A0A3Q0KU39_SCHMA Loading...

tRNA (uracil-O(2)-)-methyltransferase

Adenosyl-L-methionine (AdoMet)-dependent tRNA (uracil-O(2)-)-methyltransferase.

AlphaFold DB , UniProt , Accession A0A3Q0KU39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 555 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	71.3	Confident	89.8	Confident	152 Å²	152	48.3 Å²	48.3	75%	0.749	27%	0.267	S	S	*	.				0	138.3	0	-148.8	178	-78	0	0	107.6	A3 Y61	M1-A3 PolarHBondContact O-N 3.28Å; M1-Y61 HydrophobicContact SD-CE2 3.98Å
2	D	85.8	Confident	90.2	Very high	48 Å²	48	44.3 Å²	44.3	26%	0.257	25%	0.245	S	C	.	.			trans	-66.2	115.1	-178.5	178.1	-16.6	0	0	0	110.6	R4 F5 T6 K74 Y108	D2-R4 PolarHBondContact O-N 3.02Å; D2-R4 PolarHBondContact OD1-N 3.21Å; D2-F5 HydrophobicContact CB-CB 3.86Å; D2-F5 WeakPolarHBondContact O-CB 3.24Å; D2-F5 PolarHBondContact O-N 3.25Å; D2-F5 VanDerWaalsContact O-N 3.1Å; D2-F5 PolarHBondContact OD1-N 3.25Å; D2-T6 PolarHBondContact O-N 2.71Å; D2-T6 PolarHBondContact O-OG1 3.31Å; D2-K74 IonicContact OD2-NZ 2.64Å; D2-K74 PolarHBondContact OD2-NZ 3.19Å; D2-Y108 WeakPolarHBondContact OD2-CE2 3.33Å; D2-Y108 PolarHBondContact OD2-OH 3.38Å; D2-Y108 VanDerWaalsContact OD2-OH 3.06Å
3	A	88.2	Confident	90.5	Very high	78 Å²	78	41.8 Å²	41.8	65%	0.645	23%	0.231	S	C	*	.	H	α-helix	trans	-59.4	-32.8	-175.5	0	0	0	0	0	113.2	M1 A7	M1-A3 PolarHBondContact O-N 3.28Å; A3-A7 VanDerWaalsContact O-CB 3.31Å; A3-A7 WeakPolarHBondContact O-CB 3.32Å; A3-A7 PolarHBondContact O-N 2.88Å
4	R	91.1	Very high	90.6	Very high	130 Å²	130	42.4 Å²	42.4	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-73.8	-36.4	178.1	-59.6	-170.8	-145.2	172.8	5.8	111.4	D2 A7 A8 Y108	D2-R4 PolarHBondContact O-N 3.02Å; D2-R4 PolarHBondContact OD1-N 3.21Å; R4-A7 PolarHBondContact O-N 2.88Å; R4-A8 WeakPolarHBondContact O-CB 3.24Å; R4-A8 PolarHBondContact O-N 3.18Å; R4-Y108 HydrophobicContact CB-CD2 3.71Å; R4-Y108 HydrophobicContact CB-CE2 3.66Å
5	F	93.5	Very high	90.7	Very high	6 Å²	6	42 Å²	42	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-49.7	174.1	172.9	-115.9	0	0	0	110.5	D2 A7 A8 L9 Y61 V72 K74 I79 Y108	D2-F5 HydrophobicContact CB-CB 3.86Å; D2-F5 WeakPolarHBondContact O-CB 3.24Å; D2-F5 PolarHBondContact O-N 3.25Å; D2-F5 VanDerWaalsContact O-N 3.1Å; D2-F5 PolarHBondContact OD1-N 3.25Å; F5-A7 VanDerWaalsContact C-N 3.32Å; F5-A7 PolarHBondContact O-N 3.32Å; F5-A8 PolarHBondContact O-N 2.74Å; F5-L9 HydrophobicContact CD1-CD1 4Å; F5-L9 HydrophobicContact CD2-CD1 4.06Å; F5-L9 HydrophobicContact CE1-CD1 3.44Å; F5-L9 VanDerWaalsContact CE1-CD1 3.44Å; F5-L9 HydrophobicContact CE2-CD1 3.51Å; F5-L9 HydrophobicContact CE2-CG 4.35Å; F5-L9 HydrophobicContact CG-CD1 4.3Å; F5-L9 HydrophobicContact CZ-CD1 3.18Å; F5-L9 HydrophobicContact CZ-CG 4.4Å; F5-L9 WeakPolarHBondContact O-CB 3.34Å; F5-L9 PolarHBondContact O-N 2.96Å; F5-Y61 HydrophobicContact CE1-CD2 4.07Å; F5-Y61 HydrophobicContact CE1-CE2 4.22Å; F5-Y61 HydrophobicContact CZ-CD2 4.45Å; F5-V72 HydrophobicContact CE2-CG1 4.15Å; F5-V72 HydrophobicContact CZ-CG1 4.43Å; F5-K74 HydrophobicContact CD2-CB 4.11Å; F5-K74 HydrophobicContact CE2-CB 4.25Å; F5-K74 HydrophobicContact CG-CB 4.42Å; F5-I79 HydrophobicContact CD2-CD1 3.67Å; F5-I79 HydrophobicContact CD2-CG1 3.78Å; F5-I79 HydrophobicContact CE2-CD1 4.16Å; F5-I79 HydrophobicContact CE2-CG1 4.07Å; F5-I79 HydrophobicContact CE2-CG2 4.18Å; F5-Y108 HydrophobicContact CB-CD2 4.4Å; F5-Y108 HydrophobicContact CB-CE2 4.28Å
6	T	91.8	Very high	90.9	Very high	51 Å²	51	39.4 Å²	39.4	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-39.3	176.8	-50.4	0	0	0	0	111.8	D2 L9 S10	D2-T6 PolarHBondContact O-N 2.71Å; D2-T6 PolarHBondContact O-OG1 3.31Å; T6-L9 PolarHBondContact O-N 2.9Å; T6-S10 WeakPolarHBondContact O-CB 3.4Å; T6-S10 PolarHBondContact O-N 2.76Å
7	A	91.5	Very high	91	Very high	18 Å²	18	39.5 Å²	39.5	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.3	0	0	0	0	0	112.9	A3 R4 F5 S10 I11 K113	A3-A7 VanDerWaalsContact O-CB 3.31Å; A3-A7 WeakPolarHBondContact O-CB 3.32Å; A3-A7 PolarHBondContact O-N 2.88Å; R4-A7 PolarHBondContact O-N 2.88Å; F5-A7 VanDerWaalsContact C-N 3.32Å; F5-A7 PolarHBondContact O-N 3.32Å; A7-S10 WeakPolarHBondContact O-CB 3.38Å; A7-S10 PolarHBondContact O-N 3.25Å; A7-I11 PolarHBondContact O-N 3.19Å; A7-K113 HydrophobicContact CB-CG 4.14Å
8	A	94.1	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-43.5	176.3	0	0	0	0	0	111.8	R4 F5 S10 I11 W12 I79 W107	R4-A8 WeakPolarHBondContact O-CB 3.24Å; R4-A8 PolarHBondContact O-N 3.18Å; F5-A8 PolarHBondContact O-N 2.74Å; A8-S10 VanDerWaalsContact C-N 3.33Å; A8-S10 PolarHBondContact O-N 2.65Å; A8-I11 WeakPolarHBondContact O-CB 3.37Å; A8-I11 PolarHBondContact O-N 3.11Å; A8-W12 PolarHBondContact O-N 2.89Å; A8-I79 HydrophobicContact CB-CD1 4.2Å; A8-W107 HydrophobicContact CB-CB 3.94Å
9	L	94.2	Very high	91.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-39.9	174.1	-99.3	159.7	0	0	0	112.3	F5 T6 I11 W12 I13 Y61 F63 V72	F5-L9 HydrophobicContact CD1-CD1 4Å; F5-L9 HydrophobicContact CD2-CD1 4.06Å; F5-L9 HydrophobicContact CE1-CD1 3.44Å; F5-L9 VanDerWaalsContact CE1-CD1 3.44Å; F5-L9 HydrophobicContact CE2-CD1 3.51Å; F5-L9 HydrophobicContact CE2-CG 4.35Å; F5-L9 HydrophobicContact CG-CD1 4.3Å; F5-L9 HydrophobicContact CZ-CD1 3.18Å; F5-L9 HydrophobicContact CZ-CG 4.4Å; F5-L9 WeakPolarHBondContact O-CB 3.34Å; F5-L9 PolarHBondContact O-N 2.96Å; T6-L9 PolarHBondContact O-N 2.9Å; L9-I11 PolarHBondContact O-N 3.23Å; L9-W12 WeakPolarHBondContact O-CA 3.46Å; L9-W12 WeakPolarHBondContact O-CB 3.25Å; L9-W12 PolarHBondContact O-N 3.35Å; L9-I13 HydrophobicContact CB-CD1 4.43Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 3.2Å; L9-Y61 HydrophobicContact CD1-CD1 4.2Å; L9-Y61 HydrophobicContact CD1-CD2 3.82Å; L9-Y61 HydrophobicContact CD1-CE1 4.5Å; L9-Y61 HydrophobicContact CD1-CE2 4.17Å; L9-Y61 HydrophobicContact CD1-CG 3.85Å; L9-Y61 HydrophobicContact CD2-CD1 4.35Å; L9-Y61 HydrophobicContact CD2-CG 4.4Å; L9-F63 HydrophobicContact CD2-CE2 3.97Å; L9-F63 HydrophobicContact CD2-CZ 3.74Å; L9-V72 HydrophobicContact CD1-CG1 4.38Å; L9-V72 HydrophobicContact CD2-CB 4.19Å; L9-V72 HydrophobicContact CD2-CG1 4.06Å; L9-V72 HydrophobicContact CD2-CG2 4.47Å; L9-V72 HydrophobicContact CG-CG1 4.28Å
10	S	92.4	Very high	91.5	Very high	34 Å²	34	39 Å²	39	24%	0.238	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-35.2	176.8	-174.9	0	0	0	0	111.9	T6 A7 A8 I13 H14	T6-S10 WeakPolarHBondContact O-CB 3.4Å; T6-S10 PolarHBondContact O-N 2.76Å; A7-S10 WeakPolarHBondContact O-CB 3.38Å; A7-S10 PolarHBondContact O-N 3.25Å; A8-S10 VanDerWaalsContact C-N 3.33Å; A8-S10 PolarHBondContact O-N 2.65Å; S10-I13 PolarHBondContact O-N 3.05Å; S10-H14 PolarHBondContact O-CD2 2.88Å; S10-H14 PolarHBondContact O-N 3.13Å; S10-H14 PolarHBondContact OG-CD2 3.48Å; S10-H14 VanDerWaalsContact OG-CD2 3.27Å
11	I	93.7	Very high	91.6	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-45.8	173.7	-58.1	168.2	0	0	0	110.9	A7 A8 L9 I13 K15 V18 W107 A112 V114	A7-I11 PolarHBondContact O-N 3.19Å; A8-I11 WeakPolarHBondContact O-CB 3.37Å; A8-I11 PolarHBondContact O-N 3.11Å; L9-I11 PolarHBondContact O-N 3.23Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 2.9Å; I11-K15 HydrophobicContact CG2-CB 4.43Å; I11-K15 CarbonylContact O-C 3.5Å; I11-K15 WeakPolarHBondContact O-CA 3.46Å; I11-K15 WeakPolarHBondContact O-CB 3.34Å; I11-K15 PolarHBondContact O-N 3.16Å; I11-V18 HydrophobicContact CG2-CG2 3.7Å; I11-W107 HydrophobicContact CB-CD2 4.21Å; I11-W107 HydrophobicContact CB-CE3 3.84Å; I11-W107 HydrophobicContact CB-CH2 4.35Å; I11-W107 HydrophobicContact CB-CZ3 3.92Å; I11-W107 HydrophobicContact CD1-CB 3.97Å; I11-W107 HydrophobicContact CD1-CD2 3.8Å; I11-W107 HydrophobicContact CD1-CE3 4.16Å; I11-W107 HydrophobicContact CD1-CG 3.69Å; I11-W107 HydrophobicContact CG2-CD2 4.03Å; I11-W107 HydrophobicContact CG2-CE3 3.9Å; I11-W107 HydrophobicContact CG2-CH2 3.61Å; I11-W107 HydrophobicContact CG2-CZ2 3.72Å; I11-W107 HydrophobicContact CG2-CZ3 3.7Å; I11-A112 HydrophobicContact CD1-CB 3.57Å; I11-V114 VanDerWaalsContact CA-CG2 3.4Å; I11-V114 HydrophobicContact CB-CG2 3.99Å; I11-V114 HydrophobicContact CG1-CG2 3.5Å; I11-V114 VanDerWaalsContact CG1-CG2 3.5Å
12	W	95	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-39.3	176.3	173	-126.4	0	0	0	112.3	A8 L9 P16 V19 R38 F63 Y70 F91 W95 L100 L104 W107	A8-W12 PolarHBondContact O-N 2.89Å; L9-W12 WeakPolarHBondContact O-CA 3.46Å; L9-W12 WeakPolarHBondContact O-CB 3.25Å; L9-W12 PolarHBondContact O-N 3.35Å; W12-P16 HydrophobicContact CE3-CB 3.64Å; W12-P16 HydrophobicContact CH2-CB 4.06Å; W12-P16 HydrophobicContact CZ3-CB 3.35Å; W12-P16 WeakPolarHBondContact O-CD 3.45Å; W12-V19 HydrophobicContact CE3-CG1 3.6Å; W12-V19 HydrophobicContact CZ3-CG1 3.59Å; W12-R38 PolarHBondContact O-NH1 3.32Å; W12-R38 VanDerWaalsContact O-NH1 3.09Å; W12-F63 AromaticContact CD1-CZ 3.99Å; W12-Y70 AromaticContact NE1-CZ 3.98Å; W12-Y70 PolarHBondContact NE1-OH 2.89Å; W12-Y70 VanDerWaalsContact NE1-OH 3.11Å; W12-F91 AromaticContact CH2-CE1 3.82Å; W12-F91 HydrophobicContact CH2-CE1 3.82Å; W12-F91 HydrophobicContact CH2-CE2 4.29Å; W12-F91 AromaticContact CH2-CZ 3.65Å; W12-F91 HydrophobicContact CH2-CZ 3.65Å; W12-F91 HydrophobicContact CZ2-CE1 4.49Å; W12-F91 HydrophobicContact CZ2-CE2 4.23Å; W12-F91 HydrophobicContact CZ2-CZ 4.05Å; W12-W95 AromaticContact CH2-CH2 3.85Å; W12-W95 HydrophobicContact CH2-CH2 3.85Å; W12-W95 AromaticContact CH2-CZ3 3.82Å; W12-W95 HydrophobicContact CH2-CZ3 3.82Å; W12-W95 AromaticContact CZ3-CH2 3.85Å; W12-W95 HydrophobicContact CZ3-CH2 3.85Å; W12-W95 HydrophobicContact CZ3-CZ3 4.28Å; W12-L100 HydrophobicContact CB-CD1 4.32Å; W12-L100 HydrophobicContact CD2-CD1 3.61Å; W12-L100 HydrophobicContact CD2-CD2 3.96Å; W12-L100 HydrophobicContact CD2-CG 4.46Å; W12-L100 HydrophobicContact CE3-CD1 3.61Å; W12-L100 HydrophobicContact CE3-CD2 4.48Å; W12-L100 HydrophobicContact CG-CD1 3.94Å; W12-L100 HydrophobicContact CG-CD2 4.35Å; W12-L100 HydrophobicContact CH2-CD2 4.42Å; W12-L100 HydrophobicContact CZ2-CD2 3.89Å; W12-L100 HydrophobicContact CZ3-CD1 4.17Å; W12-L104 HydrophobicContact CB-CD2 4.2Å; W12-W107 HydrophobicContact CB-CZ3 4.4Å
13	I	94.2	Very high	93.4	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-51.5	-177.7	-67.3	163.8	0	0	0	111.3	L9 S10 I11 S26 V28 F36 Y61 F63	L9-I13 HydrophobicContact CB-CD1 4.43Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.34Å; L9-I13 PolarHBondContact O-N 3.2Å; S10-I13 PolarHBondContact O-N 3.05Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 2.9Å; I13-S26 WeakPolarHBondContact O-CB 3.25Å; I13-S26 PolarHBondContact O-OG 2.82Å; I13-V28 HydrophobicContact CG2-CG2 3.75Å; I13-F36 HydrophobicContact CD1-CE1 3.93Å; I13-F36 HydrophobicContact CD1-CE2 4.21Å; I13-F36 HydrophobicContact CD1-CZ 3.44Å; I13-F36 VanDerWaalsContact CD1-CZ 3.44Å; I13-F36 HydrophobicContact CG1-CE2 4.08Å; I13-F36 HydrophobicContact CG1-CZ 3.65Å; I13-F36 HydrophobicContact CG2-CD2 4.36Å; I13-F36 HydrophobicContact CG2-CE2 3.66Å; I13-F36 HydrophobicContact CG2-CZ 4.05Å; I13-Y61 HydrophobicContact CD1-CE1 4.49Å; I13-F63 HydrophobicContact CG1-CE1 4.15Å; I13-F63 HydrophobicContact CG1-CZ 4.24Å
14	H	91.8	Very high	93.7	Very high	49 Å²	49	34.3 Å²	34.3	23%	0.227	17%	0.17	C	C	.	.	H	α-helix	trans	-98.7	-19.2	-171.3	-56.9	-74	0	0	0	114	S10 P16	S10-H14 PolarHBondContact O-CD2 2.88Å; S10-H14 PolarHBondContact O-N 3.13Å; S10-H14 PolarHBondContact OG-CD2 3.48Å; S10-H14 VanDerWaalsContact OG-CD2 3.27Å; H14-P16 VanDerWaalsContact C-CD 3.43Å
15	K	91.9	Very high	93.9	Very high	37 Å²	37	28.3 Å²	28.3	16%	0.161	15%	0.148	C	C	.	.			trans	-133.3	46.8	-176.6	-62.3	-173.4	173.8	174.9	0	113.6	I11 H17 V18 V114 I116	I11-K15 HydrophobicContact CG2-CB 4.43Å; I11-K15 CarbonylContact O-C 3.5Å; I11-K15 WeakPolarHBondContact O-CA 3.46Å; I11-K15 WeakPolarHBondContact O-CB 3.34Å; I11-K15 PolarHBondContact O-N 3.16Å; K15-H17 PolarHBondContact O-N 3.31Å; K15-V18 HydrophobicContact CB-CG1 4.1Å; K15-V18 HydrophobicContact CB-CG2 4.29Å; K15-V18 WeakPolarHBondContact O-CG2 3.43Å; K15-V18 PolarHBondContact O-N 3.43Å; K15-V114 HydrophobicContact CD-CG1 4.25Å; K15-V114 HydrophobicContact CD-CG2 4.44Å; K15-I116 WeakPolarHBondContact CE-O 3.43Å; K15-I116 PolarHBondContact NZ-O 3.49Å
16	P	94.1	Very high	93.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-57.8	-26.1	-179.3	23.4	-33.5	0	0	0	113.8	W12 H14 V18 V19 H20 V23 S26	W12-P16 HydrophobicContact CE3-CB 3.64Å; W12-P16 HydrophobicContact CH2-CB 4.06Å; W12-P16 HydrophobicContact CZ3-CB 3.35Å; W12-P16 WeakPolarHBondContact O-CD 3.45Å; H14-P16 VanDerWaalsContact C-CD 3.43Å; P16-V18 PolarHBondContact O-N 3.37Å; P16-V18 VanDerWaalsContact O-N 3.11Å; P16-V19 WeakPolarHBondContact O-CG1 3.48Å; P16-V19 PolarHBondContact O-N 2.9Å; P16-H20 PolarHBondContact O-N 2.77Å; P16-V23 HydrophobicContact CB-CG1 4.04Å; P16-V23 HydrophobicContact CG-CG1 3.7Å; P16-S26 VanDerWaalsContact CG-CB 3.42Å
17	H	93	Very high	94	Very high	41 Å²	41	27.4 Å²	27.4	19%	0.19	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61.5	-15.5	175.4	65.2	-93.7	0	0	0	114.7	K15 V19 V23 F24	K15-H17 PolarHBondContact O-N 3.31Å; H17-V19 VanDerWaalsContact C-N 3.28Å; H17-V23 HydrophobicContact CB-CB 4.46Å; H17-V23 HydrophobicContact CB-CG1 4.42Å; H17-V23 WeakPolarHBondContact CB-O 3.44Å; H17-F24 WeakPolarHBondContact CB-O 3.44Å
18	V	92	Very high	94.1	Very high	74 Å²	74	28.5 Å²	28.5	45%	0.448	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-79.1	-13	175.2	-57.7	0	0	0	0	113.2	I11 K15 P16 W107	I11-V18 HydrophobicContact CG2-CG2 3.7Å; K15-V18 HydrophobicContact CB-CG1 4.1Å; K15-V18 HydrophobicContact CB-CG2 4.29Å; K15-V18 WeakPolarHBondContact O-CG2 3.43Å; K15-V18 PolarHBondContact O-N 3.43Å; P16-V18 PolarHBondContact O-N 3.37Å; P16-V18 VanDerWaalsContact O-N 3.11Å; V18-W107 HydrophobicContact CG2-CH2 3.89Å; V18-W107 HydrophobicContact CG2-CZ2 3.62Å
19	V	94.6	Very high	94	Very high	20 Å²	20	32.7 Å²	32.7	12%	0.121	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-36.2	177.4	57	0	0	0	0	112.1	W12 P16 H17 W95 V99 L100 K103 W107	W12-V19 HydrophobicContact CE3-CG1 3.6Å; W12-V19 HydrophobicContact CZ3-CG1 3.59Å; P16-V19 WeakPolarHBondContact O-CG1 3.48Å; P16-V19 PolarHBondContact O-N 2.9Å; H17-V19 VanDerWaalsContact C-N 3.28Å; V19-W95 HydrophobicContact CG1-CH2 4.2Å; V19-W95 HydrophobicContact CG2-CH2 4.12Å; V19-W95 HydrophobicContact CG2-CZ2 3.9Å; V19-V99 HydrophobicContact CG2-CG1 3.8Å; V19-L100 HydrophobicContact CG1-CD1 4.24Å; V19-K103 HydrophobicContact CB-CG 4.41Å; V19-K103 HydrophobicContact CG2-CB 3.99Å; V19-K103 HydrophobicContact CG2-CG 3.71Å; V19-W107 HydrophobicContact CB-CH2 3.95Å; V19-W107 HydrophobicContact CB-CZ2 4.35Å; V19-W107 HydrophobicContact CG1-CH2 3.95Å
20	H	95.8	Very high	94	Very high	15 Å²	15	35.6 Å²	35.6	7%	0.069	20%	0.195	C	C	.	.			trans	-104.2	107	177	-160.7	-63.6	0	0	0	110.6	P16 D22 V23 F90 F91 W95	P16-H20 PolarHBondContact O-N 2.77Å; H20-D22 IonicContact CE1-OD2 2.67Å; H20-D22 PolarHBondContact ND1-N 3Å; H20-D22 PolarHBondContact O-N 3.34Å; H20-D22 VanDerWaalsContact O-N 3.13Å; H20-V23 HydrophobicContact CB-CB 4.13Å; H20-V23 HydrophobicContact CB-CG2 3.61Å; H20-V23 PolarHBondContact O-N 2.97Å; H20-F90 AromaticContact CE1-CE1 3.83Å; H20-F90 AromaticContact CE1-CZ 3.51Å; H20-F90 AromaticContact ND1-CZ 3.81Å; H20-F91 AromaticContact CD2-CD1 3.91Å; H20-F91 AromaticContact CD2-CE1 3.72Å; H20-W95 HydrophobicContact CB-CH2 3.78Å; H20-W95 HydrophobicContact CB-CZ2 3.56Å; H20-W95 AromaticContact CD2-CD2 3.82Å; H20-W95 AromaticContact CD2-CE2 3.38Å; H20-W95 AromaticContact CD2-CH2 3.58Å; H20-W95 AromaticContact CD2-CZ2 3.28Å; H20-W95 WeakPolarHBondContact CD2-CZ2 3.49Å; H20-W95 AromaticContact CD2-CZ3 3.94Å; H20-W95 AromaticContact CD2-NE1 3.93Å; H20-W95 AromaticContact CG-CZ2 3.73Å
21	K	94.7	Very high	94.1	Very high	160 Å²	160	39.8 Å²	39.8	70%	0.696	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.5	-175.2	69.4	179.5	-177.1	177.7	0	113.8	K43	K21-K43 WeakPolarHBondContact O-CE 3.46Å; K21-K43 PolarHBondContact O-NZ 3.35Å
22	D	96.6	Very high	94.1	Very high	43 Å²	43	42.9 Å²	42.9	23%	0.23	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	0.2	-178.5	-54.4	-52.2	0	0	0	113.3	H20 K43 H45 T46 F90	H20-D22 IonicContact CE1-OD2 2.67Å; H20-D22 PolarHBondContact ND1-N 3Å; H20-D22 PolarHBondContact O-N 3.34Å; H20-D22 VanDerWaalsContact O-N 3.13Å; D22-K43 PolarHBondContact O-N 3.13Å; D22-H45 IonicContact OD1-CE1 2.89Å; D22-H45 PolarHBondContact OD1-CE1 3.25Å; D22-T46 HydrophobicContact CB-CG2 3.77Å; D22-F90 HydrophobicContact CB-CE2 4.21Å; D22-F90 HydrophobicContact CB-CZ 4.05Å
23	V	96.2	Very high	93.9	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.5	167.7	177.4	0	0	0	0	108.7	P16 H17 H20 A25 V40 F90 F91	P16-V23 HydrophobicContact CB-CG1 4.04Å; P16-V23 HydrophobicContact CG-CG1 3.7Å; H17-V23 HydrophobicContact CB-CB 4.46Å; H17-V23 HydrophobicContact CB-CG1 4.42Å; H17-V23 WeakPolarHBondContact CB-O 3.44Å; H20-V23 HydrophobicContact CB-CB 4.13Å; H20-V23 HydrophobicContact CB-CG2 3.61Å; H20-V23 PolarHBondContact O-N 2.97Å; V23-A25 WeakPolarHBondContact CG1-O 3.41Å; V23-V40 HydrophobicContact CG1-CG1 4.14Å; V23-V40 HydrophobicContact CG2-CG1 4.25Å; V23-F90 HydrophobicContact CG2-CE1 3.44Å; V23-F90 VanDerWaalsContact CG2-CE1 3.44Å; V23-F90 HydrophobicContact CG2-CZ 3.87Å; V23-F91 HydrophobicContact CG2-CE1 4.19Å; V23-F91 HydrophobicContact CG2-CZ 4.33Å
24	F	95.8	Very high	94	Very high	14 Å²	14	57.1 Å²	57.1	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-57.5	170.9	180	-91.8	0	0	0	110.4	H17 Y41 K43 L119 Y127 Q128 R327	H17-F24 WeakPolarHBondContact CB-O 3.44Å; F24-Y41 WeakPolarHBondContact CA-O 3.28Å; F24-Y41 VanDerWaalsContact CB-O 3.25Å; F24-Y41 WeakPolarHBondContact CB-O 3.44Å; F24-Y41 PolarHBondContact N-O 3.4Å; F24-K43 HydrophobicContact CB-CG 4.03Å; F24-L119 HydrophobicContact CE1-CD1 3.84Å; F24-L119 HydrophobicContact CZ-CD1 4Å; F24-Y127 HydrophobicContact CE1-CD1 4.22Å; F24-Y127 AromaticContact CZ-CD1 3.58Å; F24-Y127 HydrophobicContact CZ-CD1 3.58Å; F24-Y127 AromaticContact CZ-CE1 3.91Å; F24-Y127 HydrophobicContact CZ-CE1 3.91Å; F24-Q128 HydrophobicContact CD1-CB 4.05Å; F24-Q128 HydrophobicContact CD1-CG 4.32Å; F24-Q128 HydrophobicContact CD2-CB 4.11Å; F24-Q128 HydrophobicContact CD2-CG 3.61Å; F24-Q128 VanDerWaalsContact CD2-OE1 3.26Å; F24-Q128 HydrophobicContact CE1-CB 3.9Å; F24-Q128 HydrophobicContact CE1-CG 4.47Å; F24-Q128 HydrophobicContact CE2-CB 3.96Å; F24-Q128 HydrophobicContact CE2-CG 3.77Å; F24-Q128 HydrophobicContact CG-CB 4.2Å; F24-Q128 HydrophobicContact CG-CG 3.96Å; F24-Q128 HydrophobicContact CZ-CB 3.91Å; F24-Q128 HydrophobicContact CZ-CG 4.25Å; F24-R327 PolarHBondContact O-NH1 3.36Å; F24-R327 PolarHBondContact O-NH2 3.47Å
25	A	95.1	Very high	94.2	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	178.1	-176.9	0	0	0	0	0	111.7	V23 Y41 C124	V23-A25 WeakPolarHBondContact CG1-O 3.41Å; A25-Y41 HydrophobicContact CB-CD2 4.21Å; A25-Y41 PolarHBondContact N-O 2.96Å; A25-Y41 PolarHBondContact O-N 3.22Å; A25-C124 HydrophobicContact CB-CB 4.1Å
26	S	94.4	Very high	94.4	Very high	9 Å²	9	55.2 Å²	55.2	6%	0.063	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.5	166.9	163	0	0	0	0	108.8	I13 P16 V39	I13-S26 WeakPolarHBondContact O-CB 3.25Å; I13-S26 PolarHBondContact O-OG 2.82Å; P16-S26 VanDerWaalsContact CG-CB 3.42Å; S26-V39 CarbonylContact C-O 3.57Å; S26-V39 WeakPolarHBondContact CA-O 3.45Å
27	S	93.4	Very high	94.5	Very high	29 Å²	29	56.9 Å²	56.9	20%	0.203	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131	175.7	62.7	0	0	0	0	110.6	R38 V39 Y41	S27-R38 CarbonylContact O-C 3.5Å; S27-R38 VanDerWaalsContact O-CA 3.28Å; S27-R38 WeakPolarHBondContact O-CA 3.13Å; S27-V39 PolarHBondContact N-O 3.19Å; S27-V39 PolarHBondContact O-N 3.13Å; S27-Y41 VanDerWaalsContact OG-CE2 3.29Å; S27-Y41 WeakPolarHBondContact OG-CE2 3.3Å; S27-Y41 PolarHBondContact OG-OH 3.45Å
28	V	93.2	Very high	94.7	Very high	40 Å²	40	54.9 Å²	54.9	24%	0.242	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.9	168.9	178.2	0	0	0	0	107.8	I13 S30 E31 F36 V37 R38	I13-V28 HydrophobicContact CG2-CG2 3.75Å; V28-S30 WeakPolarHBondContact CG1-O 3.4Å; V28-E31 HydrophobicContact CG1-CB 4.09Å; V28-F36 HydrophobicContact CG1-CB 4.1Å; V28-F36 HydrophobicContact CG1-CD2 4.39Å; V28-F36 HydrophobicContact CG2-CD2 4.18Å; V28-V37 WeakPolarHBondContact CA-O 3.25Å; V28-R38 HydrophobicContact CG2-CB 4.37Å
29	V	92.8	Very high	94.9	Very high	89 Å²	89	52.3 Å²	52.3	54%	0.539	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-22.3	-174.3	-64.9	0	0	0	0	113	V37 V39	V29-V37 HydrophobicContact CG2-CB 3.94Å; V29-V37 HydrophobicContact CG2-CG1 3.75Å; V29-V37 WeakPolarHBondContact CG2-O 3.08Å; V29-V37 PolarHBondContact N-O 3.06Å; V29-V39 HydrophobicContact CG1-CG2 3.79Å; V29-V39 HydrophobicContact CG2-CG2 4.25Å
30	S	93.3	Very high	95	Very high	62 Å²	62	51.3 Å²	51.3	43%	0.434	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.5	169.6	66.1	0	0	0	0	109.7	V28 F36 V37	V28-S30 WeakPolarHBondContact CG1-O 3.4Å; S30-F36 CarbonylContact O-C 3.53Å; S30-F36 VanDerWaalsContact O-CA 3.24Å; S30-F36 WeakPolarHBondContact O-CA 3.43Å; S30-F36 WeakPolarHBondContact O-CB 3.48Å; S30-V37 PolarHBondContact O-N 3.05Å; S30-V37 WeakPolarHBondContact OG-CB 3.06Å; S30-V37 WeakPolarHBondContact OG-CG2 3.3Å
31	E	94.3	Very high	95.1	Very high	121 Å²	121	51.5 Å²	51.5	57%	0.565	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	132	-178.2	-175.9	165.7	-165.9	0	0	110	V28 F36 K57	V28-E31 HydrophobicContact CG1-CB 4.09Å; E31-F36 HydrophobicContact CB-CB 4.19Å; E31-F36 HydrophobicContact CG-CB 4.12Å; E31-K57 VanDerWaalsContact CG-NZ 3.27Å; E31-K57 IonicContact OE1-NZ 2.8Å; E31-K57 PolarHBondContact OE1-NZ 2.92Å
