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Fatty acyl-CoA reductase 2

Catalyzes the reduction of saturated but not unsaturated C16 or C18 fatty acyl-CoA to fatty alcohols (FAls)¹. A lower activity can be observed with shorter fatty acyl-CoA substrates². Can produce very long-chain and ultra long-chain FAls, regardless of whether they have a straight or branched chain³. Involved in the production of ether lipids/plasmalogens and wax monoesters whose synthesis requires FAls as substrates^4,5.

AlphaFold DB , UniProt , Accession Q96K12, Species HUMAN (Homo sapiens, Human), Gene FAR2, Length 515 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	82.3	Confident	96.1	Very high	204 Å²	204	45.5 Å²	45.5	100%	1.005	29%	0.289	S	S	*	.				0	139.3	0	-175.6	-179.5	-78.9	0	0	107
2	S	95.2	Very high	96.3	Very high	8 Å²	8	41.8 Å²	41.8	6%	0.056	27%	0.266	C	S	.	.			trans	-70.6	131.7	178.4	156.4	0	0	0	0	111.1	I4 A5 A6 D417 F421	S2-I4 PolarHBondContact OG-N 3.37Å; S2-A5 WeakPolarHBondContact OG-CB 3.45Å; S2-A5 PolarHBondContact OG-N 3.07Å; S2-A5 VanDerWaalsContact OG-N 3.08Å; S2-A6 PolarHBondContact O-N 3.01Å; S2-D417 WeakPolarHBondContact CA-OD1 3.18Å; S2-D417 VanDerWaalsContact CB-OD1 3.25Å; S2-D417 WeakPolarHBondContact CB-OD1 3.33Å; S2-D417 PolarHBondContact OG-OD1 3.5Å; S2-F421 VanDerWaalsContact OG-CE2 3.28Å; S2-F421 WeakPolarHBondContact OG-CE2 3.49Å
3	T	96.9	Very high	96.5	Very high	71 Å²	71	38.5 Å²	38.5	44%	0.436	25%	0.245	S	C	.	.	H	α-helix	trans	-71.6	-39.8	179.4	-46.6	0	0	0	0	111	A6 F7 W290 D417	T3-A6 PolarHBondContact O-N 2.64Å; T3-F7 WeakPolarHBondContact O-CB 3.36Å; T3-F7 PolarHBondContact O-N 2.89Å; T3-W290 HydrophobicContact CG2-CZ2 4.31Å; T3-D417 WeakPolarHBondContact CB-OD2 3.15Å; T3-D417 PolarHBondContact N-OD1 2.91Å; T3-D417 PolarHBondContact N-OD2 2.97Å; T3-D417 PolarHBondContact OG1-OD2 2.94Å
4	I	98.1	Very high	96.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-44.8	177.4	-63.9	169.6	0	0	0	110	S2 A6 F7 Y8 L286 A287 W290 L413 D417 F421	S2-I4 PolarHBondContact OG-N 3.37Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-A6 PolarHBondContact O-N 3.43Å; I4-F7 WeakPolarHBondContact O-CB 3.35Å; I4-F7 PolarHBondContact O-N 3.47Å; I4-Y8 HydrophobicContact CG2-CD2 4.19Å; I4-Y8 HydrophobicContact CG2-CE2 3.86Å; I4-Y8 VanDerWaalsContact O-CD2 3.29Å; I4-Y8 WeakPolarHBondContact O-CD2 3.36Å; I4-Y8 PolarHBondContact O-N 3.07Å; I4-L286 HydrophobicContact CG2-CB 4.25Å; I4-A287 HydrophobicContact CD1-CB 3.84Å; I4-W290 HydrophobicContact CG1-CB 4.07Å; I4-W290 HydrophobicContact CG1-CD2 3.92Å; I4-W290 HydrophobicContact CG1-CE3 4.09Å; I4-W290 HydrophobicContact CG1-CG 3.92Å; I4-W290 HydrophobicContact CG2-CB 4.3Å; I4-L413 HydrophobicContact CD1-CD1 4.25Å; I4-L413 HydrophobicContact CD1-CD2 3.8Å; I4-D417 HydrophobicContact CD1-CB 4.05Å; I4-D417 HydrophobicContact CG1-CB 4.48Å; I4-D417 PolarHBondContact N-OD1 3.16Å; I4-D417 VanDerWaalsContact N-OD1 3.11Å; I4-F421 HydrophobicContact CB-CD2 3.77Å; I4-F421 HydrophobicContact CB-CE2 3.55Å; I4-F421 HydrophobicContact CB-CG 4.5Å; I4-F421 HydrophobicContact CB-CZ 4.11Å; I4-F421 HydrophobicContact CD1-CB 4.21Å; I4-F421 HydrophobicContact CD1-CD2 3.8Å; I4-F421 HydrophobicContact CD1-CE2 4.48Å; I4-F421 HydrophobicContact CD1-CG 4.08Å; I4-F421 HydrophobicContact CG1-CD2 4.36Å; I4-F421 HydrophobicContact CG2-CD1 4.27Å; I4-F421 HydrophobicContact CG2-CD2 3.9Å; I4-F421 HydrophobicContact CG2-CE1 4.01Å; I4-F421 HydrophobicContact CG2-CE2 3.61Å; I4-F421 HydrophobicContact CG2-CG 4.22Å; I4-F421 HydrophobicContact CG2-CZ 3.66Å
5	A	97.3	Very high	96.8	Very high	17 Å²	17	33.4 Å²	33.4	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-43.5	178.8	0	0	0	0	0	111.7	S2 S34 F421	S2-A5 WeakPolarHBondContact OG-CB 3.45Å; S2-A5 PolarHBondContact OG-N 3.07Å; S2-A5 VanDerWaalsContact OG-N 3.08Å; A5-S34 WeakPolarHBondContact CA-OG 3.44Å; A5-S34 WeakPolarHBondContact O-CB 3.36Å; A5-S34 PolarHBondContact O-OG 3.21Å; A5-F421 HydrophobicContact CB-CE2 4.21Å; A5-F421 HydrophobicContact CB-CZ 4.23Å
6	A	97.7	Very high	96.8	Very high	56 Å²	56	31.3 Å²	31.3	46%	0.463	20%	0.199	S	C	.	.	H	α-helix	trans	-65.3	-36.8	176.5	0	0	0	0	0	112.5	S2 T3 I4 Y8 G9	S2-A6 PolarHBondContact O-N 3.01Å; T3-A6 PolarHBondContact O-N 2.64Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-A6 PolarHBondContact O-N 3.43Å; A6-Y8 VanDerWaalsContact C-N 3.33Å; A6-Y8 PolarHBondContact O-N 2.99Å; A6-G9 PolarHBondContact O-N 2.97Å
7	F	98.3	Very high	96.7	Very high	25 Å²	25	30.7 Å²	30.7	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-58.8	-40.2	179	163.1	-101.4	0	0	0	113.4	T3 I4 G9 K11 I107 W290 A293 V294	T3-F7 WeakPolarHBondContact O-CB 3.36Å; T3-F7 PolarHBondContact O-N 2.89Å; I4-F7 WeakPolarHBondContact O-CB 3.35Å; I4-F7 PolarHBondContact O-N 3.47Å; F7-G9 PolarHBondContact O-N 3.26Å; F7-K11 VanDerWaalsContact O-CE 3.25Å; F7-K11 WeakPolarHBondContact O-CE 3.34Å; F7-K11 WeakPolarHBondContact O-CG 3.48Å; F7-I107 HydrophobicContact CE1-CD1 4.13Å; F7-I107 HydrophobicContact CE1-CG1 4.47Å; F7-I107 HydrophobicContact CZ-CD1 3.71Å; F7-I107 HydrophobicContact CZ-CG1 4.39Å; F7-W290 HydrophobicContact CB-CG 4.48Å; F7-W290 HydrophobicContact CD1-CB 3.84Å; F7-W290 HydrophobicContact CD1-CG 4.39Å; F7-W290 HydrophobicContact CE1-CB 4.21Å; F7-W290 HydrophobicContact CG-CB 4.28Å; F7-W290 AromaticContact CG-CD1 3.6Å; F7-W290 HydrophobicContact CG-CG 4.35Å; F7-A293 HydrophobicContact CE1-CB 4.35Å; F7-A293 HydrophobicContact CE2-CB 3.62Å; F7-A293 HydrophobicContact CZ-CB 3.31Å; F7-V294 HydrophobicContact CD2-CG2 4.33Å; F7-V294 HydrophobicContact CE2-CG2 4.44Å
8	Y	98.4	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11	177	-72	-70.3	0	0	0	113.5	I4 A6 G10 K11 I13 L30 L37 I107 F109 L286 G289	I4-Y8 HydrophobicContact CG2-CD2 4.19Å; I4-Y8 HydrophobicContact CG2-CE2 3.86Å; I4-Y8 VanDerWaalsContact O-CD2 3.29Å; I4-Y8 WeakPolarHBondContact O-CD2 3.36Å; I4-Y8 PolarHBondContact O-N 3.07Å; A6-Y8 VanDerWaalsContact C-N 3.33Å; A6-Y8 PolarHBondContact O-N 2.99Å; Y8-G10 PolarHBondContact O-N 2.97Å; Y8-K11 PolarHBondContact O-N 3.41Å; Y8-I13 HydrophobicContact CD1-CD1 3.63Å; Y8-I13 HydrophobicContact CD1-CG1 4.45Å; Y8-I13 HydrophobicContact CE1-CD1 4.19Å; Y8-I13 HydrophobicContact CG-CD1 4.48Å; Y8-L30 HydrophobicContact CD1-CD2 3.91Å; Y8-L30 HydrophobicContact CD2-CD2 4.13Å; Y8-L30 HydrophobicContact CE1-CD2 4.25Å; Y8-L30 HydrophobicContact CE2-CD2 4.48Å; Y8-L30 HydrophobicContact CG-CD2 3.85Å; Y8-L37 WeakPolarHBondContact O-CB 3.31Å; Y8-I107 HydrophobicContact CE1-CG1 4.25Å; Y8-I107 HydrophobicContact CE1-CG2 4.4Å; Y8-F109 HydrophobicContact CE1-CE2 4.18Å; Y8-F109 HydrophobicContact CE1-CZ 4.27Å; Y8-F109 WeakPolarHBondContact OH-CZ 3.43Å; Y8-L286 HydrophobicContact CD2-CD2 4.45Å; Y8-L286 HydrophobicContact CE1-CD2 4.42Å; Y8-L286 HydrophobicContact CE2-CB 3.96Å; Y8-L286 HydrophobicContact CE2-CD2 3.76Å; Y8-L286 HydrophobicContact CE2-CG 4.42Å; Y8-L286 PolarHBondContact OH-O 3.24Å; Y8-L286 VanDerWaalsContact OH-O 3.05Å; Y8-G289 WeakPolarHBondContact OH-CA 3.47Å
9	G	96.9	Very high	96.5	Very high	27 Å²	27	29.4 Å²	29.4	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	133.5	172.8	0	0	0	0	0	111.6	A6 F7 K11	A6-G9 PolarHBondContact O-N 2.97Å; F7-G9 PolarHBondContact O-N 3.26Å; G9-K11 PolarHBondContact O-N 3.17Å; G9-K11 VanDerWaalsContact O-N 3.07Å
10	G	97.4	Very high	96.3	Very high	49 Å²	49	29.4 Å²	29.4	51%	0.505	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-1.2	-179.1	0	0	0	0	0	116.1	Y8 D36 K38	Y8-G10 PolarHBondContact O-N 2.97Å; G10-D36 PolarHBondContact N-O 3.47Å; G10-K38 WeakPolarHBondContact O-CB 3.25Å
11	K	98.5	Very high	96.3	Very high	43 Å²	43	29.4 Å²	29.4	19%	0.187	19%	0.193	C	C	.	.			trans	-83.7	147.4	-179.8	-57.1	-62.6	-178.2	173.5	0	112.1	F7 Y8 G9 I13 K38 N106 E146	F7-K11 VanDerWaalsContact O-CE 3.25Å; F7-K11 WeakPolarHBondContact O-CE 3.34Å; F7-K11 WeakPolarHBondContact O-CG 3.48Å; Y8-K11 PolarHBondContact O-N 3.41Å; G9-K11 PolarHBondContact O-N 3.17Å; G9-K11 VanDerWaalsContact O-N 3.07Å; K11-I13 HydrophobicContact CB-CG1 4.5Å; K11-K38 WeakPolarHBondContact O-CB 3.37Å; K11-K38 PolarHBondContact O-N 2.91Å; K11-N106 HydrophobicContact CB-CB 4.17Å; K11-N106 HydrophobicContact CD-CB 3.94Å; K11-E146 IonicContact NZ-OE1 3.81Å; K11-E146 PolarHBondContact NZ-OE1 3.06Å; K11-E146 IonicContact NZ-OE2 3.32Å; K11-E146 PolarHBondContact NZ-OE2 3.33Å
12	S	98.7	Very high	97	Very high	1 Å²	1	21 Å²	21	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126	165.9	-69.9	0	0	0	0	110.2	V39 C104 N106 I107	S12-V39 WeakPolarHBondContact CA-O 3.41Å; S12-V39 VanDerWaalsContact OG-CG1 3.25Å; S12-V39 WeakPolarHBondContact OG-CG1 3.25Å; S12-C104 VanDerWaalsContact CB-O 3.26Å; S12-C104 WeakPolarHBondContact CB-O 3.4Å; S12-N106 PolarHBondContact N-OD1 2.92Å; S12-N106 WeakPolarHBondContact O-CB 3.28Å; S12-N106 PolarHBondContact O-N 2.95Å; S12-I107 PolarHBondContact O-N 3.01Å
13	I	98.8	Very high	97.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.5	-172.1	-54.2	172.8	0	0	0	109.6	Y8 K11 I15 L30 V39 I40 Y41 I107 F109	Y8-I13 HydrophobicContact CD1-CD1 3.63Å; Y8-I13 HydrophobicContact CD1-CG1 4.45Å; Y8-I13 HydrophobicContact CE1-CD1 4.19Å; Y8-I13 HydrophobicContact CG-CD1 4.48Å; K11-I13 HydrophobicContact CB-CG1 4.5Å; I13-I15 HydrophobicContact CG2-CD1 4.43Å; I13-I15 HydrophobicContact CG2-CG1 3.95Å; I13-L30 HydrophobicContact CD1-CD1 3.84Å; I13-L30 HydrophobicContact CD1-CD2 3.68Å; I13-L30 HydrophobicContact CD1-CG 4.37Å; I13-L30 HydrophobicContact CG2-CD1 4.46Å; I13-V39 PolarHBondContact N-O 3.2Å; I13-I40 HydrophobicContact CB-CG1 4.47Å; I13-I40 CarbonylContact O-C 3.49Å; I13-I40 VanDerWaalsContact O-CA 3.3Å; I13-I40 WeakPolarHBondContact O-CA 3.36Å; I13-Y41 PolarHBondContact O-N 3Å; I13-I107 CarbonylContact C-O 3.47Å; I13-I107 WeakPolarHBondContact CA-O 3.45Å; I13-I107 HydrophobicContact CG1-CB 4.4Å; I13-I107 HydrophobicContact CG2-CB 4.4Å; I13-F109 HydrophobicContact CG2-CD2 3.68Å; I13-F109 HydrophobicContact CG2-CE2 3.96Å
14	L	98.7	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.7	171.5	173.8	63.2	0	0	0	110.1	Y41 L43 L101 T105 I107 I108 F109 L135 M138 M142	L14-Y41 WeakPolarHBondContact CA-O 3.26Å; L14-L43 HydrophobicContact CD1-CD1 4.43Å; L14-L43 HydrophobicContact CD1-CD2 3.82Å; L14-L43 HydrophobicContact CD1-CG 3.82Å; L14-L101 HydrophobicContact CD1-CD2 3.91Å; L14-L101 HydrophobicContact CD2-CD2 4.37Å; L14-T105 HydrophobicContact CB-CG2 3.75Å; L14-I107 PolarHBondContact N-O 3.32Å; L14-I108 HydrophobicContact CB-CG1 4.14Å; L14-I108 HydrophobicContact CD2-CD1 4.3Å; L14-I108 HydrophobicContact CD2-CG1 4.17Å; L14-I108 CarbonylContact O-C 3.57Å; L14-I108 WeakPolarHBondContact O-CA 3.32Å; L14-F109 PolarHBondContact O-N 2.92Å; L14-L135 HydrophobicContact CD2-CD1 4.32Å; L14-M138 HydrophobicContact CD2-CE 3.65Å; L14-M142 HydrophobicContact CD2-CE 4.4Å
15	I	98.5	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.5	177.1	-54.6	175.6	0	0	0	109.4	I13 A18 L26 M27 L30 I40 Y41 F109	I13-I15 HydrophobicContact CG2-CD1 4.43Å; I13-I15 HydrophobicContact CG2-CG1 3.95Å; I15-A18 HydrophobicContact CB-CB 4.15Å; I15-A18 HydrophobicContact CG2-CB 3.87Å; I15-L26 HydrophobicContact CD1-CD2 3.73Å; I15-L26 HydrophobicContact CD1-CG 4.09Å; I15-L26 HydrophobicContact CG1-CD2 4.1Å; I15-L26 HydrophobicContact CG2-CD2 4.07Å; I15-M27 HydrophobicContact CD1-CG 3.69Å; I15-L30 HydrophobicContact CD1-CD1 4Å; I15-I40 HydrophobicContact CD1-CD1 4.27Å; I15-I40 HydrophobicContact CD1-CG2 3.58Å; I15-I40 HydrophobicContact CG1-CG2 3.94Å; I15-Y41 PolarHBondContact N-O 2.98Å; I15-F109 WeakPolarHBondContact CA-O 3.23Å; I15-F109 HydrophobicContact CG1-CB 4.34Å; I15-F109 HydrophobicContact CG1-CD2 4.44Å
16	T	97.2	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145.7	165.7	83.1	0	0	0	0	109.4	A18 L43 F109 H110 C111 A112 L135	T16-A18 PolarHBondContact O-N 2.51Å; T16-L43 HydrophobicContact CG2-CD1 3.92Å; T16-L43 HydrophobicContact CG2-CG 4.49Å; T16-F109 PolarHBondContact N-O 3.48Å; T16-H110 WeakPolarHBondContact OG1-CA 3.22Å; T16-H110 PolarHBondContact OG1-CE1 3.28Å; T16-H110 PolarHBondContact OG1-ND1 2.87Å; T16-C111 VanDerWaalsContact O-CB 3.25Å; T16-C111 WeakPolarHBondContact O-CB 3.47Å; T16-C111 PolarHBondContact O-N 3.07Å; T16-C111 PolarHBondContact OG1-N 3.34Å; T16-A112 PolarHBondContact O-N 2.99Å; T16-A112 WeakPolarHBondContact OG1-CB 3.49Å; T16-A112 PolarHBondContact OG1-N 3.33Å; T16-L135 HydrophobicContact CG2-CD1 4.45Å; T16-L135 HydrophobicContact CG2-CD2 3.68Å
17	G	95.1	Very high	97.2	Very high	21 Å²	21	15.7 Å²	15.7	22%	0.216	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	15.2	-178.5	0	0	0	0	0	113.7	T19 G20	G17-T19 PolarHBondContact O-N 2.71Å; G17-G20 PolarHBondContact O-N 3.12Å
18	A	95.6	Very high	97.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-29.6	177.3	0	0	0	0	0	114.1	I15 T16 G20 G23 K24 M27 I42	I15-A18 HydrophobicContact CB-CB 4.15Å; I15-A18 HydrophobicContact CG2-CB 3.87Å; T16-A18 PolarHBondContact O-N 2.51Å; A18-G20 VanDerWaalsContact C-N 3.28Å; A18-G20 PolarHBondContact O-N 3.11Å; A18-G23 CarbonylContact O-C 3.59Å; A18-K24 WeakPolarHBondContact O-CG 3.29Å; A18-K24 PolarHBondContact O-N 2.94Å; A18-M27 HydrophobicContact CB-SD 3.79Å; A18-I42 HydrophobicContact CB-CB 3.68Å; A18-I42 HydrophobicContact CB-CG2 3.4Å
19	T	93	Very high	97.2	Very high	36 Å²	36	14.7 Å²	14.7	22%	0.221	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.3	178.6	70.8	0	0	0	0	113.9	G17 K24 V44 R55 I59	G17-T19 PolarHBondContact O-N 2.71Å; T19-K24 WeakPolarHBondContact O-CE 3.4Å; T19-V44 HydrophobicContact CG2-CG1 4.35Å; T19-V44 HydrophobicContact CG2-CG2 3.93Å; T19-R55 PolarHBondContact OG1-NH2 3.12Å; T19-I59 HydrophobicContact CG2-CD1 3.96Å
20	G	93.6	Very high	97.2	Very high	30 Å²	30	13.4 Å²	13.4	31%	0.309	9%	0.091	S	C	.	.	S	Bend	trans	-89.9	178.7	177	0	0	0	0	0	112.9	G17 A18 G23 K24	G17-G20 PolarHBondContact O-N 3.12Å; A18-G20 VanDerWaalsContact C-N 3.28Å; A18-G20 PolarHBondContact O-N 3.11Å; G20-G23 PolarHBondContact O-N 3.17Å; G20-K24 VanDerWaalsContact O-CG 3.28Å; G20-K24 WeakPolarHBondContact O-CG 3.42Å; G20-K24 PolarHBondContact O-N 3.08Å
21	F	95.4	Very high	97.3	Very high	29 Å²	29	11 Å²	11	13%	0.127	7%	0.067	C	C	.	.	H	α-helix	trans	-57.1	-59.8	-174.6	179.3	-136.5	0	0	0	113.1	G23 K24 V25 V232 G233 W243 V244 D245 N246 V278	F21-G23 PolarHBondContact O-N 3.23Å; F21-K24 PolarHBondContact O-N 3.48Å; F21-V25 PolarHBondContact O-N 3.17Å; F21-V232 HydrophobicContact CD1-CG1 4.36Å; F21-V232 HydrophobicContact CE1-CG1 3.86Å; F21-G233 WeakPolarHBondContact CE1-O 3.39Å; F21-G233 VanDerWaalsContact CZ-O 3.24Å; F21-G233 WeakPolarHBondContact CZ-O 3.29Å; F21-W243 HydrophobicContact CD2-CE3 4.33Å; F21-W243 HydrophobicContact CD2-CH2 4.13Å; F21-W243 AromaticContact CD2-CZ3 3.52Å; F21-W243 HydrophobicContact CD2-CZ3 3.52Å; F21-W243 AromaticContact CE2-CE3 3.73Å; F21-W243 HydrophobicContact CE2-CE3 3.73Å; F21-W243 HydrophobicContact CE2-CH2 4.34Å; F21-W243 AromaticContact CE2-CZ3 3.38Å; F21-W243 HydrophobicContact CE2-CZ3 3.38Å; F21-V244 HydrophobicContact CE2-CG1 4.43Å; F21-V244 HydrophobicContact CZ-CG1 4.1Å; F21-D245 WeakPolarHBondContact CB-OD1 3.46Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.45Å; F21-N246 VanDerWaalsContact CB-ND2 3.27Å; F21-N246 WeakPolarHBondContact CB-ND2 3.43Å; F21-N246 WeakPolarHBondContact CG-ND2 3.44Å; F21-V278 HydrophobicContact CD1-CG2 4.42Å; F21-V278 HydrophobicContact CE1-CB 3.97Å; F21-V278 HydrophobicContact CE1-CG1 4.37Å; F21-V278 HydrophobicContact CE1-CG2 4.01Å; F21-V278 HydrophobicContact CE2-CG1 4.2Å; F21-V278 HydrophobicContact CZ-CB 3.82Å; F21-V278 HydrophobicContact CZ-CG1 3.7Å; F21-V278 HydrophobicContact CZ-CG2 4.06Å
22	L	97.1	Very high	97.2	Very high	27 Å²	27	11 Å²	11	14%	0.141	7%	0.066	C	C	.	.	H	α-helix	trans	-62.8	-42.8	-179.4	-177	64.7	0	0	0	112.1	K24 V25 L26 I151 V278 V281 V282 M285	L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 2.71Å; L22-V25 PolarHBondContact O-N 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 PolarHBondContact O-N 2.92Å; L22-I151 HydrophobicContact CD2-CG1 4.37Å; L22-I151 HydrophobicContact CD2-CG2 3.81Å; L22-V278 HydrophobicContact CD1-CG2 3.73Å; L22-V281 HydrophobicContact CD1-CB 4.29Å; L22-V281 HydrophobicContact CD1-CG1 3.88Å; L22-V282 HydrophobicContact CD1-CG2 3.73Å; L22-M285 HydrophobicContact CD1-SD 3.94Å; L22-M285 HydrophobicContact CD2-CE 4.43Å; L22-M285 HydrophobicContact CD2-SD 3.93Å; L22-M285 HydrophobicContact CG-SD 4.08Å
23	G	97.3	Very high	97.1	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-37.4	-179.1	0	0	0	0	0	113.6	A18 G20 F21 L26 M27	A18-G23 CarbonylContact O-C 3.59Å; G20-G23 PolarHBondContact O-N 3.17Å; F21-G23 PolarHBondContact O-N 3.23Å; G23-L26 PolarHBondContact O-N 3.45Å; G23-M27 WeakPolarHBondContact O-CG 3.36Å; G23-M27 PolarHBondContact O-N 3.39Å
24	K	97.4	Very high	97	Very high	38 Å²	38	12.3 Å²	12.3	17%	0.165	7%	0.074	C	C	.	.	H	α-helix	trans	-66.3	-43.5	175.4	-72.9	176.2	-166	168.9	0	112.4	A18 T19 G20 F21 L22 L26 M27 E28 I59 L64 F65 W243 D245	A18-K24 WeakPolarHBondContact O-CG 3.29Å; A18-K24 PolarHBondContact O-N 2.94Å; T19-K24 WeakPolarHBondContact O-CE 3.4Å; G20-K24 VanDerWaalsContact O-CG 3.28Å; G20-K24 WeakPolarHBondContact O-CG 3.42Å; G20-K24 PolarHBondContact O-N 3.08Å; F21-K24 PolarHBondContact O-N 3.48Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 2.71Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-M27 PolarHBondContact O-N 3.4Å; K24-E28 WeakPolarHBondContact O-CB 3.49Å; K24-E28 PolarHBondContact O-N 2.73Å; K24-I59 HydrophobicContact CG-CG2 4.19Å; K24-L64 HydrophobicContact CB-CD2 3.77Å; K24-F65 HydrophobicContact CB-CE2 4.46Å; K24-W243 HydrophobicContact CB-CH2 4.42Å; K24-W243 HydrophobicContact CD-CH2 4.34Å; K24-D245 IonicContact NZ-OD2 2.85Å; K24-D245 PolarHBondContact NZ-OD2 2.89Å
25	V	98.2	Very high	96.8	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	9%	0.086	C	C	.	.	H	α-helix	trans	-67.7	-37.8	178.8	-173.7	0	0	0	0	110.5	F21 L22 E28 K29 L64 W243 V278 V282	F21-V25 PolarHBondContact O-N 3.17Å; L22-V25 PolarHBondContact O-N 3.24Å; V25-E28 PolarHBondContact O-N 2.85Å; V25-K29 WeakPolarHBondContact O-CB 3.46Å; V25-K29 PolarHBondContact O-N 2.85Å; V25-L64 HydrophobicContact CG2-CD2 4.32Å; V25-W243 HydrophobicContact CG2-CE3 3.88Å; V25-W243 HydrophobicContact CG2-CH2 4.39Å; V25-W243 HydrophobicContact CG2-CZ3 3.41Å; V25-W243 VanDerWaalsContact CG2-CZ3 3.41Å; V25-V278 HydrophobicContact CB-CG2 4.13Å; V25-V278 HydrophobicContact CG1-CG1 4.31Å; V25-V278 HydrophobicContact CG1-CG2 4.39Å; V25-V278 HydrophobicContact CG2-CG1 3.97Å; V25-V278 HydrophobicContact CG2-CG2 3.91Å; V25-V282 HydrophobicContact CB-CG2 3.98Å; V25-V282 HydrophobicContact CG1-CB 4.38Å; V25-V282 HydrophobicContact CG1-CG2 3.85Å
26	L	98.7	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-49.5	172.2	176.4	65.2	0	0	0	111.9	I15 L22 G23 K24 K29 L30 F109 V282 M285 L286	I15-L26 HydrophobicContact CD1-CD2 3.73Å; I15-L26 HydrophobicContact CD1-CG 4.09Å; I15-L26 HydrophobicContact CG1-CD2 4.1Å; I15-L26 HydrophobicContact CG2-CD2 4.07Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 PolarHBondContact O-N 2.92Å; G23-L26 PolarHBondContact O-N 3.45Å; K24-L26 VanDerWaalsContact C-N 3.33Å; L26-K29 PolarHBondContact O-N 2.68Å; L26-L30 HydrophobicContact CD1-CD1 4.09Å; L26-L30 HydrophobicContact CD1-CG 4.35Å; L26-L30 HydrophobicContact CG-CD1 4Å; L26-L30 WeakPolarHBondContact O-CB 3.19Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.21Å; L26-F109 HydrophobicContact CD2-CB 3.68Å; L26-F109 HydrophobicContact CD2-CD1 4.16Å; L26-F109 HydrophobicContact CD2-CD2 3.89Å; L26-F109 HydrophobicContact CD2-CG 3.65Å; L26-V282 HydrophobicContact CB-CG1 4.47Å; L26-V282 HydrophobicContact CB-CG2 4.26Å; L26-V282 HydrophobicContact CD1-CG1 4.13Å; L26-M285 HydrophobicContact CB-CE 4.44Å; L26-M285 HydrophobicContact CD1-CE 4Å; L26-M285 HydrophobicContact CD2-CE 3.63Å; L26-M285 HydrophobicContact CG-CE 4.23Å; L26-L286 HydrophobicContact CD1-CD2 3.64Å; L26-L286 HydrophobicContact CD1-CG 4.09Å
27	M	98	Very high	96.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-45.2	177.3	-75	176.8	63.1	0	0	112	I15 A18 G23 K24 K29 L30 F31 I40 I42 F65 I79	I15-M27 HydrophobicContact CD1-CG 3.69Å; A18-M27 HydrophobicContact CB-SD 3.79Å; G23-M27 WeakPolarHBondContact O-CG 3.36Å; G23-M27 PolarHBondContact O-N 3.39Å; K24-M27 PolarHBondContact O-N 3.4Å; M27-K29 VanDerWaalsContact C-N 3.34Å; M27-K29 PolarHBondContact O-N 3.19Å; M27-L30 PolarHBondContact O-N 3.27Å; M27-F31 HydrophobicContact CE-CE2 4.14Å; M27-F31 WeakPolarHBondContact O-CD2 3.39Å; M27-F31 PolarHBondContact O-N 3.33Å; M27-I40 HydrophobicContact CG-CD1 4.36Å; M27-I40 HydrophobicContact CG-CG2 4.44Å; M27-I42 HydrophobicContact CE-CG2 4.21Å; M27-I42 HydrophobicContact SD-CG2 3.87Å; M27-F65 HydrophobicContact CB-CE1 4.16Å; M27-F65 HydrophobicContact CB-CZ 4Å; M27-I79 HydrophobicContact CE-CD1 3.58Å; M27-I79 HydrophobicContact CE-CG1 4.02Å; M27-I79 HydrophobicContact CE-CG2 4.42Å
28	E	98	Very high	96.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-54.1	-53.4	176.3	-174.4	-70.1	139.4	0	0	110.6	K24 V25 L30 F31 R32 L64 F65 V68 P239	K24-E28 WeakPolarHBondContact O-CB 3.49Å; K24-E28 PolarHBondContact O-N 2.73Å; V25-E28 PolarHBondContact O-N 2.85Å; E28-L30 PolarHBondContact O-N 2.91Å; E28-F31 PolarHBondContact O-N 3.42Å; E28-R32 VanDerWaalsContact O-CB 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.2Å; E28-R32 PolarHBondContact O-N 2.9Å; E28-R32 VanDerWaalsContact OE1-CD 3.22Å; E28-R32 WeakPolarHBondContact OE1-CD 3.48Å; E28-R32 IonicContact OE1-CZ 2.68Å; E28-R32 IonicContact OE1-NE 2.78Å; E28-R32 PolarHBondContact OE1-NE 3.41Å; E28-R32 IonicContact OE1-NH2 3Å; E28-R32 IonicContact OE2-CZ 2.68Å; E28-R32 IonicContact OE2-NE 3.59Å; E28-R32 PolarHBondContact OE2-NE 3.38Å; E28-R32 IonicContact OE2-NH2 3.99Å; E28-R32 PolarHBondContact OE2-NH2 3.46Å; E28-R32 VanDerWaalsContact OE2-NH2 3.17Å; E28-L64 HydrophobicContact CB-CD1 4.35Å; E28-L64 HydrophobicContact CB-CD2 4.11Å; E28-L64 HydrophobicContact CB-CG 3.95Å; E28-L64 HydrophobicContact CG-CD1 4Å; E28-L64 HydrophobicContact CG-CG 3.8Å; E28-L64 VanDerWaalsContact CG-O 3.26Å; E28-L64 WeakPolarHBondContact CG-O 3.37Å; E28-F65 HydrophobicContact CB-CE1 4.29Å; E28-F65 HydrophobicContact CB-CZ 4.35Å; E28-V68 HydrophobicContact CB-CG2 4.39Å; E28-V68 HydrophobicContact CG-CG2 3.79Å; E28-V68 WeakPolarHBondContact O-CG2 3.39Å; E28-P239 HydrophobicContact CG-CG 4.08Å
29	K	98.3	Very high	96.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-47.8	-177.9	-177.9	67.5	177.8	-174.3	0	111.4	V25 L26 M27 F31 R32 T33 E238 V282 N283 L286 V420 F421	V25-K29 WeakPolarHBondContact O-CB 3.46Å; V25-K29 PolarHBondContact O-N 2.85Å; L26-K29 PolarHBondContact O-N 2.68Å; M27-K29 VanDerWaalsContact C-N 3.34Å; M27-K29 PolarHBondContact O-N 3.19Å; K29-F31 PolarHBondContact O-N 2.83Å; K29-R32 PolarHBondContact O-N 3.46Å; K29-T33 HydrophobicContact CD-CG2 3.85Å; K29-T33 VanDerWaalsContact CE-CG2 3.48Å; K29-T33 PolarHBondContact O-N 3.22Å; K29-T33 PolarHBondContact O-OG1 3.42Å; K29-E238 IonicContact NZ-OE1 3.65Å; K29-E238 PolarHBondContact NZ-OE1 3.03Å; K29-E238 IonicContact NZ-OE2 3.39Å; K29-E238 PolarHBondContact NZ-OE2 2.68Å; K29-V282 HydrophobicContact CB-CG1 3.57Å; K29-V282 HydrophobicContact CG-CG1 3.85Å; K29-N283 WeakPolarHBondContact CE-OD1 3.25Å; K29-N283 PolarHBondContact NZ-OD1 3.29Å; K29-L286 HydrophobicContact CB-CD1 4.15Å; K29-L286 HydrophobicContact CG-CD1 3.4Å; K29-L286 VanDerWaalsContact CG-CD1 3.4Å; K29-V420 PolarHBondContact NZ-O 2.72Å; K29-F421 HydrophobicContact CG-CE1 4.49Å
30	L	98.4	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-55	-51.5	177.9	-82.6	167.7	0	0	0	112.1	Y8 I13 I15 L26 M27 E28 R32 S34 L37 I40 L286	Y8-L30 HydrophobicContact CD1-CD2 3.91Å; Y8-L30 HydrophobicContact CD2-CD2 4.13Å; Y8-L30 HydrophobicContact CE1-CD2 4.25Å; Y8-L30 HydrophobicContact CE2-CD2 4.48Å; Y8-L30 HydrophobicContact CG-CD2 3.85Å; I13-L30 HydrophobicContact CD1-CD1 3.84Å; I13-L30 HydrophobicContact CD1-CD2 3.68Å; I13-L30 HydrophobicContact CD1-CG 4.37Å; I13-L30 HydrophobicContact CG2-CD1 4.46Å; I15-L30 HydrophobicContact CD1-CD1 4Å; L26-L30 HydrophobicContact CD1-CD1 4.09Å; L26-L30 HydrophobicContact CD1-CG 4.35Å; L26-L30 HydrophobicContact CG-CD1 4Å; L26-L30 WeakPolarHBondContact O-CB 3.19Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.21Å; M27-L30 PolarHBondContact O-N 3.27Å; E28-L30 PolarHBondContact O-N 2.91Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-R32 PolarHBondContact O-N 3.48Å; L30-S34 CarbonylContact O-C 3.46Å; L30-S34 WeakPolarHBondContact O-CA 3.38Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 3.32Å; L30-L37 HydrophobicContact CB-CD2 4Å; L30-I40 HydrophobicContact CB-CD1 4.09Å; L30-I40 HydrophobicContact CD1-CD1 3.88Å; L30-L286 HydrophobicContact CD1-CD2 4.38Å; L30-L286 HydrophobicContact CD2-CD1 4.4Å; L30-L286 HydrophobicContact CD2-CD2 3.44Å; L30-L286 VanDerWaalsContact CD2-CD2 3.44Å; L30-L286 HydrophobicContact CG-CD1 4.45Å; L30-L286 HydrophobicContact CG-CD2 3.78Å
31	F	97.9	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-33.9	-179.7	-74.3	-60.6	0	0	0	113	M27 E28 K29 L37 I40 V68 V75 K78 I79	M27-F31 HydrophobicContact CE-CE2 4.14Å; M27-F31 WeakPolarHBondContact O-CD2 3.39Å; M27-F31 PolarHBondContact O-N 3.33Å; E28-F31 PolarHBondContact O-N 3.42Å; K29-F31 PolarHBondContact O-N 2.83Å; F31-L37 HydrophobicContact CD1-CD1 4.21Å; F31-L37 HydrophobicContact CD1-CD2 3.75Å; F31-L37 HydrophobicContact CD1-CG 4.12Å; F31-L37 HydrophobicContact CE1-CD1 3.64Å; F31-L37 HydrophobicContact CE1-CD2 3.96Å; F31-L37 HydrophobicContact CE1-CG 4.08Å; F31-L37 HydrophobicContact CG-CD2 4.4Å; F31-L37 HydrophobicContact CZ-CD1 4.4Å; F31-I40 HydrophobicContact CD2-CD1 4.13Å; F31-I40 HydrophobicContact CE1-CD1 4.18Å; F31-I40 HydrophobicContact CE1-CG1 4.25Å; F31-I40 HydrophobicContact CE2-CD1 3.56Å; F31-I40 HydrophobicContact CE2-CG1 4.2Å; F31-I40 HydrophobicContact CZ-CB 4.12Å; F31-I40 HydrophobicContact CZ-CD1 3.58Å; F31-I40 HydrophobicContact CZ-CG1 3.72Å; F31-V68 HydrophobicContact CB-CG1 3.5Å; F31-V68 HydrophobicContact CB-CG2 4.26Å; F31-V68 HydrophobicContact CG-CG1 4.23Å; F31-V75 HydrophobicContact CB-CG2 4.41Å; F31-V75 HydrophobicContact CD1-CG2 3.91Å; F31-V75 HydrophobicContact CD2-CG2 3.63Å; F31-V75 HydrophobicContact CE1-CG2 4.01Å; F31-V75 HydrophobicContact CE2-CG2 3.73Å; F31-V75 HydrophobicContact CG-CG2 3.74Å; F31-V75 HydrophobicContact CZ-CG2 3.94Å; F31-K78 HydrophobicContact CE1-CB 3.64Å; F31-K78 HydrophobicContact CE1-CD 4.36Å; F31-K78 HydrophobicContact CZ-CB 4.16Å; F31-I79 HydrophobicContact CE2-CD1 3.8Å; F31-I79 HydrophobicContact CE2-CG1 3.67Å; F31-I79 HydrophobicContact CZ-CD1 4.12Å; F31-I79 HydrophobicContact CZ-CG1 3.51Å
32	R	97	Very high	97.5	Very high	42 Å²	42	21.4 Å²	21.4	16%	0.158	11%	0.107	C	C	.	.	H	α-helix	trans	-71.9	-38.2	179.1	-179.8	169.5	51.8	85.9	0.3	112.6	E28 K29 L30 V68 E238	E28-R32 VanDerWaalsContact O-CB 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.2Å; E28-R32 PolarHBondContact O-N 2.9Å; E28-R32 VanDerWaalsContact OE1-CD 3.22Å; E28-R32 WeakPolarHBondContact OE1-CD 3.48Å; E28-R32 IonicContact OE1-CZ 2.68Å; E28-R32 IonicContact OE1-NE 2.78Å; E28-R32 PolarHBondContact OE1-NE 3.41Å; E28-R32 IonicContact OE1-NH2 3Å; E28-R32 IonicContact OE2-CZ 2.68Å; E28-R32 IonicContact OE2-NE 3.59Å; E28-R32 PolarHBondContact OE2-NE 3.38Å; E28-R32 IonicContact OE2-NH2 3.99Å; E28-R32 PolarHBondContact OE2-NH2 3.46Å; E28-R32 VanDerWaalsContact OE2-NH2 3.17Å; K29-R32 PolarHBondContact O-N 3.46Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-R32 PolarHBondContact O-N 3.48Å; R32-V68 HydrophobicContact CB-CG2 4.18Å; R32-E238 IonicContact CZ-OE1 3.42Å; R32-E238 IonicContact CZ-OE2 2.85Å; R32-E238 VanDerWaalsContact NH1-CD 3.34Å; R32-E238 IonicContact NH1-OE1 2.65Å; R32-E238 PolarHBondContact NH1-OE1 3.32Å; R32-E238 IonicContact NH1-OE2 3.6Å; R32-E238 VanDerWaalsContact NH2-CD 3.31Å; R32-E238 IonicContact NH2-OE1 3.67Å; R32-E238 IonicContact NH2-OE2 3.62Å; R32-E238 PolarHBondContact NH2-OE2 3.27Å
33	T	97	Very high	97.4	Very high	26 Å²	26	20.7 Å²	20.7	16%	0.16	10%	0.103	C	C	.	.	H	α-helix	trans	-93.5	-27.7	-177.9	58.7	0	0	0	0	114	K29 P35 V420 F421	K29-T33 HydrophobicContact CD-CG2 3.85Å; K29-T33 VanDerWaalsContact CE-CG2 3.48Å; K29-T33 PolarHBondContact O-N 3.22Å; K29-T33 PolarHBondContact O-OG1 3.42Å; T33-P35 VanDerWaalsContact C-CD 3.43Å; T33-P35 WeakPolarHBondContact O-CD 3.46Å; T33-V420 HydrophobicContact CG2-CG1 4.01Å; T33-F421 HydrophobicContact CG2-CE1 4.34Å; T33-F421 HydrophobicContact CG2-CZ 4.17Å
34	S	96.8	Very high	97.1	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.021	10%	0.103	C	C	.	.			trans	-128.2	63.7	-175.3	-56.8	0	0	0	0	110.1	A5 L30 D36 L37	A5-S34 WeakPolarHBondContact CA-OG 3.44Å; A5-S34 WeakPolarHBondContact O-CB 3.36Å; A5-S34 PolarHBondContact O-OG 3.21Å; L30-S34 CarbonylContact O-C 3.46Å; L30-S34 WeakPolarHBondContact O-CA 3.38Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 3.32Å; S34-D36 PolarHBondContact O-N 2.75Å; S34-D36 VanDerWaalsContact O-N 3.07Å; S34-L37 WeakPolarHBondContact O-CB 3.48Å; S34-L37 WeakPolarHBondContact O-CD2 3.47Å; S34-L37 WeakPolarHBondContact O-CG 3.42Å; S34-L37 PolarHBondContact O-N 2.82Å
35	P	94.2	Very high	96.6	Very high	37 Å²	37	23.5 Å²	23.5	24%	0.24	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.8	-178.1	25.7	-35.1	0	0	0	112.5	T33 L37 V71 C72 K78	T33-P35 VanDerWaalsContact C-CD 3.43Å; T33-P35 WeakPolarHBondContact O-CD 3.46Å; P35-L37 VanDerWaalsContact C-N 3.28Å; P35-L37 PolarHBondContact O-N 3.05Å; P35-V71 HydrophobicContact CB-CG1 4.26Å; P35-V71 HydrophobicContact CG-CG1 4.26Å; P35-C72 HydrophobicContact CB-CB 4.36Å; P35-K78 PolarHBondContact O-NZ 3.03Å
36	D	95.4	Very high	95.7	Very high	127 Å²	127	27.1 Å²	27.1	68%	0.679	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	3.1	176.9	-60.9	-35.8	0	0	0	114.3	G10 S34	G10-D36 PolarHBondContact N-O 3.47Å; S34-D36 PolarHBondContact O-N 2.75Å; S34-D36 VanDerWaalsContact O-N 3.07Å
37	L	97.3	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.			trans	-55.8	148.2	170.5	76.7	81.8	0	0	0	110.1	Y8 L30 F31 S34 P35 I40 K78	Y8-L37 WeakPolarHBondContact O-CB 3.31Å; L30-L37 HydrophobicContact CB-CD2 4Å; F31-L37 HydrophobicContact CD1-CD1 4.21Å; F31-L37 HydrophobicContact CD1-CD2 3.75Å; F31-L37 HydrophobicContact CD1-CG 4.12Å; F31-L37 HydrophobicContact CE1-CD1 3.64Å; F31-L37 HydrophobicContact CE1-CD2 3.96Å; F31-L37 HydrophobicContact CE1-CG 4.08Å; F31-L37 HydrophobicContact CG-CD2 4.4Å; F31-L37 HydrophobicContact CZ-CD1 4.4Å; S34-L37 WeakPolarHBondContact O-CB 3.48Å; S34-L37 WeakPolarHBondContact O-CD2 3.47Å; S34-L37 WeakPolarHBondContact O-CG 3.42Å; S34-L37 PolarHBondContact O-N 2.82Å; P35-L37 VanDerWaalsContact C-N 3.28Å; P35-L37 PolarHBondContact O-N 3.05Å; L37-I40 HydrophobicContact CD1-CD1 4.5Å; L37-I40 HydrophobicContact CD1-CG1 3.82Å; L37-I40 HydrophobicContact CD2-CD1 4.11Å; L37-I40 HydrophobicContact CD2-CG1 4.27Å; L37-K78 PolarHBondContact O-NZ 3.25Å
38	K	97.8	Very high	94	Very high	121 Å²	121	38.6 Å²	38.6	53%	0.526	21%	0.206	S	C	.	.			trans	-77.4	-59.4	-172.8	-179.1	177.9	174	-174.6	0	111.5	G10 K11	G10-K38 WeakPolarHBondContact O-CB 3.25Å; K11-K38 WeakPolarHBondContact O-CB 3.37Å; K11-K38 PolarHBondContact O-N 2.91Å
39	V	98.4	Very high	93.3	Very high	16 Å²	16	42.4 Å²	42.4	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	144.1	-178.4	61.2	0	0	0	0	110.4	S12 I13 Y41 K78 R80	S12-V39 WeakPolarHBondContact CA-O 3.41Å; S12-V39 VanDerWaalsContact OG-CG1 3.25Å; S12-V39 WeakPolarHBondContact OG-CG1 3.25Å; I13-V39 PolarHBondContact N-O 3.2Å; V39-Y41 HydrophobicContact CG1-CD2 4.32Å; V39-Y41 HydrophobicContact CG1-CE1 4.29Å; V39-Y41 HydrophobicContact CG1-CE2 3.68Å; V39-Y41 HydrophobicContact CG2-CE1 4.35Å; V39-K78 CarbonylContact C-O 3.52Å; V39-K78 WeakPolarHBondContact CA-O 3.3Å; V39-R80 HydrophobicContact CG2-CB 3.79Å
40	I	98.6	Very high	92.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.4	164.8	-57.8	-170.7	0	0	0	108.7	I13 I15 M27 L30 F31 L37 I42 K78 I79 R80	I13-I40 HydrophobicContact CB-CG1 4.47Å; I13-I40 CarbonylContact O-C 3.49Å; I13-I40 VanDerWaalsContact O-CA 3.3Å; I13-I40 WeakPolarHBondContact O-CA 3.36Å; I15-I40 HydrophobicContact CD1-CD1 4.27Å; I15-I40 HydrophobicContact CD1-CG2 3.58Å; I15-I40 HydrophobicContact CG1-CG2 3.94Å; M27-I40 HydrophobicContact CG-CD1 4.36Å; M27-I40 HydrophobicContact CG-CG2 4.44Å; L30-I40 HydrophobicContact CB-CD1 4.09Å; L30-I40 HydrophobicContact CD1-CD1 3.88Å; F31-I40 HydrophobicContact CD2-CD1 4.13Å; F31-I40 HydrophobicContact CE1-CD1 4.18Å; F31-I40 HydrophobicContact CE1-CG1 4.25Å; F31-I40 HydrophobicContact CE2-CD1 3.56Å; F31-I40 HydrophobicContact CE2-CG1 4.2Å; F31-I40 HydrophobicContact CZ-CB 4.12Å; F31-I40 HydrophobicContact CZ-CD1 3.58Å; F31-I40 HydrophobicContact CZ-CG1 3.72Å; L37-I40 HydrophobicContact CD1-CD1 4.5Å; L37-I40 HydrophobicContact CD1-CG1 3.82Å; L37-I40 HydrophobicContact CD2-CD1 4.11Å; L37-I40 HydrophobicContact CD2-CG1 4.27Å; I40-I42 HydrophobicContact CG2-CG2 3.79Å; I40-K78 PolarHBondContact N-O 2.93Å; I40-I79 WeakPolarHBondContact O-CA 3.43Å; I40-R80 PolarHBondContact O-N 3.38Å
41	Y	98.4	Very high	92.2	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.9	166.6	-60.6	-70.9	0	0	0	109.6	I13 L14 I15 V39 R80 I82 E100 L101 C104	I13-Y41 PolarHBondContact O-N 3Å; L14-Y41 WeakPolarHBondContact CA-O 3.26Å; I15-Y41 PolarHBondContact N-O 2.98Å; V39-Y41 HydrophobicContact CG1-CD2 4.32Å; V39-Y41 HydrophobicContact CG1-CE1 4.29Å; V39-Y41 HydrophobicContact CG1-CE2 3.68Å; V39-Y41 HydrophobicContact CG2-CE1 4.35Å; Y41-R80 WeakPolarHBondContact CA-O 3.16Å; Y41-R80 HydrophobicContact CD1-CB 3.64Å; Y41-R80 HydrophobicContact CD1-CG 3.71Å; Y41-R80 HydrophobicContact CE1-CB 3.89Å; Y41-R80 HydrophobicContact CE1-CG 3.79Å; Y41-I82 HydrophobicContact CD1-CD1 3.71Å; Y41-I82 HydrophobicContact CE1-CD1 4.42Å; Y41-I82 HydrophobicContact CG-CD1 4.4Å; Y41-E100 HydrophobicContact CE1-CG 4.12Å; Y41-E100 WeakPolarHBondContact CE1-OE1 3.24Å; Y41-E100 PolarHBondContact OH-OE1 3.33Å; Y41-L101 HydrophobicContact CD1-CD2 3.96Å; Y41-L101 HydrophobicContact CD2-CD2 3.9Å; Y41-L101 HydrophobicContact CG-CD2 3.59Å; Y41-C104 HydrophobicContact CE2-CB 4.22Å
42	I	97.4	Very high	91.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127	175.9	62.7	171	0	0	0	110.4	A18 M27 I40 V44 V56 I79 R80 A81 I82	A18-I42 HydrophobicContact CB-CB 3.68Å; A18-I42 HydrophobicContact CB-CG2 3.4Å; M27-I42 HydrophobicContact CE-CG2 4.21Å; M27-I42 HydrophobicContact SD-CG2 3.87Å; I40-I42 HydrophobicContact CG2-CG2 3.79Å; I42-V44 HydrophobicContact CB-CG2 4.19Å; I42-V44 HydrophobicContact CD1-CG2 3.77Å; I42-V44 HydrophobicContact CG1-CG2 3.71Å; I42-V56 HydrophobicContact CD1-CG2 3.87Å; I42-I79 HydrophobicContact CD1-CG2 3.68Å; I42-I79 HydrophobicContact CG1-CG2 3.97Å; I42-R80 PolarHBondContact N-O 3.47Å; I42-A81 HydrophobicContact CD1-CB 4.23Å; I42-A81 HydrophobicContact CG1-CB 3.93Å; I42-I82 PolarHBondContact O-N 3.36Å
43	L	95	Very high	91.4	Very high	12 Å²	12	54 Å²	54	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.9	175.3	-61.6	-165.6	0	0	0	109.8	L14 T16 I82 A84 L86 I93 L101	L14-L43 HydrophobicContact CD1-CD1 4.43Å; L14-L43 HydrophobicContact CD1-CD2 3.82Å; L14-L43 HydrophobicContact CD1-CG 3.82Å; T16-L43 HydrophobicContact CG2-CD1 3.92Å; T16-L43 HydrophobicContact CG2-CG 4.49Å; L43-I82 HydrophobicContact CD2-CB 4.18Å; L43-I82 HydrophobicContact CD2-CG2 4.23Å; L43-A84 HydrophobicContact CB-CB 3.89Å; L43-A84 HydrophobicContact CD1-CB 4.15Å; L43-A84 HydrophobicContact CD2-CB 3.98Å; L43-A84 HydrophobicContact CG-CB 4.2Å; L43-L86 HydrophobicContact CD1-CD2 4.37Å; L43-I93 HydrophobicContact CD2-CD1 4.33Å; L43-L101 HydrophobicContact CD2-CD1 4.27Å
44	V	91.8	Very high	91.2	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.9	-168.7	-178.6	0	0	0	0	110.7	T19 I42 L52 R55 A81 I82 Y83 A84	T19-V44 HydrophobicContact CG2-CG1 4.35Å; T19-V44 HydrophobicContact CG2-CG2 3.93Å; I42-V44 HydrophobicContact CB-CG2 4.19Å; I42-V44 HydrophobicContact CD1-CG2 3.77Å; I42-V44 HydrophobicContact CG1-CG2 3.71Å; V44-L52 HydrophobicContact CB-CD2 3.93Å; V44-L52 HydrophobicContact CG1-CD2 3.7Å; V44-R55 HydrophobicContact CG1-CB 4.3Å; V44-A81 HydrophobicContact CG2-CB 4.41Å; V44-I82 PolarHBondContact N-O 3.4Å; V44-Y83 WeakPolarHBondContact O-CA 3.42Å; V44-A84 PolarHBondContact O-N 3.04Å
45	R	87	Confident	90.8	Very high	97 Å²	97	59.1 Å²	59.1	37%	0.366	33%	0.327	S	S	.	.			trans	-93.4	147.1	167.8	-66.5	-172.4	-70.3	-168.6	-0.4	111.8	R55 A84 D85 N87	R45-R55 WeakPolarHBondContact O-CD 3.16Å; R45-R55 PolarHBondContact O-NH1 3.27Å; R45-A84 WeakPolarHBondContact CG-O 3.39Å; R45-D85 WeakPolarHBondContact CD-OD1 3.31Å; R45-D85 HydrophobicContact CG-CB 4.28Å; R45-D85 IonicContact CZ-OD1 3.66Å; R45-D85 IonicContact NE-OD1 3.82Å; R45-D85 IonicContact NH1-OD1 3.72Å; R45-D85 PolarHBondContact NH1-OD1 3.49Å; R45-N87 PolarHBondContact NH1-ND2 3.45Å
46	P	78.3	Confident	90.8	Very high	77 Å²	77	57.6 Å²	57.6	50%	0.5	32%	0.317	S	S	.	.			trans	-57.4	142.5	163.4	-21.9	33.6	0	0	0	110.1	Y83	P46-Y83 HydrophobicContact CG-CD2 3.88Å; P46-Y83 HydrophobicContact CG-CE2 3.62Å
47	K	80.4	Confident	90.6	Very high	140 Å²	140	58.2 Å²	58.2	61%	0.609	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-147.2	132.7	176.2	-171.8	176.1	-178.8	178.8	0	109.4	G49 Q50	K47-G49 PolarHBondContact O-N 3.1Å; K47-Q50 WeakPolarHBondContact O-CB 3.48Å; K47-Q50 PolarHBondContact O-N 2.76Å
48	A	81.6	Confident	90.4	Very high	103 Å²	103	63.6 Å²	63.6	85%	0.851	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.3	176.1	0	0	0	0	0	113.8	Q50	A48-Q50 PolarHBondContact O-N 3.16Å
49	G	82.9	Confident	90.2	Very high	80 Å²	80	58.3 Å²	58.3	83%	0.825	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	1.9	179.7	0	0	0	0	0	115.7	K47	K47-G49 PolarHBondContact O-N 3.1Å
50	Q	85.1	Confident	90.1	Very high	62 Å²	62	58.2 Å²	58.2	29%	0.29	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-77.6	137.4	179.1	-63	178.6	-38.7	0	0	112.1	K47 A48 Q54 R55 Q58	K47-Q50 WeakPolarHBondContact O-CB 3.48Å; K47-Q50 PolarHBondContact O-N 2.76Å; A48-Q50 PolarHBondContact O-N 3.16Å; Q50-Q54 VanDerWaalsContact CA-OE1 3.31Å; Q50-Q54 HydrophobicContact CB-CB 4.35Å; Q50-R55 HydrophobicContact CB-CG 3.99Å; Q50-Q58 VanDerWaalsContact NE2-OE1 3.17Å
51	T	89.1	Confident	89.8	Confident	74 Å²	74	63.2 Å²	63.2	45%	0.454	34%	0.342	S	S	.	.			trans	-71.2	161.5	169.7	72.5	0	0	0	0	111	Q53 Q54 R55	T51-Q53 VanDerWaalsContact C-N 3.26Å; T51-Q53 PolarHBondContact O-N 2.76Å; T51-Q54 PolarHBondContact O-N 3.29Å; T51-Q54 VanDerWaalsContact OG1-CG 3.31Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.38Å; T51-Q54 PolarHBondContact OG1-N 3.47Å; T51-R55 WeakPolarHBondContact O-CG 3.5Å; T51-R55 PolarHBondContact O-N 3Å
52	L	89.7	Confident	89.6	Confident	40 Å²	40	64.5 Å²	64.5	21%	0.209	35%	0.352	C	S	.	.	H	α-helix	trans	-56.9	-42	177.2	-57	-177.8	0	0	0	111.9	V44 R55 V56 A81	V44-L52 HydrophobicContact CB-CD2 3.93Å; V44-L52 HydrophobicContact CG1-CD2 3.7Å; L52-R55 WeakPolarHBondContact O-CB 3.24Å; L52-R55 PolarHBondContact O-N 3.46Å; L52-V56 VanDerWaalsContact O-CG2 3.32Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 3.34Å; L52-A81 HydrophobicContact CB-CB 4.04Å
53	Q	88.2	Confident	89.4	Confident	112 Å²	112	68 Å²	68	52%	0.523	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-40.1	178.9	-66.2	-59.8	-17.1	0	0	112.5	T51 R55 V56 F57	T51-Q53 VanDerWaalsContact C-N 3.26Å; T51-Q53 PolarHBondContact O-N 2.76Å; Q53-R55 VanDerWaalsContact C-N 3.28Å; Q53-R55 PolarHBondContact O-N 3.48Å; Q53-V56 PolarHBondContact O-N 3Å; Q53-F57 WeakPolarHBondContact O-CB 3.42Å; Q53-F57 PolarHBondContact O-N 3.3Å
54	Q	90.9	Very high	89.5	Confident	101 Å²	101	67.4 Å²	67.4	47%	0.472	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-37.3	173.6	-73.4	169.1	-16.1	0	0	111.8	Q50 T51 F57 Q58	Q50-Q54 VanDerWaalsContact CA-OE1 3.31Å; Q50-Q54 HydrophobicContact CB-CB 4.35Å; T51-Q54 PolarHBondContact O-N 3.29Å; T51-Q54 VanDerWaalsContact OG1-CG 3.31Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.38Å; T51-Q54 PolarHBondContact OG1-N 3.47Å; Q54-F57 PolarHBondContact O-N 2.85Å; Q54-Q58 WeakPolarHBondContact O-CB 3.32Å; Q54-Q58 PolarHBondContact O-N 2.78Å
55	R	90.3	Very high	89.7	Confident	35 Å²	35	67.3 Å²	67.3	13%	0.132	36%	0.364	C	S	.	.	H	α-helix	trans	-65.3	-40.3	175.3	-65.7	-163.2	68.4	-158.6	-8.2	111.9	T19 V44 R45 Q50 T51 L52 Q53 I59	T19-R55 PolarHBondContact OG1-NH2 3.12Å; V44-R55 HydrophobicContact CG1-CB 4.3Å; R45-R55 WeakPolarHBondContact O-CD 3.16Å; R45-R55 PolarHBondContact O-NH1 3.27Å; Q50-R55 HydrophobicContact CB-CG 3.99Å; T51-R55 WeakPolarHBondContact O-CG 3.5Å; T51-R55 PolarHBondContact O-N 3Å; L52-R55 WeakPolarHBondContact O-CB 3.24Å; L52-R55 PolarHBondContact O-N 3.46Å; Q53-R55 VanDerWaalsContact C-N 3.28Å; Q53-R55 PolarHBondContact O-N 3.48Å; R55-I59 WeakPolarHBondContact O-CG1 3.37Å; R55-I59 PolarHBondContact O-N 3.37Å
56	V	92.7	Very high	90.1	Very high	6 Å²	6	67.7 Å²	67.7	4%	0.036	37%	0.369	C	S	.	.	H	α-helix	trans	-63.9	-48.7	174.7	178.1	0	0	0	0	110.5	I42 L52 Q53 Q58 I59 L60 I79 A81	I42-V56 HydrophobicContact CD1-CG2 3.87Å; L52-V56 VanDerWaalsContact O-CG2 3.32Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 3.34Å; Q53-V56 PolarHBondContact O-N 3Å; V56-Q58 VanDerWaalsContact C-N 3.3Å; V56-Q58 PolarHBondContact O-N 3.45Å; V56-I59 WeakPolarHBondContact O-CB 3.45Å; V56-I59 PolarHBondContact O-N 3.1Å; V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 HydrophobicContact CG1-CG 4.41Å; V56-L60 PolarHBondContact O-N 3.37Å; V56-I79 HydrophobicContact CG1-CB 4.24Å; V56-I79 HydrophobicContact CG1-CD1 4.24Å; V56-I79 HydrophobicContact CG1-CG2 3.85Å; V56-I79 HydrophobicContact CG2-CG2 4.22Å; V56-A81 HydrophobicContact CG2-CB 3.62Å
57	F	92.6	Very high	90.9	Very high	139 Å²	139	68.7 Å²	68.7	61%	0.61	37%	0.366	S	S	*	.	H	α-helix	trans	-55.7	-45.8	178	-179.3	-94.6	0	0	0	111.5	Q53 Q54 I59 L60 D61	Q53-F57 WeakPolarHBondContact O-CB 3.42Å; Q53-F57 PolarHBondContact O-N 3.3Å; Q54-F57 PolarHBondContact O-N 2.85Å; F57-I59 VanDerWaalsContact C-N 3.27Å; F57-I59 PolarHBondContact O-N 2.98Å; F57-L60 CarbonylContact O-C 3.44Å; F57-L60 PolarHBondContact O-N 2.93Å; F57-D61 HydrophobicContact CE1-CB 4.32Å; F57-D61 WeakPolarHBondContact O-CB 3.44Å; F57-D61 PolarHBondContact O-N 2.86Å
58	Q	92.2	Very high	91.7	Very high	113 Å²	113	62 Å²	62	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-33.6	177.8	-175	178.3	8.4	0	0	113.2	Q50 Q54 V56	Q50-Q58 VanDerWaalsContact NE2-OE1 3.17Å; Q54-Q58 WeakPolarHBondContact O-CB 3.32Å; Q54-Q58 PolarHBondContact O-N 2.78Å; V56-Q58 VanDerWaalsContact C-N 3.3Å; V56-Q58 PolarHBondContact O-N 3.45Å
59	I	93.8	Very high	92.4	Very high	11 Å²	11	61.2 Å²	61.2	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-67.2	-50.3	174.9	-69.2	167.3	0	0	0	109.5	T19 K24 R55 V56 F57 D61 S62 F65	T19-I59 HydrophobicContact CG2-CD1 3.96Å; K24-I59 HydrophobicContact CG-CG2 4.19Å; R55-I59 WeakPolarHBondContact O-CG1 3.37Å; R55-I59 PolarHBondContact O-N 3.37Å; V56-I59 WeakPolarHBondContact O-CB 3.45Å; V56-I59 PolarHBondContact O-N 3.1Å; F57-I59 VanDerWaalsContact C-N 3.27Å; F57-I59 PolarHBondContact O-N 2.98Å; I59-D61 VanDerWaalsContact C-N 3.3Å; I59-D61 PolarHBondContact O-N 3.47Å; I59-S62 VanDerWaalsContact O-CB 3.32Å; I59-S62 WeakPolarHBondContact O-CB 3.28Å; I59-S62 PolarHBondContact O-N 2.73Å; I59-S62 VanDerWaalsContact O-N 3.14Å; I59-S62 PolarHBondContact O-OG 3.38Å; I59-F65 HydrophobicContact CG2-CD2 4.1Å; I59-F65 HydrophobicContact CG2-CE2 3.34Å; I59-F65 HydrophobicContact CG2-CZ 3.63Å; I59-F65 WeakPolarHBondContact O-CD2 3.33Å
60	L	95.3	Very high	93	Very high	13 Å²	13	63.5 Å²	63.5	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-28.3	-179	-66.6	178.9	0	0	0	113.1	V56 F57 S62 F65 K69 V75 H76 I79	V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 HydrophobicContact CG1-CG 4.41Å; V56-L60 PolarHBondContact O-N 3.37Å; F57-L60 CarbonylContact O-C 3.44Å; F57-L60 PolarHBondContact O-N 2.93Å; L60-S62 PolarHBondContact O-N 3.25Å; L60-F65 HydrophobicContact CD2-CB 4.45Å; L60-F65 HydrophobicContact CD2-CD1 3.71Å; L60-F65 HydrophobicContact CD2-CE1 4.13Å; L60-F65 HydrophobicContact CD2-CG 4.08Å; L60-K69 WeakPolarHBondContact O-CE 3.11Å; L60-K69 PolarHBondContact O-NZ 3.4Å; L60-V75 HydrophobicContact CD1-CG1 4.41Å; L60-V75 HydrophobicContact CD2-CG1 4.09Å; L60-V75 HydrophobicContact CD2-CG2 4.08Å; L60-H76 HydrophobicContact CD1-CB 3.96Å; L60-I79 HydrophobicContact CD1-CD1 4.17Å; L60-I79 HydrophobicContact CD2-CD1 3.79Å; L60-I79 HydrophobicContact CG-CD1 4.22Å
61	D	94.1	Very high	93.5	Very high	106 Å²	106	63.5 Å²	63.5	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.7	175.6	-167.9	57	0	0	0	112.9	F57 I59	F57-D61 HydrophobicContact CE1-CB 4.32Å; F57-D61 WeakPolarHBondContact O-CB 3.44Å; F57-D61 PolarHBondContact O-N 2.86Å; I59-D61 VanDerWaalsContact C-N 3.3Å; I59-D61 PolarHBondContact O-N 3.47Å
