarHBondContact O-OG 2.75Å; R511-S514 PolarHBondContact O-N 3.39Å; R511-S514 PolarHBondContact O-OG 3.49Å
515	T	56.7	Low	69.5	Low	113 Å²	113	133.2 Å²	133.2	69%	0.693	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-2.9	174.3	41	0	0	0	0	114.2	R511 A512	R511-T515 PolarHBondContact O-N 2.95Å; R511-T515 PolarHBondContact O-OG1 3.02Å; R511-T515 VanDerWaalsContact O-OG1 3.04Å; A512-T515 PolarHBondContact O-OG1 3.12Å
516	M	54	Low	68.1	Low	159 Å²	159	132.3 Å²	132.3	78%	0.783	65%	0.645	S	S	*	*			trans	-101.8	34.4	174.6	-69.4	-159.4	-63.2	0	0	112.8
517	R	44.1	Very low	66.5	Low	307 Å²	307	132.5 Å²	132.5	100%	1.158	65%	0.652	S	S	*	*			trans	-119.2	0	169.7	-109.7	-171.7	-176.8	-173.4	0.9	111.1

Retrieved 517 of 517 residues in 292.6 ms (Link to these results)

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