32	T	94.4	Very high	95.2	Very high	79 Å²	79	43.9 Å²	43.9	49%	0.485	25%	0.245	S	C	.	.			trans	-121.8	177.2	168.6	68.8	0	0	0	0	109.2	E34 S35 K57	T32-E34 PolarHBondContact O-N 3.26Å; T32-E34 PolarHBondContact OG1-N 3.31Å; T32-S35 PolarHBondContact N-O 3.25Å; T32-S35 PolarHBondContact OG1-N 2.84Å; T32-S35 VanDerWaalsContact OG1-N 3.1Å; T32-S35 PolarHBondContact OG1-O 2.99Å; T32-S35 PolarHBondContact OG1-OG 2.73Å; T32-S35 VanDerWaalsContact OG1-OG 3.06Å; T32-K57 PolarHBondContact O-NZ 3.46Å
33	D	91.2	Very high	95.2	Very high	159 Å²	159	44.8 Å²	44.8	85%	0.85	25%	0.247	S	C	*	.	S	Bend	trans	-63.6	-31.2	175.9	-68.5	-26.1	0	0	0	112.3	K57	D33-K57 WeakPolarHBondContact O-CD 3.45Å
34	E	94.6	Very high	95.2	Very high	153 Å²	153	46.5 Å²	46.5	72%	0.715	26%	0.255	S	S	*	.	S	Bend	trans	-100.2	-17.7	-175.1	-62.2	-175.4	173.4	0	0	114.1	T32 K57	T32-E34 PolarHBondContact O-N 3.26Å; T32-E34 PolarHBondContact OG1-N 3.31Å; E34-K57 PolarHBondContact O-N 3.07Å
35	S	96	Very high	95.2	Very high	42 Å²	42	52 Å²	52	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	166.7	-174.2	69.6	0	0	0	0	112.9	T32 C55	T32-S35 PolarHBondContact N-O 3.25Å; T32-S35 PolarHBondContact OG1-N 2.84Å; T32-S35 VanDerWaalsContact OG1-N 3.1Å; T32-S35 PolarHBondContact OG1-O 2.99Å; T32-S35 PolarHBondContact OG1-OG 2.73Å; T32-S35 VanDerWaalsContact OG1-OG 3.06Å; S35-C55 CarbonylContact C-O 3.5Å; S35-C55 WeakPolarHBondContact CA-O 3.41Å; S35-C55 WeakPolarHBondContact CB-O 3.45Å
36	F	96.6	Very high	95.2	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.6	167.8	64	-82.9	0	0	0	110.3	I13 V28 S30 E31 R38 C55 K57 Y61 F63	I13-F36 HydrophobicContact CD1-CE1 3.93Å; I13-F36 HydrophobicContact CD1-CE2 4.21Å; I13-F36 HydrophobicContact CD1-CZ 3.44Å; I13-F36 VanDerWaalsContact CD1-CZ 3.44Å; I13-F36 HydrophobicContact CG1-CE2 4.08Å; I13-F36 HydrophobicContact CG1-CZ 3.65Å; I13-F36 HydrophobicContact CG2-CD2 4.36Å; I13-F36 HydrophobicContact CG2-CE2 3.66Å; I13-F36 HydrophobicContact CG2-CZ 4.05Å; V28-F36 HydrophobicContact CG1-CB 4.1Å; V28-F36 HydrophobicContact CG1-CD2 4.39Å; V28-F36 HydrophobicContact CG2-CD2 4.18Å; S30-F36 CarbonylContact O-C 3.53Å; S30-F36 VanDerWaalsContact O-CA 3.24Å; S30-F36 WeakPolarHBondContact O-CA 3.43Å; S30-F36 WeakPolarHBondContact O-CB 3.48Å; E31-F36 HydrophobicContact CB-CB 4.19Å; E31-F36 HydrophobicContact CG-CB 4.12Å; F36-R38 HydrophobicContact CD2-CB 4.31Å; F36-R38 HydrophobicContact CE2-CB 4.28Å; F36-R38 HydrophobicContact CE2-CG 4.35Å; F36-C55 HydrophobicContact CD1-CB 3.65Å; F36-C55 HydrophobicContact CD2-CB 3.77Å; F36-C55 HydrophobicContact CE1-CB 3.29Å; F36-C55 HydrophobicContact CE2-CB 3.39Å; F36-C55 WeakPolarHBondContact CE2-SG 3.24Å; F36-C55 HydrophobicContact CG-CB 3.9Å; F36-C55 HydrophobicContact CZ-CB 3.14Å; F36-C55 PolarHBondContact N-O 3.34Å; F36-C55 WeakPolarHBondContact O-CA 3.31Å; F36-C55 WeakPolarHBondContact O-CB 3.24Å; F36-C55 PolarHBondContact O-N 3.14Å; F36-K57 HydrophobicContact CD1-CD 4.29Å; F36-K57 VanDerWaalsContact CD1-CE 3.49Å; F36-K57 HydrophobicContact CD1-CG 3.9Å; F36-K57 HydrophobicContact CE1-CG 4.16Å; F36-Y61 HydrophobicContact CE1-CD1 4.16Å; F36-Y61 HydrophobicContact CE1-CE1 4.14Å; F36-F63 AromaticContact CZ-CE1 3.93Å; F36-F63 HydrophobicContact CZ-CE1 3.93Å; F36-F63 HydrophobicContact CZ-CZ 4.38Å
37	V	97.4	Very high	95.2	Very high	34 Å²	34	56.6 Å²	56.6	21%	0.206	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.7	171.9	-177.9	0	0	0	0	107.8	V28 V29 S30 T52 V54	V28-V37 WeakPolarHBondContact CA-O 3.25Å; V29-V37 HydrophobicContact CG2-CB 3.94Å; V29-V37 HydrophobicContact CG2-CG1 3.75Å; V29-V37 WeakPolarHBondContact CG2-O 3.08Å; V29-V37 PolarHBondContact N-O 3.06Å; S30-V37 PolarHBondContact O-N 3.05Å; S30-V37 WeakPolarHBondContact OG-CB 3.06Å; S30-V37 WeakPolarHBondContact OG-CG2 3.3Å; V37-T52 HydrophobicContact CG1-CG2 3.22Å; V37-V54 HydrophobicContact CG2-CG2 4.49Å
38	R	95.8	Very high	95.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146	173.3	74.5	173	-173	-173.9	-3.6	111.4	W12 S27 V28 F36 T52 E53 Y70	W12-R38 PolarHBondContact O-NH1 3.32Å; W12-R38 VanDerWaalsContact O-NH1 3.09Å; S27-R38 CarbonylContact O-C 3.5Å; S27-R38 VanDerWaalsContact O-CA 3.28Å; S27-R38 WeakPolarHBondContact O-CA 3.13Å; V28-R38 HydrophobicContact CG2-CB 4.37Å; F36-R38 HydrophobicContact CD2-CB 4.31Å; F36-R38 HydrophobicContact CE2-CB 4.28Å; F36-R38 HydrophobicContact CE2-CG 4.35Å; R38-T52 CarbonylContact O-C 3.5Å; R38-T52 WeakPolarHBondContact O-CA 3.08Å; R38-E53 HydrophobicContact CG-CB 3.9Å; R38-E53 IonicContact CZ-OE2 2.65Å; R38-E53 PolarHBondContact N-O 2.88Å; R38-E53 IonicContact NE-OE2 3.13Å; R38-E53 PolarHBondContact NE-OE2 3.38Å; R38-E53 VanDerWaalsContact NH2-CD 3.25Å; R38-E53 IonicContact NH2-OE1 3.65Å; R38-E53 PolarHBondContact NH2-OE1 2.94Å; R38-E53 VanDerWaalsContact NH2-OE1 3.13Å; R38-E53 IonicContact NH2-OE2 2.7Å; R38-E53 PolarHBondContact NH2-OE2 2.71Å; R38-E53 PolarHBondContact O-N 3.46Å; R38-Y70 PolarHBondContact NH2-OH 2.91Å
39	V	96.8	Very high	95.2	Very high	19 Å²	19	60.8 Å²	60.8	12%	0.115	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.7	168.9	-177.3	0	0	0	0	107.8	S26 S27 V29 Y41 E50 F51	S26-V39 CarbonylContact C-O 3.57Å; S26-V39 WeakPolarHBondContact CA-O 3.45Å; S27-V39 PolarHBondContact N-O 3.19Å; S27-V39 PolarHBondContact O-N 3.13Å; V29-V39 HydrophobicContact CG1-CG2 3.79Å; V29-V39 HydrophobicContact CG2-CG2 4.25Å; V39-Y41 HydrophobicContact CB-CE2 4.05Å; V39-Y41 HydrophobicContact CG1-CD1 4.42Å; V39-Y41 HydrophobicContact CG1-CD2 4.48Å; V39-Y41 HydrophobicContact CG1-CE1 3.84Å; V39-Y41 HydrophobicContact CG1-CE2 3.91Å; V39-Y41 WeakPolarHBondContact O-CE2 3.46Å; V39-E50 HydrophobicContact CG1-CB 3.95Å; V39-E50 HydrophobicContact CG1-CG 4.26Å; V39-F51 WeakPolarHBondContact CA-O 3.38Å
40	V	96.9	Very high	95.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.2	173.8	-179.9	0	0	0	0	108.4	V23 P42 E50 F51 E53 F91	V23-V40 HydrophobicContact CG1-CG1 4.14Å; V23-V40 HydrophobicContact CG2-CG1 4.25Å; V40-P42 WeakPolarHBondContact O-CD 3.21Å; V40-E50 VanDerWaalsContact O-CA 3.24Å; V40-E50 WeakPolarHBondContact O-CA 3.28Å; V40-E50 WeakPolarHBondContact O-CB 3.23Å; V40-F51 HydrophobicContact CB-CD2 4.33Å; V40-F51 HydrophobicContact CB-CE1 4.12Å; V40-F51 HydrophobicContact CB-CE2 3.85Å; V40-F51 HydrophobicContact CB-CZ 3.73Å; V40-F51 HydrophobicContact CG1-CE1 4.06Å; V40-F51 HydrophobicContact CG1-CE2 4.35Å; V40-F51 HydrophobicContact CG1-CZ 3.75Å; V40-F51 HydrophobicContact CG2-CE2 4.02Å; V40-F51 HydrophobicContact CG2-CZ 4.24Å; V40-F51 PolarHBondContact N-O 2.74Å; V40-F51 PolarHBondContact O-N 3.16Å; V40-F51 VanDerWaalsContact O-N 3.15Å; V40-E53 VanDerWaalsContact CG2-OE2 3.24Å; V40-E53 WeakPolarHBondContact CG2-OE2 3.33Å; V40-F91 HydrophobicContact CG1-CZ 4.15Å
41	Y	97	Very high	95.5	Very high	19 Å²	19	58.5 Å²	58.5	8%	0.075	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	102.8	178.4	-55.1	-91.9	0	0	0	109	F24 A25 S27 V39 E50 C124 R125	F24-Y41 WeakPolarHBondContact CA-O 3.28Å; F24-Y41 VanDerWaalsContact CB-O 3.25Å; F24-Y41 WeakPolarHBondContact CB-O 3.44Å; F24-Y41 PolarHBondContact N-O 3.4Å; A25-Y41 HydrophobicContact CB-CD2 4.21Å; A25-Y41 PolarHBondContact N-O 2.96Å; A25-Y41 PolarHBondContact O-N 3.22Å; S27-Y41 VanDerWaalsContact OG-CE2 3.29Å; S27-Y41 WeakPolarHBondContact OG-CE2 3.3Å; S27-Y41 PolarHBondContact OG-OH 3.45Å; V39-Y41 HydrophobicContact CB-CE2 4.05Å; V39-Y41 HydrophobicContact CG1-CD1 4.42Å; V39-Y41 HydrophobicContact CG1-CD2 4.48Å; V39-Y41 HydrophobicContact CG1-CE1 3.84Å; V39-Y41 HydrophobicContact CG1-CE2 3.91Å; V39-Y41 WeakPolarHBondContact O-CE2 3.46Å; Y41-E50 HydrophobicContact CD1-CB 3.8Å; Y41-E50 HydrophobicContact CD1-CG 4.37Å; Y41-E50 HydrophobicContact CE1-CB 4.19Å; Y41-E50 HydrophobicContact CE1-CG 4.39Å; Y41-E50 HydrophobicContact CG-CB 4.47Å; Y41-C124 HydrophobicContact CD1-CB 4.26Å; Y41-C124 HydrophobicContact CD2-CB 3.73Å; Y41-C124 HydrophobicContact CE1-CB 4.17Å; Y41-C124 HydrophobicContact CE2-CB 3.64Å; Y41-C124 HydrophobicContact CG-CB 4.05Å; Y41-R125 HydrophobicContact CD1-CB 3.98Å; Y41-R125 HydrophobicContact CE1-CB 3.87Å
42	P	97.3	Very high	95.7	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	159.6	166.5	-24.5	36.2	0	0	0	112	V40 I48 F51 F90 Q128	V40-P42 WeakPolarHBondContact O-CD 3.21Å; P42-I48 HydrophobicContact CB-CB 4.2Å; P42-I48 HydrophobicContact CB-CG2 4.47Å; P42-I48 HydrophobicContact CG-CB 4.19Å; P42-I48 HydrophobicContact CG-CG2 3.91Å; P42-F51 HydrophobicContact CG-CD1 4.29Å; P42-F51 HydrophobicContact CG-CE1 3.95Å; P42-F90 HydrophobicContact CB-CD2 4.46Å; P42-F90 HydrophobicContact CB-CE2 3.96Å; P42-F90 HydrophobicContact CB-CZ 4.08Å; P42-F90 HydrophobicContact CG-CD2 4.35Å; P42-F90 HydrophobicContact CG-CE1 4.46Å; P42-F90 HydrophobicContact CG-CE2 4.25Å; P42-F90 HydrophobicContact CG-CG 4.44Å; P42-F90 HydrophobicContact CG-CZ 4.29Å; P42-Q128 PolarHBondContact O-NE2 2.72Å
43	K	96.9	Very high	95.8	Very high	62 Å²	62	52.3 Å²	52.3	27%	0.27	29%	0.294	S	S	.	.			trans	-69.2	142.2	173.2	-75.9	-176.7	177.3	170.5	0	111.1	K21 D22 F24 H45 T46	K21-K43 WeakPolarHBondContact O-CE 3.46Å; K21-K43 PolarHBondContact O-NZ 3.35Å; D22-K43 PolarHBondContact O-N 3.13Å; F24-K43 HydrophobicContact CB-CG 4.03Å; K43-H45 WeakPolarHBondContact CB-NE2 3.22Å; K43-H45 WeakPolarHBondContact CD-NE2 3.44Å; K43-H45 PolarHBondContact O-N 3.22Å; K43-H45 VanDerWaalsContact O-N 3.08Å; K43-T46 HydrophobicContact CB-CG2 4.26Å; K43-T46 WeakPolarHBondContact O-CB 3.41Å; K43-T46 WeakPolarHBondContact O-CG2 3.45Å; K43-T46 PolarHBondContact O-N 3.19Å; K43-T46 PolarHBondContact O-OG1 3.04Å
44	L	96.2	Very high	96.1	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.188	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-53.5	-36.9	-177.4	-64.3	174.8	0	0	0	113.7	T46 G47 Q128 L129 E132	L44-T46 PolarHBondContact O-N 2.95Å; L44-T46 VanDerWaalsContact O-N 3.13Å; L44-G47 PolarHBondContact O-N 3.18Å; L44-G47 VanDerWaalsContact O-N 3.13Å; L44-Q128 HydrophobicContact CD1-CG 3.78Å; L44-Q128 HydrophobicContact CD2-CG 4.4Å; L44-Q128 HydrophobicContact CG-CG 3.73Å; L44-L129 HydrophobicContact CD1-CD2 3.88Å; L44-L129 HydrophobicContact CD2-CD2 3.85Å; L44-E132 HydrophobicContact CD1-CB 4.17Å; L44-E132 WeakPolarHBondContact CD1-OE2 3.38Å
45	H	94.9	Very high	96.3	Very high	129 Å²	129	41.4 Å²	41.4	60%	0.597	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-66.6	-11.2	179.2	70.9	68.4	0	0	0	114.7	D22 K43 G47	D22-H45 IonicContact OD1-CE1 2.89Å; D22-H45 PolarHBondContact OD1-CE1 3.25Å; K43-H45 WeakPolarHBondContact CB-NE2 3.22Å; K43-H45 WeakPolarHBondContact CD-NE2 3.44Å; K43-H45 PolarHBondContact O-N 3.22Å; K43-H45 VanDerWaalsContact O-N 3.08Å; H45-G47 VanDerWaalsContact C-N 3.29Å
46	T	95.2	Very high	96.3	Very high	39 Å²	39	41.9 Å²	41.9	24%	0.239	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-78.4	-18.4	175.6	68.5	0	0	0	0	111.8	D22 K43 L44 I48 F90	D22-T46 HydrophobicContact CB-CG2 3.77Å; K43-T46 HydrophobicContact CB-CG2 4.26Å; K43-T46 WeakPolarHBondContact O-CB 3.41Å; K43-T46 WeakPolarHBondContact O-CG2 3.45Å; K43-T46 PolarHBondContact O-N 3.19Å; K43-T46 PolarHBondContact O-OG1 3.04Å; L44-T46 PolarHBondContact O-N 2.95Å; L44-T46 VanDerWaalsContact O-N 3.13Å; T46-I48 PolarHBondContact O-N 3.2Å; T46-I48 PolarHBondContact OG1-N 2.91Å; T46-F90 HydrophobicContact CG2-CE2 4.31Å
47	G	94.4	Very high	96.2	Very high	73 Å²	73	43.9 Å²	43.9	75%	0.753	26%	0.256	S	S	*	.			trans	70	7.4	-172.4	0	0	0	0	0	114.2	L44 H45	L44-G47 PolarHBondContact O-N 3.18Å; L44-G47 VanDerWaalsContact O-N 3.13Å; H45-G47 VanDerWaalsContact C-N 3.29Å
48	I	94.1	Very high	95.9	Very high	72 Å²	72	43.2 Å²	43.2	37%	0.369	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-100	128.7	-176.1	-61	169.5	0	0	0	109.4	P42 T46 F90	P42-I48 HydrophobicContact CB-CB 4.2Å; P42-I48 HydrophobicContact CB-CG2 4.47Å; P42-I48 HydrophobicContact CG-CB 4.19Å; P42-I48 HydrophobicContact CG-CG2 3.91Å; T46-I48 PolarHBondContact O-N 3.2Å; T46-I48 PolarHBondContact OG1-N 2.91Å; I48-F90 HydrophobicContact CD1-CB 4.46Å; I48-F90 HydrophobicContact CD1-CD2 3.5Å; I48-F90 VanDerWaalsContact CD1-CD2 3.5Å; I48-F90 HydrophobicContact CD1-CE2 4.22Å; I48-F90 HydrophobicContact CD1-CG 4.43Å; I48-F90 HydrophobicContact CG2-CB 4.43Å; I48-F90 HydrophobicContact CG2-CD2 4.36Å
49	S	93.8	Very high	95.5	Very high	85 Å²	85	48.3 Å²	48.3	59%	0.594	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-68.1	156.6	175.8	-59.9	0	0	0	0	111.9
50	E	95.8	Very high	95.4	Very high	78 Å²	78	49.4 Å²	49.4	36%	0.364	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-57.1	147	168.1	60.3	-85.9	-163.9	0	0	111.6	V39 V40 Y41 R125	V39-E50 HydrophobicContact CG1-CB 3.95Å; V39-E50 HydrophobicContact CG1-CG 4.26Å; V40-E50 VanDerWaalsContact O-CA 3.24Å; V40-E50 WeakPolarHBondContact O-CA 3.28Å; V40-E50 WeakPolarHBondContact O-CB 3.23Å; Y41-E50 HydrophobicContact CD1-CB 3.8Å; Y41-E50 HydrophobicContact CD1-CG 4.37Å; Y41-E50 HydrophobicContact CE1-CB 4.19Å; Y41-E50 HydrophobicContact CE1-CG 4.39Å; Y41-E50 HydrophobicContact CG-CB 4.47Å; E50-R125 WeakPolarHBondContact OE2-CD 3.39Å; E50-R125 IonicContact OE2-CZ 3.1Å; E50-R125 IonicContact OE2-NE 3.5Å; E50-R125 IonicContact OE2-NH1 3.26Å; E50-R125 PolarHBondContact OE2-NH1 3.12Å
51	F	96.5	Very high	95.4	Very high	25 Å²	25	50 Å²	50	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.6	-180	61.4	-92	0	0	0	110.8	V39 V40 P42 E53 F90 F91	V39-F51 WeakPolarHBondContact CA-O 3.38Å; V40-F51 HydrophobicContact CB-CD2 4.33Å; V40-F51 HydrophobicContact CB-CE1 4.12Å; V40-F51 HydrophobicContact CB-CE2 3.85Å; V40-F51 HydrophobicContact CB-CZ 3.73Å; V40-F51 HydrophobicContact CG1-CE1 4.06Å; V40-F51 HydrophobicContact CG1-CE2 4.35Å; V40-F51 HydrophobicContact CG1-CZ 3.75Å; V40-F51 HydrophobicContact CG2-CE2 4.02Å; V40-F51 HydrophobicContact CG2-CZ 4.24Å; V40-F51 PolarHBondContact N-O 2.74Å; V40-F51 PolarHBondContact O-N 3.16Å; V40-F51 VanDerWaalsContact O-N 3.15Å; P42-F51 HydrophobicContact CG-CD1 4.29Å; P42-F51 HydrophobicContact CG-CE1 3.95Å; F51-E53 HydrophobicContact CE2-CG 4.42Å; F51-F90 HydrophobicContact CE1-CB 3.78Å; F51-F90 AromaticContact CE1-CD1 3.75Å; F51-F90 HydrophobicContact CE1-CD1 3.75Å; F51-F90 AromaticContact CE1-CG 3.95Å; F51-F90 HydrophobicContact CE1-CG 3.95Å; F51-F90 HydrophobicContact CZ-CB 4.13Å; F51-F90 AromaticContact CZ-CD1 3.81Å; F51-F90 HydrophobicContact CZ-CD1 3.81Å; F51-F90 HydrophobicContact CZ-CG 4.33Å; F51-F91 HydrophobicContact CE2-CD2 4.28Å; F51-F91 AromaticContact CE2-CE2 3.92Å; F51-F91 HydrophobicContact CE2-CE2 3.92Å; F51-F91 HydrophobicContact CZ-CD2 4.06Å; F51-F91 AromaticContact CZ-CE2 3.65Å; F51-F91 HydrophobicContact CZ-CE2 3.65Å; F51-F91 HydrophobicContact CZ-CZ 4.15Å
52	T	97.5	Very high	95.4	Very high	69 Å²	69	53.2 Å²	53.2	42%	0.423	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.2	-175.8	-57.5	0	0	0	0	111	V37 R38	V37-T52 HydrophobicContact CG1-CG2 3.22Å; R38-T52 CarbonylContact O-C 3.5Å; R38-T52 WeakPolarHBondContact O-CA 3.08Å
53	E	97.6	Very high	95.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.6	165.3	-82.1	168.5	115.1	0	0	110.1	R38 V40 F51 S64 Y70	R38-E53 HydrophobicContact CG-CB 3.9Å; R38-E53 IonicContact CZ-OE2 2.65Å; R38-E53 PolarHBondContact N-O 2.88Å; R38-E53 IonicContact NE-OE2 3.13Å; R38-E53 PolarHBondContact NE-OE2 3.38Å; R38-E53 VanDerWaalsContact NH2-CD 3.25Å; R38-E53 IonicContact NH2-OE1 3.65Å; R38-E53 PolarHBondContact NH2-OE1 2.94Å; R38-E53 VanDerWaalsContact NH2-OE1 3.13Å; R38-E53 IonicContact NH2-OE2 2.7Å; R38-E53 PolarHBondContact NH2-OE2 2.71Å; R38-E53 PolarHBondContact O-N 3.46Å; V40-E53 VanDerWaalsContact CG2-OE2 3.24Å; V40-E53 WeakPolarHBondContact CG2-OE2 3.33Å; F51-E53 HydrophobicContact CE2-CG 4.42Å; E53-S64 CarbonylContact C-O 3.55Å; E53-S64 VanDerWaalsContact CA-O 3.25Å; E53-S64 WeakPolarHBondContact CA-O 3.09Å; E53-Y70 VanDerWaalsContact OE1-CE1 3.24Å; E53-Y70 WeakPolarHBondContact OE1-CE1 3.27Å; E53-Y70 PolarHBondContact OE1-OH 2.69Å
54	V	97.8	Very high	95.5	Very high	84 Å²	84	51.8 Å²	51.8	51%	0.509	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.3	166.6	-178.1	0	0	0	0	107.8	V37 S64	V37-V54 HydrophobicContact CG2-CG2 4.49Å; V54-S64 PolarHBondContact N-O 2.99Å; V54-S64 PolarHBondContact O-N 3.27Å
55	C	97.6	Very high	95.6	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.6	-170.9	-54	0	0	0	0	110.6	S35 F36 K62 F63	S35-C55 CarbonylContact C-O 3.5Å; S35-C55 WeakPolarHBondContact CA-O 3.41Å; S35-C55 WeakPolarHBondContact CB-O 3.45Å; F36-C55 HydrophobicContact CD1-CB 3.65Å; F36-C55 HydrophobicContact CD2-CB 3.77Å; F36-C55 HydrophobicContact CE1-CB 3.29Å; F36-C55 HydrophobicContact CE2-CB 3.39Å; F36-C55 WeakPolarHBondContact CE2-SG 3.24Å; F36-C55 HydrophobicContact CG-CB 3.9Å; F36-C55 HydrophobicContact CZ-CB 3.14Å; F36-C55 PolarHBondContact N-O 3.34Å; F36-C55 WeakPolarHBondContact O-CA 3.31Å; F36-C55 WeakPolarHBondContact O-CB 3.24Å; F36-C55 PolarHBondContact O-N 3.14Å; C55-K62 CarbonylContact C-O 3.53Å; C55-K62 WeakPolarHBondContact CA-O 3.34Å; C55-F63 HydrophobicContact CB-CD1 4.22Å; C55-F63 HydrophobicContact CB-CE1 4.37Å; C55-F63 WeakPolarHBondContact SG-CD1 3.25Å
56	S	96.8	Very high	95.5	Very high	52 Å²	52	52.4 Å²	52.4	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141	171.3	68.8	0	0	0	0	110.5	Y61 K62	S56-Y61 VanDerWaalsContact O-CA 3.29Å; S56-Y61 WeakPolarHBondContact O-CA 3.46Å; S56-K62 PolarHBondContact N-O 3.47Å; S56-K62 PolarHBondContact O-N 3.01Å; S56-K62 WeakPolarHBondContact OG-CB 3.36Å
57	K	93.8	Very high	95.5	Very high	45 Å²	45	51.1 Å²	51.1	20%	0.196	31%	0.313	C	S	.	.			trans	-100.9	144.8	178.4	-58.9	175	177.5	175.4	0	109.8	E31 T32 D33 E34 F36 Y61	E31-K57 VanDerWaalsContact CG-NZ 3.27Å; E31-K57 IonicContact OE1-NZ 2.8Å; E31-K57 PolarHBondContact OE1-NZ 2.92Å; T32-K57 PolarHBondContact O-NZ 3.46Å; D33-K57 WeakPolarHBondContact O-CD 3.45Å; E34-K57 PolarHBondContact O-N 3.07Å; F36-K57 HydrophobicContact CD1-CD 4.29Å; F36-K57 VanDerWaalsContact CD1-CE 3.49Å; F36-K57 HydrophobicContact CD1-CG 3.9Å; F36-K57 HydrophobicContact CE1-CG 4.16Å; K57-Y61 HydrophobicContact CB-CE1 4.12Å; K57-Y61 HydrophobicContact CB-CE2 4.48Å; K57-Y61 HydrophobicContact CG-CD1 4.46Å; K57-Y61 HydrophobicContact CG-CE1 3.77Å
58	G	90.6	Very high	95.7	Very high	21 Å²	21	47.6 Å²	47.6	22%	0.216	28%	0.277	C	S	.	.	S	Bend	trans	174.3	-156.8	177.8	0	0	0	0	0	112.3	V60 Y61	G58-V60 PolarHBondContact N-O 3.46Å; G58-V60 PolarHBondContact O-N 2.74Å; G58-Y61 WeakPolarHBondContact O-CE2 3.03Å
59	S	88.3	Confident	95.9	Very high	106 Å²	106	45.2 Å²	45.2	74%	0.741	27%	0.266	S	S	*	.	S	Bend	trans	-61.2	-29.4	162.6	48.8	0	0	0	0	111.6
60	V	94.2	Very high	96.1	Very high	43 Å²	43	41.1 Å²	41.1	26%	0.261	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.4	173.4	-177.9	0	0	0	0	108.1	G58 I71 E73	G58-V60 PolarHBondContact N-O 3.46Å; G58-V60 PolarHBondContact O-N 2.74Å; V60-I71 HydrophobicContact CG1-CB 3.65Å; V60-I71 HydrophobicContact CG1-CD1 4.14Å; V60-I71 HydrophobicContact CG1-CG1 4.43Å; V60-I71 HydrophobicContact CG1-CG2 3.9Å; V60-E73 HydrophobicContact CB-CB 4.34Å; V60-E73 HydrophobicContact CG1-CB 4.23Å; V60-E73 HydrophobicContact CG2-CB 3.89Å; V60-E73 WeakPolarHBondContact CG2-OE2 3.48Å
61	Y	97.1	Very high	96.2	Very high	13 Å²	13	38.7 Å²	38.7	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.7	170.8	-83	-120.3	0	0	0	108.7	M1 F5 L9 I13 F36 S56 K57 G58 F63 I71 V72	M1-Y61 HydrophobicContact SD-CE2 3.98Å; F5-Y61 HydrophobicContact CE1-CD2 4.07Å; F5-Y61 HydrophobicContact CE1-CE2 4.22Å; F5-Y61 HydrophobicContact CZ-CD2 4.45Å; L9-Y61 HydrophobicContact CD1-CD1 4.2Å; L9-Y61 HydrophobicContact CD1-CD2 3.82Å; L9-Y61 HydrophobicContact CD1-CE1 4.5Å; L9-Y61 HydrophobicContact CD1-CE2 4.17Å; L9-Y61 HydrophobicContact CD1-CG 3.85Å; L9-Y61 HydrophobicContact CD2-CD1 4.35Å; L9-Y61 HydrophobicContact CD2-CG 4.4Å; I13-Y61 HydrophobicContact CD1-CE1 4.49Å; F36-Y61 HydrophobicContact CE1-CD1 4.16Å; F36-Y61 HydrophobicContact CE1-CE1 4.14Å; S56-Y61 VanDerWaalsContact O-CA 3.29Å; S56-Y61 WeakPolarHBondContact O-CA 3.46Å; K57-Y61 HydrophobicContact CB-CE1 4.12Å; K57-Y61 HydrophobicContact CB-CE2 4.48Å; K57-Y61 HydrophobicContact CG-CD1 4.46Å; K57-Y61 HydrophobicContact CG-CE1 3.77Å; G58-Y61 WeakPolarHBondContact O-CE2 3.03Å; Y61-F63 HydrophobicContact CD1-CZ 4.48Å; Y61-I71 CarbonylContact O-C 3.48Å; Y61-I71 VanDerWaalsContact O-CA 3.25Å; Y61-I71 WeakPolarHBondContact O-CA 3.22Å; Y61-V72 PolarHBondContact N-O 3.24Å; Y61-V72 PolarHBondContact O-N 3.13Å
62	K	98	Very high	96.3	Very high	85 Å²	85	37.5 Å²	37.5	37%	0.37	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.1	177	-176.9	-176.3	175.4	-179.1	0	109.4	C55 S56 T69 I71	C55-K62 CarbonylContact C-O 3.53Å; C55-K62 WeakPolarHBondContact CA-O 3.34Å; S56-K62 PolarHBondContact N-O 3.47Å; S56-K62 PolarHBondContact O-N 3.01Å; S56-K62 WeakPolarHBondContact OG-CB 3.36Å; K62-T69 HydrophobicContact CD-CG2 4.4Å; K62-T69 HydrophobicContact CG-CG2 4.19Å; K62-I71 HydrophobicContact CB-CG2 3.93Å; K62-I71 HydrophobicContact CG-CG2 3.92Å