62	S	93.1	Very high	93.8	Very high	31 Å²	31	60.1 Å²	60.1	22%	0.217	29%	0.287	C	S	.	.	S	Bend	trans	-70.2	149.5	177.6	77.6	0	0	0	0	112.2	I59 L60 L64 F65	I59-S62 VanDerWaalsContact O-CB 3.32Å; I59-S62 WeakPolarHBondContact O-CB 3.28Å; I59-S62 PolarHBondContact O-N 2.73Å; I59-S62 VanDerWaalsContact O-N 3.14Å; I59-S62 PolarHBondContact O-OG 3.38Å; L60-S62 PolarHBondContact O-N 3.25Å; S62-L64 PolarHBondContact O-N 3.05Å; S62-F65 PolarHBondContact O-N 3.02Å
63	K	93.2	Very high	93.9	Very high	73 Å²	73	62.9 Å²	62.9	32%	0.317	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-51.3	-30.3	177.9	-170.8	168.5	-167.4	173.3	0	113.9	F65 E66 F240 Y444	K63-F65 PolarHBondContact O-N 3.25Å; K63-E66 VanDerWaalsContact CE-OE2 3.3Å; K63-E66 WeakPolarHBondContact CE-OE2 3.39Å; K63-E66 HydrophobicContact CG-CG 4.46Å; K63-E66 PolarHBondContact O-N 2.87Å; K63-F240 HydrophobicContact CB-CZ 4.26Å; K63-F240 HydrophobicContact CD-CE1 4.45Å; K63-F240 HydrophobicContact CD-CE2 4.45Å; K63-F240 HydrophobicContact CD-CZ 3.98Å; K63-F240 HydrophobicContact CG-CE1 3.99Å; K63-F240 HydrophobicContact CG-CZ 3.68Å; K63-Y444 HydrophobicContact CD-CE1 3.75Å
64	L	96.3	Very high	94.2	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-55.2	-35.7	179.6	-176.7	69.7	0	0	0	112.2	K24 V25 E28 S62 P239 W243	K24-L64 HydrophobicContact CB-CD2 3.77Å; V25-L64 HydrophobicContact CG2-CD2 4.32Å; E28-L64 HydrophobicContact CB-CD1 4.35Å; E28-L64 HydrophobicContact CB-CD2 4.11Å; E28-L64 HydrophobicContact CB-CG 3.95Å; E28-L64 HydrophobicContact CG-CD1 4Å; E28-L64 HydrophobicContact CG-CG 3.8Å; E28-L64 VanDerWaalsContact CG-O 3.26Å; E28-L64 WeakPolarHBondContact CG-O 3.37Å; S62-L64 PolarHBondContact O-N 3.05Å; L64-P239 HydrophobicContact CD1-CG 3.64Å; L64-W243 HydrophobicContact CB-CD2 4.44Å; L64-W243 HydrophobicContact CB-CZ2 3.86Å; L64-W243 HydrophobicContact CD1-CD2 3.82Å; L64-W243 HydrophobicContact CD1-CE3 3.93Å; L64-W243 HydrophobicContact CD1-CG 4.27Å; L64-W243 HydrophobicContact CD1-CZ2 4.39Å; L64-W243 HydrophobicContact CD1-CZ3 4.27Å; L64-W243 HydrophobicContact CD2-CE3 4.42Å; L64-W243 HydrophobicContact CD2-CH2 3.62Å; L64-W243 HydrophobicContact CD2-CZ2 3.78Å; L64-W243 HydrophobicContact CD2-CZ3 3.95Å; L64-W243 HydrophobicContact CG-CH2 4.44Å; L64-W243 HydrophobicContact CG-CZ2 4.22Å
65	F	96.7	Very high	94.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-96.2	6.8	-175	-71.5	-94.9	0	0	0	114	K24 M27 E28 I59 L60 S62 K63 K67 V68 K69	K24-F65 HydrophobicContact CB-CE2 4.46Å; M27-F65 HydrophobicContact CB-CE1 4.16Å; M27-F65 HydrophobicContact CB-CZ 4Å; E28-F65 HydrophobicContact CB-CE1 4.29Å; E28-F65 HydrophobicContact CB-CZ 4.35Å; I59-F65 HydrophobicContact CG2-CD2 4.1Å; I59-F65 HydrophobicContact CG2-CE2 3.34Å; I59-F65 HydrophobicContact CG2-CZ 3.63Å; I59-F65 WeakPolarHBondContact O-CD2 3.33Å; L60-F65 HydrophobicContact CD2-CB 4.45Å; L60-F65 HydrophobicContact CD2-CD1 3.71Å; L60-F65 HydrophobicContact CD2-CE1 4.13Å; L60-F65 HydrophobicContact CD2-CG 4.08Å; S62-F65 PolarHBondContact O-N 3.02Å; K63-F65 PolarHBondContact O-N 3.25Å; F65-K67 PolarHBondContact O-N 2.97Å; F65-V68 HydrophobicContact CB-CB 4.41Å; F65-V68 HydrophobicContact CD1-CB 4.14Å; F65-V68 HydrophobicContact CD1-CG1 4.21Å; F65-V68 HydrophobicContact CD1-CG2 4.09Å; F65-V68 WeakPolarHBondContact O-CB 3.34Å; F65-V68 PolarHBondContact O-N 3.42Å; F65-K69 WeakPolarHBondContact O-CG 3.36Å; F65-K69 PolarHBondContact O-N 3.42Å
66	E	95.3	Very high	94.6	Very high	104 Å²	104	59.5 Å²	59.5	49%	0.486	30%	0.295	S	S	.	.	H	α-helix	trans	-56.8	-50.6	177.2	-77.2	175.3	-176.1	0	0	111.1	K63 V68 K69 E70	K63-E66 VanDerWaalsContact CE-OE2 3.3Å; K63-E66 WeakPolarHBondContact CE-OE2 3.39Å; K63-E66 HydrophobicContact CG-CG 4.46Å; K63-E66 PolarHBondContact O-N 2.87Å; E66-V68 VanDerWaalsContact C-N 3.29Å; E66-V68 PolarHBondContact O-N 3.44Å; E66-K69 PolarHBondContact O-N 3.28Å; E66-E70 PolarHBondContact O-N 3.41Å
67	K	95.2	Very high	94.7	Very high	99 Å²	99	65.6 Å²	65.6	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-32.8	179.5	-169.8	57.6	177.1	178.6	0	112.8	F65 K69 E70 V71	F65-K67 PolarHBondContact O-N 2.97Å; K67-K69 VanDerWaalsContact C-N 3.34Å; K67-E70 WeakPolarHBondContact CD-OE2 3.43Å; K67-E70 WeakPolarHBondContact CE-OE2 3.45Å; K67-E70 IonicContact NZ-OE2 3.11Å; K67-E70 PolarHBondContact NZ-OE2 2.83Å; K67-E70 WeakPolarHBondContact O-CB 3.36Å; K67-E70 PolarHBondContact O-N 3.21Å; K67-V71 PolarHBondContact O-N 2.94Å
68	V	97.5	Very high	94.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-42	175.5	171.2	0	0	0	0	110.9	E28 F31 R32 F65 E66 E70 V71 C72 V75	E28-V68 HydrophobicContact CB-CG2 4.39Å; E28-V68 HydrophobicContact CG-CG2 3.79Å; E28-V68 WeakPolarHBondContact O-CG2 3.39Å; F31-V68 HydrophobicContact CB-CG1 3.5Å; F31-V68 HydrophobicContact CB-CG2 4.26Å; F31-V68 HydrophobicContact CG-CG1 4.23Å; R32-V68 HydrophobicContact CB-CG2 4.18Å; F65-V68 HydrophobicContact CB-CB 4.41Å; F65-V68 HydrophobicContact CD1-CB 4.14Å; F65-V68 HydrophobicContact CD1-CG1 4.21Å; F65-V68 HydrophobicContact CD1-CG2 4.09Å; F65-V68 WeakPolarHBondContact O-CB 3.34Å; F65-V68 PolarHBondContact O-N 3.42Å; E66-V68 VanDerWaalsContact C-N 3.29Å; E66-V68 PolarHBondContact O-N 3.44Å; V68-E70 PolarHBondContact O-N 3.22Å; V68-V71 PolarHBondContact O-N 2.78Å; V68-C72 CarbonylContact O-C 3.58Å; V68-C72 WeakPolarHBondContact O-CA 3.44Å; V68-C72 PolarHBondContact O-N 3.39Å; V68-V75 HydrophobicContact CG1-CB 4.1Å; V68-V75 HydrophobicContact CG1-CG1 4.37Å; V68-V75 HydrophobicContact CG1-CG2 3.79Å
69	K	96.2	Very high	95.2	Very high	85 Å²	85	55.7 Å²	55.7	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-65.1	-27	178.3	-68.8	172.7	-173.8	171.6	0	113	L60 F65 E66 K67 P73 V75	L60-K69 WeakPolarHBondContact O-CE 3.11Å; L60-K69 PolarHBondContact O-NZ 3.4Å; F65-K69 WeakPolarHBondContact O-CG 3.36Å; F65-K69 PolarHBondContact O-N 3.42Å; E66-K69 PolarHBondContact O-N 3.28Å; K67-K69 VanDerWaalsContact C-N 3.34Å; K69-P73 WeakPolarHBondContact O-CA 3.4Å; K69-V75 HydrophobicContact CG-CG1 4.47Å
70	E	95.7	Very high	95.3	Very high	128 Å²	128	59.9 Å²	59.9	60%	0.598	29%	0.294	S	S	*	.	H	α-helix	trans	-71.5	-40	174	-64	174.7	-166	0	0	112.2	E66 K67 V68	E66-E70 PolarHBondContact O-N 3.41Å; K67-E70 WeakPolarHBondContact CD-OE2 3.43Å; K67-E70 WeakPolarHBondContact CE-OE2 3.45Å; K67-E70 IonicContact NZ-OE2 3.11Å; K67-E70 PolarHBondContact NZ-OE2 2.83Å; K67-E70 WeakPolarHBondContact O-CB 3.36Å; K67-E70 PolarHBondContact O-N 3.21Å; V68-E70 PolarHBondContact O-N 3.22Å
71	V	95.1	Very high	95.3	Very high	63 Å²	63	59.6 Å²	59.6	38%	0.382	29%	0.293	S	S	.	.	H	α-helix	trans	-89.9	-32.1	-174.8	-178.5	0	0	0	0	112.3	P35 K67 V68	P35-V71 HydrophobicContact CB-CG1 4.26Å; P35-V71 HydrophobicContact CG-CG1 4.26Å; K67-V71 PolarHBondContact O-N 2.94Å; V68-V71 PolarHBondContact O-N 2.78Å
72	C	94.7	Very high	95.4	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.02	27%	0.266	C	S	.	.			trans	-132.3	77.8	179	-173.2	0	0	0	0	109.6	P35 V68 N74 V75	P35-C72 HydrophobicContact CB-CB 4.36Å; V68-C72 CarbonylContact O-C 3.58Å; V68-C72 WeakPolarHBondContact O-CA 3.44Å; V68-C72 PolarHBondContact O-N 3.39Å; C72-N74 PolarHBondContact O-N 3.17Å; C72-V75 HydrophobicContact CB-CB 4.42Å; C72-V75 VanDerWaalsContact O-CB 3.31Å; C72-V75 WeakPolarHBondContact O-CB 3.44Å; C72-V75 PolarHBondContact O-N 2.9Å
73	P	93.7	Very high	95.5	Very high	98 Å²	98	57.6 Å²	57.6	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.2	-178	-26.1	35.3	0	0	0	113.8	K69 V75	K69-P73 WeakPolarHBondContact O-CA 3.4Å; P73-V75 VanDerWaalsContact C-N 3.33Å; P73-V75 PolarHBondContact O-N 3.45Å
74	N	93.5	Very high	95.5	Very high	61 Å²	61	54.3 Å²	54.3	33%	0.326	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	21.1	177.6	71	-32.8	0	0	0	114	C72 H76 E77	C72-N74 PolarHBondContact O-N 3.17Å; N74-H76 PolarHBondContact O-N 3.34Å; N74-E77 HydrophobicContact CB-CG 4.4Å; N74-E77 PolarHBondContact ND2-OE2 2.64Å; N74-E77 WeakPolarHBondContact O-CB 3.22Å; N74-E77 PolarHBondContact O-N 2.76Å
75	V	95.8	Very high	95.3	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.024	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-49.8	-33.6	-179.9	60.9	0	0	0	0	113.9	F31 L60 V68 K69 C72 P73 E77 K78 I79	F31-V75 HydrophobicContact CB-CG2 4.41Å; F31-V75 HydrophobicContact CD1-CG2 3.91Å; F31-V75 HydrophobicContact CD2-CG2 3.63Å; F31-V75 HydrophobicContact CE1-CG2 4.01Å; F31-V75 HydrophobicContact CE2-CG2 3.73Å; F31-V75 HydrophobicContact CG-CG2 3.74Å; F31-V75 HydrophobicContact CZ-CG2 3.94Å; L60-V75 HydrophobicContact CD1-CG1 4.41Å; L60-V75 HydrophobicContact CD2-CG1 4.09Å; L60-V75 HydrophobicContact CD2-CG2 4.08Å; V68-V75 HydrophobicContact CG1-CB 4.1Å; V68-V75 HydrophobicContact CG1-CG1 4.37Å; V68-V75 HydrophobicContact CG1-CG2 3.79Å; K69-V75 HydrophobicContact CG-CG1 4.47Å; C72-V75 HydrophobicContact CB-CB 4.42Å; C72-V75 VanDerWaalsContact O-CB 3.31Å; C72-V75 WeakPolarHBondContact O-CB 3.44Å; C72-V75 PolarHBondContact O-N 2.9Å; P73-V75 VanDerWaalsContact C-N 3.33Å; P73-V75 PolarHBondContact O-N 3.45Å; V75-E77 VanDerWaalsContact C-N 3.3Å; V75-E77 PolarHBondContact O-N 3.29Å; V75-K78 PolarHBondContact O-N 2.95Å; V75-K78 VanDerWaalsContact O-N 3.1Å; V75-I79 HydrophobicContact CG2-CD1 4.15Å; V75-I79 PolarHBondContact O-N 3Å
76	H	93.9	Very high	95.1	Very high	111 Å²	111	56.5 Å²	56.5	51%	0.514	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-64.6	-32.1	179.9	64.1	-80.9	0	0	0	113.1	L60 N74 K78	L60-H76 HydrophobicContact CD1-CB 3.96Å; N74-H76 PolarHBondContact O-N 3.34Å; H76-K78 VanDerWaalsContact C-N 3.26Å; H76-K78 PolarHBondContact O-N 2.76Å
77	E	95.2	Very high	94.8	Very high	134 Å²	134	53.8 Å²	53.8	63%	0.626	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-73.2	-23	175.6	-56.8	176.8	169.6	0	0	111.7	N74 V75	N74-E77 HydrophobicContact CB-CG 4.4Å; N74-E77 PolarHBondContact ND2-OE2 2.64Å; N74-E77 WeakPolarHBondContact O-CB 3.22Å; N74-E77 PolarHBondContact O-N 2.76Å; V75-E77 VanDerWaalsContact C-N 3.3Å; V75-E77 PolarHBondContact O-N 3.29Å
78	K	96.8	Very high	94.4	Very high	34 Å²	34	53.9 Å²	53.9	15%	0.148	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-92.6	5.5	-178.6	-58.9	-167.2	173.3	-154.2	0	113.6	F31 P35 L37 V39 I40 V75 H76	F31-K78 HydrophobicContact CE1-CB 3.64Å; F31-K78 HydrophobicContact CE1-CD 4.36Å; F31-K78 HydrophobicContact CZ-CB 4.16Å; P35-K78 PolarHBondContact O-NZ 3.03Å; L37-K78 PolarHBondContact O-NZ 3.25Å; V39-K78 CarbonylContact C-O 3.52Å; V39-K78 WeakPolarHBondContact CA-O 3.3Å; I40-K78 PolarHBondContact N-O 2.93Å; V75-K78 PolarHBondContact O-N 2.95Å; V75-K78 VanDerWaalsContact O-N 3.1Å; H76-K78 VanDerWaalsContact C-N 3.26Å; H76-K78 PolarHBondContact O-N 2.76Å
79	I	97.5	Very high	93.6	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.051	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.4	174.9	-62.9	169	0	0	0	109.1	M27 F31 I40 I42 V56 L60 V75	M27-I79 HydrophobicContact CE-CD1 3.58Å; M27-I79 HydrophobicContact CE-CG1 4.02Å; M27-I79 HydrophobicContact CE-CG2 4.42Å; F31-I79 HydrophobicContact CE2-CD1 3.8Å; F31-I79 HydrophobicContact CE2-CG1 3.67Å; F31-I79 HydrophobicContact CZ-CD1 4.12Å; F31-I79 HydrophobicContact CZ-CG1 3.51Å; I40-I79 WeakPolarHBondContact O-CA 3.43Å; I42-I79 HydrophobicContact CD1-CG2 3.68Å; I42-I79 HydrophobicContact CG1-CG2 3.97Å; V56-I79 HydrophobicContact CG1-CB 4.24Å; V56-I79 HydrophobicContact CG1-CD1 4.24Å; V56-I79 HydrophobicContact CG1-CG2 3.85Å; V56-I79 HydrophobicContact CG2-CG2 4.22Å; L60-I79 HydrophobicContact CD1-CD1 4.17Å; L60-I79 HydrophobicContact CD2-CD1 3.79Å; L60-I79 HydrophobicContact CG-CD1 4.22Å; V75-I79 HydrophobicContact CG2-CD1 4.15Å; V75-I79 PolarHBondContact O-N 3Å
80	R	96.5	Very high	93	Very high	100 Å²	100	61.3 Å²	61.3	38%	0.377	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	104.9	174.1	-176.8	75.4	174.3	139.8	12.7	109.3	V39 I40 Y41 I42 I82 D97 E100	V39-R80 HydrophobicContact CG2-CB 3.79Å; I40-R80 PolarHBondContact O-N 3.38Å; Y41-R80 WeakPolarHBondContact CA-O 3.16Å; Y41-R80 HydrophobicContact CD1-CB 3.64Å; Y41-R80 HydrophobicContact CD1-CG 3.71Å; Y41-R80 HydrophobicContact CE1-CB 3.89Å; Y41-R80 HydrophobicContact CE1-CG 3.79Å; I42-R80 PolarHBondContact N-O 3.47Å; R80-I82 HydrophobicContact CG-CD1 4.47Å; R80-I82 HydrophobicContact CG-CG1 4.24Å; R80-D97 IonicContact CZ-OD1 3.28Å; R80-D97 IonicContact NH2-OD1 2.71Å; R80-D97 PolarHBondContact NH2-OD1 3.46Å; R80-E100 IonicContact NE-OE2 2.9Å
81	A	96.2	Very high	92.8	Very high	6 Å²	6	55.3 Å²	55.3	5%	0.05	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.7	174.4	0	0	0	0	0	111.1	I42 V44 L52 V56	I42-A81 HydrophobicContact CD1-CB 4.23Å; I42-A81 HydrophobicContact CG1-CB 3.93Å; V44-A81 HydrophobicContact CG2-CB 4.41Å; L52-A81 HydrophobicContact CB-CB 4.04Å; V56-A81 HydrophobicContact CG2-CB 3.62Å
82	I	95.9	Very high	92.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.3	179.5	-67.3	169.8	0	0	0	108.5	Y41 I42 L43 V44 R80 A84 I93 D97 L101	Y41-I82 HydrophobicContact CD1-CD1 3.71Å; Y41-I82 HydrophobicContact CE1-CD1 4.42Å; Y41-I82 HydrophobicContact CG-CD1 4.4Å; I42-I82 PolarHBondContact O-N 3.36Å; L43-I82 HydrophobicContact CD2-CB 4.18Å; L43-I82 HydrophobicContact CD2-CG2 4.23Å; V44-I82 PolarHBondContact N-O 3.4Å; R80-I82 HydrophobicContact CG-CD1 4.47Å; R80-I82 HydrophobicContact CG-CG1 4.24Å; I82-A84 PolarHBondContact O-N 3.42Å; I82-I93 HydrophobicContact CG2-CG1 4.31Å; I82-I93 HydrophobicContact CG2-CG2 3.92Å; I82-D97 HydrophobicContact CD1-CB 4.24Å; I82-D97 HydrophobicContact CG1-CB 4.25Å; I82-D97 HydrophobicContact CG2-CB 3.81Å; I82-L101 HydrophobicContact CD1-CD1 3.88Å; I82-L101 HydrophobicContact CD1-CD2 3.63Å; I82-L101 HydrophobicContact CD1-CG 3.65Å
83	Y	94.4	Very high	92.7	Very high	96 Å²	96	55.3 Å²	55.3	38%	0.376	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124.8	172.2	176.4	-90	0	0	0	109.1	V44 P46 A92	V44-Y83 WeakPolarHBondContact O-CA 3.42Å; P46-Y83 HydrophobicContact CG-CD2 3.88Å; P46-Y83 HydrophobicContact CG-CE2 3.62Å; Y83-A92 VanDerWaalsContact CD1-O 3.3Å; Y83-A92 WeakPolarHBondContact CD1-O 3.3Å; Y83-A92 HydrophobicContact CE1-CB 3.86Å; Y83-A92 WeakPolarHBondContact CE1-O 3.48Å
84	A	94	Very high	92.8	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.025	27%	0.265	C	S	.	.			trans	-154.7	133	174.5	0	0	0	0	0	111.1	L43 V44 R45 I82 F91 I93	L43-A84 HydrophobicContact CB-CB 3.89Å; L43-A84 HydrophobicContact CD1-CB 4.15Å; L43-A84 HydrophobicContact CD2-CB 3.98Å; L43-A84 HydrophobicContact CG-CB 4.2Å; V44-A84 PolarHBondContact O-N 3.04Å; R45-A84 WeakPolarHBondContact CG-O 3.39Å; I82-A84 PolarHBondContact O-N 3.42Å; A84-F91 CarbonylContact C-O 3.48Å; A84-F91 WeakPolarHBondContact CA-O 3.36Å; A84-F91 HydrophobicContact CB-CB 4.19Å; A84-I93 HydrophobicContact CB-CD1 4.13Å; A84-I93 HydrophobicContact CB-CG1 3.74Å
85	D	92.3	Very high	92.9	Very high	27 Å²	27	58.4 Å²	58.4	14%	0.144	29%	0.287	C	S	.	.			trans	-114.2	106.6	169.1	-170.2	2.7	0	0	0	111.5	R45 N87 Q88 F91	R45-D85 WeakPolarHBondContact CD-OD1 3.31Å; R45-D85 HydrophobicContact CG-CB 4.28Å; R45-D85 IonicContact CZ-OD1 3.66Å; R45-D85 IonicContact NE-OD1 3.82Å; R45-D85 IonicContact NH1-OD1 3.72Å; R45-D85 PolarHBondContact NH1-OD1 3.49Å; D85-N87 PolarHBondContact O-N 2.97Å; D85-N87 WeakPolarHBondContact OD1-CB 3.45Å; D85-N87 PolarHBondContact OD1-N 2.93Å; D85-Q88 HydrophobicContact CB-CB 4.48Å; D85-Q88 HydrophobicContact CB-CG 3.98Å; D85-Q88 PolarHBondContact O-N 3.47Å; D85-F91 PolarHBondContact N-O 3.37Å; D85-F91 CarbonylContact O-C 3.09Å; D85-F91 VanDerWaalsContact O-CA 3.31Å; D85-F91 WeakPolarHBondContact O-CA 3.44Å
86	L	91.2	Very high	93	Very high	20 Å²	20	64.9 Å²	64.9	11%	0.105	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-7.9	178.4	-58.5	-177.1	0	0	0	114.1	L43 F91 A112 Q126 L127 A131	L43-L86 HydrophobicContact CD1-CD2 4.37Å; L86-F91 HydrophobicContact CD2-CB 4.44Å; L86-F91 HydrophobicContact CD2-CD1 3.49Å; L86-F91 VanDerWaalsContact CD2-CD1 3.49Å; L86-F91 HydrophobicContact CD2-CD2 4.22Å; L86-F91 HydrophobicContact CD2-CE1 3.61Å; L86-F91 HydrophobicContact CD2-CE2 4.33Å; L86-F91 HydrophobicContact CD2-CG 3.8Å; L86-F91 HydrophobicContact CD2-CZ 4.03Å; L86-A112 HydrophobicContact CD1-CB 3.46Å; L86-A112 VanDerWaalsContact CD1-CB 3.46Å; L86-Q126 PolarHBondContact O-NE2 3.39Å; L86-L127 HydrophobicContact CB-CD2 3.76Å; L86-A131 HydrophobicContact CB-CB 3.93Å
87	N	89.2	Confident	93.1	Very high	47 Å²	47	60.8 Å²	60.8	25%	0.251	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.8	171.5	-69.2	-32.9	0	0	0	113.7	R45 D85 Q126 L127	R45-N87 PolarHBondContact NH1-ND2 3.45Å; D85-N87 PolarHBondContact O-N 2.97Å; D85-N87 WeakPolarHBondContact OD1-CB 3.45Å; D85-N87 PolarHBondContact OD1-N 2.93Å; N87-Q126 HydrophobicContact CB-CG 4.47Å; N87-L127 WeakPolarHBondContact OD1-CD2 3.37Å; N87-L127 WeakPolarHBondContact OD1-CG 3.24Å
88	Q	87.9	Confident	93.2	Very high	102 Å²	102	56.3 Å²	56.3	48%	0.477	28%	0.278	S	S	.	.	S	Bend	trans	-106.8	154.5	-178.3	-62.8	-66.8	-41.7	0	0	110.8	D85 F91 A92	D85-Q88 HydrophobicContact CB-CB 4.48Å; D85-Q88 HydrophobicContact CB-CG 3.98Å; D85-Q88 PolarHBondContact O-N 3.47Å; Q88-F91 PolarHBondContact O-N 3.04Å; Q88-A92 HydrophobicContact CB-CB 4.17Å; Q88-A92 HydrophobicContact CG-CB 4.4Å
89	N	80.6	Confident	93.3	Very high	121 Å²	121	60 Å²	60	65%	0.647	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-60.8	139.9	167.7	-67.9	-23.2	0	0	0	110.1	F91 A92 Q134	N89-F91 PolarHBondContact O-N 3.1Å; N89-A92 PolarHBondContact O-N 3.25Å; N89-Q134 PolarHBondContact OD1-NE2 2.85Å
90	D	82.1	Confident	93.3	Very high	119 Å²	119	62.2 Å²	62.2	64%	0.636	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	53.5	19.7	-174.7	-53.7	-36.2	0	0	0	114.9	A92 I93	D90-A92 PolarHBondContact O-N 2.83Å; D90-I93 PolarHBondContact O-N 3.46Å
91	F	93.2	Very high	93.4	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.013	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	57.9	12.3	-177.8	-47.6	-41	0	0	0	115.5	A84 D85 L86 Q88 N89 I93 A131 Q134 L135 M138	A84-F91 CarbonylContact C-O 3.48Å; A84-F91 WeakPolarHBondContact CA-O 3.36Å; A84-F91 HydrophobicContact CB-CB 4.19Å; D85-F91 PolarHBondContact N-O 3.37Å; D85-F91 CarbonylContact O-C 3.09Å; D85-F91 VanDerWaalsContact O-CA 3.31Å; D85-F91 WeakPolarHBondContact O-CA 3.44Å; L86-F91 HydrophobicContact CD2-CB 4.44Å; L86-F91 HydrophobicContact CD2-CD1 3.49Å; L86-F91 VanDerWaalsContact CD2-CD1 3.49Å; L86-F91 HydrophobicContact CD2-CD2 4.22Å; L86-F91 HydrophobicContact CD2-CE1 3.61Å; L86-F91 HydrophobicContact CD2-CE2 4.33Å; L86-F91 HydrophobicContact CD2-CG 3.8Å; L86-F91 HydrophobicContact CD2-CZ 4.03Å; Q88-F91 PolarHBondContact O-N 3.04Å; N89-F91 PolarHBondContact O-N 3.1Å; F91-I93 HydrophobicContact CB-CD1 3.81Å; F91-I93 HydrophobicContact CB-CG1 3.89Å; F91-I93 HydrophobicContact CD2-CD1 3.94Å; F91-I93 HydrophobicContact CG-CD1 4.39Å; F91-I93 PolarHBondContact O-N 3.23Å; F91-I93 VanDerWaalsContact O-N 3.14Å; F91-A131 HydrophobicContact CE1-CB 4Å; F91-A131 WeakPolarHBondContact CZ-O 3.42Å; F91-Q134 HydrophobicContact CE1-CB 3.69Å; F91-Q134 VanDerWaalsContact CE1-OE1 3.3Å; F91-Q134 HydrophobicContact CE2-CB 4.39Å; F91-Q134 HydrophobicContact CZ-CB 3.5Å; F91-L135 HydrophobicContact CE2-CB 4.13Å; F91-L135 HydrophobicContact CE2-CD1 3.88Å; F91-L135 HydrophobicContact CZ-CB 3.93Å; F91-L135 HydrophobicContact CZ-CD1 4.47Å; F91-M138 HydrophobicContact CD2-SD 4.35Å; F91-M138 HydrophobicContact CE2-SD 4.27Å
92	A	92.7	Very high	93.5	Very high	45 Å²	45	58.4 Å²	58.4	37%	0.372	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	51.8	29.6	-173.2	0	0	0	0	0	114	Y83 Q88 N89 D90	Y83-A92 VanDerWaalsContact CD1-O 3.3Å; Y83-A92 WeakPolarHBondContact CD1-O 3.3Å; Y83-A92 HydrophobicContact CE1-CB 3.86Å; Y83-A92 WeakPolarHBondContact CE1-O 3.48Å; Q88-A92 HydrophobicContact CB-CB 4.17Å; Q88-A92 HydrophobicContact CG-CB 4.4Å; N89-A92 PolarHBondContact O-N 3.25Å; D90-A92 PolarHBondContact O-N 2.83Å
93	I	95.1	Very high	93.6	Very high	20 Å²	20	60.1 Å²	60.1	10%	0.103	31%	0.305	C	S	.	.			trans	-73.3	141.3	174.7	-64.4	166.6	0	0	0	108.6	L43 I82 A84 D90 F91 D97 M98 L101	L43-I93 HydrophobicContact CD2-CD1 4.33Å; I82-I93 HydrophobicContact CG2-CG1 4.31Å; I82-I93 HydrophobicContact CG2-CG2 3.92Å; A84-I93 HydrophobicContact CB-CD1 4.13Å; A84-I93 HydrophobicContact CB-CG1 3.74Å; D90-I93 PolarHBondContact O-N 3.46Å; F91-I93 HydrophobicContact CB-CD1 3.81Å; F91-I93 HydrophobicContact CB-CG1 3.89Å; F91-I93 HydrophobicContact CD2-CD1 3.94Å; F91-I93 HydrophobicContact CG-CD1 4.39Å; F91-I93 PolarHBondContact O-N 3.23Å; F91-I93 VanDerWaalsContact O-N 3.14Å; I93-D97 HydrophobicContact CG2-CB 3.79Å; I93-M98 HydrophobicContact CB-CE 4.11Å; I93-M98 HydrophobicContact CD1-CE 4.14Å; I93-M98 HydrophobicContact CG2-CB 4.01Å; I93-M98 HydrophobicContact CG2-CE 4.46Å; I93-L101 HydrophobicContact CD1-CD1 4.05Å; I93-L101 HydrophobicContact CG2-CD1 4.46Å
94	S	95.1	Very high	93.8	Very high	42 Å²	42	56.7 Å²	56.7	29%	0.294	29%	0.294	S	S	.	.			trans	-61.8	155.8	175.5	73.3	0	0	0	0	111.1	E96 D97 M98	S94-E96 PolarHBondContact O-N 2.9Å; S94-D97 PolarHBondContact O-N 2.72Å; S94-D97 VanDerWaalsContact OG-CB 3.23Å; S94-D97 WeakPolarHBondContact OG-CB 3.3Å; S94-D97 PolarHBondContact OG-N 2.92Å; S94-D97 PolarHBondContact OG-OD2 3.43Å; S94-M98 WeakPolarHBondContact O-CB 3.5Å; S94-M98 PolarHBondContact O-N 3.44Å
95	K	95.7	Very high	94	Very high	183 Å²	183	56.5 Å²	56.5	80%	0.796	29%	0.293	S	S	*	.	H	α-helix	trans	-62.6	-36.7	179.5	-70.9	-176.5	178.6	179.6	0	111.4	Q99	K95-Q99 PolarHBondContact O-N 3.07Å
96	E	97.3	Very high	94.3	Very high	140 Å²	140	56.2 Å²	56.2	65%	0.654	29%	0.291	S	S	*	.	H	α-helix	trans	-67	-51	179.8	-61.3	70.3	-152.6	0	0	110.9	S94 M98 Q99 E100	S94-E96 PolarHBondContact O-N 2.9Å; E96-M98 VanDerWaalsContact C-N 3.32Å; E96-M98 PolarHBondContact O-N 2.75Å; E96-Q99 PolarHBondContact O-N 2.74Å; E96-E100 PolarHBondContact O-N 2.8Å
97	D	96.8	Very high	94.7	Very high	25 Å²	25	55.2 Å²	55.2	13%	0.134	29%	0.286	C	S	.	.	H	α-helix	trans	-66.9	-35.4	178.1	-65.6	-47.5	0	0	0	111.2	R80 I82 I93 S94 E100 L101	R80-D97 IonicContact CZ-OD1 3.28Å; R80-D97 IonicContact NH2-OD1 2.71Å; R80-D97 PolarHBondContact NH2-OD1 3.46Å; I82-D97 HydrophobicContact CD1-CB 4.24Å; I82-D97 HydrophobicContact CG1-CB 4.25Å; I82-D97 HydrophobicContact CG2-CB 3.81Å; I93-D97 HydrophobicContact CG2-CB 3.79Å; S94-D97 PolarHBondContact O-N 2.72Å; S94-D97 VanDerWaalsContact OG-CB 3.23Å; S94-D97 WeakPolarHBondContact OG-CB 3.3Å; S94-D97 PolarHBondContact OG-N 2.92Å; S94-D97 PolarHBondContact OG-OD2 3.43Å; D97-E100 PolarHBondContact O-N 3.4Å; D97-L101 WeakPolarHBondContact O-CG 3.25Å; D97-L101 PolarHBondContact O-N 2.93Å
98	M	97.4	Very high	95.1	Very high	39 Å²	39	53 Å²	53	19%	0.192	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-46.8	175.2	-179	62	79.3	0	0	110.4	I93 S94 E96 E100 L101 L102 M138	I93-M98 HydrophobicContact CB-CE 4.11Å; I93-M98 HydrophobicContact CD1-CE 4.14Å; I93-M98 HydrophobicContact CG2-CB 4.01Å; I93-M98 HydrophobicContact CG2-CE 4.46Å; S94-M98 WeakPolarHBondContact O-CB 3.5Å; S94-M98 PolarHBondContact O-N 3.44Å; E96-M98 VanDerWaalsContact C-N 3.32Å; E96-M98 PolarHBondContact O-N 2.75Å; M98-E100 VanDerWaalsContact C-N 3.35Å; M98-E100 PolarHBondContact O-N 3.02Å; M98-L101 PolarHBondContact O-N 2.94Å; M98-L102 HydrophobicContact CG-CD1 4.11Å; M98-L102 HydrophobicContact CG-CG 4.39Å; M98-L102 WeakPolarHBondContact O-CB 3.36Å; M98-L102 VanDerWaalsContact O-CG 3.27Å; M98-L102 WeakPolarHBondContact O-CG 2.95Å; M98-L102 PolarHBondContact O-N 2.93Å; M98-L102 HydrophobicContact SD-CD1 4.42Å; M98-L102 HydrophobicContact SD-CG 4.25Å; M98-M138 HydrophobicContact CE-SD 4.01Å; M98-M138 HydrophobicContact SD-CG 3.9Å; M98-M138 HydrophobicContact SD-SD 3.73Å
99	Q	97.9	Very high	95.6	Very high	112 Å²	112	48.1 Å²	48.1	52%	0.523	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-36.1	177.4	171	47.2	-16.2	0	0	112.5	K95 E96 L101 L102 S103	K95-Q99 PolarHBondContact O-N 3.07Å; E96-Q99 PolarHBondContact O-N 2.74Å; Q99-L101 PolarHBondContact O-N 3.4Å; Q99-L102 PolarHBondContact O-N 3.28Å; Q99-S103 VanDerWaalsContact O-CB 3.31Å; Q99-S103 WeakPolarHBondContact O-CB 3.38Å; Q99-S103 PolarHBondContact O-N 3.31Å; Q99-S103 PolarHBondContact O-OG 3.45Å
100	E	98.1	Very high	96.5	Very high	57 Å²	57	42.4 Å²	42.4	27%	0.266	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-49.3	172.2	-170.5	-178.1	171.3	0	0	111.1	Y41 R80 E96 D97 M98 L102 S103 C104	Y41-E100 HydrophobicContact CE1-CG 4.12Å; Y41-E100 WeakPolarHBondContact CE1-OE1 3.24Å; Y41-E100 PolarHBondContact OH-OE1 3.33Å; R80-E100 IonicContact NE-OE2 2.9Å; E96-E100 PolarHBondContact O-N 2.8Å; D97-E100 PolarHBondContact O-N 3.4Å; M98-E100 VanDerWaalsContact C-N 3.35Å; M98-E100 PolarHBondContact O-N 3.02Å; E100-L102 PolarHBondContact O-N 3.04Å; E100-S103 PolarHBondContact O-N 2.87Å; E100-S103 PolarHBondContact O-OG 3.04Å; E100-C104 VanDerWaalsContact O-CB 3.24Å; E100-C104 WeakPolarHBondContact O-CB 3.34Å; E100-C104 PolarHBondContact O-N 3.21Å
101	L	98.2	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-46.2	178.2	-73.3	175.5	0	0	0	112.3	L14 Y41 L43 I82 I93 D97 M98 Q99 T105	L14-L101 HydrophobicContact CD1-CD2 3.91Å; L14-L101 HydrophobicContact CD2-CD2 4.37Å; Y41-L101 HydrophobicContact CD1-CD2 3.96Å; Y41-L101 HydrophobicContact CD2-CD2 3.9Å; Y41-L101 HydrophobicContact CG-CD2 3.59Å; L43-L101 HydrophobicContact CD2-CD1 4.27Å; I82-L101 HydrophobicContact CD1-CD1 3.88Å; I82-L101 HydrophobicContact CD1-CD2 3.63Å; I82-L101 HydrophobicContact CD1-CG 3.65Å; I93-L101 HydrophobicContact CD1-CD1 4.05Å; I93-L101 HydrophobicContact CG2-CD1 4.46Å; D97-L101 WeakPolarHBondContact O-CG 3.25Å; D97-L101 PolarHBondContact O-N 2.93Å; M98-L101 PolarHBondContact O-N 2.94Å; Q99-L101 PolarHBondContact O-N 3.4Å; L101-T105 VanDerWaalsContact O-CB 3.25Å; L101-T105 WeakPolarHBondContact O-CB 3.27Å; L101-T105 PolarHBondContact O-N 3.39Å; L101-T105 PolarHBondContact O-OG1 3.04Å
102	L	98.1	Very high	97.2	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.131	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-45.3	-179.7	-70.4	179.4	0	0	0	111.5	M98 Q99 E100 M138 Q141 M142 P143	M98-L102 HydrophobicContact CG-CD1 4.11Å; M98-L102 HydrophobicContact CG-CG 4.39Å; M98-L102 WeakPolarHBondContact O-CB 3.36Å; M98-L102 VanDerWaalsContact O-CG 3.27Å; M98-L102 WeakPolarHBondContact O-CG 2.95Å; M98-L102 PolarHBondContact O-N 2.93Å; M98-L102 HydrophobicContact SD-CD1 4.42Å; M98-L102 HydrophobicContact SD-CG 4.25Å; Q99-L102 PolarHBondContact O-N 3.28Å; E100-L102 PolarHBondContact O-N 3.04Å; L102-M138 HydrophobicContact CD2-CG 3.93Å; L102-M138 WeakPolarHBondContact CD2-O 3.41Å; L102-Q141 HydrophobicContact CD2-CB 3.78Å; L102-M142 HydrophobicContact CD2-CE 4.35Å; L102-M142 HydrophobicContact CD2-CG 4Å; L102-M142 WeakPolarHBondContact O-CA 3.49Å; L102-P143 WeakPolarHBondContact O-CD 3.46Å
103	S	98.2	Very high	97.1	Very high	37 Å²	37	38.3 Å²	38.3	26%	0.259	20%	0.202	S	C	.	.	H	α-helix	trans	-80.9	-22.1	-173.8	63.1	0	0	0	0	115.2	Q99 E100 K144	Q99-S103 VanDerWaalsContact O-CB 3.31Å; Q99-S103 WeakPolarHBondContact O-CB 3.38Å; Q99-S103 PolarHBondContact O-N 3.31Å; Q99-S103 PolarHBondContact O-OG 3.45Å; E100-S103 PolarHBondContact O-N 2.87Å; E100-S103 PolarHBondContact O-OG 3.04Å; S103-K144 WeakPolarHBondContact O-CD 3.21Å; S103-K144 WeakPolarHBondContact O-CE 3.36Å; S103-K144 PolarHBondContact O-NZ 2.92Å
104	C	98.2	Very high	96.8	Very high	23 Å²	23	37.9 Å²	37.9	16%	0.155	20%	0.201	C	C	.	.	H	α-helix	trans	-112.4	-29.1	-169.7	-65	0	0	0	0	114.9	S12 Y41 E100 N106	S12-C104 VanDerWaalsContact CB-O 3.26Å; S12-C104 WeakPolarHBondContact CB-O 3.4Å; Y41-C104 HydrophobicContact CE2-CB 4.22Å; E100-C104 VanDerWaalsContact O-CB 3.24Å; E100-C104 WeakPolarHBondContact O-CB 3.34Å; E100-C104 PolarHBondContact O-N 3.21Å; C104-N106 PolarHBondContact O-N 3.44Å; C104-N106 PolarHBondContact O-OD1 3.33Å
105	T	98.7	Very high	96.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.			trans	-67.1	126.4	-169.4	-57.4	0	0	0	0	112.6	L14 L101 I108 M142 K144 L145	L14-T105 HydrophobicContact CB-CG2 3.75Å; L101-T105 VanDerWaalsContact O-CB 3.25Å; L101-T105 WeakPolarHBondContact O-CB 3.27Å; L101-T105 PolarHBondContact O-N 3.39Å; L101-T105 PolarHBondContact O-OG1 3.04Å; T105-I108 HydrophobicContact CG2-CD1 4.49Å; T105-I108 HydrophobicContact CG2-CG1 3.8Å; T105-M142 HydrophobicContact CG2-CE 4.47Å; T105-M142 HydrophobicContact CG2-SD 3.88Å; T105-K144 CarbonylContact O-C 3.54Å; T105-L145 HydrophobicContact CG2-CD1 4.44Å; T105-L145 PolarHBondContact O-N 2.72Å
106	N	98.8	Very high	95.9	Very high	20 Å²	20	36.9 Å²	36.9	11%	0.107	19%	0.193	C	C	.	.			trans	-98.2	-37.4	174.1	-62.6	103.5	0	0	0	112.6	K11 S12 C104 K144 E146	K11-N106 HydrophobicContact CB-CB 4.17Å; K11-N106 HydrophobicContact CD-CB 3.94Å; S12-N106 PolarHBondContact N-OD1 2.92Å; S12-N106 WeakPolarHBondContact O-CB 3.28Å; S12-N106 PolarHBondContact O-N 2.95Å; C104-N106 PolarHBondContact O-N 3.44Å; C104-N106 PolarHBondContact O-OD1 3.33Å; N106-K144 WeakPolarHBondContact CA-O 3.33Å; N106-K144 PolarHBondContact ND2-O 2.87Å; N106-E146 PolarHBondContact ND2-OE1 3.19Å; N106-E146 PolarHBondContact O-N 2.97Å
107	I	98.8	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.3	-175	-52.4	-67.7	0	0	0	109.6	F7 Y8 S12 I13 L14 F109 E146 A147 A293	F7-I107 HydrophobicContact CE1-CD1 4.13Å; F7-I107 HydrophobicContact CE1-CG1 4.47Å; F7-I107 HydrophobicContact CZ-CD1 3.71Å; F7-I107 HydrophobicContact CZ-CG1 4.39Å; Y8-I107 HydrophobicContact CE1-CG1 4.25Å; Y8-I107 HydrophobicContact CE1-CG2 4.4Å; S12-I107 PolarHBondContact O-N 3.01Å; I13-I107 CarbonylContact C-O 3.47Å; I13-I107 WeakPolarHBondContact CA-O 3.45Å; I13-I107 HydrophobicContact CG1-CB 4.4Å; I13-I107 HydrophobicContact CG2-CB 4.4Å; L14-I107 PolarHBondContact N-O 3.32Å; I107-F109 HydrophobicContact CG2-CD2 4.08Å; I107-F109 HydrophobicContact CG2-CE2 3.64Å; I107-F109 HydrophobicContact CG2-CZ 4.07Å; I107-E146 HydrophobicContact CD1-CB 3.92Å; I107-A147 WeakPolarHBondContact CA-O 3.37Å; I107-A147 HydrophobicContact CD1-CB 3.84Å; I107-A293 HydrophobicContact CD1-CB 4.31Å
108	I	98.8	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.2	172.3	-63.2	174.5	0	0	0	109.8	L14 T105 L135 A139 M142 L145 A147 F148 I149	L14-I108 HydrophobicContact CB-CG1 4.14Å; L14-I108 HydrophobicContact CD2-CD1 4.3Å; L14-I108 HydrophobicContact CD2-CG1 4.17Å; L14-I108 CarbonylContact O-C 3.57Å; L14-I108 WeakPolarHBondContact O-CA 3.32Å; T105-I108 HydrophobicContact CG2-CD1 4.49Å; T105-I108 HydrophobicContact CG2-CG1 3.8Å; I108-L135 HydrophobicContact CG2-CD2 4.13Å; I108-A139 HydrophobicContact CD1-CB 3.71Å; I108-M142 HydrophobicContact CD1-CE 4.05Å; I108-M142 HydrophobicContact CD1-SD 3.69Å; I108-M142 HydrophobicContact CG1-SD 4.43Å; I108-L145 HydrophobicContact CD1-CD1 3.96Å; I108-L145 HydrophobicContact CD1-CD2 4.31Å; I108-L145 HydrophobicContact CG1-CD1 3.81Å; I108-A147 PolarHBondContact N-O 3.19Å; I108-F148 HydrophobicContact CB-CD2 3.88Å; I108-F148 HydrophobicContact CB-CE2 4.34Å; I108-F148 HydrophobicContact CB-CG 4.37Å; I108-F148 HydrophobicContact CD1-CD2 3.78Å; I108-F148 HydrophobicContact CD1-CE2 4.11Å; I108-F148 HydrophobicContact CG1-CD2 4.39Å; I108-F148 HydrophobicContact CG2-CD2 3.89Å; I108-F148 HydrophobicContact CG2-CE2 3.84Å; I108-F148 HydrophobicContact CG2-CZ 4.41Å; I108-I149 PolarHBondContact O-N 3.02Å
109	F	98.8	Very high	94.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	105.8	163.6	-68.9	-80.2	0	0	0	109.9	Y8 I13 L14 I15 T16 L26 I107 C111 I149 M285 L286	Y8-F109 HydrophobicContact CE1-CE2 4.18Å; Y8-F109 HydrophobicContact CE1-CZ 4.27Å; Y8-F109 WeakPolarHBondContact OH-CZ 3.43Å; I13-F109 HydrophobicContact CG2-CD2 3.68Å; I13-F109 HydrophobicContact CG2-CE2 3.96Å; L14-F109 PolarHBondContact O-N 2.92Å; I15-F109 WeakPolarHBondContact CA-O 3.23Å; I15-F109 HydrophobicContact CG1-CB 4.34Å; I15-F109 HydrophobicContact CG1-CD2 4.44Å; T16-F109 PolarHBondContact N-O 3.48Å; L26-F109 HydrophobicContact CD2-CB 3.68Å; L26-F109 HydrophobicContact CD2-CD1 4.16Å; L26-F109 HydrophobicContact CD2-CD2 3.89Å; L26-F109 HydrophobicContact CD2-CG 3.65Å; I107-F109 HydrophobicContact CG2-CD2 4.08Å; I107-F109 HydrophobicContact CG2-CE2 3.64Å; I107-F109 HydrophobicContact CG2-CZ 4.07Å; F109-C111 PolarHBondContact O-N 3.2Å; F109-I149 HydrophobicContact CD1-CB 3.65Å; F109-I149 HydrophobicContact CD1-CG1 4.04Å; F109-I149 HydrophobicContact CD1-CG2 3.89Å; F109-I149 HydrophobicContact CE1-CB 3.88Å; F109-I149 HydrophobicContact CE1-CG1 3.79Å; F109-I149 HydrophobicContact CE1-CG2 4.03Å; F109-I149 HydrophobicContact CZ-CG1 4.5Å; F109-M285 HydrophobicContact CD1-CE 3.91Å; F109-M285 HydrophobicContact CE1-CB 4.11Å; F109-M285 HydrophobicContact CE1-CE 4.49Å; F109-M285 WeakPolarHBondContact CE1-O 3.38Å; F109-L286 HydrophobicContact CE2-CD2 4.3Å; F109-L286 HydrophobicContact CZ-CD2 3.87Å
110	H	98.4	Very high	94.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	88.7	178.9	-171.3	42.9	0	0	0	110.6	T16 T132 L135 F148 I149 H150 I151	T16-H110 WeakPolarHBondContact OG1-CA 3.22Å; T16-H110 PolarHBondContact OG1-CE1 3.28Å; T16-H110 PolarHBondContact OG1-ND1 2.87Å; H110-T132 PolarHBondContact NE2-OG1 2.65Å; H110-T132 VanDerWaalsContact NE2-OG1 3.16Å; H110-L135 HydrophobicContact CB-CD2 3.9Å; H110-L135 VanDerWaalsContact ND1-CD2 3.32Å; H110-L135 WeakPolarHBondContact ND1-CD2 3.3Å; H110-F148 HydrophobicContact CB-CE1 4.17Å; H110-F148 HydrophobicContact CB-CZ 4.06Å; H110-I149 PolarHBondContact N-O 3.22Å; H110-H150 AromaticContact CD2-CE1 3.71Å; H110-H150 AromaticContact CD2-ND1 3.38Å; H110-H150 PolarHBondContact CD2-ND1 3.14Å; H110-I151 PolarHBondContact O-N 2.79Å
111	C	97.3	Very high	94.4	Very high	23 Å²	23	29.7 Å²	29.7	16%	0.155	17%	0.165	C	C	.	.			trans	-102.7	-9.6	179.8	-48.9	0	0	0	0	113.6	T16 F109 A113 I151	T16-C111 VanDerWaalsContact O-CB 3.25Å; T16-C111 WeakPolarHBondContact O-CB 3.47Å; T16-C111 PolarHBondContact O-N 3.07Å; T16-C111 PolarHBondContact OG1-N 3.34Å; F109-C111 PolarHBondContact O-N 3.2Å; C111-A113 PolarHBondContact O-N 3.13Å; C111-I151 HydrophobicContact CB-CG1 4.38Å
112	A	92.8	Very high	94.3	Very high	17 Å²	17	33.1 Å²	33.1	14%	0.14	18%	0.179	C	C	.	.			trans	-67.3	124.6	178.9	0	0	0	0	0	110.9	T16 L86	T16-A112 PolarHBondContact O-N 2.99Å; T16-A112 WeakPolarHBondContact OG1-CB 3.49Å; T16-A112 PolarHBondContact OG1-N 3.33Å; L86-A112 HydrophobicContact CD1-CB 3.46Å; L86-A112 VanDerWaalsContact CD1-CB 3.46Å
113	A	91.1	Very high	94.1	Very high	40 Å²	40	34.8 Å²	34.8	33%	0.331	19%	0.186	S	C	.	.			trans	-156.5	155	172.5	0	0	0	0	0	109.6	C111 N128	C111-A113 PolarHBondContact O-N 3.13Å; A113-N128 VanDerWaalsContact CA-OD1 3.23Å; A113-N128 WeakPolarHBondContact CA-OD1 3.42Å; A113-N128 WeakPolarHBondContact CB-OD1 3.22Å
114	T	88.9	Confident	94	Very high	12 Å²	12	33.1 Å²	33.1	7%	0.074	17%	0.174	C	C	.	.			trans	-81.9	132.4	155.7	-176.7	0	0	0	0	108.8	D119 A124 L127 N128 Y204	T114-D119 WeakPolarHBondContact CB-OD2 3.18Å; T114-D119 WeakPolarHBondContact CG2-OD2 3.31Å; T114-D119 PolarHBondContact OG1-OD2 2.88Å; T114-A124 HydrophobicContact CG2-CB 3.94Å; T114-L127 HydrophobicContact CG2-CB 4.46Å; T114-L127 HydrophobicContact CG2-CD1 4.42Å; T114-N128 PolarHBondContact N-OD1 2.89Å; T114-N128 PolarHBondContact O-ND2 2.79Å; T114-Y204 WeakPolarHBondContact O-CD2 3.49Å; T114-Y204 WeakPolarHBondContact O-CE2 3.49Å
115	V	85.3	Confident	93.9	Very high	71 Å²	71	32.2 Å²	32.2	43%	0.43	17%	0.167	S	C	.	.			trans	-111.4	11.1	179	-59.8	0	0	0	0	112.2	Y204	V115-Y204 HydrophobicContact CB-CD2 4.46Å; V115-Y204 HydrophobicContact CB-CE2 4.15Å; V115-Y204 HydrophobicContact CG1-CE2 3.87Å
116	R	86.7	Confident	93.8	Very high	133 Å²	133	34.2 Å²	34.2	50%	0.502	18%	0.177	S	C	.	.			trans	-81.7	128.1	-176.9	-71.4	-177	65.3	-169.7	-2.3	110.1	D118 D119	R116-D118 VanDerWaalsContact C-N 3.28Å; R116-D118 IonicContact CZ-OD1 2.84Å; R116-D118 IonicContact NE-OD1 2.8Å; R116-D118 PolarHBondContact NE-OD1 3.26Å; R116-D118 VanDerWaalsContact NH2-CG 3.35Å; R116-D118 IonicContact NH2-OD1 2.75Å; R116-D118 PolarHBondContact NH2-OD1 3.08Å; R116-D118 VanDerWaalsContact NH2-OD1 3.09Å; R116-D118 IonicContact NH2-OD2 2.7Å; R116-D118 PolarHBondContact NH2-OD2 3.25Å; R116-D118 VanDerWaalsContact NH2-OD2 3.09Å; R116-D119 HydrophobicContact CB-CB 4Å
117	F	87.2	Confident	93.6	Very high	50 Å²	50	34 Å²	34	22%	0.219	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-19.1	176.6	-62.3	-5.2	0	0	0	112.3	N202 Y204 M390 L391 F394	F117-N202 HydrophobicContact CB-CB 4.11Å; F117-N202 HydrophobicContact CG-CB 4.27Å; F117-Y204 HydrophobicContact CD1-CD1 4.13Å; F117-Y204 HydrophobicContact CD1-CG 4.18Å; F117-Y204 AromaticContact CE1-CD1 3.51Å; F117-Y204 HydrophobicContact CE1-CD1 3.51Å; F117-Y204 HydrophobicContact CE1-CE1 4.27Å; F117-Y204 AromaticContact CE1-CG 3.99Å; F117-Y204 HydrophobicContact CE1-CG 3.99Å; F117-Y204 HydrophobicContact CZ-CD1 4.48Å; F117-M390 HydrophobicContact CB-CB 4.48Å; F117-M390 HydrophobicContact CB-SD 4.03Å; F117-M390 HydrophobicContact CD2-CB 4.13Å; F117-L391 HydrophobicContact CD2-CD2 4.28Å; F117-L391 HydrophobicContact CE2-CD2 3.69Å; F117-F394 HydrophobicContact CD2-CE2 4.39Å; F117-F394 AromaticContact CE2-CD2 3.97Å; F117-F394 HydrophobicContact CE2-CD2 3.97Å; F117-F394 AromaticContact CE2-CE2 3.49Å; F117-F394 HydrophobicContact CE2-CE2 3.49Å; F117-F394 VanDerWaalsContact CE2-CE2 3.49Å; F117-F394 HydrophobicContact CE2-CZ 4.45Å; F117-F394 HydrophobicContact CZ-CD2 4.36Å; F117-F394 AromaticContact CZ-CE2 3.73Å; F117-F394 HydrophobicContact CZ-CE2 3.73Å; F117-F394 HydrophobicContact CZ-CZ 4.3Å
118	D	87.3	Confident	93.5	Very high	89 Å²	89	34 Å²	34	48%	0.476	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	20.9	179.4	70.7	-26.2	0	0	0	113	R116 M390	R116-D118 VanDerWaalsContact C-N 3.28Å; R116-D118 IonicContact CZ-OD1 2.84Å; R116-D118 IonicContact NE-OD1 2.8Å; R116-D118 PolarHBondContact NE-OD1 3.26Å; R116-D118 VanDerWaalsContact NH2-CG 3.35Å; R116-D118 IonicContact NH2-OD1 2.75Å; R116-D118 PolarHBondContact NH2-OD1 3.08Å; R116-D118 VanDerWaalsContact NH2-OD1 3.09Å; R116-D118 IonicContact NH2-OD2 2.7Å; R116-D118 PolarHBondContact NH2-OD2 3.25Å; R116-D118 VanDerWaalsContact NH2-OD2 3.09Å; D118-M390 HydrophobicContact CB-CE 4.42Å; D118-M390 HydrophobicContact CB-SD 4.01Å
119	D	91.4	Very high	93.4	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.176	C	C	.	.	S	Bend	trans	-76.8	160.8	176	-142.2	-21.4	0	0	0	111.4	T114 R116 H123 I203	T114-D119 WeakPolarHBondContact CB-OD2 3.18Å; T114-D119 WeakPolarHBondContact CG2-OD2 3.31Å; T114-D119 PolarHBondContact OG1-OD2 2.88Å; R116-D119 HydrophobicContact CB-CB 4Å; D119-H123 IonicContact OD1-CE1 3.19Å; D119-H123 IonicContact OD1-CG 2.82Å; D119-H123 IonicContact OD1-ND1 3.51Å; D119-H123 PolarHBondContact OD1-ND1 3.49Å; D119-H123 IonicContact OD2-CE1 2.79Å; D119-H123 PolarHBondContact OD2-CE1 3.35Å; D119-H123 IonicContact OD2-ND1 3.57Å; D119-H123 PolarHBondContact OD2-ND1 3.04Å; D119-I203 WeakPolarHBondContact O-CD1 3.39Å
120	T	94.7	Very high	93.3	Very high	65 Å²	65	34.7 Å²	34.7	40%	0.399	18%	0.18	S	C	.	.			trans	-77.1	150.4	172	68	0	0	0	0	110.1	R122 H123 A124	T120-R122 VanDerWaalsContact C-N 3.31Å; T120-R122 PolarHBondContact O-N 2.91Å; T120-H123 PolarHBondContact O-N 3.05Å; T120-H123 WeakPolarHBondContact OG1-CB 3.23Å; T120-H123 PolarHBondContact OG1-N 3.3Å; T120-A124 WeakPolarHBondContact O-CB 3.46Å; T120-A124 PolarHBondContact O-N 3.47Å
121	L	95.6	Very high	93.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-43.6	179.6	179.6	65	0	0	0	111.4	H123 A124 V125 L181 I189 T193 L196 I203 Y206 T207	L121-H123 PolarHBondContact O-N 2.81Å; L121-A124 PolarHBondContact O-N 2.9Å; L121-V125 HydrophobicContact CD1-CG2 3.88Å; L121-V125 HydrophobicContact CG-CG2 4.25Å; L121-V125 WeakPolarHBondContact O-CB 3.33Å; L121-V125 WeakPolarHBondContact O-CG2 3.49Å; L121-V125 PolarHBondContact O-N 3Å; L121-L181 HydrophobicContact CD2-CD1 4.42Å; L121-L181 HydrophobicContact CD2-CD2 3.99Å; L121-L181 HydrophobicContact CG-CD1 4.15Å; L121-L181 HydrophobicContact CG-CD2 4.36Å; L121-I189 HydrophobicContact CB-CG2 3.83Å; L121-I189 HydrophobicContact CD2-CG2 4.1Å; L121-I189 HydrophobicContact CG-CG2 4.43Å; L121-T193 HydrophobicContact CB-CG2 4.42Å; L121-T193 WeakPolarHBondContact CD2-OG1 3.21Å; L121-L196 HydrophobicContact CD2-CD2 3.5Å; L121-I203 HydrophobicContact CD1-CG2 4.04Å; L121-Y206 HydrophobicContact CD1-CD1 4.25Å; L121-Y206 HydrophobicContact CD1-CE1 4.24Å; L121-T207 HydrophobicContact CD1-CG2 4.4Å
122	R	95.1	Very high	93.2	Very high	73 Å²	73	33.6 Å²	33.6	28%	0.275	17%	0.173	S	C	.	.	H	α-helix	trans	-55.2	-53.1	176.9	-177	-168.5	-60	-77.1	-2.8	112.1	T120 A124 V125 Q126 L181 L184 D186	T120-R122 VanDerWaalsContact C-N 3.31Å; T120-R122 PolarHBondContact O-N 2.91Å; R122-A124 VanDerWaalsContact C-N 3.34Å; R122-A124 PolarHBondContact O-N 3.08Å; R122-V125 PolarHBondContact O-N 3.3Å; R122-Q126 WeakPolarHBondContact O-CB 3.16Å; R122-Q126 PolarHBondContact O-N 3.05Å; R122-L181 PolarHBondContact NH1-O 3.29Å; R122-L181 PolarHBondContact NH2-O 3.2Å; R122-L184 PolarHBondContact NH2-O 3.47Å; R122-D186 IonicContact CZ-OD1 3.47Å; R122-D186 VanDerWaalsContact CZ-OD1 3.24Å; R122-D186 IonicContact NE-OD1 3.26Å; R122-D186 PolarHBondContact NE-OD1 2.81Å; R122-D186 IonicContact NH2-OD1 2.79Å; R122-D186 PolarHBondContact NH2-OD1 3.23Å
123	H	94.7	Very high	93.3	Very high	60 Å²	60	37.2 Å²	37.2	28%	0.278	18%	0.182	S	C	.	.	H	α-helix	trans	-65.8	-39.6	-177.4	178.5	-110.1	0	0	0	111.6	D119 T120 L121 Q126 L127	D119-H123 IonicContact OD1-CE1 3.19Å; D119-H123 IonicContact OD1-CG 2.82Å; D119-H123 IonicContact OD1-ND1 3.51Å; D119-H123 PolarHBondContact OD1-ND1 3.49Å; D119-H123 IonicContact OD2-CE1 2.79Å; D119-H123 PolarHBondContact OD2-CE1 3.35Å; D119-H123 IonicContact OD2-ND1 3.57Å; D119-H123 PolarHBondContact OD2-ND1 3.04Å; T120-H123 PolarHBondContact O-N 3.05Å; T120-H123 WeakPolarHBondContact OG1-CB 3.23Å; T120-H123 PolarHBondContact OG1-N 3.3Å; L121-H123 PolarHBondContact O-N 2.81Å; H123-Q126 PolarHBondContact O-N 3.36Å; H123-L127 VanDerWaalsContact CE1-CD1 3.4Å; H123-L127 WeakPolarHBondContact CE1-CD1 3.4Å; H123-L127 WeakPolarHBondContact NE2-CD1 3.28Å; H123-L127 PolarHBondContact O-N 3.16Å; H123-L127 VanDerWaalsContact O-N 3.08Å
124	A	95.9	Very high	93.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-41.2	177.4	0	0	0	0	0	113	T114 T120 L121 R122 N128 I203 T207	T114-A124 HydrophobicContact CG2-CB 3.94Å; T120-A124 WeakPolarHBondContact O-CB 3.46Å; T120-A124 PolarHBondContact O-N 3.47Å; L121-A124 PolarHBondContact O-N 2.9Å; R122-A124 VanDerWaalsContact C-N 3.34Å; R122-A124 PolarHBondContact O-N 3.08Å; A124-N128 VanDerWaalsContact O-CB 3.26Å; A124-N128 WeakPolarHBondContact O-CB 3.45Å; A124-N128 PolarHBondContact O-N 2.9Å; A124-I203 HydrophobicContact CB-CG2 3.39Å; A124-T207 HydrophobicContact CB-CG2 3.85Å
125	V	96.4	Very high	93.9	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-44.6	174.5	170.1	0	0	0	0	110.4	L121 R122 L127 V129 T130 I177 I178 L181 T207	L121-V125 HydrophobicContact CD1-CG2 3.88Å; L121-V125 HydrophobicContact CG-CG2 4.25Å; L121-V125 WeakPolarHBondContact O-CB 3.33Å; L121-V125 WeakPolarHBondContact O-CG2 3.49Å; L121-V125 PolarHBondContact O-N 3Å; R122-V125 PolarHBondContact O-N 3.3Å; V125-L127 PolarHBondContact O-N 2.87Å; V125-V129 HydrophobicContact CG1-CB 4.12Å; V125-V129 HydrophobicContact CG1-CG2 4.34Å; V125-V129 WeakPolarHBondContact O-CA 3.18Å; V125-V129 WeakPolarHBondContact O-CB 3.06Å; V125-V129 PolarHBondContact O-N 3.19Å; V125-T130 PolarHBondContact O-N 2.89Å; V125-I177 HydrophobicContact CG1-CG2 4.49Å; V125-I177 HydrophobicContact CG2-CG2 4.17Å; V125-I178 HydrophobicContact CG1-CG1 3.96Å; V125-L181 HydrophobicContact CB-CD1 3.72Å; V125-L181 HydrophobicContact CG1-CD1 3.89Å; V125-L181 HydrophobicContact CG2-CD1 3.65Å; V125-T207 HydrophobicContact CG2-CG2 3.78Å
126	Q	95.6	Very high	94.5	Very high	43 Å²	43	32.8 Å²	32.8	20%	0.201	15%	0.15	C	C	.	.	I	π-helix	trans	-54.9	-52.1	177.1	178.9	57.2	35.6	0	0	111.7	L86 N87 R122 H123 T130 A131	L86-Q126 PolarHBondContact O-NE2 3.39Å; N87-Q126 HydrophobicContact CB-CG 4.47Å; R122-Q126 WeakPolarHBondContact O-CB 3.16Å; R122-Q126 PolarHBondContact O-N 3.05Å; H123-Q126 PolarHBondContact O-N 3.36Å; Q126-T130 WeakPolarHBondContact O-CB 3.42Å; Q126-T130 PolarHBondContact O-N 3.26Å; Q126-A131 WeakPolarHBondContact O-CB 3.43Å; Q126-A131 PolarHBondContact O-N 3.37Å
127	L	95.2	Very high	94.9	Very high	14 Å²	14	28.4 Å²	28.4	7%	0.073	14%	0.136	C	C	.	.	I	π-helix	trans	-76.3	-41.9	-175.6	-75.1	-179.1	0	0	0	114.3	L86 N87 T114 H123 V125	L86-L127 HydrophobicContact CB-CD2 3.76Å; N87-L127 WeakPolarHBondContact OD1-CD2 3.37Å; N87-L127 WeakPolarHBondContact OD1-CG 3.24Å; T114-L127 HydrophobicContact CG2-CB 4.46Å; T114-L127 HydrophobicContact CG2-CD1 4.42Å; H123-L127 VanDerWaalsContact CE1-CD1 3.4Å; H123-L127 WeakPolarHBondContact CE1-CD1 3.4Å; H123-L127 WeakPolarHBondContact NE2-CD1 3.28Å; H123-L127 PolarHBondContact O-N 3.16Å; H123-L127 VanDerWaalsContact O-N 3.08Å; V125-L127 PolarHBondContact O-N 2.87Å