63	F	98.1	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.1	176.8	-63.5	-101.3	0	0	0	108.4	L9 W12 I13 F36 C55 Y61 T69 Y70 V72	L9-F63 HydrophobicContact CD2-CE2 3.97Å; L9-F63 HydrophobicContact CD2-CZ 3.74Å; W12-F63 AromaticContact CD1-CZ 3.99Å; I13-F63 HydrophobicContact CG1-CE1 4.15Å; I13-F63 HydrophobicContact CG1-CZ 4.24Å; F36-F63 AromaticContact CZ-CE1 3.93Å; F36-F63 HydrophobicContact CZ-CE1 3.93Å; F36-F63 HydrophobicContact CZ-CZ 4.38Å; C55-F63 HydrophobicContact CB-CD1 4.22Å; C55-F63 HydrophobicContact CB-CE1 4.37Å; C55-F63 WeakPolarHBondContact SG-CD1 3.25Å; Y61-F63 HydrophobicContact CD1-CZ 4.48Å; F63-T69 CarbonylContact O-C 3.56Å; F63-T69 VanDerWaalsContact O-CA 3.29Å; F63-T69 WeakPolarHBondContact O-CA 3Å; F63-Y70 HydrophobicContact CB-CD1 3.99Å; F63-Y70 HydrophobicContact CB-CD2 4.18Å; F63-Y70 HydrophobicContact CB-CE1 3.47Å; F63-Y70 VanDerWaalsContact CB-CE1 3.47Å; F63-Y70 HydrophobicContact CB-CE2 3.7Å; F63-Y70 HydrophobicContact CB-CG 4.3Å; F63-Y70 WeakPolarHBondContact CB-OH 3.2Å; F63-Y70 HydrophobicContact CD1-CE2 4.4Å; F63-Y70 WeakPolarHBondContact CD1-OH 3.26Å; F63-Y70 HydrophobicContact CD2-CD2 4.06Å; F63-Y70 AromaticContact CD2-CE2 3.52Å; F63-Y70 HydrophobicContact CD2-CE2 3.52Å; F63-Y70 AromaticContact CD2-CZ 3.95Å; F63-Y70 HydrophobicContact CE2-CE2 4.26Å; F63-Y70 HydrophobicContact CG-CD2 4.37Å; F63-Y70 HydrophobicContact CG-CE1 4.22Å; F63-Y70 AromaticContact CG-CE2 3.62Å; F63-Y70 HydrophobicContact CG-CE2 3.62Å; F63-Y70 AromaticContact CG-CZ 3.52Å; F63-Y70 WeakPolarHBondContact CG-OH 3.4Å; F63-Y70 PolarHBondContact N-O 3.18Å; F63-Y70 PolarHBondContact O-N 3.38Å; F63-V72 HydrophobicContact CD2-CG2 4.12Å; F63-V72 HydrophobicContact CE2-CB 4.28Å; F63-V72 HydrophobicContact CE2-CG2 3.76Å
64	S	98	Very high	96.1	Very high	33 Å²	33	40.7 Å²	40.7	23%	0.231	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.5	-178.9	-44.3	0	0	0	0	110.1	E53 V54	E53-S64 CarbonylContact C-O 3.55Å; E53-S64 VanDerWaalsContact CA-O 3.25Å; E53-S64 WeakPolarHBondContact CA-O 3.09Å; V54-S64 PolarHBondContact N-O 2.99Å; V54-S64 PolarHBondContact O-N 3.27Å
65	S	96.9	Very high	95.8	Very high	19 Å²	19	38.8 Å²	38.8	13%	0.133	22%	0.219	C	C	.	.			trans	-118.5	-179.2	172.6	66.9	0	0	0	0	110.4	S67 I68	S65-S67 PolarHBondContact O-N 3.09Å; S65-S67 PolarHBondContact OG-N 3.44Å; S65-I68 PolarHBondContact N-O 2.72Å; S65-I68 WeakPolarHBondContact OG-CG2 3.41Å; S65-I68 PolarHBondContact OG-N 3.12Å; S65-I68 PolarHBondContact OG-O 3.16Å
66	I	94.3	Very high	95.5	Very high	158 Å²	158	46.5 Å²	46.5	81%	0.81	26%	0.26	S	S	*	.	S	Bend	trans	-62.1	-27.5	172.8	-165.2	164.8	0	0	0	113.2
67	S	95.4	Very high	95.2	Very high	12 Å²	12	46 Å²	46	8%	0.084	26%	0.264	C	S	.	.	S	Bend	trans	-108.3	-24.3	-172.7	65.2	0	0	0	0	114.5	S65 S87	S65-S67 PolarHBondContact O-N 3.09Å; S65-S67 PolarHBondContact OG-N 3.44Å; S67-S87 VanDerWaalsContact CA-OG 3.26Å; S67-S87 WeakPolarHBondContact CA-OG 3.41Å; S67-S87 PolarHBondContact O-N 2.92Å; S67-S87 PolarHBondContact O-OG 2.8Å
68	I	97.3	Very high	95.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	142.6	-174	-164.2	162.9	0	0	0	111.4	S65 Y70 V83 D85 E86 F91 L96	S65-I68 PolarHBondContact N-O 2.72Å; S65-I68 WeakPolarHBondContact OG-CG2 3.41Å; S65-I68 PolarHBondContact OG-N 3.12Å; S65-I68 PolarHBondContact OG-O 3.16Å; I68-Y70 HydrophobicContact CG1-CD1 4.38Å; I68-Y70 HydrophobicContact CG2-CD1 4.19Å; I68-Y70 HydrophobicContact CG2-CE1 4.31Å; I68-V83 HydrophobicContact CD1-CG1 4.19Å; I68-V83 HydrophobicContact CD1-CG2 4.41Å; I68-V83 HydrophobicContact CG1-CG1 4.1Å; I68-D85 WeakPolarHBondContact CA-O 3.49Å; I68-D85 WeakPolarHBondContact CG1-O 3.44Å; I68-E86 HydrophobicContact CD1-CG 4.28Å; I68-E86 HydrophobicContact CG1-CB 4.43Å; I68-F91 HydrophobicContact CD1-CB 4.44Å; I68-F91 HydrophobicContact CG2-CB 4.15Å; I68-F91 HydrophobicContact CG2-CD2 4.49Å; I68-L96 HydrophobicContact CD1-CD1 3.57Å; I68-L96 HydrophobicContact CG1-CD1 4.49Å
69	T	98.2	Very high	95.5	Very high	21 Å²	21	51.5 Å²	51.5	13%	0.129	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.3	168.5	-61.9	0	0	0	0	109.6	K62 F63 L84 D85	K62-T69 HydrophobicContact CD-CG2 4.4Å; K62-T69 HydrophobicContact CG-CG2 4.19Å; F63-T69 CarbonylContact O-C 3.56Å; F63-T69 VanDerWaalsContact O-CA 3.29Å; F63-T69 WeakPolarHBondContact O-CA 3Å; T69-L84 HydrophobicContact CG2-CB 4.15Å; T69-L84 HydrophobicContact CG2-CD1 4.1Å; T69-L84 PolarHBondContact O-N 2.92Å; T69-D85 PolarHBondContact N-O 3Å; T69-D85 PolarHBondContact O-N 3.02Å
70	Y	98.3	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.2	179.2	63	-81.6	0	0	0	111.6	W12 R38 E53 F63 I68 V72 V81 S82 L96	W12-Y70 AromaticContact NE1-CZ 3.98Å; W12-Y70 PolarHBondContact NE1-OH 2.89Å; W12-Y70 VanDerWaalsContact NE1-OH 3.11Å; R38-Y70 PolarHBondContact NH2-OH 2.91Å; E53-Y70 VanDerWaalsContact OE1-CE1 3.24Å; E53-Y70 WeakPolarHBondContact OE1-CE1 3.27Å; E53-Y70 PolarHBondContact OE1-OH 2.69Å; F63-Y70 HydrophobicContact CB-CD1 3.99Å; F63-Y70 HydrophobicContact CB-CD2 4.18Å; F63-Y70 HydrophobicContact CB-CE1 3.47Å; F63-Y70 VanDerWaalsContact CB-CE1 3.47Å; F63-Y70 HydrophobicContact CB-CE2 3.7Å; F63-Y70 HydrophobicContact CB-CG 4.3Å; F63-Y70 WeakPolarHBondContact CB-OH 3.2Å; F63-Y70 HydrophobicContact CD1-CE2 4.4Å; F63-Y70 WeakPolarHBondContact CD1-OH 3.26Å; F63-Y70 HydrophobicContact CD2-CD2 4.06Å; F63-Y70 AromaticContact CD2-CE2 3.52Å; F63-Y70 HydrophobicContact CD2-CE2 3.52Å; F63-Y70 AromaticContact CD2-CZ 3.95Å; F63-Y70 HydrophobicContact CE2-CE2 4.26Å; F63-Y70 HydrophobicContact CG-CD2 4.37Å; F63-Y70 HydrophobicContact CG-CE1 4.22Å; F63-Y70 AromaticContact CG-CE2 3.62Å; F63-Y70 HydrophobicContact CG-CE2 3.62Å; F63-Y70 AromaticContact CG-CZ 3.52Å; F63-Y70 WeakPolarHBondContact CG-OH 3.4Å; F63-Y70 PolarHBondContact N-O 3.18Å; F63-Y70 PolarHBondContact O-N 3.38Å; I68-Y70 HydrophobicContact CG1-CD1 4.38Å; I68-Y70 HydrophobicContact CG2-CD1 4.19Å; I68-Y70 HydrophobicContact CG2-CE1 4.31Å; Y70-V72 HydrophobicContact CD2-CG2 4.13Å; Y70-V72 HydrophobicContact CE2-CG2 4.12Å; Y70-V81 HydrophobicContact CD2-CG1 4.04Å; Y70-S82 CarbonylContact C-O 3.56Å; Y70-S82 VanDerWaalsContact CA-O 3.26Å; Y70-S82 WeakPolarHBondContact CA-O 3.23Å; Y70-S82 WeakPolarHBondContact CB-O 3.29Å; Y70-L96 HydrophobicContact CD1-CD1 3.81Å; Y70-L96 HydrophobicContact CD2-CD1 4.26Å; Y70-L96 HydrophobicContact CD2-CD2 4.45Å; Y70-L96 HydrophobicContact CE1-CD1 4.36Å; Y70-L96 HydrophobicContact CE2-CD2 4.28Å; Y70-L96 HydrophobicContact CG-CD1 3.77Å
71	I	97.9	Very high	96.1	Very high	26 Å²	26	48.5 Å²	48.5	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.6	177	60.7	169.3	0	0	0	110.8	V60 Y61 K62 V81 S82 L84	V60-I71 HydrophobicContact CG1-CB 3.65Å; V60-I71 HydrophobicContact CG1-CD1 4.14Å; V60-I71 HydrophobicContact CG1-CG1 4.43Å; V60-I71 HydrophobicContact CG1-CG2 3.9Å; Y61-I71 CarbonylContact O-C 3.48Å; Y61-I71 VanDerWaalsContact O-CA 3.25Å; Y61-I71 WeakPolarHBondContact O-CA 3.22Å; K62-I71 HydrophobicContact CB-CG2 3.93Å; K62-I71 HydrophobicContact CG-CG2 3.92Å; I71-V81 WeakPolarHBondContact O-CA 3.49Å; I71-S82 WeakPolarHBondContact CG1-O 3.37Å; I71-S82 PolarHBondContact N-O 3.11Å; I71-S82 PolarHBondContact O-N 2.88Å; I71-L84 HydrophobicContact CD1-CD2 4.5Å; I71-L84 HydrophobicContact CG2-CD1 3.76Å; I71-L84 HydrophobicContact CG2-CG 4.23Å
72	V	97.8	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.2	172.3	-174.8	0	0	0	0	107.6	F5 L9 Y61 F63 Y70 I79 Q80 V81 L104	F5-V72 HydrophobicContact CE2-CG1 4.15Å; F5-V72 HydrophobicContact CZ-CG1 4.43Å; L9-V72 HydrophobicContact CD1-CG1 4.38Å; L9-V72 HydrophobicContact CD2-CB 4.19Å; L9-V72 HydrophobicContact CD2-CG1 4.06Å; L9-V72 HydrophobicContact CD2-CG2 4.47Å; L9-V72 HydrophobicContact CG-CG1 4.28Å; Y61-V72 PolarHBondContact N-O 3.24Å; Y61-V72 PolarHBondContact O-N 3.13Å; F63-V72 HydrophobicContact CD2-CG2 4.12Å; F63-V72 HydrophobicContact CE2-CB 4.28Å; F63-V72 HydrophobicContact CE2-CG2 3.76Å; Y70-V72 HydrophobicContact CD2-CG2 4.13Å; Y70-V72 HydrophobicContact CE2-CG2 4.12Å; V72-I79 HydrophobicContact CG1-CG2 3.55Å; V72-Q80 WeakPolarHBondContact CA-O 3.49Å; V72-V81 HydrophobicContact CG2-CG1 4.44Å; V72-V81 HydrophobicContact CG2-CG2 4.23Å; V72-L104 HydrophobicContact CG1-CD1 3.84Å
73	E	96.4	Very high	96.1	Very high	53 Å²	53	48 Å²	48	25%	0.248	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.6	-179.5	65.2	-179.7	155	0	0	111.4	V60 I79 Q80	V60-E73 HydrophobicContact CB-CB 4.34Å; V60-E73 HydrophobicContact CG1-CB 4.23Å; V60-E73 HydrophobicContact CG2-CB 3.89Å; V60-E73 WeakPolarHBondContact CG2-OE2 3.48Å; E73-I79 CarbonylContact O-C 3.52Å; E73-I79 WeakPolarHBondContact O-CA 3.11Å; E73-Q80 PolarHBondContact N-O 3.45Å; E73-Q80 VanDerWaalsContact N-O 3.12Å; E73-Q80 PolarHBondContact O-N 3.29Å
74	K	95.1	Very high	96.1	Very high	83 Å²	83	53 Å²	53	36%	0.361	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.2	174.1	-176.7	-169.7	167.8	-169.2	0	109.5	D2 F5 R78 Y108	D2-K74 IonicContact OD2-NZ 2.64Å; D2-K74 PolarHBondContact OD2-NZ 3.19Å; F5-K74 HydrophobicContact CD2-CB 4.11Å; F5-K74 HydrophobicContact CE2-CB 4.25Å; F5-K74 HydrophobicContact CG-CB 4.42Å; K74-R78 CarbonylContact C-O 3.38Å; K74-R78 VanDerWaalsContact CA-O 3.31Å; K74-R78 WeakPolarHBondContact CA-O 3.38Å; K74-Y108 HydrophobicContact CD-CE2 4.45Å; K74-Y108 WeakPolarHBondContact CE-OH 3.41Å; K74-Y108 PolarHBondContact NZ-OH 2.89Å
75	T	92.4	Very high	96	Very high	44 Å²	44	56.1 Å²	56.1	27%	0.27	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.3	-179.1	-35.9	0	0	0	0	108.9	G77 R78 Q80	T75-G77 PolarHBondContact O-N 3.01Å; T75-G77 VanDerWaalsContact O-N 3.13Å; T75-R78 PolarHBondContact N-O 2.85Å; T75-R78 PolarHBondContact O-N 3.45Å; T75-R78 VanDerWaalsContact O-O 3.04Å; T75-Q80 PolarHBondContact OG1-OE1 3.22Å
76	N	90.2	Very high	95.9	Very high	162 Å²	162	59.2 Å²	59.2	87%	0.866	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	38.3	178.2	-59.2	-29.5	0	0	0	114.3	R78	N76-R78 VanDerWaalsContact C-N 3.25Å; N76-R78 PolarHBondContact O-N 3.26Å
77	G	90.6	Very high	95.9	Very high	43 Å²	43	54 Å²	54	44%	0.443	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	4	178.8	0	0	0	0	0	115.3	T75	T75-G77 PolarHBondContact O-N 3.01Å; T75-G77 VanDerWaalsContact O-N 3.13Å
78	R	94.8	Very high	95.7	Very high	181 Å²	181	59.8 Å²	59.8	68%	0.683	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	153.2	175.4	-66.9	-174.1	177.7	178.7	0	110.9	K74 T75 N76 N105	K74-R78 CarbonylContact C-O 3.38Å; K74-R78 VanDerWaalsContact CA-O 3.31Å; K74-R78 WeakPolarHBondContact CA-O 3.38Å; T75-R78 PolarHBondContact N-O 2.85Å; T75-R78 PolarHBondContact O-N 3.45Å; T75-R78 VanDerWaalsContact O-O 3.04Å; N76-R78 VanDerWaalsContact C-N 3.25Å; N76-R78 PolarHBondContact O-N 3.26Å; R78-N105 WeakPolarHBondContact CA-OD1 3.32Å
79	I	96.8	Very high	95.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.4	170	-59.6	178.8	0	0	0	107.8	F5 A8 V72 E73 E101 L104 N105 Y108	F5-I79 HydrophobicContact CD2-CD1 3.67Å; F5-I79 HydrophobicContact CD2-CG1 3.78Å; F5-I79 HydrophobicContact CE2-CD1 4.16Å; F5-I79 HydrophobicContact CE2-CG1 4.07Å; F5-I79 HydrophobicContact CE2-CG2 4.18Å; A8-I79 HydrophobicContact CB-CD1 4.2Å; V72-I79 HydrophobicContact CG1-CG2 3.55Å; E73-I79 CarbonylContact O-C 3.52Å; E73-I79 WeakPolarHBondContact O-CA 3.11Å; I79-E101 WeakPolarHBondContact O-CG 3.43Å; I79-L104 HydrophobicContact CB-CB 4.28Å; I79-L104 HydrophobicContact CD1-CB 4.02Å; I79-L104 HydrophobicContact CG2-CB 3.94Å; I79-L104 HydrophobicContact CG2-CD1 3.97Å; I79-N105 PolarHBondContact N-OD1 3.44Å; I79-N105 PolarHBondContact O-ND2 2.78Å; I79-Y108 HydrophobicContact CD1-CD2 4.21Å; I79-Y108 HydrophobicContact CD1-CG 4.12Å; I79-Y108 HydrophobicContact CG1-CG 4.49Å
80	Q	97.1	Very high	95.2	Very high	78 Å²	78	61.1 Å²	61.1	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.4	175.8	-68.3	-175.2	-42.6	0	0	109.7	V72 E73 T75	V72-Q80 WeakPolarHBondContact CA-O 3.49Å; E73-Q80 PolarHBondContact N-O 3.45Å; E73-Q80 VanDerWaalsContact N-O 3.12Å; E73-Q80 PolarHBondContact O-N 3.29Å; T75-Q80 PolarHBondContact OG1-OE1 3.22Å
81	V	97.9	Very high	95.1	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.2	174.8	-173.7	0	0	0	0	109	Y70 I71 V72 L96 E101 L104	Y70-V81 HydrophobicContact CD2-CG1 4.04Å; I71-V81 WeakPolarHBondContact O-CA 3.49Å; V72-V81 HydrophobicContact CG2-CG1 4.44Å; V72-V81 HydrophobicContact CG2-CG2 4.23Å; V81-L96 HydrophobicContact CG1-CB 4.02Å; V81-E101 HydrophobicContact CB-CB 4.22Å; V81-E101 HydrophobicContact CG2-CB 3.8Å; V81-E101 HydrophobicContact CG2-CG 4.21Å; V81-E101 PolarHBondContact N-OE2 2.77Å; V81-L104 HydrophobicContact CG2-CD1 3.84Å
82	S	97.1	Very high	95	Very high	47 Å²	47	63.7 Å²	63.7	33%	0.329	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.2	-179	-58.8	0	0	0	0	110.2	Y70 I71	Y70-S82 CarbonylContact C-O 3.56Å; Y70-S82 VanDerWaalsContact CA-O 3.26Å; Y70-S82 WeakPolarHBondContact CA-O 3.23Å; Y70-S82 WeakPolarHBondContact CB-O 3.29Å; I71-S82 WeakPolarHBondContact CG1-O 3.37Å; I71-S82 PolarHBondContact N-O 3.11Å; I71-S82 PolarHBondContact O-N 2.88Å
83	V	97.6	Very high	94.9	Very high	42 Å²	42	65.7 Å²	65.7	26%	0.255	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.5	177.7	178.4	0	0	0	0	109.1	I68 E86 L96	I68-V83 HydrophobicContact CD1-CG1 4.19Å; I68-V83 HydrophobicContact CD1-CG2 4.41Å; I68-V83 HydrophobicContact CG1-CG1 4.1Å; V83-E86 HydrophobicContact CG1-CB 4.06Å; V83-L96 HydrophobicContact CG2-CD1 3.77Å
84	L	97.1	Very high	94.8	Very high	103 Å²	103	66.8 Å²	66.8	54%	0.539	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-36.1	-179.3	-58.7	-175.6	0	0	0	112.1	T69 I71	T69-L84 HydrophobicContact CG2-CB 4.15Å; T69-L84 HydrophobicContact CG2-CD1 4.1Å; T69-L84 PolarHBondContact O-N 2.92Å; I71-L84 HydrophobicContact CD1-CD2 4.5Å; I71-L84 HydrophobicContact CG2-CD1 3.76Å; I71-L84 HydrophobicContact CG2-CG 4.23Å
85	D	96.1	Very high	94.9	Very high	100 Å²	100	65 Å²	65	54%	0.535	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	140.9	179.9	-176.6	48.8	0	0	0	109.2	I68 T69	I68-D85 WeakPolarHBondContact CA-O 3.49Å; I68-D85 WeakPolarHBondContact CG1-O 3.44Å; T69-D85 PolarHBondContact N-O 3Å; T69-D85 PolarHBondContact O-N 3.02Å
86	E	96.2	Very high	95.1	Very high	84 Å²	84	63 Å²	63	39%	0.393	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	131	-178.7	-178.9	176.2	-164.2	0	0	110.4	I68 V83 H92 S93	I68-E86 HydrophobicContact CD1-CG 4.28Å; I68-E86 HydrophobicContact CG1-CB 4.43Å; V83-E86 HydrophobicContact CG1-CB 4.06Å; E86-H92 WeakPolarHBondContact OE1-CA 3.35Å; E86-H92 IonicContact OE1-ND1 2.69Å; E86-S93 PolarHBondContact OE1-N 3.38Å; E86-S93 WeakPolarHBondContact OE2-CB 3.33Å; E86-S93 PolarHBondContact OE2-N 3.07Å
87	S	93.5	Very high	95.4	Very high	49 Å²	49	61.2 Å²	61.2	34%	0.343	34%	0.337	S	S	.	.			trans	-126.4	164.5	165.8	63.1	0	0	0	0	108.7	S67 G89	S67-S87 VanDerWaalsContact CA-OG 3.26Å; S67-S87 WeakPolarHBondContact CA-OG 3.41Å; S67-S87 PolarHBondContact O-N 2.92Å; S67-S87 PolarHBondContact O-OG 2.8Å; S87-G89 PolarHBondContact O-N 2.77Å; S87-G89 VanDerWaalsContact O-N 3.07Å
88	P	91	Very high	95.7	Very high	133 Å²	133	63.9 Å²	63.9	86%	0.864	34%	0.341	S	S	*	.	S	Bend	trans	-53.3	119.8	178.5	-26.7	35.6	0	0	0	111.4
89	G	91.4	Very high	95.8	Very high	27 Å²	27	57.7 Å²	57.7	28%	0.278	32%	0.324	S	S	.	.	S	Bend	trans	-160.8	-167.7	-172.3	0	0	0	0	0	113	S87 H92	S87-G89 PolarHBondContact O-N 2.77Å; S87-G89 VanDerWaalsContact O-N 3.07Å; G89-H92 PolarHBondContact O-CE1 3.03Å; G89-H92 PolarHBondContact O-NE2 2.81Å
90	F	95	Very high	95.8	Very high	21 Å²	21	57.7 Å²	57.7	9%	0.092	32%	0.324	C	S	.	.	S	Bend	trans	-78.9	-35.2	-176.8	-177.2	-107	0	0	0	113.4	H20 D22 V23 P42 T46 I48 F51	H20-F90 AromaticContact CE1-CE1 3.83Å; H20-F90 AromaticContact CE1-CZ 3.51Å; H20-F90 AromaticContact ND1-CZ 3.81Å; D22-F90 HydrophobicContact CB-CE2 4.21Å; D22-F90 HydrophobicContact CB-CZ 4.05Å; V23-F90 HydrophobicContact CG2-CE1 3.44Å; V23-F90 VanDerWaalsContact CG2-CE1 3.44Å; V23-F90 HydrophobicContact CG2-CZ 3.87Å; P42-F90 HydrophobicContact CB-CD2 4.46Å; P42-F90 HydrophobicContact CB-CE2 3.96Å; P42-F90 HydrophobicContact CB-CZ 4.08Å; P42-F90 HydrophobicContact CG-CD2 4.35Å; P42-F90 HydrophobicContact CG-CE1 4.46Å; P42-F90 HydrophobicContact CG-CE2 4.25Å; P42-F90 HydrophobicContact CG-CG 4.44Å; P42-F90 HydrophobicContact CG-CZ 4.29Å; T46-F90 HydrophobicContact CG2-CE2 4.31Å; I48-F90 HydrophobicContact CD1-CB 4.46Å; I48-F90 HydrophobicContact CD1-CD2 3.5Å; I48-F90 VanDerWaalsContact CD1-CD2 3.5Å; I48-F90 HydrophobicContact CD1-CE2 4.22Å; I48-F90 HydrophobicContact CD1-CG 4.43Å; I48-F90 HydrophobicContact CG2-CB 4.43Å; I48-F90 HydrophobicContact CG2-CD2 4.36Å; F51-F90 HydrophobicContact CE1-CB 3.78Å; F51-F90 AromaticContact CE1-CD1 3.75Å; F51-F90 HydrophobicContact CE1-CD1 3.75Å; F51-F90 AromaticContact CE1-CG 3.95Å; F51-F90 HydrophobicContact CE1-CG 3.95Å; F51-F90 HydrophobicContact CZ-CB 4.13Å; F51-F90 AromaticContact CZ-CD1 3.81Å; F51-F90 HydrophobicContact CZ-CD1 3.81Å; F51-F90 HydrophobicContact CZ-CG 4.33Å
91	F	95.5	Very high	95.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-102.3	145.5	172.5	-61.8	-45.6	0	0	0	109.8	W12 H20 V23 V40 F51 I68 W95	W12-F91 AromaticContact CH2-CE1 3.82Å; W12-F91 HydrophobicContact CH2-CE1 3.82Å; W12-F91 HydrophobicContact CH2-CE2 4.29Å; W12-F91 AromaticContact CH2-CZ 3.65Å; W12-F91 HydrophobicContact CH2-CZ 3.65Å; W12-F91 HydrophobicContact CZ2-CE1 4.49Å; W12-F91 HydrophobicContact CZ2-CE2 4.23Å; W12-F91 HydrophobicContact CZ2-CZ 4.05Å; H20-F91 AromaticContact CD2-CD1 3.91Å; H20-F91 AromaticContact CD2-CE1 3.72Å; V23-F91 HydrophobicContact CG2-CE1 4.19Å; V23-F91 HydrophobicContact CG2-CZ 4.33Å; V40-F91 HydrophobicContact CG1-CZ 4.15Å; F51-F91 HydrophobicContact CE2-CD2 4.28Å; F51-F91 AromaticContact CE2-CE2 3.92Å; F51-F91 HydrophobicContact CE2-CE2 3.92Å; F51-F91 HydrophobicContact CZ-CD2 4.06Å; F51-F91 AromaticContact CZ-CE2 3.65Å; F51-F91 HydrophobicContact CZ-CE2 3.65Å; F51-F91 HydrophobicContact CZ-CZ 4.15Å; I68-F91 HydrophobicContact CD1-CB 4.44Å; I68-F91 HydrophobicContact CG2-CB 4.15Å; I68-F91 HydrophobicContact CG2-CD2 4.49Å; F91-W95 HydrophobicContact CD1-CE3 4.32Å; F91-W95 HydrophobicContact CD1-CZ3 4.19Å; F91-W95 HydrophobicContact CE1-CZ3 4.39Å
92	H	95.3	Very high	95.9	Very high	81 Å²	81	62.1 Å²	62.1	38%	0.375	34%	0.344	S	S	.	.			trans	-129.8	152.6	-179.3	-56.8	-64.9	0	0	0	111.4	E86 G89 S94 W95 L96	E86-H92 WeakPolarHBondContact OE1-CA 3.35Å; E86-H92 IonicContact OE1-ND1 2.69Å; G89-H92 PolarHBondContact O-CE1 3.03Å; G89-H92 PolarHBondContact O-NE2 2.81Å; H92-S94 VanDerWaalsContact C-N 3.35Å; H92-S94 PolarHBondContact O-N 2.99Å; H92-W95 PolarHBondContact O-N 2.89Å; H92-W95 VanDerWaalsContact O-N 3.14Å; H92-L96 PolarHBondContact O-N 3.36Å
93	S	95.6	Very high	95.9	Very high	42 Å²	42	63.8 Å²	63.8	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-43.3	-177.5	176.4	0	0	0	0	113.5	E86 W95 L96 K97	E86-S93 PolarHBondContact OE1-N 3.38Å; E86-S93 WeakPolarHBondContact OE2-CB 3.33Å; E86-S93 PolarHBondContact OE2-N 3.07Å; S93-W95 PolarHBondContact O-N 2.91Å; S93-L96 PolarHBondContact O-N 2.61Å; S93-K97 PolarHBondContact O-N 3.05Å
94	S	95.3	Very high	95.9	Very high	75 Å²	75	61.8 Å²	61.8	52%	0.524	33%	0.333	S	S	.	.	H	α-helix	trans	-58.1	-46.5	175.6	54.6	0	0	0	0	111.9	H92 K97 D98	H92-S94 VanDerWaalsContact C-N 3.35Å; H92-S94 PolarHBondContact O-N 2.99Å; S94-K97 PolarHBondContact O-N 2.83Å; S94-D98 WeakPolarHBondContact O-CB 3.43Å; S94-D98 PolarHBondContact O-N 2.86Å
95	W	96.5	Very high	95.9	Very high	47 Å²	47	58.7 Å²	58.7	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-42.2	179.7	-176.7	87.4	0	0	0	112.6	W12 V19 H20 F91 H92 S93 K97 V99 L100	W12-W95 AromaticContact CH2-CH2 3.85Å; W12-W95 HydrophobicContact CH2-CH2 3.85Å; W12-W95 AromaticContact CH2-CZ3 3.82Å; W12-W95 HydrophobicContact CH2-CZ3 3.82Å; W12-W95 AromaticContact CZ3-CH2 3.85Å; W12-W95 HydrophobicContact CZ3-CH2 3.85Å; W12-W95 HydrophobicContact CZ3-CZ3 4.28Å; V19-W95 HydrophobicContact CG1-CH2 4.2Å; V19-W95 HydrophobicContact CG2-CH2 4.12Å; V19-W95 HydrophobicContact CG2-CZ2 3.9Å; H20-W95 HydrophobicContact CB-CH2 3.78Å; H20-W95 HydrophobicContact CB-CZ2 3.56Å; H20-W95 AromaticContact CD2-CD2 3.82Å; H20-W95 AromaticContact CD2-CE2 3.38Å; H20-W95 AromaticContact CD2-CH2 3.58Å; H20-W95 AromaticContact CD2-CZ2 3.28Å; H20-W95 WeakPolarHBondContact CD2-CZ2 3.49Å; H20-W95 AromaticContact CD2-CZ3 3.94Å; H20-W95 AromaticContact CD2-NE1 3.93Å; H20-W95 AromaticContact CG-CZ2 3.73Å; F91-W95 HydrophobicContact CD1-CE3 4.32Å; F91-W95 HydrophobicContact CD1-CZ3 4.19Å; F91-W95 HydrophobicContact CE1-CZ3 4.39Å; H92-W95 PolarHBondContact O-N 2.89Å; H92-W95 VanDerWaalsContact O-N 3.14Å; S93-W95 PolarHBondContact O-N 2.91Å; W95-K97 VanDerWaalsContact C-N 3.29Å; W95-K97 PolarHBondContact O-N 2.87Å; W95-V99 HydrophobicContact CD2-CB 4.39Å; W95-V99 HydrophobicContact CG-CB 4.42Å; W95-V99 HydrophobicContact CG-CG2 4.37Å; W95-V99 HydrophobicContact CZ2-CB 4.41Å; W95-V99 HydrophobicContact CZ2-CG1 4.11Å; W95-V99 WeakPolarHBondContact O-CA 3.39Å; W95-V99 VanDerWaalsContact O-CB 3.29Å; W95-V99 WeakPolarHBondContact O-CB 3.44Å; W95-V99 PolarHBondContact O-N 3.18Å; W95-L100 HydrophobicContact CE3-CB 4.49Å; W95-L100 HydrophobicContact CH2-CB 4.19Å; W95-L100 HydrophobicContact CZ3-CB 3.94Å; W95-L100 HydrophobicContact CZ3-CD2 4.47Å; W95-L100 PolarHBondContact O-N 3Å
96	L	97.3	Very high	95.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.313	C	S	.	.	I	π-helix	trans	-60.5	-41.5	178.2	-72.9	173.6	0	0	0	111.4	I68 Y70 V81 V83 H92 S93 L100 E101	I68-L96 HydrophobicContact CD1-CD1 3.57Å; I68-L96 HydrophobicContact CG1-CD1 4.49Å; Y70-L96 HydrophobicContact CD1-CD1 3.81Å; Y70-L96 HydrophobicContact CD2-CD1 4.26Å; Y70-L96 HydrophobicContact CD2-CD2 4.45Å; Y70-L96 HydrophobicContact CE1-CD1 4.36Å; Y70-L96 HydrophobicContact CE2-CD2 4.28Å; Y70-L96 HydrophobicContact CG-CD1 3.77Å; V81-L96 HydrophobicContact CG1-CB 4.02Å; V83-L96 HydrophobicContact CG2-CD1 3.77Å; H92-L96 PolarHBondContact O-N 3.36Å; S93-L96 PolarHBondContact O-N 2.61Å; L96-L100 HydrophobicContact CD2-CB 4.36Å; L96-L100 HydrophobicContact CD2-CD2 3.51Å; L96-L100 VanDerWaalsContact O-CB 3.32Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 PolarHBondContact O-N 3.28Å; L96-E101 PolarHBondContact O-N 3.38Å
97	K	95.7	Very high	95.9	Very high	124 Å²	124	55.4 Å²	55.4	54%	0.539	30%	0.299	S	S	.	.	I	π-helix	trans	-78.3	-47.3	-179.5	-163.4	166.2	-175.1	172	0	112.7	S93 S94 W95 E101	S93-K97 PolarHBondContact O-N 3.05Å; S94-K97 PolarHBondContact O-N 2.83Å; W95-K97 VanDerWaalsContact C-N 3.29Å; W95-K97 PolarHBondContact O-N 2.87Å; K97-E101 WeakPolarHBondContact O-CB 3.44Å
98	D	96.5	Very high	95.9	Very high	99 Å²	99	54.7 Å²	54.7	53%	0.529	29%	0.289	S	S	.	.	I	π-helix	trans	-78.8	-26	-172.3	-61.9	-24	0	0	0	112.6	S94 Q102	S94-D98 WeakPolarHBondContact O-CB 3.43Å; S94-D98 PolarHBondContact O-N 2.86Å; D98-Q102 WeakPolarHBondContact O-CG 3.43Å; D98-Q102 PolarHBondContact O-NE2 2.88Å
99	V	97.4	Very high	96.1	Very high	52 Å²	52	52.4 Å²	52.4	32%	0.315	28%	0.276	S	S	.	.	I	π-helix	trans	-117	-55.8	-174.7	-173.1	0	0	0	0	112.2	V19 W95 K103	V19-V99 HydrophobicContact CG2-CG1 3.8Å; W95-V99 HydrophobicContact CD2-CB 4.39Å; W95-V99 HydrophobicContact CG-CB 4.42Å; W95-V99 HydrophobicContact CG-CG2 4.37Å; W95-V99 HydrophobicContact CZ2-CB 4.41Å; W95-V99 HydrophobicContact CZ2-CG1 4.11Å; W95-V99 WeakPolarHBondContact O-CA 3.39Å; W95-V99 VanDerWaalsContact O-CB 3.29Å; W95-V99 WeakPolarHBondContact O-CB 3.44Å; W95-V99 PolarHBondContact O-N 3.18Å; V99-K103 WeakPolarHBondContact O-CB 3.42Å; V99-K103 WeakPolarHBondContact O-CG 3.37Å; V99-K103 PolarHBondContact O-N 2.68Å
100	L	97.9	Very high	96.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	I	π-helix	trans	-68.1	-47.2	-173.8	177.3	64.9	0	0	0	111.6	W12 V19 W95 L96 Q102 K103 L104	W12-L100 HydrophobicContact CB-CD1 4.32Å; W12-L100 HydrophobicContact CD2-CD1 3.61Å; W12-L100 HydrophobicContact CD2-CD2 3.96Å; W12-L100 HydrophobicContact CD2-CG 4.46Å; W12-L100 HydrophobicContact CE3-CD1 3.61Å; W12-L100 HydrophobicContact CE3-CD2 4.48Å; W12-L100 HydrophobicContact CG-CD1 3.94Å; W12-L100 HydrophobicContact CG-CD2 4.35Å; W12-L100 HydrophobicContact CH2-CD2 4.42Å; W12-L100 HydrophobicContact CZ2-CD2 3.89Å; W12-L100 HydrophobicContact CZ3-CD1 4.17Å; V19-L100 HydrophobicContact CG1-CD1 4.24Å; W95-L100 HydrophobicContact CE3-CB 4.49Å; W95-L100 HydrophobicContact CH2-CB 4.19Å; W95-L100 HydrophobicContact CZ3-CB 3.94Å; W95-L100 HydrophobicContact CZ3-CD2 4.47Å; W95-L100 PolarHBondContact O-N 3Å; L96-L100 HydrophobicContact CD2-CB 4.36Å; L96-L100 HydrophobicContact CD2-CD2 3.51Å; L96-L100 VanDerWaalsContact O-CB 3.32Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 PolarHBondContact O-N 3.28Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.29Å; L100-K103 PolarHBondContact O-N 3.39Å; L100-K103 VanDerWaalsContact O-N 3.13Å; L100-L104 HydrophobicContact CD1-CD1 4.08Å; L100-L104 HydrophobicContact CD1-CG 4Å; L100-L104 HydrophobicContact CD2-CD1 4.37Å; L100-L104 HydrophobicContact CG-CD1 3.82Å; L100-L104 HydrophobicContact CG-CG 4.22Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 2.93Å
101	E	98	Very high	95.9	Very high	45 Å²	45	57.1 Å²	57.1	21%	0.21	30%	0.301	C	S	.	.	I	π-helix	trans	-56.9	-45.9	178	-172.6	178.5	119.2	0	0	111.6	I79 V81 L96 K97 K103 L104 N105	I79-E101 WeakPolarHBondContact O-CG 3.43Å; V81-E101 HydrophobicContact CB-CB 4.22Å; V81-E101 HydrophobicContact CG2-CB 3.8Å; V81-E101 HydrophobicContact CG2-CG 4.21Å; V81-E101 PolarHBondContact N-OE2 2.77Å; L96-E101 PolarHBondContact O-N 3.38Å; K97-E101 WeakPolarHBondContact O-CB 3.44Å; E101-K103 VanDerWaalsContact C-N 3.33Å; E101-K103 PolarHBondContact O-N 3.2Å; E101-L104 PolarHBondContact O-N 2.82Å; E101-N105 PolarHBondContact O-N 3.24Å; E101-N105 PolarHBondContact O-ND2 3.34Å
102	Q	97.3	Very high	95.5	Very high	133 Å²	133	58.3 Å²	58.3	62%	0.621	31%	0.311	S	S	*	.	H	α-helix	trans	-61.4	-41.9	177.6	-62.7	-164.4	24.3	0	0	111.7	D98 L100 N105 L106	D98-Q102 WeakPolarHBondContact O-CG 3.43Å; D98-Q102 PolarHBondContact O-NE2 2.88Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.29Å; Q102-N105 PolarHBondContact O-N 2.84Å; Q102-L106 WeakPolarHBondContact O-CB 3.28Å; Q102-L106 PolarHBondContact O-N 2.9Å
103	K	97.3	Very high	94.9	Very high	82 Å²	82	60.2 Å²	60.2	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-68.8	-39.6	178.4	-77.8	-70.1	-177.8	-175.2	0	113.1	V19 V99 L100 E101 L106 W107	V19-K103 HydrophobicContact CB-CG 4.41Å; V19-K103 HydrophobicContact CG2-CB 3.99Å; V19-K103 HydrophobicContact CG2-CG 3.71Å; V99-K103 WeakPolarHBondContact O-CB 3.42Å; V99-K103 WeakPolarHBondContact O-CG 3.37Å; V99-K103 PolarHBondContact O-N 2.68Å; L100-K103 PolarHBondContact O-N 3.39Å; L100-K103 VanDerWaalsContact O-N 3.13Å; E101-K103 VanDerWaalsContact C-N 3.33Å; E101-K103 PolarHBondContact O-N 3.2Å; K103-L106 HydrophobicContact CD-CD2 4.28Å; K103-L106 WeakPolarHBondContact O-CB 3.26Å; K103-L106 PolarHBondContact O-N 3.24Å; K103-W107 HydrophobicContact CB-CH2 4.21Å; K103-W107 HydrophobicContact CB-CZ2 4.17Å; K103-W107 HydrophobicContact CB-CZ3 4.47Å; K103-W107 HydrophobicContact CD-CZ2 4.49Å; K103-W107 VanDerWaalsContact O-CD2 3.3Å; K103-W107 VanDerWaalsContact O-CG 3.26Å; K103-W107 PolarHBondContact O-N 2.95Å
104	L	97.3	Very high	93.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-45.8	174.3	-74.2	168.8	0	0	0	110.9	W12 V72 I79 V81 L100 E101 L106 W107 Y108	W12-L104 HydrophobicContact CB-CD2 4.2Å; V72-L104 HydrophobicContact CG1-CD1 3.84Å; I79-L104 HydrophobicContact CB-CB 4.28Å; I79-L104 HydrophobicContact CD1-CB 4.02Å; I79-L104 HydrophobicContact CG2-CB 3.94Å; I79-L104 HydrophobicContact CG2-CD1 3.97Å; V81-L104 HydrophobicContact CG2-CD1 3.84Å; L100-L104 HydrophobicContact CD1-CD1 4.08Å; L100-L104 HydrophobicContact CD1-CG 4Å; L100-L104 HydrophobicContact CD2-CD1 4.37Å; L100-L104 HydrophobicContact CG-CD1 3.82Å; L100-L104 HydrophobicContact CG-CG 4.22Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 2.93Å; E101-L104 PolarHBondContact O-N 2.82Å; L104-L106 PolarHBondContact O-N 3.46Å; L104-W107 HydrophobicContact CD2-CE3 4.06Å; L104-W107 HydrophobicContact CD2-CZ3 4.16Å; L104-W107 PolarHBondContact O-N 2.87Å; L104-Y108 VanDerWaalsContact O-CB 3.27Å; L104-Y108 WeakPolarHBondContact O-CB 3.46Å; L104-Y108 PolarHBondContact O-N 3.28Å
105	N	97.5	Very high	92.8	Very high	37 Å²	37	58.5 Å²	58.5	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-39.8	175.7	-79.1	-72.2	0	0	0	112.5	R78 I79 E101 Q102 Y108 S109	R78-N105 WeakPolarHBondContact CA-OD1 3.32Å; I79-N105 PolarHBondContact N-OD1 3.44Å; I79-N105 PolarHBondContact O-ND2 2.78Å; E101-N105 PolarHBondContact O-N 3.24Å; E101-N105 PolarHBondContact O-ND2 3.34Å; Q102-N105 PolarHBondContact O-N 2.84Å; N105-Y108 PolarHBondContact O-N 3.24Å; N105-S109 WeakPolarHBondContact O-CB 3.49Å; N105-S109 PolarHBondContact O-N 3.31Å; N105-S109 PolarHBondContact O-OG 3.26Å
106	L	96.6	Very high	92.2	Very high	86 Å²	86	56.8 Å²	56.8	45%	0.45	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-52.5	173.8	178.3	64.6	0	0	0	110.9	Q102 K103 L104 Y108 S109 C110	Q102-L106 WeakPolarHBondContact O-CB 3.28Å; Q102-L106 PolarHBondContact O-N 2.9Å; K103-L106 HydrophobicContact CD-CD2 4.28Å; K103-L106 WeakPolarHBondContact O-CB 3.26Å; K103-L106 PolarHBondContact O-N 3.24Å; L104-L106 PolarHBondContact O-N 3.46Å; L106-Y108 VanDerWaalsContact C-N 3.32Å; L106-Y108 PolarHBondContact O-N 3.44Å; L106-S109 PolarHBondContact O-N 3.49Å; L106-S109 PolarHBondContact O-OG 2.89Å; L106-C110 PolarHBondContact O-N 3.33Å; L106-C110 VanDerWaalsContact O-N 3.15Å; L106-C110 PolarHBondContact O-SG 3.44Å
107	W	95.5	Very high	91.5	Very high	29 Å²	29	59.2 Å²	59.2	11%	0.11	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-39.8	179.5	-66.4	-27.9	0	0	0	113	A8 I11 W12 V18 V19 K103 L104 C110 D111 A112	A8-W107 HydrophobicContact CB-CB 3.94Å; I11-W107 HydrophobicContact CB-CD2 4.21Å; I11-W107 HydrophobicContact CB-CE3 3.84Å; I11-W107 HydrophobicContact CB-CH2 4.35Å; I11-W107 HydrophobicContact CB-CZ3 3.92Å; I11-W107 HydrophobicContact CD1-CB 3.97Å; I11-W107 HydrophobicContact CD1-CD2 3.8Å; I11-W107 HydrophobicContact CD1-CE3 4.16Å; I11-W107 HydrophobicContact CD1-CG 3.69Å; I11-W107 HydrophobicContact CG2-CD2 4.03Å; I11-W107 HydrophobicContact CG2-CE3 3.9Å; I11-W107 HydrophobicContact CG2-CH2 3.61Å; I11-W107 HydrophobicContact CG2-CZ2 3.72Å; I11-W107 HydrophobicContact CG2-CZ3 3.7Å; W12-W107 HydrophobicContact CB-CZ3 4.4Å; V18-W107 HydrophobicContact CG2-CH2 3.89Å; V18-W107 HydrophobicContact CG2-CZ2 3.62Å; V19-W107 HydrophobicContact CB-CH2 3.95Å; V19-W107 HydrophobicContact CB-CZ2 4.35Å; V19-W107 HydrophobicContact CG1-CH2 3.95Å; K103-W107 HydrophobicContact CB-CH2 4.21Å; K103-W107 HydrophobicContact CB-CZ2 4.17Å; K103-W107 HydrophobicContact CB-CZ3 4.47Å; K103-W107 HydrophobicContact CD-CZ2 4.49Å; K103-W107 VanDerWaalsContact O-CD2 3.3Å; K103-W107 VanDerWaalsContact O-CG 3.26Å; K103-W107 PolarHBondContact O-N 2.95Å; L104-W107 HydrophobicContact CD2-CE3 4.06Å; L104-W107 HydrophobicContact CD2-CZ3 4.16Å; L104-W107 PolarHBondContact O-N 2.87Å; W107-C110 PolarHBondContact O-N 3.24Å; W107-D111 PolarHBondContact O-N 2.84Å; W107-D111 VanDerWaalsContact O-N 3.16Å; W107-A112 HydrophobicContact CB-CB 3.92Å; W107-A112 HydrophobicContact CG-CB 4.15Å; W107-A112 PolarHBondContact O-N 3.28Å
108	Y	95.1	Very high	91.3	Very high	35 Å²	35	54.1 Å²	54.1	14%	0.137	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-42.7	174.7	177.5	-98.4	0	0	0	112	D2 R4 F5 K74 I79 L104 N105 L106 C110 D111	D2-Y108 WeakPolarHBondContact OD2-CE2 3.33Å; D2-Y108 PolarHBondContact OD2-OH 3.38Å; D2-Y108 VanDerWaalsContact OD2-OH 3.06Å; R4-Y108 HydrophobicContact CB-CD2 3.71Å; R4-Y108 HydrophobicContact CB-CE2 3.66Å; F5-Y108 HydrophobicContact CB-CD2 4.4Å; F5-Y108 HydrophobicContact CB-CE2 4.28Å; K74-Y108 HydrophobicContact CD-CE2 4.45Å; K74-Y108 WeakPolarHBondContact CE-OH 3.41Å; K74-Y108 PolarHBondContact NZ-OH 2.89Å; I79-Y108 HydrophobicContact CD1-CD2 4.21Å; I79-Y108 HydrophobicContact CD1-CG 4.12Å; I79-Y108 HydrophobicContact CG1-CG 4.49Å; L104-Y108 VanDerWaalsContact O-CB 3.27Å; L104-Y108 WeakPolarHBondContact O-CB 3.46Å; L104-Y108 PolarHBondContact O-N 3.28Å; N105-Y108 PolarHBondContact O-N 3.24Å; L106-Y108 VanDerWaalsContact C-N 3.32Å; L106-Y108 PolarHBondContact O-N 3.44Å; Y108-C110 VanDerWaalsContact C-N 3.33Å; Y108-C110 PolarHBondContact O-N 3.34Å; Y108-D111 PolarHBondContact O-N 2.96Å
109	S	94.8	Very high	91.2	Very high	84 Å²	84	49.5 Å²	49.5	59%	0.587	27%	0.267	S	S	*	.	H	α-helix	trans	-66.6	-32.4	-179.4	74.3	0	0	0	0	113.4	N105 L106	N105-S109 WeakPolarHBondContact O-CB 3.49Å; N105-S109 PolarHBondContact O-N 3.31Å; N105-S109 PolarHBondContact O-OG 3.26Å; L106-S109 PolarHBondContact O-N 3.49Å; L106-S109 PolarHBondContact O-OG 2.89Å
110	C	92.9	Very high	91	Very high	80 Å²	80	50.2 Å²	50.2	54%	0.541	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	9.9	-178.1	67.5	0	0	0	0	114.7	L106 W107 Y108 A112	L106-C110 PolarHBondContact O-N 3.33Å; L106-C110 VanDerWaalsContact O-N 3.15Å; L106-C110 PolarHBondContact O-SG 3.44Å; W107-C110 PolarHBondContact O-N 3.24Å; Y108-C110 VanDerWaalsContact C-N 3.33Å; Y108-C110 PolarHBondContact O-N 3.34Å; C110-A112 PolarHBondContact O-N 2.91Å
111	D	89.3	Confident	90.8	Very high	67 Å²	67	52 Å²	52	36%	0.358	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	44	-175.9	-168.8	33	0	0	0	112.5	W107 Y108 K113	W107-D111 PolarHBondContact O-N 2.84Å; W107-D111 VanDerWaalsContact O-N 3.16Å; Y108-D111 PolarHBondContact O-N 2.96Å; D111-K113 WeakPolarHBondContact OD1-CE 3.36Å; D111-K113 IonicContact OD1-NZ 3.06Å; D111-K113 WeakPolarHBondContact OD2-CE 3.24Å; D111-K113 IonicContact OD2-NZ 3.57Å; D111-K113 PolarHBondContact OD2-NZ 3.4Å
112	A	87.2	Confident	90.8	Very high	25 Å²	25	50.6 Å²	50.6	21%	0.207	28%	0.277	C	S	.	.			trans	-68.9	136.7	178.8	0	0	0	0	0	110.9	I11 W107 C110	I11-A112 HydrophobicContact CD1-CB 3.57Å; W107-A112 HydrophobicContact CB-CB 3.92Å; W107-A112 HydrophobicContact CG-CB 4.15Å; W107-A112 PolarHBondContact O-N 3.28Å; C110-A112 PolarHBondContact O-N 2.91Å
113	K	81.2	Confident	90.7	Very high	121 Å²	121	47.8 Å²	47.8	53%	0.526	27%	0.266	S	S	.	.			trans	-127.6	146.8	-175.9	-64.5	175.2	-171.1	166.3	0	111.5	A7 D111 N115	A7-K113 HydrophobicContact CB-CG 4.14Å; D111-K113 WeakPolarHBondContact OD1-CE 3.36Å; D111-K113 IonicContact OD1-NZ 3.06Å; D111-K113 WeakPolarHBondContact OD2-CE 3.24Å; D111-K113 IonicContact OD2-NZ 3.57Å; D111-K113 PolarHBondContact OD2-NZ 3.4Å; K113-N115 PolarHBondContact O-N 2.91Å
114	V	71.6	Confident	90.6	Very high	27 Å²	27	44 Å²	44	16%	0.164	25%	0.25	C	S	.	.			trans	-83.6	107.7	163.5	-178.3	0	0	0	0	107.9	I11 K15	I11-V114 VanDerWaalsContact CA-CG2 3.4Å; I11-V114 HydrophobicContact CB-CG2 3.99Å; I11-V114 HydrophobicContact CG1-CG2 3.5Å; I11-V114 VanDerWaalsContact CG1-CG2 3.5Å; K15-V114 HydrophobicContact CD-CG1 4.25Å; K15-V114 HydrophobicContact CD-CG2 4.44Å
115	N	76.3	Confident	90.5	Very high	54 Å²	54	46.7 Å²	46.7	29%	0.289	26%	0.26	S	S	.	.			trans	-78	-43	175.5	-66.2	-8.6	0	0	0	111.7	K113 E299	K113-N115 PolarHBondContact O-N 2.91Å; N115-E299 WeakPolarHBondContact ND2-CG 3.49Å; N115-E299 PolarHBondContact ND2-OE2 3.4Å; N115-E299 VanDerWaalsContact ND2-OE2 3.12Å
116	I	83.6	Confident	90.4	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.062	28%	0.275	C	S	.	.	S	Bend	trans	-144.6	121.7	-173.7	-52	172.3	0	0	0	108.3	K15 I297 V323 A325 I334	K15-I116 WeakPolarHBondContact CE-O 3.43Å; K15-I116 PolarHBondContact NZ-O 3.49Å; I116-I297 HydrophobicContact CD1-CD1 3.87Å; I116-I297 HydrophobicContact CD1-CG1 4.05Å; I116-I297 HydrophobicContact CD1-CG2 3.89Å; I116-I297 HydrophobicContact CG1-CG1 4.47Å; I116-I297 HydrophobicContact CG1-CG2 4.05Å; I116-V323 HydrophobicContact CD1-CG1 3.86Å; I116-V323 HydrophobicContact CG1-CG1 4.44Å; I116-V323 HydrophobicContact CG2-CG1 3.95Å; I116-A325 HydrophobicContact CG2-CB 4.26Å; I116-I334 HydrophobicContact CB-CD1 4.32Å; I116-I334 HydrophobicContact CD1-CB 4.4Å; I116-I334 HydrophobicContact CD1-CD1 3.7Å; I116-I334 HydrophobicContact CD1-CG1 3.87Å; I116-I334 HydrophobicContact CD1-CG2 3.64Å; I116-I334 HydrophobicContact CG2-CD1 4.4Å
117	P	82.8	Confident	90.5	Very high	51 Å²	51	46.1 Å²	46.1	33%	0.331	25%	0.254	S	S	.	.			trans	-56.8	161.4	170.7	-23.5	34.7	0	0	0	112.1	A325	P117-A325 VanDerWaalsContact O-CB 3.29Å; P117-A325 WeakPolarHBondContact O-CB 3.43Å; P117-A325 PolarHBondContact O-N 3.4Å
118	S	90.9	Very high	90.5	Very high	18 Å²	18	45.4 Å²	45.4	13%	0.126	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-108.2	132.6	177.9	-65.3	0	0	0	0	110.7	S120 A325	S118-S120 VanDerWaalsContact C-N 3.29Å; S118-S120 PolarHBondContact O-N 3.18Å; S118-A325 VanDerWaalsContact CA-O 3.26Å; S118-A325 WeakPolarHBondContact CA-O 3.38Å; S118-A325 WeakPolarHBondContact CB-O 3.35Å
119	L	94.3	Very high	90.6	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	26%	0.261	C	S	.	.	S	Bend	trans	60.2	35.1	-179.3	-45.7	179.4	0	0	0	112.8	F24 L121 I122 Y127 Y165 D324 A325 R327	F24-L119 HydrophobicContact CE1-CD1 3.84Å; F24-L119 HydrophobicContact CZ-CD1 4Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 2.9Å; L119-I122 HydrophobicContact CB-CD1 4.45Å; L119-I122 HydrophobicContact CB-CG1 4Å; L119-I122 HydrophobicContact CD2-CD1 4.17Å; L119-Y127 HydrophobicContact CD1-CD1 3.63Å; L119-Y127 HydrophobicContact CD1-CE1 3.97Å; L119-Y127 HydrophobicContact CD1-CG 4Å; L119-Y127 HydrophobicContact CD2-CD2 4.48Å; L119-Y127 HydrophobicContact CD2-CE1 4.46Å; L119-Y127 HydrophobicContact CD2-CE2 4.35Å; L119-Y165 HydrophobicContact CD2-CD2 3.91Å; L119-Y165 HydrophobicContact CD2-CE2 4.13Å; L119-D324 WeakPolarHBondContact CA-OD1 3.31Å; L119-D324 WeakPolarHBondContact CA-OD2 3.3Å; L119-D324 PolarHBondContact N-OD1 3.35Å; L119-A325 PolarHBondContact N-O 3.41Å; L119-A325 VanDerWaalsContact N-O 3.1Å; L119-R327 HydrophobicContact CD1-CG 3.88Å; L119-R327 HydrophobicContact CD2-CG 4.12Å; L119-R327 HydrophobicContact CG-CG 3.97Å
120	S	92.7	Very high	90.8	Very high	66 Å²	66	44.6 Å²	44.6	46%	0.462	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-18.7	-178.5	50.1	0	0	0	0	114.5	S118 D324	S118-S120 VanDerWaalsContact C-N 3.29Å; S118-S120 PolarHBondContact O-N 3.18Å; S120-D324 VanDerWaalsContact N-CG 3.28Å; S120-D324 PolarHBondContact N-OD1 3.1Å; S120-D324 PolarHBondContact N-OD2 3.35Å; S120-D324 PolarHBondContact OG-OD1 2.68Å
121	L	95.2	Very high	91	Very high	38 Å²	38	43.1 Å²	43.1	20%	0.199	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-4	-179.3	-56	-179.8	0	0	0	113.6	L119 L169 E322 D324 V337	L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 2.9Å; L121-L169 HydrophobicContact CB-CD1 4.18Å; L121-E322 HydrophobicContact CD1-CB 3.69Å; L121-E322 HydrophobicContact CD2-CB 4.12Å; L121-D324 HydrophobicContact CD1-CB 3.81Å; L121-D324 HydrophobicContact CG-CB 3.85Å; L121-D324 PolarHBondContact N-OD2 3.32Å; L121-V337 HydrophobicContact CD1-CB 4.28Å; L121-V337 HydrophobicContact CD1-CG2 4.02Å
122	I	96.4	Very high	91.4	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.082	23%	0.228	C	C	.	.	S	Bend	trans	-135	163.2	-176	64.7	169.6	0	0	0	111.5	L119 C124 Y127 Y165 C168 L169	L119-I122 HydrophobicContact CB-CD1 4.45Å; L119-I122 HydrophobicContact CB-CG1 4Å; L119-I122 HydrophobicContact CD2-CD1 4.17Å; I122-C124 PolarHBondContact O-N 3.45Å; I122-Y127 HydrophobicContact CD1-CD2 3.35Å; I122-Y127 HydrophobicContact CD1-CE2 4.21Å; I122-Y127 HydrophobicContact CD1-CG 3.83Å; I122-Y165 HydrophobicContact CD1-CD2 3.4Å; I122-Y165 VanDerWaalsContact CD1-CD2 3.4Å; I122-Y165 HydrophobicContact CD1-CE2 3.72Å; I122-Y165 HydrophobicContact CD1-CG 4.13Å; I122-Y165 HydrophobicContact CG1-CD2 4.17Å; I122-Y165 HydrophobicContact CG1-CE2 3.96Å; I122-Y165 HydrophobicContact CG2-CE2 4.21Å; I122-C168 HydrophobicContact CB-CB 4.09Å; I122-C168 HydrophobicContact CD1-CB 3.91Å; I122-C168 HydrophobicContact CG2-CB 4.23Å; I122-L169 HydrophobicContact CG2-CB 3.85Å; I122-L169 HydrophobicContact CG2-CD1 3.85Å; I122-L169 HydrophobicContact CG2-CG 4.5Å
123	D	95.2	Very high	91.9	Very high	74 Å²	74	47.3 Å²	47.3	40%	0.396	23%	0.234	S	C	.	.			trans	-73.8	121.6	175.7	-176.1	-77.7	0	0	0	110.9	R125 Q126 Y127	D123-R125 VanDerWaalsContact C-N 3.33Å; D123-R125 PolarHBondContact O-N 3.05Å; D123-R125 WeakPolarHBondContact OD1-CA 3.38Å; D123-R125 WeakPolarHBondContact OD1-CB 3.12Å; D123-R125 PolarHBondContact OD1-N 2.79Å; D123-Q126 HydrophobicContact CB-CB 4.04Å; D123-Q126 HydrophobicContact CB-CG 3.99Å; D123-Q126 WeakPolarHBondContact OD1-CG 3.32Å; D123-Q126 PolarHBondContact OD1-N 2.95Å; D123-Y127 WeakPolarHBondContact O-CB 3.31Å; D123-Y127 PolarHBondContact O-N 3.4Å
124	C	95.1	Very high	92.7	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-64.3	-35.2	-177	-76.7	0	0	0	0	113	A25 Y41 I122 Q128	A25-C124 HydrophobicContact CB-CB 4.1Å; Y41-C124 HydrophobicContact CD1-CB 4.26Å; Y41-C124 HydrophobicContact CD2-CB 3.73Å; Y41-C124 HydrophobicContact CE1-CB 4.17Å; Y41-C124 HydrophobicContact CE2-CB 3.64Å; Y41-C124 HydrophobicContact CG-CB 4.05Å; I122-C124 PolarHBondContact O-N 3.45Å; C124-Q128 WeakPolarHBondContact O-CB 3.29Å; C124-Q128 PolarHBondContact O-N 2.68Å; C124-Q128 VanDerWaalsContact O-N 3.09Å
125	R	95.2	Very high	94	Very high	56 Å²	56	44.3 Å²	44.3	21%	0.211	22%	0.219	C	C	.	.	H	α-helix	trans	-71.5	-48.6	179.9	178.5	64.6	-175.1	-155.1	9.3	110.4	Y41 E50 D123 Y127 Q128 L129	Y41-R125 HydrophobicContact CD1-CB 3.98Å; Y41-R125 HydrophobicContact CE1-CB 3.87Å; E50-R125 WeakPolarHBondContact OE2-CD 3.39Å; E50-R125 IonicContact OE2-CZ 3.1Å; E50-R125 IonicContact OE2-NE 3.5Å; E50-R125 IonicContact OE2-NH1 3.26Å; E50-R125 PolarHBondContact OE2-NH1 3.12Å; D123-R125 VanDerWaalsContact C-N 3.33Å; D123-R125 PolarHBondContact O-N 3.05Å; D123-R125 WeakPolarHBondContact OD1-CA 3.38Å; D123-R125 WeakPolarHBondContact OD1-CB 3.12Å; D123-R125 PolarHBondContact OD1-N 2.79Å; R125-Y127 VanDerWaalsContact C-N 3.33Å; R125-Y127 PolarHBondContact O-N 3.43Å; R125-Q128 PolarHBondContact O-N 3.34Å; R125-Q128 VanDerWaalsContact O-N 3.17Å; R125-L129 HydrophobicContact CG-CD1 4.14Å; R125-L129 WeakPolarHBondContact O-CG 3.27Å; R125-L129 PolarHBondContact O-N 2.81Å
126	Q	96.3	Very high	95	Very high	108 Å²	108	46.7 Å²	46.7	51%	0.505	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-42.8	177.4	-64	-53.8	-40	0	0	111.2	D123 Q128 L129 Q130	D123-Q126 HydrophobicContact CB-CB 4.04Å; D123-Q126 HydrophobicContact CB-CG 3.99Å; D123-Q126 WeakPolarHBondContact OD1-CG 3.32Å; D123-Q126 PolarHBondContact OD1-N 2.95Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 3.23Å; Q126-L129 PolarHBondContact O-N 3.31Å; Q126-Q130 WeakPolarHBondContact O-CB 3.31Å; Q126-Q130 PolarHBondContact O-N 2.89Å
127	Y	97.8	Very high	95.7	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-44.6	174.3	-179.5	-86.8	0	0	0	111.8	F24 L119 I122 D123 R125 Q130 Y131 G161 C164 Y165 C168 R327	F24-Y127 HydrophobicContact CE1-CD1 4.22Å; F24-Y127 AromaticContact CZ-CD1 3.58Å; F24-Y127 HydrophobicContact CZ-CD1 3.58Å; F24-Y127 AromaticContact CZ-CE1 3.91Å; F24-Y127 HydrophobicContact CZ-CE1 3.91Å; L119-Y127 HydrophobicContact CD1-CD1 3.63Å; L119-Y127 HydrophobicContact CD1-CE1 3.97Å; L119-Y127 HydrophobicContact CD1-CG 4Å; L119-Y127 HydrophobicContact CD2-CD2 4.48Å; L119-Y127 HydrophobicContact CD2-CE1 4.46Å; L119-Y127 HydrophobicContact CD2-CE2 4.35Å; I122-Y127 HydrophobicContact CD1-CD2 3.35Å; I122-Y127 HydrophobicContact CD1-CE2 4.21Å; I122-Y127 HydrophobicContact CD1-CG 3.83Å; D123-Y127 WeakPolarHBondContact O-CB 3.31Å; D123-Y127 PolarHBondContact O-N 3.4Å; R125-Y127 VanDerWaalsContact C-N 3.33Å; R125-Y127 PolarHBondContact O-N 3.43Å; Y127-Q130 PolarHBondContact O-N 3.42Å; Y127-Y131 WeakPolarHBondContact O-CB 3.16Å; Y127-Y131 PolarHBondContact O-N 3.45Å; Y127-G161 PolarHBondContact OH-O 3.17Å; Y127-C164 HydrophobicContact CD2-CB 4.18Å; Y127-C164 WeakPolarHBondContact CD2-SG 3.3Å; Y127-C164 HydrophobicContact CE2-CB 3.78Å; Y127-C164 PolarHBondContact O-SG 3.12Å; Y127-Y165 HydrophobicContact CE2-CD2 4.48Å; Y127-C168 VanDerWaalsContact CA-SG 3.52Å; Y127-R327 HydrophobicContact CE1-CB 4.34Å