128	N	97	Very high	95.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.128	C	C	.	.	I	π-helix	trans	-91.1	-20.2	-172	-65.7	-11.5	0	0	0	112.8	A113 T114 A124 T132 T207	A113-N128 VanDerWaalsContact CA-OD1 3.23Å; A113-N128 WeakPolarHBondContact CA-OD1 3.42Å; A113-N128 WeakPolarHBondContact CB-OD1 3.22Å; T114-N128 PolarHBondContact N-OD1 2.89Å; T114-N128 PolarHBondContact O-ND2 2.79Å; A124-N128 VanDerWaalsContact O-CB 3.26Å; A124-N128 WeakPolarHBondContact O-CB 3.45Å; A124-N128 PolarHBondContact O-N 2.9Å; N128-T132 PolarHBondContact O-OG1 2.93Å; N128-T207 PolarHBondContact ND2-OG1 3.07Å
129	V	96.8	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-119.1	-61	-172.7	-167.9	0	0	0	0	110.8	V125 T132 R133 P174 I178 L210 V214	V125-V129 HydrophobicContact CG1-CB 4.12Å; V125-V129 HydrophobicContact CG1-CG2 4.34Å; V125-V129 WeakPolarHBondContact O-CA 3.18Å; V125-V129 WeakPolarHBondContact O-CB 3.06Å; V125-V129 PolarHBondContact O-N 3.19Å; V129-T132 WeakPolarHBondContact O-CB 3.4Å; V129-T132 PolarHBondContact O-N 3.36Å; V129-R133 PolarHBondContact O-N 3.5Å; V129-P174 HydrophobicContact CG1-CB 4.07Å; V129-I178 HydrophobicContact CG1-CD1 4.1Å; V129-L210 HydrophobicContact CG1-CB 4.22Å; V129-L210 HydrophobicContact CG2-CB 3.67Å; V129-L210 HydrophobicContact CG2-CD1 4.32Å; V129-V214 HydrophobicContact CG1-CG2 3.53Å
130	T	96.1	Very high	96	Very high	15 Å²	15	23.5 Å²	23.5	9%	0.092	12%	0.115	C	C	.	.	I	π-helix	trans	-64.5	-46.8	-177.1	-53	0	0	0	0	111.8	V125 Q126 T132 R133 Q134	V125-T130 PolarHBondContact O-N 2.89Å; Q126-T130 WeakPolarHBondContact O-CB 3.42Å; Q126-T130 PolarHBondContact O-N 3.26Å; T130-T132 VanDerWaalsContact C-N 3.32Å; T130-T132 PolarHBondContact O-N 3Å; T130-R133 WeakPolarHBondContact O-CB 3.2Å; T130-R133 PolarHBondContact O-N 3.24Å; T130-Q134 WeakPolarHBondContact O-CG 3.43Å; T130-Q134 PolarHBondContact O-N 3.42Å
131	A	96.3	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-36.1	177.7	0	0	0	0	0	112.2	L86 F91 Q126 R133 Q134 L135	L86-A131 HydrophobicContact CB-CB 3.93Å; F91-A131 HydrophobicContact CE1-CB 4Å; F91-A131 WeakPolarHBondContact CZ-O 3.42Å; Q126-A131 WeakPolarHBondContact O-CB 3.43Å; Q126-A131 PolarHBondContact O-N 3.37Å; A131-R133 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 2.91Å; A131-Q134 PolarHBondContact O-N 3.25Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 PolarHBondContact O-N 2.73Å
132	T	96.9	Very high	96.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-59.3	-46.6	172.1	-57.6	0	0	0	0	110.5	H110 N128 V129 T130 L135 L136 V214 V215	H110-T132 PolarHBondContact NE2-OG1 2.65Å; H110-T132 VanDerWaalsContact NE2-OG1 3.16Å; N128-T132 PolarHBondContact O-OG1 2.93Å; V129-T132 WeakPolarHBondContact O-CB 3.4Å; V129-T132 PolarHBondContact O-N 3.36Å; T130-T132 VanDerWaalsContact C-N 3.32Å; T130-T132 PolarHBondContact O-N 3Å; T132-L135 PolarHBondContact O-N 2.91Å; T132-L136 HydrophobicContact CG2-CD1 4.09Å; T132-L136 WeakPolarHBondContact O-CG 3.27Å; T132-L136 PolarHBondContact O-N 3.28Å; T132-V214 HydrophobicContact CG2-CG1 4.37Å; T132-V215 HydrophobicContact CG2-CG2 3.82Å
133	R	96.1	Very high	96.2	Very high	92 Å²	92	28.8 Å²	28.8	35%	0.347	15%	0.148	S	C	.	.	H	α-helix	trans	-59.3	-51.1	176.7	-178.7	165.5	-179.5	-85.2	-10.9	111.9	V129 T130 A131 L135 L136 L137 V214 E218	V129-R133 PolarHBondContact O-N 3.5Å; T130-R133 WeakPolarHBondContact O-CB 3.2Å; T130-R133 PolarHBondContact O-N 3.24Å; A131-R133 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 2.91Å; R133-L135 VanDerWaalsContact C-N 3.26Å; R133-L135 PolarHBondContact O-N 3.46Å; R133-L136 PolarHBondContact O-N 3.21Å; R133-L137 HydrophobicContact CG-CD1 4.28Å; R133-L137 WeakPolarHBondContact O-CG 3.26Å; R133-L137 PolarHBondContact O-N 2.98Å; R133-V214 HydrophobicContact CB-CG1 3.55Å; R133-V214 HydrophobicContact CG-CG1 4.21Å; R133-E218 HydrophobicContact CG-CG 4.13Å; R133-E218 IonicContact CZ-OE1 2.89Å; R133-E218 IonicContact NE-OE1 3.63Å; R133-E218 PolarHBondContact NE-OE1 3.38Å; R133-E218 IonicContact NH2-OE1 3.33Å; R133-E218 PolarHBondContact NH2-OE1 3.03Å
134	Q	95.6	Very high	96.4	Very high	29 Å²	29	31 Å²	31	14%	0.136	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-39.5	178.7	-73.7	170.3	-28.8	0	0	111.5	N89 F91 T130 A131 L137 M138	N89-Q134 PolarHBondContact OD1-NE2 2.85Å; F91-Q134 HydrophobicContact CE1-CB 3.69Å; F91-Q134 VanDerWaalsContact CE1-OE1 3.3Å; F91-Q134 HydrophobicContact CE2-CB 4.39Å; F91-Q134 HydrophobicContact CZ-CB 3.5Å; T130-Q134 WeakPolarHBondContact O-CG 3.43Å; T130-Q134 PolarHBondContact O-N 3.42Å; A131-Q134 PolarHBondContact O-N 3.25Å; Q134-L137 PolarHBondContact O-N 3.03Å; Q134-M138 WeakPolarHBondContact O-CB 3.44Å; Q134-M138 PolarHBondContact O-N 3.32Å
135	L	96.8	Very high	96.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-36.9	178.8	-170.4	67.2	0	0	0	112	L14 T16 F91 I108 H110 A131 T132 R133 M138 A139 F148	L14-L135 HydrophobicContact CD2-CD1 4.32Å; T16-L135 HydrophobicContact CG2-CD1 4.45Å; T16-L135 HydrophobicContact CG2-CD2 3.68Å; F91-L135 HydrophobicContact CE2-CB 4.13Å; F91-L135 HydrophobicContact CE2-CD1 3.88Å; F91-L135 HydrophobicContact CZ-CB 3.93Å; F91-L135 HydrophobicContact CZ-CD1 4.47Å; I108-L135 HydrophobicContact CG2-CD2 4.13Å; H110-L135 HydrophobicContact CB-CD2 3.9Å; H110-L135 VanDerWaalsContact ND1-CD2 3.32Å; H110-L135 WeakPolarHBondContact ND1-CD2 3.3Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 PolarHBondContact O-N 2.73Å; T132-L135 PolarHBondContact O-N 2.91Å; R133-L135 VanDerWaalsContact C-N 3.26Å; R133-L135 PolarHBondContact O-N 3.46Å; L135-M138 HydrophobicContact CD1-CE 3.47Å; L135-M138 VanDerWaalsContact CD1-CE 3.47Å; L135-M138 HydrophobicContact CD1-SD 4.37Å; L135-M138 PolarHBondContact O-N 3.33Å; L135-A139 WeakPolarHBondContact O-CB 3.49Å; L135-A139 PolarHBondContact O-N 3.46Å; L135-F148 HydrophobicContact CD2-CE2 3.98Å; L135-F148 HydrophobicContact CD2-CZ 3.92Å; L135-F148 HydrophobicContact CG-CE2 3.9Å; L135-F148 HydrophobicContact CG-CZ 4.21Å
136	L	97.1	Very high	96.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-40.5	173.6	-71.9	160.3	0	0	0	111.7	T132 R133 A139 S140 F148 V214 V215 E218 L222 I224	T132-L136 HydrophobicContact CG2-CD1 4.09Å; T132-L136 WeakPolarHBondContact O-CG 3.27Å; T132-L136 PolarHBondContact O-N 3.28Å; R133-L136 PolarHBondContact O-N 3.21Å; L136-A139 WeakPolarHBondContact O-CB 3.49Å; L136-A139 PolarHBondContact O-N 3.01Å; L136-S140 PolarHBondContact O-N 3.14Å; L136-F148 HydrophobicContact CD2-CD1 4.02Å; L136-F148 HydrophobicContact CD2-CD2 4.12Å; L136-F148 HydrophobicContact CD2-CE1 3.77Å; L136-F148 HydrophobicContact CD2-CE2 3.85Å; L136-F148 HydrophobicContact CD2-CG 4.21Å; L136-F148 HydrophobicContact CD2-CZ 3.68Å; L136-F148 HydrophobicContact CG-CE1 4.39Å; L136-F148 HydrophobicContact CG-CE2 4.26Å; L136-F148 HydrophobicContact CG-CZ 3.96Å; L136-V214 HydrophobicContact CD1-CG1 4.06Å; L136-V215 HydrophobicContact CD1-CB 4.4Å; L136-V215 HydrophobicContact CD1-CG2 4.03Å; L136-E218 HydrophobicContact CB-CB 4.11Å; L136-E218 HydrophobicContact CD1-CB 4.04Å; L136-L222 HydrophobicContact CD2-CD1 4.22Å; L136-I224 HydrophobicContact CD2-CD1 3.8Å
137	L	95.4	Very high	96.8	Very high	41 Å²	41	31.7 Å²	31.7	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-40.6	174.8	-66.5	173.8	0	0	0	111.8	R133 Q134 S140 Q141 R220	R133-L137 HydrophobicContact CG-CD1 4.28Å; R133-L137 WeakPolarHBondContact O-CG 3.26Å; R133-L137 PolarHBondContact O-N 2.98Å; Q134-L137 PolarHBondContact O-N 3.03Å; L137-S140 PolarHBondContact O-N 2.91Å; L137-S140 PolarHBondContact O-OG 2.73Å; L137-Q141 PolarHBondContact O-NE2 3.3Å; L137-Q141 VanDerWaalsContact O-NE2 3.14Å; L137-R220 VanDerWaalsContact CD2-NH2 3.32Å
138	M	95.4	Very high	96.9	Very high	10 Å²	10	31 Å²	31	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-45.8	172.2	-171.6	-175.5	91.6	0	0	111.2	L14 F91 M98 L102 Q134 L135 S140 Q141 M142	L14-M138 HydrophobicContact CD2-CE 3.65Å; F91-M138 HydrophobicContact CD2-SD 4.35Å; F91-M138 HydrophobicContact CE2-SD 4.27Å; M98-M138 HydrophobicContact CE-SD 4.01Å; M98-M138 HydrophobicContact SD-CG 3.9Å; M98-M138 HydrophobicContact SD-SD 3.73Å; L102-M138 HydrophobicContact CD2-CG 3.93Å; L102-M138 WeakPolarHBondContact CD2-O 3.41Å; Q134-M138 WeakPolarHBondContact O-CB 3.44Å; Q134-M138 PolarHBondContact O-N 3.32Å; L135-M138 HydrophobicContact CD1-CE 3.47Å; L135-M138 VanDerWaalsContact CD1-CE 3.47Å; L135-M138 HydrophobicContact CD1-SD 4.37Å; L135-M138 PolarHBondContact O-N 3.33Å; M138-S140 VanDerWaalsContact C-N 3.27Å; M138-S140 PolarHBondContact O-N 3.14Å; M138-Q141 WeakPolarHBondContact O-CB 3.37Å; M138-Q141 PolarHBondContact O-N 3.18Å; M138-M142 HydrophobicContact CE-CE 3.38Å; M138-M142 HydrophobicContact CG-CE 4.18Å
139	A	97.2	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-35.5	178.1	0	0	0	0	0	112.6	I108 L135 L136 Q141 M142 L145 F148 L222	I108-A139 HydrophobicContact CD1-CB 3.71Å; L135-A139 WeakPolarHBondContact O-CB 3.49Å; L135-A139 PolarHBondContact O-N 3.46Å; L136-A139 WeakPolarHBondContact O-CB 3.49Å; L136-A139 PolarHBondContact O-N 3.01Å; A139-Q141 PolarHBondContact O-N 2.81Å; A139-Q141 VanDerWaalsContact O-N 3.1Å; A139-M142 WeakPolarHBondContact O-CB 3.2Å; A139-M142 PolarHBondContact O-N 3.43Å; A139-L145 HydrophobicContact CB-CD2 3.66Å; A139-L145 WeakPolarHBondContact O-CD2 3.45Å; A139-F148 HydrophobicContact CB-CD2 3.82Å; A139-F148 HydrophobicContact CB-CE2 4.09Å; A139-L222 HydrophobicContact CB-CD1 3.99Å
140	S	96.6	Very high	97.1	Very high	43 Å²	43	31 Å²	31	30%	0.301	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.3	176.7	77.6	0	0	0	0	114.5	L136 L137 M138	L136-S140 PolarHBondContact O-N 3.14Å; L137-S140 PolarHBondContact O-N 2.91Å; L137-S140 PolarHBondContact O-OG 2.73Å; M138-S140 VanDerWaalsContact C-N 3.27Å; M138-S140 PolarHBondContact O-N 3.14Å
141	Q	95.8	Very high	97.2	Very high	123 Å²	123	30.9 Å²	30.9	58%	0.575	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	4.7	177.4	-63.1	169.7	68.2	0	0	112.7	L102 L137 M138 A139 P143	L102-Q141 HydrophobicContact CD2-CB 3.78Å; L137-Q141 PolarHBondContact O-NE2 3.3Å; L137-Q141 VanDerWaalsContact O-NE2 3.14Å; M138-Q141 WeakPolarHBondContact O-CB 3.37Å; M138-Q141 PolarHBondContact O-N 3.18Å; A139-Q141 PolarHBondContact O-N 2.81Å; A139-Q141 VanDerWaalsContact O-N 3.1Å; Q141-P143 VanDerWaalsContact O-CD 3.24Å; Q141-P143 WeakPolarHBondContact O-CD 3.48Å
142	M	97.4	Very high	97.3	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.059	16%	0.157	C	C	.	.			trans	-94.2	104.2	-179.4	-66.8	179.3	178.7	0	0	111.3	L14 L102 T105 I108 M138 A139 K144 L145	L14-M142 HydrophobicContact CD2-CE 4.4Å; L102-M142 HydrophobicContact CD2-CE 4.35Å; L102-M142 HydrophobicContact CD2-CG 4Å; L102-M142 WeakPolarHBondContact O-CA 3.49Å; T105-M142 HydrophobicContact CG2-CE 4.47Å; T105-M142 HydrophobicContact CG2-SD 3.88Å; I108-M142 HydrophobicContact CD1-CE 4.05Å; I108-M142 HydrophobicContact CD1-SD 3.69Å; I108-M142 HydrophobicContact CG1-SD 4.43Å; M138-M142 HydrophobicContact CE-CE 3.38Å; M138-M142 HydrophobicContact CG-CE 4.18Å; A139-M142 WeakPolarHBondContact O-CB 3.2Å; A139-M142 PolarHBondContact O-N 3.43Å; M142-K144 PolarHBondContact O-N 3.25Å; M142-L145 HydrophobicContact CB-CB 3.68Å; M142-L145 HydrophobicContact CB-CD2 4.4Å; M142-L145 WeakPolarHBondContact O-CB 3.46Å; M142-L145 PolarHBondContact O-N 2.93Å; M142-L145 HydrophobicContact SD-CD1 4.34Å; M142-L145 HydrophobicContact SD-CD2 4.41Å
143	P	97.1	Very high	97.4	Very high	113 Å²	113	31.4 Å²	31.4	73%	0.734	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.6	-175.9	26.6	-36.4	0	0	0	114.4	L102 Q141	L102-P143 WeakPolarHBondContact O-CD 3.46Å; Q141-P143 VanDerWaalsContact O-CD 3.24Å; Q141-P143 WeakPolarHBondContact O-CD 3.48Å
144	K	98.1	Very high	97.5	Very high	106 Å²	106	27 Å²	27	46%	0.461	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	0.9	-179.5	-64.6	-177.5	-173.1	151	0	113.7	S103 T105 N106 M142 E146	S103-K144 WeakPolarHBondContact O-CD 3.21Å; S103-K144 WeakPolarHBondContact O-CE 3.36Å; S103-K144 PolarHBondContact O-NZ 2.92Å; T105-K144 CarbonylContact O-C 3.54Å; N106-K144 WeakPolarHBondContact CA-O 3.33Å; N106-K144 PolarHBondContact ND2-O 2.87Å; M142-K144 PolarHBondContact O-N 3.25Å; K144-E146 PolarHBondContact O-N 3.04Å
145	L	98.4	Very high	97.5	Very high	25 Å²	25	26.3 Å²	26.3	13%	0.131	14%	0.139	C	C	.	.			trans	-68.5	122.5	-175.9	-175.9	68.7	0	0	0	110.3	T105 I108 A139 M142 A147 L222	T105-L145 HydrophobicContact CG2-CD1 4.44Å; T105-L145 PolarHBondContact O-N 2.72Å; I108-L145 HydrophobicContact CD1-CD1 3.96Å; I108-L145 HydrophobicContact CD1-CD2 4.31Å; I108-L145 HydrophobicContact CG1-CD1 3.81Å; A139-L145 HydrophobicContact CB-CD2 3.66Å; A139-L145 WeakPolarHBondContact O-CD2 3.45Å; M142-L145 HydrophobicContact CB-CB 3.68Å; M142-L145 HydrophobicContact CB-CD2 4.4Å; M142-L145 WeakPolarHBondContact O-CB 3.46Å; M142-L145 PolarHBondContact O-N 2.93Å; M142-L145 HydrophobicContact SD-CD1 4.34Å; M142-L145 HydrophobicContact SD-CD2 4.41Å; L145-A147 WeakPolarHBondContact CD1-O 3.45Å; L145-L222 HydrophobicContact CD2-CD2 3.73Å
146	E	98.4	Very high	97.5	Very high	37 Å²	37	26.2 Å²	26.2	17%	0.173	14%	0.138	C	C	.	.			trans	-102.6	-35.2	-178.6	-71.4	167	-130.3	0	0	111.5	K11 N106 I107 K144 N223 A293	K11-E146 IonicContact NZ-OE1 3.81Å; K11-E146 PolarHBondContact NZ-OE1 3.06Å; K11-E146 IonicContact NZ-OE2 3.32Å; K11-E146 PolarHBondContact NZ-OE2 3.33Å; N106-E146 PolarHBondContact ND2-OE1 3.19Å; N106-E146 PolarHBondContact O-N 2.97Å; I107-E146 HydrophobicContact CD1-CB 3.92Å; K144-E146 PolarHBondContact O-N 3.04Å; E146-N223 WeakPolarHBondContact O-CB 3.49Å; E146-N223 PolarHBondContact O-ND2 2.79Å; E146-A293 HydrophobicContact CB-CB 3.88Å
147	A	98.5	Very high	97.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	144.5	176.9	0	0	0	0	0	113.4	I107 I108 L145 I149 N223 T292 A293	I107-A147 WeakPolarHBondContact CA-O 3.37Å; I107-A147 HydrophobicContact CD1-CB 3.84Å; I108-A147 PolarHBondContact N-O 3.19Å; L145-A147 WeakPolarHBondContact CD1-O 3.45Å; A147-I149 HydrophobicContact CB-CD1 4.22Å; A147-N223 WeakPolarHBondContact CA-O 3.32Å; A147-T292 HydrophobicContact CB-CG2 3.86Å; A147-A293 HydrophobicContact CB-CB 4.05Å
148	F	98.7	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.9	170.3	-176.5	-70.3	0	0	0	109.4	I108 H110 L135 L136 A139 H150 N223 I224 A225	I108-F148 HydrophobicContact CB-CD2 3.88Å; I108-F148 HydrophobicContact CB-CE2 4.34Å; I108-F148 HydrophobicContact CB-CG 4.37Å; I108-F148 HydrophobicContact CD1-CD2 3.78Å; I108-F148 HydrophobicContact CD1-CE2 4.11Å; I108-F148 HydrophobicContact CG1-CD2 4.39Å; I108-F148 HydrophobicContact CG2-CD2 3.89Å; I108-F148 HydrophobicContact CG2-CE2 3.84Å; I108-F148 HydrophobicContact CG2-CZ 4.41Å; H110-F148 HydrophobicContact CB-CE1 4.17Å; H110-F148 HydrophobicContact CB-CZ 4.06Å; L135-F148 HydrophobicContact CD2-CE2 3.98Å; L135-F148 HydrophobicContact CD2-CZ 3.92Å; L135-F148 HydrophobicContact CG-CE2 3.9Å; L135-F148 HydrophobicContact CG-CZ 4.21Å; L136-F148 HydrophobicContact CD2-CD1 4.02Å; L136-F148 HydrophobicContact CD2-CD2 4.12Å; L136-F148 HydrophobicContact CD2-CE1 3.77Å; L136-F148 HydrophobicContact CD2-CE2 3.85Å; L136-F148 HydrophobicContact CD2-CG 4.21Å; L136-F148 HydrophobicContact CD2-CZ 3.68Å; L136-F148 HydrophobicContact CG-CE1 4.39Å; L136-F148 HydrophobicContact CG-CE2 4.26Å; L136-F148 HydrophobicContact CG-CZ 3.96Å; A139-F148 HydrophobicContact CB-CD2 3.82Å; A139-F148 HydrophobicContact CB-CE2 4.09Å; F148-H150 HydrophobicContact CE1-CB 4.15Å; F148-N223 PolarHBondContact N-O 3.39Å; F148-I224 HydrophobicContact CB-CG1 4.05Å; F148-I224 HydrophobicContact CD1-CG1 4.48Å; F148-I224 HydrophobicContact CD1-CG2 4.05Å; F148-I224 HydrophobicContact CG-CG1 4.48Å; F148-I224 VanDerWaalsContact O-CA 3.3Å; F148-I224 WeakPolarHBondContact O-CA 3.45Å; F148-I224 WeakPolarHBondContact O-CG2 3.44Å; F148-A225 PolarHBondContact O-N 3.14Å; F148-A225 VanDerWaalsContact O-N 3.07Å
149	I	98.8	Very high	97.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.1	-175.5	-51.2	-52.2	0	0	0	109.3	I108 F109 H110 A147 I151 A225 I227 V288 T292	I108-I149 PolarHBondContact O-N 3.02Å; F109-I149 HydrophobicContact CD1-CB 3.65Å; F109-I149 HydrophobicContact CD1-CG1 4.04Å; F109-I149 HydrophobicContact CD1-CG2 3.89Å; F109-I149 HydrophobicContact CE1-CB 3.88Å; F109-I149 HydrophobicContact CE1-CG1 3.79Å; F109-I149 HydrophobicContact CE1-CG2 4.03Å; F109-I149 HydrophobicContact CZ-CG1 4.5Å; H110-I149 PolarHBondContact N-O 3.22Å; A147-I149 HydrophobicContact CB-CD1 4.22Å; I149-I151 HydrophobicContact CG2-CD1 4.11Å; I149-A225 HydrophobicContact CD1-CB 4.01Å; I149-I227 HydrophobicContact CG2-CD1 3.56Å; I149-I227 HydrophobicContact CG2-CG1 4.18Å; I149-V288 HydrophobicContact CD1-CG1 4.02Å; I149-T292 HydrophobicContact CD1-CG2 4.41Å
150	H	98.7	Very high	97.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.1	177.6	-176	72	0	0	0	111	H110 F148 S152 K208 V215 A225 I226 I227	H110-H150 AromaticContact CD2-CE1 3.71Å; H110-H150 AromaticContact CD2-ND1 3.38Å; H110-H150 PolarHBondContact CD2-ND1 3.14Å; F148-H150 HydrophobicContact CE1-CB 4.15Å; H150-S152 PolarHBondContact O-N 3.22Å; H150-K208 PolarHBondContact NE2-NZ 3.46Å; H150-V215 HydrophobicContact CB-CG2 4.09Å; H150-A225 PolarHBondContact N-O 2.74Å; H150-I226 HydrophobicContact CB-CG1 4.23Å; H150-I226 WeakPolarHBondContact O-CA 3.42Å; H150-I227 PolarHBondContact O-N 3.39Å
151	I	98.6	Very high	97.5	Very high	13 Å²	13	36 Å²	36	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	109.6	174	-52.3	-51.6	0	0	0	109.6	L22 H110 C111 I149 K208 I227 P229 M285	L22-I151 HydrophobicContact CD2-CG1 4.37Å; L22-I151 HydrophobicContact CD2-CG2 3.81Å; H110-I151 PolarHBondContact O-N 2.79Å; C111-I151 HydrophobicContact CB-CG1 4.38Å; I149-I151 HydrophobicContact CG2-CD1 4.11Å; I151-K208 PolarHBondContact O-NZ 2.88Å; I151-I227 HydrophobicContact CD1-CB 3.98Å; I151-I227 HydrophobicContact CD1-CD1 4.11Å; I151-I227 HydrophobicContact CD1-CG1 4.48Å; I151-P229 HydrophobicContact CG2-CG 4.33Å; I151-M285 HydrophobicContact CD1-CE 3.72Å; I151-M285 HydrophobicContact CD1-CG 3.76Å; I151-M285 HydrophobicContact CD1-SD 3.82Å; I151-M285 HydrophobicContact CG1-CE 3.99Å; I151-M285 HydrophobicContact CG1-SD 4.39Å
152	S	98.4	Very high	97.6	Very high	4 Å²	4	34 Å²	34	3%	0.028	17%	0.17	C	C	.	.			trans	-97.7	-143.4	172.2	-164.5	0	0	0	0	111.9	H150 K208 E212 I227 P229	H150-S152 PolarHBondContact O-N 3.22Å; S152-K208 VanDerWaalsContact CA-CE 3.41Å; S152-E212 WeakPolarHBondContact CB-OE1 3.48Å; S152-E212 WeakPolarHBondContact OG-CG 3.3Å; S152-E212 PolarHBondContact OG-OE1 3.19Å; S152-I227 WeakPolarHBondContact CA-O 3.4Å; S152-I227 PolarHBondContact N-O 3.17Å; S152-P229 WeakPolarHBondContact O-CD 3.46Å
153	T	98	Very high	97.6	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.043	17%	0.167	C	C	.	.			trans	-152.3	144.7	173.9	179.5	0	0	0	0	109	Y155 S156 Y204 K208 R228 P229	T153-Y155 PolarHBondContact O-N 3.48Å; T153-Y155 VanDerWaalsContact O-N 3.1Å; T153-Y155 PolarHBondContact OG1-N 3.3Å; T153-S156 PolarHBondContact O-N 2.94Å; T153-S156 VanDerWaalsContact O-N 3.11Å; T153-S156 PolarHBondContact O-OG 2.82Å; T153-S156 VanDerWaalsContact O-OG 3.12Å; T153-Y204 HydrophobicContact CG2-CE1 3.95Å; T153-K208 HydrophobicContact CG2-CB 3.92Å; T153-K208 HydrophobicContact CG2-CG 3.93Å; T153-R228 WeakPolarHBondContact O-CG 3.38Å; T153-P229 WeakPolarHBondContact CA-O 3.33Å; T153-P229 PolarHBondContact OG1-O 2.88Å
154	A	97.7	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-55.1	-28.5	172.9	0	0	0	0	0	111.2	S156 P229 T306 W401	A154-S156 VanDerWaalsContact C-N 3.3Å; A154-S156 PolarHBondContact O-N 2.86Å; A154-P229 PolarHBondContact N-O 3.37Å; A154-T306 HydrophobicContact CB-CG2 3.68Å; A154-W401 HydrophobicContact CB-CD2 4.48Å; A154-W401 HydrophobicContact CB-CE3 4.06Å; A154-W401 HydrophobicContact CB-CH2 3.78Å; A154-W401 HydrophobicContact CB-CZ2 4.19Å; A154-W401 HydrophobicContact CB-CZ3 3.7Å; A154-W401 WeakPolarHBondContact O-CH2 3.31Å; A154-W401 WeakPolarHBondContact O-CZ3 3.36Å
155	Y	97	Very high	97.6	Very high	14 Å²	14	26.4 Å²	26.4	6%	0.055	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-83.1	6.4	-178.5	-57.2	-72.8	0	0	0	115.3	T153 N157 C158 T205 I231 D274 F394 W399 W401	T153-Y155 PolarHBondContact O-N 3.48Å; T153-Y155 VanDerWaalsContact O-N 3.1Å; T153-Y155 PolarHBondContact OG1-N 3.3Å; Y155-N157 PolarHBondContact O-N 3.36Å; Y155-C158 HydrophobicContact CD1-CB 4.07Å; Y155-C158 WeakPolarHBondContact O-CB 3.36Å; Y155-C158 PolarHBondContact O-N 2.94Å; Y155-C158 PolarHBondContact O-SG 2.84Å; Y155-T205 WeakPolarHBondContact O-CB 3.21Å; Y155-T205 VanDerWaalsContact O-CG2 3.27Å; Y155-T205 WeakPolarHBondContact O-CG2 3.46Å; Y155-I231 HydrophobicContact CE2-CG1 3.76Å; Y155-D274 VanDerWaalsContact OH-CB 3.28Å; Y155-D274 WeakPolarHBondContact OH-CB 3.41Å; Y155-F394 AromaticContact CD1-CD1 3.67Å; Y155-F394 HydrophobicContact CD1-CD1 3.67Å; Y155-F394 AromaticContact CD1-CE1 3.7Å; Y155-F394 HydrophobicContact CD1-CE1 3.7Å; Y155-F394 AromaticContact CE1-CD1 3.92Å; Y155-F394 HydrophobicContact CE1-CD1 3.92Å; Y155-F394 HydrophobicContact CE1-CE1 4.41Å; Y155-F394 HydrophobicContact CG-CD1 4.11Å; Y155-F394 AromaticContact CG-CE1 3.82Å; Y155-F394 HydrophobicContact CG-CE1 3.82Å; Y155-W399 HydrophobicContact CD1-CE3 4.42Å; Y155-W399 HydrophobicContact CD1-CH2 4.46Å; Y155-W399 HydrophobicContact CD1-CZ3 4.36Å; Y155-W399 HydrophobicContact CE1-CD2 4.31Å; Y155-W399 AromaticContact CE1-CE3 3.76Å; Y155-W399 HydrophobicContact CE1-CE3 3.76Å; Y155-W399 HydrophobicContact CE1-CH2 4.24Å; Y155-W399 AromaticContact CE1-CZ3 3.72Å; Y155-W399 HydrophobicContact CE1-CZ3 3.72Å; Y155-W401 HydrophobicContact CD1-CH2 4.02Å; Y155-W401 HydrophobicContact CD1-CZ2 4.37Å; Y155-W401 HydrophobicContact CE1-CH2 4.03Å; Y155-W401 AromaticContact CE1-CZ2 3.91Å; Y155-W401 HydrophobicContact CE1-CZ2 3.91Å
156	S	97.1	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-60	-32.1	179.1	55.1	0	0	0	0	111.2	T153 A154 W200 A209 E212	T153-S156 PolarHBondContact O-N 2.94Å; T153-S156 VanDerWaalsContact O-N 3.11Å; T153-S156 PolarHBondContact O-OG 2.82Å; T153-S156 VanDerWaalsContact O-OG 3.12Å; A154-S156 VanDerWaalsContact C-N 3.3Å; A154-S156 PolarHBondContact O-N 2.86Å; S156-W200 PolarHBondContact O-NE1 3.31Å; S156-A209 WeakPolarHBondContact O-CB 3.47Å; S156-E212 WeakPolarHBondContact CB-OE1 3.32Å; S156-E212 PolarHBondContact OG-OE1 2.81Å; S156-E212 PolarHBondContact OG-OE2 3.46Å
157	N	97.2	Very high	97.5	Very high	4 Å²	4	28 Å²	28	2%	0.021	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-117.9	33.6	178.6	-60	-72.3	0	0	0	112.1	Y155 N159 L160 I163 Y168	Y155-N157 PolarHBondContact O-N 3.36Å; N157-N159 WeakPolarHBondContact CA-OD1 3.21Å; N157-N159 PolarHBondContact O-N 3.26Å; N157-N159 VanDerWaalsContact O-N 3.07Å; N157-N159 PolarHBondContact O-OD1 3.26Å; N157-L160 HydrophobicContact CB-CD1 4.36Å; N157-L160 WeakPolarHBondContact O-CB 3.39Å; N157-L160 PolarHBondContact O-N 3.36Å; N157-I163 HydrophobicContact CB-CG2 4.32Å; N157-I163 VanDerWaalsContact O-CD1 3.3Å; N157-I163 WeakPolarHBondContact O-CD1 3.42Å; N157-Y168 HydrophobicContact CB-CD2 4.02Å; N157-Y168 HydrophobicContact CB-CE2 4.37Å; N157-Y168 HydrophobicContact CB-CG 4.45Å; N157-Y168 VanDerWaalsContact CG-CD2 3.49Å; N157-Y168 WeakPolarHBondContact ND2-CD2 3.46Å; N157-Y168 WeakPolarHBondContact OD1-CB 3.43Å
158	C	96.5	Very high	97.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-7.3	-176.2	63.4	0	0	0	0	115.3	Y155 L160 P201 Y393 F394 W399	Y155-C158 HydrophobicContact CD1-CB 4.07Å; Y155-C158 WeakPolarHBondContact O-CB 3.36Å; Y155-C158 PolarHBondContact O-N 2.94Å; Y155-C158 PolarHBondContact O-SG 2.84Å; C158-L160 PolarHBondContact O-N 3.34Å; C158-P201 VanDerWaalsContact SG-CD 3.56Å; C158-Y393 HydrophobicContact CB-CE1 4.26Å; C158-Y393 PolarHBondContact O-OH 3Å; C158-Y393 VanDerWaalsContact O-OH 3.04Å; C158-F394 HydrophobicContact CB-CE1 4.48Å; C158-W399 HydrophobicContact CB-CZ2 3.92Å; C158-W399 PolarHBondContact O-NE1 2.85Å
159	N	95.4	Very high	97.2	Very high	50 Å²	50	35 Å²	35	27%	0.267	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.3	166.7	57.4	-54.3	0	0	0	112.5	N157 D199	N157-N159 WeakPolarHBondContact CA-OD1 3.21Å; N157-N159 PolarHBondContact O-N 3.26Å; N157-N159 VanDerWaalsContact O-N 3.07Å; N157-N159 PolarHBondContact O-OD1 3.26Å; N159-D199 HydrophobicContact CB-CB 3.9Å
160	L	96.5	Very high	96.9	Very high	64 Å²	64	35.6 Å²	35.6	34%	0.335	18%	0.184	S	C	.	.	S	Bend	trans	-89.5	158.5	170.6	-53.4	178.2	0	0	0	110.7	N157 C158 I163 Y168 W399	N157-L160 HydrophobicContact CB-CD1 4.36Å; N157-L160 WeakPolarHBondContact O-CB 3.39Å; N157-L160 PolarHBondContact O-N 3.36Å; C158-L160 PolarHBondContact O-N 3.34Å; L160-I163 HydrophobicContact CB-CG1 3.99Å; L160-Y168 HydrophobicContact CD1-CD1 3.79Å; L160-Y168 HydrophobicContact CD1-CE1 3.46Å; L160-Y168 VanDerWaalsContact CD1-CE1 3.46Å; L160-Y168 HydrophobicContact CD1-CG 4.45Å; L160-W399 PolarHBondContact O-NE1 2.91Å; L160-W399 VanDerWaalsContact O-NE1 3.15Å
161	K	94.9	Very high	96.4	Very high	182 Å²	182	39.2 Å²	39.2	79%	0.791	21%	0.208	S	C	*	.	S	Bend	trans	-89.6	-44	174.5	-69.9	-175.1	179.7	178.9	0	112.7	W399 E400	K161-W399 WeakPolarHBondContact O-CA 3.47Å; K161-E400 PolarHBondContact O-N 3.27Å
162	H	97.4	Very high	96.1	Very high	81 Å²	81	40.6 Å²	40.6	38%	0.375	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.7	175.6	-172.7	88.1	0	0	0	108.2	D164 E400 S402	H162-D164 IonicContact CD2-OD1 2.74Å; H162-D164 IonicContact CD2-OD2 3.97Å; H162-D164 IonicContact NE2-OD1 3.71Å; H162-D164 PolarHBondContact NE2-OD1 3.26Å; H162-E400 WeakPolarHBondContact CA-O 3.47Å; H162-E400 IonicContact ND1-OE2 3.09Å; H162-E400 PolarHBondContact ND1-OE2 3.34Å; H162-S402 PolarHBondContact NE2-OG 3.12Å; H162-S402 VanDerWaalsContact NE2-OG 3.17Å
163	I	97.9	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.5	-171.9	-59.9	159.1	0	0	0	108.3	N157 L160 Y168 H304 W399 E400 W401 S402	N157-I163 HydrophobicContact CB-CG2 4.32Å; N157-I163 VanDerWaalsContact O-CD1 3.3Å; N157-I163 WeakPolarHBondContact O-CD1 3.42Å; L160-I163 HydrophobicContact CB-CG1 3.99Å; I163-Y168 HydrophobicContact CG2-CE2 4.03Å; I163-H304 PolarHBondContact O-CE1 2.86Å; I163-W399 HydrophobicContact CD1-CG 4.27Å; I163-E400 PolarHBondContact N-O 2.83Å; I163-W401 HydrophobicContact CB-CE3 3.88Å; I163-W401 HydrophobicContact CB-CZ3 3.92Å; I163-W401 HydrophobicContact CD1-CE3 4.01Å; I163-W401 HydrophobicContact CD1-CH2 3.8Å; I163-W401 HydrophobicContact CD1-CZ3 3.24Å; I163-W401 HydrophobicContact CG1-CZ3 4.13Å; I163-W401 HydrophobicContact CG2-CE3 4.29Å; I163-W401 HydrophobicContact CG2-CZ3 4.17Å; I163-S402 PolarHBondContact O-N 3.45Å
164	D	97.9	Very high	95.7	Very high	55 Å²	55	44.5 Å²	44.5	29%	0.294	23%	0.234	S	C	.	.			trans	-87.1	159.7	-179.9	-68.6	-62	0	0	0	112.3	H162 V166 Y168 R228 H304 S402	H162-D164 IonicContact CD2-OD1 2.74Å; H162-D164 IonicContact CD2-OD2 3.97Å; H162-D164 IonicContact NE2-OD1 3.71Å; H162-D164 PolarHBondContact NE2-OD1 3.26Å; D164-V166 HydrophobicContact CB-CG1 4.4Å; D164-V166 HydrophobicContact CB-CG2 3.97Å; D164-V166 PolarHBondContact O-N 3.42Å; D164-Y168 WeakPolarHBondContact CB-OH 3.47Å; D164-Y168 PolarHBondContact N-OH 2.7Å; D164-R228 PolarHBondContact O-NH1 2.81Å; D164-H304 PolarHBondContact O-CE1 3.16Å; D164-S402 WeakPolarHBondContact OD1-CB 3.41Å; D164-S402 PolarHBondContact OD1-OG 2.63Å
165	E	98	Very high	95.5	Very high	15 Å²	15	50.8 Å²	50.8	7%	0.07	26%	0.261	C	S	.	.	S	Bend	trans	-75.7	53.8	172.6	-78.4	174.7	145	0	0	111.7	V302 Y303 H304 S402 T403 Y404 N405 T406	E165-V302 HydrophobicContact CB-CB 4.23Å; E165-V302 WeakPolarHBondContact CB-O 3.45Å; E165-V302 WeakPolarHBondContact CG-O 3.45Å; E165-Y303 WeakPolarHBondContact OE1-CA 3.35Å; E165-H304 HydrophobicContact CG-CB 4.12Å; E165-H304 PolarHBondContact OE1-N 2.68Å; E165-S402 WeakPolarHBondContact CG-O 3.29Å; E165-T403 VanDerWaalsContact OE2-C 3.28Å; E165-Y404 PolarHBondContact OE2-N 3.05Å; E165-N405 WeakPolarHBondContact OE2-CB 3.48Å; E165-N405 PolarHBondContact OE2-N 3.22Å; E165-T406 PolarHBondContact OE1-OG1 3Å
166	V	97.6	Very high	95.5	Very high	74 Å²	74	55.3 Å²	55.3	45%	0.448	28%	0.281	S	S	.	.	S	Bend	trans	-131.1	158.6	176	-57.9	0	0	0	0	110.4	D164 Y168 R228	D164-V166 HydrophobicContact CB-CG1 4.4Å; D164-V166 HydrophobicContact CB-CG2 3.97Å; D164-V166 PolarHBondContact O-N 3.42Å; V166-Y168 HydrophobicContact CG2-CD2 4.26Å; V166-Y168 HydrophobicContact CG2-CE1 4.26Å; V166-Y168 HydrophobicContact CG2-CE2 3.83Å; V166-Y168 WeakPolarHBondContact O-CD2 3.33Å; V166-R228 PolarHBondContact O-NH1 2.88Å; V166-R228 VanDerWaalsContact O-NH1 3.17Å; V166-R228 PolarHBondContact O-NH2 3.24Å
167	I	97.1	Very high	95.4	Very high	23 Å²	23	55.6 Å²	55.6	12%	0.118	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-83.4	123.2	172.5	-58.1	176.3	0	0	0	108.2	E212 Q216 I226 T300 V302	I167-E212 HydrophobicContact CG2-CB 4.27Å; I167-Q216 HydrophobicContact CD1-CB 3.77Å; I167-Q216 HydrophobicContact CD1-CG 4.13Å; I167-Q216 HydrophobicContact CG2-CB 4.35Å; I167-I226 HydrophobicContact CD1-CD1 3.53Å; I167-I226 HydrophobicContact CG1-CD1 3.86Å; I167-T300 HydrophobicContact CD1-CG2 4.25Å; I167-V302 HydrophobicContact CG1-CG2 3.92Å
168	Y	96.6	Very high	95.2	Very high	40 Å²	40	56.2 Å²	56.2	16%	0.157	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-90.4	140.6	-179.7	-70.8	-90.9	0	0	0	111	N157 L160 I163 D164 V166	N157-Y168 HydrophobicContact CB-CD2 4.02Å; N157-Y168 HydrophobicContact CB-CE2 4.37Å; N157-Y168 HydrophobicContact CB-CG 4.45Å; N157-Y168 VanDerWaalsContact CG-CD2 3.49Å; N157-Y168 WeakPolarHBondContact ND2-CD2 3.46Å; N157-Y168 WeakPolarHBondContact OD1-CB 3.43Å; L160-Y168 HydrophobicContact CD1-CD1 3.79Å; L160-Y168 HydrophobicContact CD1-CE1 3.46Å; L160-Y168 VanDerWaalsContact CD1-CE1 3.46Å; L160-Y168 HydrophobicContact CD1-CG 4.45Å; I163-Y168 HydrophobicContact CG2-CE2 4.03Å; D164-Y168 WeakPolarHBondContact CB-OH 3.47Å; D164-Y168 PolarHBondContact N-OH 2.7Å; V166-Y168 HydrophobicContact CG2-CD2 4.26Å; V166-Y168 HydrophobicContact CG2-CE1 4.26Å; V166-Y168 HydrophobicContact CG2-CE2 3.83Å; V166-Y168 WeakPolarHBondContact O-CD2 3.33Å
169	P	94.1	Very high	95.2	Very high	107 Å²	107	59.4 Å²	59.4	70%	0.695	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-71.2	138.5	174.1	29.8	-33.8	0	0	0	110.7
170	C	92	Very high	95.2	Very high	13 Å²	13	59.3 Å²	59.3	9%	0.088	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-90.6	152.5	168.2	-61.9	0	0	0	0	110.4	V172 L210 M213	C170-V172 PolarHBondContact O-N 2.81Å; C170-V172 VanDerWaalsContact O-N 3.16Å; C170-L210 HydrophobicContact CB-CD2 3.95Å; C170-M213 HydrophobicContact CB-SD 3.28Å; C170-M213 WeakPolarHBondContact CB-SD 3.41Å; C170-M213 PolarHBondContact N-SD 3.22Å; C170-M213 PolarHBondContact SG-SD 3.39Å
171	P	88.8	Confident	95	Very high	77 Å²	77	56.7 Å²	56.7	50%	0.5	29%	0.292	S	S	.	.	S	Bend	trans	-61.6	-23.7	179.8	-24.5	33.4	0	0	0	115	W200	P171-W200 HydrophobicContact CG-CZ3 4.39Å
172	V	91.4	Very high	94.9	Very high	41 Å²	41	54.7 Å²	54.7	25%	0.248	29%	0.286	C	S	.	.	S	Bend	trans	-127.9	132.2	-179.6	-174.4	0	0	0	0	108.1	C170 K176 I177 L196	C170-V172 PolarHBondContact O-N 2.81Å; C170-V172 VanDerWaalsContact O-N 3.16Å; V172-K176 HydrophobicContact CG1-CB 4.06Å; V172-I177 HydrophobicContact CB-CD1 4.13Å; V172-I177 HydrophobicContact CB-CG1 4.21Å; V172-I177 HydrophobicContact CG1-CD1 4.16Å; V172-I177 HydrophobicContact CG1-CG1 3.71Å; V172-L196 HydrophobicContact CG2-CD1 4.44Å
173	E	93.2	Very high	94.7	Very high	93 Å²	93	59.6 Å²	59.6	44%	0.435	30%	0.301	S	S	.	.			trans	-60.2	136.8	177	-70	160.7	-127.3	0	0	111.1	K175 K176 I177	E173-K175 PolarHBondContact O-N 2.84Å; E173-K175 VanDerWaalsContact O-N 3.15Å; E173-K176 HydrophobicContact CB-CD 4.25Å; E173-K176 HydrophobicContact CB-CG 4.35Å; E173-K176 PolarHBondContact O-N 2.91Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K176 IonicContact OE1-NZ 3.24Å; E173-K176 PolarHBondContact OE1-NZ 2.83Å; E173-K176 IonicContact OE2-NZ 3.45Å; E173-I177 PolarHBondContact O-N 3.14Å
174	P	95.1	Very high	94.6	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-52.1	-40	-179.8	-28.7	34.4	0	0	0	113.8	V129 K176 I177 I178 L210 M213 V214	V129-P174 HydrophobicContact CG1-CB 4.07Å; P174-K176 PolarHBondContact O-N 3.32Å; P174-I177 WeakPolarHBondContact O-CB 3.45Å; P174-I177 PolarHBondContact O-N 2.78Å; P174-I178 WeakPolarHBondContact O-CG1 3.38Å; P174-I178 PolarHBondContact O-N 3.17Å; P174-L210 HydrophobicContact CG-CD2 4.2Å; P174-M213 HydrophobicContact CG-CB 3.76Å; P174-M213 HydrophobicContact CG-SD 4.3Å; P174-V214 HydrophobicContact CB-CG2 3.55Å; P174-V214 HydrophobicContact CG-CG2 3.91Å
175	K	94.5	Very high	94.5	Very high	131 Å²	131	63.2 Å²	63.2	57%	0.57	32%	0.32	S	S	*	.	H	α-helix	trans	-59.9	-45.3	179.2	-172.7	179.3	177.7	-175.5	0	112.7	E173 I177 I178 D179	E173-K175 PolarHBondContact O-N 2.84Å; E173-K175 VanDerWaalsContact O-N 3.15Å; K175-I177 PolarHBondContact O-N 3.12Å; K175-I178 PolarHBondContact O-N 3.25Å; K175-D179 WeakPolarHBondContact O-CB 3.12Å; K175-D179 PolarHBondContact O-N 3.17Å
176	K	95.4	Very high	94.3	Very high	110 Å²	110	66.6 Å²	66.6	48%	0.478	34%	0.339	S	S	.	.	H	α-helix	trans	-60.5	-35.4	178.4	-69.3	174.6	178	159.9	0	111.8	V172 E173 P174 S180	V172-K176 HydrophobicContact CG1-CB 4.06Å; E173-K176 HydrophobicContact CB-CD 4.25Å; E173-K176 HydrophobicContact CB-CG 4.35Å; E173-K176 PolarHBondContact O-N 2.91Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K176 IonicContact OE1-NZ 3.24Å; E173-K176 PolarHBondContact OE1-NZ 2.83Å; E173-K176 IonicContact OE2-NZ 3.45Å; P174-K176 PolarHBondContact O-N 3.32Å; K176-S180 VanDerWaalsContact O-CB 3.28Å; K176-S180 WeakPolarHBondContact O-CB 3.36Å; K176-S180 PolarHBondContact O-N 3.29Å; K176-S180 PolarHBondContact O-OG 3.01Å
177	I	95.3	Very high	94.2	Very high	6 Å²	6	66.7 Å²	66.7	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-70.1	-48.6	176.4	-61	167.2	0	0	0	110.1	V125 V172 E173 P174 K175 D179 S180 L181 L196 Y206 L210	V125-I177 HydrophobicContact CG1-CG2 4.49Å; V125-I177 HydrophobicContact CG2-CG2 4.17Å; V172-I177 HydrophobicContact CB-CD1 4.13Å; V172-I177 HydrophobicContact CB-CG1 4.21Å; V172-I177 HydrophobicContact CG1-CD1 4.16Å; V172-I177 HydrophobicContact CG1-CG1 3.71Å; E173-I177 PolarHBondContact O-N 3.14Å; P174-I177 WeakPolarHBondContact O-CB 3.45Å; P174-I177 PolarHBondContact O-N 2.78Å; K175-I177 PolarHBondContact O-N 3.12Å; I177-D179 PolarHBondContact O-N 3.24Å; I177-S180 PolarHBondContact O-N 3.49Å; I177-L181 HydrophobicContact CG2-CD1 3.78Å; I177-L181 HydrophobicContact CG2-CG 4.23Å; I177-L181 VanDerWaalsContact O-CG 3.25Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.36Å; I177-L196 HydrophobicContact CG2-CD2 4.46Å; I177-Y206 HydrophobicContact CD1-CE1 4.48Å; I177-Y206 WeakPolarHBondContact CD1-OH 3.22Å; I177-L210 HydrophobicContact CD1-CD1 3.57Å; I177-L210 HydrophobicContact CD1-CD2 3.61Å; I177-L210 HydrophobicContact CD1-CG 4.25Å
178	I	94.6	Very high	94.2	Very high	17 Å²	17	69 Å²	69	9%	0.087	36%	0.359	C	S	.	.	H	α-helix	trans	-55.2	-55.3	177.7	-66.4	164.6	0	0	0	109.7	V125 V129 P174 K175 S180 L181 E182	V125-I178 HydrophobicContact CG1-CG1 3.96Å; V129-I178 HydrophobicContact CG1-CD1 4.1Å; P174-I178 WeakPolarHBondContact O-CG1 3.38Å; P174-I178 PolarHBondContact O-N 3.17Å; K175-I178 PolarHBondContact O-N 3.25Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.5Å; I178-L181 PolarHBondContact O-N 3.25Å; I178-L181 VanDerWaalsContact O-N 3.12Å; I178-E182 PolarHBondContact O-N 2.83Å; I178-E182 VanDerWaalsContact O-N 3.13Å
179	D	95.2	Very high	94.2	Very high	68 Å²	68	67.2 Å²	67.2	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-38.5	-178.4	-61.3	-7.2	0	0	0	111.5	K175 I177 W183	K175-D179 WeakPolarHBondContact O-CB 3.12Å; K175-D179 PolarHBondContact O-N 3.17Å; I177-D179 PolarHBondContact O-N 3.24Å; D179-W183 PolarHBondContact O-NE1 2.9Å
180	S	94.9	Very high	94.2	Very high	47 Å²	47	66.6 Å²	66.6	33%	0.329	34%	0.343	S	S	.	.	H	α-helix	trans	-67.7	-42.8	177.2	-60.7	0	0	0	0	112.4	K176 I177 I178 E182 L184	K176-S180 VanDerWaalsContact O-CB 3.28Å; K176-S180 WeakPolarHBondContact O-CB 3.36Å; K176-S180 PolarHBondContact O-N 3.29Å; K176-S180 PolarHBondContact O-OG 3.01Å; I177-S180 PolarHBondContact O-N 3.49Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.5Å; S180-E182 VanDerWaalsContact C-N 3.27Å; S180-E182 PolarHBondContact O-N 2.63Å; S180-L184 WeakPolarHBondContact O-CB 3.42Å; S180-L184 WeakPolarHBondContact O-CD1 3.34Å; S180-L184 WeakPolarHBondContact O-CG 3.31Å; S180-L184 PolarHBondContact O-N 2.88Å
181	L	94.2	Very high	94.4	Very high	9 Å²	9	73 Å²	73	5%	0.047	37%	0.372	C	S	.	.	H	α-helix	trans	-67.4	-30.4	-178.2	-67.1	176	0	0	0	111.1	L121 R122 V125 I177 I178 W183 I189	L121-L181 HydrophobicContact CD2-CD1 4.42Å; L121-L181 HydrophobicContact CD2-CD2 3.99Å; L121-L181 HydrophobicContact CG-CD1 4.15Å; L121-L181 HydrophobicContact CG-CD2 4.36Å; R122-L181 PolarHBondContact NH1-O 3.29Å; R122-L181 PolarHBondContact NH2-O 3.2Å; V125-L181 HydrophobicContact CB-CD1 3.72Å; V125-L181 HydrophobicContact CG1-CD1 3.89Å; V125-L181 HydrophobicContact CG2-CD1 3.65Å; I177-L181 HydrophobicContact CG2-CD1 3.78Å; I177-L181 HydrophobicContact CG2-CG 4.23Å; I177-L181 VanDerWaalsContact O-CG 3.25Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.36Å; I178-L181 PolarHBondContact O-N 3.25Å; I178-L181 VanDerWaalsContact O-N 3.12Å; L181-W183 VanDerWaalsContact C-N 3.28Å; L181-W183 PolarHBondContact O-N 3.47Å; L181-I189 HydrophobicContact CD2-CB 4.45Å; L181-I189 HydrophobicContact CD2-CD1 3.62Å; L181-I189 HydrophobicContact CD2-CG1 3.67Å; L181-I189 HydrophobicContact CD2-CG2 3.93Å
182	E	91.3	Very high	94.7	Very high	141 Å²	141	72.3 Å²	72.3	66%	0.659	36%	0.363	S	S	*	.	H	α-helix	trans	-55.8	-36.9	179.9	-75.5	-178.7	179	0	0	114.4	I178 S180	I178-E182 PolarHBondContact O-N 2.83Å; I178-E182 VanDerWaalsContact O-N 3.13Å; S180-E182 VanDerWaalsContact C-N 3.27Å; S180-E182 PolarHBondContact O-N 2.63Å
183	W	93.6	Very high	94.8	Very high	183 Å²	183	70.9 Å²	70.9	69%	0.693	35%	0.354	S	S	*	.	H	α-helix	trans	-111.2	-17.8	-175.4	63.9	-94.4	0	0	0	114.8	D179 L181	D179-W183 PolarHBondContact O-NE1 2.9Å; L181-W183 VanDerWaalsContact C-N 3.28Å; L181-W183 PolarHBondContact O-N 3.47Å
184	L	95.9	Very high	94.8	Very high	21 Å²	21	70.4 Å²	70.4	11%	0.11	36%	0.36	C	S	.	.	S	Bend	trans	-69.3	141.8	176.6	-76.1	170.3	0	0	0	111.5	R122 S180 I188 I189 I192	R122-L184 PolarHBondContact NH2-O 3.47Å; S180-L184 WeakPolarHBondContact O-CB 3.42Å; S180-L184 WeakPolarHBondContact O-CD1 3.34Å; S180-L184 WeakPolarHBondContact O-CG 3.31Å; S180-L184 PolarHBondContact O-N 2.88Å; L184-I188 HydrophobicContact CD2-CG2 3.92Å; L184-I189 HydrophobicContact CB-CD1 4.02Å; L184-I189 HydrophobicContact CB-CG1 3.78Å; L184-I189 HydrophobicContact CD1-CG1 4.44Å; L184-I192 HydrophobicContact CD1-CD1 3.88Å
185	D	95.6	Very high	94.7	Very high	111 Å²	111	78.3 Å²	78.3	59%	0.594	39%	0.394	S	S	*	.			trans	-69.9	149	171	-71.6	-56.8	0	0	0	112.2	A187 I188 I189	D185-A187 PolarHBondContact O-N 3.37Å; D185-I188 HydrophobicContact CB-CD1 4.25Å; D185-I188 HydrophobicContact CB-CG1 4.31Å; D185-I188 PolarHBondContact O-N 3.07Å; D185-I189 WeakPolarHBondContact O-CG1 3.43Å; D185-I189 PolarHBondContact O-N 2.85Å
186	D	94.4	Very high	94.7	Very high	86 Å²	86	74.1 Å²	74.1	46%	0.46	38%	0.377	S	S	.	.	H	α-helix	trans	-58.4	-35.3	-179.6	-74.5	-10.7	0	0	0	113	R122 I189 D190	R122-D186 IonicContact CZ-OD1 3.47Å; R122-D186 VanDerWaalsContact CZ-OD1 3.24Å; R122-D186 IonicContact NE-OD1 3.26Å; R122-D186 PolarHBondContact NE-OD1 2.81Å; R122-D186 IonicContact NH2-OD1 2.79Å; R122-D186 PolarHBondContact NH2-OD1 3.23Å; D186-I189 PolarHBondContact O-N 3.17Å; D186-D190 WeakPolarHBondContact O-CB 3.37Å; D186-D190 PolarHBondContact O-N 3.25Å
187	A	96.1	Very high	94.6	Very high	76 Å²	76	69.7 Å²	69.7	63%	0.628	36%	0.359	S	S	*	.	H	α-helix	trans	-65	-39.9	176.5	0	0	0	0	0	112.5	D185 E191	D185-A187 PolarHBondContact O-N 3.37Å; A187-E191 PolarHBondContact O-N 2.7Å
188	I	96	Very high	94.4	Very high	71 Å²	71	76.6 Å²	76.6	36%	0.364	38%	0.384	S	S	.	.	H	α-helix	trans	-69.2	-42.4	176.6	-59.6	173.6	0	0	0	109.4	L184 D185 D190 E191 I192	L184-I188 HydrophobicContact CD2-CG2 3.92Å; D185-I188 HydrophobicContact CB-CD1 4.25Å; D185-I188 HydrophobicContact CB-CG1 4.31Å; D185-I188 PolarHBondContact O-N 3.07Å; I188-D190 VanDerWaalsContact C-N 3.32Å; I188-D190 PolarHBondContact O-N 3.38Å; I188-E191 PolarHBondContact O-N 3.42Å; I188-E191 VanDerWaalsContact O-N 3.16Å; I188-I192 HydrophobicContact CG2-CG2 4.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 WeakPolarHBondContact O-CG2 3.25Å; I188-I192 PolarHBondContact O-N 3.47Å
189	I	96.3	Very high	94.3	Very high	2 Å²	2	81.3 Å²	81.3	1%	0.01	41%	0.41	C	S	.	.	H	α-helix	trans	-56.5	-47.8	176.2	-69.7	168	0	0	0	110.7	L121 L181 L184 D185 D186 E191 I192 T193	L121-I189 HydrophobicContact CB-CG2 3.83Å; L121-I189 HydrophobicContact CD2-CG2 4.1Å; L121-I189 HydrophobicContact CG-CG2 4.43Å; L181-I189 HydrophobicContact CD2-CB 4.45Å; L181-I189 HydrophobicContact CD2-CD1 3.62Å; L181-I189 HydrophobicContact CD2-CG1 3.67Å; L181-I189 HydrophobicContact CD2-CG2 3.93Å; L184-I189 HydrophobicContact CB-CD1 4.02Å; L184-I189 HydrophobicContact CB-CG1 3.78Å; L184-I189 HydrophobicContact CD1-CG1 4.44Å; D185-I189 WeakPolarHBondContact O-CG1 3.43Å; D185-I189 PolarHBondContact O-N 2.85Å; D186-I189 PolarHBondContact O-N 3.17Å; I189-E191 VanDerWaalsContact C-N 3.29Å; I189-E191 PolarHBondContact O-N 3.06Å; I189-I192 WeakPolarHBondContact O-CG1 3.33Å; I189-I192 PolarHBondContact O-N 3.49Å; I189-T193 VanDerWaalsContact O-CB 3.3Å; I189-T193 WeakPolarHBondContact O-CB 3.28Å; I189-T193 PolarHBondContact O-N 2.87Å; I189-T193 PolarHBondContact O-OG1 3.07Å
190	D	95.1	Very high	94.3	Very high	95 Å²	95	78.8 Å²	78.8	51%	0.508	40%	0.395	S	S	.	.	H	α-helix	trans	-61.9	-37.5	179	-76	-14.6	0	0	0	111.8	D186 I188 P194	D186-D190 WeakPolarHBondContact O-CB 3.37Å; D186-D190 PolarHBondContact O-N 3.25Å; I188-D190 VanDerWaalsContact C-N 3.32Å; I188-D190 PolarHBondContact O-N 3.38Å; D190-P194 WeakPolarHBondContact O-CD 3.32Å
191	E	95.7	Very high	94.3	Very high	148 Å²	148	78.7 Å²	78.7	69%	0.692	39%	0.393	S	S	*	.	H	α-helix	trans	-69.4	-40.5	177.4	-169.9	178.7	169.2	0	0	112.9	A187 I188 I189	A187-E191 PolarHBondContact O-N 2.7Å; I188-E191 PolarHBondContact O-N 3.42Å; I188-E191 VanDerWaalsContact O-N 3.16Å; I189-E191 VanDerWaalsContact C-N 3.29Å; I189-E191 PolarHBondContact O-N 3.06Å
192	I	94.4	Very high	94.4	Very high	61 Å²	61	78.8 Å²	78.8	31%	0.313	39%	0.394	S	S	.	.	H	α-helix	trans	-82.9	-22.4	-179.2	69.7	177.9	0	0	0	113.2	L184 I188 I189 K195 L196	L184-I192 HydrophobicContact CD1-CD1 3.88Å; I188-I192 HydrophobicContact CG2-CG2 4.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 WeakPolarHBondContact O-CG2 3.25Å; I188-I192 PolarHBondContact O-N 3.47Å; I189-I192 WeakPolarHBondContact O-CG1 3.33Å; I189-I192 PolarHBondContact O-N 3.49Å; I192-K195 WeakPolarHBondContact O-CA 3.32Å; I192-K195 WeakPolarHBondContact O-CB 3.38Å; I192-K195 PolarHBondContact O-N 2.98Å; I192-L196 PolarHBondContact O-N 3.37Å
193	T	95.3	Very high	94.5	Very high	11 Å²	11	73 Å²	73	7%	0.067	37%	0.368	C	S	.	.	H	α-helix	trans	-50.5	-48.2	-173.3	-73.6	0	0	0	0	113.1	L121 I189 K195 L196 I197 I203	L121-T193 HydrophobicContact CB-CG2 4.42Å; L121-T193 WeakPolarHBondContact CD2-OG1 3.21Å; I189-T193 VanDerWaalsContact O-CB 3.3Å; I189-T193 WeakPolarHBondContact O-CB 3.28Å; I189-T193 PolarHBondContact O-N 2.87Å; I189-T193 PolarHBondContact O-OG1 3.07Å; T193-K195 VanDerWaalsContact C-N 3.27Å; T193-K195 PolarHBondContact O-N 3.32Å; T193-L196 PolarHBondContact O-N 3.5Å; T193-L196 VanDerWaalsContact O-N 3.12Å; T193-I197 HydrophobicContact CG2-CG2 4.25Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 2.73Å; T193-I203 HydrophobicContact CG2-CD1 3.92Å; T193-I203 HydrophobicContact CG2-CG1 3.96Å
194	P	93.2	Very high	94.6	Very high	84 Å²	84	65.8 Å²	65.8	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-58.8	-36.3	177.8	-24.9	35.1	0	0	0	113.6	D190 R198	D190-P194 WeakPolarHBondContact O-CD 3.32Å; P194-R198 PolarHBondContact O-N 3.16Å
195	K	92.9	Very high	94.7	Very high	167 Å²	167	64.8 Å²	64.8	73%	0.726	34%	0.335	S	S	*	.	H	α-helix	trans	-76.2	-29.7	178.1	-64.3	178	-178.6	169.7	0	112.3	I192 T193 R198	I192-K195 WeakPolarHBondContact O-CA 3.32Å; I192-K195 WeakPolarHBondContact O-CB 3.38Å; I192-K195 PolarHBondContact O-N 2.98Å; T193-K195 VanDerWaalsContact C-N 3.27Å; T193-K195 PolarHBondContact O-N 3.32Å; K195-R198 WeakPolarHBondContact O-CG 3.13Å