128	Q	97	Very high	96.4	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.065	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-46.5	-179.2	-173.9	173.2	-159.3	0	0	112.2	F24 P42 L44 C124 R125 Q126 E132	F24-Q128 HydrophobicContact CD1-CB 4.05Å; F24-Q128 HydrophobicContact CD1-CG 4.32Å; F24-Q128 HydrophobicContact CD2-CB 4.11Å; F24-Q128 HydrophobicContact CD2-CG 3.61Å; F24-Q128 VanDerWaalsContact CD2-OE1 3.26Å; F24-Q128 HydrophobicContact CE1-CB 3.9Å; F24-Q128 HydrophobicContact CE1-CG 4.47Å; F24-Q128 HydrophobicContact CE2-CB 3.96Å; F24-Q128 HydrophobicContact CE2-CG 3.77Å; F24-Q128 HydrophobicContact CG-CB 4.2Å; F24-Q128 HydrophobicContact CG-CG 3.96Å; F24-Q128 HydrophobicContact CZ-CB 3.91Å; F24-Q128 HydrophobicContact CZ-CG 4.25Å; P42-Q128 PolarHBondContact O-NE2 2.72Å; L44-Q128 HydrophobicContact CD1-CG 3.78Å; L44-Q128 HydrophobicContact CD2-CG 4.4Å; L44-Q128 HydrophobicContact CG-CG 3.73Å; C124-Q128 WeakPolarHBondContact O-CB 3.29Å; C124-Q128 PolarHBondContact O-N 2.68Å; C124-Q128 VanDerWaalsContact O-N 3.09Å; R125-Q128 PolarHBondContact O-N 3.34Å; R125-Q128 VanDerWaalsContact O-N 3.17Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 3.23Å; Q128-E132 PolarHBondContact O-N 3.17Å; Q128-E132 VanDerWaalsContact O-N 3.14Å
129	L	97.4	Very high	96.7	Very high	65 Å²	65	47.4 Å²	47.4	34%	0.34	23%	0.233	S	C	.	.	H	α-helix	trans	-62.9	-46.9	177.4	-68.6	168.4	0	0	0	111.5	L44 R125 Q126 Y131 E132 R133	L44-L129 HydrophobicContact CD1-CD2 3.88Å; L44-L129 HydrophobicContact CD2-CD2 3.85Å; R125-L129 HydrophobicContact CG-CD1 4.14Å; R125-L129 WeakPolarHBondContact O-CG 3.27Å; R125-L129 PolarHBondContact O-N 2.81Å; Q126-L129 PolarHBondContact O-N 3.31Å; L129-Y131 VanDerWaalsContact C-N 3.35Å; L129-Y131 PolarHBondContact O-N 2.91Å; L129-E132 PolarHBondContact O-N 3.26Å; L129-R133 PolarHBondContact O-N 2.91Å
130	Q	97.8	Very high	96.8	Very high	38 Å²	38	51.4 Å²	51.4	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-38.3	-178.8	-174.4	71.1	-18.2	0	0	111.6	Q126 Y127 R133 L134 I167	Q126-Q130 WeakPolarHBondContact O-CB 3.31Å; Q126-Q130 PolarHBondContact O-N 2.89Å; Y127-Q130 PolarHBondContact O-N 3.42Å; Q130-R133 VanDerWaalsContact CD-NH2 3.29Å; Q130-R133 PolarHBondContact O-N 3.47Å; Q130-L134 HydrophobicContact CG-CD1 4.07Å; Q130-L134 HydrophobicContact CG-CG 4.4Å; Q130-L134 WeakPolarHBondContact O-CB 3.4Å; Q130-L134 VanDerWaalsContact O-CG 3.28Å; Q130-L134 WeakPolarHBondContact O-CG 3.29Å; Q130-L134 PolarHBondContact O-N 3.07Å; Q130-I167 HydrophobicContact CG-CG2 4.5Å
131	Y	98.1	Very high	96.9	Very high	48 Å²	48	52.3 Å²	52.3	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-44.1	177.2	-176.8	-95.5	0	0	0	111.1	Y127 L129 L134 K135 I160 C164	Y127-Y131 WeakPolarHBondContact O-CB 3.16Å; Y127-Y131 PolarHBondContact O-N 3.45Å; L129-Y131 VanDerWaalsContact C-N 3.35Å; L129-Y131 PolarHBondContact O-N 2.91Å; Y131-L134 PolarHBondContact O-N 3.5Å; Y131-K135 HydrophobicContact CE1-CD 4.07Å; Y131-K135 WeakPolarHBondContact O-CB 3.5Å; Y131-K135 PolarHBondContact O-N 3.17Å; Y131-I160 HydrophobicContact CD2-CG2 4.05Å; Y131-I160 HydrophobicContact CE2-CG2 3.86Å; Y131-C164 HydrophobicContact CD2-CB 4.27Å; Y131-C164 PolarHBondContact N-SG 3.24Å
132	E	97.3	Very high	96.9	Very high	90 Å²	90	51.2 Å²	51.2	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-44.9	176.2	-176.2	168.9	-128.2	0	0	111.5	L44 Q128 L129 K135 N136	L44-E132 HydrophobicContact CD1-CB 4.17Å; L44-E132 WeakPolarHBondContact CD1-OE2 3.38Å; Q128-E132 PolarHBondContact O-N 3.17Å; Q128-E132 VanDerWaalsContact O-N 3.14Å; L129-E132 PolarHBondContact O-N 3.26Å; E132-K135 PolarHBondContact O-N 3.35Å; E132-N136 WeakPolarHBondContact O-CB 3.3Å; E132-N136 VanDerWaalsContact O-CG 3.25Å; E132-N136 PolarHBondContact O-N 3.49Å; E132-N136 PolarHBondContact O-ND2 3.37Å
133	R	98.2	Very high	96.8	Very high	90 Å²	90	52.1 Å²	52.1	34%	0.34	26%	0.263	S	S	.	.	H	α-helix	trans	-58.3	-55.4	175.8	-172	-172.1	66.4	81.5	6	111.4	L129 Q130 K135 N136 T137 E194	L129-R133 PolarHBondContact O-N 2.91Å; Q130-R133 VanDerWaalsContact CD-NH2 3.29Å; Q130-R133 PolarHBondContact O-N 3.47Å; R133-K135 VanDerWaalsContact C-N 3.31Å; R133-K135 PolarHBondContact O-N 2.92Å; R133-N136 PolarHBondContact O-N 3.18Å; R133-T137 WeakPolarHBondContact O-CB 3.32Å; R133-T137 PolarHBondContact O-N 2.62Å; R133-T137 PolarHBondContact O-OG1 3.24Å; R133-E194 IonicContact CZ-OE1 2.68Å; R133-E194 IonicContact CZ-OE2 3.91Å; R133-E194 VanDerWaalsContact CZ-OE2 3.31Å; R133-E194 IonicContact NH1-OE1 3.99Å; R133-E194 PolarHBondContact NH1-OE1 3.45Å; R133-E194 VanDerWaalsContact NH1-OE1 3.15Å; R133-E194 IonicContact NH1-OE2 2.81Å; R133-E194 PolarHBondContact NH1-OE2 3.24Å; R133-E194 VanDerWaalsContact NH1-OE2 3.14Å; R133-E194 VanDerWaalsContact NH2-CD 3.32Å; R133-E194 IonicContact NH2-OE1 3.24Å; R133-E194 IonicContact NH2-OE2 3.25Å; R133-E194 PolarHBondContact NH2-OE2 3.05Å
134	L	98.4	Very high	96.7	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-39.5	-178.9	-67.5	176.1	0	0	0	111.8	Q130 Y131 N136 T137 Y138 I160 C164 I167 I190 E194	Q130-L134 HydrophobicContact CG-CD1 4.07Å; Q130-L134 HydrophobicContact CG-CG 4.4Å; Q130-L134 WeakPolarHBondContact O-CB 3.4Å; Q130-L134 VanDerWaalsContact O-CG 3.28Å; Q130-L134 WeakPolarHBondContact O-CG 3.29Å; Q130-L134 PolarHBondContact O-N 3.07Å; Y131-L134 PolarHBondContact O-N 3.5Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 3.03Å; L134-T137 PolarHBondContact O-N 2.92Å; L134-Y138 HydrophobicContact CB-CD2 4.35Å; L134-Y138 HydrophobicContact CD2-CD2 3.95Å; L134-Y138 HydrophobicContact CD2-CE2 3.53Å; L134-Y138 WeakPolarHBondContact O-CD2 3.3Å; L134-Y138 PolarHBondContact O-N 3.39Å; L134-I160 HydrophobicContact CB-CG2 3.83Å; L134-C164 HydrophobicContact CD1-CB 3.82Å; L134-I167 HydrophobicContact CD1-CD1 4.07Å; L134-I190 HydrophobicContact CD2-CG2 4.36Å; L134-E194 HydrophobicContact CD2-CG 3.88Å; L134-E194 WeakPolarHBondContact CD2-OE1 3.24Å
135	K	97.4	Very high	96.5	Very high	85 Å²	85	61.4 Å²	61.4	37%	0.37	30%	0.303	S	S	.	.	H	α-helix	trans	-58.5	-44.7	175.7	-177.6	-177.2	176.2	-172.3	0	111.5	Y131 E132 R133 G139 P140 Y157	Y131-K135 HydrophobicContact CE1-CD 4.07Å; Y131-K135 WeakPolarHBondContact O-CB 3.5Å; Y131-K135 PolarHBondContact O-N 3.17Å; E132-K135 PolarHBondContact O-N 3.35Å; R133-K135 VanDerWaalsContact C-N 3.31Å; R133-K135 PolarHBondContact O-N 2.92Å; K135-G139 VanDerWaalsContact O-CA 3.26Å; K135-G139 WeakPolarHBondContact O-CA 3.3Å; K135-G139 PolarHBondContact O-N 3.35Å; K135-P140 WeakPolarHBondContact O-CD 3.34Å; K135-Y157 HydrophobicContact CD-CE1 4.39Å; K135-Y157 HydrophobicContact CG-CD1 4.12Å; K135-Y157 HydrophobicContact CG-CE1 3.74Å
136	N	97.6	Very high	96.3	Very high	105 Å²	105	60.1 Å²	60.1	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-73	-38.3	-180	-68.3	-22.2	0	0	0	112	E132 R133 L134 P140	E132-N136 WeakPolarHBondContact O-CB 3.3Å; E132-N136 VanDerWaalsContact O-CG 3.25Å; E132-N136 PolarHBondContact O-N 3.49Å; E132-N136 PolarHBondContact O-ND2 3.37Å; R133-N136 PolarHBondContact O-N 3.18Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 3.03Å; N136-P140 WeakPolarHBondContact O-CD 3.4Å
137	T	98	Very high	96	Very high	74 Å²	74	58.1 Å²	58.1	45%	0.454	30%	0.296	S	S	.	.	H	α-helix	trans	-68.5	-49.5	179.6	-59.1	0	0	0	0	112.5	R133 L134	R133-T137 WeakPolarHBondContact O-CB 3.32Å; R133-T137 PolarHBondContact O-N 2.62Å; R133-T137 PolarHBondContact O-OG1 3.24Å; L134-T137 PolarHBondContact O-N 2.92Å
138	Y	97.7	Very high	95.6	Very high	22 Å²	22	60 Å²	60	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-103.7	-33.4	-169.4	-61.9	-79.3	0	0	0	113.4	L134 T141 L142 Y189 I190 S193 E194	L134-Y138 HydrophobicContact CB-CD2 4.35Å; L134-Y138 HydrophobicContact CD2-CD2 3.95Å; L134-Y138 HydrophobicContact CD2-CE2 3.53Å; L134-Y138 WeakPolarHBondContact O-CD2 3.3Å; L134-Y138 PolarHBondContact O-N 3.39Å; Y138-T141 PolarHBondContact O-N 3.43Å; Y138-L142 VanDerWaalsContact O-CB 3.31Å; Y138-L142 WeakPolarHBondContact O-CB 3.36Å; Y138-L142 VanDerWaalsContact O-CG 3.27Å; Y138-L142 WeakPolarHBondContact O-CG 3.42Å; Y138-L142 PolarHBondContact O-N 2.91Å; Y138-Y189 HydrophobicContact CD1-CE1 4.47Å; Y138-I190 HydrophobicContact CD2-CG2 4.35Å; Y138-I190 HydrophobicContact CE2-CG2 4.14Å; Y138-I190 HydrophobicContact CG-CG1 4.43Å; Y138-S193 VanDerWaalsContact OH-CB 3.31Å; Y138-S193 WeakPolarHBondContact OH-CB 3.28Å; Y138-E194 HydrophobicContact CE2-CG 4.39Å; Y138-E194 WeakPolarHBondContact CE2-OE1 3.42Å; Y138-E194 VanDerWaalsContact CZ-OE1 3.31Å; Y138-E194 PolarHBondContact OH-OE1 3.34Å
139	G	96.9	Very high	95.1	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-54.8	-57.7	-169.8	0	0	0	0	0	114.5	K135 T141 L142 V143	K135-G139 VanDerWaalsContact O-CA 3.26Å; K135-G139 WeakPolarHBondContact O-CA 3.3Å; K135-G139 PolarHBondContact O-N 3.35Å; G139-T141 PolarHBondContact O-N 3.49Å; G139-L142 PolarHBondContact O-N 2.98Å; G139-V143 WeakPolarHBondContact O-CB 3.26Å; G139-V143 VanDerWaalsContact O-CG2 3.31Å; G139-V143 WeakPolarHBondContact O-CG2 3.38Å; G139-V143 PolarHBondContact O-N 3.11Å
140	P	96.4	Very high	94.5	Very high	85 Å²	85	69.1 Å²	69.1	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-57	-46	-175.8	-26.3	34.7	0	0	0	113.4	K135 N136 K144	K135-P140 WeakPolarHBondContact O-CD 3.34Å; N136-P140 WeakPolarHBondContact O-CD 3.4Å; P140-K144 VanDerWaalsContact O-CB 3.29Å; P140-K144 WeakPolarHBondContact O-CB 3.43Å; P140-K144 PolarHBondContact O-N 3.29Å; P140-K144 VanDerWaalsContact O-N 3.17Å
141	T	94.6	Very high	94.1	Very high	85 Å²	85	71.6 Å²	71.6	52%	0.521	36%	0.361	S	S	.	.	H	α-helix	trans	-69.2	-44.5	-178	-57	0	0	0	0	111.6	Y138 G139 K144 N145	Y138-T141 PolarHBondContact O-N 3.43Å; G139-T141 PolarHBondContact O-N 3.49Å; T141-K144 PolarHBondContact O-N 3.3Å; T141-N145 WeakPolarHBondContact O-CB 3.4Å; T141-N145 PolarHBondContact O-N 2.76Å; T141-N145 PolarHBondContact O-ND2 3.01Å
142	L	95.4	Very high	93.8	Very high	15 Å²	15	70.9 Å²	70.9	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-66.8	-43	-179.4	-75.3	173.4	0	0	0	112.8	Y138 G139 N145 W146 V156 L186 Y189 Y212	Y138-L142 VanDerWaalsContact O-CB 3.31Å; Y138-L142 WeakPolarHBondContact O-CB 3.36Å; Y138-L142 VanDerWaalsContact O-CG 3.27Å; Y138-L142 WeakPolarHBondContact O-CG 3.42Å; Y138-L142 PolarHBondContact O-N 2.91Å; G139-L142 PolarHBondContact O-N 2.98Å; L142-N145 PolarHBondContact O-N 3.14Å; L142-W146 PolarHBondContact O-N 3.07Å; L142-W146 VanDerWaalsContact O-N 3.12Å; L142-V156 HydrophobicContact CB-CG1 3.75Å; L142-V156 HydrophobicContact CB-CG2 3.95Å; L142-V156 HydrophobicContact CD1-CG1 3.91Å; L142-L186 HydrophobicContact CD1-CD1 3.39Å; L142-L186 HydrophobicContact CD1-CD2 4.25Å; L142-L186 HydrophobicContact CD1-CG 4.44Å; L142-L186 HydrophobicContact CD2-CD1 3.75Å; L142-L186 HydrophobicContact CG-CD1 4.22Å; L142-Y189 HydrophobicContact CD2-CD1 4.17Å; L142-Y189 HydrophobicContact CD2-CE1 3.86Å; L142-Y212 HydrophobicContact CD2-CE1 4.4Å
143	V	94.7	Very high	93.6	Very high	36 Å²	36	71.4 Å²	71.4	22%	0.218	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-44.2	178.1	169.6	0	0	0	0	110.5	G139 N145 P152 M153 V156 Y157	G139-V143 WeakPolarHBondContact O-CB 3.26Å; G139-V143 VanDerWaalsContact O-CG2 3.31Å; G139-V143 WeakPolarHBondContact O-CG2 3.38Å; G139-V143 PolarHBondContact O-N 3.11Å; V143-N145 VanDerWaalsContact C-N 3.35Å; V143-N145 PolarHBondContact O-N 3.18Å; V143-P152 HydrophobicContact CB-CB 4.43Å; V143-P152 HydrophobicContact CG1-CB 4.15Å; V143-P152 HydrophobicContact CG1-CG 4.32Å; V143-P152 HydrophobicContact CG2-CB 4.41Å; V143-M153 HydrophobicContact CG1-SD 3.96Å; V143-M153 HydrophobicContact CG2-SD 4.24Å; V143-V156 HydrophobicContact CG2-CB 4.04Å; V143-V156 HydrophobicContact CG2-CG1 4.07Å; V143-V156 HydrophobicContact CG2-CG2 4.07Å; V143-Y157 HydrophobicContact CG2-CE2 4.45Å
144	K	93.3	Very high	93.2	Very high	177 Å²	177	71 Å²	71	77%	0.77	37%	0.366	S	S	*	.	H	α-helix	trans	-63.5	-39.4	179.9	-177.1	-179.8	177.4	-177.7	0	112.6	P140 T141	P140-K144 VanDerWaalsContact O-CB 3.29Å; P140-K144 WeakPolarHBondContact O-CB 3.43Å; P140-K144 PolarHBondContact O-N 3.29Å; P140-K144 VanDerWaalsContact O-N 3.17Å; T141-K144 PolarHBondContact O-N 3.3Å
145	N	90.7	Very high	93	Very high	94 Å²	94	73.8 Å²	73.8	50%	0.503	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13.4	-174	-62.9	-27	0	0	0	113.3	T141 L142 V143 S147	T141-N145 WeakPolarHBondContact O-CB 3.4Å; T141-N145 PolarHBondContact O-N 2.76Å; T141-N145 PolarHBondContact O-ND2 3.01Å; L142-N145 PolarHBondContact O-N 3.14Å; V143-N145 VanDerWaalsContact C-N 3.35Å; V143-N145 PolarHBondContact O-N 3.18Å; N145-S147 PolarHBondContact O-N 3.4Å; N145-S147 VanDerWaalsContact O-N 3.16Å
146	W	92.3	Very high	92.9	Very high	30 Å²	30	69.8 Å²	69.8	11%	0.114	36%	0.361	C	S	.	.			trans	-65.4	115.2	-176.8	-164.3	-107.4	0	0	0	111.6	L142 E148 T150 P152 F155 V156 L186 I208	L142-W146 PolarHBondContact O-N 3.07Å; L142-W146 VanDerWaalsContact O-N 3.12Å; W146-E148 HydrophobicContact CZ2-CB 4.23Å; W146-E148 HydrophobicContact CZ2-CG 4.43Å; W146-T150 PolarHBondContact NE1-O 2.89Å; W146-T150 VanDerWaalsContact NE1-O 3.14Å; W146-T150 PolarHBondContact NE1-OG1 3.35Å; W146-P152 HydrophobicContact CB-CB 3.68Å; W146-P152 HydrophobicContact CB-CG 4.36Å; W146-P152 HydrophobicContact CD2-CB 4.18Å; W146-P152 HydrophobicContact CG-CB 3.61Å; W146-P152 HydrophobicContact CG-CG 4.44Å; W146-F155 HydrophobicContact CH2-CB 4.12Å; W146-F155 HydrophobicContact CZ2-CB 3.78Å; W146-F155 HydrophobicContact CZ2-CG 4.48Å; W146-V156 HydrophobicContact CD2-CG2 4.3Å; W146-V156 HydrophobicContact CE3-CG2 3.63Å; W146-V156 HydrophobicContact CH2-CG2 4.43Å; W146-V156 HydrophobicContact CZ3-CG2 3.72Å; W146-L186 HydrophobicContact CH2-CD2 4.26Å; W146-L186 HydrophobicContact CZ3-CD2 3.96Å; W146-I208 HydrophobicContact CD2-CD1 4Å; W146-I208 HydrophobicContact CE3-CD1 3.38Å; W146-I208 HydrophobicContact CH2-CD1 4.02Å; W146-I208 HydrophobicContact CZ3-CD1 3.38Å
147	S	90	Very high	92.9	Very high	65 Å²	65	66.9 Å²	66.9	46%	0.455	34%	0.343	S	S	.	.			trans	-100.2	-4.1	-176.8	65.4	0	0	0	0	114.2	N145 I208	N145-S147 PolarHBondContact O-N 3.4Å; N145-S147 VanDerWaalsContact O-N 3.16Å; S147-I208 VanDerWaalsContact OG-CA 3.28Å; S147-I208 WeakPolarHBondContact OG-CA 3.26Å; S147-I208 WeakPolarHBondContact OG-CB 3.36Å; S147-I208 PolarHBondContact OG-N 2.84Å
148	E	88.9	Confident	92.8	Very high	42 Å²	42	63.8 Å²	63.8	20%	0.196	32%	0.323	C	S	.	.	S	Bend	trans	-86.4	159.2	179.6	-61	-60.5	149.2	0	0	111.2	W146 T150 H207 I208	W146-E148 HydrophobicContact CZ2-CB 4.23Å; W146-E148 HydrophobicContact CZ2-CG 4.43Å; E148-T150 PolarHBondContact O-N 2.73Å; E148-H207 PolarHBondContact OE1-N 3.44Å; E148-H207 VanDerWaalsContact OE1-N 3.13Å; E148-I208 HydrophobicContact CG-CB 3.96Å; E148-I208 HydrophobicContact CG-CD1 4.45Å; E148-I208 HydrophobicContact CG-CG2 4.01Å; E148-I208 WeakPolarHBondContact OE1-CB 3.31Å; E148-I208 WeakPolarHBondContact OE1-CG2 3.4Å; E148-I208 PolarHBondContact OE1-N 2.84Å
149	K	85.6	Confident	92.8	Very high	216 Å²	216	63 Å²	63	94%	0.939	32%	0.321	S	S	*	.	S	Bend	trans	-72.4	-11.4	-178.8	-65.8	-176.6	-179.7	177.7	0	114.1
150	T	86	Confident	92.9	Very high	55 Å²	55	63 Å²	63	34%	0.337	32%	0.321	S	S	.	.	S	Bend	trans	-78.8	159.1	-177.4	50.1	0	0	0	0	111.5	W146 E148 P152 F155	W146-T150 PolarHBondContact NE1-O 2.89Å; W146-T150 VanDerWaalsContact NE1-O 3.14Å; W146-T150 PolarHBondContact NE1-OG1 3.35Å; E148-T150 PolarHBondContact O-N 2.73Å; T150-P152 VanDerWaalsContact O-CD 3.3Å; T150-P152 WeakPolarHBondContact O-CD 3.45Å; T150-F155 VanDerWaalsContact CB-CE2 3.43Å; T150-F155 HydrophobicContact CG2-CD2 4.25Å; T150-F155 HydrophobicContact CG2-CE1 4.22Å; T150-F155 HydrophobicContact CG2-CE2 3.7Å; T150-F155 HydrophobicContact CG2-CZ 3.66Å
151	D	88.3	Confident	92.9	Very high	90 Å²	90	59 Å²	59	48%	0.481	30%	0.295	S	S	.	.			trans	-66.5	113.9	177.1	176	7.7	0	0	0	111.1	M153 K154 F155	D151-M153 PolarHBondContact O-N 3.29Å; D151-M153 WeakPolarHBondContact OD1-CB 3.45Å; D151-M153 PolarHBondContact OD1-N 3.4Å; D151-K154 HydrophobicContact CB-CB 4.26Å; D151-K154 PolarHBondContact O-N 2.93Å; D151-K154 VanDerWaalsContact O-N 3.15Å; D151-F155 WeakPolarHBondContact O-CD2 3.48Å; D151-F155 PolarHBondContact O-N 2.88Å; D151-F155 VanDerWaalsContact O-N 3.12Å
152	P	92.7	Very high	93.1	Very high	32 Å²	32	55 Å²	55	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-35.5	-179.9	23.1	-32.8	0	0	0	112.7	V143 W146 T150 K154 F155 V156	V143-P152 HydrophobicContact CB-CB 4.43Å; V143-P152 HydrophobicContact CG1-CB 4.15Å; V143-P152 HydrophobicContact CG1-CG 4.32Å; V143-P152 HydrophobicContact CG2-CB 4.41Å; W146-P152 HydrophobicContact CB-CB 3.68Å; W146-P152 HydrophobicContact CB-CG 4.36Å; W146-P152 HydrophobicContact CD2-CB 4.18Å; W146-P152 HydrophobicContact CG-CB 3.61Å; W146-P152 HydrophobicContact CG-CG 4.44Å; T150-P152 VanDerWaalsContact O-CD 3.3Å; T150-P152 WeakPolarHBondContact O-CD 3.45Å; P152-K154 PolarHBondContact O-N 3.33Å; P152-F155 PolarHBondContact O-N 2.88Å; P152-V156 HydrophobicContact CB-CG2 4.44Å; P152-V156 WeakPolarHBondContact O-CB 3.38Å; P152-V156 VanDerWaalsContact O-CG2 3.3Å; P152-V156 WeakPolarHBondContact O-CG2 3.36Å; P152-V156 PolarHBondContact O-N 3.38Å
153	M	92.7	Very high	93.3	Very high	101 Å²	101	54.2 Å²	54.2	50%	0.498	27%	0.266	S	S	.	.	H	α-helix	trans	-65.4	-30.6	-178.2	-66.5	-63.2	-70.9	0	0	111.3	V143 D151 Y157	V143-M153 HydrophobicContact CG1-SD 3.96Å; V143-M153 HydrophobicContact CG2-SD 4.24Å; D151-M153 PolarHBondContact O-N 3.29Å; D151-M153 WeakPolarHBondContact OD1-CB 3.45Å; D151-M153 PolarHBondContact OD1-N 3.4Å; M153-Y157 HydrophobicContact CE-CD2 4.46Å; M153-Y157 HydrophobicContact CE-CE2 3.64Å; M153-Y157 WeakPolarHBondContact O-CD2 3.22Å; M153-Y157 HydrophobicContact SD-CE2 3.81Å
154	K	90.2	Very high	93.5	Very high	81 Å²	81	52.5 Å²	52.5	35%	0.352	26%	0.256	S	S	.	.	H	α-helix	trans	-77.8	-57	174	-173	-174.2	172.9	-163.2	0	111.1	D151 P152 E158 P329	D151-K154 HydrophobicContact CB-CB 4.26Å; D151-K154 PolarHBondContact O-N 2.93Å; D151-K154 VanDerWaalsContact O-N 3.15Å; P152-K154 PolarHBondContact O-N 3.33Å; K154-E158 WeakPolarHBondContact CE-OE2 3.49Å; K154-E158 VanDerWaalsContact O-CB 3.24Å; K154-E158 WeakPolarHBondContact O-CB 3.36Å; K154-E158 PolarHBondContact O-N 3.48Å; K154-P329 WeakPolarHBondContact CE-O 3.09Å; K154-P329 HydrophobicContact CG-CG 4.44Å
155	F	92.7	Very high	93.7	Very high	60 Å²	60	44.1 Å²	44.1	26%	0.263	22%	0.219	S	C	.	.	H	α-helix	trans	-73.7	-37	-166.5	-76.5	-100	0	0	0	113.2	W146 T150 D151 P152 E158 D159	W146-F155 HydrophobicContact CH2-CB 4.12Å; W146-F155 HydrophobicContact CZ2-CB 3.78Å; W146-F155 HydrophobicContact CZ2-CG 4.48Å; T150-F155 VanDerWaalsContact CB-CE2 3.43Å; T150-F155 HydrophobicContact CG2-CD2 4.25Å; T150-F155 HydrophobicContact CG2-CE1 4.22Å; T150-F155 HydrophobicContact CG2-CE2 3.7Å; T150-F155 HydrophobicContact CG2-CZ 3.66Å; D151-F155 WeakPolarHBondContact O-CD2 3.48Å; D151-F155 PolarHBondContact O-N 2.88Å; D151-F155 VanDerWaalsContact O-N 3.12Å; P152-F155 PolarHBondContact O-N 2.88Å; F155-E158 PolarHBondContact O-N 3.44Å; F155-D159 PolarHBondContact O-N 3.14Å; F155-D159 VanDerWaalsContact O-N 3.09Å
156	V	96.4	Very high	94.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-47.5	178.9	173.7	0	0	0	0	111.1	L142 V143 W146 P152 E158 D159 I160 L186	L142-V156 HydrophobicContact CB-CG1 3.75Å; L142-V156 HydrophobicContact CB-CG2 3.95Å; L142-V156 HydrophobicContact CD1-CG1 3.91Å; V143-V156 HydrophobicContact CG2-CB 4.04Å; V143-V156 HydrophobicContact CG2-CG1 4.07Å; V143-V156 HydrophobicContact CG2-CG2 4.07Å; W146-V156 HydrophobicContact CD2-CG2 4.3Å; W146-V156 HydrophobicContact CE3-CG2 3.63Å; W146-V156 HydrophobicContact CH2-CG2 4.43Å; W146-V156 HydrophobicContact CZ3-CG2 3.72Å; P152-V156 HydrophobicContact CB-CG2 4.44Å; P152-V156 WeakPolarHBondContact O-CB 3.38Å; P152-V156 VanDerWaalsContact O-CG2 3.3Å; P152-V156 WeakPolarHBondContact O-CG2 3.36Å; P152-V156 PolarHBondContact O-N 3.38Å; V156-E158 VanDerWaalsContact C-N 3.32Å; V156-E158 PolarHBondContact O-N 3.08Å; V156-D159 PolarHBondContact O-N 2.96Å; V156-I160 HydrophobicContact CG1-CD1 3.79Å; V156-I160 WeakPolarHBondContact O-CB 3.5Å; V156-I160 VanDerWaalsContact O-CG1 3.27Å; V156-I160 WeakPolarHBondContact O-CG1 3.33Å; V156-I160 PolarHBondContact O-N 2.92Å; V156-L186 HydrophobicContact CG2-CD2 4.35Å
157	Y	96.8	Very high	94.4	Very high	44 Å²	44	39.1 Å²	39.1	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-76.9	-19.7	-178.5	-62.5	-51.6	0	0	0	113.5	K135 V143 M153 I160 G161	K135-Y157 HydrophobicContact CD-CE1 4.39Å; K135-Y157 HydrophobicContact CG-CD1 4.12Å; K135-Y157 HydrophobicContact CG-CE1 3.74Å; V143-Y157 HydrophobicContact CG2-CE2 4.45Å; M153-Y157 HydrophobicContact CE-CD2 4.46Å; M153-Y157 HydrophobicContact CE-CE2 3.64Å; M153-Y157 WeakPolarHBondContact O-CD2 3.22Å; M153-Y157 HydrophobicContact SD-CE2 3.81Å; Y157-I160 HydrophobicContact CD1-CD1 4.18Å; Y157-G161 PolarHBondContact O-N 3.48Å; Y157-G161 VanDerWaalsContact O-N 3.16Å
158	E	96.5	Very high	94.8	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-56.3	167.7	-169.5	165.9	135.3	0	0	110.7	K154 F155 V156 I160 G161 I162 H243 I328 P329	K154-E158 WeakPolarHBondContact CE-OE2 3.49Å; K154-E158 VanDerWaalsContact O-CB 3.24Å; K154-E158 WeakPolarHBondContact O-CB 3.36Å; K154-E158 PolarHBondContact O-N 3.48Å; F155-E158 PolarHBondContact O-N 3.44Å; V156-E158 VanDerWaalsContact C-N 3.32Å; V156-E158 PolarHBondContact O-N 3.08Å; E158-I160 PolarHBondContact O-N 3.21Å; E158-G161 WeakPolarHBondContact O-CA 3.46Å; E158-G161 PolarHBondContact O-N 3.43Å; E158-I162 HydrophobicContact CG-CD1 4.31Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.19Å; E158-H243 IonicContact OE1-CD2 3.62Å; E158-H243 PolarHBondContact OE1-CD2 2.91Å; E158-H243 IonicContact OE1-NE2 2.94Å; E158-H243 PolarHBondContact OE1-NE2 3.39Å; E158-H243 VanDerWaalsContact OE1-NE2 3.15Å; E158-I328 HydrophobicContact CG-CB 4.22Å; E158-I328 HydrophobicContact CG-CD1 4.07Å; E158-P329 HydrophobicContact CB-CG 4.08Å
159	D	97.6	Very high	95.2	Very high	7 Å²	7	35 Å²	35	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-67.3	-34.3	-179.1	-74.2	-20.4	0	0	0	112.6	F155 V156 G161 I162 A163 N184 L186 N242	F155-D159 PolarHBondContact O-N 3.14Å; F155-D159 VanDerWaalsContact O-N 3.09Å; V156-D159 PolarHBondContact O-N 2.96Å; D159-G161 VanDerWaalsContact C-N 3.29Å; D159-G161 PolarHBondContact O-N 3.02Å; D159-I162 PolarHBondContact O-N 3.46Å; D159-A163 WeakPolarHBondContact O-CB 3.49Å; D159-A163 PolarHBondContact O-N 3.46Å; D159-N184 PolarHBondContact OD2-ND2 3.49Å; D159-L186 HydrophobicContact CB-CB 4.35Å; D159-L186 HydrophobicContact CB-CD2 3.69Å; D159-L186 HydrophobicContact CB-CG 3.82Å; D159-L186 WeakPolarHBondContact OD2-CB 3.46Å; D159-N242 PolarHBondContact OD1-ND2 3.43Å
160	I	98.4	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.1	-41.3	170.1	-73.5	172.2	0	0	0	110.9	Y131 L134 V156 Y157 E158 C164 I190	Y131-I160 HydrophobicContact CD2-CG2 4.05Å; Y131-I160 HydrophobicContact CE2-CG2 3.86Å; L134-I160 HydrophobicContact CB-CG2 3.83Å; V156-I160 HydrophobicContact CG1-CD1 3.79Å; V156-I160 WeakPolarHBondContact O-CB 3.5Å; V156-I160 VanDerWaalsContact O-CG1 3.27Å; V156-I160 WeakPolarHBondContact O-CG1 3.33Å; V156-I160 PolarHBondContact O-N 2.92Å; Y157-I160 HydrophobicContact CD1-CD1 4.18Å; E158-I160 PolarHBondContact O-N 3.21Å; I160-C164 VanDerWaalsContact O-CB 3.24Å; I160-C164 WeakPolarHBondContact O-CB 3.35Å; I160-C164 PolarHBondContact O-N 2.92Å; I160-I190 HydrophobicContact CG1-CD1 3.74Å
161	G	98.1	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.5	-34.1	178.9	0	0	0	0	0	113.4	Y127 Y157 E158 D159 Y165	Y127-G161 PolarHBondContact OH-O 3.17Å; Y157-G161 PolarHBondContact O-N 3.48Å; Y157-G161 VanDerWaalsContact O-N 3.16Å; E158-G161 WeakPolarHBondContact O-CA 3.46Å; E158-G161 PolarHBondContact O-N 3.43Å; D159-G161 VanDerWaalsContact C-N 3.29Å; D159-G161 PolarHBondContact O-N 3.02Å; G161-Y165 WeakPolarHBondContact O-CB 3.29Å; G161-Y165 PolarHBondContact O-N 3.47Å; G161-Y165 VanDerWaalsContact O-N 3.11Å
162	I	98.6	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71	-47.7	174	-62.1	167.1	0	0	0	110.4	E158 D159 C164 Y165 L166 L187 N242 F265 L267 L326 I328	E158-I162 HydrophobicContact CG-CD1 4.31Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.19Å; D159-I162 PolarHBondContact O-N 3.46Å; I162-C164 VanDerWaalsContact C-N 3.31Å; I162-C164 PolarHBondContact O-N 3.35Å; I162-Y165 WeakPolarHBondContact O-CB 3.48Å; I162-Y165 PolarHBondContact O-N 2.79Å; I162-Y165 VanDerWaalsContact O-N 3.09Å; I162-L166 HydrophobicContact CG2-CD1 4.17Å; I162-L166 PolarHBondContact O-N 2.76Å; I162-L187 HydrophobicContact CB-CD1 4.35Å; I162-L187 HydrophobicContact CG2-CD1 3.98Å; I162-L187 HydrophobicContact CG2-CD2 3.84Å; I162-N242 VanDerWaalsContact CD1-OD1 3.29Å; I162-N242 WeakPolarHBondContact CD1-OD1 3.18Å; I162-F265 HydrophobicContact CG2-CE1 4.23Å; I162-F265 HydrophobicContact CG2-CZ 4.34Å; I162-L267 HydrophobicContact CD1-CD2 3.61Å; I162-L267 HydrophobicContact CG1-CD2 4.07Å; I162-L326 HydrophobicContact CB-CD2 4.46Å; I162-L326 HydrophobicContact CG1-CD2 3.97Å; I162-I328 HydrophobicContact CD1-CD1 4.36Å; I162-I328 HydrophobicContact CG1-CD1 4.24Å; I162-I328 HydrophobicContact CG1-CG2 4.19Å
163	A	98.6	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.4	-46.7	176.5	0	0	0	0	0	111	D159 Y165 L166 I167 L187 I190 L191	D159-A163 WeakPolarHBondContact O-CB 3.49Å; D159-A163 PolarHBondContact O-N 3.46Å; A163-Y165 VanDerWaalsContact C-N 3.3Å; A163-Y165 PolarHBondContact O-N 3.42Å; A163-L166 PolarHBondContact O-N 3.09Å; A163-I167 WeakPolarHBondContact O-CG1 3.28Å; A163-I167 PolarHBondContact O-N 3.34Å; A163-L187 HydrophobicContact CB-CD1 3.74Å; A163-I190 HydrophobicContact CB-CB 4.11Å; A163-I190 HydrophobicContact CB-CD1 4.4Å; A163-I190 HydrophobicContact CB-CG2 3.59Å; A163-L191 HydrophobicContact CB-CD2 4.1Å
164	C	98.5	Very high	96.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.3	-44.7	174.8	-173.3	0	0	0	0	112.2	Y127 Y131 L134 I160 I162 I167 C168	Y127-C164 HydrophobicContact CD2-CB 4.18Å; Y127-C164 WeakPolarHBondContact CD2-SG 3.3Å; Y127-C164 HydrophobicContact CE2-CB 3.78Å; Y127-C164 PolarHBondContact O-SG 3.12Å; Y131-C164 HydrophobicContact CD2-CB 4.27Å; Y131-C164 PolarHBondContact N-SG 3.24Å; L134-C164 HydrophobicContact CD1-CB 3.82Å; I160-C164 VanDerWaalsContact O-CB 3.24Å; I160-C164 WeakPolarHBondContact O-CB 3.35Å; I160-C164 PolarHBondContact O-N 2.92Å; I162-C164 VanDerWaalsContact C-N 3.31Å; I162-C164 PolarHBondContact O-N 3.35Å; C164-I167 PolarHBondContact O-N 3.08Å; C164-C168 PolarHBondContact O-N 3.14Å; C164-C168 PolarHBondContact O-SG 2.98Å
165	Y	98.7	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-49.4	179.9	-176.1	-86.8	0	0	0	111	L119 I122 Y127 G161 I162 A163 I167 C168 L169 F265 D324 L326	L119-Y165 HydrophobicContact CD2-CD2 3.91Å; L119-Y165 HydrophobicContact CD2-CE2 4.13Å; I122-Y165 HydrophobicContact CD1-CD2 3.4Å; I122-Y165 VanDerWaalsContact CD1-CD2 3.4Å; I122-Y165 HydrophobicContact CD1-CE2 3.72Å; I122-Y165 HydrophobicContact CD1-CG 4.13Å; I122-Y165 HydrophobicContact CG1-CD2 4.17Å; I122-Y165 HydrophobicContact CG1-CE2 3.96Å; I122-Y165 HydrophobicContact CG2-CE2 4.21Å; Y127-Y165 HydrophobicContact CE2-CD2 4.48Å; G161-Y165 WeakPolarHBondContact O-CB 3.29Å; G161-Y165 PolarHBondContact O-N 3.47Å; G161-Y165 VanDerWaalsContact O-N 3.11Å; I162-Y165 WeakPolarHBondContact O-CB 3.48Å; I162-Y165 PolarHBondContact O-N 2.79Å; I162-Y165 VanDerWaalsContact O-N 3.09Å; A163-Y165 VanDerWaalsContact C-N 3.3Å; A163-Y165 PolarHBondContact O-N 3.42Å; Y165-I167 PolarHBondContact O-N 3.38Å; Y165-C168 PolarHBondContact O-N 3.35Å; Y165-L169 HydrophobicContact CE1-CD2 4.22Å; Y165-L169 WeakPolarHBondContact O-CB 3.28Å; Y165-L169 PolarHBondContact O-N 3.33Å; Y165-F265 HydrophobicContact CD1-CD2 4.41Å; Y165-F265 AromaticContact CD1-CE2 3.76Å; Y165-F265 HydrophobicContact CD1-CE2 3.76Å; Y165-F265 HydrophobicContact CE1-CD2 4.25Å; Y165-F265 AromaticContact CE1-CE2 3.77Å; Y165-F265 HydrophobicContact CE1-CE2 3.77Å; Y165-D324 WeakPolarHBondContact CE2-OD2 3.26Å; Y165-D324 VanDerWaalsContact OH-CB 3.23Å; Y165-D324 WeakPolarHBondContact OH-CB 3.43Å; Y165-D324 VanDerWaalsContact OH-CG 3.32Å; Y165-D324 PolarHBondContact OH-OD2 3.22Å; Y165-L326 HydrophobicContact CD1-CD2 4.36Å; Y165-L326 HydrophobicContact CD2-CD2 4.27Å; Y165-L326 HydrophobicContact CD2-CG 4.04Å; Y165-L326 HydrophobicContact CE2-CG 4.44Å; Y165-L326 HydrophobicContact CG-CD2 3.91Å; Y165-L326 HydrophobicContact CG-CG 4.16Å
166	L	98.8	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-43.2	179.5	-71.2	171.6	0	0	0	112.1	I162 A163 C168 L169 W170 L187 L191 I240 F265	I162-L166 HydrophobicContact CG2-CD1 4.17Å; I162-L166 PolarHBondContact O-N 2.76Å; A163-L166 PolarHBondContact O-N 3.09Å; L166-C168 VanDerWaalsContact C-N 3.34Å; L166-C168 PolarHBondContact O-N 3.08Å; L166-L169 WeakPolarHBondContact O-CB 3.4Å; L166-L169 PolarHBondContact O-N 3.2Å; L166-L169 VanDerWaalsContact O-N 3.13Å; L166-W170 HydrophobicContact CB-CD2 4.32Å; L166-W170 HydrophobicContact CB-CE3 4.25Å; L166-W170 HydrophobicContact CB-CH2 4.06Å; L166-W170 HydrophobicContact CB-CZ2 4.09Å; L166-W170 HydrophobicContact CB-CZ3 4.14Å; L166-W170 HydrophobicContact CD1-CH2 4.24Å; L166-W170 HydrophobicContact CD1-CZ2 4.34Å; L166-W170 HydrophobicContact CD2-CZ2 3.97Å; L166-W170 HydrophobicContact CG-CZ2 4.37Å; L166-W170 WeakPolarHBondContact O-CB 3.49Å; L166-W170 VanDerWaalsContact O-CD2 3.29Å; L166-W170 PolarHBondContact O-N 3.42Å; L166-L187 HydrophobicContact CD1-CD1 4.26Å; L166-L187 HydrophobicContact CD1-CD2 4.28Å; L166-L191 HydrophobicContact CB-CD2 4.49Å; L166-L191 HydrophobicContact CD1-CD1 4.02Å; L166-I240 HydrophobicContact CD1-CD1 3.85Å; L166-I240 HydrophobicContact CD1-CG1 4.4Å; L166-I240 HydrophobicContact CD1-CG2 4.46Å; L166-F265 HydrophobicContact CD2-CB 3.87Å; L166-F265 HydrophobicContact CD2-CD1 4.16Å; L166-F265 HydrophobicContact CD2-CD2 3.67Å; L166-F265 HydrophobicContact CD2-CE2 4.23Å; L166-F265 HydrophobicContact CD2-CG 3.64Å
167	I	98.5	Very high	97.5	Very high	19 Å²	19	32 Å²	32	10%	0.097	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-44.8	177.8	-64.8	167.8	0	0	0	110.9	Q130 L134 A163 C164 Y165 L169 W170 K171 L191 E194 F196	Q130-I167 HydrophobicContact CG-CG2 4.5Å; L134-I167 HydrophobicContact CD1-CD1 4.07Å; A163-I167 WeakPolarHBondContact O-CG1 3.28Å; A163-I167 PolarHBondContact O-N 3.34Å; C164-I167 PolarHBondContact O-N 3.08Å; Y165-I167 PolarHBondContact O-N 3.38Å; I167-L169 VanDerWaalsContact C-N 3.29Å; I167-L169 PolarHBondContact O-N 3.49Å; I167-W170 PolarHBondContact O-N 2.83Å; I167-K171 PolarHBondContact O-N 3.14Å; I167-L191 HydrophobicContact CD1-CD2 4.26Å; I167-L191 HydrophobicContact CG1-CD2 3.99Å; I167-E194 HydrophobicContact CD1-CB 4.12Å; I167-E194 HydrophobicContact CD1-CG 4Å; I167-F196 HydrophobicContact CB-CE2 4.47Å; I167-F196 HydrophobicContact CB-CZ 4.5Å; I167-F196 HydrophobicContact CD1-CE2 4.14Å; I167-F196 HydrophobicContact CG1-CD2 4.43Å; I167-F196 HydrophobicContact CG1-CE2 3.59Å; I167-F196 HydrophobicContact CG1-CZ 4.04Å; I167-F196 HydrophobicContact CG2-CE2 4.34Å; I167-F196 HydrophobicContact CG2-CZ 4.22Å
168	C	98.2	Very high	97.6	Very high	14 Å²	14	30 Å²	30	10%	0.095	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-31.2	175.9	-66.8	0	0	0	0	112.9	I122 Y127 C164 Y165 L166 K171	I122-C168 HydrophobicContact CB-CB 4.09Å; I122-C168 HydrophobicContact CD1-CB 3.91Å; I122-C168 HydrophobicContact CG2-CB 4.23Å; Y127-C168 VanDerWaalsContact CA-SG 3.52Å; C164-C168 PolarHBondContact O-N 3.14Å; C164-C168 PolarHBondContact O-SG 2.98Å; Y165-C168 PolarHBondContact O-N 3.35Å; L166-C168 VanDerWaalsContact C-N 3.34Å; L166-C168 PolarHBondContact O-N 3.08Å; C168-K171 WeakPolarHBondContact O-CG 3.4Å
169	L	98.1	Very high	97.7	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-70	-44.9	176.8	-173.4	72	0	0	0	111.6	L121 I122 Y165 L166 I167 W238 V337 R339	L121-L169 HydrophobicContact CB-CD1 4.18Å; I122-L169 HydrophobicContact CG2-CB 3.85Å; I122-L169 HydrophobicContact CG2-CD1 3.85Å; I122-L169 HydrophobicContact CG2-CG 4.5Å; Y165-L169 HydrophobicContact CE1-CD2 4.22Å; Y165-L169 WeakPolarHBondContact O-CB 3.28Å; Y165-L169 PolarHBondContact O-N 3.33Å; L166-L169 WeakPolarHBondContact O-CB 3.4Å; L166-L169 PolarHBondContact O-N 3.2Å; L166-L169 VanDerWaalsContact O-N 3.13Å; I167-L169 VanDerWaalsContact C-N 3.29Å; I167-L169 PolarHBondContact O-N 3.49Å; L169-W238 HydrophobicContact CD2-CH2 3.86Å; L169-W238 HydrophobicContact CD2-CZ3 4.21Å; L169-V337 HydrophobicContact CD2-CG1 4.08Å; L169-V337 HydrophobicContact CD2-CG2 4Å; L169-R339 VanDerWaalsContact CD1-NH1 3.31Å
170	W	97.9	Very high	97.7	Very high	6 Å²	6	29.2 Å²	29.2	2%	0.023	14%	0.143	C	C	.	.	H	α-helix	trans	-75.3	-26.9	-178.3	-62.4	-30.8	0	0	0	113.1	L166 I167 N172 E173 V175 F177 L191 F196 W238 I240	L166-W170 HydrophobicContact CB-CD2 4.32Å; L166-W170 HydrophobicContact CB-CE3 4.25Å; L166-W170 HydrophobicContact CB-CH2 4.06Å; L166-W170 HydrophobicContact CB-CZ2 4.09Å; L166-W170 HydrophobicContact CB-CZ3 4.14Å; L166-W170 HydrophobicContact CD1-CH2 4.24Å; L166-W170 HydrophobicContact CD1-CZ2 4.34Å; L166-W170 HydrophobicContact CD2-CZ2 3.97Å; L166-W170 HydrophobicContact CG-CZ2 4.37Å; L166-W170 WeakPolarHBondContact O-CB 3.49Å; L166-W170 VanDerWaalsContact O-CD2 3.29Å; L166-W170 PolarHBondContact O-N 3.42Å; I167-W170 PolarHBondContact O-N 2.83Å; W170-N172 PolarHBondContact O-N 3.4Å; W170-E173 HydrophobicContact CB-CB 4.41Å; W170-E173 WeakPolarHBondContact O-CB 3.33Å; W170-E173 PolarHBondContact O-N 3.4Å; W170-V175 HydrophobicContact CB-CG2 3.99Å; W170-V175 HydrophobicContact CD2-CB 4.41Å; W170-V175 HydrophobicContact CD2-CG1 4.25Å; W170-V175 HydrophobicContact CD2-CG2 3.67Å; W170-V175 HydrophobicContact CE3-CB 4.31Å; W170-V175 HydrophobicContact CE3-CG1 4.23Å; W170-V175 HydrophobicContact CE3-CG2 3.95Å; W170-V175 HydrophobicContact CG-CG2 3.69Å; W170-V175 HydrophobicContact CH2-CG1 3.88Å; W170-V175 HydrophobicContact CZ2-CG1 3.91Å; W170-V175 HydrophobicContact CZ3-CB 4.49Å; W170-V175 HydrophobicContact CZ3-CG1 4.04Å; W170-F177 HydrophobicContact CH2-CB 4.4Å; W170-F177 HydrophobicContact CH2-CD1 4.34Å; W170-L191 HydrophobicContact CH2-CD1 3.91Å; W170-L191 HydrophobicContact CH2-CD2 4.4Å; W170-L191 HydrophobicContact CZ3-CD1 4.19Å; W170-L191 HydrophobicContact CZ3-CD2 3.9Å; W170-F196 AromaticContact CE3-CD1 3.86Å; W170-F196 HydrophobicContact CE3-CD1 3.86Å; W170-F196 AromaticContact CE3-CE1 3.67Å; W170-F196 HydrophobicContact CE3-CE1 3.67Å; W170-F196 HydrophobicContact CE3-CG 4.3Å; W170-F196 HydrophobicContact CE3-CZ 4.03Å; W170-F196 HydrophobicContact CZ3-CD1 4.02Å; W170-F196 HydrophobicContact CZ3-CD2 4.39Å; W170-F196 HydrophobicContact CZ3-CE1 4.25Å; W170-F196 HydrophobicContact CZ3-CG 4.05Å; W170-W238 AromaticContact CD1-CE2 3.43Å; W170-W238 VanDerWaalsContact CD1-CE2 3.43Å; W170-W238 AromaticContact CD1-CH2 3.96Å; W170-W238 AromaticContact CD1-CZ2 3.4Å; W170-W238 VanDerWaalsContact CD1-CZ2 3.4Å; W170-W238 AromaticContact CD1-NE1 3.74Å; W170-W238 AromaticContact CE2-CD2 3.98Å; W170-W238 HydrophobicContact CZ2-CB 4.37Å; W170-W238 HydrophobicContact CZ2-CD2 4.28Å; W170-W238 HydrophobicContact CZ2-CE3 4.46Å; W170-W238 HydrophobicContact CZ2-CG 4.24Å; W170-W238 AromaticContact NE1-CD1 3.97Å; W170-W238 AromaticContact NE1-CD2 3.18Å; W170-W238 AromaticContact NE1-CE2 3.09Å; W170-W238 AromaticContact NE1-CE3 3.49Å; W170-W238 AromaticContact NE1-CG 3.76Å; W170-W238 AromaticContact NE1-CH2 3.65Å; W170-W238 AromaticContact NE1-CZ2 3.35Å; W170-W238 AromaticContact NE1-CZ3 3.71Å; W170-W238 AromaticContact NE1-NE1 3.6Å; W170-I240 HydrophobicContact CH2-CD1 3.86Å; W170-I240 HydrophobicContact CZ2-CD1 4Å; W170-I240 HydrophobicContact CZ2-CG1 4.49Å
171	K	94.3	Very high	97.5	Very high	153 Å²	153	30.2 Å²	30.2	67%	0.665	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	-108.9	-179.4	-56.7	178.7	-179.6	179.5	0	110.7	I167 C168	I167-K171 PolarHBondContact O-N 3.14Å; C168-K171 WeakPolarHBondContact O-CG 3.4Å
172	N	92.1	Very high	97.4	Very high	169 Å²	169	30.6 Å²	30.6	90%	0.904	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	12.5	-178.4	-59.3	-31.2	0	0	0	112.8	W170	W170-N172 PolarHBondContact O-N 3.4Å
173	E	95.6	Very high	97.2	Very high	60 Å²	60	31.4 Å²	31.4	28%	0.28	16%	0.163	S	C	.	.			trans	-66.3	136.3	178	-174.6	173.7	158.1	0	0	110.9	W170 V175 W238 K263	W170-E173 HydrophobicContact CB-CB 4.41Å; W170-E173 WeakPolarHBondContact O-CB 3.33Å; W170-E173 PolarHBondContact O-N 3.4Å; E173-V175 HydrophobicContact CB-CG2 4.24Å; E173-V175 HydrophobicContact CG-CG2 4.11Å; E173-V175 PolarHBondContact O-N 3.12Å; E173-W238 PolarHBondContact OE1-NE1 2.72Å; E173-K263 IonicContact OE1-NZ 3.31Å; E173-K263 PolarHBondContact OE1-NZ 3.19Å; E173-K263 IonicContact OE2-NZ 3.56Å; E173-K263 PolarHBondContact OE2-NZ 2.92Å
174	H	96.8	Very high	97	Very high	142 Å²	142	32.7 Å²	32.7	66%	0.657	17%	0.17	S	C	*	.			trans	-71.9	114.9	166.1	174.8	-84.5	0	0	0	109.1	N237	H174-N237 PolarHBondContact O-ND2 2.93Å
175	V	98.2	Very high	96.9	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	17%	0.17	C	C	.	.			trans	-112	130.8	-176.8	178.7	0	0	0	0	111.4	W170 E173 F177 F196 T197 W238	W170-V175 HydrophobicContact CB-CG2 3.99Å; W170-V175 HydrophobicContact CD2-CB 4.41Å; W170-V175 HydrophobicContact CD2-CG1 4.25Å; W170-V175 HydrophobicContact CD2-CG2 3.67Å; W170-V175 HydrophobicContact CE3-CB 4.31Å; W170-V175 HydrophobicContact CE3-CG1 4.23Å; W170-V175 HydrophobicContact CE3-CG2 3.95Å; W170-V175 HydrophobicContact CG-CG2 3.69Å; W170-V175 HydrophobicContact CH2-CG1 3.88Å; W170-V175 HydrophobicContact CZ2-CG1 3.91Å; W170-V175 HydrophobicContact CZ3-CB 4.49Å; W170-V175 HydrophobicContact CZ3-CG1 4.04Å; E173-V175 HydrophobicContact CB-CG2 4.24Å; E173-V175 HydrophobicContact CG-CG2 4.11Å; E173-V175 PolarHBondContact O-N 3.12Å; V175-F177 HydrophobicContact CG1-CB 3.98Å; V175-F177 HydrophobicContact CG1-CD1 4.39Å; V175-F196 HydrophobicContact CB-CD1 3.9Å; V175-F196 HydrophobicContact CB-CE1 4.5Å; V175-F196 HydrophobicContact CG2-CD1 4.31Å; V175-F196 HydrophobicContact CG2-CE1 4.43Å; V175-T197 PolarHBondContact O-N 2.97Å; V175-W238 HydrophobicContact CG1-CB 4.11Å; V175-W238 HydrophobicContact CG1-CG 4.12Å
176	N	98.2	Very high	96.9	Very high	38 Å²	38	32.7 Å²	32.7	20%	0.203	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	100.7	162.2	-168.4	4.1	0	0	0	108.9	T197 Q235 A236 N237 W238	N176-T197 CarbonylContact C-O 3.49Å; N176-T197 WeakPolarHBondContact CA-O 3.44Å; N176-T197 WeakPolarHBondContact OD1-CG2 3.42Å; N176-Q235 PolarHBondContact ND2-O 2.84Å; N176-A236 CarbonylContact O-C 3.57Å; N176-A236 VanDerWaalsContact O-CA 3.29Å; N176-A236 WeakPolarHBondContact O-CA 3.31Å; N176-N237 PolarHBondContact N-OD1 2.85Å; N176-N237 PolarHBondContact O-N 3.32Å; N176-N237 PolarHBondContact O-OD1 3.41Å; N176-N237 VanDerWaalsContact O-OD1 3.07Å; N176-W238 PolarHBondContact O-N 2.98Å
177	F	98.6	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	153.3	-172.2	72.3	-94.6	0	0	0	113.8	W170 V175 D179 T188 L191 T192 F196 T197 G198 I199 W238 I240	W170-F177 HydrophobicContact CH2-CB 4.4Å; W170-F177 HydrophobicContact CH2-CD1 4.34Å; V175-F177 HydrophobicContact CG1-CB 3.98Å; V175-F177 HydrophobicContact CG1-CD1 4.39Å; F177-D179 HydrophobicContact CD2-CB 4.22Å; F177-D179 HydrophobicContact CE2-CB 4.2Å; F177-T188 HydrophobicContact CE2-CG2 4.16Å; F177-T188 HydrophobicContact CZ-CG2 4.19Å; F177-L191 HydrophobicContact CD1-CD1 4.46Å; F177-L191 HydrophobicContact CE1-CB 3.66Å; F177-L191 HydrophobicContact CE1-CD1 4.16Å; F177-L191 HydrophobicContact CE2-CD1 4.37Å; F177-L191 HydrophobicContact CZ-CB 3.77Å; F177-L191 HydrophobicContact CZ-CD1 4.1Å; F177-T192 HydrophobicContact CE1-CG2 4.23Å; F177-T192 HydrophobicContact CZ-CG2 3.89Å; F177-F196 HydrophobicContact CD1-CB 4.27Å; F177-F196 HydrophobicContact CE1-CB 4.06Å; F177-T197 WeakPolarHBondContact CD1-O 3.18Å; F177-T197 WeakPolarHBondContact CE1-O 3.47Å; F177-T197 PolarHBondContact N-O 3.12Å; F177-G198 CarbonylContact O-C 3.55Å; F177-G198 WeakPolarHBondContact O-CA 3.33Å; F177-I199 PolarHBondContact O-N 3.44Å; F177-W238 CarbonylContact C-O 3.54Å; F177-W238 VanDerWaalsContact CA-O 3.23Å; F177-W238 WeakPolarHBondContact CA-O 3.41Å; F177-W238 HydrophobicContact CB-CB 4.16Å; F177-I240 HydrophobicContact CB-CD1 3.88Å; F177-I240 HydrophobicContact CD2-CD1 3.82Å; F177-I240 HydrophobicContact CG-CD1 3.93Å
178	V	98.6	Very high	96.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.4	163.6	177.5	0	0	0	0	108.8	L180 I199 I201 F233 A236 W238 L239 I240	V178-L180 HydrophobicContact CG1-CD2 3.66Å; V178-L180 HydrophobicContact CG1-CG 4.1Å; V178-I199 WeakPolarHBondContact CA-O 3.24Å; V178-I199 HydrophobicContact CB-CG1 4.46Å; V178-I199 HydrophobicContact CG1-CG1 4.31Å; V178-I199 HydrophobicContact CG2-CD1 4.27Å; V178-I199 HydrophobicContact CG2-CG1 3.89Å; V178-I201 HydrophobicContact CG1-CD1 3.81Å; V178-I201 HydrophobicContact CG1-CG1 4.28Å; V178-F233 HydrophobicContact CB-CG 4.5Å; V178-F233 HydrophobicContact CG1-CD1 4.12Å; V178-F233 HydrophobicContact CG1-CE1 4.05Å; V178-F233 HydrophobicContact CG1-CE2 4.46Å; V178-F233 HydrophobicContact CG1-CG 4.35Å; V178-F233 HydrophobicContact CG1-CZ 4.21Å; V178-F233 HydrophobicContact CG2-CB 4.19Å; V178-F233 HydrophobicContact CG2-CD1 4.12Å; V178-F233 HydrophobicContact CG2-CG 4.16Å; V178-A236 HydrophobicContact CB-CB 4.41Å; V178-A236 HydrophobicContact CG2-CB 3.65Å; V178-W238 PolarHBondContact N-O 3.15Å; V178-L239 HydrophobicContact CB-CD2 3.78Å; V178-L239 HydrophobicContact CG1-CD2 4.47Å; V178-L239 HydrophobicContact CG2-CD2 4.46Å; V178-L239 WeakPolarHBondContact O-CA 3.21Å; V178-I240 PolarHBondContact O-N 3.26Å
179	D	98.6	Very high	96.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	105	176.9	-178.1	16.4	0	0	0	109.8	F177 C182 T188 I199 I201 I240	F177-D179 HydrophobicContact CD2-CB 4.22Å; F177-D179 HydrophobicContact CE2-CB 4.2Å; D179-C182 HydrophobicContact CB-CB 4.12Å; D179-C182 VanDerWaalsContact OD2-CB 3.26Å; D179-C182 WeakPolarHBondContact OD2-CB 3.47Å; D179-T188 WeakPolarHBondContact CB-OG1 3.5Å; D179-T188 PolarHBondContact OD2-OG1 3.1Å; D179-T188 VanDerWaalsContact OD2-OG1 3.11Å; D179-I199 PolarHBondContact N-O 3.19Å; D179-I201 PolarHBondContact O-N 3.48Å; D179-I240 HydrophobicContact CB-CB 4.31Å
180	L	97.6	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.4	-174	-66.2	179.2	0	0	0	111.2	V178 I201 L225 F233 L239 I240 S244 L247 L251 L254	V178-L180 HydrophobicContact CG1-CD2 3.66Å; V178-L180 HydrophobicContact CG1-CG 4.1Å; L180-I201 HydrophobicContact CD2-CB 4.3Å; L180-I201 HydrophobicContact CD2-CD1 4.19Å; L180-L225 HydrophobicContact CD2-CD1 4.2Å; L180-F233 HydrophobicContact CD1-CE2 3.95Å; L180-F233 HydrophobicContact CD2-CE1 4.47Å; L180-F233 HydrophobicContact CD2-CE2 3.83Å; L180-F233 HydrophobicContact CD2-CZ 3.58Å; L180-F233 HydrophobicContact CG-CE2 4.41Å; L180-L239 HydrophobicContact CD1-CD1 4.3Å; L180-I240 PolarHBondContact N-O 3.39Å; L180-S244 WeakPolarHBondContact O-CB 3.24Å; L180-L247 HydrophobicContact CB-CD1 4.34Å; L180-L251 HydrophobicContact CB-CD1 4.43Å; L180-L251 HydrophobicContact CB-CD2 4.41Å; L180-L251 HydrophobicContact CD1-CD1 3.87Å; L180-L251 HydrophobicContact CD1-CD2 4.36Å; L180-L254 HydrophobicContact CD1-CD1 3.58Å