196	L	93.2	Very high	94.7	Very high	42 Å²	42	59.6 Å²	59.6	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-75	-47.1	178.8	-174.9	69.8	0	0	0	111.7	L121 V172 I177 I192 T193 R198 Y206	L121-L196 HydrophobicContact CD2-CD2 3.5Å; V172-L196 HydrophobicContact CG2-CD1 4.44Å; I177-L196 HydrophobicContact CG2-CD2 4.46Å; I192-L196 PolarHBondContact O-N 3.37Å; T193-L196 PolarHBondContact O-N 3.5Å; T193-L196 VanDerWaalsContact O-N 3.12Å; L196-R198 VanDerWaalsContact C-N 3.33Å; L196-Y206 HydrophobicContact CD2-CE1 4.29Å; L196-Y206 HydrophobicContact CG-CE1 4.42Å
197	I	93.9	Very high	94.8	Very high	18 Å²	18	55.5 Å²	55.5	9%	0.092	29%	0.285	C	S	.	.	H	α-helix	trans	-80.1	-12.7	-177.8	75.4	176.5	0	0	0	113.2	T193 D199 W200 I203 Y206	T193-I197 HydrophobicContact CG2-CG2 4.25Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 2.73Å; I197-D199 PolarHBondContact O-N 3.01Å; I197-W200 HydrophobicContact CB-CB 4.46Å; I197-W200 WeakPolarHBondContact O-CB 3.42Å; I197-W200 PolarHBondContact O-N 3.19Å; I197-I203 HydrophobicContact CD1-CG1 4.43Å; I197-Y206 HydrophobicContact CB-CD1 4.33Å; I197-Y206 HydrophobicContact CB-CD2 4.3Å; I197-Y206 HydrophobicContact CB-CG 4.04Å; I197-Y206 HydrophobicContact CG2-CD1 3.51Å; I197-Y206 HydrophobicContact CG2-CD2 4.32Å; I197-Y206 HydrophobicContact CG2-CE1 3.91Å; I197-Y206 HydrophobicContact CG2-CG 3.71Å
198	R	91.5	Very high	94.9	Very high	150 Å²	150	52 Å²	52	57%	0.566	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	-111.3	171.4	-57.9	-178.9	-177.6	-177.6	1.2	113.5	P194 K195 L196 W200	P194-R198 PolarHBondContact O-N 3.16Å; K195-R198 WeakPolarHBondContact O-CG 3.13Å; L196-R198 VanDerWaalsContact C-N 3.33Å; R198-W200 VanDerWaalsContact C-N 3.33Å
199	D	92.4	Very high	95	Very high	116 Å²	116	48.7 Å²	48.7	62%	0.62	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.5	-172.4	-57	-45.1	0	0	0	113.4	N159 I197	N159-D199 HydrophobicContact CB-CB 3.9Å; I197-D199 PolarHBondContact O-N 3.01Å
200	W	95.5	Very high	95.1	Very high	16 Å²	16	48.7 Å²	48.7	6%	0.061	24%	0.239	C	C	.	.			trans	-71.3	131.7	174.6	-77.8	-92.8	0	0	0	110.2	S156 P171 I197 R198 N202 Y206 A209	S156-W200 PolarHBondContact O-NE1 3.31Å; P171-W200 HydrophobicContact CG-CZ3 4.39Å; I197-W200 HydrophobicContact CB-CB 4.46Å; I197-W200 WeakPolarHBondContact O-CB 3.42Å; I197-W200 PolarHBondContact O-N 3.19Å; R198-W200 VanDerWaalsContact C-N 3.33Å; W200-N202 PolarHBondContact O-N 2.92Å; W200-Y206 AromaticContact CD2-CD2 3.82Å; W200-Y206 HydrophobicContact CD2-CD2 3.82Å; W200-Y206 AromaticContact CE3-CD2 3.87Å; W200-Y206 HydrophobicContact CE3-CD2 3.87Å; W200-Y206 HydrophobicContact CE3-CE2 4.38Å; W200-Y206 HydrophobicContact CG-CD2 4.18Å; W200-Y206 HydrophobicContact CZ3-CD2 4.29Å; W200-Y206 HydrophobicContact CZ3-CE2 4.43Å; W200-A209 HydrophobicContact CZ2-CB 4.12Å
201	P	94.3	Very high	95.2	Very high	44 Å²	44	44.1 Å²	44.1	29%	0.286	22%	0.215	S	C	.	.	S	Bend	trans	-70.8	-17.5	-174.5	29.8	-38.7	0	0	0	114.3	C158 T205 Y393 F394	C158-P201 VanDerWaalsContact SG-CD 3.56Å; P201-T205 WeakPolarHBondContact CD-OG1 2.97Å; P201-T205 HydrophobicContact CG-CG2 4.46Å; P201-Y393 HydrophobicContact CB-CD1 3.63Å; P201-Y393 HydrophobicContact CB-CD2 3.5Å; P201-Y393 HydrophobicContact CB-CE1 3.96Å; P201-Y393 HydrophobicContact CB-CE2 3.85Å; P201-Y393 HydrophobicContact CB-CG 3.38Å; P201-Y393 HydrophobicContact CG-CD1 3.57Å; P201-Y393 HydrophobicContact CG-CD2 4.28Å; P201-Y393 HydrophobicContact CG-CE1 3.63Å; P201-Y393 HydrophobicContact CG-CE2 4.33Å; P201-Y393 HydrophobicContact CG-CG 3.9Å; P201-F394 HydrophobicContact CG-CE1 4.46Å; P201-F394 HydrophobicContact CG-CE2 4.47Å; P201-F394 HydrophobicContact CG-CZ 3.86Å
202	N	95	Very high	95.3	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.064	18%	0.182	C	C	.	.	S	Bend	trans	-163.2	162.3	-179.2	56.6	67.3	0	0	0	111.6	F117 W200 Y204 T205 Y206 F394	F117-N202 HydrophobicContact CB-CB 4.11Å; F117-N202 HydrophobicContact CG-CB 4.27Å; W200-N202 PolarHBondContact O-N 2.92Å; N202-Y204 PolarHBondContact O-N 3.35Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.42Å; N202-Y204 PolarHBondContact OD1-N 3.32Å; N202-T205 PolarHBondContact O-N 3.05Å; N202-T205 PolarHBondContact O-OG1 2.76Å; N202-T205 PolarHBondContact OD1-N 2.67Å; N202-T205 PolarHBondContact OD1-OG1 3.01Å; N202-Y206 PolarHBondContact O-N 2.93Å; N202-F394 WeakPolarHBondContact ND2-CE2 3.35Å; N202-F394 WeakPolarHBondContact ND2-CZ 3.35Å
203	I	95.4	Very high	95.4	Very high	20 Å²	20	35 Å²	35	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-33.3	-179.8	-65.6	162.6	0	0	0	112.1	D119 L121 A124 T193 I197 T207	D119-I203 WeakPolarHBondContact O-CD1 3.39Å; L121-I203 HydrophobicContact CD1-CG2 4.04Å; A124-I203 HydrophobicContact CB-CG2 3.39Å; T193-I203 HydrophobicContact CG2-CD1 3.92Å; T193-I203 HydrophobicContact CG2-CG1 3.96Å; I197-I203 HydrophobicContact CD1-CG1 4.43Å; I203-T207 HydrophobicContact CG2-CG2 4.02Å; I203-T207 WeakPolarHBondContact O-CB 3.22Å; I203-T207 VanDerWaalsContact O-CG2 3.32Å; I203-T207 WeakPolarHBondContact O-CG2 3.31Å; I203-T207 PolarHBondContact O-N 3.34Å; I203-T207 PolarHBondContact O-OG1 3.43Å
204	Y	95.6	Very high	95.5	Very high	30 Å²	30	34.6 Å²	34.6	12%	0.118	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-55.6	178.5	166.1	-106.1	0	0	0	111.6	T114 V115 F117 T153 N202 Y206 T207 K208	T114-Y204 WeakPolarHBondContact O-CD2 3.49Å; T114-Y204 WeakPolarHBondContact O-CE2 3.49Å; V115-Y204 HydrophobicContact CB-CD2 4.46Å; V115-Y204 HydrophobicContact CB-CE2 4.15Å; V115-Y204 HydrophobicContact CG1-CE2 3.87Å; F117-Y204 HydrophobicContact CD1-CD1 4.13Å; F117-Y204 HydrophobicContact CD1-CG 4.18Å; F117-Y204 AromaticContact CE1-CD1 3.51Å; F117-Y204 HydrophobicContact CE1-CD1 3.51Å; F117-Y204 HydrophobicContact CE1-CE1 4.27Å; F117-Y204 AromaticContact CE1-CG 3.99Å; F117-Y204 HydrophobicContact CE1-CG 3.99Å; F117-Y204 HydrophobicContact CZ-CD1 4.48Å; T153-Y204 HydrophobicContact CG2-CE1 3.95Å; N202-Y204 PolarHBondContact O-N 3.35Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.42Å; N202-Y204 PolarHBondContact OD1-N 3.32Å; Y204-Y206 VanDerWaalsContact C-N 3.3Å; Y204-Y206 PolarHBondContact O-N 2.9Å; Y204-T207 PolarHBondContact O-N 3.5Å; Y204-T207 PolarHBondContact O-OG1 3Å; Y204-T207 VanDerWaalsContact O-OG1 3.12Å; Y204-K208 HydrophobicContact CD2-CG 3.96Å; Y204-K208 HydrophobicContact CE1-CG 4.46Å; Y204-K208 HydrophobicContact CE2-CD 3.92Å; Y204-K208 HydrophobicContact CE2-CG 3.56Å; Y204-K208 WeakPolarHBondContact O-CG 3.18Å; Y204-K208 PolarHBondContact O-N 3.21Å
205	T	96.4	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-41.1	-179.4	52	0	0	0	0	112.2	Y155 P201 N202 K208 A209 F394	Y155-T205 WeakPolarHBondContact O-CB 3.21Å; Y155-T205 VanDerWaalsContact O-CG2 3.27Å; Y155-T205 WeakPolarHBondContact O-CG2 3.46Å; P201-T205 WeakPolarHBondContact CD-OG1 2.97Å; P201-T205 HydrophobicContact CG-CG2 4.46Å; N202-T205 PolarHBondContact O-N 3.05Å; N202-T205 PolarHBondContact O-OG1 2.76Å; N202-T205 PolarHBondContact OD1-N 2.67Å; N202-T205 PolarHBondContact OD1-OG1 3.01Å; T205-K208 PolarHBondContact O-N 3.28Å; T205-A209 PolarHBondContact O-N 3.07Å; T205-A209 VanDerWaalsContact O-N 3.11Å; T205-F394 HydrophobicContact CG2-CE1 4.27Å; T205-F394 HydrophobicContact CG2-CZ 3.83Å
206	Y	96.5	Very high	95.8	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-50.5	175.8	176.7	-111.6	0	0	0	112.7	L121 I177 L196 I197 W200 N202 Y204 K208 A209 L210	L121-Y206 HydrophobicContact CD1-CD1 4.25Å; L121-Y206 HydrophobicContact CD1-CE1 4.24Å; I177-Y206 HydrophobicContact CD1-CE1 4.48Å; I177-Y206 WeakPolarHBondContact CD1-OH 3.22Å; L196-Y206 HydrophobicContact CD2-CE1 4.29Å; L196-Y206 HydrophobicContact CG-CE1 4.42Å; I197-Y206 HydrophobicContact CB-CD1 4.33Å; I197-Y206 HydrophobicContact CB-CD2 4.3Å; I197-Y206 HydrophobicContact CB-CG 4.04Å; I197-Y206 HydrophobicContact CG2-CD1 3.51Å; I197-Y206 HydrophobicContact CG2-CD2 4.32Å; I197-Y206 HydrophobicContact CG2-CE1 3.91Å; I197-Y206 HydrophobicContact CG2-CG 3.71Å; W200-Y206 AromaticContact CD2-CD2 3.82Å; W200-Y206 HydrophobicContact CD2-CD2 3.82Å; W200-Y206 AromaticContact CE3-CD2 3.87Å; W200-Y206 HydrophobicContact CE3-CD2 3.87Å; W200-Y206 HydrophobicContact CE3-CE2 4.38Å; W200-Y206 HydrophobicContact CG-CD2 4.18Å; W200-Y206 HydrophobicContact CZ3-CD2 4.29Å; W200-Y206 HydrophobicContact CZ3-CE2 4.43Å; N202-Y206 PolarHBondContact O-N 2.93Å; Y204-Y206 VanDerWaalsContact C-N 3.3Å; Y204-Y206 PolarHBondContact O-N 2.9Å; Y206-K208 VanDerWaalsContact C-N 3.3Å; Y206-K208 PolarHBondContact O-N 3.02Å; Y206-A209 WeakPolarHBondContact O-CB 3.06Å; Y206-A209 PolarHBondContact O-N 3.34Å; Y206-A209 VanDerWaalsContact O-N 3.16Å; Y206-L210 HydrophobicContact CD1-CD1 4Å; Y206-L210 HydrophobicContact CE1-CD1 3.48Å; Y206-L210 VanDerWaalsContact CE1-CD1 3.48Å; Y206-L210 HydrophobicContact CE1-CG 4.28Å; Y206-L210 HydrophobicContact CE2-CD1 4.45Å; Y206-L210 HydrophobicContact CE2-CG 4.44Å; Y206-L210 PolarHBondContact O-N 2.94Å
207	T	97.1	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.3	-25.4	-178.9	55.1	0	0	0	0	113.1	L121 A124 V125 N128 I203 Y204 G211	L121-T207 HydrophobicContact CD1-CG2 4.4Å; A124-T207 HydrophobicContact CB-CG2 3.85Å; V125-T207 HydrophobicContact CG2-CG2 3.78Å; N128-T207 PolarHBondContact ND2-OG1 3.07Å; I203-T207 HydrophobicContact CG2-CG2 4.02Å; I203-T207 WeakPolarHBondContact O-CB 3.22Å; I203-T207 VanDerWaalsContact O-CG2 3.32Å; I203-T207 WeakPolarHBondContact O-CG2 3.31Å; I203-T207 PolarHBondContact O-N 3.34Å; I203-T207 PolarHBondContact O-OG1 3.43Å; Y204-T207 PolarHBondContact O-N 3.5Å; Y204-T207 PolarHBondContact O-OG1 3Å; Y204-T207 VanDerWaalsContact O-OG1 3.12Å; T207-G211 PolarHBondContact O-N 2.98Å
208	K	97.8	Very high	95.8	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-69	-39.5	169.4	-68.4	-58.1	-64.9	164	0	112	H150 I151 S152 T153 Y204 T205 Y206 G211 E212	H150-K208 PolarHBondContact NE2-NZ 3.46Å; I151-K208 PolarHBondContact O-NZ 2.88Å; S152-K208 VanDerWaalsContact CA-CE 3.41Å; T153-K208 HydrophobicContact CG2-CB 3.92Å; T153-K208 HydrophobicContact CG2-CG 3.93Å; Y204-K208 HydrophobicContact CD2-CG 3.96Å; Y204-K208 HydrophobicContact CE1-CG 4.46Å; Y204-K208 HydrophobicContact CE2-CD 3.92Å; Y204-K208 HydrophobicContact CE2-CG 3.56Å; Y204-K208 WeakPolarHBondContact O-CG 3.18Å; Y204-K208 PolarHBondContact O-N 3.21Å; T205-K208 PolarHBondContact O-N 3.28Å; Y206-K208 VanDerWaalsContact C-N 3.3Å; Y206-K208 PolarHBondContact O-N 3.02Å; K208-G211 PolarHBondContact O-N 3.18Å; K208-E212 WeakPolarHBondContact O-CG 3.39Å; K208-E212 PolarHBondContact O-N 3.19Å; K208-E212 VanDerWaalsContact O-N 3.1Å
209	A	97.6	Very high	95.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-44.7	172.1	0	0	0	0	0	111.8	S156 W200 T205 Y206 G211 E212 M213	S156-A209 WeakPolarHBondContact O-CB 3.47Å; W200-A209 HydrophobicContact CZ2-CB 4.12Å; T205-A209 PolarHBondContact O-N 3.07Å; T205-A209 VanDerWaalsContact O-N 3.11Å; Y206-A209 WeakPolarHBondContact O-CB 3.06Å; Y206-A209 PolarHBondContact O-N 3.34Å; Y206-A209 VanDerWaalsContact O-N 3.16Å; A209-G211 VanDerWaalsContact C-N 3.32Å; A209-G211 PolarHBondContact O-N 2.95Å; A209-E212 PolarHBondContact O-N 3.37Å; A209-M213 PolarHBondContact O-N 2.84Å; A209-M213 VanDerWaalsContact O-N 3.17Å
210	L	97.4	Very high	95.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-39.9	174.2	-67.9	177.3	0	0	0	112.7	V129 C170 P174 I177 Y206 E212 M213 V214	V129-L210 HydrophobicContact CG1-CB 4.22Å; V129-L210 HydrophobicContact CG2-CB 3.67Å; V129-L210 HydrophobicContact CG2-CD1 4.32Å; C170-L210 HydrophobicContact CB-CD2 3.95Å; P174-L210 HydrophobicContact CG-CD2 4.2Å; I177-L210 HydrophobicContact CD1-CD1 3.57Å; I177-L210 HydrophobicContact CD1-CD2 3.61Å; I177-L210 HydrophobicContact CD1-CG 4.25Å; Y206-L210 HydrophobicContact CD1-CD1 4Å; Y206-L210 HydrophobicContact CE1-CD1 3.48Å; Y206-L210 VanDerWaalsContact CE1-CD1 3.48Å; Y206-L210 HydrophobicContact CE1-CG 4.28Å; Y206-L210 HydrophobicContact CE2-CD1 4.45Å; Y206-L210 HydrophobicContact CE2-CG 4.44Å; Y206-L210 PolarHBondContact O-N 2.94Å; L210-E212 VanDerWaalsContact C-N 3.32Å; L210-E212 PolarHBondContact O-N 2.93Å; L210-M213 WeakPolarHBondContact O-CB 3.4Å; L210-M213 PolarHBondContact O-N 2.94Å; L210-V214 PolarHBondContact O-N 2.94Å
211	G	97.6	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-39.9	176.4	0	0	0	0	0	112.6	T207 K208 A209 V214 V215	T207-G211 PolarHBondContact O-N 2.98Å; K208-G211 PolarHBondContact O-N 3.18Å; A209-G211 VanDerWaalsContact C-N 3.32Å; A209-G211 PolarHBondContact O-N 2.95Å; G211-V214 PolarHBondContact O-N 3.4Å; G211-V215 WeakPolarHBondContact O-CG2 3.46Å; G211-V215 PolarHBondContact O-N 3.27Å
212	E	98	Very high	95	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-65.4	-39	174.7	-66.1	174.3	-177.2	0	0	112.5	S152 S156 I167 K208 A209 L210 V214 V215 Q216 I226 R228	S152-E212 WeakPolarHBondContact CB-OE1 3.48Å; S152-E212 WeakPolarHBondContact OG-CG 3.3Å; S152-E212 PolarHBondContact OG-OE1 3.19Å; S156-E212 WeakPolarHBondContact CB-OE1 3.32Å; S156-E212 PolarHBondContact OG-OE1 2.81Å; S156-E212 PolarHBondContact OG-OE2 3.46Å; I167-E212 HydrophobicContact CG2-CB 4.27Å; K208-E212 WeakPolarHBondContact O-CG 3.39Å; K208-E212 PolarHBondContact O-N 3.19Å; K208-E212 VanDerWaalsContact O-N 3.1Å; A209-E212 PolarHBondContact O-N 3.37Å; L210-E212 VanDerWaalsContact C-N 3.32Å; L210-E212 PolarHBondContact O-N 2.93Å; E212-V214 VanDerWaalsContact C-N 3.34Å; E212-V215 WeakPolarHBondContact O-CB 3.5Å; E212-V215 PolarHBondContact O-N 3.09Å; E212-Q216 PolarHBondContact O-N 3.1Å; E212-I226 HydrophobicContact CB-CD1 4.17Å; E212-I226 HydrophobicContact CG-CD1 4.2Å; E212-I226 HydrophobicContact CG-CG2 4.26Å; E212-R228 IonicContact OE1-CZ 3.53Å; E212-R228 IonicContact OE1-NE 3.42Å; E212-R228 PolarHBondContact OE1-NE 3.24Å; E212-R228 IonicContact OE1-NH2 2.76Å; E212-R228 IonicContact OE2-CZ 4Å; E212-R228 IonicContact OE2-NE 2.64Å; E212-R228 PolarHBondContact OE2-NE 2.93Å; E212-R228 IonicContact OE2-NH2 3.34Å; E212-R228 PolarHBondContact OE2-NH2 3.45Å
213	M	96.9	Very high	95.1	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-41.1	173.7	-73.1	-169.3	77.4	0	0	112.3	C170 P174 A209 L210 V215 Q216 Q217	C170-M213 HydrophobicContact CB-SD 3.28Å; C170-M213 WeakPolarHBondContact CB-SD 3.41Å; C170-M213 PolarHBondContact N-SD 3.22Å; C170-M213 PolarHBondContact SG-SD 3.39Å; P174-M213 HydrophobicContact CG-CB 3.76Å; P174-M213 HydrophobicContact CG-SD 4.3Å; A209-M213 PolarHBondContact O-N 2.84Å; A209-M213 VanDerWaalsContact O-N 3.17Å; L210-M213 WeakPolarHBondContact O-CB 3.4Å; L210-M213 PolarHBondContact O-N 2.94Å; M213-V215 VanDerWaalsContact C-N 3.28Å; M213-V215 PolarHBondContact O-N 3.4Å; M213-Q216 WeakPolarHBondContact O-CB 3.47Å; M213-Q216 PolarHBondContact O-N 2.8Å; M213-Q216 VanDerWaalsContact O-N 3.17Å; M213-Q217 WeakPolarHBondContact O-CB 3.43Å; M213-Q217 VanDerWaalsContact O-CG 3.29Å; M213-Q217 WeakPolarHBondContact O-CG 3.5Å; M213-Q217 PolarHBondContact O-N 2.8Å
214	V	97.2	Very high	95.2	Very high	2 Å²	2	33 Å²	33	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-42	174.7	162.9	0	0	0	0	110.9	V129 T132 R133 L136 P174 L210 G211 E212 Q216 Q217 E218	V129-V214 HydrophobicContact CG1-CG2 3.53Å; T132-V214 HydrophobicContact CG2-CG1 4.37Å; R133-V214 HydrophobicContact CB-CG1 3.55Å; R133-V214 HydrophobicContact CG-CG1 4.21Å; L136-V214 HydrophobicContact CD1-CG1 4.06Å; P174-V214 HydrophobicContact CB-CG2 3.55Å; P174-V214 HydrophobicContact CG-CG2 3.91Å; L210-V214 PolarHBondContact O-N 2.94Å; G211-V214 PolarHBondContact O-N 3.4Å; E212-V214 VanDerWaalsContact C-N 3.34Å; V214-Q216 VanDerWaalsContact C-N 3.27Å; V214-Q216 PolarHBondContact O-N 3.43Å; V214-Q217 PolarHBondContact O-N 3.35Å; V214-E218 HydrophobicContact CG1-CG 4.41Å; V214-E218 WeakPolarHBondContact O-CB 3.38Å; V214-E218 PolarHBondContact O-N 3.37Å
215	V	97.3	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-43.2	174.9	170	0	0	0	0	111.3	T132 L136 H150 G211 E212 M213 S219 I224 I226 T300	T132-V215 HydrophobicContact CG2-CG2 3.82Å; L136-V215 HydrophobicContact CD1-CB 4.4Å; L136-V215 HydrophobicContact CD1-CG2 4.03Å; H150-V215 HydrophobicContact CB-CG2 4.09Å; G211-V215 WeakPolarHBondContact O-CG2 3.46Å; G211-V215 PolarHBondContact O-N 3.27Å; E212-V215 WeakPolarHBondContact O-CB 3.5Å; E212-V215 PolarHBondContact O-N 3.09Å; M213-V215 VanDerWaalsContact C-N 3.28Å; M213-V215 PolarHBondContact O-N 3.4Å; V215-S219 WeakPolarHBondContact O-CB 3.35Å; V215-S219 PolarHBondContact O-N 3.1Å; V215-I224 HydrophobicContact CG1-CD1 4.37Å; V215-I224 HydrophobicContact CG1-CG2 3.5Å; V215-I224 VanDerWaalsContact CG1-CG2 3.5Å; V215-I226 HydrophobicContact CB-CD1 4.22Å; V215-I226 HydrophobicContact CG1-CD1 3.88Å; V215-I226 HydrophobicContact CG1-CG1 4Å; V215-T300 HydrophobicContact CG1-CG2 4.37Å
216	Q	94.8	Very high	95.5	Very high	97 Å²	97	31.5 Å²	31.5	45%	0.453	15%	0.152	S	C	.	.	H	α-helix	trans	-67.1	-42.6	176.6	-167.5	177.5	39.2	0	0	112.8	I167 E212 M213 V214 S219	I167-Q216 HydrophobicContact CD1-CB 3.77Å; I167-Q216 HydrophobicContact CD1-CG 4.13Å; I167-Q216 HydrophobicContact CG2-CB 4.35Å; E212-Q216 PolarHBondContact O-N 3.1Å; M213-Q216 WeakPolarHBondContact O-CB 3.47Å; M213-Q216 PolarHBondContact O-N 2.8Å; M213-Q216 VanDerWaalsContact O-N 3.17Å; V214-Q216 VanDerWaalsContact C-N 3.27Å; V214-Q216 PolarHBondContact O-N 3.43Å; Q216-S219 PolarHBondContact O-OG 3.48Å
217	Q	94.4	Very high	95.6	Very high	94 Å²	94	31.4 Å²	31.4	44%	0.439	15%	0.152	S	C	.	.	H	α-helix	trans	-70.8	-35.6	-176	-73.6	175.3	-13	0	0	112.8	M213 V214	M213-Q217 WeakPolarHBondContact O-CB 3.43Å; M213-Q217 VanDerWaalsContact O-CG 3.29Å; M213-Q217 WeakPolarHBondContact O-CG 3.5Å; M213-Q217 PolarHBondContact O-N 2.8Å; V214-Q217 PolarHBondContact O-N 3.35Å
218	E	93.7	Very high	95.7	Very high	29 Å²	29	31.4 Å²	31.4	14%	0.136	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	15.6	-177.1	-57.6	-73.9	-177.8	0	0	111.8	R133 L136 V214 R220	R133-E218 HydrophobicContact CG-CG 4.13Å; R133-E218 IonicContact CZ-OE1 2.89Å; R133-E218 IonicContact NE-OE1 3.63Å; R133-E218 PolarHBondContact NE-OE1 3.38Å; R133-E218 IonicContact NH2-OE1 3.33Å; R133-E218 PolarHBondContact NH2-OE1 3.03Å; L136-E218 HydrophobicContact CB-CB 4.11Å; L136-E218 HydrophobicContact CD1-CB 4.04Å; V214-E218 HydrophobicContact CG1-CG 4.41Å; V214-E218 WeakPolarHBondContact O-CB 3.38Å; V214-E218 PolarHBondContact O-N 3.37Å; E218-R220 VanDerWaalsContact C-N 3.27Å; E218-R220 PolarHBondContact O-N 3.1Å; E218-R220 IonicContact OE2-NH2 3.9Å
219	S	87.7	Confident	95.7	Very high	33 Å²	33	31.6 Å²	31.6	23%	0.231	15%	0.153	C	C	.	.			trans	-62.9	-32.7	-174.6	69.3	0	0	0	0	113.2	V215 Q216 N221 L222	V215-S219 WeakPolarHBondContact O-CB 3.35Å; V215-S219 PolarHBondContact O-N 3.1Å; Q216-S219 PolarHBondContact O-OG 3.48Å; S219-N221 PolarHBondContact O-N 3.19Å; S219-L222 VanDerWaalsContact O-CB 3.27Å; S219-L222 WeakPolarHBondContact O-CB 3.25Å; S219-L222 PolarHBondContact O-N 3.36Å
220	R	84.8	Confident	95.7	Very high	151 Å²	151	31.7 Å²	31.7	57%	0.57	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.9	-125.8	179.6	-60.3	-178.3	-178.6	-165.8	-3.8	111	L137 E218	L137-R220 VanDerWaalsContact CD2-NH2 3.32Å; E218-R220 VanDerWaalsContact C-N 3.27Å; E218-R220 PolarHBondContact O-N 3.1Å; E218-R220 IonicContact OE2-NH2 3.9Å
221	N	87.6	Confident	95.6	Very high	166 Å²	166	33.5 Å²	33.5	89%	0.888	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	14.6	177	-63.7	-20	0	0	0	113	S219	S219-N221 PolarHBondContact O-N 3.19Å
222	L	96.2	Very high	95.6	Very high	30 Å²	30	35.4 Å²	35.4	16%	0.157	18%	0.175	C	C	.	.			trans	-80.9	138.5	-177.5	-62.7	178.3	0	0	0	110.9	L136 A139 L145 S219 I224	L136-L222 HydrophobicContact CD2-CD1 4.22Å; A139-L222 HydrophobicContact CB-CD1 3.99Å; L145-L222 HydrophobicContact CD2-CD2 3.73Å; S219-L222 VanDerWaalsContact O-CB 3.27Å; S219-L222 WeakPolarHBondContact O-CB 3.25Å; S219-L222 PolarHBondContact O-N 3.36Å; L222-I224 HydrophobicContact CB-CD1 3.81Å; L222-I224 HydrophobicContact CB-CG1 3.68Å; L222-I224 HydrophobicContact CD1-CD1 4.34Å; L222-I224 PolarHBondContact O-N 3.22Å
223	N	97.6	Very high	95.6	Very high	27 Å²	27	35.4 Å²	35.4	14%	0.144	18%	0.175	C	C	.	.			trans	-78.3	101.6	168.2	-54.4	-48.2	0	0	0	108.5	E146 A147 F148 T292	E146-N223 WeakPolarHBondContact O-CB 3.49Å; E146-N223 PolarHBondContact O-ND2 2.79Å; A147-N223 WeakPolarHBondContact CA-O 3.32Å; F148-N223 PolarHBondContact N-O 3.39Å; N223-T292 HydrophobicContact CB-CG2 3.75Å; N223-T292 WeakPolarHBondContact O-CG2 3.47Å
224	I	98.2	Very high	95.7	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.4	-175.4	-56	163.5	0	0	0	110.9	L136 F148 V215 L222 T300	L136-I224 HydrophobicContact CD2-CD1 3.8Å; F148-I224 HydrophobicContact CB-CG1 4.05Å; F148-I224 HydrophobicContact CD1-CG1 4.48Å; F148-I224 HydrophobicContact CD1-CG2 4.05Å; F148-I224 HydrophobicContact CG-CG1 4.48Å; F148-I224 VanDerWaalsContact O-CA 3.3Å; F148-I224 WeakPolarHBondContact O-CA 3.45Å; F148-I224 WeakPolarHBondContact O-CG2 3.44Å; V215-I224 HydrophobicContact CG1-CD1 4.37Å; V215-I224 HydrophobicContact CG1-CG2 3.5Å; V215-I224 VanDerWaalsContact CG1-CG2 3.5Å; L222-I224 HydrophobicContact CB-CD1 3.81Å; L222-I224 HydrophobicContact CB-CG1 3.68Å; L222-I224 HydrophobicContact CD1-CD1 4.34Å; L222-I224 PolarHBondContact O-N 3.22Å; I224-T300 HydrophobicContact CB-CG2 4.22Å; I224-T300 HydrophobicContact CG2-CG2 4.01Å
225	A	98.6	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.6	163.3	0	0	0	0	0	111.5	F148 I149 H150 V288 T292 L301 Y303	F148-A225 PolarHBondContact O-N 3.14Å; F148-A225 VanDerWaalsContact O-N 3.07Å; I149-A225 HydrophobicContact CD1-CB 4.01Å; H150-A225 PolarHBondContact N-O 2.74Å; A225-V288 HydrophobicContact CB-CG1 3.47Å; A225-V288 VanDerWaalsContact CB-CG1 3.47Å; A225-T292 HydrophobicContact CB-CG2 4.5Å; A225-T292 WeakPolarHBondContact CB-OG1 3.04Å; A225-L301 WeakPolarHBondContact CA-O 3.4Å; A225-Y303 HydrophobicContact CB-CD2 4.31Å; A225-Y303 HydrophobicContact CB-CE2 3.89Å
226	I	98.8	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.9	176.5	-61.4	173.7	0	0	0	108.5	H150 I167 E212 V215 R228 T300 L301 V302 Y303	H150-I226 HydrophobicContact CB-CG1 4.23Å; H150-I226 WeakPolarHBondContact O-CA 3.42Å; I167-I226 HydrophobicContact CD1-CD1 3.53Å; I167-I226 HydrophobicContact CG1-CD1 3.86Å; E212-I226 HydrophobicContact CB-CD1 4.17Å; E212-I226 HydrophobicContact CG-CD1 4.2Å; E212-I226 HydrophobicContact CG-CG2 4.26Å; V215-I226 HydrophobicContact CB-CD1 4.22Å; V215-I226 HydrophobicContact CG1-CD1 3.88Å; V215-I226 HydrophobicContact CG1-CG1 4Å; I226-R228 HydrophobicContact CG2-CG 4.27Å; I226-T300 HydrophobicContact CD1-CG2 4.09Å; I226-T300 HydrophobicContact CG1-CG2 3.99Å; I226-L301 PolarHBondContact N-O 2.98Å; I226-V302 HydrophobicContact CB-CG1 4.39Å; I226-V302 HydrophobicContact CB-CG2 4.25Å; I226-V302 HydrophobicContact CD1-CG2 4.47Å; I226-V302 HydrophobicContact CG2-CG1 4.32Å; I226-V302 CarbonylContact O-C 3.57Å; I226-V302 VanDerWaalsContact O-CA 3.29Å; I226-V302 WeakPolarHBondContact O-CA 3.28Å; I226-Y303 PolarHBondContact O-N 3.06Å
227	I	98.8	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.3	174.8	-58.3	171.3	0	0	0	108.7	I149 H150 I151 S152 P229 L284 M285 V288 Y303 I305	I149-I227 HydrophobicContact CG2-CD1 3.56Å; I149-I227 HydrophobicContact CG2-CG1 4.18Å; H150-I227 PolarHBondContact O-N 3.39Å; I151-I227 HydrophobicContact CD1-CB 3.98Å; I151-I227 HydrophobicContact CD1-CD1 4.11Å; I151-I227 HydrophobicContact CD1-CG1 4.48Å; S152-I227 WeakPolarHBondContact CA-O 3.4Å; S152-I227 PolarHBondContact N-O 3.17Å; I227-P229 WeakPolarHBondContact O-CD 3.46Å; I227-L284 HydrophobicContact CG2-CD2 3.99Å; I227-M285 HydrophobicContact CD1-CB 4.04Å; I227-M285 HydrophobicContact CD1-CG 3.6Å; I227-V288 HydrophobicContact CD1-CB 3.89Å; I227-V288 HydrophobicContact CD1-CG1 4.05Å; I227-V288 HydrophobicContact CD1-CG2 3.98Å; I227-V288 HydrophobicContact CG1-CB 4.43Å; I227-V288 HydrophobicContact CG1-CG1 4.21Å; I227-V288 HydrophobicContact CG1-CG2 4.23Å; I227-Y303 WeakPolarHBondContact CA-O 3.47Å; I227-I305 HydrophobicContact CG2-CG2 4.17Å
228	R	98.5	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	89	-175.9	-79.6	178.7	179.9	159.1	4.3	109.4	T153 D164 V166 E212 I226 V302 Y303 H304 I305	T153-R228 WeakPolarHBondContact O-CG 3.38Å; D164-R228 PolarHBondContact O-NH1 2.81Å; V166-R228 PolarHBondContact O-NH1 2.88Å; V166-R228 VanDerWaalsContact O-NH1 3.17Å; V166-R228 PolarHBondContact O-NH2 3.24Å; E212-R228 IonicContact OE1-CZ 3.53Å; E212-R228 IonicContact OE1-NE 3.42Å; E212-R228 PolarHBondContact OE1-NE 3.24Å; E212-R228 IonicContact OE1-NH2 2.76Å; E212-R228 IonicContact OE2-CZ 4Å; E212-R228 IonicContact OE2-NE 2.64Å; E212-R228 PolarHBondContact OE2-NE 2.93Å; E212-R228 IonicContact OE2-NH2 3.34Å; E212-R228 PolarHBondContact OE2-NH2 3.45Å; I226-R228 HydrophobicContact CG2-CG 4.27Å; R228-V302 HydrophobicContact CG-CG1 4.22Å; R228-Y303 PolarHBondContact N-O 3.35Å; R228-H304 VanDerWaalsContact CD-CD2 3.47Å; R228-H304 WeakPolarHBondContact CD-CD2 3.28Å; R228-H304 WeakPolarHBondContact CD-NE2 3.48Å; R228-H304 PolarHBondContact NH1-NE2 3.02Å; R228-I305 PolarHBondContact O-N 2.73Å; R228-I305 VanDerWaalsContact O-N 3.1Å
229	P	98.3	Very high	95.9	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.045	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	148.2	171.2	30	-34.4	0	0	0	111.8	I151 S152 T153 A154 I227 V232 I276 V281 I305	I151-P229 HydrophobicContact CG2-CG 4.33Å; S152-P229 WeakPolarHBondContact O-CD 3.46Å; T153-P229 WeakPolarHBondContact CA-O 3.33Å; T153-P229 PolarHBondContact OG1-O 2.88Å; A154-P229 PolarHBondContact N-O 3.37Å; I227-P229 WeakPolarHBondContact O-CD 3.46Å; P229-V232 HydrophobicContact CB-CG2 3.85Å; P229-V232 HydrophobicContact CG-CG2 4.15Å; P229-I276 HydrophobicContact CB-CG2 4.26Å; P229-V281 HydrophobicContact CB-CG1 4.03Å; P229-V281 HydrophobicContact CB-CG2 3.99Å; P229-V281 HydrophobicContact CG-CG1 4.38Å; P229-I305 VanDerWaalsContact CA-CG2 3.49Å; P229-I305 WeakPolarHBondContact CA-O 3.46Å; P229-I305 HydrophobicContact CB-CG2 3.71Å
230	S	97.2	Very high	96.3	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.028	16%	0.163	C	C	.	.	S	Bend	trans	-75.5	-153.3	162.9	71.2	0	0	0	0	111.1	V232 D274 I305	S230-V232 PolarHBondContact O-N 3.09Å; S230-D274 WeakPolarHBondContact CB-O 3.33Å; S230-D274 PolarHBondContact OG-O 3.03Å; S230-I305 PolarHBondContact N-O 2.79Å; S230-I305 VanDerWaalsContact N-O 3.1Å
231	I	96.5	Very high	96.9	Very high	38 Å²	38	29.2 Å²	29.2	20%	0.195	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	102.2	-176.9	-56.1	172.2	0	0	0	109.7	Y155 G233 P250 D274 V275 I276 W315	Y155-I231 HydrophobicContact CE2-CG1 3.76Å; I231-G233 PolarHBondContact O-N 2.84Å; I231-P250 HydrophobicContact CG2-CG 3.4Å; I231-P250 VanDerWaalsContact CG2-CG 3.4Å; I231-D274 WeakPolarHBondContact CB-O 3.23Å; I231-D274 PolarHBondContact N-O 3.09Å; I231-V275 HydrophobicContact CB-CG2 4.44Å; I231-V275 CarbonylContact O-C 3.52Å; I231-V275 VanDerWaalsContact O-CA 3.29Å; I231-V275 WeakPolarHBondContact O-CA 3.43Å; I231-I276 PolarHBondContact O-N 2.73Å; I231-W315 HydrophobicContact CD1-CH2 4.12Å; I231-W315 HydrophobicContact CD1-CZ2 4.28Å
232	V	97.3	Very high	97.3	Very high	41 Å²	41	21.3 Å²	21.3	25%	0.248	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	118.2	-179.4	-171.3	0	0	0	0	110.5	F21 P229 S230 I276 V278 V281	F21-V232 HydrophobicContact CD1-CG1 4.36Å; F21-V232 HydrophobicContact CE1-CG1 3.86Å; P229-V232 HydrophobicContact CB-CG2 3.85Å; P229-V232 HydrophobicContact CG-CG2 4.15Å; S230-V232 PolarHBondContact O-N 3.09Å; V232-I276 CarbonylContact C-O 3.6Å; V232-I276 WeakPolarHBondContact CA-O 3.47Å; V232-I276 HydrophobicContact CG2-CG2 4.18Å; V232-V278 HydrophobicContact CG1-CB 3.59Å; V232-V278 HydrophobicContact CG1-CG2 3.75Å; V232-V281 HydrophobicContact CG2-CG2 4.39Å
233	G	97.3	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-160.1	-180	0	0	0	0	0	113.4	F21 I231 I276 Y437	F21-G233 WeakPolarHBondContact CE1-O 3.39Å; F21-G233 VanDerWaalsContact CZ-O 3.24Å; F21-G233 WeakPolarHBondContact CZ-O 3.29Å; I231-G233 PolarHBondContact O-N 2.84Å; G233-I276 PolarHBondContact N-O 2.94Å; G233-Y437 WeakPolarHBondContact CA-OH 3.16Å
234	A	97.9	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-66.4	164.8	177.2	0	0	0	0	0	112.6	W243 V244 P277 V278 Y433 Y437	A234-W243 WeakPolarHBondContact CA-O 3.36Å; A234-V244 HydrophobicContact CB-CG1 3.57Å; A234-P277 VanDerWaalsContact O-CA 3.28Å; A234-P277 WeakPolarHBondContact O-CA 3.15Å; A234-P277 WeakPolarHBondContact O-CB 3.44Å; A234-V278 PolarHBondContact O-N 3.06Å; A234-Y433 PolarHBondContact N-OH 2.8Å; A234-Y433 PolarHBondContact O-OH 3.32Å; A234-Y433 VanDerWaalsContact O-OH 3.1Å; A234-Y437 HydrophobicContact CB-CD1 3.73Å; A234-Y437 HydrophobicContact CB-CD2 3.9Å; A234-Y437 HydrophobicContact CB-CE1 3.86Å; A234-Y437 HydrophobicContact CB-CE2 3.98Å; A234-Y437 HydrophobicContact CB-CG 3.74Å
235	T	98.3	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.			trans	-61.8	137.6	168	55.2	0	0	0	0	110.1	E238 F240 G242 W243 V278 D279	T235-E238 WeakPolarHBondContact CB-O 3.48Å; T235-E238 WeakPolarHBondContact CG2-O 3.45Å; T235-F240 PolarHBondContact OG1-O 3.01Å; T235-G242 PolarHBondContact O-N 3.26Å; T235-G242 PolarHBondContact OG1-N 3.35Å; T235-W243 HydrophobicContact CG2-CB 3.98Å; T235-W243 HydrophobicContact CG2-CE3 4.35Å; T235-W243 PolarHBondContact N-O 3.23Å; T235-W243 VanDerWaalsContact N-O 3.17Å; T235-W243 WeakPolarHBondContact OG1-CB 3.47Å; T235-W243 PolarHBondContact OG1-N 3.18Å; T235-V278 HydrophobicContact CG2-CG1 3.44Å; T235-V278 VanDerWaalsContact CG2-CG1 3.44Å; T235-D279 WeakPolarHBondContact CA-OD1 3.2Å; T235-D279 HydrophobicContact CG2-CB 4.44Å
236	W	98.1	Very high	96.8	Very high	24 Å²	24	22.9 Å²	22.9	9%	0.091	12%	0.12	C	C	.	.	S	Bend	trans	-85.1	-52.3	175	170.3	30.4	0	0	0	111.2	P241 P277 D279 T280 Q427 L428 Y433	W236-P241 WeakPolarHBondContact O-CB 3.45Å; W236-P241 WeakPolarHBondContact O-CG 3.12Å; W236-P277 HydrophobicContact CB-CB 3.57Å; W236-P277 HydrophobicContact CB-CG 3.72Å; W236-P277 HydrophobicContact CG-CG 4.48Å; W236-D279 VanDerWaalsContact N-CG 3.32Å; W236-D279 PolarHBondContact N-OD1 3.01Å; W236-D279 PolarHBondContact N-OD2 3.37Å; W236-D279 VanDerWaalsContact N-OD2 3.17Å; W236-T280 HydrophobicContact CE3-CG2 3.93Å; W236-T280 HydrophobicContact CZ3-CG2 4.43Å; W236-Q427 HydrophobicContact CH2-CB 3.75Å; W236-Q427 HydrophobicContact CZ2-CB 4.46Å; W236-L428 HydrophobicContact CB-CD1 4.17Å; W236-L428 HydrophobicContact CD2-CD1 3.39Å; W236-L428 VanDerWaalsContact CE2-CD1 3.41Å; W236-L428 HydrophobicContact CE3-CD1 4.1Å; W236-L428 HydrophobicContact CG-CD1 3.38Å; W236-L428 HydrophobicContact CH2-CB 4.44Å; W236-L428 HydrophobicContact CZ2-CB 4.29Å; W236-L428 HydrophobicContact CZ2-CD1 4.15Å; W236-Y433 HydrophobicContact CB-CD2 4.03Å; W236-Y433 HydrophobicContact CB-CE2 4.12Å; W236-Y433 HydrophobicContact CG-CD2 4.35Å
237	Q	96.5	Very high	96.5	Very high	92 Å²	92	28.1 Å²	28.1	43%	0.43	15%	0.147	S	C	.	.	S	Bend	trans	-121.9	-45.3	-175.7	-65.8	-179.7	-12.1	0	0	111.8	P239 F240 D279	Q237-P239 CarbonylContact O-C 3.59Å; Q237-F240 CarbonylContact O-C 3.58Å; Q237-F240 WeakPolarHBondContact O-CA 3.39Å; Q237-F240 PolarHBondContact O-N 2.72Å; Q237-D279 PolarHBondContact N-OD2 3.43Å
238	E	95.8	Very high	96	Very high	45 Å²	45	32.8 Å²	32.8	21%	0.21	17%	0.172	C	C	.	.	S	Bend	trans	-116	146.5	-163.7	-68.8	-164.5	137.2	0	0	114.7	K29 R32 T235 D279	K29-E238 IonicContact NZ-OE1 3.65Å; K29-E238 PolarHBondContact NZ-OE1 3.03Å; K29-E238 IonicContact NZ-OE2 3.39Å; K29-E238 PolarHBondContact NZ-OE2 2.68Å; R32-E238 IonicContact CZ-OE1 3.42Å; R32-E238 IonicContact CZ-OE2 2.85Å; R32-E238 VanDerWaalsContact NH1-CD 3.34Å; R32-E238 IonicContact NH1-OE1 2.65Å; R32-E238 PolarHBondContact NH1-OE1 3.32Å; R32-E238 IonicContact NH1-OE2 3.6Å; R32-E238 VanDerWaalsContact NH2-CD 3.31Å; R32-E238 IonicContact NH2-OE1 3.67Å; R32-E238 IonicContact NH2-OE2 3.62Å; R32-E238 PolarHBondContact NH2-OE2 3.27Å; T235-E238 WeakPolarHBondContact CB-O 3.48Å; T235-E238 WeakPolarHBondContact CG2-O 3.45Å; E238-D279 HydrophobicContact CB-CB 4.31Å; E238-D279 PolarHBondContact N-OD2 3.35Å
239	P	94	Very high	95.5	Very high	31 Å²	31	34.4 Å²	34.4	20%	0.201	19%	0.188	C	C	.	.	S	Bend	cis	-68.1	-12.7	-13.4	28.8	-34.9	0	0	0	112.7	E28 L64 Q237	E28-P239 HydrophobicContact CG-CG 4.08Å; L64-P239 HydrophobicContact CD1-CG 3.64Å; Q237-P239 CarbonylContact O-C 3.59Å
240	F	95.3	Very high	95.2	Very high	42 Å²	42	35.1 Å²	35.1	18%	0.184	19%	0.193	C	C	.	.	S	Bend	trans	-157.8	158.2	168.7	46.9	-96.1	0	0	0	109.7	K63 T235 Q237 W243 Y444	K63-F240 HydrophobicContact CB-CZ 4.26Å; K63-F240 HydrophobicContact CD-CE1 4.45Å; K63-F240 HydrophobicContact CD-CE2 4.45Å; K63-F240 HydrophobicContact CD-CZ 3.98Å; K63-F240 HydrophobicContact CG-CE1 3.99Å; K63-F240 HydrophobicContact CG-CZ 3.68Å; T235-F240 PolarHBondContact OG1-O 3.01Å; Q237-F240 CarbonylContact O-C 3.58Å; Q237-F240 WeakPolarHBondContact O-CA 3.39Å; Q237-F240 PolarHBondContact O-N 2.72Å; F240-W243 HydrophobicContact CD2-CB 4.22Å; F240-W243 HydrophobicContact CE2-CB 3.66Å; F240-W243 AromaticContact CE2-CD1 3.59Å; F240-W243 AromaticContact CE2-CG 3.93Å; F240-W243 HydrophobicContact CE2-CG 3.93Å; F240-W243 HydrophobicContact CZ-CB 4.32Å; F240-W243 AromaticContact CZ-CD1 3.65Å; F240-W243 HydrophobicContact CZ-CG 4.18Å; F240-Y444 HydrophobicContact CD2-CE2 4.41Å; F240-Y444 HydrophobicContact CE2-CE1 4.23Å; F240-Y444 AromaticContact CE2-CE2 3.9Å; F240-Y444 HydrophobicContact CE2-CE2 3.9Å; F240-Y444 AromaticContact CE2-CZ 3.55Å; F240-Y444 VanDerWaalsContact CE2-OH 3.31Å; F240-Y444 WeakPolarHBondContact CE2-OH 3.32Å
241	P	97.2	Very high	95.1	Very high	59 Å²	59	35 Å²	35	38%	0.383	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	147.5	-176.3	-23.9	34.6	0	0	0	114.8	W236 W243 N436	W236-P241 WeakPolarHBondContact O-CB 3.45Å; W236-P241 WeakPolarHBondContact O-CG 3.12Å; P241-W243 PolarHBondContact O-N 2.79Å; P241-N436 HydrophobicContact CB-CB 4.05Å
242	G	96.8	Very high	95.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	8	168.1	0	0	0	0	0	115.6	T235 V244 N436 G440	T235-G242 PolarHBondContact O-N 3.26Å; T235-G242 PolarHBondContact OG1-N 3.35Å; G242-V244 PolarHBondContact O-N 3.17Å; G242-N436 WeakPolarHBondContact CA-O 3.48Å; G242-G440 WeakPolarHBondContact O-CA 3.48Å
243	W	97.3	Very high	95	Very high	12 Å²	12	34 Å²	34	5%	0.045	19%	0.19	C	C	.	.			trans	-70.1	130.8	-178.9	-171.8	84.4	0	0	0	112.2	F21 K24 V25 L64 A234 T235 F240 P241 D245 Y444	F21-W243 HydrophobicContact CD2-CE3 4.33Å; F21-W243 HydrophobicContact CD2-CH2 4.13Å; F21-W243 AromaticContact CD2-CZ3 3.52Å; F21-W243 HydrophobicContact CD2-CZ3 3.52Å; F21-W243 AromaticContact CE2-CE3 3.73Å; F21-W243 HydrophobicContact CE2-CE3 3.73Å; F21-W243 HydrophobicContact CE2-CH2 4.34Å; F21-W243 AromaticContact CE2-CZ3 3.38Å; F21-W243 HydrophobicContact CE2-CZ3 3.38Å; K24-W243 HydrophobicContact CB-CH2 4.42Å; K24-W243 HydrophobicContact CD-CH2 4.34Å; V25-W243 HydrophobicContact CG2-CE3 3.88Å; V25-W243 HydrophobicContact CG2-CH2 4.39Å; V25-W243 HydrophobicContact CG2-CZ3 3.41Å; V25-W243 VanDerWaalsContact CG2-CZ3 3.41Å; L64-W243 HydrophobicContact CB-CD2 4.44Å; L64-W243 HydrophobicContact CB-CZ2 3.86Å; L64-W243 HydrophobicContact CD1-CD2 3.82Å; L64-W243 HydrophobicContact CD1-CE3 3.93Å; L64-W243 HydrophobicContact CD1-CG 4.27Å; L64-W243 HydrophobicContact CD1-CZ2 4.39Å; L64-W243 HydrophobicContact CD1-CZ3 4.27Å; L64-W243 HydrophobicContact CD2-CE3 4.42Å; L64-W243 HydrophobicContact CD2-CH2 3.62Å; L64-W243 HydrophobicContact CD2-CZ2 3.78Å; L64-W243 HydrophobicContact CD2-CZ3 3.95Å; L64-W243 HydrophobicContact CG-CH2 4.44Å; L64-W243 HydrophobicContact CG-CZ2 4.22Å; A234-W243 WeakPolarHBondContact CA-O 3.36Å; T235-W243 HydrophobicContact CG2-CB 3.98Å; T235-W243 HydrophobicContact CG2-CE3 4.35Å; T235-W243 PolarHBondContact N-O 3.23Å; T235-W243 VanDerWaalsContact N-O 3.17Å; T235-W243 WeakPolarHBondContact OG1-CB 3.47Å; T235-W243 PolarHBondContact OG1-N 3.18Å; F240-W243 HydrophobicContact CD2-CB 4.22Å; F240-W243 HydrophobicContact CE2-CB 3.66Å; F240-W243 AromaticContact CE2-CD1 3.59Å; F240-W243 AromaticContact CE2-CG 3.93Å; F240-W243 HydrophobicContact CE2-CG 3.93Å; F240-W243 HydrophobicContact CZ-CB 4.32Å; F240-W243 AromaticContact CZ-CD1 3.65Å; F240-W243 HydrophobicContact CZ-CG 4.18Å; P241-W243 PolarHBondContact O-N 2.79Å; W243-D245 HydrophobicContact CH2-CB 3.75Å; W243-D245 HydrophobicContact CZ2-CB 3.76Å; W243-Y444 HydrophobicContact CB-CE2 4.48Å
244	V	96.2	Very high	94.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.193	C	C	.	.			trans	-151.7	148.7	177.2	-79.7	0	0	0	0	109.8	F21 A234 G242 Y437 V441 Y444 L445	F21-V244 HydrophobicContact CE2-CG1 4.43Å; F21-V244 HydrophobicContact CZ-CG1 4.1Å; A234-V244 HydrophobicContact CB-CG1 3.57Å; G242-V244 PolarHBondContact O-N 3.17Å; V244-Y437 HydrophobicContact CG1-CE2 4.15Å; V244-V441 HydrophobicContact CG2-CG2 4.08Å; V244-Y444 WeakPolarHBondContact O-CB 3.31Å; V244-L445 HydrophobicContact CB-CD1 4.27Å; V244-L445 HydrophobicContact CB-CD2 4.47Å; V244-L445 HydrophobicContact CB-CG 4.36Å; V244-L445 HydrophobicContact CG2-CD1 3.77Å; V244-L445 HydrophobicContact CG2-CD2 4.34Å; V244-L445 HydrophobicContact CG2-CG 3.75Å; V244-L445 WeakPolarHBondContact O-CD2 3.45Å
245	D	93.7	Very high	94.9	Very high	51 Å²	51	35.9 Å²	35.9	27%	0.273	20%	0.199	S	C	.	.			trans	-131.9	2.2	-175.9	80.9	-21.4	0	0	0	116.1	F21 K24 W243 L445	F21-D245 WeakPolarHBondContact CB-OD1 3.46Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.45Å; K24-D245 IonicContact NZ-OD2 2.85Å; K24-D245 PolarHBondContact NZ-OD2 2.89Å; W243-D245 HydrophobicContact CH2-CB 3.75Å; W243-D245 HydrophobicContact CZ2-CB 3.76Å; D245-L445 VanDerWaalsContact CA-CD2 3.47Å
246	N	92.7	Very high	94.8	Very high	33 Å²	33	36.2 Å²	36.2	18%	0.176	20%	0.202	C	C	.	.			trans	-135.8	166	-178.7	68.1	79	0	0	0	112.5	F21 N248 N251 L445	F21-N246 VanDerWaalsContact CB-ND2 3.27Å; F21-N246 WeakPolarHBondContact CB-ND2 3.43Å; F21-N246 WeakPolarHBondContact CG-ND2 3.44Å; N246-N248 WeakPolarHBondContact OD1-CB 3.24Å; N246-N248 PolarHBondContact OD1-N 3.23Å; N246-N251 VanDerWaalsContact O-CB 3.27Å; N246-N251 WeakPolarHBondContact O-CB 3.21Å; N246-N251 PolarHBondContact O-ND2 3.42Å; N246-L445 VanDerWaalsContact N-CD2 3.27Å; N246-L445 WeakPolarHBondContact O-CD1 3.39Å
247	I	92.2	Very high	94.7	Very high	111 Å²	111	35.3 Å²	35.3	57%	0.569	20%	0.2	S	C	*	.			trans	-101.5	11.6	-175.7	-55.3	171.1	0	0	0	111.4	G252 I255	I247-G252 WeakPolarHBondContact O-CA 3.36Å; I247-G252 PolarHBondContact O-N 3.29Å; I247-G252 VanDerWaalsContact O-N 3.16Å; I247-I255 HydrophobicContact CG1-CD1 4.34Å; I247-I255 HydrophobicContact CG2-CD1 4.24Å
248	N	88.7	Confident	94.7	Very high	97 Å²	97	31 Å²	31	52%	0.519	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	150.4	-174.2	-61.9	-19.7	0	0	0	111.6	N246 N251	N246-N248 WeakPolarHBondContact OD1-CB 3.24Å; N246-N248 PolarHBondContact OD1-N 3.23Å; N248-N251 WeakPolarHBondContact O-CB 3.36Å; N248-N251 PolarHBondContact O-N 3.2Å
249	G	88.2	Confident	94.8	Very high	34 Å²	34	30.3 Å²	30.3	35%	0.351	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-123.6	171.7	0	0	0	0	0	113.9	N251 G252 I253	G249-N251 VanDerWaalsContact C-N 3.27Å; G249-N251 PolarHBondContact O-N 3.04Å; G249-G252 PolarHBondContact O-N 2.81Å; G249-I253 PolarHBondContact O-N 3.36Å
250	P	92.7	Very high	94.8	Very high	22 Å²	22	28.9 Å²	28.9	14%	0.143	17%	0.166	C	C	.	.	H	α-helix	trans	-56.3	-36.3	-177.6	-25.4	33.8	0	0	0	114.2	I231 G252 I253 I254	I231-P250 HydrophobicContact CG2-CG 3.4Å; I231-P250 VanDerWaalsContact CG2-CG 3.4Å; P250-G252 VanDerWaalsContact C-N 3.32Å; P250-G252 PolarHBondContact O-N 3.24Å; P250-I253 PolarHBondContact O-N 2.75Å; P250-I253 VanDerWaalsContact O-N 3.15Å; P250-I254 WeakPolarHBondContact O-CG1 3.24Å; P250-I254 PolarHBondContact O-N 3.31Å
251	N	95.6	Very high	94.9	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-45.7	-179.2	-62.6	-16.4	0	0	0	110.9	N246 N248 G249 I254 I255 Y437 L445	N246-N251 VanDerWaalsContact O-CB 3.27Å; N246-N251 WeakPolarHBondContact O-CB 3.21Å; N246-N251 PolarHBondContact O-ND2 3.42Å; N248-N251 WeakPolarHBondContact O-CB 3.36Å; N248-N251 PolarHBondContact O-N 3.2Å; G249-N251 VanDerWaalsContact C-N 3.27Å; G249-N251 PolarHBondContact O-N 3.04Å; N251-I254 PolarHBondContact O-N 2.87Å; N251-I255 VanDerWaalsContact O-CG1 3.29Å; N251-I255 WeakPolarHBondContact O-CG1 3.34Å; N251-I255 PolarHBondContact O-N 3.2Å; N251-Y437 WeakPolarHBondContact OD1-CE2 3.41Å; N251-Y437 VanDerWaalsContact OD1-CZ 3.26Å; N251-Y437 PolarHBondContact OD1-OH 2.8Å; N251-L445 HydrophobicContact CB-CD1 3.8Å
252	G	94.9	Very high	94.8	Very high	19 Å²	19	26.3 Å²	26.3	20%	0.196	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-39.6	176.9	0	0	0	0	0	113	I247 G249 P250 I255 A256	I247-G252 WeakPolarHBondContact O-CA 3.36Å; I247-G252 PolarHBondContact O-N 3.29Å; I247-G252 VanDerWaalsContact O-N 3.16Å; G249-G252 PolarHBondContact O-N 2.81Å; P250-G252 VanDerWaalsContact C-N 3.32Å; P250-G252 PolarHBondContact O-N 3.24Å; G252-I255 PolarHBondContact O-N 3.17Å; G252-A256 VanDerWaalsContact O-CB 3.26Å; G252-A256 WeakPolarHBondContact O-CB 3.45Å; G252-A256 PolarHBondContact O-N 2.81Å
253	I	95	Very high	94.7	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.195	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-44.8	176.7	-68.3	170	0	0	0	111	G249 P250 A256 T257 L262 I265 L391	G249-I253 PolarHBondContact O-N 3.36Å; P250-I253 PolarHBondContact O-N 2.75Å; P250-I253 VanDerWaalsContact O-N 3.15Å; I253-A256 PolarHBondContact O-N 3.17Å; I253-T257 VanDerWaalsContact O-CB 3.24Å; I253-T257 WeakPolarHBondContact O-CB 3.29Å; I253-T257 PolarHBondContact O-N 2.95Å; I253-T257 PolarHBondContact O-OG1 3.44Å; I253-L262 HydrophobicContact CG2-CD2 4.17Å; I253-I265 HydrophobicContact CG2-CD1 4.15Å; I253-L391 HydrophobicContact CD1-CD1 3.69Å; I253-L391 HydrophobicContact CG1-CD1 4.29Å
254	I	96.6	Very high	94.5	Very high	14 Å²	14	28 Å²	28	7%	0.072	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-47.9	177	-68.7	168.1	0	0	0	109.7	P250 N251 T257 G258 F326 F331 Y437 V438 V441	P250-I254 WeakPolarHBondContact O-CG1 3.24Å; P250-I254 PolarHBondContact O-N 3.31Å; N251-I254 PolarHBondContact O-N 2.87Å; I254-T257 PolarHBondContact O-N 2.97Å; I254-G258 PolarHBondContact O-N 3.45Å; I254-F326 HydrophobicContact CG2-CE1 4.33Å; I254-F326 HydrophobicContact CG2-CZ 3.92Å; I254-F326 WeakPolarHBondContact O-CZ 3.39Å; I254-F331 HydrophobicContact CG2-CE2 4.28Å; I254-F331 HydrophobicContact CG2-CZ 3.97Å; I254-Y437 HydrophobicContact CD1-CD2 3.65Å; I254-Y437 HydrophobicContact CD1-CE2 3.69Å; I254-Y437 HydrophobicContact CD1-CG 4.31Å; I254-V438 HydrophobicContact CG2-CG2 4.15Å; I254-V441 HydrophobicContact CD1-CG2 4.39Å; I254-V441 HydrophobicContact CG2-CB 4.27Å; I254-V441 HydrophobicContact CG2-CG1 4.03Å; I254-V441 HydrophobicContact CG2-CG2 4.21Å
255	I	96.9	Very high	94.3	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.128	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-50	177.3	-68.1	168.4	0	0	0	111.2	I247 N251 G252 T257 G258 K259 V441 L445 L446	I247-I255 HydrophobicContact CG1-CD1 4.34Å; I247-I255 HydrophobicContact CG2-CD1 4.24Å; N251-I255 VanDerWaalsContact O-CG1 3.29Å; N251-I255 WeakPolarHBondContact O-CG1 3.34Å; N251-I255 PolarHBondContact O-N 3.2Å; G252-I255 PolarHBondContact O-N 3.17Å; I255-T257 VanDerWaalsContact C-N 3.32Å; I255-T257 PolarHBondContact O-N 3.31Å; I255-G258 PolarHBondContact O-N 2.68Å; I255-K259 HydrophobicContact CG2-CG 4.3Å; I255-K259 WeakPolarHBondContact O-CB 3.45Å; I255-K259 VanDerWaalsContact O-CG 3.3Å; I255-K259 WeakPolarHBondContact O-CG 3.44Å; I255-K259 PolarHBondContact O-N 3.01Å; I255-V441 HydrophobicContact CD1-CG1 4.07Å; I255-V441 HydrophobicContact CG1-CG1 3.5Å; I255-V441 VanDerWaalsContact CG1-CG1 3.5Å; I255-L445 HydrophobicContact CD1-CB 4.35Å; I255-L445 HydrophobicContact CD1-CD1 4.15Å; I255-L446 HydrophobicContact CD1-CD2 4.04Å; I255-L446 HydrophobicContact CD1-CG 4.49Å; I255-L446 HydrophobicContact CG1-CD1 4.47Å; I255-L446 HydrophobicContact CG1-CD2 4.09Å; I255-L446 HydrophobicContact CG1-CG 4.32Å; I255-L446 HydrophobicContact CG2-CD2 4.05Å
256	A	96.6	Very high	94.2	Very high	7 Å²	7	29 Å²	29	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-39.2	-177.4	0	0	0	0	0	112	G252 I253 G260 F261 L262 L384	G252-A256 VanDerWaalsContact O-CB 3.26Å; G252-A256 WeakPolarHBondContact O-CB 3.45Å; G252-A256 PolarHBondContact O-N 2.81Å; I253-A256 PolarHBondContact O-N 3.17Å; A256-G260 PolarHBondContact O-N 2.64Å; A256-F261 PolarHBondContact O-N 3.13Å; A256-L262 HydrophobicContact CB-CB 3.75Å; A256-L262 HydrophobicContact CB-CD2 4.41Å; A256-L262 PolarHBondContact O-N 3.06Å; A256-L384 HydrophobicContact CB-CD1 3.67Å; A256-L384 HydrophobicContact CB-CD2 4.13Å
257	T	96.6	Very high	94.2	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-67.9	-50.3	175.5	-57.2	0	0	0	0	111.2	I253 I254 I255 K259 G260 L323 F326 P338 A340	I253-T257 VanDerWaalsContact O-CB 3.24Å; I253-T257 WeakPolarHBondContact O-CB 3.29Å; I253-T257 PolarHBondContact O-N 2.95Å; I253-T257 PolarHBondContact O-OG1 3.44Å; I254-T257 PolarHBondContact O-N 2.97Å; I255-T257 VanDerWaalsContact C-N 3.32Å; I255-T257 PolarHBondContact O-N 3.31Å; T257-K259 VanDerWaalsContact C-N 3.31Å; T257-K259 PolarHBondContact O-N 3.09Å; T257-G260 WeakPolarHBondContact O-CA 3.44Å; T257-G260 PolarHBondContact O-N 3.32Å; T257-L323 HydrophobicContact CG2-CD2 4.17Å; T257-F326 HydrophobicContact CG2-CE2 3.89Å; T257-P338 WeakPolarHBondContact O-CA 3.47Å; T257-A340 HydrophobicContact CG2-CB 4.09Å
258	G	96.7	Very high	94.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-29.1	-178.5	0	0	0	0	0	114	I254 I255 G260	I254-G258 PolarHBondContact O-N 3.45Å; I255-G258 PolarHBondContact O-N 2.68Å; G258-G260 VanDerWaalsContact C-N 3.33Å
259	K	96	Very high	94.5	Very high	31 Å²	31	22.1 Å²	22.1	14%	0.135	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.3	171	-62.7	-65	-169.2	-177.7	0	113.2	I255 T257 F261 F331 E332 F335 R336 E448	I255-K259 HydrophobicContact CG2-CG 4.3Å; I255-K259 WeakPolarHBondContact O-CB 3.45Å; I255-K259 VanDerWaalsContact O-CG 3.3Å; I255-K259 WeakPolarHBondContact O-CG 3.44Å; I255-K259 PolarHBondContact O-N 3.01Å; T257-K259 VanDerWaalsContact C-N 3.31Å; T257-K259 PolarHBondContact O-N 3.09Å; K259-F261 HydrophobicContact CB-CD2 3.61Å; K259-F261 HydrophobicContact CB-CE2 3.53Å; K259-F261 HydrophobicContact CB-CG 4.4Å; K259-F261 HydrophobicContact CB-CZ 4.26Å; K259-F261 HydrophobicContact CG-CD2 4.49Å; K259-F261 HydrophobicContact CG-CE2 4.15Å; K259-F331 HydrophobicContact CD-CB 4.2Å; K259-E332 PolarHBondContact NZ-O 3.39Å; K259-F335 WeakPolarHBondContact O-CB 3.46Å; K259-F335 PolarHBondContact O-N 3.17Å; K259-R336 PolarHBondContact O-N 3.31Å; K259-E448 IonicContact NZ-OE1 2.98Å; K259-E448 PolarHBondContact NZ-OE1 3.18Å
260	G	95.9	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	21.9	179.8	0	0	0	0	0	114.8	A256 T257 G258 R336	A256-G260 PolarHBondContact O-N 2.64Å; T257-G260 WeakPolarHBondContact O-CA 3.44Å; T257-G260 PolarHBondContact O-N 3.32Å; G258-G260 VanDerWaalsContact C-N 3.33Å; G260-R336 PolarHBondContact O-NE 2.9Å; G260-R336 PolarHBondContact O-NH2 3.46Å
261	F	95.9	Very high	94.9	Very high	47 Å²	47	25.9 Å²	25.9	21%	0.206	14%	0.136	C	C	.	.	S	Bend	trans	-80.7	-49	172.4	-61	-49.6	0	0	0	111	A256 K259 F335 H357 M377 L380 M381 L384	A256-F261 PolarHBondContact O-N 3.13Å; K259-F261 HydrophobicContact CB-CD2 3.61Å; K259-F261 HydrophobicContact CB-CE2 3.53Å; K259-F261 HydrophobicContact CB-CG 4.4Å; K259-F261 HydrophobicContact CB-CZ 4.26Å; K259-F261 HydrophobicContact CG-CD2 4.49Å; K259-F261 HydrophobicContact CG-CE2 4.15Å; F261-F335 HydrophobicContact CD1-CB 3.95Å; F261-F335 AromaticContact CD1-CD1 3.92Å; F261-F335 HydrophobicContact CD1-CD1 3.92Å; F261-F335 HydrophobicContact CD1-CG 4.17Å; F261-F335 HydrophobicContact CE1-CB 3.41Å; F261-F335 VanDerWaalsContact CE1-CB 3.41Å; F261-F335 AromaticContact CE1-CD1 4Å; F261-F335 HydrophobicContact CE1-CD1 4Å; F261-F335 AromaticContact CE1-CG 3.78Å; F261-F335 HydrophobicContact CE1-CG 3.78Å; F261-F335 HydrophobicContact CZ-CB 4.08Å; F261-H357 PolarHBondContact O-CD2 3.09Å; F261-H357 VanDerWaalsContact O-CD2 3.3Å; F261-M377 HydrophobicContact CD1-SD 4.16Å; F261-M377 HydrophobicContact CE1-CE 3.9Å; F261-M377 HydrophobicContact CE1-SD 3.92Å; F261-L380 HydrophobicContact CD1-CD2 4.35Å; F261-L380 HydrophobicContact CD2-CD2 4.49Å; F261-L380 HydrophobicContact CE1-CD2 4.12Å; F261-L380 HydrophobicContact CE2-CD2 4.25Å; F261-L380 HydrophobicContact CZ-CD2 4.07Å; F261-M381 HydrophobicContact CB-CE 4.47Å; F261-L384 HydrophobicContact CB-CD2 3.79Å
262	L	95.6	Very high	95	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.145	C	C	.	.			trans	-90	123.2	172.6	-167	57	0	0	0	108.5	I253 A256 A264 I265 L384 V388	I253-L262 HydrophobicContact CG2-CD2 4.17Å; A256-L262 HydrophobicContact CB-CB 3.75Å; A256-L262 HydrophobicContact CB-CD2 4.41Å; A256-L262 PolarHBondContact O-N 3.06Å; L262-A264 WeakPolarHBondContact CD1-O 3.47Å; L262-I265 HydrophobicContact CD1-CG1 3.98Å; L262-I265 HydrophobicContact CD2-CD1 3.52Å; L262-I265 HydrophobicContact CD2-CG1 3.76Å; L262-I265 HydrophobicContact CG-CD1 4.05Å; L262-I265 HydrophobicContact CG-CG1 3.81Å; L262-L384 HydrophobicContact CB-CD2 4.11Å; L262-L384 HydrophobicContact CD1-CD2 4.45Å; L262-V388 HydrophobicContact CD1-CG2 3.94Å; L262-V388 HydrophobicContact CD2-CG2 3.93Å
263	R	93.9	Very high	95	Very high	44 Å²	44	26.3 Å²	26.3	17%	0.166	14%	0.135	C	C	.	.			trans	-126.2	-20.2	-178.2	-65.1	-176.1	67.6	82.9	5.9	114.5	R336 R337 N339 N341 H357	R263-R336 VanDerWaalsContact CD-NH1 3.34Å; R263-R337 PolarHBondContact NH1-O 3.43Å; R263-N339 WeakPolarHBondContact CA-O 3.44Å; R263-N339 HydrophobicContact CB-CB 4.49Å; R263-N341 PolarHBondContact O-N 2.99Å; R263-H357 PolarHBondContact N-NE2 2.88Å
264	A	93.1	Very high	95.1	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.3	174.3	0	0	0	0	0	109	L262 N341 T343 W352 H357	L262-A264 WeakPolarHBondContact CD1-O 3.47Å; A264-N341 CarbonylContact C-O 3.36Å; A264-N341 WeakPolarHBondContact CA-O 3.46Å; A264-N341 HydrophobicContact CB-CB 4.12Å; A264-T343 HydrophobicContact CB-CG2 4.35Å; A264-W352 HydrophobicContact CB-CB 3.78Å; A264-W352 HydrophobicContact CB-CG 4.12Å; A264-H357 PolarHBondContact O-CE1 2.79Å
265	I	92.2	Very high	95.1	Very high	16 Å²	16	24.1 Å²	24.1	8%	0.082	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135	-179.8	-56.9	175.5	0	0	0	107.8	I253 L262 A267 N341 T343 V388 I395	I253-I265 HydrophobicContact CG2-CD1 4.15Å; L262-I265 HydrophobicContact CD1-CG1 3.98Å; L262-I265 HydrophobicContact CD2-CD1 3.52Å; L262-I265 HydrophobicContact CD2-CG1 3.76Å; L262-I265 HydrophobicContact CG-CD1 4.05Å; L262-I265 HydrophobicContact CG-CG1 3.81Å; I265-A267 HydrophobicContact CG2-CB 4.06Å; I265-A267 PolarHBondContact O-N 3.33Å; I265-N341 PolarHBondContact N-O 3.03Å; I265-T343 PolarHBondContact O-N 3.3Å; I265-T343 PolarHBondContact O-OG1 2.76Å; I265-V388 HydrophobicContact CG2-CG1 3.95Å; I265-I395 HydrophobicContact CG2-CD1 4.31Å
266	K	92.4	Very high	95.1	Very high	57 Å²	57	22.9 Å²	22.9	25%	0.248	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	112.9	172.4	-177	178.7	157.1	-135.9	0	110	T343 E392 N396	K266-T343 CarbonylContact C-O 3.59Å; K266-T343 VanDerWaalsContact CA-O 3.3Å; K266-T343 WeakPolarHBondContact CA-O 3.31Å; K266-T343 WeakPolarHBondContact CA-OG1 3.42Å; K266-E392 IonicContact NZ-OE2 3.71Å; K266-E392 PolarHBondContact NZ-OE2 2.79Å; K266-N396 PolarHBondContact O-ND2 3.32Å
267	A	92	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.			trans	-165.6	148.5	-161	0	0	0	0	0	110.8	I265 P269 F342 T343 I395 N396	I265-A267 HydrophobicContact CG2-CB 4.06Å; I265-A267 PolarHBondContact O-N 3.33Å; A267-P269 WeakPolarHBondContact O-CD 3.27Å; A267-F342 HydrophobicContact CB-CD1 3.63Å; A267-F342 HydrophobicContact CB-CE1 4.18Å; A267-T343 PolarHBondContact N-O 3.02Å; A267-I395 HydrophobicContact CB-CB 4.41Å; A267-I395 HydrophobicContact CB-CG2 3.32Å; A267-N396 WeakPolarHBondContact CA-OD1 3.45Å; A267-N396 PolarHBondContact N-OD1 3.21Å
268	T	94.2	Very high	95.3	Very high	57 Å²	57	22.3 Å²	22.3	35%	0.35	11%	0.114	S	C	.	.			trans	-85.5	103.6	169.5	-58.7	0	0	0	0	107.4	M270 A271 N396	T268-M270 PolarHBondContact O-N 2.81Å; T268-M270 VanDerWaalsContact O-N 3.1Å; T268-A271 HydrophobicContact CG2-CB 3.98Å; T268-A271 WeakPolarHBondContact O-CB 3.16Å; T268-A271 PolarHBondContact O-N 3.11Å; T268-N396 PolarHBondContact N-OD1 3.35Å; T268-N396 PolarHBondContact OG1-O 2.91Å; T268-N396 PolarHBondContact OG1-OD1 2.85Å
269	P	92.6	Very high	95.3	Very high	40 Å²	40	22.5 Å²	22.5	26%	0.26	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.2	-173.8	21.9	-33	0	0	0	113.4	A267 W315 H316 F342	A267-P269 WeakPolarHBondContact O-CD 3.27Å; P269-W315 PolarHBondContact O-N 3Å; P269-H316 HydrophobicContact CB-CB 3.95Å; P269-H316 WeakPolarHBondContact O-CB 3.27Å; P269-H316 PolarHBondContact O-N 3.27Å; P269-F342 HydrophobicContact CB-CB 4.1Å; P269-F342 HydrophobicContact CB-CD2 4.27Å; P269-F342 HydrophobicContact CB-CG 4.08Å; P269-F342 HydrophobicContact CG-CB 4.46Å
270	M	95.3	Very high	95.4	Very high	129 Å²	129	21.1 Å²	21.1	64%	0.635	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.1	179.8	-61.2	-53.8	-65.2	0	0	113.8	T268	T268-M270 PolarHBondContact O-N 2.81Å; T268-M270 VanDerWaalsContact O-N 3.1Å
271	A	95.4	Very high	95.6	Very high	5 Å²	5	21.1 Å²	21.1	4%	0.041	11%	0.109	C	C	.	.	S	Bend	trans	-65.4	141	173.3	0	0	0	0	0	109.9	T268 A273 N314 W315 S398	T268-A271 HydrophobicContact CG2-CB 3.98Å; T268-A271 WeakPolarHBondContact O-CB 3.16Å; T268-A271 PolarHBondContact O-N 3.11Å; A271-A273 PolarHBondContact O-N 2.93Å; A271-N314 VanDerWaalsContact O-CA 3.28Å; A271-N314 WeakPolarHBondContact O-CA 3.13Å; A271-N314 WeakPolarHBondContact O-CB 3.31Å; A271-W315 VanDerWaalsContact O-CD1 3.25Å; A271-W315 PolarHBondContact O-N 2.87Å; A271-W315 VanDerWaalsContact O-N 3.14Å; A271-S398 WeakPolarHBondContact CA-OG 3.5Å; A271-S398 WeakPolarHBondContact CB-OG 3.4Å
272	V	96.6	Very high	95.7	Very high	31 Å²	31	18.9 Å²	18.9	19%	0.188	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-59.8	130.9	174.8	-178.6	0	0	0	0	109.5	P312 S398	V272-P312 HydrophobicContact CG1-CB 4.36Å; V272-P312 HydrophobicContact CG2-CB 4.46Å; V272-S398 PolarHBondContact N-OG 2.9Å
273	A	95.5	Very high	95.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.			trans	-98.7	86.7	174.1	0	0	0	0	0	108.4	A271 V275 C313 W315 M318	A271-A273 PolarHBondContact O-N 2.93Å; A273-V275 PolarHBondContact O-N 2.78Å; A273-C313 WeakPolarHBondContact CB-O 3.43Å; A273-C313 PolarHBondContact N-O 3.25Å; A273-W315 HydrophobicContact CB-CD2 3.44Å; A273-W315 VanDerWaalsContact CB-CD2 3.44Å; A273-W315 HydrophobicContact CB-CE3 3.5Å; A273-W315 VanDerWaalsContact CB-CE3 3.5Å; A273-W315 HydrophobicContact CB-CG 4.05Å; A273-W315 HydrophobicContact CB-CH2 3.77Å; A273-W315 HydrophobicContact CB-CZ2 3.72Å; A273-W315 HydrophobicContact CB-CZ3 3.66Å; A273-M318 HydrophobicContact CB-CE 3.58Å; A273-M318 HydrophobicContact CB-CG 4.39Å; A273-M318 HydrophobicContact CB-SD 3.46Å; A273-M318 WeakPolarHBondContact CB-SD 3.4Å; A273-M318 VanDerWaalsContact O-CE 3.31Å; A273-M318 WeakPolarHBondContact O-CE 3.36Å
274	D	96.2	Very high	96.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.093	C	C	.	.			trans	-70.2	66.6	-178.5	-80.8	-74.9	0	0	0	112.7	Y155 S230 I231 G308 W401	Y155-D274 VanDerWaalsContact OH-CB 3.28Å; Y155-D274 WeakPolarHBondContact OH-CB 3.41Å; S230-D274 WeakPolarHBondContact CB-O 3.33Å; S230-D274 PolarHBondContact OG-O 3.03Å; I231-D274 WeakPolarHBondContact CB-O 3.23Å; I231-D274 PolarHBondContact N-O 3.09Å; D274-G308 WeakPolarHBondContact OD1-CA 2.86Å; D274-G308 PolarHBondContact OD1-N 3.36Å; D274-W401 PolarHBondContact OD1-NE1 2.72Å; D274-W401 VanDerWaalsContact OD1-NE1 3.15Å
275	V	96.7	Very high	96.3	Very high	5 Å²	5	17 Å²	17	3%	0.03	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.4	174.4	-179.8	0	0	0	0	109.4	I231 A273 S307 M318 W430 Y433	I231-V275 HydrophobicContact CB-CG2 4.44Å; I231-V275 CarbonylContact O-C 3.52Å; I231-V275 VanDerWaalsContact O-CA 3.29Å; I231-V275 WeakPolarHBondContact O-CA 3.43Å; A273-V275 PolarHBondContact O-N 2.78Å; V275-S307 PolarHBondContact N-OG 3.34Å; V275-S307 WeakPolarHBondContact O-CB 3.35Å; V275-S307 PolarHBondContact O-OG 3.15Å; V275-M318 HydrophobicContact CB-CE 4.3Å; V275-M318 HydrophobicContact CG2-CE 4.2Å; V275-M318 HydrophobicContact CG2-SD 4.25Å; V275-W430 HydrophobicContact CB-CH2 4.38Å; V275-W430 HydrophobicContact CB-CZ3 4.37Å; V275-W430 WeakPolarHBondContact O-CH2 3.4Å; V275-Y433 HydrophobicContact CG1-CE1 4.22Å
276	I	97.7	Very high	96.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.5	178.4	-169.7	75.9	0	0	0	110.5	P229 I231 V232 G233 T280 V281 I305 V425	P229-I276 HydrophobicContact CB-CG2 4.26Å; I231-I276 PolarHBondContact O-N 2.73Å; V232-I276 CarbonylContact C-O 3.6Å; V232-I276 WeakPolarHBondContact CA-O 3.47Å; V232-I276 HydrophobicContact CG2-CG2 4.18Å; G233-I276 PolarHBondContact N-O 2.94Å; I276-T280 WeakPolarHBondContact CG1-OG1 3.43Å; I276-V281 HydrophobicContact CB-CG2 4.4Å; I276-V281 HydrophobicContact CG1-CG2 3.83Å; I276-V281 HydrophobicContact CG2-CG2 3.68Å; I276-I305 HydrophobicContact CD1-CD1 4.18Å; I276-I305 HydrophobicContact CD1-CG1 3.76Å; I276-I305 HydrophobicContact CG1-CG1 3.81Å; I276-V425 HydrophobicContact CD1-CG1 3.49Å; I276-V425 VanDerWaalsContact CD1-CG1 3.49Å
277	P	98.2	Very high	97	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	136	176.3	-22.6	33.5	0	0	0	112.8	A234 W236 D279 T280 V281 L428 Y433	A234-P277 VanDerWaalsContact O-CA 3.28Å; A234-P277 WeakPolarHBondContact O-CA 3.15Å; A234-P277 WeakPolarHBondContact O-CB 3.44Å; W236-P277 HydrophobicContact CB-CB 3.57Å; W236-P277 HydrophobicContact CB-CG 3.72Å; W236-P277 HydrophobicContact CG-CG 4.48Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 WeakPolarHBondContact CB-OD1 3.4Å; P277-D279 PolarHBondContact O-N 3.31Å; P277-T280 HydrophobicContact CB-CG2 4.14Å; P277-T280 HydrophobicContact CG-CG2 4.33Å; P277-T280 PolarHBondContact O-N 2.74Å; P277-T280 VanDerWaalsContact O-N 3.12Å; P277-T280 PolarHBondContact O-OG1 3.17Å; P277-V281 PolarHBondContact O-N 3.4Å; P277-L428 HydrophobicContact CG-CD1 4.34Å; P277-L428 HydrophobicContact CG-CD2 4.2Å; P277-Y433 HydrophobicContact CB-CE2 4.12Å; P277-Y433 HydrophobicContact CG-CD2 4.48Å; P277-Y433 HydrophobicContact CG-CE2 3.88Å
278	V	98.3	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.8	-32.2	-175.2	65.6	0	0	0	0	113.4	F21 L22 V25 V232 A234 T235 V281 V282	F21-V278 HydrophobicContact CD1-CG2 4.42Å; F21-V278 HydrophobicContact CE1-CB 3.97Å; F21-V278 HydrophobicContact CE1-CG1 4.37Å; F21-V278 HydrophobicContact CE1-CG2 4.01Å; F21-V278 HydrophobicContact CE2-CG1 4.2Å; F21-V278 HydrophobicContact CZ-CB 3.82Å; F21-V278 HydrophobicContact CZ-CG1 3.7Å; F21-V278 HydrophobicContact CZ-CG2 4.06Å; L22-V278 HydrophobicContact CD1-CG2 3.73Å; V25-V278 HydrophobicContact CB-CG2 4.13Å; V25-V278 HydrophobicContact CG1-CG1 4.31Å; V25-V278 HydrophobicContact CG1-CG2 4.39Å; V25-V278 HydrophobicContact CG2-CG1 3.97Å; V25-V278 HydrophobicContact CG2-CG2 3.91Å; V232-V278 HydrophobicContact CG1-CB 3.59Å; V232-V278 HydrophobicContact CG1-CG2 3.75Å; A234-V278 PolarHBondContact O-N 3.06Å; T235-V278 HydrophobicContact CG2-CG1 3.44Å; T235-V278 VanDerWaalsContact CG2-CG1 3.44Å; V278-V281 WeakPolarHBondContact O-CB 3.25Å; V278-V281 PolarHBondContact O-N 2.84Å; V278-V282 WeakPolarHBondContact O-CG2 3.45Å; V278-V282 PolarHBondContact O-N 2.99Å
279	D	98.3	Very high	97.5	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.027	6%	0.059	C	C	.	.	H	α-helix	trans	-67.8	-37.6	176.4	53.2	-30.2	0	0	0	112.2	T235 W236 Q237 E238 P277 V281 V282 N283	T235-D279 WeakPolarHBondContact CA-OD1 3.2Å; T235-D279 HydrophobicContact CG2-CB 4.44Å; W236-D279 VanDerWaalsContact N-CG 3.32Å; W236-D279 PolarHBondContact N-OD1 3.01Å; W236-D279 PolarHBondContact N-OD2 3.37Å; W236-D279 VanDerWaalsContact N-OD2 3.17Å; Q237-D279 PolarHBondContact N-OD2 3.43Å; E238-D279 HydrophobicContact CB-CB 4.31Å; E238-D279 PolarHBondContact N-OD2 3.35Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 WeakPolarHBondContact CB-OD1 3.4Å; P277-D279 PolarHBondContact O-N 3.31Å; D279-V281 VanDerWaalsContact C-N 3.34Å; D279-V281 PolarHBondContact O-N 2.78Å; D279-V282 PolarHBondContact O-N 2.86Å; D279-N283 WeakPolarHBondContact O-CB 3.31Å; D279-N283 VanDerWaalsContact O-CG 3.25Å; D279-N283 PolarHBondContact O-N 2.92Å
280	T	98.2	Very high	97.8	Very high	2 Å²	2	10 Å²	10	1%	0.012	5%	0.051	C	C	.	.	H	α-helix	trans	-66.5	-37	173.6	63.5	0	0	0	0	112.1	W236 I276 P277 N283 L284 F423 V425	W236-T280 HydrophobicContact CE3-CG2 3.93Å; W236-T280 HydrophobicContact CZ3-CG2 4.43Å; I276-T280 WeakPolarHBondContact CG1-OG1 3.43Å; P277-T280 HydrophobicContact CB-CG2 4.14Å; P277-T280 HydrophobicContact CG-CG2 4.33Å; P277-T280 PolarHBondContact O-N 2.74Å; P277-T280 VanDerWaalsContact O-N 3.12Å; P277-T280 PolarHBondContact O-OG1 3.17Å; T280-N283 PolarHBondContact O-N 2.65Å; T280-L284 PolarHBondContact O-N 3.1Å; T280-F423 WeakPolarHBondContact O-CB 3.42Å; T280-V425 HydrophobicContact CG2-CG1 4.16Å
281	V	98.6	Very high	97.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62.1	-46	173.6	-179.3	0	0	0	0	110.3	L22 P229 V232 I276 P277 V278 D279 L284 M285 I305	L22-V281 HydrophobicContact CD1-CB 4.29Å; L22-V281 HydrophobicContact CD1-CG1 3.88Å; P229-V281 HydrophobicContact CB-CG1 4.03Å; P229-V281 HydrophobicContact CB-CG2 3.99Å; P229-V281 HydrophobicContact CG-CG1 4.38Å; V232-V281 HydrophobicContact CG2-CG2 4.39Å; I276-V281 HydrophobicContact CB-CG2 4.4Å; I276-V281 HydrophobicContact CG1-CG2 3.83Å; I276-V281 HydrophobicContact CG2-CG2 3.68Å; P277-V281 PolarHBondContact O-N 3.4Å; V278-V281 WeakPolarHBondContact O-CB 3.25Å; V278-V281 PolarHBondContact O-N 2.84Å; D279-V281 VanDerWaalsContact C-N 3.34Å; D279-V281 PolarHBondContact O-N 2.78Å; V281-L284 PolarHBondContact O-N 3.11Å; V281-M285 HydrophobicContact CG1-CG 4.48Å; V281-M285 HydrophobicContact CG1-SD 4.03Å; V281-M285 WeakPolarHBondContact O-CG 3.14Å; V281-M285 PolarHBondContact O-N 2.82Å; V281-I305 HydrophobicContact CB-CG2 4.48Å; V281-I305 HydrophobicContact CG1-CG2 4.28Å; V281-I305 HydrophobicContact CG2-CG2 4.02Å
282	V	98.8	Very high	98.1	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.006	3%	0.025	C	C	.	.	H	α-helix	trans	-65.7	-40.1	179.4	167	0	0	0	0	111.8	L22 V25 L26 K29 V278 D279 L284 M285 L286	L22-V282 HydrophobicContact CD1-CG2 3.73Å; V25-V282 HydrophobicContact CB-CG2 3.98Å; V25-V282 HydrophobicContact CG1-CB 4.38Å; V25-V282 HydrophobicContact CG1-CG2 3.85Å; L26-V282 HydrophobicContact CB-CG1 4.47Å; L26-V282 HydrophobicContact CB-CG2 4.26Å; L26-V282 HydrophobicContact CD1-CG1 4.13Å; K29-V282 HydrophobicContact CB-CG1 3.57Å; K29-V282 HydrophobicContact CG-CG1 3.85Å; V278-V282 WeakPolarHBondContact O-CG2 3.45Å; V278-V282 PolarHBondContact O-N 2.99Å; D279-V282 PolarHBondContact O-N 2.86Å; V282-L284 PolarHBondContact O-N 3.12Å; V282-M285 HydrophobicContact CG2-SD 4.43Å; V282-M285 WeakPolarHBondContact O-CB 3.46Å; V282-M285 PolarHBondContact O-N 3.1Å; V282-M285 VanDerWaalsContact O-N 3.16Å; V282-L286 HydrophobicContact CG1-CD1 4.32Å; V282-L286 WeakPolarHBondContact O-CG 3.39Å; V282-L286 PolarHBondContact O-N 3.46Å
283	N	98.7	Very high	98.2	Very high	7 Å²	7	4 Å²	4	4%	0.037	2%	0.018	C	C	.	.	H	α-helix	trans	-60.4	-45.8	175.3	-75.9	-14.5	0	0	0	111.5	K29 D279 T280 M285 L286 A287 F421 N422 F423	K29-N283 WeakPolarHBondContact CE-OD1 3.25Å; K29-N283 PolarHBondContact NZ-OD1 3.29Å; D279-N283 WeakPolarHBondContact O-CB 3.31Å; D279-N283 VanDerWaalsContact O-CG 3.25Å; D279-N283 PolarHBondContact O-N 2.92Å; T280-N283 PolarHBondContact O-N 2.65Å; N283-M285 VanDerWaalsContact C-N 3.34Å; N283-M285 PolarHBondContact O-N 3.32Å; N283-L286 PolarHBondContact O-N 2.87Å; N283-A287 PolarHBondContact O-N 3.43Å; N283-F421 HydrophobicContact CB-CB 4.27Å; N283-N422 WeakPolarHBondContact CB-O 3.38Å; N283-N422 PolarHBondContact ND2-N 3.34Å; N283-N422 PolarHBondContact ND2-O 3.3Å; N283-F423 HydrophobicContact CB-CB 4.39Å
284	L	98.7	Very high	98.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.9	-42.9	172.7	-179.4	67.7	0	0	0	111.6	I227 T280 V281 V282 L286 A287 V288 I305 T406 L409 F423	I227-L284 HydrophobicContact CG2-CD2 3.99Å; T280-L284 PolarHBondContact O-N 3.1Å; V281-L284 PolarHBondContact O-N 3.11Å; V282-L284 PolarHBondContact O-N 3.12Å; L284-L286 VanDerWaalsContact C-N 3.27Å; L284-L286 PolarHBondContact O-N 2.54Å; L284-A287 PolarHBondContact O-N 3.08Å; L284-V288 HydrophobicContact CD1-CG2 3.81Å; L284-V288 HydrophobicContact CG-CG2 3.92Å; L284-V288 WeakPolarHBondContact O-CB 3.04Å; L284-V288 VanDerWaalsContact O-CG2 3.24Å; L284-V288 WeakPolarHBondContact O-CG2 3.48Å; L284-V288 PolarHBondContact O-N 3.5Å; L284-I305 HydrophobicContact CD2-CB 3.55Å; L284-I305 HydrophobicContact CD2-CD1 4.22Å; L284-I305 HydrophobicContact CD2-CG1 4.13Å; L284-I305 HydrophobicContact CD2-CG2 4Å; L284-T406 HydrophobicContact CD1-CG2 4.13Å; L284-T406 HydrophobicContact CD2-CG2 4.35Å; L284-L409 HydrophobicContact CD1-CD2 3.7Å; L284-F423 HydrophobicContact CB-CB 4.08Å; L284-F423 HydrophobicContact CB-CD1 4.1Å; L284-F423 HydrophobicContact CB-CD2 4.48Å; L284-F423 HydrophobicContact CB-CG 3.98Å; L284-F423 HydrophobicContact CD1-CD1 4.15Å; L284-F423 HydrophobicContact CD1-CD2 3.89Å; L284-F423 HydrophobicContact CD1-CE1 4.05Å; L284-F423 HydrophobicContact CD1-CE2 3.76Å; L284-F423 HydrophobicContact CD1-CG 4.1Å; L284-F423 HydrophobicContact CD1-CZ 3.87Å
285	M	98.8	Very high	98.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-55.9	-42.4	178.6	-72.7	166.9	61.2	0	0	112.8	L22 L26 F109 I151 I227 V281 V282 N283 G289	L22-M285 HydrophobicContact CD1-SD 3.94Å; L22-M285 HydrophobicContact CD2-CE 4.43Å; L22-M285 HydrophobicContact CD2-SD 3.93Å; L22-M285 HydrophobicContact CG-SD 4.08Å; L26-M285 HydrophobicContact CB-CE 4.44Å; L26-M285 HydrophobicContact CD1-CE 4Å; L26-M285 HydrophobicContact CD2-CE 3.63Å; L26-M285 HydrophobicContact CG-CE 4.23Å; F109-M285 HydrophobicContact CD1-CE 3.91Å; F109-M285 HydrophobicContact CE1-CB 4.11Å; F109-M285 HydrophobicContact CE1-CE 4.49Å; F109-M285 WeakPolarHBondContact CE1-O 3.38Å; I151-M285 HydrophobicContact CD1-CE 3.72Å; I151-M285 HydrophobicContact CD1-CG 3.76Å; I151-M285 HydrophobicContact CD1-SD 3.82Å; I151-M285 HydrophobicContact CG1-CE 3.99Å; I151-M285 HydrophobicContact CG1-SD 4.39Å; I227-M285 HydrophobicContact CD1-CB 4.04Å; I227-M285 HydrophobicContact CD1-CG 3.6Å; V281-M285 HydrophobicContact CG1-CG 4.48Å; V281-M285 HydrophobicContact CG1-SD 4.03Å; V281-M285 WeakPolarHBondContact O-CG 3.14Å; V281-M285 PolarHBondContact O-N 2.82Å; V282-M285 HydrophobicContact CG2-SD 4.43Å; V282-M285 WeakPolarHBondContact O-CB 3.46Å; V282-M285 PolarHBondContact O-N 3.1Å; V282-M285 VanDerWaalsContact O-N 3.16Å; N283-M285 VanDerWaalsContact C-N 3.34Å; N283-M285 PolarHBondContact O-N 3.32Å; M285-G289 PolarHBondContact O-N 3.24Å
286	L	98.8	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-73.3	-38.9	179.5	-63.8	178.6	0	0	0	112.1	I4 Y8 L26 K29 L30 F109 V282 N283 L284 G289 W290 F421	I4-L286 HydrophobicContact CG2-CB 4.25Å; Y8-L286 HydrophobicContact CD2-CD2 4.45Å; Y8-L286 HydrophobicContact CE1-CD2 4.42Å; Y8-L286 HydrophobicContact CE2-CB 3.96Å; Y8-L286 HydrophobicContact CE2-CD2 3.76Å; Y8-L286 HydrophobicContact CE2-CG 4.42Å; Y8-L286 PolarHBondContact OH-O 3.24Å; Y8-L286 VanDerWaalsContact OH-O 3.05Å; L26-L286 HydrophobicContact CD1-CD2 3.64Å; L26-L286 HydrophobicContact CD1-CG 4.09Å; K29-L286 HydrophobicContact CB-CD1 4.15Å; K29-L286 HydrophobicContact CG-CD1 3.4Å; K29-L286 VanDerWaalsContact CG-CD1 3.4Å; L30-L286 HydrophobicContact CD1-CD2 4.38Å; L30-L286 HydrophobicContact CD2-CD1 4.4Å; L30-L286 HydrophobicContact CD2-CD2 3.44Å; L30-L286 VanDerWaalsContact CD2-CD2 3.44Å; L30-L286 HydrophobicContact CG-CD1 4.45Å; L30-L286 HydrophobicContact CG-CD2 3.78Å; F109-L286 HydrophobicContact CE2-CD2 4.3Å; F109-L286 HydrophobicContact CZ-CD2 3.87Å; V282-L286 HydrophobicContact CG1-CD1 4.32Å; V282-L286 WeakPolarHBondContact O-CG 3.39Å; V282-L286 PolarHBondContact O-N 3.46Å; N283-L286 PolarHBondContact O-N 2.87Å; L284-L286 VanDerWaalsContact C-N 3.27Å; L284-L286 PolarHBondContact O-N 2.54Å; L286-G289 PolarHBondContact O-N 3.16Å; L286-W290 PolarHBondContact O-N 3.11Å; L286-F421 HydrophobicContact CB-CD1 3.98Å; L286-F421 HydrophobicContact CB-CE1 3.98Å; L286-F421 HydrophobicContact CD1-CD1 4.06Å; L286-F421 HydrophobicContact CD1-CE1 3.57Å; L286-F421 HydrophobicContact CG-CE1 4.42Å
287	A	98.8	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-44.8	173.5	0	0	0	0	0	112.1	I4 N283 L284 W290 Y291 L409 L413 F423	I4-A287 HydrophobicContact CD1-CB 3.84Å; N283-A287 PolarHBondContact O-N 3.43Å; L284-A287 PolarHBondContact O-N 3.08Å; A287-W290 PolarHBondContact O-N 3.06Å; A287-Y291 WeakPolarHBondContact O-CB 3.14Å; A287-Y291 PolarHBondContact O-N 3.25Å; A287-L409 HydrophobicContact CB-CD2 3.95Å; A287-L409 HydrophobicContact CB-CG 4.37Å; A287-L413 HydrophobicContact CB-CD1 4.29Å; A287-F423 HydrophobicContact CB-CD1 4.48Å; A287-F423 HydrophobicContact CB-CE1 3.74Å
288	V	98.8	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-42.6	175.8	173.2	0	0	0	0	110.6	I149 A225 I227 L284 W290 Y291 T292 Y303 L409	I149-V288 HydrophobicContact CD1-CG1 4.02Å; A225-V288 HydrophobicContact CB-CG1 3.47Å; A225-V288 VanDerWaalsContact CB-CG1 3.47Å; I227-V288 HydrophobicContact CD1-CB 3.89Å; I227-V288 HydrophobicContact CD1-CG1 4.05Å; I227-V288 HydrophobicContact CD1-CG2 3.98Å; I227-V288 HydrophobicContact CG1-CB 4.43Å; I227-V288 HydrophobicContact CG1-CG1 4.21Å; I227-V288 HydrophobicContact CG1-CG2 4.23Å; L284-V288 HydrophobicContact CD1-CG2 3.81Å; L284-V288 HydrophobicContact CG-CG2 3.92Å; L284-V288 WeakPolarHBondContact O-CB 3.04Å; L284-V288 VanDerWaalsContact O-CG2 3.24Å; L284-V288 WeakPolarHBondContact O-CG2 3.48Å; L284-V288 PolarHBondContact O-N 3.5Å; V288-W290 VanDerWaalsContact C-N 3.35Å; V288-W290 PolarHBondContact O-N 2.75Å; V288-Y291 PolarHBondContact O-N 3.26Å; V288-T292 VanDerWaalsContact O-CB 3.28Å; V288-T292 WeakPolarHBondContact O-CB 3.33Å; V288-T292 PolarHBondContact O-N 3.28Å; V288-T292 PolarHBondContact O-OG1 3.17Å; V288-T292 VanDerWaalsContact O-OG1 3.08Å; V288-Y303 HydrophobicContact CB-CE2 4.45Å; V288-Y303 HydrophobicContact CG1-CD2 3.86Å; V288-Y303 HydrophobicContact CG1-CE2 3.63Å; V288-Y303 HydrophobicContact CG2-CD1 3.95Å; V288-Y303 HydrophobicContact CG2-CD2 3.76Å; V288-Y303 HydrophobicContact CG2-CE1 4.12Å; V288-Y303 HydrophobicContact CG2-CE2 3.94Å; V288-Y303 HydrophobicContact CG2-CG 3.76Å; V288-L409 HydrophobicContact CB-CD2 4.37Å; V288-L409 HydrophobicContact CG2-CD2 3.47Å; V288-L409 VanDerWaalsContact CG2-CD2 3.47Å
289	G	98.7	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.6	-44.5	177.2	0	0	0	0	0	113.1	Y8 M285 L286 A293	Y8-G289 WeakPolarHBondContact OH-CA 3.47Å; M285-G289 PolarHBondContact O-N 3.24Å; L286-G289 PolarHBondContact O-N 3.16Å; G289-A293 WeakPolarHBondContact O-CB 3.29Å; G289-A293 PolarHBondContact O-N 3.41Å
290	W	98.6	Very high	97.4	Very high	25 Å²	25	35.5 Å²	35.5	10%	0.095	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-51.9	171.3	165.3	76.1	0	0	0	112	T3 I4 F7 L286 A287 V288 T292 A293 V294 H295 L413	T3-W290 HydrophobicContact CG2-CZ2 4.31Å; I4-W290 HydrophobicContact CG1-CB 4.07Å; I4-W290 HydrophobicContact CG1-CD2 3.92Å; I4-W290 HydrophobicContact CG1-CE3 4.09Å; I4-W290 HydrophobicContact CG1-CG 3.92Å; I4-W290 HydrophobicContact CG2-CB 4.3Å; F7-W290 HydrophobicContact CB-CG 4.48Å; F7-W290 HydrophobicContact CD1-CB 3.84Å; F7-W290 HydrophobicContact CD1-CG 4.39Å; F7-W290 HydrophobicContact CE1-CB 4.21Å; F7-W290 HydrophobicContact CG-CB 4.28Å; F7-W290 AromaticContact CG-CD1 3.6Å; F7-W290 HydrophobicContact CG-CG 4.35Å; L286-W290 PolarHBondContact O-N 3.11Å; A287-W290 PolarHBondContact O-N 3.06Å; V288-W290 VanDerWaalsContact C-N 3.35Å; V288-W290 PolarHBondContact O-N 2.75Å; W290-T292 PolarHBondContact O-N 3.3Å; W290-A293 PolarHBondContact O-N 3.08Å; W290-V294 WeakPolarHBondContact O-CB 3.44Å; W290-V294 WeakPolarHBondContact O-CG2 3.37Å; W290-V294 PolarHBondContact O-N 2.6Å; W290-H295 AromaticContact CH2-CE1 3.87Å; W290-L413 HydrophobicContact CE3-CD2 4.11Å; W290-L413 HydrophobicContact CH2-CD2 4.43Å; W290-L413 HydrophobicContact CZ3-CD2 3.64Å
291	Y	98.6	Very high	97.4	Very high	30 Å²	30	36.7 Å²	36.7	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-47	-174.9	-175.8	-90.5	0	0	0	111.8	A287 V288 A293 V294 H295 P297 L301 Y303 M408 L409 E412	A287-Y291 WeakPolarHBondContact O-CB 3.14Å; A287-Y291 PolarHBondContact O-N 3.25Å; V288-Y291 PolarHBondContact O-N 3.26Å; Y291-A293 VanDerWaalsContact C-N 3.32Å; Y291-A293 PolarHBondContact O-N 3.42Å; Y291-V294 PolarHBondContact O-N 2.98Å; Y291-H295 HydrophobicContact CD1-CB 4.48Å; Y291-H295 AromaticContact CD2-CE1 3.6Å; Y291-H295 AromaticContact CD2-CG 3.93Å; Y291-H295 AromaticContact CD2-ND1 3.28Å; Y291-H295 VanDerWaalsContact CD2-ND1 3.28Å; Y291-H295 WeakPolarHBondContact CD2-ND1 3.39Å; Y291-H295 HydrophobicContact CE1-CB 4.2Å; Y291-H295 HydrophobicContact CE2-CB 4.31Å; Y291-H295 AromaticContact CE2-CE1 3.74Å; Y291-H295 AromaticContact CE2-CG 3.69Å; Y291-H295 AromaticContact CE2-ND1 3.5Å; Y291-H295 AromaticContact CG-ND1 3.76Å; Y291-H295 AromaticContact CZ-CG 3.97Å; Y291-H295 WeakPolarHBondContact O-CB 3.43Å; Y291-H295 PolarHBondContact O-N 2.92Å; Y291-H295 PolarHBondContact O-ND1 3.03Å; Y291-P297 HydrophobicContact CD1-CG 4.44Å; Y291-P297 HydrophobicContact CE1-CG 4.04Å; Y291-L301 HydrophobicContact CE1-CD1 4Å; Y291-Y303 WeakPolarHBondContact CD1-OH 3.42Å; Y291-M408 HydrophobicContact CE1-CE 4.12Å; Y291-M408 HydrophobicContact CE2-SD 4.23Å; Y291-L409 HydrophobicContact CD2-CD1 3.67Å; Y291-L409 HydrophobicContact CG-CD1 3.7Å; Y291-E412 HydrophobicContact CE2-CB 4.45Å; Y291-E412 HydrophobicContact CE2-CG 4.16Å
292	T	98.4	Very high	97.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-39.2	177.6	-65.3	0	0	0	0	112.1	A147 I149 N223 A225 V288 W290 R296	A147-T292 HydrophobicContact CB-CG2 3.86Å; I149-T292 HydrophobicContact CD1-CG2 4.41Å; N223-T292 HydrophobicContact CB-CG2 3.75Å; N223-T292 WeakPolarHBondContact O-CG2 3.47Å; A225-T292 HydrophobicContact CB-CG2 4.5Å; A225-T292 WeakPolarHBondContact CB-OG1 3.04Å; V288-T292 VanDerWaalsContact O-CB 3.28Å; V288-T292 WeakPolarHBondContact O-CB 3.33Å; V288-T292 PolarHBondContact O-N 3.28Å; V288-T292 PolarHBondContact O-OG1 3.17Å; V288-T292 VanDerWaalsContact O-OG1 3.08Å; W290-T292 PolarHBondContact O-N 3.3Å; T292-R296 WeakPolarHBondContact O-CA 3.24Å; T292-R296 PolarHBondContact O-N 3.38Å
293	A	98.3	Very high	97.4	Very high	6 Å²	6	36.8 Å²	36.8	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-42.1	179.2	0	0	0	0	0	113.1	F7 I107 E146 A147 G289 W290 Y291 R296	F7-A293 HydrophobicContact CE1-CB 4.35Å; F7-A293 HydrophobicContact CE2-CB 3.62Å; F7-A293 HydrophobicContact CZ-CB 3.31Å; I107-A293 HydrophobicContact CD1-CB 4.31Å; E146-A293 HydrophobicContact CB-CB 3.88Å; A147-A293 HydrophobicContact CB-CB 4.05Å; G289-A293 WeakPolarHBondContact O-CB 3.29Å; G289-A293 PolarHBondContact O-N 3.41Å; W290-A293 PolarHBondContact O-N 3.08Å; Y291-A293 VanDerWaalsContact C-N 3.32Å; Y291-A293 PolarHBondContact O-N 3.42Å; A293-R296 WeakPolarHBondContact O-CG 3.42Å
294	V	97.8	Very high	97.3	Very high	78 Å²	78	36.4 Å²	36.4	47%	0.473	18%	0.179	S	C	.	.	H	α-helix	trans	-81.1	-48.6	-174.8	173.2	0	0	0	0	111.8	F7 W290 Y291	F7-V294 HydrophobicContact CD2-CG2 4.33Å; F7-V294 HydrophobicContact CE2-CG2 4.44Å; W290-V294 WeakPolarHBondContact O-CB 3.44Å; W290-V294 WeakPolarHBondContact O-CG2 3.37Å; W290-V294 PolarHBondContact O-N 2.6Å; Y291-V294 PolarHBondContact O-N 2.98Å
295	H	97.1	Very high	97.3	Very high	82 Å²	82	36.4 Å²	36.4	38%	0.38	18%	0.179	S	C	.	.	H	α-helix	trans	-88.9	-18	-172.8	-61.5	84.3	0	0	0	113.3	W290 Y291	W290-H295 AromaticContact CH2-CE1 3.87Å; Y291-H295 HydrophobicContact CD1-CB 4.48Å; Y291-H295 AromaticContact CD2-CE1 3.6Å; Y291-H295 AromaticContact CD2-CG 3.93Å; Y291-H295 AromaticContact CD2-ND1 3.28Å; Y291-H295 VanDerWaalsContact CD2-ND1 3.28Å; Y291-H295 WeakPolarHBondContact CD2-ND1 3.39Å; Y291-H295 HydrophobicContact CE1-CB 4.2Å; Y291-H295 HydrophobicContact CE2-CB 4.31Å; Y291-H295 AromaticContact CE2-CE1 3.74Å; Y291-H295 AromaticContact CE2-CG 3.69Å; Y291-H295 AromaticContact CE2-ND1 3.5Å; Y291-H295 AromaticContact CG-ND1 3.76Å; Y291-H295 AromaticContact CZ-CG 3.97Å; Y291-H295 WeakPolarHBondContact O-CB 3.43Å; Y291-H295 PolarHBondContact O-N 2.92Å; Y291-H295 PolarHBondContact O-ND1 3.03Å
296	R	96	Very high	97.3	Very high	146 Å²	146	36.4 Å²	36.4	55%	0.551	18%	0.179	S	C	*	.			trans	42.6	64.2	178.5	-57.7	-170.7	173.4	-155.4	-1.7	113.2	T292 A293 K298	T292-R296 WeakPolarHBondContact O-CA 3.24Å; T292-R296 PolarHBondContact O-N 3.38Å; A293-R296 WeakPolarHBondContact O-CG 3.42Å; R296-K298 PolarHBondContact O-N 3.15Å
297	P	94.4	Very high	97.1	Very high	32 Å²	32	36.4 Å²	36.4	21%	0.208	18%	0.179	C	C	.	.			trans	-54.2	140.8	-178.8	-23.5	33.9	0	0	0	111.8	Y291 S299 L301	Y291-P297 HydrophobicContact CD1-CG 4.44Å; Y291-P297 HydrophobicContact CE1-CG 4.04Å; P297-S299 PolarHBondContact O-N 3.33Å; P297-L301 HydrophobicContact CB-CD1 3.82Å; P297-L301 HydrophobicContact CB-CG 3.94Å; P297-L301 HydrophobicContact CG-CD1 3.6Å; P297-L301 HydrophobicContact CG-CG 4.15Å
298	K	91.2	Very high	96.7	Very high	224 Å²	224	36.8 Å²	36.8	97%	0.974	18%	0.183	S	C	*	.	S	Bend	trans	-64.2	-26.5	-178	-67.8	-175.3	179.3	179.4	0	113.6	R296	R296-K298 PolarHBondContact O-N 3.15Å
299	S	92.1	Very high	96.2	Very high	81 Å²	81	40.4 Å²	40.4	57%	0.566	20%	0.202	S	C	*	.	S	Bend	trans	-122.6	156.2	178.1	56	0	0	0	0	110.3	P297 L301	P297-S299 PolarHBondContact O-N 3.33Å; S299-L301 PolarHBondContact O-N 3.25Å; S299-L301 VanDerWaalsContact O-N 3.14Å
300	T	95.9	Very high	95.9	Very high	31 Å²	31	42 Å²	42	19%	0.19	21%	0.21	C	C	.	.			trans	-64.3	113.4	173.9	-55.9	0	0	0	0	110.1	I167 V215 I224 I226	I167-T300 HydrophobicContact CD1-CG2 4.25Å; V215-T300 HydrophobicContact CG1-CG2 4.37Å; I224-T300 HydrophobicContact CB-CG2 4.22Å; I224-T300 HydrophobicContact CG2-CG2 4.01Å; I226-T300 HydrophobicContact CD1-CG2 4.09Å; I226-T300 HydrophobicContact CG1-CG2 3.99Å
301	L	97.6	Very high	95.8	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.141	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	141.5	175.2	-63.6	-179	0	0	0	110.7	A225 I226 Y291 P297 S299 Y303	A225-L301 WeakPolarHBondContact CA-O 3.4Å; I226-L301 PolarHBondContact N-O 2.98Å; Y291-L301 HydrophobicContact CE1-CD1 4Å; P297-L301 HydrophobicContact CB-CD1 3.82Å; P297-L301 HydrophobicContact CB-CG 3.94Å; P297-L301 HydrophobicContact CG-CD1 3.6Å; P297-L301 HydrophobicContact CG-CG 4.15Å; S299-L301 PolarHBondContact O-N 3.25Å; S299-L301 VanDerWaalsContact O-N 3.14Å; L301-Y303 HydrophobicContact CB-CD2 4.44Å; L301-Y303 HydrophobicContact CB-CE2 3.58Å; L301-Y303 VanDerWaalsContact CD1-OH 3.23Å; L301-Y303 WeakPolarHBondContact CD1-OH 3.44Å
302	V	98.6	Very high	95.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136	174.8	-175	0	0	0	0	108.7	E165 I167 I226 R228 N405	E165-V302 HydrophobicContact CB-CB 4.23Å; E165-V302 WeakPolarHBondContact CB-O 3.45Å; E165-V302 WeakPolarHBondContact CG-O 3.45Å; I167-V302 HydrophobicContact CG1-CG2 3.92Å; I226-V302 HydrophobicContact CB-CG1 4.39Å; I226-V302 HydrophobicContact CB-CG2 4.25Å; I226-V302 HydrophobicContact CD1-CG2 4.47Å; I226-V302 HydrophobicContact CG2-CG1 4.32Å; I226-V302 CarbonylContact O-C 3.57Å; I226-V302 VanDerWaalsContact O-CA 3.29Å; I226-V302 WeakPolarHBondContact O-CA 3.28Å; R228-V302 HydrophobicContact CG-CG1 4.22Å; V302-N405 WeakPolarHBondContact O-CB 3.4Å; V302-N405 PolarHBondContact O-ND2 3.1Å
303	Y	98.6	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.8	-179.2	-60.5	-95.2	0	0	0	110.2	E165 A225 I226 I227 R228 V288 Y291 L301 N405 L409	E165-Y303 WeakPolarHBondContact OE1-CA 3.35Å; A225-Y303 HydrophobicContact CB-CD2 4.31Å; A225-Y303 HydrophobicContact CB-CE2 3.89Å; I226-Y303 PolarHBondContact O-N 3.06Å; I227-Y303 WeakPolarHBondContact CA-O 3.47Å; R228-Y303 PolarHBondContact N-O 3.35Å; V288-Y303 HydrophobicContact CB-CE2 4.45Å; V288-Y303 HydrophobicContact CG1-CD2 3.86Å; V288-Y303 HydrophobicContact CG1-CE2 3.63Å; V288-Y303 HydrophobicContact CG2-CD1 3.95Å; V288-Y303 HydrophobicContact CG2-CD2 3.76Å; V288-Y303 HydrophobicContact CG2-CE1 4.12Å; V288-Y303 HydrophobicContact CG2-CE2 3.94Å; V288-Y303 HydrophobicContact CG2-CG 3.76Å; Y291-Y303 WeakPolarHBondContact CD1-OH 3.42Å; L301-Y303 HydrophobicContact CB-CD2 4.44Å; L301-Y303 HydrophobicContact CB-CE2 3.58Å; L301-Y303 VanDerWaalsContact CD1-OH 3.23Å; L301-Y303 WeakPolarHBondContact CD1-OH 3.44Å; Y303-N405 HydrophobicContact CD1-CB 3.77Å; Y303-N405 HydrophobicContact CE1-CB 3.79Å; Y303-N405 WeakPolarHBondContact CE1-O 3.44Å; Y303-N405 HydrophobicContact CG-CB 4.46Å; Y303-L409 HydrophobicContact CD1-CD2 4.29Å; Y303-L409 HydrophobicContact CE1-CB 4.07Å; Y303-L409 HydrophobicContact CE1-CD2 3.97Å
304	H	98.4	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.3	172	-76.7	166.2	0	0	0	111	I163 D164 E165 R228 T306 S402 T403 T406	I163-H304 PolarHBondContact O-CE1 2.86Å; D164-H304 PolarHBondContact O-CE1 3.16Å; E165-H304 HydrophobicContact CG-CB 4.12Å; E165-H304 PolarHBondContact OE1-N 2.68Å; R228-H304 VanDerWaalsContact CD-CD2 3.47Å; R228-H304 WeakPolarHBondContact CD-CD2 3.28Å; R228-H304 WeakPolarHBondContact CD-NE2 3.48Å; R228-H304 PolarHBondContact NH1-NE2 3.02Å; H304-T306 HydrophobicContact CB-CG2 4.37Å; H304-S402 PolarHBondContact ND1-O 2.9Å; H304-T403 HydrophobicContact CB-CG2 4.23Å; H304-T406 PolarHBondContact N-OG1 3.3Å; H304-T406 PolarHBondContact O-OG1 3.42Å
305	I	98.1	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	88.7	168.5	-169	67.6	0	0	0	109.5	I227 R228 P229 S230 I276 V281 L284 M310 F423	I227-I305 HydrophobicContact CG2-CG2 4.17Å; R228-I305 PolarHBondContact O-N 2.73Å; R228-I305 VanDerWaalsContact O-N 3.1Å; P229-I305 VanDerWaalsContact CA-CG2 3.49Å; P229-I305 WeakPolarHBondContact CA-O 3.46Å; P229-I305 HydrophobicContact CB-CG2 3.71Å; S230-I305 PolarHBondContact N-O 2.79Å; S230-I305 VanDerWaalsContact N-O 3.1Å; I276-I305 HydrophobicContact CD1-CD1 4.18Å; I276-I305 HydrophobicContact CD1-CG1 3.76Å; I276-I305 HydrophobicContact CG1-CG1 3.81Å; V281-I305 HydrophobicContact CB-CG2 4.48Å; V281-I305 HydrophobicContact CG1-CG2 4.28Å; V281-I305 HydrophobicContact CG2-CG2 4.02Å; L284-I305 HydrophobicContact CD2-CB 3.55Å; L284-I305 HydrophobicContact CD2-CD1 4.22Å; L284-I305 HydrophobicContact CD2-CG1 4.13Å; L284-I305 HydrophobicContact CD2-CG2 4Å; I305-M310 HydrophobicContact CD1-CE 4.46Å; I305-F423 HydrophobicContact CD1-CB 4.2Å
306	T	97.6	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.			trans	-129.9	154.3	-174.8	69.2	0	0	0	0	109.5	A154 H304 M310 W401	A154-T306 HydrophobicContact CB-CG2 3.68Å; H304-T306 HydrophobicContact CB-CG2 4.37Å; T306-M310 WeakPolarHBondContact O-CE 3.07Å; T306-W401 HydrophobicContact CG2-CB 4.29Å; T306-W401 HydrophobicContact CG2-CD2 3.92Å; T306-W401 HydrophobicContact CG2-CG 3.8Å; T306-W401 WeakPolarHBondContact OG1-CB 3.36Å
307	S	96.1	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-97.8	-20	178.6	53.9	0	0	0	0	113.6	V275 N309 M310 N311	V275-S307 PolarHBondContact N-OG 3.34Å; V275-S307 WeakPolarHBondContact O-CB 3.35Å; V275-S307 PolarHBondContact O-OG 3.15Å; S307-N309 VanDerWaalsContact C-N 3.35Å; S307-N309 PolarHBondContact O-N 3.11Å; S307-M310 PolarHBondContact O-N 3.06Å; S307-N311 CarbonylContact O-C 3.54Å; S307-N311 WeakPolarHBondContact O-CA 3.5Å; S307-N311 PolarHBondContact O-N 2.97Å
308	G	90.7	Very high	95.2	Very high	8 Å²	8	41.4 Å²	41.4	8%	0.082	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-36	-171	0	0	0	0	0	115.1	D274 P312	D274-G308 WeakPolarHBondContact OD1-CA 2.86Å; D274-G308 PolarHBondContact OD1-N 3.36Å; G308-P312 VanDerWaalsContact O-CB 3.31Å; G308-P312 WeakPolarHBondContact O-CB 3.43Å
309	N	87.8	Confident	95.3	Very high	76 Å²	76	31.3 Å²	31.3	41%	0.406	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-33.7	178.8	-78.1	28.8	0	0	0	112.5	S307 W401	S307-N309 VanDerWaalsContact C-N 3.35Å; S307-N309 PolarHBondContact O-N 3.11Å; N309-W401 PolarHBondContact ND2-N 2.98Å; N309-W401 PolarHBondContact ND2-O 2.81Å; N309-W401 PolarHBondContact OD1-N 3.01Å
310	M	91.8	Very high	95.5	Very high	34 Å²	34	31.1 Å²	31.1	17%	0.167	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-40.6	-174.3	-68.1	-169.1	-80.6	0	0	113.4	I305 T306 S307 V425 R426	I305-M310 HydrophobicContact CD1-CE 4.46Å; T306-M310 WeakPolarHBondContact O-CE 3.07Å; S307-M310 PolarHBondContact O-N 3.06Å; M310-V425 HydrophobicContact CB-CG2 3.87Å; M310-V425 HydrophobicContact CE-CG2 3.71Å; M310-V425 HydrophobicContact SD-CG2 4.3Å; M310-R426 HydrophobicContact CB-CG 4.09Å; M310-R426 WeakPolarHBondContact O-CG 3.44Å
311	N	96.3	Very high	95.5	Very high	30 Å²	30	31 Å²	31	16%	0.16	17%	0.166	C	C	.	.	S	Bend	trans	-151.5	68.8	-176.1	-172.9	3.9	0	0	0	110.9	S307 V425 L428 W430	S307-N311 CarbonylContact O-C 3.54Å; S307-N311 WeakPolarHBondContact O-CA 3.5Å; S307-N311 PolarHBondContact O-N 2.97Å; N311-V425 WeakPolarHBondContact CB-O 3.33Å; N311-V425 PolarHBondContact ND2-O 3.28Å; N311-L428 PolarHBondContact ND2-O 2.94Å; N311-W430 VanDerWaalsContact O-CZ2 3.25Å; N311-W430 WeakPolarHBondContact O-CZ2 3.33Å; N311-W430 PolarHBondContact O-NE1 3.34Å; N311-W430 PolarHBondContact OD1-NE1 2.95Å; N311-W430 VanDerWaalsContact OD1-NE1 3.13Å
312	P	96.1	Very high	95.5	Very high	76 Å²	76	30.6 Å²	30.6	49%	0.494	16%	0.164	S	C	.	.			trans	-63.4	138.9	-173.3	20.9	-30.6	0	0	0	113.3	V272 G308	V272-P312 HydrophobicContact CG1-CB 4.36Å; V272-P312 HydrophobicContact CG2-CB 4.46Å; G308-P312 VanDerWaalsContact O-CB 3.31Å; G308-P312 WeakPolarHBondContact O-CB 3.43Å
313	C	96.5	Very high	95.3	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.034	17%	0.174	C	C	.	.			trans	-136.1	137.3	167	-176.1	0	0	0	0	108.9	A273 M318 W430	A273-C313 WeakPolarHBondContact CB-O 3.43Å; A273-C313 PolarHBondContact N-O 3.25Å; C313-M318 HydrophobicContact CB-CE 3.78Å; C313-M318 VanDerWaalsContact SG-CG 3.54Å; C313-W430 HydrophobicContact CB-CD2 3.58Å; C313-W430 VanDerWaalsContact CB-CE2 3.43Å; C313-W430 HydrophobicContact CB-CE3 4.26Å; C313-W430 HydrophobicContact CB-CG 3.72Å; C313-W430 HydrophobicContact CB-CZ2 3.95Å
314	N	95.7	Very high	95.2	Very high	37 Å²	37	34.3 Å²	34.3	20%	0.198	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-92.5	161	-178.9	61.9	47.1	0	0	0	112.5	A271 H316 K317 M318	A271-N314 VanDerWaalsContact O-CA 3.28Å; A271-N314 WeakPolarHBondContact O-CA 3.13Å; A271-N314 WeakPolarHBondContact O-CB 3.31Å; N314-H316 PolarHBondContact O-N 3.04Å; N314-H316 WeakPolarHBondContact OD1-CB 3.4Å; N314-H316 PolarHBondContact OD1-N 2.91Å; N314-K317 PolarHBondContact O-N 2.91Å; N314-K317 WeakPolarHBondContact OD1-CB 3.36Å; N314-K317 PolarHBondContact OD1-N 3.4Å; N314-M318 PolarHBondContact O-N 2.96Å; N314-M318 VanDerWaalsContact O-N 3.12Å
315	W	94.6	Very high	95.1	Very high	34 Å²	34	34.3 Å²	34.3	13%	0.129	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-34.4	-180	-68.6	113.3	0	0	0	113.3	I231 P269 A271 A273 M318 G319 F342 I395	I231-W315 HydrophobicContact CD1-CH2 4.12Å; I231-W315 HydrophobicContact CD1-CZ2 4.28Å; P269-W315 PolarHBondContact O-N 3Å; A271-W315 VanDerWaalsContact O-CD1 3.25Å; A271-W315 PolarHBondContact O-N 2.87Å; A271-W315 VanDerWaalsContact O-N 3.14Å; A273-W315 HydrophobicContact CB-CD2 3.44Å; A273-W315 VanDerWaalsContact CB-CD2 3.44Å; A273-W315 HydrophobicContact CB-CE3 3.5Å; A273-W315 VanDerWaalsContact CB-CE3 3.5Å; A273-W315 HydrophobicContact CB-CG 4.05Å; A273-W315 HydrophobicContact CB-CH2 3.77Å; A273-W315 HydrophobicContact CB-CZ2 3.72Å; A273-W315 HydrophobicContact CB-CZ3 3.66Å; W315-M318 HydrophobicContact CZ3-SD 4.47Å; W315-G319 PolarHBondContact O-N 3.46Å; W315-F342 HydrophobicContact CB-CE1 3.94Å; W315-F342 HydrophobicContact CB-CZ 4.06Å; W315-F342 VanDerWaalsContact O-CZ 3.25Å; W315-F342 WeakPolarHBondContact O-CZ 3.2Å; W315-I395 HydrophobicContact CD2-CG2 4.21Å; W315-I395 HydrophobicContact CG-CG2 4.12Å; W315-I395 HydrophobicContact CZ2-CG1 4.45Å; W315-I395 PolarHBondContact NE1-O 3.18Å
316	H	94.8	Very high	95.1	Very high	93 Å²	93	34.5 Å²	34.5	43%	0.431	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-53.2	177.3	-178.8	71.5	0	0	0	112.2	P269 N314 M318 G319 V320	P269-H316 HydrophobicContact CB-CB 3.95Å; P269-H316 WeakPolarHBondContact O-CB 3.27Å; P269-H316 PolarHBondContact O-N 3.27Å; N314-H316 PolarHBondContact O-N 3.04Å; N314-H316 WeakPolarHBondContact OD1-CB 3.4Å; N314-H316 PolarHBondContact OD1-N 2.91Å; H316-M318 VanDerWaalsContact C-N 3.34Å; H316-M318 PolarHBondContact O-N 3.19Å; H316-G319 PolarHBondContact O-N 2.59Å; H316-G319 VanDerWaalsContact O-N 3.15Å; H316-V320 WeakPolarHBondContact O-CG2 3.26Å; H316-V320 PolarHBondContact O-N 3.45Å
317	K	95.1	Very high	94.9	Very high	100 Å²	100	40.7 Å²	40.7	44%	0.435	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-44.4	179.7	-176.5	175.8	177.3	-176.8	0	111	N314 Q321	N314-K317 PolarHBondContact O-N 2.91Å; N314-K317 WeakPolarHBondContact OD1-CB 3.36Å; N314-K317 PolarHBondContact OD1-N 3.4Å; K317-Q321 PolarHBondContact O-N 3.08Å; K317-Q321 VanDerWaalsContact O-N 3.17Å