181	G	95.5	Very high	96.9	Very high	20 Å²	20	32.5 Å²	32.5	21%	0.206	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	39.9	-170.7	0	0	0	0	0	111.6	G183 I201	G181-G183 PolarHBondContact O-N 3.31Å; G181-I201 WeakPolarHBondContact CA-O 3.4Å; G181-I201 PolarHBondContact N-O 3.48Å
182	C	96.7	Very high	97	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.061	14%	0.141	C	C	.	.			trans	-65.4	-10.3	-171.3	70.5	0	0	0	0	114.5	D179 N184 G185 I201	D179-C182 HydrophobicContact CB-CB 4.12Å; D179-C182 VanDerWaalsContact OD2-CB 3.26Å; D179-C182 WeakPolarHBondContact OD2-CB 3.47Å; C182-N184 PolarHBondContact O-N 2.8Å; C182-G185 PolarHBondContact O-N 3.36Å; C182-I201 PolarHBondContact N-O 3.2Å; C182-I201 VanDerWaalsContact SG-C 3.57Å; C182-I201 PolarHBondContact SG-N 3.29Å
183	G	93.9	Very high	97.3	Very high	16 Å²	16	20.7 Å²	20.7	17%	0.165	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-111.2	172.8	0	0	0	0	0	113.1	G181 G185 D202 R206 W209	G181-G183 PolarHBondContact O-N 3.31Å; G183-G185 PolarHBondContact O-N 3.17Å; G183-D202 WeakPolarHBondContact CA-OD2 3.43Å; G183-D202 PolarHBondContact N-OD2 3.17Å; G183-R206 WeakPolarHBondContact O-CG 3.46Å; G183-W209 PolarHBondContact O-NE1 3.14Å
184	N	94.4	Very high	97.3	Very high	28 Å²	28	20.1 Å²	20.1	15%	0.15	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.1	-179.6	69.7	33.3	0	0	0	113.1	D159 C182 L186 I208 W209 Y212	D159-N184 PolarHBondContact OD2-ND2 3.49Å; C182-N184 PolarHBondContact O-N 2.8Å; N184-L186 PolarHBondContact O-N 2.94Å; N184-L186 WeakPolarHBondContact OD1-CB 3.38Å; N184-L186 PolarHBondContact OD1-N 2.97Å; N184-I208 HydrophobicContact CB-CG2 4.01Å; N184-I208 VanDerWaalsContact O-CG2 3.25Å; N184-I208 WeakPolarHBondContact O-CG2 3.39Å; N184-W209 VanDerWaalsContact O-CD1 3.25Å; N184-W209 PolarHBondContact O-NE1 3.15Å; N184-Y212 VanDerWaalsContact O-CE2 3.24Å; N184-Y212 WeakPolarHBondContact O-CE2 3.43Å; N184-Y212 PolarHBondContact O-OH 2.99Å
185	G	96.8	Very high	97.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.113	C	C	.	.			trans	71.1	7.4	178.1	0	0	0	0	0	115.3	C182 G183 T188 Y189	C182-G185 PolarHBondContact O-N 3.36Å; G183-G185 PolarHBondContact O-N 3.17Å; G185-T188 PolarHBondContact O-N 2.99Å; G185-Y189 WeakPolarHBondContact O-CB 3.49Å; G185-Y189 PolarHBondContact O-N 2.8Å
186	L	97.3	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.7	-40.9	-174.4	173.7	57.9	0	0	0	112.1	L142 W146 V156 D159 N184 T188 Y189 I190	L142-L186 HydrophobicContact CD1-CD1 3.39Å; L142-L186 HydrophobicContact CD1-CD2 4.25Å; L142-L186 HydrophobicContact CD1-CG 4.44Å; L142-L186 HydrophobicContact CD2-CD1 3.75Å; L142-L186 HydrophobicContact CG-CD1 4.22Å; W146-L186 HydrophobicContact CH2-CD2 4.26Å; W146-L186 HydrophobicContact CZ3-CD2 3.96Å; V156-L186 HydrophobicContact CG2-CD2 4.35Å; D159-L186 HydrophobicContact CB-CB 4.35Å; D159-L186 HydrophobicContact CB-CD2 3.69Å; D159-L186 HydrophobicContact CB-CG 3.82Å; D159-L186 WeakPolarHBondContact OD2-CB 3.46Å; N184-L186 PolarHBondContact O-N 2.94Å; N184-L186 WeakPolarHBondContact OD1-CB 3.38Å; N184-L186 PolarHBondContact OD1-N 2.97Å; L186-T188 PolarHBondContact O-N 3.24Å; L186-Y189 HydrophobicContact CD1-CD1 3.86Å; L186-Y189 WeakPolarHBondContact O-CB 3.44Å; L186-Y189 PolarHBondContact O-N 2.85Å; L186-I190 HydrophobicContact CD1-CD1 3.81Å; L186-I190 HydrophobicContact CD1-CG1 3.91Å; L186-I190 HydrophobicContact CG-CD1 3.94Å; L186-I190 HydrophobicContact CG-CG1 4.47Å; L186-I190 WeakPolarHBondContact O-CG1 3.26Å; L186-I190 PolarHBondContact O-N 2.97Å
187	L	98.3	Very high	97.3	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-49.1	175.1	179.8	58.2	0	0	0	111	I162 A163 L166 Y189 I190 L191 I240 N242	I162-L187 HydrophobicContact CB-CD1 4.35Å; I162-L187 HydrophobicContact CG2-CD1 3.98Å; I162-L187 HydrophobicContact CG2-CD2 3.84Å; A163-L187 HydrophobicContact CB-CD1 3.74Å; L166-L187 HydrophobicContact CD1-CD1 4.26Å; L166-L187 HydrophobicContact CD1-CD2 4.28Å; L187-Y189 VanDerWaalsContact C-N 3.3Å; L187-Y189 PolarHBondContact O-N 3.23Å; L187-I190 PolarHBondContact O-N 2.81Å; L187-L191 HydrophobicContact CD1-CD1 3.84Å; L187-L191 HydrophobicContact CD1-CG 4.01Å; L187-L191 HydrophobicContact CG-CD1 3.92Å; L187-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 WeakPolarHBondContact O-CG 3.45Å; L187-L191 PolarHBondContact O-N 2.95Å; L187-I240 HydrophobicContact CD2-CG2 3.82Å; L187-N242 HydrophobicContact CD2-CB 3.82Å
188	T	98.4	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-42.4	174.2	-64.9	0	0	0	0	111.5	F177 D179 G185 L186 T192 G200 L220	F177-T188 HydrophobicContact CE2-CG2 4.16Å; F177-T188 HydrophobicContact CZ-CG2 4.19Å; D179-T188 WeakPolarHBondContact CB-OG1 3.5Å; D179-T188 PolarHBondContact OD2-OG1 3.1Å; D179-T188 VanDerWaalsContact OD2-OG1 3.11Å; G185-T188 PolarHBondContact O-N 2.99Å; L186-T188 PolarHBondContact O-N 3.24Å; T188-T192 HydrophobicContact CG2-CG2 4.24Å; T188-T192 WeakPolarHBondContact O-CB 3.46Å; T188-T192 VanDerWaalsContact O-CG2 3.24Å; T188-T192 WeakPolarHBondContact O-CG2 3.33Å; T188-T192 PolarHBondContact O-N 3.42Å; T188-T192 PolarHBondContact O-OG1 3Å; T188-G200 WeakPolarHBondContact OG1-CA 3.47Å; T188-L220 HydrophobicContact CG2-CD2 3.8Å
189	Y	98.2	Very high	97.3	Very high	41 Å²	41	20.6 Å²	20.6	16%	0.161	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-51.3	176.4	169.8	-141	0	0	0	112.1	Y138 L142 G185 L186 L187 T192 S193 Y212 P213 V216	Y138-Y189 HydrophobicContact CD1-CE1 4.47Å; L142-Y189 HydrophobicContact CD2-CD1 4.17Å; L142-Y189 HydrophobicContact CD2-CE1 3.86Å; G185-Y189 WeakPolarHBondContact O-CB 3.49Å; G185-Y189 PolarHBondContact O-N 2.8Å; L186-Y189 HydrophobicContact CD1-CD1 3.86Å; L186-Y189 WeakPolarHBondContact O-CB 3.44Å; L186-Y189 PolarHBondContact O-N 2.85Å; L187-Y189 VanDerWaalsContact C-N 3.3Å; L187-Y189 PolarHBondContact O-N 3.23Å; Y189-T192 PolarHBondContact O-OG1 3.44Å; Y189-T192 VanDerWaalsContact O-OG1 3.09Å; Y189-S193 VanDerWaalsContact CD2-OG 3.27Å; Y189-S193 WeakPolarHBondContact CD2-OG 3.45Å; Y189-S193 WeakPolarHBondContact CE2-OG 3.31Å; Y189-S193 WeakPolarHBondContact O-CB 3.27Å; Y189-S193 PolarHBondContact O-N 3.44Å; Y189-S193 PolarHBondContact O-OG 3.22Å; Y189-Y212 AromaticContact CD1-CD1 3.75Å; Y189-Y212 HydrophobicContact CD1-CD1 3.75Å; Y189-Y212 AromaticContact CD1-CE1 3.78Å; Y189-Y212 HydrophobicContact CD1-CE1 3.78Å; Y189-Y212 HydrophobicContact CD1-CG 4.42Å; Y189-Y212 HydrophobicContact CE1-CD1 4.16Å; Y189-Y212 HydrophobicContact CE1-CE1 4.4Å; Y189-Y212 HydrophobicContact CG-CD1 4.1Å; Y189-Y212 HydrophobicContact CG-CE1 4.35Å; Y189-Y212 HydrophobicContact CG-CG 4.33Å; Y189-P213 HydrophobicContact CE2-CG 3.99Å; Y189-V216 HydrophobicContact CD2-CB 4.22Å; Y189-V216 HydrophobicContact CD2-CG1 3.89Å; Y189-V216 HydrophobicContact CD2-CG2 3.55Å; Y189-V216 HydrophobicContact CE2-CG2 4.06Å; Y189-V216 HydrophobicContact CG-CG1 4.18Å
190	I	98.3	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-51.7	-178.4	-64.8	165.1	0	0	0	109.7	L134 Y138 I160 A163 L186 L187 T192 S193 E194	L134-I190 HydrophobicContact CD2-CG2 4.36Å; Y138-I190 HydrophobicContact CD2-CG2 4.35Å; Y138-I190 HydrophobicContact CE2-CG2 4.14Å; Y138-I190 HydrophobicContact CG-CG1 4.43Å; I160-I190 HydrophobicContact CG1-CD1 3.74Å; A163-I190 HydrophobicContact CB-CB 4.11Å; A163-I190 HydrophobicContact CB-CD1 4.4Å; A163-I190 HydrophobicContact CB-CG2 3.59Å; L186-I190 HydrophobicContact CD1-CD1 3.81Å; L186-I190 HydrophobicContact CD1-CG1 3.91Å; L186-I190 HydrophobicContact CG-CD1 3.94Å; L186-I190 HydrophobicContact CG-CG1 4.47Å; L186-I190 WeakPolarHBondContact O-CG1 3.26Å; L186-I190 PolarHBondContact O-N 2.97Å; L187-I190 PolarHBondContact O-N 2.81Å; I190-T192 VanDerWaalsContact C-N 3.34Å; I190-T192 PolarHBondContact O-N 3.39Å; I190-S193 PolarHBondContact O-N 3.05Å; I190-S193 VanDerWaalsContact O-N 3.13Å; I190-E194 HydrophobicContact CG2-CG 4.25Å; I190-E194 WeakPolarHBondContact O-CB 3.42Å; I190-E194 VanDerWaalsContact O-CG 3.29Å; I190-E194 WeakPolarHBondContact O-CG 3.21Å; I190-E194 PolarHBondContact O-N 3.05Å
191	L	98.5	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-42.3	-176.9	-65.9	175.3	0	0	0	112.3	A163 L166 I167 W170 F177 L187 S193 E194 G195 F196 I240	A163-L191 HydrophobicContact CB-CD2 4.1Å; L166-L191 HydrophobicContact CB-CD2 4.49Å; L166-L191 HydrophobicContact CD1-CD1 4.02Å; I167-L191 HydrophobicContact CD1-CD2 4.26Å; I167-L191 HydrophobicContact CG1-CD2 3.99Å; W170-L191 HydrophobicContact CH2-CD1 3.91Å; W170-L191 HydrophobicContact CH2-CD2 4.4Å; W170-L191 HydrophobicContact CZ3-CD1 4.19Å; W170-L191 HydrophobicContact CZ3-CD2 3.9Å; F177-L191 HydrophobicContact CD1-CD1 4.46Å; F177-L191 HydrophobicContact CE1-CB 3.66Å; F177-L191 HydrophobicContact CE1-CD1 4.16Å; F177-L191 HydrophobicContact CE2-CD1 4.37Å; F177-L191 HydrophobicContact CZ-CB 3.77Å; F177-L191 HydrophobicContact CZ-CD1 4.1Å; L187-L191 HydrophobicContact CD1-CD1 3.84Å; L187-L191 HydrophobicContact CD1-CG 4.01Å; L187-L191 HydrophobicContact CG-CD1 3.92Å; L187-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 WeakPolarHBondContact O-CG 3.45Å; L187-L191 PolarHBondContact O-N 2.95Å; L191-S193 VanDerWaalsContact C-N 3.33Å; L191-S193 PolarHBondContact O-N 2.73Å; L191-E194 PolarHBondContact O-N 2.95Å; L191-G195 PolarHBondContact O-N 3.09Å; L191-F196 HydrophobicContact CD2-CD2 4.46Å; L191-F196 WeakPolarHBondContact O-CB 3.2Å; L191-F196 WeakPolarHBondContact O-CD2 3.41Å; L191-F196 PolarHBondContact O-N 3.35Å; L191-F196 VanDerWaalsContact O-N 3.11Å; L191-I240 HydrophobicContact CD1-CD1 3.92Å
192	T	97.8	Very high	97.2	Very high	21 Å²	21	20.7 Å²	20.7	13%	0.129	13%	0.131	C	C	.	.	H	α-helix	trans	-67.9	-33.7	177.4	53.7	0	0	0	0	112.8	F177 T188 Y189 I190 E194 G195 F196	F177-T192 HydrophobicContact CE1-CG2 4.23Å; F177-T192 HydrophobicContact CZ-CG2 3.89Å; T188-T192 HydrophobicContact CG2-CG2 4.24Å; T188-T192 WeakPolarHBondContact O-CB 3.46Å; T188-T192 VanDerWaalsContact O-CG2 3.24Å; T188-T192 WeakPolarHBondContact O-CG2 3.33Å; T188-T192 PolarHBondContact O-N 3.42Å; T188-T192 PolarHBondContact O-OG1 3Å; Y189-T192 PolarHBondContact O-OG1 3.44Å; Y189-T192 VanDerWaalsContact O-OG1 3.09Å; I190-T192 VanDerWaalsContact C-N 3.34Å; I190-T192 PolarHBondContact O-N 3.39Å; T192-E194 VanDerWaalsContact C-N 3.3Å; T192-G195 PolarHBondContact O-N 3.15Å; T192-F196 WeakPolarHBondContact CA-O 3.32Å
193	S	97.2	Very high	97.1	Very high	52 Å²	52	21.3 Å²	21.3	36%	0.364	14%	0.135	S	C	.	.	H	α-helix	trans	-70.9	-27.7	174.8	-56.5	0	0	0	0	112.5	Y138 Y189 I190 L191 G195	Y138-S193 VanDerWaalsContact OH-CB 3.31Å; Y138-S193 WeakPolarHBondContact OH-CB 3.28Å; Y189-S193 VanDerWaalsContact CD2-OG 3.27Å; Y189-S193 WeakPolarHBondContact CD2-OG 3.45Å; Y189-S193 WeakPolarHBondContact CE2-OG 3.31Å; Y189-S193 WeakPolarHBondContact O-CB 3.27Å; Y189-S193 PolarHBondContact O-N 3.44Å; Y189-S193 PolarHBondContact O-OG 3.22Å; I190-S193 PolarHBondContact O-N 3.05Å; I190-S193 VanDerWaalsContact O-N 3.13Å; L191-S193 VanDerWaalsContact C-N 3.33Å; L191-S193 PolarHBondContact O-N 2.73Å; S193-G195 PolarHBondContact O-N 2.9Å
194	E	96.9	Very high	96.9	Very high	48 Å²	48	23.4 Å²	23.4	22%	0.224	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	7.9	173.9	-67.7	-63	140.1	0	0	113.5	R133 L134 Y138 I167 I190 L191 T192 F196	R133-E194 IonicContact CZ-OE1 2.68Å; R133-E194 IonicContact CZ-OE2 3.91Å; R133-E194 VanDerWaalsContact CZ-OE2 3.31Å; R133-E194 IonicContact NH1-OE1 3.99Å; R133-E194 PolarHBondContact NH1-OE1 3.45Å; R133-E194 VanDerWaalsContact NH1-OE1 3.15Å; R133-E194 IonicContact NH1-OE2 2.81Å; R133-E194 PolarHBondContact NH1-OE2 3.24Å; R133-E194 VanDerWaalsContact NH1-OE2 3.14Å; R133-E194 VanDerWaalsContact NH2-CD 3.32Å; R133-E194 IonicContact NH2-OE1 3.24Å; R133-E194 IonicContact NH2-OE2 3.25Å; R133-E194 PolarHBondContact NH2-OE2 3.05Å; L134-E194 HydrophobicContact CD2-CG 3.88Å; L134-E194 WeakPolarHBondContact CD2-OE1 3.24Å; Y138-E194 HydrophobicContact CE2-CG 4.39Å; Y138-E194 WeakPolarHBondContact CE2-OE1 3.42Å; Y138-E194 VanDerWaalsContact CZ-OE1 3.31Å; Y138-E194 PolarHBondContact OH-OE1 3.34Å; I167-E194 HydrophobicContact CD1-CB 4.12Å; I167-E194 HydrophobicContact CD1-CG 4Å; I190-E194 HydrophobicContact CG2-CG 4.25Å; I190-E194 WeakPolarHBondContact O-CB 3.42Å; I190-E194 VanDerWaalsContact O-CG 3.29Å; I190-E194 WeakPolarHBondContact O-CG 3.21Å; I190-E194 PolarHBondContact O-N 3.05Å; L191-E194 PolarHBondContact O-N 2.95Å; T192-E194 VanDerWaalsContact C-N 3.3Å; E194-F196 HydrophobicContact CB-CD2 4.08Å; E194-F196 HydrophobicContact CB-CE2 4.12Å
195	G	96.4	Very high	96.7	Very high	66 Å²	66	26 Å²	26	68%	0.68	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.7	2.3	172	0	0	0	0	0	115.3	L191 T192 S193	L191-G195 PolarHBondContact O-N 3.09Å; T192-G195 PolarHBondContact O-N 3.15Å; S193-G195 PolarHBondContact O-N 2.9Å
196	F	97.9	Very high	96.4	Very high	31 Å²	31	28.2 Å²	28.2	14%	0.136	16%	0.156	C	C	.	.			trans	-78.8	143.5	175.9	-61.8	-80.5	0	0	0	111.5	I167 W170 V175 F177 L191 T192 E194	I167-F196 HydrophobicContact CB-CE2 4.47Å; I167-F196 HydrophobicContact CB-CZ 4.5Å; I167-F196 HydrophobicContact CD1-CE2 4.14Å; I167-F196 HydrophobicContact CG1-CD2 4.43Å; I167-F196 HydrophobicContact CG1-CE2 3.59Å; I167-F196 HydrophobicContact CG1-CZ 4.04Å; I167-F196 HydrophobicContact CG2-CE2 4.34Å; I167-F196 HydrophobicContact CG2-CZ 4.22Å; W170-F196 AromaticContact CE3-CD1 3.86Å; W170-F196 HydrophobicContact CE3-CD1 3.86Å; W170-F196 AromaticContact CE3-CE1 3.67Å; W170-F196 HydrophobicContact CE3-CE1 3.67Å; W170-F196 HydrophobicContact CE3-CG 4.3Å; W170-F196 HydrophobicContact CE3-CZ 4.03Å; W170-F196 HydrophobicContact CZ3-CD1 4.02Å; W170-F196 HydrophobicContact CZ3-CD2 4.39Å; W170-F196 HydrophobicContact CZ3-CE1 4.25Å; W170-F196 HydrophobicContact CZ3-CG 4.05Å; V175-F196 HydrophobicContact CB-CD1 3.9Å; V175-F196 HydrophobicContact CB-CE1 4.5Å; V175-F196 HydrophobicContact CG2-CD1 4.31Å; V175-F196 HydrophobicContact CG2-CE1 4.43Å; F177-F196 HydrophobicContact CD1-CB 4.27Å; F177-F196 HydrophobicContact CE1-CB 4.06Å; L191-F196 HydrophobicContact CD2-CD2 4.46Å; L191-F196 WeakPolarHBondContact O-CB 3.2Å; L191-F196 WeakPolarHBondContact O-CD2 3.41Å; L191-F196 PolarHBondContact O-N 3.35Å; L191-F196 VanDerWaalsContact O-N 3.11Å; T192-F196 WeakPolarHBondContact CA-O 3.32Å; E194-F196 HydrophobicContact CB-CD2 4.08Å; E194-F196 HydrophobicContact CB-CE2 4.12Å
197	T	97.9	Very high	96.1	Very high	56 Å²	56	33.9 Å²	33.9	34%	0.344	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	137.7	172.3	-59.9	0	0	0	0	108.9	V175 N176 F177	V175-T197 PolarHBondContact O-N 2.97Å; N176-T197 CarbonylContact C-O 3.49Å; N176-T197 WeakPolarHBondContact CA-O 3.44Å; N176-T197 WeakPolarHBondContact OD1-CG2 3.42Å; F177-T197 WeakPolarHBondContact CD1-O 3.18Å; F177-T197 WeakPolarHBondContact CE1-O 3.47Å; F177-T197 PolarHBondContact N-O 3.12Å
198	G	97.9	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	179.4	171.8	0	0	0	0	0	113.8	F177 R219	F177-G198 CarbonylContact O-C 3.55Å; F177-G198 WeakPolarHBondContact O-CA 3.33Å; G198-R219 WeakPolarHBondContact O-CD 3.46Å; G198-R219 PolarHBondContact O-NH1 2.86Å
199	I	98.4	Very high	95.8	Very high	41 Å²	41	34 Å²	34	21%	0.21	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154	175.9	60.7	170.1	0	0	0	110.8	F177 V178 D179 I201 R219	F177-I199 PolarHBondContact O-N 3.44Å; V178-I199 WeakPolarHBondContact CA-O 3.24Å; V178-I199 HydrophobicContact CB-CG1 4.46Å; V178-I199 HydrophobicContact CG1-CG1 4.31Å; V178-I199 HydrophobicContact CG2-CD1 4.27Å; V178-I199 HydrophobicContact CG2-CG1 3.89Å; D179-I199 PolarHBondContact N-O 3.19Å; I199-I201 HydrophobicContact CD1-CD1 4.05Å; I199-I201 HydrophobicContact CD1-CG1 4.16Å; I199-R219 VanDerWaalsContact CA-O 3.25Å; I199-R219 WeakPolarHBondContact CA-O 3.45Å; I199-R219 VanDerWaalsContact CB-O 3.25Å; I199-R219 WeakPolarHBondContact CB-O 3.17Å; I199-R219 HydrophobicContact CG2-CB 4.34Å
200	G	98.3	Very high	95.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.3	170.3	0	0	0	0	0	109.8	T188 R219 L220 K221	T188-G200 WeakPolarHBondContact OG1-CA 3.47Å; G200-R219 PolarHBondContact N-O 3.44Å; G200-L220 CarbonylContact O-C 3.52Å; G200-L220 WeakPolarHBondContact O-CA 3.45Å; G200-K221 PolarHBondContact O-N 2.91Å
201	I	97.2	Very high	95.3	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.046	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.4	178.7	-58.4	178.4	0	0	0	108.7	V178 D179 L180 G181 C182 I199 K221 I223 F233	V178-I201 HydrophobicContact CG1-CD1 3.81Å; V178-I201 HydrophobicContact CG1-CG1 4.28Å; D179-I201 PolarHBondContact O-N 3.48Å; L180-I201 HydrophobicContact CD2-CB 4.3Å; L180-I201 HydrophobicContact CD2-CD1 4.19Å; G181-I201 WeakPolarHBondContact CA-O 3.4Å; G181-I201 PolarHBondContact N-O 3.48Å; C182-I201 PolarHBondContact N-O 3.2Å; C182-I201 VanDerWaalsContact SG-C 3.57Å; C182-I201 PolarHBondContact SG-N 3.29Å; I199-I201 HydrophobicContact CD1-CD1 4.05Å; I199-I201 HydrophobicContact CD1-CG1 4.16Å; I201-K221 WeakPolarHBondContact CA-O 3.43Å; I201-K221 HydrophobicContact CG1-CB 4.32Å; I201-I223 HydrophobicContact CG2-CB 3.87Å; I201-F233 HydrophobicContact CD1-CE1 3.65Å; I201-F233 HydrophobicContact CD1-CZ 4.1Å
202	D	95.9	Very high	95.2	Very high	15 Å²	15	43 Å²	43	8%	0.08	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.8	169.4	-160.9	-87	0	0	0	109.8	G183 R204 W209 K221 E222 I223	G183-D202 WeakPolarHBondContact CA-OD2 3.43Å; G183-D202 PolarHBondContact N-OD2 3.17Å; D202-R204 PolarHBondContact O-N 3.4Å; D202-R204 PolarHBondContact OD1-N 3.26Å; D202-W209 HydrophobicContact CB-CH2 4.27Å; D202-W209 HydrophobicContact CB-CZ2 4.04Å; D202-K221 PolarHBondContact N-O 2.94Å; D202-E222 CarbonylContact O-C 3.55Å; D202-E222 VanDerWaalsContact O-CA 3.25Å; D202-E222 WeakPolarHBondContact O-CA 3.43Å; D202-I223 PolarHBondContact O-N 3.15Å
203	V	92.6	Very high	95.1	Very high	21 Å²	21	44.7 Å²	44.7	13%	0.127	24%	0.243	C	C	.	.	S	Bend	trans	-65.7	-20.8	174.8	67.1	0	0	0	0	112.2	V379 R380 P382	V203-V379 HydrophobicContact CG2-CG1 4.12Å; V203-R380 HydrophobicContact CG1-CB 4.49Å; V203-R380 WeakPolarHBondContact CG2-O 3.07Å; V203-P382 HydrophobicContact CG2-CG 4.5Å
204	R	90.2	Very high	95.1	Very high	60 Å²	60	48.2 Å²	48.2	23%	0.226	26%	0.256	C	S	.	.	S	Bend	trans	-138.4	132	-176.4	178.3	-175.2	171.9	153.8	2.6	112.1	D202 R206 E222 P382	D202-R204 PolarHBondContact O-N 3.4Å; D202-R204 PolarHBondContact OD1-N 3.26Å; R204-R206 PolarHBondContact O-N 2.91Å; R204-E222 WeakPolarHBondContact CA-OE1 3.42Å; R204-P382 WeakPolarHBondContact CD-O 3.5Å
205	K	91.7	Very high	95	Very high	84 Å²	84	49.3 Å²	49.3	37%	0.365	27%	0.27	S	S	.	.			trans	-66.6	123.7	167.6	-177.6	159.9	-172.4	171	0	111.2	W209 E222	K205-W209 HydrophobicContact CB-CE3 4.13Å; K205-W209 HydrophobicContact CB-CZ3 4.21Å; K205-W209 HydrophobicContact CD-CE3 3.98Å; K205-W209 HydrophobicContact CG-CB 4.4Å; K205-W209 HydrophobicContact CG-CD2 4.02Å; K205-W209 HydrophobicContact CG-CE3 3.57Å; K205-W209 HydrophobicContact CG-CG 4.41Å; K205-W209 HydrophobicContact CG-CZ3 4.13Å; K205-E222 HydrophobicContact CB-CB 4.33Å; K205-E222 HydrophobicContact CB-CG 4.4Å; K205-E222 WeakPolarHBondContact CB-OE2 3.48Å; K205-E222 VanDerWaalsContact N-CD 3.25Å; K205-E222 PolarHBondContact N-OE1 3Å
206	R	90.5	Very high	95	Very high	45 Å²	45	46.3 Å²	46.3	17%	0.17	24%	0.238	C	C	.	.			trans	-85.4	157.1	174.2	-59.4	-62	175.2	175.6	-1.9	111.4	G183 R204 I208 W209 E384	G183-R206 WeakPolarHBondContact O-CG 3.46Å; R204-R206 PolarHBondContact O-N 2.91Å; R206-I208 VanDerWaalsContact C-N 3.3Å; R206-I208 HydrophobicContact CB-CG2 4.24Å; R206-I208 PolarHBondContact O-N 3.38Å; R206-W209 WeakPolarHBondContact O-CB 3.38Å; R206-W209 PolarHBondContact O-N 3.38Å; R206-E384 IonicContact NH1-OE2 3.44Å; R206-E384 PolarHBondContact NH1-OE2 3.25Å
207	H	90.6	Very high	95	Very high	119 Å²	119	47.2 Å²	47.2	55%	0.551	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-65.3	-38.7	-176	-71.4	-69.6	0	0	0	111.2	E148 W209 K210	E148-H207 PolarHBondContact OE1-N 3.44Å; E148-H207 VanDerWaalsContact OE1-N 3.13Å; H207-W209 PolarHBondContact O-N 3.18Å; H207-W209 VanDerWaalsContact O-N 3.16Å; H207-K210 PolarHBondContact O-N 2.96Å
208	I	93.7	Very high	95	Very high	2 Å²	2	51 Å²	51	1%	0.01	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60.8	-23.8	180	-163.6	167.8	0	0	0	113.8	W146 S147 E148 N184 R206 K210 S211 Y212	W146-I208 HydrophobicContact CD2-CD1 4Å; W146-I208 HydrophobicContact CE3-CD1 3.38Å; W146-I208 HydrophobicContact CH2-CD1 4.02Å; W146-I208 HydrophobicContact CZ3-CD1 3.38Å; S147-I208 VanDerWaalsContact OG-CA 3.28Å; S147-I208 WeakPolarHBondContact OG-CA 3.26Å; S147-I208 WeakPolarHBondContact OG-CB 3.36Å; S147-I208 PolarHBondContact OG-N 2.84Å; E148-I208 HydrophobicContact CG-CB 3.96Å; E148-I208 HydrophobicContact CG-CD1 4.45Å; E148-I208 HydrophobicContact CG-CG2 4.01Å; E148-I208 WeakPolarHBondContact OE1-CB 3.31Å; E148-I208 WeakPolarHBondContact OE1-CG2 3.4Å; E148-I208 PolarHBondContact OE1-N 2.84Å; N184-I208 HydrophobicContact CB-CG2 4.01Å; N184-I208 VanDerWaalsContact O-CG2 3.25Å; N184-I208 WeakPolarHBondContact O-CG2 3.39Å; R206-I208 VanDerWaalsContact C-N 3.3Å; R206-I208 HydrophobicContact CB-CG2 4.24Å; R206-I208 PolarHBondContact O-N 3.38Å; I208-K210 PolarHBondContact O-N 2.98Å; I208-K210 VanDerWaalsContact O-N 3.11Å; I208-S211 WeakPolarHBondContact CG1-OG 3.45Å; I208-S211 WeakPolarHBondContact O-CB 3.29Å; I208-S211 PolarHBondContact O-N 3.44Å; I208-S211 PolarHBondContact O-OG 3.41Å; I208-Y212 HydrophobicContact CD1-CE1 4.35Å; I208-Y212 HydrophobicContact CG1-CE1 4.04Å; I208-Y212 HydrophobicContact CG2-CE2 4.41Å