318	M	94.8	Very high	94.8	Very high	11 Å²	11	45.5 Å²	45.5	5%	0.054	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-47	173.8	-68.5	-164.1	179.8	0	0	111.8	A273 V275 C313 N314 W315 H316 V320 Q321 V322 W430 I434	A273-M318 HydrophobicContact CB-CE 3.58Å; A273-M318 HydrophobicContact CB-CG 4.39Å; A273-M318 HydrophobicContact CB-SD 3.46Å; A273-M318 WeakPolarHBondContact CB-SD 3.4Å; A273-M318 VanDerWaalsContact O-CE 3.31Å; A273-M318 WeakPolarHBondContact O-CE 3.36Å; V275-M318 HydrophobicContact CB-CE 4.3Å; V275-M318 HydrophobicContact CG2-CE 4.2Å; V275-M318 HydrophobicContact CG2-SD 4.25Å; C313-M318 HydrophobicContact CB-CE 3.78Å; C313-M318 VanDerWaalsContact SG-CG 3.54Å; N314-M318 PolarHBondContact O-N 2.96Å; N314-M318 VanDerWaalsContact O-N 3.12Å; W315-M318 HydrophobicContact CZ3-SD 4.47Å; H316-M318 VanDerWaalsContact C-N 3.34Å; H316-M318 PolarHBondContact O-N 3.19Å; M318-V320 PolarHBondContact O-N 2.85Å; M318-Q321 PolarHBondContact O-N 3.47Å; M318-V322 WeakPolarHBondContact O-CG2 3.33Å; M318-V322 PolarHBondContact O-N 3.33Å; M318-W430 HydrophobicContact CE-CD2 4.3Å; M318-W430 HydrophobicContact CE-CE3 3.64Å; M318-W430 HydrophobicContact CE-CH2 3.65Å; M318-W430 HydrophobicContact CE-CZ2 4.31Å; M318-W430 HydrophobicContact CE-CZ3 3.29Å; M318-I434 HydrophobicContact CG-CD1 4.33Å; M318-I434 HydrophobicContact SD-CD1 4.26Å
319	G	94.5	Very high	95	Very high	12 Å²	12	46.1 Å²	46.1	12%	0.124	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-43.7	-178.8	0	0	0	0	0	113	W315 H316 V322 L323	W315-G319 PolarHBondContact O-N 3.46Å; H316-G319 PolarHBondContact O-N 2.59Å; H316-G319 VanDerWaalsContact O-N 3.15Å; G319-V322 PolarHBondContact O-N 2.98Å; G319-L323 WeakPolarHBondContact O-CG 3.49Å; G319-L323 PolarHBondContact O-N 2.88Å
320	V	95.5	Very high	95.4	Very high	78 Å²	78	42.6 Å²	42.6	47%	0.473	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-46	175.2	170.9	0	0	0	0	110.7	H316 M318 L323 A324	H316-V320 WeakPolarHBondContact O-CG2 3.26Å; H316-V320 PolarHBondContact O-N 3.45Å; M318-V320 PolarHBondContact O-N 2.85Å; V320-L323 PolarHBondContact O-N 2.89Å; V320-A324 WeakPolarHBondContact O-CB 3.5Å; V320-A324 PolarHBondContact O-N 2.62Å
321	Q	96.2	Very high	95.7	Very high	29 Å²	29	41 Å²	41	14%	0.136	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-38.1	179.7	-176.6	63.6	3.4	0	0	112.7	K317 M318 A324 T325 L431 I434	K317-Q321 PolarHBondContact O-N 3.08Å; K317-Q321 VanDerWaalsContact O-N 3.17Å; M318-Q321 PolarHBondContact O-N 3.47Å; Q321-A324 PolarHBondContact O-N 3.24Å; Q321-T325 WeakPolarHBondContact O-CB 3.36Å; Q321-T325 PolarHBondContact O-N 3.12Å; Q321-T325 PolarHBondContact O-OG1 2.77Å; Q321-L431 HydrophobicContact CB-CD2 4.08Å; Q321-L431 HydrophobicContact CG-CB 4.48Å; Q321-L431 HydrophobicContact CG-CD2 3.96Å; Q321-L431 PolarHBondContact NE2-O 2.92Å; Q321-I434 HydrophobicContact CB-CB 4.42Å; Q321-I434 HydrophobicContact CB-CG2 3.96Å; Q321-I434 HydrophobicContact CG-CB 3.8Å; Q321-I434 HydrophobicContact CG-CG2 3.62Å
322	V	96.7	Very high	95.7	Very high	17 Å²	17	42 Å²	42	10%	0.103	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-46.4	173	167	0	0	0	0	110.5	M318 G319 T325 F326 I434 V438	M318-V322 WeakPolarHBondContact O-CG2 3.33Å; M318-V322 PolarHBondContact O-N 3.33Å; G319-V322 PolarHBondContact O-N 2.98Å; V322-T325 PolarHBondContact O-N 3.43Å; V322-F326 HydrophobicContact CG1-CD2 4.01Å; V322-F326 HydrophobicContact CG1-CE2 3.32Å; V322-F326 HydrophobicContact CG1-CZ 3.7Å; V322-F326 WeakPolarHBondContact O-CD2 3.34Å; V322-F326 WeakPolarHBondContact O-CG 3.19Å; V322-F326 PolarHBondContact O-N 2.91Å; V322-I434 HydrophobicContact CB-CG2 4.45Å; V322-I434 HydrophobicContact CG2-CG2 3.52Å; V322-V438 HydrophobicContact CB-CG2 4.47Å; V322-V438 HydrophobicContact CG1-CG2 4.24Å; V322-V438 HydrophobicContact CG2-CG2 4.13Å
323	L	96.2	Very high	95.6	Very high	43 Å²	43	47.5 Å²	47.5	23%	0.225	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-44.1	178.2	-69.7	178.5	0	0	0	112.2	T257 G319 V320 T325 F326 E327 P338 A340	T257-L323 HydrophobicContact CG2-CD2 4.17Å; G319-L323 WeakPolarHBondContact O-CG 3.49Å; G319-L323 PolarHBondContact O-N 2.88Å; V320-L323 PolarHBondContact O-N 2.89Å; L323-T325 VanDerWaalsContact C-N 3.27Å; L323-T325 PolarHBondContact O-N 3.27Å; L323-F326 HydrophobicContact CD2-CD2 4.26Å; L323-F326 WeakPolarHBondContact O-CB 3.45Å; L323-F326 PolarHBondContact O-N 3.27Å; L323-F326 VanDerWaalsContact O-N 3.12Å; L323-E327 PolarHBondContact O-N 3.17Å; L323-P338 HydrophobicContact CD2-CB 4.19Å; L323-A340 HydrophobicContact CD1-CB 4.01Å; L323-A340 HydrophobicContact CD2-CB 4.15Å; L323-A340 HydrophobicContact CG-CB 4.22Å
324	A	96.3	Very high	95.5	Very high	38 Å²	38	47.3 Å²	47.3	31%	0.314	23%	0.227	S	C	.	.	H	α-helix	trans	-59.3	-40.1	175.1	0	0	0	0	0	111.4	V320 Q321 F326 E327 K328	V320-A324 WeakPolarHBondContact O-CB 3.5Å; V320-A324 PolarHBondContact O-N 2.62Å; Q321-A324 PolarHBondContact O-N 3.24Å; A324-F326 VanDerWaalsContact C-N 3.35Å; A324-F326 PolarHBondContact O-N 2.83Å; A324-E327 WeakPolarHBondContact O-CB 3.33Å; A324-E327 PolarHBondContact O-N 3.15Å; A324-K328 PolarHBondContact O-N 3.46Å
325	T	96.8	Very high	95.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-37.8	176	-53.4	0	0	0	0	111.6	Q321 V322 L323 E327 K328 I329 E435 V438	Q321-T325 WeakPolarHBondContact O-CB 3.36Å; Q321-T325 PolarHBondContact O-N 3.12Å; Q321-T325 PolarHBondContact O-OG1 2.77Å; V322-T325 PolarHBondContact O-N 3.43Å; L323-T325 VanDerWaalsContact C-N 3.27Å; L323-T325 PolarHBondContact O-N 3.27Å; T325-E327 PolarHBondContact O-N 3.23Å; T325-K328 PolarHBondContact O-N 3.24Å; T325-K328 VanDerWaalsContact O-N 3.15Å; T325-I329 HydrophobicContact CG2-CD1 4.29Å; T325-I329 PolarHBondContact O-N 3.29Å; T325-E435 HydrophobicContact CG2-CB 4.47Å; T325-E435 HydrophobicContact CG2-CG 4.04Å; T325-V438 HydrophobicContact CG2-CB 3.72Å; T325-V438 HydrophobicContact CG2-CG1 3.7Å; T325-V438 HydrophobicContact CG2-CG2 4.37Å
326	F	96.6	Very high	95.4	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.013	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-24.7	174.9	-68.1	-41.7	0	0	0	114.2	I254 T257 V322 L323 A324 P330 F331 P338 V438	I254-F326 HydrophobicContact CG2-CE1 4.33Å; I254-F326 HydrophobicContact CG2-CZ 3.92Å; I254-F326 WeakPolarHBondContact O-CZ 3.39Å; T257-F326 HydrophobicContact CG2-CE2 3.89Å; V322-F326 HydrophobicContact CG1-CD2 4.01Å; V322-F326 HydrophobicContact CG1-CE2 3.32Å; V322-F326 HydrophobicContact CG1-CZ 3.7Å; V322-F326 WeakPolarHBondContact O-CD2 3.34Å; V322-F326 WeakPolarHBondContact O-CG 3.19Å; V322-F326 PolarHBondContact O-N 2.91Å; L323-F326 HydrophobicContact CD2-CD2 4.26Å; L323-F326 WeakPolarHBondContact O-CB 3.45Å; L323-F326 PolarHBondContact O-N 3.27Å; L323-F326 VanDerWaalsContact O-N 3.12Å; A324-F326 VanDerWaalsContact C-N 3.35Å; A324-F326 PolarHBondContact O-N 2.83Å; F326-P330 VanDerWaalsContact O-CA 3.31Å; F326-P330 WeakPolarHBondContact O-CA 3.4Å; F326-P330 WeakPolarHBondContact O-CB 3.38Å; F326-P330 WeakPolarHBondContact O-CD 3.28Å; F326-F331 HydrophobicContact CD1-CE1 4.48Å; F326-F331 HydrophobicContact CD1-CZ 4.47Å; F326-F331 HydrophobicContact CE1-CD1 4.39Å; F326-F331 HydrophobicContact CE1-CD2 4.1Å; F326-F331 AromaticContact CE1-CE1 3.91Å; F326-F331 HydrophobicContact CE1-CE1 3.91Å; F326-F331 AromaticContact CE1-CE2 3.59Å; F326-F331 HydrophobicContact CE1-CE2 3.59Å; F326-F331 HydrophobicContact CE1-CG 4.48Å; F326-F331 AromaticContact CE1-CZ 3.51Å; F326-F331 HydrophobicContact CE1-CZ 3.51Å; F326-F331 HydrophobicContact CZ-CE2 4.06Å; F326-F331 HydrophobicContact CZ-CZ 4.25Å; F326-P338 HydrophobicContact CB-CB 4.22Å; F326-P338 HydrophobicContact CB-CG 3.99Å; F326-P338 HydrophobicContact CD2-CB 3.65Å; F326-P338 HydrophobicContact CD2-CG 4.09Å; F326-P338 HydrophobicContact CE2-CB 4.34Å; F326-P338 HydrophobicContact CG-CB 4.18Å; F326-P338 HydrophobicContact CG-CG 4.13Å; F326-V438 HydrophobicContact CD1-CG1 3.84Å; F326-V438 HydrophobicContact CE1-CG1 3.53Å; F326-V438 HydrophobicContact CZ-CG1 4.38Å
327	E	94	Very high	95.4	Very high	130 Å²	130	47.6 Å²	47.6	61%	0.607	22%	0.223	S	C	*	.	H	α-helix	trans	-71.3	-37.9	173.2	-59.2	-162.3	147.9	0	0	111.5	L323 A324 T325 K457	L323-E327 PolarHBondContact O-N 3.17Å; A324-E327 WeakPolarHBondContact O-CB 3.33Å; A324-E327 PolarHBondContact O-N 3.15Å; T325-E327 PolarHBondContact O-N 3.23Å; E327-K457 WeakPolarHBondContact O-CE 3.43Å
328	K	94.8	Very high	95.3	Very high	101 Å²	101	43.9 Å²	43.9	44%	0.439	21%	0.209	S	C	.	.	H	α-helix	trans	-74.8	-46.8	175.7	-60.7	-179.7	-173.5	176	0	112.2	A324 T325 E435 K457	A324-K328 PolarHBondContact O-N 3.46Å; T325-K328 PolarHBondContact O-N 3.24Å; T325-K328 VanDerWaalsContact O-N 3.15Å; K328-E435 WeakPolarHBondContact CD-OE1 3.5Å; K328-E435 IonicContact NZ-OE1 2.9Å; K328-E435 PolarHBondContact NZ-OE1 2.96Å; K328-E435 VanDerWaalsContact NZ-OE1 3.11Å; K328-E435 IonicContact NZ-OE2 3.17Å; K328-E435 PolarHBondContact NZ-OE2 3.07Å; K328-K457 WeakPolarHBondContact O-CE 3.35Å; K328-K457 PolarHBondContact O-NZ 3.36Å
329	I	94.4	Very high	95.2	Very high	22 Å²	22	45.4 Å²	45.4	11%	0.113	22%	0.217	C	C	.	.	S	Bend	trans	-131	74	-170.3	-56.3	159.1	0	0	0	109.1	T325 L439 K442 M450 I453	T325-I329 HydrophobicContact CG2-CD1 4.29Å; T325-I329 PolarHBondContact O-N 3.29Å; I329-L439 HydrophobicContact CD1-CD1 4.28Å; I329-L439 HydrophobicContact CG2-CD1 4.46Å; I329-K442 HydrophobicContact CG2-CD 3.62Å; I329-M450 HydrophobicContact CG2-CE 4.32Å; I329-I453 HydrophobicContact CG1-CD1 4.36Å; I329-I453 HydrophobicContact CG2-CD1 3.93Å; I329-I453 HydrophobicContact CG2-CG1 4.41Å
330	P	96.6	Very high	94.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-70.5	145.9	177.4	26.5	-34.1	0	0	0	112.6	F326 K442 A456 K457 L460	F326-P330 VanDerWaalsContact O-CA 3.31Å; F326-P330 WeakPolarHBondContact O-CA 3.4Å; F326-P330 WeakPolarHBondContact O-CB 3.38Å; F326-P330 WeakPolarHBondContact O-CD 3.28Å; P330-K442 PolarHBondContact O-NZ 2.91Å; P330-A456 HydrophobicContact CB-CB 4.1Å; P330-A456 HydrophobicContact CG-CB 3.7Å; P330-K457 HydrophobicContact CG-CB 4.46Å; P330-K457 HydrophobicContact CG-CG 3.67Å; P330-L460 HydrophobicContact CB-CD1 3.52Å; P330-L460 HydrophobicContact CB-CG 4.1Å; P330-L460 HydrophobicContact CG-CD1 4.22Å
331	F	97.3	Very high	94.3	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-68.2	154.1	167.8	-63.7	-16.6	0	0	0	111.3	I254 K259 F326 P334 V438 V441 K442 L446 E448	I254-F331 HydrophobicContact CG2-CE2 4.28Å; I254-F331 HydrophobicContact CG2-CZ 3.97Å; K259-F331 HydrophobicContact CD-CB 4.2Å; F326-F331 HydrophobicContact CD1-CE1 4.48Å; F326-F331 HydrophobicContact CD1-CZ 4.47Å; F326-F331 HydrophobicContact CE1-CD1 4.39Å; F326-F331 HydrophobicContact CE1-CD2 4.1Å; F326-F331 AromaticContact CE1-CE1 3.91Å; F326-F331 HydrophobicContact CE1-CE1 3.91Å; F326-F331 AromaticContact CE1-CE2 3.59Å; F326-F331 HydrophobicContact CE1-CE2 3.59Å; F326-F331 HydrophobicContact CE1-CG 4.48Å; F326-F331 AromaticContact CE1-CZ 3.51Å; F326-F331 HydrophobicContact CE1-CZ 3.51Å; F326-F331 HydrophobicContact CZ-CE2 4.06Å; F326-F331 HydrophobicContact CZ-CZ 4.25Å; F331-P334 WeakPolarHBondContact O-CD 3.48Å; F331-V438 HydrophobicContact CE1-CG1 4.16Å; F331-V438 HydrophobicContact CZ-CG1 4.29Å; F331-V441 HydrophobicContact CE2-CG1 4.3Å; F331-V441 HydrophobicContact CZ-CB 4.3Å; F331-V441 HydrophobicContact CZ-CG1 3.7Å; F331-K442 HydrophobicContact CD1-CB 3.95Å; F331-K442 HydrophobicContact CD1-CD 4.41Å; F331-K442 HydrophobicContact CD1-CG 4.1Å; F331-K442 HydrophobicContact CE1-CB 3.7Å; F331-K442 HydrophobicContact CE1-CG 4.36Å; F331-L446 HydrophobicContact CB-CD1 4.23Å; F331-L446 HydrophobicContact CD1-CD1 3.89Å; F331-L446 HydrophobicContact CD2-CD1 3.54Å; F331-L446 HydrophobicContact CE1-CD1 4.09Å; F331-L446 HydrophobicContact CE2-CD1 3.76Å; F331-L446 HydrophobicContact CG-CD1 3.61Å; F331-L446 HydrophobicContact CZ-CD1 4Å; F331-E448 VanDerWaalsContact CA-OE2 3.31Å; F331-E448 WeakPolarHBondContact CA-OE2 3.4Å
332	E	96.3	Very high	94	Very high	52 Å²	52	45.9 Å²	45.9	24%	0.243	22%	0.216	C	C	.	.	S	Bend	trans	-73.7	150.2	176.9	-67	-172	-152.3	0	0	111.8	K259 E448	K259-E332 PolarHBondContact NZ-O 3.39Å; E332-E448 HydrophobicContact CB-CG 4.17Å; E332-E448 WeakPolarHBondContact CB-OE1 3.27Å; E332-E448 HydrophobicContact CG-CB 4.3Å; E332-E448 HydrophobicContact CG-CG 4.1Å; E332-E448 PolarHBondContact N-OE1 3.15Å; E332-E448 VanDerWaalsContact N-OE1 3.11Å; E332-E448 PolarHBondContact N-OE2 3.48Å
333	R	93.3	Very high	93.5	Very high	191 Å²	191	45.3 Å²	45.3	72%	0.721	21%	0.212	S	C	*	.	S	Bend	trans	48.1	45.2	174.3	-52.6	177.9	-172.4	-174.1	0.1	115	F335	R333-F335 PolarHBondContact O-N 3.39Å
334	P	95.4	Very high	92.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	23%	0.234	C	C	.	.			trans	-62	142.2	177.7	28	-35	0	0	0	110	F331 R459 L460 L463	F331-P334 WeakPolarHBondContact O-CD 3.48Å; P334-R459 HydrophobicContact CG-CG 4.44Å; P334-R459 PolarHBondContact O-NE 2.94Å; P334-R459 PolarHBondContact O-NH2 3.16Å; P334-L460 HydrophobicContact CB-CD2 4.47Å; P334-L460 HydrophobicContact CG-CD2 3.75Å; P334-L463 HydrophobicContact CB-CD1 4.5Å; P334-L463 HydrophobicContact CG-CD1 3.95Å
335	F	94.3	Very high	92.5	Very high	42 Å²	42	49.8 Å²	49.8	18%	0.184	24%	0.238	C	C	.	.	S	Bend	trans	-69.2	-43.6	176	173.4	-117.1	0	0	0	110.4	K259 F261 R333 Y364 M377	K259-F335 WeakPolarHBondContact O-CB 3.46Å; K259-F335 PolarHBondContact O-N 3.17Å; F261-F335 HydrophobicContact CD1-CB 3.95Å; F261-F335 AromaticContact CD1-CD1 3.92Å; F261-F335 HydrophobicContact CD1-CD1 3.92Å; F261-F335 HydrophobicContact CD1-CG 4.17Å; F261-F335 HydrophobicContact CE1-CB 3.41Å; F261-F335 VanDerWaalsContact CE1-CB 3.41Å; F261-F335 AromaticContact CE1-CD1 4Å; F261-F335 HydrophobicContact CE1-CD1 4Å; F261-F335 AromaticContact CE1-CG 3.78Å; F261-F335 HydrophobicContact CE1-CG 3.78Å; F261-F335 HydrophobicContact CZ-CB 4.08Å; R333-F335 PolarHBondContact O-N 3.39Å; F335-Y364 AromaticContact CE2-CD2 3.78Å; F335-Y364 HydrophobicContact CE2-CD2 3.78Å; F335-Y364 HydrophobicContact CE2-CE2 4.1Å; F335-Y364 AromaticContact CE2-CG 3.99Å; F335-Y364 HydrophobicContact CE2-CG 3.99Å; F335-Y364 HydrophobicContact CZ-CD2 4.45Å; F335-Y364 HydrophobicContact CZ-CG 4.37Å; F335-M377 HydrophobicContact CD1-CE 4.24Å; F335-M377 HydrophobicContact CD2-CE 3.64Å; F335-M377 HydrophobicContact CE1-CE 4.17Å; F335-M377 HydrophobicContact CE2-CE 3.57Å; F335-M377 HydrophobicContact CG-CE 4Å; F335-M377 HydrophobicContact CZ-CE 3.84Å
336	R	93.7	Very high	92.1	Very high	47 Å²	47	53 Å²	53	18%	0.177	26%	0.261	C	S	.	.	S	Bend	trans	-141	170.1	173.1	-72.2	-178.6	-69	171.6	-3.2	109.6	K259 G260 R263 S356	K259-R336 PolarHBondContact O-N 3.31Å; G260-R336 PolarHBondContact O-NE 2.9Å; G260-R336 PolarHBondContact O-NH2 3.46Å; R263-R336 VanDerWaalsContact CD-NH1 3.34Å; R336-S356 PolarHBondContact NH1-O 2.82Å; R336-S356 PolarHBondContact NH2-O 3.18Å
337	R	93.9	Very high	91.8	Very high	80 Å²	80	60.3 Å²	60.3	30%	0.302	29%	0.293	S	S	.	.			trans	-57.2	138.9	173.7	-66.2	-169.7	71	-156.3	-3.1	110.3	R263 N339 L460 L463	R263-R337 PolarHBondContact NH1-O 3.43Å; R337-N339 PolarHBondContact O-N 3.12Å; R337-L460 HydrophobicContact CG-CD2 4.43Å; R337-L463 HydrophobicContact CG-CB 3.91Å
338	P	94.7	Very high	91.7	Very high	23 Å²	23	56.2 Å²	56.2	15%	0.149	28%	0.277	C	S	.	.			trans	-52.7	139.6	169.7	-24.3	32.8	0	0	0	111.1	T257 L323 F326	T257-P338 WeakPolarHBondContact O-CA 3.47Å; L323-P338 HydrophobicContact CD2-CB 4.19Å; F326-P338 HydrophobicContact CB-CB 4.22Å; F326-P338 HydrophobicContact CB-CG 3.99Å; F326-P338 HydrophobicContact CD2-CB 3.65Å; F326-P338 HydrophobicContact CD2-CG 4.09Å; F326-P338 HydrophobicContact CE2-CB 4.34Å; F326-P338 HydrophobicContact CG-CB 4.18Å; F326-P338 HydrophobicContact CG-CG 4.13Å
339	N	91.4	Very high	91.5	Very high	42 Å²	42	51.8 Å²	51.8	23%	0.225	26%	0.259	C	S	.	.			trans	-156.3	149.8	171.1	-166.5	27.1	0	0	0	109.1	R263 R337 N341	R263-N339 WeakPolarHBondContact CA-O 3.44Å; R263-N339 HydrophobicContact CB-CB 4.49Å; R337-N339 PolarHBondContact O-N 3.12Å; N339-N341 PolarHBondContact ND2-OD1 2.89Å; N339-N341 VanDerWaalsContact ND2-OD1 3.09Å; N339-N341 PolarHBondContact OD1-OD1 3.27Å
340	A	83	Confident	91.5	Very high	19 Å²	19	56.8 Å²	56.8	16%	0.157	28%	0.282	C	S	.	.			trans	-144	76.4	179.5	0	0	0	0	0	110.9	T257 L323	T257-A340 HydrophobicContact CG2-CB 4.09Å; L323-A340 HydrophobicContact CD1-CB 4.01Å; L323-A340 HydrophobicContact CD2-CB 4.15Å; L323-A340 HydrophobicContact CG-CB 4.22Å
341	N	88.7	Confident	91.3	Very high	55 Å²	55	62.6 Å²	62.6	29%	0.294	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.6	174.6	-69.7	-0.2	0	0	0	110.2	R263 A264 I265 N339	R263-N341 PolarHBondContact O-N 2.99Å; A264-N341 CarbonylContact C-O 3.36Å; A264-N341 WeakPolarHBondContact CA-O 3.46Å; A264-N341 HydrophobicContact CB-CB 4.12Å; I265-N341 PolarHBondContact N-O 3.03Å; N339-N341 PolarHBondContact ND2-OD1 2.89Å; N339-N341 VanDerWaalsContact ND2-OD1 3.09Å; N339-N341 PolarHBondContact OD1-OD1 3.27Å
342	F	89.3	Confident	91.1	Very high	56 Å²	56	66.1 Å²	66.1	25%	0.246	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.9	168.2	-65.1	-77.3	0	0	0	109.8	A267 P269 W315	A267-F342 HydrophobicContact CB-CD1 3.63Å; A267-F342 HydrophobicContact CB-CE1 4.18Å; P269-F342 HydrophobicContact CB-CB 4.1Å; P269-F342 HydrophobicContact CB-CD2 4.27Å; P269-F342 HydrophobicContact CB-CG 4.08Å; P269-F342 HydrophobicContact CG-CB 4.46Å; W315-F342 HydrophobicContact CB-CE1 3.94Å; W315-F342 HydrophobicContact CB-CZ 4.06Å; W315-F342 VanDerWaalsContact O-CZ 3.25Å; W315-F342 WeakPolarHBondContact O-CZ 3.2Å
343	T	87.7	Confident	91	Very high	5 Å²	5	65 Å²	65	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.3	176	62.9	0	0	0	0	109.5	A264 I265 K266 A267 T348 S349 W352	A264-T343 HydrophobicContact CB-CG2 4.35Å; I265-T343 PolarHBondContact O-N 3.3Å; I265-T343 PolarHBondContact O-OG1 2.76Å; K266-T343 CarbonylContact C-O 3.59Å; K266-T343 VanDerWaalsContact CA-O 3.3Å; K266-T343 WeakPolarHBondContact CA-O 3.31Å; K266-T343 WeakPolarHBondContact CA-OG1 3.42Å; A267-T343 PolarHBondContact N-O 3.02Å; T343-T348 HydrophobicContact CG2-CG2 3.97Å; T343-S349 WeakPolarHBondContact OG1-CB 3.28Å; T343-W352 HydrophobicContact CG2-CG 4.43Å
344	S	82.9	Confident	91.1	Very high	96 Å²	96	58 Å²	58	67%	0.671	30%	0.296	S	S	*	.			trans	-88.5	-35.6	-178.1	52.8	0	0	0	0	112.7
345	N	87.1	Confident	90.9	Very high	78 Å²	78	61.2 Å²	61.2	42%	0.417	32%	0.316	S	S	.	.	S	Bend	trans	-102.6	152.7	-177.2	70.6	49.5	0	0	0	113.2	F347 T348 S349	N345-F347 PolarHBondContact O-N 3.23Å; N345-T348 PolarHBondContact ND2-OG1 3.38Å; N345-T348 WeakPolarHBondContact OD1-CA 3.3Å; N345-T348 WeakPolarHBondContact OD1-CB 3.44Å; N345-T348 PolarHBondContact OD1-N 3.13Å; N345-T348 PolarHBondContact OD1-OG1 2.75Å; N345-S349 PolarHBondContact O-N 3.16Å; N345-S349 VanDerWaalsContact O-N 3.11Å
346	S	87.9	Confident	90.9	Very high	69 Å²	69	59.9 Å²	59.9	48%	0.483	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-39.3	-176.4	55.5	0	0	0	0	112.7	S349 Q350	S346-S349 PolarHBondContact O-N 2.74Å; S346-Q350 VanDerWaalsContact O-CG 3.32Å; S346-Q350 WeakPolarHBondContact O-CG 3.39Å; S346-Q350 PolarHBondContact O-N 2.82Å
347	F	91.5	Very high	90.9	Very high	155 Å²	155	57.6 Å²	57.6	68%	0.68	30%	0.303	S	S	*	.	H	α-helix	trans	-61.9	-49.5	-179.7	-178.4	-98	0	0	0	112.1	N345 S349 Q350 Y351	N345-F347 PolarHBondContact O-N 3.23Å; F347-S349 VanDerWaalsContact C-N 3.32Å; F347-S349 PolarHBondContact O-N 3.44Å; F347-Q350 PolarHBondContact O-N 2.88Å; F347-Y351 PolarHBondContact O-N 3.45Å
348	T	91.4	Very high	91	Very high	45 Å²	45	59.3 Å²	59.3	28%	0.276	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-39.9	177.9	-55.6	0	0	0	0	110.5	T343 N345 Y351 W352	T343-T348 HydrophobicContact CG2-CG2 3.97Å; N345-T348 PolarHBondContact ND2-OG1 3.38Å; N345-T348 WeakPolarHBondContact OD1-CA 3.3Å; N345-T348 WeakPolarHBondContact OD1-CB 3.44Å; N345-T348 PolarHBondContact OD1-N 3.13Å; N345-T348 PolarHBondContact OD1-OG1 2.75Å; T348-Y351 PolarHBondContact O-N 2.76Å; T348-W352 VanDerWaalsContact CG2-CD1 3.47Å; T348-W352 PolarHBondContact O-N 3.32Å
349	S	91.3	Very high	91.1	Very high	8 Å²	8	60.1 Å²	60.1	6%	0.056	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-46.6	173.5	178.8	0	0	0	0	112.2	T343 N345 S346 F347 Y351 W352 N353	T343-S349 WeakPolarHBondContact OG1-CB 3.28Å; N345-S349 PolarHBondContact O-N 3.16Å; N345-S349 VanDerWaalsContact O-N 3.11Å; S346-S349 PolarHBondContact O-N 2.74Å; F347-S349 VanDerWaalsContact C-N 3.32Å; F347-S349 PolarHBondContact O-N 3.44Å; S349-Y351 PolarHBondContact O-N 3.39Å; S349-W352 PolarHBondContact O-N 3.37Å; S349-N353 VanDerWaalsContact O-CB 3.3Å; S349-N353 WeakPolarHBondContact O-CB 3.4Å; S349-N353 PolarHBondContact O-N 2.93Å; S349-N353 PolarHBondContact O-ND2 3.3Å; S349-N353 PolarHBondContact OG-ND2 3.36Å
350	Q	92.8	Very high	91.2	Very high	127 Å²	127	59.4 Å²	59.4	59%	0.593	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-43.2	177.7	-73.2	179.2	33.8	0	0	112	S346 F347 N353 A354	S346-Q350 VanDerWaalsContact O-CG 3.32Å; S346-Q350 WeakPolarHBondContact O-CG 3.39Å; S346-Q350 PolarHBondContact O-N 2.82Å; F347-Q350 PolarHBondContact O-N 2.88Å; Q350-N353 PolarHBondContact O-N 2.89Å; Q350-A354 WeakPolarHBondContact O-CB 3.49Å; Q350-A354 PolarHBondContact O-N 3.23Å
351	Y	94.2	Very high	91.9	Very high	123 Å²	123	58.6 Å²	58.6	48%	0.482	31%	0.309	S	S	.	.	H	α-helix	trans	-56.9	-52	174.3	171.5	-95.1	0	0	0	111.5	F347 T348 S349 N353 A354 V355	F347-Y351 PolarHBondContact O-N 3.45Å; T348-Y351 PolarHBondContact O-N 2.76Å; S349-Y351 PolarHBondContact O-N 3.39Å; Y351-N353 PolarHBondContact O-N 3.36Å; Y351-A354 PolarHBondContact O-N 2.88Å; Y351-V355 HydrophobicContact CD2-CG2 4.16Å; Y351-V355 HydrophobicContact CE1-CG2 4.48Å; Y351-V355 HydrophobicContact CE2-CG2 3.78Å; Y351-V355 PolarHBondContact O-N 3.15Å
352	W	93.1	Very high	92.3	Very high	75 Å²	75	60.8 Å²	60.8	28%	0.284	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-38.6	179	-74.1	116.2	0	0	0	112	A264 T343 T348 S349 A354 V355 S356 H357	A264-W352 HydrophobicContact CB-CB 3.78Å; A264-W352 HydrophobicContact CB-CG 4.12Å; T343-W352 HydrophobicContact CG2-CG 4.43Å; T348-W352 VanDerWaalsContact CG2-CD1 3.47Å; T348-W352 PolarHBondContact O-N 3.32Å; S349-W352 PolarHBondContact O-N 3.37Å; W352-A354 VanDerWaalsContact C-N 3.29Å; W352-A354 PolarHBondContact O-N 3.23Å; W352-V355 PolarHBondContact O-N 3.2Å; W352-S356 VanDerWaalsContact CE3-OG 3.28Å; W352-S356 WeakPolarHBondContact O-CA 3.39Å; W352-S356 WeakPolarHBondContact O-CB 3.27Å; W352-S356 PolarHBondContact O-N 3.3Å; W352-H357 PolarHBondContact O-ND1 3.4Å
353	N	93.5	Very high	92.6	Very high	28 Å²	28	63.8 Å²	63.8	15%	0.15	34%	0.337	C	S	.	.	I	π-helix	trans	-61	-37.7	174.1	-74.7	-24.2	0	0	0	112	S349 Q350 Y351 H357 R358 L385	S349-N353 VanDerWaalsContact O-CB 3.3Å; S349-N353 WeakPolarHBondContact O-CB 3.4Å; S349-N353 PolarHBondContact O-N 2.93Å; S349-N353 PolarHBondContact O-ND2 3.3Å; S349-N353 PolarHBondContact OG-ND2 3.36Å; Q350-N353 PolarHBondContact O-N 2.89Å; Y351-N353 PolarHBondContact O-N 3.36Å; N353-H357 WeakPolarHBondContact O-CB 3.38Å; N353-H357 PolarHBondContact O-N 3.41Å; N353-R358 WeakPolarHBondContact O-CG 3.5Å; N353-R358 PolarHBondContact O-N 3.12Å; N353-L385 WeakPolarHBondContact OD1-CD2 3.5Å
354	A	94.4	Very high	93	Very high	43 Å²	43	66.4 Å²	66.4	36%	0.355	35%	0.347	S	S	.	.	I	π-helix	trans	-69.3	-55.5	175.4	0	0	0	0	0	111.7	Q350 Y351 W352 A359	Q350-A354 WeakPolarHBondContact O-CB 3.49Å; Q350-A354 PolarHBondContact O-N 3.23Å; Y351-A354 PolarHBondContact O-N 2.88Å; W352-A354 VanDerWaalsContact C-N 3.29Å; W352-A354 PolarHBondContact O-N 3.23Å; A354-A359 WeakPolarHBondContact O-CB 3.34Å; A354-A359 PolarHBondContact O-N 2.9Å
355	V	93	Very high	93.7	Very high	69 Å²	69	62.3 Å²	62.3	42%	0.418	32%	0.318	S	S	.	.	I	π-helix	trans	-81.6	-40.7	-169.6	177.9	0	0	0	0	112.8	Y351 W352 P360	Y351-V355 HydrophobicContact CD2-CG2 4.16Å; Y351-V355 HydrophobicContact CE1-CG2 4.48Å; Y351-V355 HydrophobicContact CE2-CG2 3.78Å; Y351-V355 PolarHBondContact O-N 3.15Å; W352-V355 PolarHBondContact O-N 3.2Å; V355-P360 WeakPolarHBondContact O-CD 3.48Å; V355-P360 WeakPolarHBondContact O-CG 3.33Å
356	S	92.7	Very high	94.2	Very high	14 Å²	14	61.8 Å²	61.8	10%	0.098	32%	0.319	C	S	.	.	I	π-helix	trans	-90.8	-20.4	-176.5	-83.2	0	0	0	0	114	R336 W352	R336-S356 PolarHBondContact NH1-O 2.82Å; R336-S356 PolarHBondContact NH2-O 3.18Å; W352-S356 VanDerWaalsContact CE3-OG 3.28Å; W352-S356 WeakPolarHBondContact O-CA 3.39Å; W352-S356 WeakPolarHBondContact O-CB 3.27Å; W352-S356 PolarHBondContact O-N 3.3Å
357	H	95.1	Very high	94.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	I	π-helix	trans	-118.6	-61.1	-175.5	-55.7	89.7	0	0	0	112.7	F261 R263 A264 W352 N353 A361 M381 L385	F261-H357 PolarHBondContact O-CD2 3.09Å; F261-H357 VanDerWaalsContact O-CD2 3.3Å; R263-H357 PolarHBondContact N-NE2 2.88Å; A264-H357 PolarHBondContact O-CE1 2.79Å; W352-H357 PolarHBondContact O-ND1 3.4Å; N353-H357 WeakPolarHBondContact O-CB 3.38Å; N353-H357 PolarHBondContact O-N 3.41Å; H357-A361 WeakPolarHBondContact O-CB 3.38Å; H357-A361 PolarHBondContact O-N 3.01Å; H357-M381 HydrophobicContact CB-CE 4.35Å; H357-M381 HydrophobicContact CB-CG 3.79Å; H357-M381 HydrophobicContact CB-SD 3.62Å; H357-L385 HydrophobicContact CB-CD1 4.23Å; H357-L385 HydrophobicContact CB-CD2 4.39Å
358	R	96	Very high	94.9	Very high	115 Å²	115	57 Å²	57	43%	0.434	29%	0.287	S	S	.	.	I	π-helix	trans	-70.6	-51.9	-173.7	-67.4	-175.5	-174.6	114.1	-2.3	113.5	N353 A361 I362 L385	N353-R358 WeakPolarHBondContact O-CG 3.5Å; N353-R358 PolarHBondContact O-N 3.12Å; R358-A361 WeakPolarHBondContact O-CB 3.31Å; R358-A361 PolarHBondContact O-N 3.21Å; R358-A361 VanDerWaalsContact O-N 3.11Å; R358-I362 WeakPolarHBondContact O-CG1 3.48Å; R358-I362 PolarHBondContact O-N 3.02Å; R358-L385 HydrophobicContact CG-CD1 4.29Å
359	A	95.6	Very high	95.2	Very high	41 Å²	41	63.1 Å²	63.1	34%	0.339	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-46.6	-177.5	0	0	0	0	0	112.8	A354 A361 I362 I363	A354-A359 WeakPolarHBondContact O-CB 3.34Å; A354-A359 PolarHBondContact O-N 2.9Å; A359-A361 VanDerWaalsContact C-N 3.26Å; A359-A361 PolarHBondContact O-N 2.99Å; A359-I362 PolarHBondContact O-N 3.22Å; A359-I363 VanDerWaalsContact O-CG1 3.3Å; A359-I363 WeakPolarHBondContact O-CG1 3.41Å; A359-I363 PolarHBondContact O-N 3.35Å
360	P	94.3	Very high	95.5	Very high	27 Å²	27	69.6 Å²	69.6	18%	0.175	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-32.3	175	-25.6	36.6	0	0	0	113.4	V355 Y364	V355-P360 WeakPolarHBondContact O-CD 3.48Å; V355-P360 WeakPolarHBondContact O-CG 3.33Å; P360-Y364 VanDerWaalsContact O-CB 3.27Å; P360-Y364 WeakPolarHBondContact O-CB 3.5Å; P360-Y364 PolarHBondContact O-N 3.49Å
361	A	96.6	Very high	95.7	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-43.6	176.4	0	0	0	0	0	111.9	H357 R358 A359 Y364 D365 M377 M381	H357-A361 WeakPolarHBondContact O-CB 3.38Å; H357-A361 PolarHBondContact O-N 3.01Å; R358-A361 WeakPolarHBondContact O-CB 3.31Å; R358-A361 PolarHBondContact O-N 3.21Å; R358-A361 VanDerWaalsContact O-N 3.11Å; A359-A361 VanDerWaalsContact C-N 3.26Å; A359-A361 PolarHBondContact O-N 2.99Å; A361-Y364 PolarHBondContact O-N 2.87Å; A361-D365 WeakPolarHBondContact O-CB 3.41Å; A361-D365 PolarHBondContact O-N 3.01Å; A361-M377 HydrophobicContact CB-CB 4.2Å; A361-M377 HydrophobicContact CB-CG 3.65Å; A361-M381 HydrophobicContact CB-CB 4.03Å; A361-M381 HydrophobicContact CB-CG 4.43Å
362	I	97.4	Very high	95.7	Very high	102 Å²	102	64.2 Å²	64.2	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-47.3	176.5	-66.1	166.4	0	0	0	110.8	R358 A359 Y364 D365 C366	R358-I362 WeakPolarHBondContact O-CG1 3.48Å; R358-I362 PolarHBondContact O-N 3.02Å; A359-I362 PolarHBondContact O-N 3.22Å; I362-Y364 VanDerWaalsContact C-N 3.3Å; I362-Y364 PolarHBondContact O-N 3.46Å; I362-D365 PolarHBondContact O-N 3.16Å; I362-C366 WeakPolarHBondContact O-CB 3.33Å; I362-C366 PolarHBondContact O-N 3.38Å
363	I	95.9	Very high	95.9	Very high	119 Å²	119	67.8 Å²	67.8	61%	0.61	36%	0.356	S	S	*	.	H	α-helix	trans	-58.4	-44.7	177.8	-67.8	165.7	0	0	0	110.3	A359 C366 Y367	A359-I363 VanDerWaalsContact O-CG1 3.3Å; A359-I363 WeakPolarHBondContact O-CG1 3.41Å; A359-I363 PolarHBondContact O-N 3.35Å; I363-C366 WeakPolarHBondContact O-CB 3.24Å; I363-C366 PolarHBondContact O-N 2.91Å; I363-Y367 PolarHBondContact O-N 3.4Å
364	Y	96.2	Very high	96.1	Very high	60 Å²	60	75.5 Å²	75.5	24%	0.235	39%	0.388	C	S	.	.	H	α-helix	trans	-67.6	-39.2	178.9	-172.1	-101	0	0	0	112.6	F335 P360 A361 I362 C366 Y367 L368 M377	F335-Y364 AromaticContact CE2-CD2 3.78Å; F335-Y364 HydrophobicContact CE2-CD2 3.78Å; F335-Y364 HydrophobicContact CE2-CE2 4.1Å; F335-Y364 AromaticContact CE2-CG 3.99Å; F335-Y364 HydrophobicContact CE2-CG 3.99Å; F335-Y364 HydrophobicContact CZ-CD2 4.45Å; F335-Y364 HydrophobicContact CZ-CG 4.37Å; P360-Y364 VanDerWaalsContact O-CB 3.27Å; P360-Y364 WeakPolarHBondContact O-CB 3.5Å; P360-Y364 PolarHBondContact O-N 3.49Å; A361-Y364 PolarHBondContact O-N 2.87Å; I362-Y364 VanDerWaalsContact C-N 3.3Å; I362-Y364 PolarHBondContact O-N 3.46Å; Y364-C366 VanDerWaalsContact C-N 3.32Å; Y364-Y367 HydrophobicContact CD2-CD1 4.33Å; Y364-Y367 HydrophobicContact CE2-CD1 4.17Å; Y364-Y367 HydrophobicContact CE2-CE1 4.47Å; Y364-Y367 WeakPolarHBondContact O-CB 3.08Å; Y364-Y367 PolarHBondContact O-N 3.28Å; Y364-L368 HydrophobicContact CD1-CD1 3.85Å; Y364-L368 HydrophobicContact CD1-CG 4.07Å; Y364-L368 HydrophobicContact CE1-CD1 3.6Å; Y364-L368 HydrophobicContact CE1-CD2 4.04Å; Y364-L368 HydrophobicContact CE1-CG 3.83Å; Y364-L368 WeakPolarHBondContact O-CG 3.39Å; Y364-L368 PolarHBondContact O-N 2.68Å; Y364-M377 HydrophobicContact CD1-CB 3.81Å; Y364-M377 HydrophobicContact CD1-CE 3.72Å; Y364-M377 HydrophobicContact CD1-CG 4.21Å; Y364-M377 HydrophobicContact CE1-CE 3.83Å; Y364-M377 HydrophobicContact CG-CE 4.32Å
365	D	97.5	Very high	96.1	Very high	10 Å²	10	76.2 Å²	76.2	5%	0.053	39%	0.389	C	S	.	.	H	α-helix	trans	-66.5	-34	174.8	-81.3	-16.7	0	0	0	112.3	A361 I362 L368 R369 P375 R376 M377 T378	A361-D365 WeakPolarHBondContact O-CB 3.41Å; A361-D365 PolarHBondContact O-N 3.01Å; I362-D365 PolarHBondContact O-N 3.16Å; D365-L368 PolarHBondContact O-N 3.09Å; D365-R369 WeakPolarHBondContact O-CG 3.35Å; D365-R369 PolarHBondContact O-N 3.09Å; D365-P375 HydrophobicContact CB-CB 3.69Å; D365-P375 WeakPolarHBondContact OD1-CA 3.32Å; D365-R376 PolarHBondContact OD1-N 3.42Å; D365-M377 WeakPolarHBondContact OD1-CB 3.26Å; D365-M377 PolarHBondContact OD1-N 2.85Å; D365-M377 PolarHBondContact OD2-N 3.4Å; D365-T378 WeakPolarHBondContact OD2-CB 3.32Å; D365-T378 PolarHBondContact OD2-N 3.46Å; D365-T378 PolarHBondContact OD2-OG1 3.12Å
366	C	97.8	Very high	96.3	Very high	67 Å²	67	80.8 Å²	80.8	45%	0.453	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-49	170.5	-173.1	0	0	0	0	110.8	I362 I363 Y364 L368 R369 L370	I362-C366 WeakPolarHBondContact O-CB 3.33Å; I362-C366 PolarHBondContact O-N 3.38Å; I363-C366 WeakPolarHBondContact O-CB 3.24Å; I363-C366 PolarHBondContact O-N 2.91Å; Y364-C366 VanDerWaalsContact C-N 3.32Å; C366-L368 VanDerWaalsContact C-N 3.32Å; C366-L368 PolarHBondContact O-N 2.98Å; C366-R369 PolarHBondContact O-N 3.5Å; C366-R369 VanDerWaalsContact O-N 3.16Å; C366-L370 WeakPolarHBondContact O-CG 3.41Å; C366-L370 PolarHBondContact O-N 2.93Å
367	Y	96.8	Very high	96.5	Very high	119 Å²	119	80.5 Å²	80.5	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-57.4	-41.7	173.5	165	-97.5	0	0	0	112.8	I363 Y364 L370 T371	I363-Y367 PolarHBondContact O-N 3.4Å; Y364-Y367 HydrophobicContact CD2-CD1 4.33Å; Y364-Y367 HydrophobicContact CE2-CD1 4.17Å; Y364-Y367 HydrophobicContact CE2-CE1 4.47Å; Y364-Y367 WeakPolarHBondContact O-CB 3.08Å; Y364-Y367 PolarHBondContact O-N 3.28Å; Y367-L370 PolarHBondContact O-N 3.06Å; Y367-T371 HydrophobicContact CD2-CG2 4.18Å; Y367-T371 HydrophobicContact CE1-CG2 4.49Å; Y367-T371 HydrophobicContact CE2-CG2 3.68Å; Y367-T371 WeakPolarHBondContact O-CG2 3.49Å; Y367-T371 PolarHBondContact O-N 2.68Å; Y367-T371 PolarHBondContact O-OG1 3.49Å
368	L	97.4	Very high	96.5	Very high	4 Å²	4	82.5 Å²	82.5	2%	0.021	41%	0.408	C	S	.	.	H	α-helix	trans	-61.8	-45.8	175.9	-71.2	179	0	0	0	111.3	Y364 D365 C366 L370 T371 G372 R373 R376	Y364-L368 HydrophobicContact CD1-CD1 3.85Å; Y364-L368 HydrophobicContact CD1-CG 4.07Å; Y364-L368 HydrophobicContact CE1-CD1 3.6Å; Y364-L368 HydrophobicContact CE1-CD2 4.04Å; Y364-L368 HydrophobicContact CE1-CG 3.83Å; Y364-L368 WeakPolarHBondContact O-CG 3.39Å; Y364-L368 PolarHBondContact O-N 2.68Å; D365-L368 PolarHBondContact O-N 3.09Å; C366-L368 VanDerWaalsContact C-N 3.32Å; C366-L368 PolarHBondContact O-N 2.98Å; L368-L370 PolarHBondContact O-N 3.47Å; L368-T371 WeakPolarHBondContact CA-OG1 3.39Å; L368-T371 CarbonylContact O-C 3.47Å; L368-T371 PolarHBondContact O-N 3.34Å; L368-T371 VanDerWaalsContact O-N 3.12Å; L368-T371 PolarHBondContact O-OG1 3.34Å; L368-T371 VanDerWaalsContact O-OG1 3.05Å; L368-G372 PolarHBondContact O-N 3.35Å; L368-R373 CarbonylContact C-O 3.21Å; L368-R373 HydrophobicContact CB-CB 4.07Å; L368-R373 HydrophobicContact CD2-CB 3.89Å; L368-R373 WeakPolarHBondContact O-CA 3.3Å; L368-R373 WeakPolarHBondContact O-CB 3.29Å; L368-R373 PolarHBondContact O-N 3.13Å; L368-R373 VanDerWaalsContact O-O 3.05Å; L368-R376 HydrophobicContact CD1-CG 3.98Å
369	R	97.4	Very high	96.6	Very high	174 Å²	174	85.4 Å²	85.4	66%	0.657	42%	0.424	S	S	*	.	H	α-helix	trans	-59.5	-46.2	176.8	-72.2	175.4	-177.9	179.8	0.1	111.9	D365 C366 T371 G372 P375	D365-R369 WeakPolarHBondContact O-CG 3.35Å; D365-R369 PolarHBondContact O-N 3.09Å; C366-R369 PolarHBondContact O-N 3.5Å; C366-R369 VanDerWaalsContact O-N 3.16Å; R369-T371 PolarHBondContact O-N 2.99Å; R369-G372 PolarHBondContact O-N 3.39Å; R369-G372 VanDerWaalsContact O-N 3.07Å; R369-P375 HydrophobicContact CG-CB 4.49Å; R369-P375 HydrophobicContact CG-CG 4.39Å
370	L	97	Very high	96.6	Very high	143 Å²	143	87.2 Å²	87.2	75%	0.749	43%	0.428	S	S	*	.	H	α-helix	trans	-62.9	-24.5	177.7	-67.4	173.8	0	0	0	113	C366 Y367 L368	C366-L370 WeakPolarHBondContact O-CG 3.41Å; C366-L370 PolarHBondContact O-N 2.93Å; Y367-L370 PolarHBondContact O-N 3.06Å; L368-L370 PolarHBondContact O-N 3.47Å
371	T	97	Very high	96.6	Very high	60 Å²	60	86 Å²	86	37%	0.368	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	15.2	176.6	54.8	0	0	0	0	113.5	Y367 L368 R369 R373	Y367-T371 HydrophobicContact CD2-CG2 4.18Å; Y367-T371 HydrophobicContact CE1-CG2 4.49Å; Y367-T371 HydrophobicContact CE2-CG2 3.68Å; Y367-T371 WeakPolarHBondContact O-CG2 3.49Å; Y367-T371 PolarHBondContact O-N 2.68Å; Y367-T371 PolarHBondContact O-OG1 3.49Å; L368-T371 WeakPolarHBondContact CA-OG1 3.39Å; L368-T371 CarbonylContact O-C 3.47Å; L368-T371 PolarHBondContact O-N 3.34Å; L368-T371 VanDerWaalsContact O-N 3.12Å; L368-T371 PolarHBondContact O-OG1 3.34Å; L368-T371 VanDerWaalsContact O-OG1 3.05Å; R369-T371 PolarHBondContact O-N 2.99Å; T371-R373 PolarHBondContact O-N 3.48Å
372	G	95.7	Very high	96.6	Very high	77 Å²	77	89.8 Å²	89.8	79%	0.794	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	14.1	178.8	0	0	0	0	0	114.6	L368 R369	L368-G372 PolarHBondContact O-N 3.35Å; R369-G372 PolarHBondContact O-N 3.39Å; R369-G372 VanDerWaalsContact O-N 3.07Å
373	R	96.7	Very high	96.5	Very high	151 Å²	151	94 Å²	94	57%	0.57	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-101.2	146.2	-178.3	-61	178.1	-175.1	-173.6	1.7	111	L368 T371	L368-R373 CarbonylContact C-O 3.21Å; L368-R373 HydrophobicContact CB-CB 4.07Å; L368-R373 HydrophobicContact CD2-CB 3.89Å; L368-R373 WeakPolarHBondContact O-CA 3.3Å; L368-R373 WeakPolarHBondContact O-CB 3.29Å; L368-R373 PolarHBondContact O-N 3.13Å; L368-R373 VanDerWaalsContact O-O 3.05Å; T371-R373 PolarHBondContact O-N 3.48Å
374	K	96.8	Very high	96.4	Very high	189 Å²	189	89.7 Å²	89.7	82%	0.822	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-66.4	131.3	178.4	-66.8	-175.9	178.5	-179	0	111.3
375	P	96.3	Very high	96.3	Very high	59 Å²	59	87.9 Å²	87.9	38%	0.383	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-64.8	140.8	174.7	29.9	-36.2	0	0	0	110.2	D365 R369	D365-P375 HydrophobicContact CB-CB 3.69Å; D365-P375 WeakPolarHBondContact OD1-CA 3.32Å; R369-P375 HydrophobicContact CG-CB 4.49Å; R369-P375 HydrophobicContact CG-CG 4.39Å
376	R	96.2	Very high	96.1	Very high	165 Å²	165	95.9 Å²	95.9	62%	0.623	45%	0.451	S	S	*	.			trans	-148.4	-20.4	-175.3	62.8	178.9	-178	149	1.5	114.4	D365 L368 L380	D365-R376 PolarHBondContact OD1-N 3.42Å; L368-R376 HydrophobicContact CD1-CG 3.98Å; R376-L380 WeakPolarHBondContact O-CB 3.4Å; R376-L380 PolarHBondContact O-N 3.27Å; R376-L380 VanDerWaalsContact O-N 3.09Å
377	M	96.1	Very high	95.8	Very high	7 Å²	7	95.7 Å²	95.7	3%	0.034	45%	0.448	C	S	.	.	H	α-helix	trans	-73.5	-38	-170.7	-168.9	63.6	81.3	0	0	111.8	F261 F335 A361 Y364 D365 K379 L380 M381	F261-M377 HydrophobicContact CD1-SD 4.16Å; F261-M377 HydrophobicContact CE1-CE 3.9Å; F261-M377 HydrophobicContact CE1-SD 3.92Å; F335-M377 HydrophobicContact CD1-CE 4.24Å; F335-M377 HydrophobicContact CD2-CE 3.64Å; F335-M377 HydrophobicContact CE1-CE 4.17Å; F335-M377 HydrophobicContact CE2-CE 3.57Å; F335-M377 HydrophobicContact CG-CE 4Å; F335-M377 HydrophobicContact CZ-CE 3.84Å; A361-M377 HydrophobicContact CB-CB 4.2Å; A361-M377 HydrophobicContact CB-CG 3.65Å; Y364-M377 HydrophobicContact CD1-CB 3.81Å; Y364-M377 HydrophobicContact CD1-CE 3.72Å; Y364-M377 HydrophobicContact CD1-CG 4.21Å; Y364-M377 HydrophobicContact CE1-CE 3.83Å; Y364-M377 HydrophobicContact CG-CE 4.32Å; D365-M377 WeakPolarHBondContact OD1-CB 3.26Å; D365-M377 PolarHBondContact OD1-N 2.85Å; D365-M377 PolarHBondContact OD2-N 3.4Å; M377-K379 PolarHBondContact O-N 3.24Å; M377-L380 PolarHBondContact O-N 3.32Å; M377-L380 HydrophobicContact SD-CD2 4Å; M377-M381 WeakPolarHBondContact O-CB 3.35Å; M377-M381 PolarHBondContact O-N 2.84Å
378	T	96.7	Very high	95.6	Very high	42 Å²	42	90.5 Å²	90.5	26%	0.258	43%	0.429	S	S	.	.	H	α-helix	trans	-63.8	-43.6	177.4	-54.1	0	0	0	0	111	D365 M381 N382	D365-T378 WeakPolarHBondContact OD2-CB 3.32Å; D365-T378 PolarHBondContact OD2-N 3.46Å; D365-T378 PolarHBondContact OD2-OG1 3.12Å; T378-M381 PolarHBondContact O-N 2.68Å; T378-N382 WeakPolarHBondContact O-CB 3.43Å; T378-N382 VanDerWaalsContact O-CG 3.25Å; T378-N382 PolarHBondContact O-N 2.75Å; T378-N382 PolarHBondContact O-ND2 2.59Å
379	K	96.4	Very high	95.4	Very high	177 Å²	177	93.1 Å²	93.1	77%	0.77	45%	0.447	S	S	*	.	H	α-helix	trans	-61.8	-45.5	175.4	-174.9	176.1	-178.9	175.1	0	111.6	M377 R383	M377-K379 PolarHBondContact O-N 3.24Å; K379-R383 PolarHBondContact O-N 2.83Å; K379-R383 VanDerWaalsContact O-N 3.09Å
380	L	95.5	Very high	95.1	Very high	79 Å²	79	87.6 Å²	87.6	41%	0.414	43%	0.429	S	S	.	.	H	α-helix	trans	-59.3	-47.2	175.7	176	63.5	0	0	0	111.3	F261 R376 M377 R383 L384	F261-L380 HydrophobicContact CD1-CD2 4.35Å; F261-L380 HydrophobicContact CD2-CD2 4.49Å; F261-L380 HydrophobicContact CE1-CD2 4.12Å; F261-L380 HydrophobicContact CE2-CD2 4.25Å; F261-L380 HydrophobicContact CZ-CD2 4.07Å; R376-L380 WeakPolarHBondContact O-CB 3.4Å; R376-L380 PolarHBondContact O-N 3.27Å; R376-L380 VanDerWaalsContact O-N 3.09Å; M377-L380 PolarHBondContact O-N 3.32Å; M377-L380 HydrophobicContact SD-CD2 4Å; L380-R383 PolarHBondContact O-N 3.35Å; L380-L384 WeakPolarHBondContact O-CB 3.28Å; L380-L384 PolarHBondContact O-N 2.98Å
381	M	96	Very high	94.9	Very high	1 Å²	1	82 Å²	82	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-67.1	-41.7	-177.3	-164.2	60.4	70.2	0	0	112.1	F261 H357 A361 M377 T378 R383 L384 L385	F261-M381 HydrophobicContact CB-CE 4.47Å; H357-M381 HydrophobicContact CB-CE 4.35Å; H357-M381 HydrophobicContact CB-CG 3.79Å; H357-M381 HydrophobicContact CB-SD 3.62Å; A361-M381 HydrophobicContact CB-CB 4.03Å; A361-M381 HydrophobicContact CB-CG 4.43Å; M377-M381 WeakPolarHBondContact O-CB 3.35Å; M377-M381 PolarHBondContact O-N 2.84Å; T378-M381 PolarHBondContact O-N 2.68Å; M381-R383 VanDerWaalsContact C-N 3.34Å; M381-R383 PolarHBondContact O-N 2.83Å; M381-L384 PolarHBondContact O-N 2.9Å; M381-L384 HydrophobicContact SD-CD2 3.99Å; M381-L385 HydrophobicContact CG-CD1 4.32Å; M381-L385 HydrophobicContact CG-CG 4.47Å; M381-L385 WeakPolarHBondContact O-CG 3.35Å; M381-L385 PolarHBondContact O-N 3.41Å
382	N	95.5	Very high	94.7	Very high	81 Å²	81	81.4 Å²	81.4	43%	0.433	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-40.9	176.1	-72.8	-13.6	0	0	0	111.8	T378 R386	T378-N382 WeakPolarHBondContact O-CB 3.43Å; T378-N382 VanDerWaalsContact O-CG 3.25Å; T378-N382 PolarHBondContact O-N 2.75Å; T378-N382 PolarHBondContact O-ND2 2.59Å; N382-R386 WeakPolarHBondContact O-CB 3.25Å; N382-R386 PolarHBondContact O-N 3.48Å
383	R	94.7	Very high	94.6	Very high	191 Å²	191	79.9 Å²	79.9	72%	0.721	36%	0.364	S	S	*	.	H	α-helix	trans	-62.8	-46.9	174.1	-175.1	179.3	180	178.3	1.6	111.1	K379 L380 M381 R386 T387	K379-R383 PolarHBondContact O-N 2.83Å; K379-R383 VanDerWaalsContact O-N 3.09Å; L380-R383 PolarHBondContact O-N 3.35Å; M381-R383 VanDerWaalsContact C-N 3.34Å; M381-R383 PolarHBondContact O-N 2.83Å; R383-R386 PolarHBondContact O-N 3.14Å; R383-T387 PolarHBondContact O-N 3.15Å; R383-T387 PolarHBondContact O-OG1 2.93Å; R383-T387 VanDerWaalsContact O-OG1 3.12Å
384	L	94.4	Very high	94.5	Very high	28 Å²	28	73.5 Å²	73.5	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-49.5	178.7	175.5	63.2	0	0	0	111.9	A256 F261 L262 L380 M381 R386 T387 V388	A256-L384 HydrophobicContact CB-CD1 3.67Å; A256-L384 HydrophobicContact CB-CD2 4.13Å; F261-L384 HydrophobicContact CB-CD2 3.79Å; L262-L384 HydrophobicContact CB-CD2 4.11Å; L262-L384 HydrophobicContact CD1-CD2 4.45Å; L380-L384 WeakPolarHBondContact O-CB 3.28Å; L380-L384 PolarHBondContact O-N 2.98Å; M381-L384 PolarHBondContact O-N 2.9Å; M381-L384 HydrophobicContact SD-CD2 3.99Å; L384-R386 VanDerWaalsContact C-N 3.31Å; L384-R386 PolarHBondContact O-N 3.47Å; L384-T387 PolarHBondContact O-N 2.89Å; L384-V388 HydrophobicContact CD1-CG2 4.23Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 3.47Å
385	L	94	Very high	94.4	Very high	21 Å²	21	65 Å²	65	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-37.5	179.5	-69.3	177.7	0	0	0	112	N353 H357 R358 M381 V388 S389	N353-L385 WeakPolarHBondContact OD1-CD2 3.5Å; H357-L385 HydrophobicContact CB-CD1 4.23Å; H357-L385 HydrophobicContact CB-CD2 4.39Å; R358-L385 HydrophobicContact CG-CD1 4.29Å; M381-L385 HydrophobicContact CG-CD1 4.32Å; M381-L385 HydrophobicContact CG-CG 4.47Å; M381-L385 WeakPolarHBondContact O-CG 3.35Å; M381-L385 PolarHBondContact O-N 3.41Å; L385-V388 PolarHBondContact O-N 3.04Å; L385-S389 WeakPolarHBondContact O-CB 3.47Å; L385-S389 PolarHBondContact O-N 3.04Å; L385-S389 PolarHBondContact O-OG 3.13Å
386	R	93.4	Very high	94.3	Very high	179 Å²	179	64 Å²	64	68%	0.675	30%	0.295	S	S	*	.	H	α-helix	trans	-64.1	-43.8	172.7	-175.8	-176.1	-64.5	-142.2	-2	111.9	N382 R383 L384 S389 M390	N382-R386 WeakPolarHBondContact O-CB 3.25Å; N382-R386 PolarHBondContact O-N 3.48Å; R383-R386 PolarHBondContact O-N 3.14Å; L384-R386 VanDerWaalsContact C-N 3.31Å; L384-R386 PolarHBondContact O-N 3.47Å; R386-S389 PolarHBondContact O-N 3.48Å; R386-S389 PolarHBondContact O-OG 2.98Å; R386-M390 WeakPolarHBondContact O-CG 3.33Å; R386-M390 PolarHBondContact O-N 3.32Å
387	T	92.6	Very high	94.2	Very high	62 Å²	62	61.3 Å²	61.3	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-44.9	176.2	-59.9	0	0	0	0	111.2	R383 L384 S389 M390 L391	R383-T387 PolarHBondContact O-N 3.15Å; R383-T387 PolarHBondContact O-OG1 2.93Å; R383-T387 VanDerWaalsContact O-OG1 3.12Å; L384-T387 PolarHBondContact O-N 2.89Å; T387-S389 PolarHBondContact O-N 3.46Å; T387-M390 PolarHBondContact O-N 3.16Å; T387-L391 WeakPolarHBondContact O-CG 3.35Å; T387-L391 PolarHBondContact O-N 3.5Å
388	V	92.7	Very high	94.2	Very high	11 Å²	11	63.5 Å²	63.5	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-39.6	177.6	172.5	0	0	0	0	111.7	L262 I265 L384 L385 M390 L391 E392	L262-V388 HydrophobicContact CD1-CG2 3.94Å; L262-V388 HydrophobicContact CD2-CG2 3.93Å; I265-V388 HydrophobicContact CG2-CG1 3.95Å; L384-V388 HydrophobicContact CD1-CG2 4.23Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 3.47Å; L385-V388 PolarHBondContact O-N 3.04Å; V388-M390 VanDerWaalsContact C-N 3.28Å; V388-M390 PolarHBondContact O-N 3Å; V388-L391 WeakPolarHBondContact O-CB 3.4Å; V388-L391 PolarHBondContact O-N 3.35Å; V388-E392 PolarHBondContact O-N 3.22Å
389	S	92.1	Very high	94.2	Very high	59 Å²	59	62.1 Å²	62.1	41%	0.413	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-34.7	178.3	67	0	0	0	0	112.6	L385 R386 T387 L391 E392	L385-S389 WeakPolarHBondContact O-CB 3.47Å; L385-S389 PolarHBondContact O-N 3.04Å; L385-S389 PolarHBondContact O-OG 3.13Å; R386-S389 PolarHBondContact O-N 3.48Å; R386-S389 PolarHBondContact O-OG 2.98Å; T387-S389 PolarHBondContact O-N 3.46Å; S389-L391 PolarHBondContact O-N 3Å; S389-E392 WeakPolarHBondContact O-CB 3.25Å; S389-E392 PolarHBondContact O-N 2.95Å
390	M	91.9	Very high	94.3	Very high	57 Å²	57	59.3 Å²	59.3	28%	0.281	28%	0.28	S	S	.	.	H	α-helix	trans	-67.5	-22.2	174.5	-65.4	-174.1	-68.6	0	0	113.1	F117 D118 R386 T387 V388	F117-M390 HydrophobicContact CB-CB 4.48Å; F117-M390 HydrophobicContact CB-SD 4.03Å; F117-M390 HydrophobicContact CD2-CB 4.13Å; D118-M390 HydrophobicContact CB-CE 4.42Å; D118-M390 HydrophobicContact CB-SD 4.01Å; R386-M390 WeakPolarHBondContact O-CG 3.33Å; R386-M390 PolarHBondContact O-N 3.32Å; T387-M390 PolarHBondContact O-N 3.16Å; V388-M390 VanDerWaalsContact C-N 3.28Å; V388-M390 PolarHBondContact O-N 3Å
391	L	92.9	Very high	94.3	Very high	27 Å²	27	55.5 Å²	55.5	14%	0.141	26%	0.261	C	S	.	.	H	α-helix	trans	-88.3	-12.6	176.9	-57.4	177.8	0	0	0	112.7	F117 I253 T387 V388 S389 Y393 F394 I395	F117-L391 HydrophobicContact CD2-CD2 4.28Å; F117-L391 HydrophobicContact CE2-CD2 3.69Å; I253-L391 HydrophobicContact CD1-CD1 3.69Å; I253-L391 HydrophobicContact CG1-CD1 4.29Å; T387-L391 WeakPolarHBondContact O-CG 3.35Å; T387-L391 PolarHBondContact O-N 3.5Å; V388-L391 WeakPolarHBondContact O-CB 3.4Å; V388-L391 PolarHBondContact O-N 3.35Å; S389-L391 PolarHBondContact O-N 3Å; L391-Y393 PolarHBondContact O-N 3.46Å; L391-Y393 VanDerWaalsContact O-N 3.13Å; L391-F394 PolarHBondContact O-N 3.28Å; L391-I395 HydrophobicContact CB-CD1 3.65Å; L391-I395 HydrophobicContact CB-CG1 4.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.39Å; L391-I395 PolarHBondContact O-N 3.27Å
392	E	92.4	Very high	94.3	Very high	46 Å²	46	55.7 Å²	55.7	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-35.2	-175.7	-79.1	-174.2	-163	0	0	112.2	K266 V388 S389 F394 I395 N396	K266-E392 IonicContact NZ-OE2 3.71Å; K266-E392 PolarHBondContact NZ-OE2 2.79Å; V388-E392 PolarHBondContact O-N 3.22Å; S389-E392 WeakPolarHBondContact O-CB 3.25Å; S389-E392 PolarHBondContact O-N 2.95Å; E392-F394 VanDerWaalsContact C-N 3.26Å; E392-F394 PolarHBondContact O-N 2.98Å; E392-I395 PolarHBondContact O-N 2.9Å; E392-N396 WeakPolarHBondContact O-CB 3.43Å; E392-N396 PolarHBondContact O-N 3.37Å; E392-N396 VanDerWaalsContact O-N 3.13Å; E392-N396 PolarHBondContact O-ND2 3.45Å
393	Y	93.7	Very high	94.3	Very high	46 Å²	46	52.4 Å²	52.4	18%	0.18	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-41.5	178.1	-173.2	-87.6	0	0	0	112.3	C158 P201 L391 R397 W399	C158-Y393 HydrophobicContact CB-CE1 4.26Å; C158-Y393 PolarHBondContact O-OH 3Å; C158-Y393 VanDerWaalsContact O-OH 3.04Å; P201-Y393 HydrophobicContact CB-CD1 3.63Å; P201-Y393 HydrophobicContact CB-CD2 3.5Å; P201-Y393 HydrophobicContact CB-CE1 3.96Å; P201-Y393 HydrophobicContact CB-CE2 3.85Å; P201-Y393 HydrophobicContact CB-CG 3.38Å; P201-Y393 HydrophobicContact CG-CD1 3.57Å; P201-Y393 HydrophobicContact CG-CD2 4.28Å; P201-Y393 HydrophobicContact CG-CE1 3.63Å; P201-Y393 HydrophobicContact CG-CE2 4.33Å; P201-Y393 HydrophobicContact CG-CG 3.9Å; L391-Y393 PolarHBondContact O-N 3.46Å; L391-Y393 VanDerWaalsContact O-N 3.13Å; Y393-R397 VanDerWaalsContact CD2-CZ 3.49Å; Y393-R397 PolarHBondContact O-NH1 3.23Å; Y393-R397 VanDerWaalsContact O-NH1 3.16Å; Y393-W399 HydrophobicContact CD1-CH2 4.32Å; Y393-W399 HydrophobicContact CD1-CZ2 4.19Å; Y393-W399 HydrophobicContact CE1-CH2 4.31Å; Y393-W399 AromaticContact CE1-CZ2 3.72Å; Y393-W399 HydrophobicContact CE1-CZ2 3.72Å
394	F	94.9	Very high	94.4	Very high	16 Å²	16	51.1 Å²	51.1	7%	0.07	24%	0.241	C	C	.	.	H	α-helix	trans	-80.1	-38.2	-177.6	-57.5	-75.3	0	0	0	113.2	F117 Y155 C158 P201 N202 T205 L391 E392 N396 W399	F117-F394 HydrophobicContact CD2-CE2 4.39Å; F117-F394 AromaticContact CE2-CD2 3.97Å; F117-F394 HydrophobicContact CE2-CD2 3.97Å; F117-F394 AromaticContact CE2-CE2 3.49Å; F117-F394 HydrophobicContact CE2-CE2 3.49Å; F117-F394 VanDerWaalsContact CE2-CE2 3.49Å; F117-F394 HydrophobicContact CE2-CZ 4.45Å; F117-F394 HydrophobicContact CZ-CD2 4.36Å; F117-F394 AromaticContact CZ-CE2 3.73Å; F117-F394 HydrophobicContact CZ-CE2 3.73Å; F117-F394 HydrophobicContact CZ-CZ 4.3Å; Y155-F394 AromaticContact CD1-CD1 3.67Å; Y155-F394 HydrophobicContact CD1-CD1 3.67Å; Y155-F394 AromaticContact CD1-CE1 3.7Å; Y155-F394 HydrophobicContact CD1-CE1 3.7Å; Y155-F394 AromaticContact CE1-CD1 3.92Å; Y155-F394 HydrophobicContact CE1-CD1 3.92Å; Y155-F394 HydrophobicContact CE1-CE1 4.41Å; Y155-F394 HydrophobicContact CG-CD1 4.11Å; Y155-F394 AromaticContact CG-CE1 3.82Å; Y155-F394 HydrophobicContact CG-CE1 3.82Å; C158-F394 HydrophobicContact CB-CE1 4.48Å; P201-F394 HydrophobicContact CG-CE1 4.46Å; P201-F394 HydrophobicContact CG-CE2 4.47Å; P201-F394 HydrophobicContact CG-CZ 3.86Å; N202-F394 WeakPolarHBondContact ND2-CE2 3.35Å; N202-F394 WeakPolarHBondContact ND2-CZ 3.35Å; T205-F394 HydrophobicContact CG2-CE1 4.27Å; T205-F394 HydrophobicContact CG2-CZ 3.83Å; L391-F394 PolarHBondContact O-N 3.28Å; E392-F394 VanDerWaalsContact C-N 3.26Å; E392-F394 PolarHBondContact O-N 2.98Å; F394-N396 VanDerWaalsContact C-N 3.3Å; F394-N396 PolarHBondContact O-N 3.46Å; F394-W399 AromaticContact CD1-CH2 3.92Å; F394-W399 HydrophobicContact CD1-CH2 3.92Å; F394-W399 HydrophobicContact CD1-CZ3 4.47Å
395	I	93.4	Very high	94.6	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-76.4	-21.7	-176.9	-55.7	165.2	0	0	0	111.6	I265 A267 W315 L391 E392	I265-I395 HydrophobicContact CG2-CD1 4.31Å; A267-I395 HydrophobicContact CB-CB 4.41Å; A267-I395 HydrophobicContact CB-CG2 3.32Å; W315-I395 HydrophobicContact CD2-CG2 4.21Å; W315-I395 HydrophobicContact CG-CG2 4.12Å; W315-I395 HydrophobicContact CZ2-CG1 4.45Å; W315-I395 PolarHBondContact NE1-O 3.18Å; L391-I395 HydrophobicContact CB-CD1 3.65Å; L391-I395 HydrophobicContact CB-CG1 4.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.39Å; L391-I395 PolarHBondContact O-N 3.27Å; E392-I395 PolarHBondContact O-N 2.9Å
396	N	94.2	Very high	94.7	Very high	39 Å²	39	50.7 Å²	50.7	21%	0.209	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	2.5	-178	-69.9	-78.5	0	0	0	114.5	K266 A267 T268 E392 F394	K266-N396 PolarHBondContact O-ND2 3.32Å; A267-N396 WeakPolarHBondContact CA-OD1 3.45Å; A267-N396 PolarHBondContact N-OD1 3.21Å; T268-N396 PolarHBondContact N-OD1 3.35Å; T268-N396 PolarHBondContact OG1-O 2.91Å; T268-N396 PolarHBondContact OG1-OD1 2.85Å; E392-N396 WeakPolarHBondContact O-CB 3.43Å; E392-N396 PolarHBondContact O-N 3.37Å; E392-N396 VanDerWaalsContact O-N 3.13Å; E392-N396 PolarHBondContact O-ND2 3.45Å; F394-N396 VanDerWaalsContact C-N 3.3Å; F394-N396 PolarHBondContact O-N 3.46Å
397	R	95.2	Very high	94.9	Very high	109 Å²	109	46.2 Å²	46.2	41%	0.411	23%	0.226	S	C	.	.			trans	-130.9	160.9	-175.7	-72.4	-178.7	-179.5	78.8	-2.5	111.6	Y393 W399	Y393-R397 VanDerWaalsContact CD2-CZ 3.49Å; Y393-R397 PolarHBondContact O-NH1 3.23Å; Y393-R397 VanDerWaalsContact O-NH1 3.16Å; R397-W399 HydrophobicContact CB-CE3 4.49Å; R397-W399 HydrophobicContact CB-CH2 3.46Å; R397-W399 VanDerWaalsContact CB-CH2 3.46Å; R397-W399 HydrophobicContact CB-CZ2 3.76Å; R397-W399 HydrophobicContact CB-CZ3 3.87Å; R397-W399 HydrophobicContact CG-CH2 4.49Å
398	S	96.3	Very high	95.1	Very high	53 Å²	53	45.7 Å²	45.7	37%	0.371	22%	0.22	S	C	.	.			trans	-133.1	150.5	170.3	-56.6	0	0	0	0	107.7	A271 V272	A271-S398 WeakPolarHBondContact CA-OG 3.5Å; A271-S398 WeakPolarHBondContact CB-OG 3.4Å; V272-S398 PolarHBondContact N-OG 2.9Å
399	W	97.1	Very high	95.4	Very high	13 Å²	13	45.1 Å²	45.1	5%	0.049	22%	0.217	C	C	.	.			trans	-126.1	156	-177.1	-69.5	-89.4	0	0	0	109.3	Y155 C158 L160 K161 I163 Y393 F394 R397 W401	Y155-W399 HydrophobicContact CD1-CE3 4.42Å; Y155-W399 HydrophobicContact CD1-CH2 4.46Å; Y155-W399 HydrophobicContact CD1-CZ3 4.36Å; Y155-W399 HydrophobicContact CE1-CD2 4.31Å; Y155-W399 AromaticContact CE1-CE3 3.76Å; Y155-W399 HydrophobicContact CE1-CE3 3.76Å; Y155-W399 HydrophobicContact CE1-CH2 4.24Å; Y155-W399 AromaticContact CE1-CZ3 3.72Å; Y155-W399 HydrophobicContact CE1-CZ3 3.72Å; C158-W399 HydrophobicContact CB-CZ2 3.92Å; C158-W399 PolarHBondContact O-NE1 2.85Å; L160-W399 PolarHBondContact O-NE1 2.91Å; L160-W399 VanDerWaalsContact O-NE1 3.15Å; K161-W399 WeakPolarHBondContact O-CA 3.47Å; I163-W399 HydrophobicContact CD1-CG 4.27Å; Y393-W399 HydrophobicContact CD1-CH2 4.32Å; Y393-W399 HydrophobicContact CD1-CZ2 4.19Å; Y393-W399 HydrophobicContact CE1-CH2 4.31Å; Y393-W399 AromaticContact CE1-CZ2 3.72Å; Y393-W399 HydrophobicContact CE1-CZ2 3.72Å; F394-W399 AromaticContact CD1-CH2 3.92Å; F394-W399 HydrophobicContact CD1-CH2 3.92Å; F394-W399 HydrophobicContact CD1-CZ3 4.47Å; R397-W399 HydrophobicContact CB-CE3 4.49Å; R397-W399 HydrophobicContact CB-CH2 3.46Å; R397-W399 VanDerWaalsContact CB-CH2 3.46Å; R397-W399 HydrophobicContact CB-CZ2 3.76Å; R397-W399 HydrophobicContact CB-CZ3 3.87Å; R397-W399 HydrophobicContact CG-CH2 4.49Å; W399-W401 HydrophobicContact CB-CD2 4.13Å; W399-W401 HydrophobicContact CB-CE3 4.45Å; W399-W401 HydrophobicContact CB-CH2 3.68Å; W399-W401 HydrophobicContact CB-CZ2 3.3Å; W399-W401 HydrophobicContact CB-CZ3 4.23Å; W399-W401 HydrophobicContact CD2-CH2 4.21Å; W399-W401 HydrophobicContact CD2-CZ2 4.08Å; W399-W401 HydrophobicContact CE3-CZ2 4.2Å; W399-W401 AromaticContact CG-CH2 3.76Å; W399-W401 HydrophobicContact CG-CH2 3.76Å; W399-W401 AromaticContact CG-CZ2 3.73Å; W399-W401 HydrophobicContact CG-CZ2 3.73Å
400	E	96.9	Very high	95.6	Very high	117 Å²	117	43.4 Å²	43.4	55%	0.547	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.2	170.4	-67.3	173	-170.5	0	0	108.4	K161 H162 I163	K161-E400 PolarHBondContact O-N 3.27Å; H162-E400 WeakPolarHBondContact CA-O 3.47Å; H162-E400 IonicContact ND1-OE2 3.09Å; H162-E400 PolarHBondContact ND1-OE2 3.34Å; I163-E400 PolarHBondContact N-O 2.83Å
401	W	96.1	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.4	-175	-46.1	104.2	0	0	0	111	A154 Y155 I163 D274 T306 N309 W399 T403	A154-W401 HydrophobicContact CB-CD2 4.48Å; A154-W401 HydrophobicContact CB-CE3 4.06Å; A154-W401 HydrophobicContact CB-CH2 3.78Å; A154-W401 HydrophobicContact CB-CZ2 4.19Å; A154-W401 HydrophobicContact CB-CZ3 3.7Å; A154-W401 WeakPolarHBondContact O-CH2 3.31Å; A154-W401 WeakPolarHBondContact O-CZ3 3.36Å; Y155-W401 HydrophobicContact CD1-CH2 4.02Å; Y155-W401 HydrophobicContact CD1-CZ2 4.37Å; Y155-W401 HydrophobicContact CE1-CH2 4.03Å; Y155-W401 AromaticContact CE1-CZ2 3.91Å; Y155-W401 HydrophobicContact CE1-CZ2 3.91Å; I163-W401 HydrophobicContact CB-CE3 3.88Å; I163-W401 HydrophobicContact CB-CZ3 3.92Å; I163-W401 HydrophobicContact CD1-CE3 4.01Å; I163-W401 HydrophobicContact CD1-CH2 3.8Å; I163-W401 HydrophobicContact CD1-CZ3 3.24Å; I163-W401 HydrophobicContact CG1-CZ3 4.13Å; I163-W401 HydrophobicContact CG2-CE3 4.29Å; I163-W401 HydrophobicContact CG2-CZ3 4.17Å; D274-W401 PolarHBondContact OD1-NE1 2.72Å; D274-W401 VanDerWaalsContact OD1-NE1 3.15Å; T306-W401 HydrophobicContact CG2-CB 4.29Å; T306-W401 HydrophobicContact CG2-CD2 3.92Å; T306-W401 HydrophobicContact CG2-CG 3.8Å; T306-W401 WeakPolarHBondContact OG1-CB 3.36Å; N309-W401 PolarHBondContact ND2-N 2.98Å; N309-W401 PolarHBondContact ND2-O 2.81Å; N309-W401 PolarHBondContact OD1-N 3.01Å; W399-W401 HydrophobicContact CB-CD2 4.13Å; W399-W401 HydrophobicContact CB-CE3 4.45Å; W399-W401 HydrophobicContact CB-CH2 3.68Å; W399-W401 HydrophobicContact CB-CZ2 3.3Å; W399-W401 HydrophobicContact CB-CZ3 4.23Å; W399-W401 HydrophobicContact CD2-CH2 4.21Å; W399-W401 HydrophobicContact CD2-CZ2 4.08Å; W399-W401 HydrophobicContact CE3-CZ2 4.2Å; W399-W401 AromaticContact CG-CH2 3.76Å; W399-W401 HydrophobicContact CG-CH2 3.76Å; W399-W401 AromaticContact CG-CZ2 3.73Å; W399-W401 HydrophobicContact CG-CZ2 3.73Å; W401-T403 PolarHBondContact O-N 2.84Å
402	S	96.2	Very high	96	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.035	23%	0.233	C	C	.	.			trans	-64.8	137.4	167.5	-57.8	0	0	0	0	109.4	H162 I163 D164 E165 H304	H162-S402 PolarHBondContact NE2-OG 3.12Å; H162-S402 VanDerWaalsContact NE2-OG 3.17Å; I163-S402 PolarHBondContact O-N 3.45Å; D164-S402 WeakPolarHBondContact OD1-CB 3.41Å; D164-S402 PolarHBondContact OD1-OG 2.63Å; E165-S402 WeakPolarHBondContact CG-O 3.29Å; H304-S402 PolarHBondContact ND1-O 2.9Å
403	T	96.1	Very high	96.3	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.067	23%	0.225	C	C	.	.			trans	-127.3	18.1	-175.8	48	0	0	0	0	113.1	E165 H304 W401 N405 T406 E407	E165-T403 VanDerWaalsContact OE2-C 3.28Å; H304-T403 HydrophobicContact CB-CG2 4.23Å; W401-T403 PolarHBondContact O-N 2.84Å; T403-N405 PolarHBondContact O-N 3.28Å; T403-T406 WeakPolarHBondContact O-CB 3.49Å; T403-T406 PolarHBondContact O-N 3.2Å; T403-T406 VanDerWaalsContact O-N 3.07Å; T403-E407 WeakPolarHBondContact O-CG 3.44Å; T403-E407 PolarHBondContact O-N 3.4Å; T403-E407 PolarHBondContact OG1-OE2 2.93Å
404	Y	96.5	Very high	96.5	Very high	165 Å²	165	46.3 Å²	46.3	65%	0.647	23%	0.23	S	C	*	.	H	α-helix	trans	-54.1	-47.3	-172.7	-58.9	-64.1	0	0	0	114.2	E165 T406 E407 M408	E165-Y404 PolarHBondContact OE2-N 3.05Å; Y404-T406 VanDerWaalsContact C-N 3.33Å; Y404-E407 PolarHBondContact O-N 3.09Å; Y404-M408 WeakPolarHBondContact O-CB 3.44Å; Y404-M408 PolarHBondContact O-N 2.91Å
405	N	97.9	Very high	96.6	Very high	35 Å²	35	50.8 Å²	50.8	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-35.3	178.9	-66.9	-29.8	0	0	0	111.4	E165 V302 Y303 T403 L409	E165-N405 WeakPolarHBondContact OE2-CB 3.48Å; E165-N405 PolarHBondContact OE2-N 3.22Å; V302-N405 WeakPolarHBondContact O-CB 3.4Å; V302-N405 PolarHBondContact O-ND2 3.1Å; Y303-N405 HydrophobicContact CD1-CB 3.77Å; Y303-N405 HydrophobicContact CE1-CB 3.79Å; Y303-N405 WeakPolarHBondContact CE1-O 3.44Å; Y303-N405 HydrophobicContact CG-CB 4.46Å; T403-N405 PolarHBondContact O-N 3.28Å; N405-L409 VanDerWaalsContact O-CB 3.31Å; N405-L409 WeakPolarHBondContact O-CB 3.37Å; N405-L409 PolarHBondContact O-N 3.44Å
406	T	97.3	Very high	96.8	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-70.2	-41	177.5	-56.8	0	0	0	0	111.4	E165 L284 H304 T403 Y404 M410 F423	E165-T406 PolarHBondContact OE1-OG1 3Å; L284-T406 HydrophobicContact CD1-CG2 4.13Å; L284-T406 HydrophobicContact CD2-CG2 4.35Å; H304-T406 PolarHBondContact N-OG1 3.3Å; H304-T406 PolarHBondContact O-OG1 3.42Å; T403-T406 WeakPolarHBondContact O-CB 3.49Å; T403-T406 PolarHBondContact O-N 3.2Å; T403-T406 VanDerWaalsContact O-N 3.07Å; Y404-T406 VanDerWaalsContact C-N 3.33Å; T406-M410 PolarHBondContact O-N 2.98Å; T406-M410 VanDerWaalsContact O-N 3.08Å; T406-F423 HydrophobicContact CG2-CD2 4.09Å; T406-F423 HydrophobicContact CG2-CE2 3.96Å
407	E	96.6	Very high	97	Very high	85 Å²	85	51.8 Å²	51.8	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-69	-41.6	174.6	-70.4	177.2	102.4	0	0	112	T403 Y404 M410 S411	T403-E407 WeakPolarHBondContact O-CG 3.44Å; T403-E407 PolarHBondContact O-N 3.4Å; T403-E407 PolarHBondContact OG1-OE2 2.93Å; Y404-E407 PolarHBondContact O-N 3.09Å; E407-M410 PolarHBondContact O-N 2.97Å; E407-S411 PolarHBondContact O-N 3.47Å; E407-S411 VanDerWaalsContact O-N 3.07Å
408	M	97.3	Very high	97.1	Very high	51 Å²	51	50 Å²	50	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-49.9	172.2	176.6	-80.5	-66.9	0	0	110.6	Y291 Y404 M410 S411 E412	Y291-M408 HydrophobicContact CE1-CE 4.12Å; Y291-M408 HydrophobicContact CE2-SD 4.23Å; Y404-M408 WeakPolarHBondContact O-CB 3.44Å; Y404-M408 PolarHBondContact O-N 2.91Å; M408-M410 VanDerWaalsContact C-N 3.3Å; M408-M410 PolarHBondContact O-N 3.35Å; M408-S411 WeakPolarHBondContact O-CA 3.41Å; M408-S411 WeakPolarHBondContact O-CB 3.1Å; M408-S411 PolarHBondContact O-N 3.24Å; M408-S411 PolarHBondContact O-OG 3.13Å; M408-E412 PolarHBondContact O-N 3.07Å; M408-E412 VanDerWaalsContact O-N 3.14Å; M408-E412 HydrophobicContact SD-CG 3.88Å
409	L	98.3	Very high	97.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-43	179.2	177.5	59.7	0	0	0	111.6	L284 A287 V288 Y291 Y303 N405 S411 E412 L413 F423	L284-L409 HydrophobicContact CD1-CD2 3.7Å; A287-L409 HydrophobicContact CB-CD2 3.95Å; A287-L409 HydrophobicContact CB-CG 4.37Å; V288-L409 HydrophobicContact CB-CD2 4.37Å; V288-L409 HydrophobicContact CG2-CD2 3.47Å; V288-L409 VanDerWaalsContact CG2-CD2 3.47Å; Y291-L409 HydrophobicContact CD2-CD1 3.67Å; Y291-L409 HydrophobicContact CG-CD1 3.7Å; Y303-L409 HydrophobicContact CD1-CD2 4.29Å; Y303-L409 HydrophobicContact CE1-CB 4.07Å; Y303-L409 HydrophobicContact CE1-CD2 3.97Å; N405-L409 VanDerWaalsContact O-CB 3.31Å; N405-L409 WeakPolarHBondContact O-CB 3.37Å; N405-L409 PolarHBondContact O-N 3.44Å; L409-S411 VanDerWaalsContact C-N 3.25Å; L409-S411 PolarHBondContact O-N 2.76Å; L409-E412 PolarHBondContact O-N 3.32Å; L409-L413 HydrophobicContact CD1-CD2 4.37Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 3.24Å; L409-F423 HydrophobicContact CD2-CZ 4.28Å; L409-F423 HydrophobicContact CG-CZ 4.12Å
410	M	96.9	Very high	97.1	Very high	22 Å²	22	55.7 Å²	55.7	11%	0.108	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-38.8	175.4	-177.6	63.5	76.8	0	0	111.8	T406 E407 M408 E412 L413 Q418 F423 D424	T406-M410 PolarHBondContact O-N 2.98Å; T406-M410 VanDerWaalsContact O-N 3.08Å; E407-M410 PolarHBondContact O-N 2.97Å; M408-M410 VanDerWaalsContact C-N 3.3Å; M408-M410 PolarHBondContact O-N 3.35Å; M410-E412 VanDerWaalsContact C-N 3.33Å; M410-E412 PolarHBondContact O-N 3.49Å; M410-L413 PolarHBondContact O-N 3.27Å; M410-Q418 PolarHBondContact O-NE2 3.25Å; M410-Q418 HydrophobicContact SD-CB 4.36Å; M410-Q418 HydrophobicContact SD-CG 3.8Å; M410-F423 HydrophobicContact CB-CE2 3.87Å; M410-F423 HydrophobicContact CB-CZ 4.02Å; M410-F423 HydrophobicContact CE-CD1 4.15Å; M410-F423 HydrophobicContact CE-CD2 3.47Å; M410-F423 VanDerWaalsContact CE-CD2 3.47Å; M410-F423 HydrophobicContact CE-CE1 4.09Å; M410-F423 HydrophobicContact CE-CE2 3.42Å; M410-F423 VanDerWaalsContact CE-CE2 3.42Å; M410-F423 HydrophobicContact CE-CG 3.83Å; M410-F423 HydrophobicContact CE-CZ 3.74Å; M410-F423 HydrophobicContact SD-CE2 4.36Å; M410-F423 HydrophobicContact SD-CZ 4.24Å; M410-D424 HydrophobicContact CE-CB 3.81Å
411	S	97	Very high	97.2	Very high	87 Å²	87	50.1 Å²	50.1	61%	0.608	25%	0.25	S	S	*	.	H	α-helix	trans	-70.1	-25.5	179.2	74.6	0	0	0	0	114.4	E407 M408 L409 L413	E407-S411 PolarHBondContact O-N 3.47Å; E407-S411 VanDerWaalsContact O-N 3.07Å; M408-S411 WeakPolarHBondContact O-CA 3.41Å; M408-S411 WeakPolarHBondContact O-CB 3.1Å; M408-S411 PolarHBondContact O-N 3.24Å; M408-S411 PolarHBondContact O-OG 3.13Å; L409-S411 VanDerWaalsContact C-N 3.25Å; L409-S411 PolarHBondContact O-N 2.76Å; S411-L413 VanDerWaalsContact C-N 3.33Å
412	E	96.6	Very high	97.3	Very high	101 Å²	101	51 Å²	51	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-81	-11.6	176.5	-67.8	-67	151.8	0	0	113.2	Y291 M408 L409 M410	Y291-E412 HydrophobicContact CE2-CB 4.45Å; Y291-E412 HydrophobicContact CE2-CG 4.16Å; M408-E412 PolarHBondContact O-N 3.07Å; M408-E412 VanDerWaalsContact O-N 3.14Å; M408-E412 HydrophobicContact SD-CG 3.88Å; L409-E412 PolarHBondContact O-N 3.32Å; M410-E412 VanDerWaalsContact C-N 3.33Å; M410-E412 PolarHBondContact O-N 3.49Å
413	L	97.8	Very high	97.3	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	25%	0.254	C	S	.	.	S	Bend	trans	-81	139.8	-179.1	-62.3	-167.7	0	0	0	112.2	I4 A287 W290 L409 M410 S411 D417 Q418 F423	I4-L413 HydrophobicContact CD1-CD1 4.25Å; I4-L413 HydrophobicContact CD1-CD2 3.8Å; A287-L413 HydrophobicContact CB-CD1 4.29Å; W290-L413 HydrophobicContact CE3-CD2 4.11Å; W290-L413 HydrophobicContact CH2-CD2 4.43Å; W290-L413 HydrophobicContact CZ3-CD2 3.64Å; L409-L413 HydrophobicContact CD1-CD2 4.37Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 3.24Å; M410-L413 PolarHBondContact O-N 3.27Å; S411-L413 VanDerWaalsContact C-N 3.33Å; L413-D417 HydrophobicContact CB-CB 4.08Å; L413-D417 HydrophobicContact CD1-CB 4.49Å; L413-D417 HydrophobicContact CD2-CB 4.47Å; L413-Q418 HydrophobicContact CB-CG 3.6Å; L413-Q418 HydrophobicContact CD1-CG 4.49Å; L413-Q418 PolarHBondContact O-NE2 3.35Å; L413-F423 HydrophobicContact CD1-CE1 3.76Å; L413-F423 HydrophobicContact CD1-CZ 4.12Å
414	S	97.6	Very high	97.4	Very high	41 Å²	41	51.4 Å²	51.4	29%	0.287	26%	0.256	S	S	.	.			trans	-62	155.5	168.4	77.2	0	0	0	0	111.1	E416 D417 Q418	S414-E416 PolarHBondContact O-N 3.38Å; S414-E416 VanDerWaalsContact O-N 3.12Å; S414-D417 PolarHBondContact O-N 2.95Å; S414-D417 WeakPolarHBondContact OG-CB 3.37Å; S414-D417 VanDerWaalsContact OG-CG 3.31Å; S414-D417 PolarHBondContact OG-N 3.22Å; S414-D417 VanDerWaalsContact OG-N 3.12Å; S414-D417 PolarHBondContact OG-OD2 3.32Å; S414-Q418 WeakPolarHBondContact O-CG 3.2Å; S414-Q418 PolarHBondContact O-N 3.19Å
415	P	97.4	Very high	97.3	Very high	110 Å²	110	43.5 Å²	43.5	71%	0.714	23%	0.225	S	C	*	.	H	α-helix	trans	-55.1	-33.5	176.8	-28	35.5	0	0	0	113.8	R419	P415-R419 WeakPolarHBondContact O-CB 3.38Å; P415-R419 PolarHBondContact O-N 3.05Å; P415-R419 VanDerWaalsContact O-N 3.1Å
416	E	97.9	Very high	97.2	Very high	68 Å²	68	48.1 Å²	48.1	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-72.5	-39.3	176.1	179.4	59.5	-174	0	0	111.9	S414 R419 V420	S414-E416 PolarHBondContact O-N 3.38Å; S414-E416 VanDerWaalsContact O-N 3.12Å; E416-R419 PolarHBondContact O-N 2.67Å; E416-R419 IonicContact OE1-CZ 3.65Å; E416-R419 IonicContact OE1-NE 3.79Å; E416-R419 IonicContact OE1-NH2 3.88Å; E416-R419 PolarHBondContact OE1-NH2 3.48Å; E416-R419 IonicContact OE2-CZ 3.5Å; E416-R419 IonicContact OE2-NE 2.87Å; E416-R419 PolarHBondContact OE2-NE 3.43Å; E416-R419 IonicContact OE2-NH2 2.81Å; E416-R419 PolarHBondContact OE2-NH2 3.28Å; E416-V420 HydrophobicContact CG-CG2 4.49Å; E416-V420 VanDerWaalsContact O-CG2 3.32Å; E416-V420 WeakPolarHBondContact O-CG2 3.37Å; E416-V420 PolarHBondContact O-N 2.91Å; E416-V420 WeakPolarHBondContact OE1-CG2 3.17Å
417	D	98.4	Very high	97.2	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.011	26%	0.264	C	S	.	.	H	α-helix	trans	-66.8	-40	174.1	-72.1	-52.4	0	0	0	111.6	S2 T3 I4 L413 S414 R419 V420 F421	S2-D417 WeakPolarHBondContact CA-OD1 3.18Å; S2-D417 VanDerWaalsContact CB-OD1 3.25Å; S2-D417 WeakPolarHBondContact CB-OD1 3.33Å; S2-D417 PolarHBondContact OG-OD1 3.5Å; T3-D417 WeakPolarHBondContact CB-OD2 3.15Å; T3-D417 PolarHBondContact N-OD1 2.91Å; T3-D417 PolarHBondContact N-OD2 2.97Å; T3-D417 PolarHBondContact OG1-OD2 2.94Å; I4-D417 HydrophobicContact CD1-CB 4.05Å; I4-D417 HydrophobicContact CG1-CB 4.48Å; I4-D417 PolarHBondContact N-OD1 3.16Å; I4-D417 VanDerWaalsContact N-OD1 3.11Å; L413-D417 HydrophobicContact CB-CB 4.08Å; L413-D417 HydrophobicContact CD1-CB 4.49Å; L413-D417 HydrophobicContact CD2-CB 4.47Å; S414-D417 PolarHBondContact O-N 2.95Å; S414-D417 WeakPolarHBondContact OG-CB 3.37Å; S414-D417 VanDerWaalsContact OG-CG 3.31Å; S414-D417 PolarHBondContact OG-N 3.22Å; S414-D417 VanDerWaalsContact OG-N 3.12Å; S414-D417 PolarHBondContact OG-OD2 3.32Å; D417-R419 VanDerWaalsContact C-N 3.26Å; D417-R419 PolarHBondContact O-N 3.44Å; D417-V420 PolarHBondContact O-N 3.12Å; D417-F421 WeakPolarHBondContact O-CA 3.39Å; D417-F421 WeakPolarHBondContact O-CB 3.49Å; D417-F421 PolarHBondContact O-N 3.2Å
418	Q	97.5	Very high	97.2	Very high	73 Å²	73	49.6 Å²	49.6	34%	0.341	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-35.9	173.2	-68.2	-176.6	3.1	0	0	112	M410 L413 S414 N422	M410-Q418 PolarHBondContact O-NE2 3.25Å; M410-Q418 HydrophobicContact SD-CB 4.36Å; M410-Q418 HydrophobicContact SD-CG 3.8Å; L413-Q418 HydrophobicContact CB-CG 3.6Å; L413-Q418 HydrophobicContact CD1-CG 4.49Å; L413-Q418 PolarHBondContact O-NE2 3.35Å; S414-Q418 WeakPolarHBondContact O-CG 3.2Å; S414-Q418 PolarHBondContact O-N 3.19Å; Q418-N422 WeakPolarHBondContact O-CA 3.07Å; Q418-N422 VanDerWaalsContact O-CB 3.22Å; Q418-N422 WeakPolarHBondContact O-CB 3.46Å; Q418-N422 PolarHBondContact O-N 3.38Å
419	R	96.9	Very high	97.2	Very high	163 Å²	163	51.2 Å²	51.2	62%	0.615	26%	0.256	S	S	*	.	H	α-helix	trans	-72.3	-45.5	177	-170.1	-170.2	69.3	75.4	-0	112.1	P415 E416 D417	P415-R419 WeakPolarHBondContact O-CB 3.38Å; P415-R419 PolarHBondContact O-N 3.05Å; P415-R419 VanDerWaalsContact O-N 3.1Å; E416-R419 PolarHBondContact O-N 2.67Å; E416-R419 IonicContact OE1-CZ 3.65Å; E416-R419 IonicContact OE1-NE 3.79Å; E416-R419 IonicContact OE1-NH2 3.88Å; E416-R419 PolarHBondContact OE1-NH2 3.48Å; E416-R419 IonicContact OE2-CZ 3.5Å; E416-R419 IonicContact OE2-NE 2.87Å; E416-R419 PolarHBondContact OE2-NE 3.43Å; E416-R419 IonicContact OE2-NH2 2.81Å; E416-R419 PolarHBondContact OE2-NH2 3.28Å; D417-R419 VanDerWaalsContact C-N 3.26Å; D417-R419 PolarHBondContact O-N 3.44Å
420	V	97.3	Very high	97.2	Very high	22 Å²	22	51.7 Å²	51.7	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-78.4	-37.2	-175.6	177	0	0	0	0	111.8	K29 T33 E416 D417	K29-V420 PolarHBondContact NZ-O 2.72Å; T33-V420 HydrophobicContact CG2-CG1 4.01Å; E416-V420 HydrophobicContact CG-CG2 4.49Å; E416-V420 VanDerWaalsContact O-CG2 3.32Å; E416-V420 WeakPolarHBondContact O-CG2 3.37Å; E416-V420 PolarHBondContact O-N 2.91Å; E416-V420 WeakPolarHBondContact OE1-CG2 3.17Å; D417-V420 PolarHBondContact O-N 3.12Å
421	F	98	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	47.9	-178.7	-60.2	-82.2	0	0	0	110.6	S2 I4 A5 K29 T33 N283 L286 D417 F423	S2-F421 VanDerWaalsContact OG-CE2 3.28Å; S2-F421 WeakPolarHBondContact OG-CE2 3.49Å; I4-F421 HydrophobicContact CB-CD2 3.77Å; I4-F421 HydrophobicContact CB-CE2 3.55Å; I4-F421 HydrophobicContact CB-CG 4.5Å; I4-F421 HydrophobicContact CB-CZ 4.11Å; I4-F421 HydrophobicContact CD1-CB 4.21Å; I4-F421 HydrophobicContact CD1-CD2 3.8Å; I4-F421 HydrophobicContact CD1-CE2 4.48Å; I4-F421 HydrophobicContact CD1-CG 4.08Å; I4-F421 HydrophobicContact CG1-CD2 4.36Å; I4-F421 HydrophobicContact CG2-CD1 4.27Å; I4-F421 HydrophobicContact CG2-CD2 3.9Å; I4-F421 HydrophobicContact CG2-CE1 4.01Å; I4-F421 HydrophobicContact CG2-CE2 3.61Å; I4-F421 HydrophobicContact CG2-CG 4.22Å; I4-F421 HydrophobicContact CG2-CZ 3.66Å; A5-F421 HydrophobicContact CB-CE2 4.21Å; A5-F421 HydrophobicContact CB-CZ 4.23Å; K29-F421 HydrophobicContact CG-CE1 4.49Å; T33-F421 HydrophobicContact CG2-CE1 4.34Å; T33-F421 HydrophobicContact CG2-CZ 4.17Å; N283-F421 HydrophobicContact CB-CB 4.27Å; L286-F421 HydrophobicContact CB-CD1 3.98Å; L286-F421 HydrophobicContact CB-CE1 3.98Å; L286-F421 HydrophobicContact CD1-CD1 4.06Å; L286-F421 HydrophobicContact CD1-CE1 3.57Å; L286-F421 HydrophobicContact CG-CE1 4.42Å; D417-F421 WeakPolarHBondContact O-CA 3.39Å; D417-F421 WeakPolarHBondContact O-CB 3.49Å; D417-F421 PolarHBondContact O-N 3.2Å; F421-F423 WeakPolarHBondContact O-CD1 3.46Å; F421-F423 PolarHBondContact O-N 3.19Å
422	N	97.5	Very high	97.2	Very high	18 Å²	18	55.5 Å²	55.5	10%	0.096	27%	0.268	C	S	.	.			trans	-65.3	120.4	-179.6	-171.7	8.8	0	0	0	111.7	N283 Q418 D424 Q427	N283-N422 WeakPolarHBondContact CB-O 3.38Å; N283-N422 PolarHBondContact ND2-N 3.34Å; N283-N422 PolarHBondContact ND2-O 3.3Å; Q418-N422 WeakPolarHBondContact O-CA 3.07Å; Q418-N422 VanDerWaalsContact O-CB 3.22Å; Q418-N422 WeakPolarHBondContact O-CB 3.46Å; Q418-N422 PolarHBondContact O-N 3.38Å; N422-D424 WeakPolarHBondContact OD1-CB 3.48Å; N422-D424 PolarHBondContact OD1-N 2.88Å; N422-Q427 PolarHBondContact ND2-OE1 3.32Å; N422-Q427 VanDerWaalsContact ND2-OE1 3.13Å
423	F	97.4	Very high	97.2	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.013	25%	0.246	C	C	.	.			trans	-122.3	16.5	169.3	53.8	-97.1	0	0	0	112.7	T280 N283 L284 A287 I305 T406 L409 M410 L413 F421 V425	T280-F423 WeakPolarHBondContact O-CB 3.42Å; N283-F423 HydrophobicContact CB-CB 4.39Å; L284-F423 HydrophobicContact CB-CB 4.08Å; L284-F423 HydrophobicContact CB-CD1 4.1Å; L284-F423 HydrophobicContact CB-CD2 4.48Å; L284-F423 HydrophobicContact CB-CG 3.98Å; L284-F423 HydrophobicContact CD1-CD1 4.15Å; L284-F423 HydrophobicContact CD1-CD2 3.89Å; L284-F423 HydrophobicContact CD1-CE1 4.05Å; L284-F423 HydrophobicContact CD1-CE2 3.76Å; L284-F423 HydrophobicContact CD1-CG 4.1Å; L284-F423 HydrophobicContact CD1-CZ 3.87Å; A287-F423 HydrophobicContact CB-CD1 4.48Å; A287-F423 HydrophobicContact CB-CE1 3.74Å; I305-F423 HydrophobicContact CD1-CB 4.2Å; T406-F423 HydrophobicContact CG2-CD2 4.09Å; T406-F423 HydrophobicContact CG2-CE2 3.96Å; L409-F423 HydrophobicContact CD2-CZ 4.28Å; L409-F423 HydrophobicContact CG-CZ 4.12Å; M410-F423 HydrophobicContact CB-CE2 3.87Å; M410-F423 HydrophobicContact CB-CZ 4.02Å; M410-F423 HydrophobicContact CE-CD1 4.15Å; M410-F423 HydrophobicContact CE-CD2 3.47Å; M410-F423 VanDerWaalsContact CE-CD2 3.47Å; M410-F423 HydrophobicContact CE-CE1 4.09Å; M410-F423 HydrophobicContact CE-CE2 3.42Å; M410-F423 VanDerWaalsContact CE-CE2 3.42Å; M410-F423 HydrophobicContact CE-CG 3.83Å; M410-F423 HydrophobicContact CE-CZ 3.74Å; M410-F423 HydrophobicContact SD-CE2 4.36Å; M410-F423 HydrophobicContact SD-CZ 4.24Å; L413-F423 HydrophobicContact CD1-CE1 3.76Å; L413-F423 HydrophobicContact CD1-CZ 4.12Å; F421-F423 WeakPolarHBondContact O-CD1 3.46Å; F421-F423 PolarHBondContact O-N 3.19Å; F423-V425 PolarHBondContact O-N 3.05Å
424	D	96.6	Very high	97.2	Very high	21 Å²	21	50.9 Å²	50.9	11%	0.112	25%	0.246	C	C	.	.			trans	-80.7	99.8	174	-173.7	-3.6	0	0	0	111.4	M410 N422 R426	M410-D424 HydrophobicContact CE-CB 3.81Å; N422-D424 WeakPolarHBondContact OD1-CB 3.48Å; N422-D424 PolarHBondContact OD1-N 2.88Å; D424-R426 VanDerWaalsContact C-N 3.27Å; D424-R426 VanDerWaalsContact CG-NH2 3.32Å; D424-R426 PolarHBondContact O-N 3.42Å; D424-R426 WeakPolarHBondContact OD1-CB 3.48Å; D424-R426 WeakPolarHBondContact OD1-CG 3.44Å; D424-R426 IonicContact OD1-CZ 2.73Å; D424-R426 PolarHBondContact OD1-N 2.84Å; D424-R426 IonicContact OD1-NE 3.45Å; D424-R426 PolarHBondContact OD1-NE 3.45Å; D424-R426 IonicContact OD1-NH2 2.59Å; D424-R426 IonicContact OD2-CZ 3.4Å; D424-R426 IonicContact OD2-NE 3.8Å; D424-R426 PolarHBondContact OD2-NE 2.91Å; D424-R426 IonicContact OD2-NH2 2.84Å; D424-R426 PolarHBondContact OD2-NH2 3.33Å
425	V	96	Very high	97.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-78.6	-3.7	-179.3	-59.8	0	0	0	0	114.6	I276 T280 M310 N311 F423 Q427 L428	I276-V425 HydrophobicContact CD1-CG1 3.49Å; I276-V425 VanDerWaalsContact CD1-CG1 3.49Å; T280-V425 HydrophobicContact CG2-CG1 4.16Å; M310-V425 HydrophobicContact CB-CG2 3.87Å; M310-V425 HydrophobicContact CE-CG2 3.71Å; M310-V425 HydrophobicContact SD-CG2 4.3Å; N311-V425 WeakPolarHBondContact CB-O 3.33Å; N311-V425 PolarHBondContact ND2-O 3.28Å; F423-V425 PolarHBondContact O-N 3.05Å; V425-Q427 PolarHBondContact O-N 2.87Å; V425-L428 WeakPolarHBondContact O-CB 3.38Å; V425-L428 PolarHBondContact O-N 3.27Å; V425-L428 VanDerWaalsContact O-N 3.09Å
426	R	96.3	Very high	97.2	Very high	132 Å²	132	48 Å²	48	50%	0.498	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-62.2	-26.8	173	-65.3	170.7	-68.6	-158.9	3.1	112	M310 D424 L428	M310-R426 HydrophobicContact CB-CG 4.09Å; M310-R426 WeakPolarHBondContact O-CG 3.44Å; D424-R426 VanDerWaalsContact C-N 3.27Å; D424-R426 VanDerWaalsContact CG-NH2 3.32Å; D424-R426 PolarHBondContact O-N 3.42Å; D424-R426 WeakPolarHBondContact OD1-CB 3.48Å; D424-R426 WeakPolarHBondContact OD1-CG 3.44Å; D424-R426 IonicContact OD1-CZ 2.73Å; D424-R426 PolarHBondContact OD1-N 2.84Å; D424-R426 IonicContact OD1-NE 3.45Å; D424-R426 PolarHBondContact OD1-NE 3.45Å; D424-R426 IonicContact OD1-NH2 2.59Å; D424-R426 IonicContact OD2-CZ 3.4Å; D424-R426 IonicContact OD2-NE 3.8Å; D424-R426 PolarHBondContact OD2-NE 2.91Å; D424-R426 IonicContact OD2-NH2 2.84Å; D424-R426 PolarHBondContact OD2-NH2 3.33Å; R426-L428 VanDerWaalsContact C-N 3.28Å; R426-L428 PolarHBondContact O-N 2.94Å
427	Q	95.5	Very high	97.2	Very high	114 Å²	114	44.9 Å²	44.9	53%	0.533	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-77.5	-11.1	178.1	-62	172.9	26.8	0	0	113.2	W236 N422 V425 N429	W236-Q427 HydrophobicContact CH2-CB 3.75Å; W236-Q427 HydrophobicContact CZ2-CB 4.46Å; N422-Q427 PolarHBondContact ND2-OE1 3.32Å; N422-Q427 VanDerWaalsContact ND2-OE1 3.13Å; V425-Q427 PolarHBondContact O-N 2.87Å; Q427-N429 PolarHBondContact O-N 2.84Å
428	L	97.1	Very high	97.2	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	21%	0.205	C	C	.	.			trans	-71.3	118.3	-176.9	-179.1	71.5	0	0	0	111.8	W236 P277 N311 V425 R426 W430 Y433	W236-L428 HydrophobicContact CB-CD1 4.17Å; W236-L428 HydrophobicContact CD2-CD1 3.39Å; W236-L428 VanDerWaalsContact CE2-CD1 3.41Å; W236-L428 HydrophobicContact CE3-CD1 4.1Å; W236-L428 HydrophobicContact CG-CD1 3.38Å; W236-L428 HydrophobicContact CH2-CB 4.44Å; W236-L428 HydrophobicContact CZ2-CB 4.29Å; W236-L428 HydrophobicContact CZ2-CD1 4.15Å; P277-L428 HydrophobicContact CG-CD1 4.34Å; P277-L428 HydrophobicContact CG-CD2 4.2Å; N311-L428 PolarHBondContact ND2-O 2.94Å; V425-L428 WeakPolarHBondContact O-CB 3.38Å; V425-L428 PolarHBondContact O-N 3.27Å; V425-L428 VanDerWaalsContact O-N 3.09Å; R426-L428 VanDerWaalsContact C-N 3.28Å; R426-L428 PolarHBondContact O-N 2.94Å; L428-W430 HydrophobicContact CD2-CD2 4.15Å; L428-W430 HydrophobicContact CD2-CE3 4.01Å; L428-W430 HydrophobicContact CD2-CH2 3.95Å; L428-W430 HydrophobicContact CD2-CZ2 4.08Å; L428-W430 HydrophobicContact CD2-CZ3 3.89Å; L428-W430 PolarHBondContact O-N 3.47Å; L428-Y433 HydrophobicContact CD1-CD2 4.03Å; L428-Y433 HydrophobicContact CD1-CG 3.85Å; L428-Y433 HydrophobicContact CD2-CD1 4.4Å; L428-Y433 HydrophobicContact CD2-CG 4.49Å
429	N	97.8	Very high	97.1	Very high	84 Å²	84	43.7 Å²	43.7	45%	0.449	20%	0.201	S	C	.	.			trans	-81	108.1	165.3	-172.1	-55.5	0	0	0	110.5	Q427 L431 E432 Y433	Q427-N429 PolarHBondContact O-N 2.84Å; N429-L431 VanDerWaalsContact C-N 3.3Å; N429-L431 PolarHBondContact O-N 3.37Å; N429-L431 WeakPolarHBondContact OD1-CB 3.48Å; N429-L431 PolarHBondContact OD1-N 3.09Å; N429-E432 HydrophobicContact CB-CB 4.2Å; N429-E432 PolarHBondContact O-N 3.16Å; N429-E432 PolarHBondContact OD1-N 2.89Å; N429-Y433 WeakPolarHBondContact O-CB 3.36Å; N429-Y433 PolarHBondContact O-N 2.95Å
430	W	97.5	Very high	97.1	Very high	11 Å²	11	36 Å²	36	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-35.6	-179.1	-76	110.1	0	0	0	114.8	V275 N311 C313 M318 L428 Y433 I434	V275-W430 HydrophobicContact CB-CH2 4.38Å; V275-W430 HydrophobicContact CB-CZ3 4.37Å; V275-W430 WeakPolarHBondContact O-CH2 3.4Å; N311-W430 VanDerWaalsContact O-CZ2 3.25Å; N311-W430 WeakPolarHBondContact O-CZ2 3.33Å; N311-W430 PolarHBondContact O-NE1 3.34Å; N311-W430 PolarHBondContact OD1-NE1 2.95Å; N311-W430 VanDerWaalsContact OD1-NE1 3.13Å; C313-W430 HydrophobicContact CB-CD2 3.58Å; C313-W430 VanDerWaalsContact CB-CE2 3.43Å; C313-W430 HydrophobicContact CB-CE3 4.26Å; C313-W430 HydrophobicContact CB-CG 3.72Å; C313-W430 HydrophobicContact CB-CZ2 3.95Å; M318-W430 HydrophobicContact CE-CD2 4.3Å; M318-W430 HydrophobicContact CE-CE3 3.64Å; M318-W430 HydrophobicContact CE-CH2 3.65Å; M318-W430 HydrophobicContact CE-CZ2 4.31Å; M318-W430 HydrophobicContact CE-CZ3 3.29Å; L428-W430 HydrophobicContact CD2-CD2 4.15Å; L428-W430 HydrophobicContact CD2-CE3 4.01Å; L428-W430 HydrophobicContact CD2-CH2 3.95Å; L428-W430 HydrophobicContact CD2-CZ2 4.08Å; L428-W430 HydrophobicContact CD2-CZ3 3.89Å; L428-W430 PolarHBondContact O-N 3.47Å; W430-Y433 AromaticContact CE3-CD1 3.99Å; W430-Y433 HydrophobicContact CE3-CD1 3.99Å; W430-Y433 AromaticContact CZ3-CD1 3.98Å; W430-Y433 HydrophobicContact CZ3-CD1 3.98Å; W430-Y433 HydrophobicContact CZ3-CE1 4.13Å; W430-I434 WeakPolarHBondContact O-CB 3.45Å; W430-I434 WeakPolarHBondContact O-CG1 3.3Å; W430-I434 PolarHBondContact O-N 3.09Å
431	L	96.3	Very high	97.1	Very high	76 Å²	76	34.9 Å²	34.9	40%	0.398	17%	0.166	S	C	.	.	H	α-helix	trans	-70.6	-45.1	-176.2	-60.8	-179.8	0	0	0	111	Q321 N429 E435	Q321-L431 HydrophobicContact CB-CD2 4.08Å; Q321-L431 HydrophobicContact CG-CB 4.48Å; Q321-L431 HydrophobicContact CG-CD2 3.96Å; Q321-L431 PolarHBondContact NE2-O 2.92Å; N429-L431 VanDerWaalsContact C-N 3.3Å; N429-L431 PolarHBondContact O-N 3.37Å; N429-L431 WeakPolarHBondContact OD1-CB 3.48Å; N429-L431 PolarHBondContact OD1-N 3.09Å; L431-E435 PolarHBondContact O-N 3.39Å; L431-E435 VanDerWaalsContact O-N 3.09Å
432	E	97.1	Very high	97.1	Very high	112 Å²	112	34.9 Å²	34.9	52%	0.523	17%	0.166	S	C	.	.	H	α-helix	trans	-66.1	-45.6	176.3	-176.7	-179.8	179.3	0	0	111.4	N429 I434 E435 N436	N429-E432 HydrophobicContact CB-CB 4.2Å; N429-E432 PolarHBondContact O-N 3.16Å; N429-E432 PolarHBondContact OD1-N 2.89Å; E432-I434 VanDerWaalsContact C-N 3.35Å; E432-I434 PolarHBondContact O-N 3.18Å; E432-E435 PolarHBondContact O-N 3.43Å; E432-N436 WeakPolarHBondContact O-CB 3.42Å; E432-N436 PolarHBondContact O-N 2.92Å; E432-N436 PolarHBondContact O-ND2 3.35Å
433	Y	98.1	Very high	97	Very high	2 Å²	2	38 Å²	38	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-47.1	177.4	174.4	-112	0	0	0	111.6	A234 W236 V275 P277 L428 N429 W430 E435 N436 Y437	A234-Y433 PolarHBondContact N-OH 2.8Å; A234-Y433 PolarHBondContact O-OH 3.32Å; A234-Y433 VanDerWaalsContact O-OH 3.1Å; W236-Y433 HydrophobicContact CB-CD2 4.03Å; W236-Y433 HydrophobicContact CB-CE2 4.12Å; W236-Y433 HydrophobicContact CG-CD2 4.35Å; V275-Y433 HydrophobicContact CG1-CE1 4.22Å; P277-Y433 HydrophobicContact CB-CE2 4.12Å; P277-Y433 HydrophobicContact CG-CD2 4.48Å; P277-Y433 HydrophobicContact CG-CE2 3.88Å; L428-Y433 HydrophobicContact CD1-CD2 4.03Å; L428-Y433 HydrophobicContact CD1-CG 3.85Å; L428-Y433 HydrophobicContact CD2-CD1 4.4Å; L428-Y433 HydrophobicContact CD2-CG 4.49Å; N429-Y433 WeakPolarHBondContact O-CB 3.36Å; N429-Y433 PolarHBondContact O-N 2.95Å; W430-Y433 AromaticContact CE3-CD1 3.99Å; W430-Y433 HydrophobicContact CE3-CD1 3.99Å; W430-Y433 AromaticContact CZ3-CD1 3.98Å; W430-Y433 HydrophobicContact CZ3-CD1 3.98Å; W430-Y433 HydrophobicContact CZ3-CE1 4.13Å; Y433-E435 PolarHBondContact O-N 2.79Å; Y433-N436 PolarHBondContact O-N 3.5Å; Y433-Y437 AromaticContact CE1-CD1 3.81Å; Y433-Y437 HydrophobicContact CE1-CD1 3.81Å; Y433-Y437 HydrophobicContact CE1-CE1 4.36Å; Y433-Y437 HydrophobicContact CE2-CD1 4.4Å; Y433-Y437 AromaticContact CZ-CD1 3.69Å; Y433-Y437 VanDerWaalsContact O-CB 3.25Å; Y433-Y437 WeakPolarHBondContact O-CB 3.33Å; Y433-Y437 PolarHBondContact O-N 3.05Å
434	I	97.5	Very high	96.8	Very high	10 Å²	10	40 Å²	40	5%	0.051	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-37.1	179.1	-66.5	-66.1	0	0	0	112	M318 Q321 V322 W430 E432 Y437 V438	M318-I434 HydrophobicContact CG-CD1 4.33Å; M318-I434 HydrophobicContact SD-CD1 4.26Å; Q321-I434 HydrophobicContact CB-CB 4.42Å; Q321-I434 HydrophobicContact CB-CG2 3.96Å; Q321-I434 HydrophobicContact CG-CB 3.8Å; Q321-I434 HydrophobicContact CG-CG2 3.62Å; V322-I434 HydrophobicContact CB-CG2 4.45Å; V322-I434 HydrophobicContact CG2-CG2 3.52Å; W430-I434 WeakPolarHBondContact O-CB 3.45Å; W430-I434 WeakPolarHBondContact O-CG1 3.3Å; W430-I434 PolarHBondContact O-N 3.09Å; E432-I434 VanDerWaalsContact C-N 3.35Å; E432-I434 PolarHBondContact O-N 3.18Å; I434-Y437 WeakPolarHBondContact O-CB 3.44Å; I434-Y437 PolarHBondContact O-N 3.32Å; I434-V438 WeakPolarHBondContact O-CG2 3.38Å; I434-V438 PolarHBondContact O-N 2.81Å
435	E	97.3	Very high	96.7	Very high	52 Å²	52	40.6 Å²	40.6	24%	0.243	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-48.2	175.5	-178	157.3	-175	0	0	110.9	T325 K328 L431 E432 Y433 Y437 V438 L439	T325-E435 HydrophobicContact CG2-CB 4.47Å; T325-E435 HydrophobicContact CG2-CG 4.04Å; K328-E435 WeakPolarHBondContact CD-OE1 3.5Å; K328-E435 IonicContact NZ-OE1 2.9Å; K328-E435 PolarHBondContact NZ-OE1 2.96Å; K328-E435 VanDerWaalsContact NZ-OE1 3.11Å; K328-E435 IonicContact NZ-OE2 3.17Å; K328-E435 PolarHBondContact NZ-OE2 3.07Å; L431-E435 PolarHBondContact O-N 3.39Å; L431-E435 VanDerWaalsContact O-N 3.09Å; E432-E435 PolarHBondContact O-N 3.43Å; Y433-E435 PolarHBondContact O-N 2.79Å; E435-Y437 VanDerWaalsContact C-N 3.32Å; E435-Y437 PolarHBondContact O-N 2.8Å; E435-V438 PolarHBondContact O-N 3.5Å; E435-L439 WeakPolarHBondContact O-CB 3.39Å; E435-L439 PolarHBondContact O-N 3.34Å
436	N	97.9	Very high	96.7	Very high	38 Å²	38	42.7 Å²	42.7	20%	0.203	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-35.9	175.1	-75.4	-35	0	0	0	112.6	P241 G242 E432 Y433 G440	P241-N436 HydrophobicContact CB-CB 4.05Å; G242-N436 WeakPolarHBondContact CA-O 3.48Å; E432-N436 WeakPolarHBondContact O-CB 3.42Å; E432-N436 PolarHBondContact O-N 2.92Å; E432-N436 PolarHBondContact O-ND2 3.35Å; Y433-N436 PolarHBondContact O-N 3.5Å; N436-G440 PolarHBondContact O-N 3.34Å
437	Y	97.8	Very high	96.7	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-54.4	175.5	-160.5	140.4	0	0	0	110.3	G233 A234 V244 N251 I254 Y433 I434 E435 L439 G440 V441	G233-Y437 WeakPolarHBondContact CA-OH 3.16Å; A234-Y437 HydrophobicContact CB-CD1 3.73Å; A234-Y437 HydrophobicContact CB-CD2 3.9Å; A234-Y437 HydrophobicContact CB-CE1 3.86Å; A234-Y437 HydrophobicContact CB-CE2 3.98Å; A234-Y437 HydrophobicContact CB-CG 3.74Å; V244-Y437 HydrophobicContact CG1-CE2 4.15Å; N251-Y437 WeakPolarHBondContact OD1-CE2 3.41Å; N251-Y437 VanDerWaalsContact OD1-CZ 3.26Å; N251-Y437 PolarHBondContact OD1-OH 2.8Å; I254-Y437 HydrophobicContact CD1-CD2 3.65Å; I254-Y437 HydrophobicContact CD1-CE2 3.69Å; I254-Y437 HydrophobicContact CD1-CG 4.31Å; Y433-Y437 AromaticContact CE1-CD1 3.81Å; Y433-Y437 HydrophobicContact CE1-CD1 3.81Å; Y433-Y437 HydrophobicContact CE1-CE1 4.36Å; Y433-Y437 HydrophobicContact CE2-CD1 4.4Å; Y433-Y437 AromaticContact CZ-CD1 3.69Å; Y433-Y437 VanDerWaalsContact O-CB 3.25Å; Y433-Y437 WeakPolarHBondContact O-CB 3.33Å; Y433-Y437 PolarHBondContact O-N 3.05Å; I434-Y437 WeakPolarHBondContact O-CB 3.44Å; I434-Y437 PolarHBondContact O-N 3.32Å; E435-Y437 VanDerWaalsContact C-N 3.32Å; E435-Y437 PolarHBondContact O-N 2.8Å; Y437-L439 VanDerWaalsContact C-N 3.3Å; Y437-L439 PolarHBondContact O-N 3.38Å; Y437-G440 WeakPolarHBondContact O-CA 3.43Å; Y437-G440 PolarHBondContact O-N 2.83Å; Y437-G440 VanDerWaalsContact O-N 3.09Å; Y437-V441 HydrophobicContact CD2-CG2 3.8Å; Y437-V441 HydrophobicContact CE2-CG2 3.84Å; Y437-V441 WeakPolarHBondContact O-CG2 3.43Å; Y437-V441 PolarHBondContact O-N 3.26Å
438	V	97.6	Very high	96.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-40.4	-179	172.8	0	0	0	0	111.2	I254 V322 T325 F326 F331 I434 E435 G440 V441 K442	I254-V438 HydrophobicContact CG2-CG2 4.15Å; V322-V438 HydrophobicContact CB-CG2 4.47Å; V322-V438 HydrophobicContact CG1-CG2 4.24Å; V322-V438 HydrophobicContact CG2-CG2 4.13Å; T325-V438 HydrophobicContact CG2-CB 3.72Å; T325-V438 HydrophobicContact CG2-CG1 3.7Å; T325-V438 HydrophobicContact CG2-CG2 4.37Å; F326-V438 HydrophobicContact CD1-CG1 3.84Å; F326-V438 HydrophobicContact CE1-CG1 3.53Å; F326-V438 HydrophobicContact CZ-CG1 4.38Å; F331-V438 HydrophobicContact CE1-CG1 4.16Å; F331-V438 HydrophobicContact CZ-CG1 4.29Å; I434-V438 WeakPolarHBondContact O-CG2 3.38Å; I434-V438 PolarHBondContact O-N 2.81Å; E435-V438 PolarHBondContact O-N 3.5Å; V438-G440 VanDerWaalsContact C-N 3.33Å; V438-V441 PolarHBondContact O-N 3.44Å; V438-K442 PolarHBondContact O-N 2.97Å; V438-K442 VanDerWaalsContact O-N 3.08Å
439	L	96.6	Very high	96.5	Very high	49 Å²	49	45 Å²	45	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-58	-46.6	172.7	174.2	64.2	0	0	0	111.5	I329 E435 Y437 K442 K443 M450	I329-L439 HydrophobicContact CD1-CD1 4.28Å; I329-L439 HydrophobicContact CG2-CD1 4.46Å; E435-L439 WeakPolarHBondContact O-CB 3.39Å; E435-L439 PolarHBondContact O-N 3.34Å; Y437-L439 VanDerWaalsContact C-N 3.3Å; Y437-L439 PolarHBondContact O-N 3.38Å; L439-K442 WeakPolarHBondContact O-CB 3.48Å; L439-K442 PolarHBondContact O-N 3.2Å; L439-K443 WeakPolarHBondContact O-CB 3.4Å; L439-K443 PolarHBondContact O-N 3.46Å; L439-M450 HydrophobicContact CD1-CE 3.13Å; L439-M450 HydrophobicContact CD1-SD 3.52Å; L439-M450 VanDerWaalsContact CD1-SD 3.52Å
440	G	96.5	Very high	96.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-44	176.4	0	0	0	0	0	113.8	G242 N436 Y437 V438 K442 K443 Y444	G242-G440 WeakPolarHBondContact O-CA 3.48Å; N436-G440 PolarHBondContact O-N 3.34Å; Y437-G440 WeakPolarHBondContact O-CA 3.43Å; Y437-G440 PolarHBondContact O-N 2.83Å; Y437-G440 VanDerWaalsContact O-N 3.09Å; V438-G440 VanDerWaalsContact C-N 3.33Å; G440-K442 VanDerWaalsContact C-N 3.32Å; G440-K442 PolarHBondContact O-N 3.48Å; G440-K443 PolarHBondContact O-N 2.93Å; G440-Y444 WeakPolarHBondContact O-CB 3.38Å; G440-Y444 WeakPolarHBondContact O-CD2 3.21Å; G440-Y444 PolarHBondContact O-N 3.38Å
441	V	97.4	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-59.5	-42.9	174	169.4	0	0	0	0	111.1	V244 I254 I255 F331 Y437 V438 L445 L446	V244-V441 HydrophobicContact CG2-CG2 4.08Å; I254-V441 HydrophobicContact CD1-CG2 4.39Å; I254-V441 HydrophobicContact CG2-CB 4.27Å; I254-V441 HydrophobicContact CG2-CG1 4.03Å; I254-V441 HydrophobicContact CG2-CG2 4.21Å; I255-V441 HydrophobicContact CD1-CG1 4.07Å; I255-V441 HydrophobicContact CG1-CG1 3.5Å; I255-V441 VanDerWaalsContact CG1-CG1 3.5Å; F331-V441 HydrophobicContact CE2-CG1 4.3Å; F331-V441 HydrophobicContact CZ-CB 4.3Å; F331-V441 HydrophobicContact CZ-CG1 3.7Å; Y437-V441 HydrophobicContact CD2-CG2 3.8Å; Y437-V441 HydrophobicContact CE2-CG2 3.84Å; Y437-V441 WeakPolarHBondContact O-CG2 3.43Å; Y437-V441 PolarHBondContact O-N 3.26Å; V438-V441 PolarHBondContact O-N 3.44Å; V441-L445 HydrophobicContact CB-CD1 4.5Å; V441-L445 HydrophobicContact CG1-CD1 4.26Å; V441-L445 HydrophobicContact CG2-CD1 4.16Å; V441-L445 WeakPolarHBondContact O-CB 3.45Å; V441-L445 PolarHBondContact O-N 2.81Å; V441-L446 PolarHBondContact O-N 2.89Å
442	K	97.2	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-59.4	-50.1	175.3	-175.2	177.2	167.5	70.5	0	111.4	I329 P330 F331 V438 L439 G440 L446 K447 E448 D449 M450	I329-K442 HydrophobicContact CG2-CD 3.62Å; P330-K442 PolarHBondContact O-NZ 2.91Å; F331-K442 HydrophobicContact CD1-CB 3.95Å; F331-K442 HydrophobicContact CD1-CD 4.41Å; F331-K442 HydrophobicContact CD1-CG 4.1Å; F331-K442 HydrophobicContact CE1-CB 3.7Å; F331-K442 HydrophobicContact CE1-CG 4.36Å; V438-K442 PolarHBondContact O-N 2.97Å; V438-K442 VanDerWaalsContact O-N 3.08Å; L439-K442 WeakPolarHBondContact O-CB 3.48Å; L439-K442 PolarHBondContact O-N 3.2Å; G440-K442 VanDerWaalsContact C-N 3.32Å; G440-K442 PolarHBondContact O-N 3.48Å; K442-L446 CarbonylContact O-C 3.58Å; K442-L446 WeakPolarHBondContact O-CB 3.3Å; K442-K447 PolarHBondContact O-N 3.32Å; K442-E448 HydrophobicContact CG-CB 3.79Å; K442-E448 IonicContact NZ-OE2 3.09Å; K442-E448 PolarHBondContact NZ-OE2 2.91Å; K442-E448 PolarHBondContact O-N 3.45Å; K442-D449 WeakPolarHBondContact CE-O 3.41Å; K442-M450 HydrophobicContact CD-SD 3.97Å
443	K	95	Very high	95.9	Very high	84 Å²	84	40.3 Å²	40.3	37%	0.365	21%	0.209	S	C	.	.	I	π-helix	trans	-77.2	-46.7	-169.8	-174.2	174.9	177.9	179.4	0	113.2	L439 G440 K447	L439-K443 WeakPolarHBondContact O-CB 3.4Å; L439-K443 PolarHBondContact O-N 3.46Å; G440-K443 PolarHBondContact O-N 2.93Å; K443-K447 WeakPolarHBondContact O-CA 3.39Å
444	Y	94.3	Very high	95.8	Very high	43 Å²	43	44.5 Å²	44.5	17%	0.169	24%	0.237	C	C	.	.	I	π-helix	trans	-97	-37.9	-168.9	-54.2	-54.6	0	0	0	112.9	K63 F240 W243 V244 G440	K63-Y444 HydrophobicContact CD-CE1 3.75Å; F240-Y444 HydrophobicContact CD2-CE2 4.41Å; F240-Y444 HydrophobicContact CE2-CE1 4.23Å; F240-Y444 AromaticContact CE2-CE2 3.9Å; F240-Y444 HydrophobicContact CE2-CE2 3.9Å; F240-Y444 AromaticContact CE2-CZ 3.55Å; F240-Y444 VanDerWaalsContact CE2-OH 3.31Å; F240-Y444 WeakPolarHBondContact CE2-OH 3.32Å; W243-Y444 HydrophobicContact CB-CE2 4.48Å; V244-Y444 WeakPolarHBondContact O-CB 3.31Å; G440-Y444 WeakPolarHBondContact O-CB 3.38Å; G440-Y444 WeakPolarHBondContact O-CD2 3.21Å; G440-Y444 PolarHBondContact O-N 3.38Å
445	L	94.2	Very high	95.8	Very high	34 Å²	34	52 Å²	52	18%	0.178	27%	0.269	C	S	.	.	I	π-helix	trans	-87.8	-52.4	178.5	-61.4	-178.8	0	0	0	112.6	V244 D245 N246 N251 I255 V441 K447	V244-L445 HydrophobicContact CB-CD1 4.27Å; V244-L445 HydrophobicContact CB-CD2 4.47Å; V244-L445 HydrophobicContact CB-CG 4.36Å; V244-L445 HydrophobicContact CG2-CD1 3.77Å; V244-L445 HydrophobicContact CG2-CD2 4.34Å; V244-L445 HydrophobicContact CG2-CG 3.75Å; V244-L445 WeakPolarHBondContact O-CD2 3.45Å; D245-L445 VanDerWaalsContact CA-CD2 3.47Å; N246-L445 VanDerWaalsContact N-CD2 3.27Å; N246-L445 WeakPolarHBondContact O-CD1 3.39Å; N251-L445 HydrophobicContact CB-CD1 3.8Å; I255-L445 HydrophobicContact CD1-CB 4.35Å; I255-L445 HydrophobicContact CD1-CD1 4.15Å; V441-L445 HydrophobicContact CB-CD1 4.5Å; V441-L445 HydrophobicContact CG1-CD1 4.26Å; V441-L445 HydrophobicContact CG2-CD1 4.16Å; V441-L445 WeakPolarHBondContact O-CB 3.45Å; V441-L445 PolarHBondContact O-N 2.81Å; L445-K447 VanDerWaalsContact C-N 3.28Å
446	L	96	Very high	95.7	Very high	45 Å²	45	49.8 Å²	49.8	24%	0.236	26%	0.26	C	S	.	.	S	Bend	trans	-79.8	-14.4	-179.2	-61.4	179.1	0	0	0	112.5	I255 F331 V441 K442 E448	I255-L446 HydrophobicContact CD1-CD2 4.04Å; I255-L446 HydrophobicContact CD1-CG 4.49Å; I255-L446 HydrophobicContact CG1-CD1 4.47Å; I255-L446 HydrophobicContact CG1-CD2 4.09Å; I255-L446 HydrophobicContact CG1-CG 4.32Å; I255-L446 HydrophobicContact CG2-CD2 4.05Å; F331-L446 HydrophobicContact CB-CD1 4.23Å; F331-L446 HydrophobicContact CD1-CD1 3.89Å; F331-L446 HydrophobicContact CD2-CD1 3.54Å; F331-L446 HydrophobicContact CE1-CD1 4.09Å; F331-L446 HydrophobicContact CE2-CD1 3.76Å; F331-L446 HydrophobicContact CG-CD1 3.61Å; F331-L446 HydrophobicContact CZ-CD1 4Å; V441-L446 PolarHBondContact O-N 2.89Å; K442-L446 CarbonylContact O-C 3.58Å; K442-L446 WeakPolarHBondContact O-CB 3.3Å; L446-E448 HydrophobicContact CB-CG 3.83Å; L446-E448 PolarHBondContact O-N 2.75Å
447	K	95.3	Very high	95.6	Very high	178 Å²	178	52.1 Å²	52.1	77%	0.774	27%	0.268	S	S	*	.			trans	50.9	37.3	-177.4	-58.2	-174.8	178.8	-172.2	0	112.2	K442 K443 L445	K442-K447 PolarHBondContact O-N 3.32Å; K443-K447 WeakPolarHBondContact O-CA 3.39Å; L445-K447 VanDerWaalsContact C-N 3.28Å
448	E	95.7	Very high	95.5	Very high	19 Å²	19	56.6 Å²	56.6	9%	0.089	29%	0.289	C	S	.	.			trans	-89	140.2	179	-68.7	177.2	179.7	0	0	110.4	K259 F331 E332 K442 L446	K259-E448 IonicContact NZ-OE1 2.98Å; K259-E448 PolarHBondContact NZ-OE1 3.18Å; F331-E448 VanDerWaalsContact CA-OE2 3.31Å; F331-E448 WeakPolarHBondContact CA-OE2 3.4Å; E332-E448 HydrophobicContact CB-CG 4.17Å; E332-E448 WeakPolarHBondContact CB-OE1 3.27Å; E332-E448 HydrophobicContact CG-CB 4.3Å; E332-E448 HydrophobicContact CG-CG 4.1Å; E332-E448 PolarHBondContact N-OE1 3.15Å; E332-E448 VanDerWaalsContact N-OE1 3.11Å; E332-E448 PolarHBondContact N-OE2 3.48Å; K442-E448 HydrophobicContact CG-CB 3.79Å; K442-E448 IonicContact NZ-OE2 3.09Å; K442-E448 PolarHBondContact NZ-OE2 2.91Å; K442-E448 PolarHBondContact O-N 3.45Å; L446-E448 HydrophobicContact CB-CG 3.83Å; L446-E448 PolarHBondContact O-N 2.75Å
449	D	92.9	Very high	95.4	Very high	103 Å²	103	61.4 Å²	61.4	55%	0.551	31%	0.307	S	S	*	.			trans	-72.2	139.5	178.1	-168	-9.7	0	0	0	110.4	K442 A451 G452	K442-D449 WeakPolarHBondContact CE-O 3.41Å; D449-A451 VanDerWaalsContact C-N 3.26Å; D449-A451 PolarHBondContact OD1-N 3.38Å; D449-G452 PolarHBondContact O-N 3.11Å
450	M	93.3	Very high	95.3	Very high	66 Å²	66	60 Å²	60	33%	0.325	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-67.3	-30.2	172.2	-64.7	-55.9	-66	0	0	111.4	I329 L439 K442 G452 I453	I329-M450 HydrophobicContact CG2-CE 4.32Å; L439-M450 HydrophobicContact CD1-CE 3.13Å; L439-M450 HydrophobicContact CD1-SD 3.52Å; L439-M450 VanDerWaalsContact CD1-SD 3.52Å; K442-M450 HydrophobicContact CD-SD 3.97Å; M450-G452 PolarHBondContact O-N 3.35Å; M450-I453 HydrophobicContact CE-CD1 3.44Å; M450-I453 VanDerWaalsContact CE-CD1 3.44Å; M450-I453 WeakPolarHBondContact O-CB 3.44Å; M450-I453 WeakPolarHBondContact O-CD1 3.45Å; M450-I453 VanDerWaalsContact O-CG1 3.24Å; M450-I453 WeakPolarHBondContact O-CG1 3.41Å; M450-I453 PolarHBondContact O-N 3.46Å; M450-I453 HydrophobicContact SD-CD1 4.27Å
451	A	94.8	Very high	95.3	Very high	77 Å²	77	66.1 Å²	66.1	64%	0.636	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-63	-20.5	172.5	0	0	0	0	0	112.7	D449 I453 P454	D449-A451 VanDerWaalsContact C-N 3.26Å; D449-A451 PolarHBondContact OD1-N 3.38Å; A451-I453 VanDerWaalsContact C-N 3.27Å; A451-I453 PolarHBondContact O-N 3.29Å; A451-P454 VanDerWaalsContact O-CD 3.29Å; A451-P454 WeakPolarHBondContact O-CD 3.48Å
452	G	93.9	Very high	95.2	Very high	15 Å²	15	73.1 Å²	73.1	16%	0.155	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-74.1	-8.8	177.8	0	0	0	0	0	115.1	D449 M450 K455 A456	D449-G452 PolarHBondContact O-N 3.11Å; M450-G452 PolarHBondContact O-N 3.35Å; G452-K455 PolarHBondContact O-N 3.23Å; G452-A456 PolarHBondContact O-N 3.39Å
453	I	95.1	Very high	95.1	Very high	26 Å²	26	74.8 Å²	74.8	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-56.8	-46.7	-174.5	-73.2	169.7	0	0	0	113.7	I329 M450 A451 K455 A456 K457	I329-I453 HydrophobicContact CG1-CD1 4.36Å; I329-I453 HydrophobicContact CG2-CD1 3.93Å; I329-I453 HydrophobicContact CG2-CG1 4.41Å; M450-I453 HydrophobicContact CE-CD1 3.44Å; M450-I453 VanDerWaalsContact CE-CD1 3.44Å; M450-I453 WeakPolarHBondContact O-CB 3.44Å; M450-I453 WeakPolarHBondContact O-CD1 3.45Å; M450-I453 VanDerWaalsContact O-CG1 3.24Å; M450-I453 WeakPolarHBondContact O-CG1 3.41Å; M450-I453 PolarHBondContact O-N 3.46Å; M450-I453 HydrophobicContact SD-CD1 4.27Å; A451-I453 VanDerWaalsContact C-N 3.27Å; A451-I453 PolarHBondContact O-N 3.29Å; I453-K455 VanDerWaalsContact C-N 3.3Å; I453-K455 PolarHBondContact O-N 2.92Å; I453-A456 PolarHBondContact O-N 3.01Å; I453-A456 VanDerWaalsContact O-N 3.16Å; I453-K457 HydrophobicContact CG2-CD 4.19Å; I453-K457 HydrophobicContact CG2-CG 4.34Å; I453-K457 WeakPolarHBondContact O-CG 3.44Å; I453-K457 PolarHBondContact O-N 3.01Å
454	P	96	Very high	95	Very high	90 Å²	90	75.3 Å²	75.3	58%	0.584	36%	0.361	S	S	*	.	H	α-helix	trans	-58.8	-41.6	179.8	-25.8	36.2	0	0	0	112.6	A451 K457 Q458	A451-P454 VanDerWaalsContact O-CD 3.29Å; A451-P454 WeakPolarHBondContact O-CD 3.48Å; P454-K457 PolarHBondContact O-N 3.04Å; P454-Q458 PolarHBondContact O-N 3.34Å
455	K	96.1	Very high	95.1	Very high	168 Å²	168	77.7 Å²	77.7	73%	0.73	38%	0.377	S	S	*	.	H	α-helix	trans	-66.2	-40.9	176.9	-172.5	176.3	-176.6	173.2	0	111.6	G452 I453 Q458 R459	G452-K455 PolarHBondContact O-N 3.23Å; I453-K455 VanDerWaalsContact C-N 3.3Å; I453-K455 PolarHBondContact O-N 2.92Å; K455-Q458 PolarHBondContact O-N 3.32Å; K455-R459 PolarHBondContact O-N 3.06Å
456	A	96.1	Very high	95	Very high	5 Å²	5	81.2 Å²	81.2	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-63.8	-41.6	175.1	0	0	0	0	0	111.9	P330 G452 I453 Q458 R459 L460	P330-A456 HydrophobicContact CB-CB 4.1Å; P330-A456 HydrophobicContact CG-CB 3.7Å; G452-A456 PolarHBondContact O-N 3.39Å; I453-A456 PolarHBondContact O-N 3.01Å; I453-A456 VanDerWaalsContact O-N 3.16Å; A456-Q458 PolarHBondContact O-N 2.9Å; A456-R459 WeakPolarHBondContact O-CB 3.19Å; A456-R459 PolarHBondContact O-N 3.41Å; A456-L460 PolarHBondContact O-N 3.42Å
457	K	96.2	Very high	94.7	Very high	87 Å²	87	83.2 Å²	83.2	38%	0.378	40%	0.403	S	S	.	.	H	α-helix	trans	-60.1	-44.4	172.6	-74.7	-176.4	176.6	177.1	0	112.1	E327 K328 P330 I453 P454 R459 L460 K461	E327-K457 WeakPolarHBondContact O-CE 3.43Å; K328-K457 WeakPolarHBondContact O-CE 3.35Å; K328-K457 PolarHBondContact O-NZ 3.36Å; P330-K457 HydrophobicContact CG-CB 4.46Å; P330-K457 HydrophobicContact CG-CG 3.67Å; I453-K457 HydrophobicContact CG2-CD 4.19Å; I453-K457 HydrophobicContact CG2-CG 4.34Å; I453-K457 WeakPolarHBondContact O-CG 3.44Å; I453-K457 PolarHBondContact O-N 3.01Å; P454-K457 PolarHBondContact O-N 3.04Å; K457-R459 VanDerWaalsContact C-N 3.29Å; K457-R459 PolarHBondContact O-N 2.87Å; K457-L460 PolarHBondContact O-N 2.87Å; K457-K461 PolarHBondContact O-N 2.66Å
458	Q	95.9	Very high	94.6	Very high	99 Å²	99	80.7 Å²	80.7	46%	0.463	39%	0.389	S	S	.	.	H	α-helix	trans	-61.2	-40.3	176.7	-166	-172.7	21.4	0	0	111.4	P454 K455 A456 K461 R462	P454-Q458 PolarHBondContact O-N 3.34Å; K455-Q458 PolarHBondContact O-N 3.32Å; A456-Q458 PolarHBondContact O-N 2.9Å; Q458-K461 WeakPolarHBondContact O-CB 3.46Å; Q458-K461 PolarHBondContact O-N 3.25Å; Q458-R462 VanDerWaalsContact NE2-NH2 3.14Å; Q458-R462 WeakPolarHBondContact O-CG 3.37Å; Q458-R462 PolarHBondContact O-N 3.12Å
459	R	95.1	Very high	94.6	Very high	101 Å²	101	85.9 Å²	85.9	38%	0.381	42%	0.417	S	S	.	.	H	α-helix	trans	-63.6	-41.4	175	179.6	163.8	172.7	152.4	-1.4	112.4	P334 K455 A456 K457 K461 R462 L463	P334-R459 HydrophobicContact CG-CG 4.44Å; P334-R459 PolarHBondContact O-NE 2.94Å; P334-R459 PolarHBondContact O-NH2 3.16Å; K455-R459 PolarHBondContact O-N 3.06Å; A456-R459 WeakPolarHBondContact O-CB 3.19Å; A456-R459 PolarHBondContact O-N 3.41Å; K457-R459 VanDerWaalsContact C-N 3.29Å; K457-R459 PolarHBondContact O-N 2.87Å; R459-K461 VanDerWaalsContact C-N 3.32Å; R459-K461 PolarHBondContact O-N 3.24Å; R459-R462 PolarHBondContact O-N 3.47Å; R459-L463 HydrophobicContact CG-CD1 4.26Å; R459-L463 HydrophobicContact CG-CG 4.49Å; R459-L463 WeakPolarHBondContact O-CG 3.49Å; R459-L463 PolarHBondContact O-N 3.28Å
460	L	95	Very high	94.5	Very high	20 Å²	20	87.2 Å²	87.2	11%	0.105	42%	0.418	C	S	.	.	H	α-helix	trans	-61.6	-39.8	174	-73.6	-169.2	0	0	0	112.4	P330 P334 R337 A456 K457 L463 R464	P330-L460 HydrophobicContact CB-CD1 3.52Å; P330-L460 HydrophobicContact CB-CG 4.1Å; P330-L460 HydrophobicContact CG-CD1 4.22Å; P334-L460 HydrophobicContact CB-CD2 4.47Å; P334-L460 HydrophobicContact CG-CD2 3.75Å; R337-L460 HydrophobicContact CG-CD2 4.43Å; A456-L460 PolarHBondContact O-N 3.42Å; K457-L460 PolarHBondContact O-N 2.87Å; L460-L463 HydrophobicContact CD2-CD1 4.38Å; L460-L463 PolarHBondContact O-N 2.95Å; L460-R464 WeakPolarHBondContact O-CB 3.29Å; L460-R464 PolarHBondContact O-N 3.07Å
461	K	95.3	Very high	94.4	Very high	128 Å²	128	87.2 Å²	87.2	56%	0.557	42%	0.419	S	S	*	.	H	α-helix	trans	-60.9	-44.3	173.2	-69.1	179.2	-178.9	-177.6	0	111.4	K457 Q458 R459 R464 N465	K457-K461 PolarHBondContact O-N 2.66Å; Q458-K461 WeakPolarHBondContact O-CB 3.46Å; Q458-K461 PolarHBondContact O-N 3.25Å; R459-K461 VanDerWaalsContact C-N 3.32Å; R459-K461 PolarHBondContact O-N 3.24Å; K461-R464 WeakPolarHBondContact O-CB 3.32Å; K461-R464 PolarHBondContact O-N 3.45Å; K461-N465 VanDerWaalsContact O-CG 3.28Å; K461-N465 PolarHBondContact O-N 2.88Å; K461-N465 PolarHBondContact O-OD1 2.94Å
462	R	96	Very high	94.3	Very high	147 Å²	147	87.1 Å²	87.1	56%	0.555	41%	0.411	S	S	*	.	H	α-helix	trans	-61.4	-46.2	175.5	-68.5	178.9	-169.4	-179.9	4.5	111.9	Q458 R459 R464 N465 I466	Q458-R462 VanDerWaalsContact NE2-NH2 3.14Å; Q458-R462 WeakPolarHBondContact O-CG 3.37Å; Q458-R462 PolarHBondContact O-N 3.12Å; R459-R462 PolarHBondContact O-N 3.47Å; R462-R464 VanDerWaalsContact C-N 3.27Å; R462-R464 PolarHBondContact O-N 2.75Å; R462-N465 PolarHBondContact O-N 3.18Å; R462-N465 VanDerWaalsContact O-N 3.16Å; R462-I466 WeakPolarHBondContact O-CG1 3.03Å; R462-I466 PolarHBondContact O-N 3.42Å
463	L	94.8	Very high	94.3	Very high	35 Å²	35	88.5 Å²	88.5	18%	0.183	42%	0.421	C	S	.	.	H	α-helix	trans	-61.9	-35.6	176.5	-71.1	172.6	0	0	0	112.3	P334 R337 R459 L460 H467	P334-L463 HydrophobicContact CB-CD1 4.5Å; P334-L463 HydrophobicContact CG-CD1 3.95Å; R337-L463 HydrophobicContact CG-CB 3.91Å; R459-L463 HydrophobicContact CG-CD1 4.26Å; R459-L463 HydrophobicContact CG-CG 4.49Å; R459-L463 WeakPolarHBondContact O-CG 3.49Å; R459-L463 PolarHBondContact O-N 3.28Å; L460-L463 HydrophobicContact CD2-CD1 4.38Å; L460-L463 PolarHBondContact O-N 2.95Å; L463-H467 WeakPolarHBondContact O-CB 3.48Å; L463-H467 PolarHBondContact O-N 3.14Å
464	R	94.1	Very high	94.1	Very high	95 Å²	95	92.1 Å²	92.1	36%	0.358	44%	0.44	S	S	.	.	H	α-helix	trans	-63	-47.3	172.4	-176.2	-179.6	66.1	-178	4.2	111.3	L460 K461 R462 I466 H467 Y468	L460-R464 WeakPolarHBondContact O-CB 3.29Å; L460-R464 PolarHBondContact O-N 3.07Å; K461-R464 WeakPolarHBondContact O-CB 3.32Å; K461-R464 PolarHBondContact O-N 3.45Å; R462-R464 VanDerWaalsContact C-N 3.27Å; R462-R464 PolarHBondContact O-N 2.75Å; R464-I466 PolarHBondContact O-N 3.24Å; R464-H467 WeakPolarHBondContact O-CB 3.3Å; R464-H467 PolarHBondContact O-N 3.25Å; R464-Y468 HydrophobicContact CG-CD2 3.98Å; R464-Y468 HydrophobicContact CG-CE1 4.44Å; R464-Y468 HydrophobicContact CG-CE2 3.41Å; R464-Y468 VanDerWaalsContact CG-CE2 3.41Å; R464-Y468 PolarHBondContact O-N 3.31Å
465	N	95.3	Very high	94	Very high	94 Å²	94	94 Å²	94	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-40.3	-179.6	-64.8	0.8	0	0	0	111.7	K461 R462 H467 Y468 L469	K461-N465 VanDerWaalsContact O-CG 3.28Å; K461-N465 PolarHBondContact O-N 2.88Å; K461-N465 PolarHBondContact O-OD1 2.94Å; R462-N465 PolarHBondContact O-N 3.18Å; R462-N465 VanDerWaalsContact O-N 3.16Å; N465-H467 VanDerWaalsContact C-N 3.3Å; N465-H467 PolarHBondContact O-N 3.04Å; N465-Y468 PolarHBondContact O-N 2.8Å; N465-L469 WeakPolarHBondContact O-CB 3.4Å; N465-L469 PolarHBondContact O-N 3.48Å
466	I	92.9	Very high	93.7	Very high	108 Å²	108	90.5 Å²	90.5	55%	0.554	43%	0.428	S	S	*	.	H	α-helix	trans	-59.4	-43.9	173.3	-68.8	165.6	0	0	0	110.5	R462 R464 L469 F470	R462-I466 WeakPolarHBondContact O-CG1 3.03Å; R462-I466 PolarHBondContact O-N 3.42Å; R464-I466 PolarHBondContact O-N 3.24Å; I466-L469 PolarHBondContact O-N 2.98Å; I466-F470 VanDerWaalsContact O-CB 3.31Å; I466-F470 WeakPolarHBondContact O-CB 3.35Å; I466-F470 PolarHBondContact O-N 3.35Å
467	H	89.6	Confident	93.5	Very high	87 Å²	87	95.1 Å²	95.1	40%	0.403	45%	0.451	S	S	.	.	H	α-helix	trans	-63.4	-44.5	177.8	179.3	64.1	0	0	0	112.4	L463 R464 N465 F470 N471	L463-H467 WeakPolarHBondContact O-CB 3.48Å; L463-H467 PolarHBondContact O-N 3.14Å; R464-H467 WeakPolarHBondContact O-CB 3.3Å; R464-H467 PolarHBondContact O-N 3.25Å; N465-H467 VanDerWaalsContact C-N 3.3Å; N465-H467 PolarHBondContact O-N 3.04Å; H467-F470 PolarHBondContact O-N 3.02Å; H467-N471 PolarHBondContact CE1-ND2 3.11Å; H467-N471 PolarHBondContact CE1-OD1 3.45Å; H467-N471 PolarHBondContact NE2-ND2 3.34Å; H467-N471 VanDerWaalsContact O-CG 3.27Å; H467-N471 PolarHBondContact O-N 2.65Å; H467-N471 PolarHBondContact O-OD1 2.91Å
468	Y	93.4	Very high	93.3	Very high	125 Å²	125	93.5 Å²	93.5	49%	0.49	45%	0.454	S	S	.	.	H	α-helix	trans	-62.9	-46.1	175.8	-66.3	-29.1	0	0	0	111.8	R464 N465 F470 N471 T472	R464-Y468 HydrophobicContact CG-CD2 3.98Å; R464-Y468 HydrophobicContact CG-CE1 4.44Å; R464-Y468 HydrophobicContact CG-CE2 3.41Å; R464-Y468 VanDerWaalsContact CG-CE2 3.41Å; R464-Y468 PolarHBondContact O-N 3.31Å; N465-Y468 PolarHBondContact O-N 2.8Å; Y468-F470 VanDerWaalsContact C-N 3.31Å; Y468-F470 PolarHBondContact O-N 2.87Å; Y468-N471 PolarHBondContact O-N 3.44Å; Y468-T472 WeakPolarHBondContact O-CB 3.34Å; Y468-T472 PolarHBondContact O-N 3.18Å; Y468-T472 PolarHBondContact O-OG1 2.92Å
469	L	94.5	Very high	92.9	Very high	127 Å²	127	91.3 Å²	91.3	67%	0.665	44%	0.442	S	S	*	.	H	α-helix	trans	-58.3	-44.3	176.5	-178.2	64.6	0	0	0	111.7	N465 I466 T472 A473	N465-L469 WeakPolarHBondContact O-CB 3.4Å; N465-L469 PolarHBondContact O-N 3.48Å; I466-L469 PolarHBondContact O-N 2.98Å; L469-T472 PolarHBondContact O-N 3.41Å; L469-A473 WeakPolarHBondContact O-CB 3.36Å; L469-A473 PolarHBondContact O-N 3.23Å
470	F	90.8	Very high	92.6	Very high	131 Å²	131	96 Å²	96	58%	0.575	46%	0.459	S	S	*	.	H	α-helix	trans	-61.6	-47.9	176.8	177.8	-95.9	0	0	0	112	I466 H467 Y468 T472 A473 L474	I466-F470 VanDerWaalsContact O-CB 3.31Å; I466-F470 WeakPolarHBondContact O-CB 3.35Å; I466-F470 PolarHBondContact O-N 3.35Å; H467-F470 PolarHBondContact O-N 3.02Å; Y468-F470 VanDerWaalsContact C-N 3.31Å; Y468-F470 PolarHBondContact O-N 2.87Å; F470-T472 PolarHBondContact O-N 3.49Å; F470-A473 PolarHBondContact O-N 2.87Å; F470-L474 HydrophobicContact CE1-CD2 4.48Å; F470-L474 WeakPolarHBondContact O-CB 3.41Å; F470-L474 PolarHBondContact O-N 3.44Å
471	N	90.7	Very high	92.4	Very high	66 Å²	66	100 Å²	100	35%	0.353	48%	0.48	S	S	.	.	H	α-helix	trans	-64.8	-39.8	178.8	-68.6	-5.7	0	0	0	111.7	H467 Y468 L474 F475	H467-N471 PolarHBondContact CE1-ND2 3.11Å; H467-N471 PolarHBondContact CE1-OD1 3.45Å; H467-N471 PolarHBondContact NE2-ND2 3.34Å; H467-N471 VanDerWaalsContact O-CG 3.27Å; H467-N471 PolarHBondContact O-N 2.65Å; H467-N471 PolarHBondContact O-OD1 2.91Å; Y468-N471 PolarHBondContact O-N 3.44Å; N471-L474 PolarHBondContact O-N 2.95Å; N471-F475 VanDerWaalsContact O-CB 3.29Å; N471-F475 WeakPolarHBondContact O-CB 3.18Å; N471-F475 PolarHBondContact O-N 3.36Å
472	T	94.1	Very high	92.1	Very high	76 Å²	76	98.1 Å²	98.1	47%	0.466	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-45.5	175.3	-60.2	0	0	0	0	110.8	Y468 L469 F470 L474 F475 L476	Y468-T472 WeakPolarHBondContact O-CB 3.34Å; Y468-T472 PolarHBondContact O-N 3.18Å; Y468-T472 PolarHBondContact O-OG1 2.92Å; L469-T472 PolarHBondContact O-N 3.41Å; F470-T472 PolarHBondContact O-N 3.49Å; T472-L474 PolarHBondContact O-N 2.88Å; T472-F475 PolarHBondContact O-N 2.84Å; T472-L476 HydrophobicContact CG2-CD1 4.08Å; T472-L476 HydrophobicContact CG2-CG 4.42Å; T472-L476 WeakPolarHBondContact O-CB 3.45Å; T472-L476 VanDerWaalsContact O-CG 3.25Å; T472-L476 WeakPolarHBondContact O-CG 3.35Å; T472-L476 PolarHBondContact O-N 2.88Å
473	A	93.8	Very high	91.7	Very high	44 Å²	44	92.8 Å²	92.8	36%	0.364	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-45.1	176.5	0	0	0	0	0	111.7	L469 F470 F475 L476 I477	L469-A473 WeakPolarHBondContact O-CB 3.36Å; L469-A473 PolarHBondContact O-N 3.23Å; F470-A473 PolarHBondContact O-N 2.87Å; A473-F475 PolarHBondContact O-N 3.24Å; A473-L476 PolarHBondContact O-N 2.91Å; A473-I477 WeakPolarHBondContact O-CD1 3.3Å; A473-I477 VanDerWaalsContact O-CG1 3.24Å; A473-I477 WeakPolarHBondContact O-CG1 3.48Å; A473-I477 PolarHBondContact O-N 3.33Å
474	L	91.1	Very high	91.2	Very high	102 Å²	102	94.5 Å²	94.5	53%	0.534	48%	0.477	S	S	.	.	H	α-helix	trans	-61.3	-44.6	176.9	-176.3	65.9	0	0	0	111.7	F470 N471 T472 I477 A478	F470-L474 HydrophobicContact CE1-CD2 4.48Å; F470-L474 WeakPolarHBondContact O-CB 3.41Å; F470-L474 PolarHBondContact O-N 3.44Å; N471-L474 PolarHBondContact O-N 2.95Å; T472-L474 PolarHBondContact O-N 2.88Å; L474-I477 PolarHBondContact O-N 3.49Å; L474-A478 WeakPolarHBondContact O-CB 3.33Å; L474-A478 PolarHBondContact O-N 3.44Å
475	F	92.3	Very high	90.9	Very high	130 Å²	130	100.6 Å²	100.6	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-59.7	-47.3	175.6	174.9	-96.2	0	0	0	111.4	N471 T472 A473 I477 A478 W479	N471-F475 VanDerWaalsContact O-CB 3.29Å; N471-F475 WeakPolarHBondContact O-CB 3.18Å; N471-F475 PolarHBondContact O-N 3.36Å; T472-F475 PolarHBondContact O-N 2.84Å; A473-F475 PolarHBondContact O-N 3.24Å; F475-I477 VanDerWaalsContact C-N 3.34Å; F475-I477 PolarHBondContact O-N 2.9Å; F475-A478 PolarHBondContact O-N 3.37Å; F475-W479 WeakPolarHBondContact O-CB 3.25Å; F475-W479 PolarHBondContact O-N 3.01Å
476	L	91.8	Very high	90.6	Very high	93 Å²	93	98.1 Å²	98.1	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-62.9	-38.8	178.7	-70.2	173.6	0	0	0	112.4	T472 A473 R480	T472-L476 HydrophobicContact CG2-CD1 4.08Å; T472-L476 HydrophobicContact CG2-CG 4.42Å; T472-L476 WeakPolarHBondContact O-CB 3.45Å; T472-L476 VanDerWaalsContact O-CG 3.25Å; T472-L476 WeakPolarHBondContact O-CG 3.35Å; T472-L476 PolarHBondContact O-N 2.88Å; A473-L476 PolarHBondContact O-N 2.91Å; L476-R480 VanDerWaalsContact O-CB 3.3Å; L476-R480 WeakPolarHBondContact O-CB 3.48Å; L476-R480 PolarHBondContact O-N 3.11Å
477	I	92	Very high	90.3	Very high	102 Å²	102	98 Å²	98	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-65.4	-49.5	175.6	-68.4	164.2	0	0	0	110.4	A473 L474 F475 W479 R480 L481	A473-I477 WeakPolarHBondContact O-CD1 3.3Å; A473-I477 VanDerWaalsContact O-CG1 3.24Å; A473-I477 WeakPolarHBondContact O-CG1 3.48Å; A473-I477 PolarHBondContact O-N 3.33Å; L474-I477 PolarHBondContact O-N 3.49Å; F475-I477 VanDerWaalsContact C-N 3.34Å; F475-I477 PolarHBondContact O-N 2.9Å; I477-W479 VanDerWaalsContact C-N 3.34Å; I477-W479 PolarHBondContact O-N 3.39Å; I477-R480 PolarHBondContact O-N 3.48Å; I477-L481 HydrophobicContact CG2-CD1 4.23Å; I477-L481 WeakPolarHBondContact O-CG 3.44Å; I477-L481 PolarHBondContact O-N 2.95Å
478	A	90.5	Very high	90.2	Very high	54 Å²	54	100.7 Å²	100.7	45%	0.446	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-43.5	178.7	0	0	0	0	0	111.7	L474 F475 L481 L482	L474-A478 WeakPolarHBondContact O-CB 3.33Å; L474-A478 PolarHBondContact O-N 3.44Å; F475-A478 PolarHBondContact O-N 3.37Å; A478-L481 PolarHBondContact O-N 3.23Å; A478-L482 WeakPolarHBondContact O-CB 3.41Å; A478-L482 PolarHBondContact O-N 3.35Å
479	W	88.2	Confident	89.7	Confident	53 Å²	53	95 Å²	95	20%	0.201	48%	0.481	C	S	.	.	H	α-helix	trans	-62.4	-43.3	176.9	-175.1	-115.4	0	0	0	112.1	F475 I477 L481 L482 I483 V492 W493	F475-W479 WeakPolarHBondContact O-CB 3.25Å; F475-W479 PolarHBondContact O-N 3.01Å; I477-W479 VanDerWaalsContact C-N 3.34Å; I477-W479 PolarHBondContact O-N 3.39Å; W479-L481 PolarHBondContact O-N 3.18Å; W479-L482 HydrophobicContact CE3-CD2 3.91Å; W479-L482 HydrophobicContact CH2-CD2 4.48Å; W479-L482 HydrophobicContact CZ3-CD2 3.7Å; W479-L482 PolarHBondContact O-N 3.45Å; W479-I483 HydrophobicContact CD2-CD1 4.35Å; W479-I483 HydrophobicContact CD2-CG1 4.43Å; W479-I483 HydrophobicContact CG-CD1 4.3Å; W479-I483 HydrophobicContact CZ2-CD1 4.23Å; W479-I483 HydrophobicContact CZ2-CG1 4.33Å; W479-I483 WeakPolarHBondContact O-CG1 3.24Å; W479-I483 PolarHBondContact O-N 2.92Å; W479-V492 HydrophobicContact CH2-CG1 4.25Å; W479-W493 AromaticContact CD1-CE3 3.99Å; W479-W493 AromaticContact CD1-CZ3 3.93Å; W479-W493 AromaticContact CE2-CE3 3.71Å; W479-W493 HydrophobicContact CZ2-CB 4.02Å; W479-W493 AromaticContact CZ2-CE3 3.92Å; W479-W493 HydrophobicContact CZ2-CE3 3.92Å; W479-W493 AromaticContact NE1-CD2 3.56Å; W479-W493 AromaticContact NE1-CE3 2.94Å; W479-W493 AromaticContact NE1-CZ3 3.26Å; W479-W493 VanDerWaalsContact NE1-CZ3 3.26Å
480	R	88.3	Confident	89.3	Confident	199 Å²	199	92.7 Å²	92.7	75%	0.751	46%	0.463	S	S	*	.	H	α-helix	trans	-61	-42.3	175.1	-175.9	173.8	-178.9	174.1	0.3	112.3	L476 I477 L482 A484	L476-R480 VanDerWaalsContact O-CB 3.3Å; L476-R480 WeakPolarHBondContact O-CB 3.48Å; L476-R480 PolarHBondContact O-N 3.11Å; I477-R480 PolarHBondContact O-N 3.48Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.46Å; R480-A484 WeakPolarHBondContact O-CB 3.49Å; R480-A484 PolarHBondContact O-N 3.15Å; R480-A484 VanDerWaalsContact O-N 3.1Å
481	L	90	Very high	89.2	Confident	105 Å²	105	90.9 Å²	90.9	55%	0.55	46%	0.459	S	S	.	.	H	α-helix	trans	-65.2	-35.9	176.3	-69.1	172.3	0	0	0	112.1	I477 A478 W479 R485	I477-L481 HydrophobicContact CG2-CD1 4.23Å; I477-L481 WeakPolarHBondContact O-CG 3.44Å; I477-L481 PolarHBondContact O-N 2.95Å; A478-L481 PolarHBondContact O-N 3.23Å; W479-L481 PolarHBondContact O-N 3.18Å; L481-R485 PolarHBondContact O-N 3.45Å
482	L	89.4	Confident	89	Confident	88 Å²	88	90.8 Å²	90.8	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-74	-42.1	179.9	-174.9	133.7	0	0	0	112.1	A478 W479 R480 A484 R485 S486 A489	A478-L482 WeakPolarHBondContact O-CB 3.41Å; A478-L482 PolarHBondContact O-N 3.35Å; W479-L482 HydrophobicContact CE3-CD2 3.91Å; W479-L482 HydrophobicContact CH2-CD2 4.48Å; W479-L482 HydrophobicContact CZ3-CD2 3.7Å; W479-L482 PolarHBondContact O-N 3.45Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.46Å; L482-A484 VanDerWaalsContact C-N 3.29Å; L482-A484 PolarHBondContact O-N 2.88Å; L482-R485 PolarHBondContact O-N 3.38Å; L482-R485 VanDerWaalsContact O-N 3.14Å; L482-S486 WeakPolarHBondContact O-CB 3.38Å; L482-S486 PolarHBondContact O-N 2.92Å; L482-A489 HydrophobicContact CD2-CB 3.26Å; L482-A489 HydrophobicContact CG-CB 4.25Å
483	I	87.2	Confident	88.6	Confident	34 Å²	34	92 Å²	92	17%	0.174	46%	0.457	C	S	.	.	H	α-helix	trans	-57.7	-41.6	170.2	-73.3	176.8	0	0	0	111.3	W479 R485 A489 R490 W493	W479-I483 HydrophobicContact CD2-CD1 4.35Å; W479-I483 HydrophobicContact CD2-CG1 4.43Å; W479-I483 HydrophobicContact CG-CD1 4.3Å; W479-I483 HydrophobicContact CZ2-CD1 4.23Å; W479-I483 HydrophobicContact CZ2-CG1 4.33Å; W479-I483 WeakPolarHBondContact O-CG1 3.24Å; W479-I483 PolarHBondContact O-N 2.92Å; I483-R485 PolarHBondContact O-N 3.39Å; I483-A489 HydrophobicContact CG1-CB 4.41Å; I483-R490 HydrophobicContact CG2-CG 3.73Å; I483-R490 WeakPolarHBondContact O-CG 3.18Å; I483-R490 PolarHBondContact O-NH1 2.93Å; I483-W493 HydrophobicContact CD1-CB 3.76Å; I483-W493 HydrophobicContact CD1-CD2 3.85Å; I483-W493 HydrophobicContact CD1-CE3 4.41Å; I483-W493 HydrophobicContact CD1-CG 3.55Å; I483-W493 HydrophobicContact CG1-CB 4.33Å
484	A	85.9	Confident	88.2	Confident	72 Å²	72	96.6 Å²	96.6	60%	0.595	47%	0.469	S	S	*	.	H	α-helix	trans	-62	-31.7	179.1	0	0	0	0	0	112.2	R480 L482 R490	R480-A484 WeakPolarHBondContact O-CB 3.49Å; R480-A484 PolarHBondContact O-N 3.15Å; R480-A484 VanDerWaalsContact O-N 3.1Å; L482-A484 VanDerWaalsContact C-N 3.29Å; L482-A484 PolarHBondContact O-N 2.88Å; A484-R490 PolarHBondContact O-NH1 3.36Å
485	R	88.1	Confident	88	Confident	223 Å²	223	98.9 Å²	98.9	84%	0.842	48%	0.475	S	S	*	.	H	α-helix	trans	-103.6	-16.2	-173.4	-66.8	-175.2	176.5	-175.2	-1.1	115.4	L481 L482 I483	L481-R485 PolarHBondContact O-N 3.45Å; L482-R485 PolarHBondContact O-N 3.38Å; L482-R485 VanDerWaalsContact O-N 3.14Å; I483-R485 PolarHBondContact O-N 3.39Å
486	S	88.5	Confident	87.7	Confident	41 Å²	41	96.2 Å²	96.2	29%	0.287	47%	0.466	S	S	.	.			trans	-127	121.8	-173.7	175.7	0	0	0	0	112.7	L482 M488 A489 R490	L482-S486 WeakPolarHBondContact O-CB 3.38Å; L482-S486 PolarHBondContact O-N 2.92Å; S486-M488 VanDerWaalsContact C-N 3.32Å; S486-M488 PolarHBondContact O-N 3.31Å; S486-M488 PolarHBondContact OG-N 2.9Å; S486-A489 PolarHBondContact O-N 3.49Å; S486-A489 PolarHBondContact OG-N 3.34Å; S486-R490 PolarHBondContact O-N 3.49Å; S486-R490 VanDerWaalsContact O-N 3.15Å
487	Q	86.3	Confident	87.4	Confident	106 Å²	106	94.9 Å²	94.9	50%	0.495	46%	0.462	S	S	.	.	H	α-helix	trans	-62.5	-39.4	173.5	-175.5	64.2	28.1	0	0	111.8	A489 R490 N491	Q487-A489 VanDerWaalsContact C-N 3.3Å; Q487-A489 PolarHBondContact O-N 3.39Å; Q487-R490 WeakPolarHBondContact O-CB 3.49Å; Q487-R490 PolarHBondContact O-N 2.95Å; Q487-N491 PolarHBondContact NE2-OD1 3.25Å; Q487-N491 VanDerWaalsContact NE2-OD1 3.16Å; Q487-N491 VanDerWaalsContact O-CG 3.31Å; Q487-N491 PolarHBondContact O-N 2.8Å; Q487-N491 PolarHBondContact O-OD1 3.41Å
488	M	86.9	Confident	87.1	Confident	144 Å²	144	92.9 Å²	92.9	71%	0.709	46%	0.457	S	S	*	.	H	α-helix	trans	-59.5	-42.9	176.8	-172.3	179.8	108.5	0	0	111.1	S486 N491 V492	S486-M488 VanDerWaalsContact C-N 3.32Å; S486-M488 PolarHBondContact O-N 3.31Å; S486-M488 PolarHBondContact OG-N 2.9Å; M488-N491 PolarHBondContact O-N 3.35Å; M488-V492 WeakPolarHBondContact O-CG2 3.37Å; M488-V492 PolarHBondContact O-N 2.89Å
489	A	83.5	Confident	86.9	Confident	6 Å²	6	96.3 Å²	96.3	5%	0.05	46%	0.462	C	S	.	.	H	α-helix	trans	-65.4	-39.3	177.5	0	0	0	0	0	113.4	L482 I483 S486 Q487 N491 V492 W493	L482-A489 HydrophobicContact CD2-CB 3.26Å; L482-A489 HydrophobicContact CG-CB 4.25Å; I483-A489 HydrophobicContact CG1-CB 4.41Å; S486-A489 PolarHBondContact O-N 3.49Å; S486-A489 PolarHBondContact OG-N 3.34Å; Q487-A489 VanDerWaalsContact C-N 3.3Å; Q487-A489 PolarHBondContact O-N 3.39Å; A489-N491 VanDerWaalsContact C-N 3.34Å; A489-V492 PolarHBondContact O-N 3.22Å; A489-W493 WeakPolarHBondContact O-CB 3.39Å; A489-W493 PolarHBondContact O-N 3.39Å
490	R	87	Confident	86.7	Confident	78 Å²	78	96.8 Å²	96.8	29%	0.294	47%	0.473	S	S	.	.	H	α-helix	trans	-57.5	-48.6	171.9	-74.1	-172.6	-73.6	-99.7	14	110.8	I483 A484 S486 Q487 V492 W493 F494	I483-R490 HydrophobicContact CG2-CG 3.73Å; I483-R490 WeakPolarHBondContact O-CG 3.18Å; I483-R490 PolarHBondContact O-NH1 2.93Å; A484-R490 PolarHBondContact O-NH1 3.36Å; S486-R490 PolarHBondContact O-N 3.49Å; S486-R490 VanDerWaalsContact O-N 3.15Å; Q487-R490 WeakPolarHBondContact O-CB 3.49Å; Q487-R490 PolarHBondContact O-N 2.95Å; R490-V492 PolarHBondContact O-N 2.97Å; R490-W493 WeakPolarHBondContact O-CB 3.35Å; R490-W493 PolarHBondContact O-N 2.92Å; R490-F494 HydrophobicContact CB-CD2 4.46Å; R490-F494 HydrophobicContact CB-CE2 4.43Å; R490-F494 WeakPolarHBondContact O-CD2 3.32Å; R490-F494 PolarHBondContact O-N 3.45Å
491	N	88.4	Confident	86.6	Confident	93 Å²	93	95.7 Å²	95.7	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-61	-44.9	-179.6	-65.9	-5.2	0	0	0	111.6	Q487 M488 A489 W493 F494 F495	Q487-N491 PolarHBondContact NE2-OD1 3.25Å; Q487-N491 VanDerWaalsContact NE2-OD1 3.16Å; Q487-N491 VanDerWaalsContact O-CG 3.31Å; Q487-N491 PolarHBondContact O-N 2.8Å; Q487-N491 PolarHBondContact O-OD1 3.41Å; M488-N491 PolarHBondContact O-N 3.35Å; A489-N491 VanDerWaalsContact C-N 3.34Å; N491-W493 VanDerWaalsContact C-N 3.35Å; N491-W493 PolarHBondContact O-N 3.5Å; N491-F494 PolarHBondContact O-N 2.86Å; N491-F495 WeakPolarHBondContact O-CB 3.3Å; N491-F495 PolarHBondContact O-N 2.9Å
492	V	86.4	Confident	86.3	Confident	63 Å²	63	97.1 Å²	97.1	38%	0.382	47%	0.471	S	S	.	.	H	α-helix	trans	-61.1	-43.3	174.9	171.6	0	0	0	0	111.3	W479 M488 A489 R490 F495 I496	W479-V492 HydrophobicContact CH2-CG1 4.25Å; M488-V492 WeakPolarHBondContact O-CG2 3.37Å; M488-V492 PolarHBondContact O-N 2.89Å; A489-V492 PolarHBondContact O-N 3.22Å; R490-V492 PolarHBondContact O-N 2.97Å; V492-F495 WeakPolarHBondContact O-CB 3.37Å; V492-F495 PolarHBondContact O-N 3.44Å; V492-I496 HydrophobicContact CG1-CD1 3.81Å; V492-I496 HydrophobicContact CG1-CG1 4.44Å; V492-I496 WeakPolarHBondContact O-CG1 3.45Å; V492-I496 PolarHBondContact O-N 2.98Å
493	W	84.9	Confident	86	Confident	101 Å²	101	98.5 Å²	98.5	38%	0.383	47%	0.474	S	S	.	.	H	α-helix	trans	-61.9	-48.2	177.4	179.6	-111.3	0	0	0	112.4	W479 I483 A489 R490 N491 F495 I496 V497	W479-W493 AromaticContact CD1-CE3 3.99Å; W479-W493 AromaticContact CD1-CZ3 3.93Å; W479-W493 AromaticContact CE2-CE3 3.71Å; W479-W493 HydrophobicContact CZ2-CB 4.02Å; W479-W493 AromaticContact CZ2-CE3 3.92Å; W479-W493 HydrophobicContact CZ2-CE3 3.92Å; W479-W493 AromaticContact NE1-CD2 3.56Å; W479-W493 AromaticContact NE1-CE3 2.94Å; W479-W493 AromaticContact NE1-CZ3 3.26Å; W479-W493 VanDerWaalsContact NE1-CZ3 3.26Å; I483-W493 HydrophobicContact CD1-CB 3.76Å; I483-W493 HydrophobicContact CD1-CD2 3.85Å; I483-W493 HydrophobicContact CD1-CE3 4.41Å; I483-W493 HydrophobicContact CD1-CG 3.55Å; I483-W493 HydrophobicContact CG1-CB 4.33Å; A489-W493 WeakPolarHBondContact O-CB 3.39Å; A489-W493 PolarHBondContact O-N 3.39Å; R490-W493 WeakPolarHBondContact O-CB 3.35Å; R490-W493 PolarHBondContact O-N 2.92Å; N491-W493 VanDerWaalsContact C-N 3.35Å; N491-W493 PolarHBondContact O-N 3.5Å; W493-F495 VanDerWaalsContact C-N 3.28Å; W493-F495 PolarHBondContact O-N 2.82Å; W493-I496 PolarHBondContact O-N 3.31Å; W493-V497 HydrophobicContact CD2-CG2 3.94Å; W493-V497 HydrophobicContact CE3-CG2 4.42Å; W493-V497 HydrophobicContact CG-CG2 4.38Å; W493-V497 HydrophobicContact CH2-CG2 4.41Å; W493-V497 HydrophobicContact CZ2-CG2 3.85Å; W493-V497 WeakPolarHBondContact O-CG2 3.4Å; W493-V497 PolarHBondContact O-N 3.43Å
494	F	85.9	Confident	85.7	Confident	141 Å²	141	102.3 Å²	102.3	62%	0.618	49%	0.494	S	S	*	.	H	α-helix	trans	-59	-40.6	176	-80.4	-65.9	0	0	0	111.8	R490 N491 S498	R490-F494 HydrophobicContact CB-CD2 4.46Å; R490-F494 HydrophobicContact CB-CE2 4.43Å; R490-F494 WeakPolarHBondContact O-CD2 3.32Å; R490-F494 PolarHBondContact O-N 3.45Å; N491-F494 PolarHBondContact O-N 2.86Å; F494-S498 WeakPolarHBondContact O-CB 3.49Å; F494-S498 PolarHBondContact O-N 3.29Å
495	F	86.9	Confident	85.5	Confident	151 Å²	151	101.6 Å²	101.6	66%	0.662	48%	0.484	S	S	*	.	H	α-helix	trans	-61.4	-48	175	-178.5	-95.7	0	0	0	112.2	N491 V492 W493 S498 F499	N491-F495 WeakPolarHBondContact O-CB 3.3Å; N491-F495 PolarHBondContact O-N 2.9Å; V492-F495 WeakPolarHBondContact O-CB 3.37Å; V492-F495 PolarHBondContact O-N 3.44Å; W493-F495 VanDerWaalsContact C-N 3.28Å; W493-F495 PolarHBondContact O-N 2.82Å; F495-S498 PolarHBondContact O-N 3.45Å; F495-F499 WeakPolarHBondContact O-CB 3.39Å; F495-F499 PolarHBondContact O-N 2.93Å
496	I	85.7	Confident	85	Confident	73 Å²	73	99.7 Å²	99.7	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-48.3	177.8	-68.1	166.4	0	0	0	111	V492 W493 S498 F499 C500	V492-I496 HydrophobicContact CG1-CD1 3.81Å; V492-I496 HydrophobicContact CG1-CG1 4.44Å; V492-I496 WeakPolarHBondContact O-CG1 3.45Å; V492-I496 PolarHBondContact O-N 2.98Å; W493-I496 PolarHBondContact O-N 3.31Å; I496-S498 VanDerWaalsContact C-N 3.33Å; I496-S498 PolarHBondContact O-N 3.33Å; I496-F499 PolarHBondContact O-N 3.03Å; I496-C500 PolarHBondContact O-N 3.23Å; I496-C500 PolarHBondContact O-SG 3.38Å; I496-C500 VanDerWaalsContact O-SG 3.39Å
497	V	85.8	Confident	84.3	Confident	66 Å²	66	103.6 Å²	103.6	40%	0.4	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-42.4	-180	173	0	0	0	0	110.8	W493 C500 Y501	W493-V497 HydrophobicContact CD2-CG2 3.94Å; W493-V497 HydrophobicContact CE3-CG2 4.42Å; W493-V497 HydrophobicContact CG-CG2 4.38Å; W493-V497 HydrophobicContact CH2-CG2 4.41Å; W493-V497 HydrophobicContact CZ2-CG2 3.85Å; W493-V497 WeakPolarHBondContact O-CG2 3.4Å; W493-V497 PolarHBondContact O-N 3.43Å; V497-C500 PolarHBondContact O-N 2.94Å; V497-Y501 WeakPolarHBondContact O-CB 3.17Å; V497-Y501 PolarHBondContact O-N 2.97Å
498	S	85.8	Confident	83.4	Confident	60 Å²	60	108.3 Å²	108.3	42%	0.42	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-42.1	175.3	-177.5	0	0	0	0	112.1	F494 F495 I496 Y501 K502	F494-S498 WeakPolarHBondContact O-CB 3.49Å; F494-S498 PolarHBondContact O-N 3.29Å; F495-S498 PolarHBondContact O-N 3.45Å; I496-S498 VanDerWaalsContact C-N 3.33Å; I496-S498 PolarHBondContact O-N 3.33Å; S498-Y501 PolarHBondContact O-N 3.32Å; S498-K502 WeakPolarHBondContact O-CG 3.33Å; S498-K502 PolarHBondContact O-N 3.41Å
499	F	85.2	Confident	82.2	Confident	125 Å²	125	104.3 Å²	104.3	55%	0.548	49%	0.494	S	S	.	.	H	α-helix	trans	-65.1	-46.5	176.2	-170.8	-94.2	0	0	0	112.2	F495 I496 Y501 K502 F503	F495-F499 WeakPolarHBondContact O-CB 3.39Å; F495-F499 PolarHBondContact O-N 2.93Å; I496-F499 PolarHBondContact O-N 3.03Å; F499-Y501 VanDerWaalsContact C-N 3.3Å; F499-Y501 PolarHBondContact O-N 3.38Å; F499-K502 PolarHBondContact O-N 2.9Å; F499-F503 WeakPolarHBondContact O-CB 3.37Å; F499-F503 PolarHBondContact O-N 3.48Å
500	C	85	Confident	80.9	Confident	64 Å²	64	107.4 Å²	107.4	43%	0.432	52%	0.515	S	S	.	.	H	α-helix	trans	-60.3	-40.3	175.1	-71.7	0	0	0	0	111.9	I496 V497 F503 L504	I496-C500 PolarHBondContact O-N 3.23Å; I496-C500 PolarHBondContact O-SG 3.38Å; I496-C500 VanDerWaalsContact O-SG 3.39Å; V497-C500 PolarHBondContact O-N 2.94Å; C500-F503 PolarHBondContact O-N 2.89Å; C500-L504 WeakPolarHBondContact O-CB 3.4Å; C500-L504 WeakPolarHBondContact O-CG 3.48Å; C500-L504 PolarHBondContact O-N 3.46Å
501	Y	85.9	Confident	79.4	Confident	176 Å²	176	108.1 Å²	108.1	69%	0.69	53%	0.532	S	S	*	.	H	α-helix	trans	-61.9	-47	175.3	-177.3	-94.4	0	0	0	111.7	V497 S498 F499 F503 L504 S505	V497-Y501 WeakPolarHBondContact O-CB 3.17Å; V497-Y501 PolarHBondContact O-N 2.97Å; S498-Y501 PolarHBondContact O-N 3.32Å; F499-Y501 VanDerWaalsContact C-N 3.3Å; F499-Y501 PolarHBondContact O-N 3.38Å; Y501-F503 PolarHBondContact O-N 3.19Å; Y501-L504 PolarHBondContact O-N 2.99Å; Y501-S505 PolarHBondContact O-N 2.89Å; Y501-S505 PolarHBondContact O-OG 3.49Å
502	K	84.3	Confident	77.9	Confident	135 Å²	135	109 Å²	109	59%	0.587	54%	0.54	S	S	*	.	H	α-helix	trans	-61.6	-39.3	174.8	-76.3	-176	179	-176.2	0	113.1	S498 F499 S505 Y506	S498-K502 WeakPolarHBondContact O-CG 3.33Å; S498-K502 PolarHBondContact O-N 3.41Å; F499-K502 PolarHBondContact O-N 2.9Å; K502-S505 WeakPolarHBondContact CA-OG 3.46Å; K502-S505 PolarHBondContact O-N 2.89Å; K502-S505 PolarHBondContact O-OG 3.45Å; K502-Y506 PolarHBondContact O-N 3.36Å; K502-Y506 VanDerWaalsContact O-N 3.11Å
503	F	81.6	Confident	76.1	Confident	117 Å²	117	112.9 Å²	112.9	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-66.4	-46.4	177.5	-171.4	-97.8	0	0	0	111.3	F499 C500 Y501 S505 Y506 F507	F499-F503 WeakPolarHBondContact O-CB 3.37Å; F499-F503 PolarHBondContact O-N 3.48Å; C500-F503 PolarHBondContact O-N 2.89Å; Y501-F503 PolarHBondContact O-N 3.19Å; F503-S505 VanDerWaalsContact C-N 3.34Å; F503-S505 PolarHBondContact O-N 3.42Å; F503-Y506 WeakPolarHBondContact O-CB 3.11Å; F503-Y506 PolarHBondContact O-N 3.1Å; F503-Y506 VanDerWaalsContact O-N 3.15Å; F503-F507 AromaticContact CD1-CD2 3.99Å; F503-F507 HydrophobicContact CD1-CD2 3.99Å; F503-F507 AromaticContact CD1-CE2 3.95Å; F503-F507 HydrophobicContact CD1-CE2 3.95Å; F503-F507 HydrophobicContact CD2-CE2 4.44Å; F503-F507 AromaticContact CE1-CD2 3.77Å; F503-F507 HydrophobicContact CE1-CD2 3.77Å; F503-F507 AromaticContact CE1-CE2 3.32Å; F503-F507 HydrophobicContact CE1-CE2 3.32Å; F503-F507 HydrophobicContact CE1-CZ 4.28Å; F503-F507 AromaticContact CE2-CE2 3.89Å; F503-F507 HydrophobicContact CE2-CE2 3.89Å; F503-F507 HydrophobicContact CG-CE2 4.49Å; F503-F507 HydrophobicContact CZ-CD2 4.18Å; F503-F507 AromaticContact CZ-CE2 3.31Å; F503-F507 HydrophobicContact CZ-CE2 3.31Å; F503-F507 HydrophobicContact CZ-CZ 4.09Å; F503-F507 WeakPolarHBondContact O-CD2 3.46Å; F503-F507 PolarHBondContact O-N 3.16Å
504	L	81	Confident	73.8	Confident	113 Å²	113	117.2 Å²	117.2	59%	0.592	58%	0.58	S	S	*	*	H	α-helix	trans	-63.5	-36.8	175.9	-74	168.6	0	0	0	112.6	C500 Y501 Y506 F507 R508	C500-L504 WeakPolarHBondContact O-CB 3.4Å; C500-L504 WeakPolarHBondContact O-CG 3.48Å; C500-L504 PolarHBondContact O-N 3.46Å; Y501-L504 PolarHBondContact O-N 2.99Å; L504-Y506 VanDerWaalsContact C-N 3.29Å; L504-Y506 PolarHBondContact O-N 3.36Å; L504-F507 PolarHBondContact O-N 3.27Å; L504-R508 PolarHBondContact O-N 3.15Å
505	S	81.6	Confident	71.8	Confident	57 Å²	57	120.9 Å²	120.9	40%	0.399	61%	0.613	S	S	.	*	H	α-helix	trans	-65.4	-34.1	174.3	64	0	0	0	0	112	Y501 K502 F503 R508 A509	Y501-S505 PolarHBondContact O-N 2.89Å; Y501-S505 PolarHBondContact O-OG 3.49Å; K502-S505 WeakPolarHBondContact CA-OG 3.46Å; K502-S505 PolarHBondContact O-N 2.89Å; K502-S505 PolarHBondContact O-OG 3.45Å; F503-S505 VanDerWaalsContact C-N 3.34Å; F503-S505 PolarHBondContact O-N 3.42Å; S505-R508 PolarHBondContact O-N 3.2Å; S505-A509 WeakPolarHBondContact O-CB 3.32Å; S505-A509 PolarHBondContact O-N 3.32Å
506	Y	79.4	Confident	71	Confident	184 Å²	184	119.4 Å²	119.4	72%	0.722	61%	0.611	S	S	*	*	H	α-helix	trans	-65.4	-41.2	175.3	-136.6	-87.1	0	0	0	112.4	K502 F503 L504 A509 S510	K502-Y506 PolarHBondContact O-N 3.36Å; K502-Y506 VanDerWaalsContact O-N 3.11Å; F503-Y506 WeakPolarHBondContact O-CB 3.11Å; F503-Y506 PolarHBondContact O-N 3.1Å; F503-Y506 VanDerWaalsContact O-N 3.15Å; L504-Y506 VanDerWaalsContact C-N 3.29Å; L504-Y506 PolarHBondContact O-N 3.36Å; Y506-A509 PolarHBondContact O-N 3.31Å; Y506-S510 WeakPolarHBondContact O-CB 3.42Å; Y506-S510 PolarHBondContact O-N 3.45Å
507	F	73.1	Confident	70.3	Confident	123 Å²	123	121.8 Å²	121.8	54%	0.539	62%	0.623	S	S	.	*	H	α-helix	trans	-69.7	-38.2	174.9	-84.9	-85.7	0	0	0	113	F503 L504 A509 S510 S511	F503-F507 AromaticContact CD1-CD2 3.99Å; F503-F507 HydrophobicContact CD1-CD2 3.99Å; F503-F507 AromaticContact CD1-CE2 3.95Å; F503-F507 HydrophobicContact CD1-CE2 3.95Å; F503-F507 HydrophobicContact CD2-CE2 4.44Å; F503-F507 AromaticContact CE1-CD2 3.77Å; F503-F507 HydrophobicContact CE1-CD2 3.77Å; F503-F507 AromaticContact CE1-CE2 3.32Å; F503-F507 HydrophobicContact CE1-CE2 3.32Å; F503-F507 HydrophobicContact CE1-CZ 4.28Å; F503-F507 AromaticContact CE2-CE2 3.89Å; F503-F507 HydrophobicContact CE2-CE2 3.89Å; F503-F507 HydrophobicContact CG-CE2 4.49Å; F503-F507 HydrophobicContact CZ-CD2 4.18Å; F503-F507 AromaticContact CZ-CE2 3.31Å; F503-F507 HydrophobicContact CZ-CE2 3.31Å; F503-F507 HydrophobicContact CZ-CZ 4.09Å; F503-F507 WeakPolarHBondContact O-CD2 3.46Å; F503-F507 PolarHBondContact O-N 3.16Å; L504-F507 PolarHBondContact O-N 3.27Å; F507-A509 VanDerWaalsContact C-N 3.26Å; F507-A509 PolarHBondContact O-N 3.02Å; F507-S510 PolarHBondContact O-N 3.49Å; F507-S511 PolarHBondContact O-N 3.36Å; F507-S511 PolarHBondContact O-OG 3.24Å
508	R	66.5	Low	69.4	Low	205 Å²	205	124.9 Å²	124.9	77%	0.774	64%	0.636	S	S	*	*	H	α-helix	trans	-59.5	-40	171.8	-82.5	-174	174.5	-174.9	-1.7	111.5	L504 S505 S511 T512	L504-R508 PolarHBondContact O-N 3.15Å; S505-R508 PolarHBondContact O-N 3.2Å; R508-S511 PolarHBondContact O-OG 3.4Å; R508-S511 VanDerWaalsContact O-OG 3.04Å; R508-T512 PolarHBondContact O-OG1 2.89Å
509	A	63	Low	68.4	Low	59 Å²	59	128.7 Å²	128.7	49%	0.488	65%	0.649	S	S	.	*	H	α-helix	trans	-70.8	-29.2	175.5	0	0	0	0	0	113.6	S505 Y506 F507 T512	S505-A509 WeakPolarHBondContact O-CB 3.32Å; S505-A509 PolarHBondContact O-N 3.32Å; Y506-A509 PolarHBondContact O-N 3.31Å; F507-A509 VanDerWaalsContact C-N 3.26Å; F507-A509 PolarHBondContact O-N 3.02Å; A509-T512 VanDerWaalsContact C-OG1 3.31Å; A509-T512 PolarHBondContact O-OG1 3.29Å
510	S	56.4	Low	67.4	Low	71 Å²	71	128.9 Å²	128.9	50%	0.497	66%	0.655	S	S	.	*	H	α-helix	trans	-82.2	-31.5	177.3	178.6	0	0	0	0	113.6	Y506 F507 T512 L513	Y506-S510 WeakPolarHBondContact O-CB 3.42Å; Y506-S510 PolarHBondContact O-N 3.45Å; F507-S510 PolarHBondContact O-N 3.49Å; S510-T512 PolarHBondContact O-N 3.02Å; S510-L513 PolarHBondContact O-N 3.14Å; S510-L513 VanDerWaalsContact O-N 3.14Å
511	S	55.1	Low	66.2	Low	93 Å²	93	133.3 Å²	133.3	65%	0.65	67%	0.67	S	S	*	*	H	α-helix	trans	-67.7	-19.9	175.1	55.6	0	0	0	0	113.3	F507 R508 L513	F507-S511 PolarHBondContact O-N 3.36Å; F507-S511 PolarHBondContact O-OG 3.24Å; R508-S511 PolarHBondContact O-OG 3.4Å; R508-S511 VanDerWaalsContact O-OG 3.04Å; S511-L513 PolarHBondContact O-N 3.41Å
512	T	55.9	Low	64.8	Low	111 Å²	111	130.2 Å²	130.2	68%	0.681	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	2.2	173.1	36.5	0	0	0	0	113.9	R508 A509 S510	R508-T512 PolarHBondContact O-OG1 2.89Å; A509-T512 VanDerWaalsContact C-OG1 3.31Å; A509-T512 PolarHBondContact O-OG1 3.29Å; S510-T512 PolarHBondContact O-N 3.02Å
513	L	48.3	Very low	63.3	Low	146 Å²	146	129.8 Å²	129.8	76%	0.764	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	23.6	-178.7	-82.8	162.4	0	0	0	114.7	S510 S511	S510-L513 PolarHBondContact O-N 3.14Å; S510-L513 VanDerWaalsContact O-N 3.14Å; S511-L513 PolarHBondContact O-N 3.41Å
514	K	38	Very low	61.8	Low	192 Å²	192	130.9 Å²	130.9	84%	0.835	69%	0.688	S	S	*	*			trans	-130	83.5	166.8	-78.5	-170.5	177.1	-176.2	0	110.8
515	V	42.9	Very low	60	Low	217 Å²	217	132.5 Å²	132.5	100%	1.315	70%	0.697	S	S	*	*				-164.7	0	119.8	168.4	0	0	0	0	106.2

Retrieved 515 of 515 residues in 1558.2 ms (Link to these results)

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