209	W	95.1	Very high	95	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.015	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-55.7	-35	178	-70.4	16.8	0	0	0	111.9	G183 N184 D202 K205 R206 H207 S211 Y212 Q217 L220	G183-W209 PolarHBondContact O-NE1 3.14Å; N184-W209 VanDerWaalsContact O-CD1 3.25Å; N184-W209 PolarHBondContact O-NE1 3.15Å; D202-W209 HydrophobicContact CB-CH2 4.27Å; D202-W209 HydrophobicContact CB-CZ2 4.04Å; K205-W209 HydrophobicContact CB-CE3 4.13Å; K205-W209 HydrophobicContact CB-CZ3 4.21Å; K205-W209 HydrophobicContact CD-CE3 3.98Å; K205-W209 HydrophobicContact CG-CB 4.4Å; K205-W209 HydrophobicContact CG-CD2 4.02Å; K205-W209 HydrophobicContact CG-CE3 3.57Å; K205-W209 HydrophobicContact CG-CG 4.41Å; K205-W209 HydrophobicContact CG-CZ3 4.13Å; R206-W209 WeakPolarHBondContact O-CB 3.38Å; R206-W209 PolarHBondContact O-N 3.38Å; H207-W209 PolarHBondContact O-N 3.18Å; H207-W209 VanDerWaalsContact O-N 3.16Å; W209-S211 PolarHBondContact O-N 2.92Å; W209-Y212 PolarHBondContact O-N 2.83Å; W209-Q217 VanDerWaalsContact O-CG 3.24Å; W209-Q217 WeakPolarHBondContact O-CG 3.39Å; W209-L220 HydrophobicContact CB-CD1 4.22Å; W209-L220 HydrophobicContact CD2-CB 3.81Å; W209-L220 HydrophobicContact CD2-CD1 3.75Å; W209-L220 HydrophobicContact CD2-CG 4.3Å; W209-L220 HydrophobicContact CE3-CB 3.46Å; W209-L220 VanDerWaalsContact CE3-CB 3.46Å; W209-L220 HydrophobicContact CE3-CD1 4.22Å; W209-L220 HydrophobicContact CE3-CG 4.43Å; W209-L220 HydrophobicContact CG-CD1 3.74Å; W209-L220 HydrophobicContact CH2-CB 3.85Å; W209-L220 HydrophobicContact CZ2-CB 4.13Å; W209-L220 HydrophobicContact CZ2-CD2 4.33Å; W209-L220 HydrophobicContact CZ3-CB 3.51Å
210	K	94.4	Very high	95	Very high	151 Å²	151	53.8 Å²	53.8	66%	0.657	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-66	-18.2	178.7	-63.5	-176.4	178.8	-175.5	0	113.4	H207 I208 Q217	H207-K210 PolarHBondContact O-N 2.96Å; I208-K210 PolarHBondContact O-N 2.98Å; I208-K210 VanDerWaalsContact O-N 3.11Å; K210-Q217 PolarHBondContact O-NE2 3Å
211	S	93.2	Very high	94.9	Very high	69 Å²	69	57.8 Å²	57.8	48%	0.483	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-87.1	-16.6	-179.4	77.1	0	0	0	0	113.2	I208 W209	I208-S211 WeakPolarHBondContact CG1-OG 3.45Å; I208-S211 WeakPolarHBondContact O-CB 3.29Å; I208-S211 PolarHBondContact O-N 3.44Å; I208-S211 PolarHBondContact O-OG 3.41Å; W209-S211 PolarHBondContact O-N 2.92Å
212	Y	95.3	Very high	94.8	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.035	30%	0.304	C	S	.	.	S	Bend	trans	-77.3	159.1	179.6	-59.1	-33.9	0	0	0	112.3	L142 N184 Y189 I208 W209 V216 Q217 L220	L142-Y212 HydrophobicContact CD2-CE1 4.4Å; N184-Y212 VanDerWaalsContact O-CE2 3.24Å; N184-Y212 WeakPolarHBondContact O-CE2 3.43Å; N184-Y212 PolarHBondContact O-OH 2.99Å; Y189-Y212 AromaticContact CD1-CD1 3.75Å; Y189-Y212 HydrophobicContact CD1-CD1 3.75Å; Y189-Y212 AromaticContact CD1-CE1 3.78Å; Y189-Y212 HydrophobicContact CD1-CE1 3.78Å; Y189-Y212 HydrophobicContact CD1-CG 4.42Å; Y189-Y212 HydrophobicContact CE1-CD1 4.16Å; Y189-Y212 HydrophobicContact CE1-CE1 4.4Å; Y189-Y212 HydrophobicContact CG-CD1 4.1Å; Y189-Y212 HydrophobicContact CG-CE1 4.35Å; Y189-Y212 HydrophobicContact CG-CG 4.33Å; I208-Y212 HydrophobicContact CD1-CE1 4.35Å; I208-Y212 HydrophobicContact CG1-CE1 4.04Å; I208-Y212 HydrophobicContact CG2-CE2 4.41Å; W209-Y212 PolarHBondContact O-N 2.83Å; Y212-V216 HydrophobicContact CD2-CG1 4.26Å; Y212-V216 HydrophobicContact CG-CG1 4.41Å; Y212-Q217 PolarHBondContact O-NE2 2.64Å; Y212-L220 HydrophobicContact CD2-CD1 3.68Å; Y212-L220 HydrophobicContact CE2-CD1 4.03Å
213	P	95.5	Very high	94.7	Very high	57 Å²	57	65.8 Å²	65.8	37%	0.37	32%	0.321	S	S	.	.			trans	-53.6	146.8	172.7	-26.1	35.2	0	0	0	112.6	Y189 S215 V216 Q217	Y189-P213 HydrophobicContact CE2-CG 3.99Å; P213-S215 PolarHBondContact O-N 3.41Å; P213-V216 HydrophobicContact CB-CG2 4.24Å; P213-V216 HydrophobicContact CG-CG2 4.4Å; P213-V216 WeakPolarHBondContact O-CA 3.41Å; P213-V216 WeakPolarHBondContact O-CB 3.29Å; P213-V216 PolarHBondContact O-N 3.49Å; P213-Q217 PolarHBondContact O-N 3.49Å
214	L	96.7	Very high	94.6	Very high	125 Å²	125	68.5 Å²	68.5	65%	0.654	34%	0.341	S	S	*	.	H	α-helix	trans	-56	-37.1	-178.4	-75	171.8	0	0	0	113	V216 Q217 Q218	L214-V216 PolarHBondContact O-N 2.99Å; L214-Q217 PolarHBondContact O-N 2.9Å; L214-Q218 WeakPolarHBondContact O-CG 3.28Å; L214-Q218 PolarHBondContact O-N 3.3Å
215	S	96.1	Very high	94.6	Very high	72 Å²	72	66.4 Å²	66.4	50%	0.503	33%	0.334	S	S	.	.	H	α-helix	trans	-58.5	-30.9	175.3	53.2	0	0	0	0	113.1	P213 R219	P213-S215 PolarHBondContact O-N 3.41Å; S215-R219 WeakPolarHBondContact O-CG 3.43Å
216	V	96.9	Very high	94.7	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-86	-42.1	178	178.2	0	0	0	0	110.1	Y189 Y212 P213 L214 Q218 R219 L220	Y189-V216 HydrophobicContact CD2-CB 4.22Å; Y189-V216 HydrophobicContact CD2-CG1 3.89Å; Y189-V216 HydrophobicContact CD2-CG2 3.55Å; Y189-V216 HydrophobicContact CE2-CG2 4.06Å; Y189-V216 HydrophobicContact CG-CG1 4.18Å; Y212-V216 HydrophobicContact CD2-CG1 4.26Å; Y212-V216 HydrophobicContact CG-CG1 4.41Å; P213-V216 HydrophobicContact CB-CG2 4.24Å; P213-V216 HydrophobicContact CG-CG2 4.4Å; P213-V216 WeakPolarHBondContact O-CA 3.41Å; P213-V216 WeakPolarHBondContact O-CB 3.29Å; P213-V216 PolarHBondContact O-N 3.49Å; L214-V216 PolarHBondContact O-N 2.99Å; V216-Q218 PolarHBondContact O-N 2.96Å; V216-R219 WeakPolarHBondContact O-CA 3.35Å; V216-R219 WeakPolarHBondContact O-CB 3.4Å; V216-R219 PolarHBondContact O-N 3.48Å; V216-L220 HydrophobicContact CG1-CD1 4.26Å; V216-L220 PolarHBondContact O-N 3.4Å
217	Q	97.5	Very high	94.9	Very high	50 Å²	50	62 Å²	62	23%	0.234	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-37.9	175.8	-65.6	-168.9	43.2	0	0	112	W209 K210 Y212 P213 L214 R219 L220	W209-Q217 VanDerWaalsContact O-CG 3.24Å; W209-Q217 WeakPolarHBondContact O-CG 3.39Å; K210-Q217 PolarHBondContact O-NE2 3Å; Y212-Q217 PolarHBondContact O-NE2 2.64Å; P213-Q217 PolarHBondContact O-N 3.49Å; L214-Q217 PolarHBondContact O-N 2.9Å; Q217-R219 PolarHBondContact O-N 3.13Å; Q217-L220 PolarHBondContact O-N 3.36Å
218	Q	97.2	Very high	95	Very high	136 Å²	136	58.2 Å²	58.2	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.5	176.5	-72.2	171.2	-4.3	0	0	113.4	L214 V216 K221	L214-Q218 WeakPolarHBondContact O-CG 3.28Å; L214-Q218 PolarHBondContact O-N 3.3Å; V216-Q218 PolarHBondContact O-N 2.96Å; Q218-K221 VanDerWaalsContact O-CE 3.24Å; Q218-K221 WeakPolarHBondContact O-CE 3.12Å; Q218-K221 PolarHBondContact O-NZ 3.45Å
219	R	97.7	Very high	94.9	Very high	87 Å²	87	64 Å²	64	33%	0.328	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-11.4	178.6	-65.3	174.5	178.4	-91.5	4.7	113.1	G198 I199 G200 S215 V216 Q217	G198-R219 WeakPolarHBondContact O-CD 3.46Å; G198-R219 PolarHBondContact O-NH1 2.86Å; I199-R219 VanDerWaalsContact CA-O 3.25Å; I199-R219 WeakPolarHBondContact CA-O 3.45Å; I199-R219 VanDerWaalsContact CB-O 3.25Å; I199-R219 WeakPolarHBondContact CB-O 3.17Å; I199-R219 HydrophobicContact CG2-CB 4.34Å; G200-R219 PolarHBondContact N-O 3.44Å; S215-R219 WeakPolarHBondContact O-CG 3.43Å; V216-R219 WeakPolarHBondContact O-CA 3.35Å; V216-R219 WeakPolarHBondContact O-CB 3.4Å; V216-R219 PolarHBondContact O-N 3.48Å; Q217-R219 PolarHBondContact O-N 3.13Å
220	L	98.2	Very high	94.8	Very high	11 Å²	11	65.6 Å²	65.6	6%	0.058	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.5	175	-64.6	170.7	0	0	0	109.9	T188 G200 W209 Y212 V216 Q217	T188-L220 HydrophobicContact CG2-CD2 3.8Å; G200-L220 CarbonylContact O-C 3.52Å; G200-L220 WeakPolarHBondContact O-CA 3.45Å; W209-L220 HydrophobicContact CB-CD1 4.22Å; W209-L220 HydrophobicContact CD2-CB 3.81Å; W209-L220 HydrophobicContact CD2-CD1 3.75Å; W209-L220 HydrophobicContact CD2-CG 4.3Å; W209-L220 HydrophobicContact CE3-CB 3.46Å; W209-L220 VanDerWaalsContact CE3-CB 3.46Å; W209-L220 HydrophobicContact CE3-CD1 4.22Å; W209-L220 HydrophobicContact CE3-CG 4.43Å; W209-L220 HydrophobicContact CG-CD1 3.74Å; W209-L220 HydrophobicContact CH2-CB 3.85Å; W209-L220 HydrophobicContact CZ2-CB 4.13Å; W209-L220 HydrophobicContact CZ2-CD2 4.33Å; W209-L220 HydrophobicContact CZ3-CB 3.51Å; Y212-L220 HydrophobicContact CD2-CD1 3.68Å; Y212-L220 HydrophobicContact CE2-CD1 4.03Å; V216-L220 HydrophobicContact CG1-CD1 4.26Å; V216-L220 PolarHBondContact O-N 3.4Å; Q217-L220 PolarHBondContact O-N 3.36Å
221	K	96.9	Very high	94.6	Very high	85 Å²	85	63.8 Å²	63.8	37%	0.37	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124	-171.5	-53.9	-57.5	-169.5	-175.8	0	110.5	G200 I201 D202 Q218 I223	G200-K221 PolarHBondContact O-N 2.91Å; I201-K221 WeakPolarHBondContact CA-O 3.43Å; I201-K221 HydrophobicContact CG1-CB 4.32Å; D202-K221 PolarHBondContact N-O 2.94Å; Q218-K221 VanDerWaalsContact O-CE 3.24Å; Q218-K221 WeakPolarHBondContact O-CE 3.12Å; Q218-K221 PolarHBondContact O-NZ 3.45Å; K221-I223 HydrophobicContact CB-CD1 3.73Å; K221-I223 HydrophobicContact CB-CG1 3.96Å; K221-I223 HydrophobicContact CG-CD1 4.42Å; K221-I223 PolarHBondContact O-N 3.3Å
222	E	95.5	Very high	94.6	Very high	107 Å²	107	61 Å²	61	50%	0.5	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	98.7	170	-177.5	168.9	-145.4	0	0	108.6	D202 R204 K205	D202-E222 CarbonylContact O-C 3.55Å; D202-E222 VanDerWaalsContact O-CA 3.25Å; D202-E222 WeakPolarHBondContact O-CA 3.43Å; R204-E222 WeakPolarHBondContact CA-OE1 3.42Å; K205-E222 HydrophobicContact CB-CB 4.33Å; K205-E222 HydrophobicContact CB-CG 4.4Å; K205-E222 WeakPolarHBondContact CB-OE2 3.48Å; K205-E222 VanDerWaalsContact N-CD 3.25Å; K205-E222 PolarHBondContact N-OE1 3Å
223	I	93	Very high	94.7	Very high	85 Å²	85	61.4 Å²	61.4	44%	0.436	33%	0.331	S	S	.	.			trans	-138	126.8	-176.6	-56.2	173.1	0	0	0	109	I201 D202 K221 L225	I201-I223 HydrophobicContact CG2-CB 3.87Å; D202-I223 PolarHBondContact O-N 3.15Å; K221-I223 HydrophobicContact CB-CD1 3.73Å; K221-I223 HydrophobicContact CB-CG1 3.96Å; K221-I223 HydrophobicContact CG-CD1 4.42Å; K221-I223 PolarHBondContact O-N 3.3Å; I223-L225 PolarHBondContact O-N 3.28Å
224	S	90.6	Very high	94.6	Very high	78 Å²	78	64 Å²	64	55%	0.545	35%	0.348	S	S	.	.			trans	-75.5	109.1	169	178.9	0	0	0	0	109.4
225	L	90.8	Very high	94.5	Very high	16 Å²	16	62.8 Å²	62.8	8%	0.084	34%	0.339	C	S	.	.			trans	-99.1	118.7	-177.6	-172.5	130.9	0	0	0	111.2	L180 I223 P227 V230 F233 L247 L254	L180-L225 HydrophobicContact CD2-CD1 4.2Å; I223-L225 PolarHBondContact O-N 3.28Å; L225-P227 HydrophobicContact CD2-CB 4.08Å; L225-V230 HydrophobicContact CD1-CG1 4.49Å; L225-V230 HydrophobicContact CD1-CG2 4.06Å; L225-V230 HydrophobicContact CG-CG2 3.98Å; L225-F233 HydrophobicContact CD1-CE1 4.45Å; L225-F233 HydrophobicContact CD1-CE2 4.34Å; L225-F233 HydrophobicContact CD1-CZ 3.55Å; L225-L247 HydrophobicContact CD2-CD2 3.78Å; L225-L254 HydrophobicContact CD2-CD1 4.06Å
226	N	93.3	Very high	94.6	Very high	37 Å²	37	59.7 Å²	59.7	20%	0.198	32%	0.318	C	S	.	.			trans	-96.6	109.4	162.7	-173.5	-0.8	0	0	0	109.2	E228 D229 V230 V379	N226-E228 PolarHBondContact O-N 2.95Å; N226-E228 WeakPolarHBondContact OD1-CB 3.46Å; N226-E228 PolarHBondContact OD1-N 3.45Å; N226-D229 HydrophobicContact CB-CB 4.33Å; N226-D229 WeakPolarHBondContact CB-OD2 3.38Å; N226-D229 PolarHBondContact ND2-OD2 3.09Å; N226-D229 PolarHBondContact O-N 3.44Å; N226-D229 VanDerWaalsContact O-N 3.13Å; N226-V230 WeakPolarHBondContact O-CG2 3.03Å; N226-V230 PolarHBondContact O-N 3.12Å; N226-V230 VanDerWaalsContact O-N 3.16Å; N226-V379 HydrophobicContact CB-CG2 4.48Å
227	P	94.5	Very high	94.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.3	-177.3	30.6	-36.6	0	0	0	113.6	L225 L247 W250 L254 K257 F377	L225-P227 HydrophobicContact CD2-CB 4.08Å; P227-L247 HydrophobicContact CG-CD2 4.25Å; P227-W250 HydrophobicContact CB-CB 3.79Å; P227-W250 HydrophobicContact CB-CD2 3.53Å; P227-W250 HydrophobicContact CB-CE3 3.6Å; P227-W250 HydrophobicContact CB-CG 3.64Å; P227-W250 HydrophobicContact CB-CZ3 4.35Å; P227-W250 HydrophobicContact CG-CB 4.07Å; P227-W250 HydrophobicContact CG-CD2 3.32Å; P227-W250 HydrophobicContact CG-CE3 3.81Å; P227-W250 HydrophobicContact CG-CG 3.44Å; P227-W250 VanDerWaalsContact CG-CG 3.44Å; P227-W250 HydrophobicContact CG-CZ2 4.17Å; P227-W250 HydrophobicContact CG-CZ3 4.41Å; P227-L254 HydrophobicContact CB-CD1 4.1Å; P227-L254 HydrophobicContact CB-CD2 4.18Å; P227-L254 HydrophobicContact CB-CG 4.27Å; P227-K257 PolarHBondContact O-NZ 3.06Å; P227-F377 HydrophobicContact CG-CD1 4.01Å; P227-F377 HydrophobicContact CG-CD2 3.99Å; P227-F377 HydrophobicContact CG-CE1 4.1Å; P227-F377 HydrophobicContact CG-CE2 4.11Å; P227-F377 HydrophobicContact CG-CG 3.93Å; P227-F377 HydrophobicContact CG-CZ 4.15Å
228	E	93.3	Very high	94.7	Very high	38 Å²	38	59 Å²	59	18%	0.178	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-44.6	171.9	-62.5	-173.7	92.3	0	0	110.8	N226 W250 K257 R367 F377	N226-E228 PolarHBondContact O-N 2.95Å; N226-E228 WeakPolarHBondContact OD1-CB 3.46Å; N226-E228 PolarHBondContact OD1-N 3.45Å; E228-W250 HydrophobicContact CG-CH2 3.56Å; E228-W250 HydrophobicContact CG-CZ2 4.04Å; E228-W250 HydrophobicContact CG-CZ3 4.23Å; E228-K257 PolarHBondContact O-NZ 3.09Å; E228-R367 IonicContact OE1-CZ 3.05Å; E228-R367 IonicContact OE1-NE 2.72Å; E228-R367 IonicContact OE1-NH2 3.36Å; E228-R367 PolarHBondContact OE1-NH2 3.42Å; E228-F377 HydrophobicContact CG-CB 4.17Å; E228-F377 WeakPolarHBondContact OE2-CB 3.45Å; E228-F377 PolarHBondContact OE2-N 2.94Å
229	D	91.7	Very high	94.7	Very high	124 Å²	124	52.5 Å²	52.5	66%	0.663	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-21.8	-172.6	-55.1	-31.9	0	0	0	113.2	N226	N226-D229 HydrophobicContact CB-CB 4.33Å; N226-D229 WeakPolarHBondContact CB-OD2 3.38Å; N226-D229 PolarHBondContact ND2-OD2 3.09Å; N226-D229 PolarHBondContact O-N 3.44Å; N226-D229 VanDerWaalsContact O-N 3.13Å
230	V	91.8	Very high	94.8	Very high	37 Å²	37	48.3 Å²	48.3	22%	0.224	27%	0.269	C	S	.	.			trans	-79	127.9	-176.7	171.8	0	0	0	0	110.9	L225 N226 G232 F233 L254 K257	L225-V230 HydrophobicContact CD1-CG1 4.49Å; L225-V230 HydrophobicContact CD1-CG2 4.06Å; L225-V230 HydrophobicContact CG-CG2 3.98Å; N226-V230 WeakPolarHBondContact O-CG2 3.03Å; N226-V230 PolarHBondContact O-N 3.12Å; N226-V230 VanDerWaalsContact O-N 3.16Å; V230-G232 PolarHBondContact O-N 3.32Å; V230-F233 HydrophobicContact CG1-CE2 4.43Å; V230-F233 HydrophobicContact CG1-CZ 4.37Å; V230-L254 HydrophobicContact CB-CD2 4.33Å; V230-L254 HydrophobicContact CG1-CD2 4.19Å; V230-K257 VanDerWaalsContact O-CD 3.3Å; V230-K257 WeakPolarHBondContact O-CD 3.48Å; V230-K257 PolarHBondContact O-NZ 2.84Å
231	C	90.2	Very high	94.8	Very high	113 Å²	113	47.8 Å²	47.8	76%	0.764	27%	0.267	S	S	*	.			trans	-77.9	9.5	176.8	-58	0	0	0	0	114.2
232	G	94.1	Very high	94.8	Very high	12 Å²	12	44.6 Å²	44.6	12%	0.124	25%	0.254	C	S	.	.			trans	93.5	-167	-173.6	0	0	0	0	0	113.4	V230	V230-G232 PolarHBondContact O-N 3.32Å
233	F	96.5	Very high	94.7	Very high	17 Å²	17	41.2 Å²	41.2	8%	0.075	24%	0.238	C	C	.	.			trans	-128.2	78.2	-175	-59.4	-83.9	0	0	0	109.9	V178 L180 I201 L225 V230 Q235 A236 L239 S258	V178-F233 HydrophobicContact CB-CG 4.5Å; V178-F233 HydrophobicContact CG1-CD1 4.12Å; V178-F233 HydrophobicContact CG1-CE1 4.05Å; V178-F233 HydrophobicContact CG1-CE2 4.46Å; V178-F233 HydrophobicContact CG1-CG 4.35Å; V178-F233 HydrophobicContact CG1-CZ 4.21Å; V178-F233 HydrophobicContact CG2-CB 4.19Å; V178-F233 HydrophobicContact CG2-CD1 4.12Å; V178-F233 HydrophobicContact CG2-CG 4.16Å; L180-F233 HydrophobicContact CD1-CE2 3.95Å; L180-F233 HydrophobicContact CD2-CE1 4.47Å; L180-F233 HydrophobicContact CD2-CE2 3.83Å; L180-F233 HydrophobicContact CD2-CZ 3.58Å; L180-F233 HydrophobicContact CG-CE2 4.41Å; I201-F233 HydrophobicContact CD1-CE1 3.65Å; I201-F233 HydrophobicContact CD1-CZ 4.1Å; L225-F233 HydrophobicContact CD1-CE1 4.45Å; L225-F233 HydrophobicContact CD1-CE2 4.34Å; L225-F233 HydrophobicContact CD1-CZ 3.55Å; V230-F233 HydrophobicContact CG1-CE2 4.43Å; V230-F233 HydrophobicContact CG1-CZ 4.37Å; F233-Q235 VanDerWaalsContact C-OE1 3.32Å; F233-Q235 PolarHBondContact O-N 2.97Å; F233-A236 HydrophobicContact CB-CB 3.85Å; F233-A236 WeakPolarHBondContact O-CB 3.25Å; F233-A236 PolarHBondContact O-N 2.82Å; F233-L239 HydrophobicContact CB-CD2 4.27Å; F233-L239 HydrophobicContact CD2-CD1 4.24Å; F233-L239 HydrophobicContact CD2-CD2 3.74Å; F233-L239 HydrophobicContact CE2-CD2 4.48Å; F233-L239 HydrophobicContact CG-CD2 4.25Å; F233-S258 PolarHBondContact N-OG 2.99Å
234	P	94.9	Very high	94.8	Very high	112 Å²	112	37.4 Å²	37.4	73%	0.727	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.4	-171.8	24.1	-34.7	0	0	0	114.5	A236 S258	P234-A236 VanDerWaalsContact C-N 3.33Å; P234-S258 WeakPolarHBondContact CA-O 3.41Å
235	Q	94.5	Very high	94.9	Very high	99 Å²	99	35.3 Å²	35.3	46%	0.463	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.5	174.6	74.4	-77.9	11.3	0	0	113.6	N176 F233	N176-Q235 PolarHBondContact ND2-O 2.84Å; F233-Q235 VanDerWaalsContact C-OE1 3.32Å; F233-Q235 PolarHBondContact O-N 2.97Å
236	A	97.1	Very high	95	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	20%	0.202	C	C	.	.			trans	-92.7	140	-174.2	0	0	0	0	0	110.7	N176 V178 F233 P234 L239	N176-A236 CarbonylContact O-C 3.57Å; N176-A236 VanDerWaalsContact O-CA 3.29Å; N176-A236 WeakPolarHBondContact O-CA 3.31Å; V178-A236 HydrophobicContact CB-CB 4.41Å; V178-A236 HydrophobicContact CG2-CB 3.65Å; F233-A236 HydrophobicContact CB-CB 3.85Å; F233-A236 WeakPolarHBondContact O-CB 3.25Å; F233-A236 PolarHBondContact O-N 2.82Å; P234-A236 VanDerWaalsContact C-N 3.33Å; A236-L239 HydrophobicContact CB-CD2 4.21Å
237	N	97.5	Very high	95.1	Very high	35 Å²	35	34.7 Å²	34.7	19%	0.187	20%	0.197	C	C	.	.	S	Bend	trans	-106.9	-7	167.9	64.2	4.7	0	0	0	112.7	H174 N176 K263	H174-N237 PolarHBondContact O-ND2 2.93Å; N176-N237 PolarHBondContact N-OD1 2.85Å; N176-N237 PolarHBondContact O-N 3.32Å; N176-N237 PolarHBondContact O-OD1 3.41Å; N176-N237 VanDerWaalsContact O-OD1 3.07Å; N237-K263 PolarHBondContact O-N 3.21Å
238	W	98.6	Very high	95.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129	172.6	-81.8	85.8	0	0	0	111.5	L169 W170 E173 V175 N176 F177 V178 K263 F265 V337 R339	L169-W238 HydrophobicContact CD2-CH2 3.86Å; L169-W238 HydrophobicContact CD2-CZ3 4.21Å; W170-W238 AromaticContact CD1-CE2 3.43Å; W170-W238 VanDerWaalsContact CD1-CE2 3.43Å; W170-W238 AromaticContact CD1-CH2 3.96Å; W170-W238 AromaticContact CD1-CZ2 3.4Å; W170-W238 VanDerWaalsContact CD1-CZ2 3.4Å; W170-W238 AromaticContact CD1-NE1 3.74Å; W170-W238 AromaticContact CE2-CD2 3.98Å; W170-W238 HydrophobicContact CZ2-CB 4.37Å; W170-W238 HydrophobicContact CZ2-CD2 4.28Å; W170-W238 HydrophobicContact CZ2-CE3 4.46Å; W170-W238 HydrophobicContact CZ2-CG 4.24Å; W170-W238 AromaticContact NE1-CD1 3.97Å; W170-W238 AromaticContact NE1-CD2 3.18Å; W170-W238 AromaticContact NE1-CE2 3.09Å; W170-W238 AromaticContact NE1-CE3 3.49Å; W170-W238 AromaticContact NE1-CG 3.76Å; W170-W238 AromaticContact NE1-CH2 3.65Å; W170-W238 AromaticContact NE1-CZ2 3.35Å; W170-W238 AromaticContact NE1-CZ3 3.71Å; W170-W238 AromaticContact NE1-NE1 3.6Å; E173-W238 PolarHBondContact OE1-NE1 2.72Å; V175-W238 HydrophobicContact CG1-CB 4.11Å; V175-W238 HydrophobicContact CG1-CG 4.12Å; N176-W238 PolarHBondContact O-N 2.98Å; F177-W238 CarbonylContact C-O 3.54Å; F177-W238 VanDerWaalsContact CA-O 3.23Å; F177-W238 WeakPolarHBondContact CA-O 3.41Å; F177-W238 HydrophobicContact CB-CB 4.16Å; V178-W238 PolarHBondContact N-O 3.15Å; W238-K263 CarbonylContact C-O 3.53Å; W238-K263 WeakPolarHBondContact CA-O 3.31Å; W238-K263 HydrophobicContact CD2-CB 3.75Å; W238-K263 HydrophobicContact CD2-CD 4.41Å; W238-K263 HydrophobicContact CE3-CB 3.95Å; W238-K263 HydrophobicContact CG-CB 4.34Å; W238-K263 HydrophobicContact CH2-CB 4.08Å; W238-K263 HydrophobicContact CH2-CD 4.27Å; W238-K263 HydrophobicContact CZ2-CB 3.88Å; W238-K263 HydrophobicContact CZ2-CD 3.44Å; W238-K263 VanDerWaalsContact CZ2-CD 3.44Å; W238-K263 HydrophobicContact CZ2-CG 4.3Å; W238-K263 HydrophobicContact CZ3-CB 4.11Å; W238-F265 HydrophobicContact CE3-CB 4.5Å; W238-F265 HydrophobicContact CZ3-CB 4.26Å; W238-V337 HydrophobicContact CH2-CG1 4.03Å; W238-V337 HydrophobicContact CZ3-CG1 4.19Å; W238-R339 HydrophobicContact CH2-CB 4.16Å; W238-R339 HydrophobicContact CZ2-CB 4.43Å
239	L	98.6	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.5	161.8	-59.5	-167.7	0	0	0	110.3	V178 L180 F233 A236 L251 L254 A255 K263 L264 F265	V178-L239 HydrophobicContact CB-CD2 3.78Å; V178-L239 HydrophobicContact CG1-CD2 4.47Å; V178-L239 HydrophobicContact CG2-CD2 4.46Å; V178-L239 WeakPolarHBondContact O-CA 3.21Å; L180-L239 HydrophobicContact CD1-CD1 4.3Å; F233-L239 HydrophobicContact CB-CD2 4.27Å; F233-L239 HydrophobicContact CD2-CD1 4.24Å; F233-L239 HydrophobicContact CD2-CD2 3.74Å; F233-L239 HydrophobicContact CE2-CD2 4.48Å; F233-L239 HydrophobicContact CG-CD2 4.25Å; A236-L239 HydrophobicContact CB-CD2 4.21Å; L239-L251 HydrophobicContact CB-CD1 3.85Å; L239-L254 VanDerWaalsContact CD1-C 3.49Å; L239-L254 HydrophobicContact CD1-CB 3.69Å; L239-A255 HydrophobicContact CD1-CB 3.95Å; L239-A255 VanDerWaalsContact CD1-N 3.28Å; L239-A255 HydrophobicContact CG-CB 4.31Å; L239-K263 PolarHBondContact N-O 3.49Å; L239-L264 HydrophobicContact CB-CB 4.43Å; L239-L264 CarbonylContact O-C 3.52Å; L239-L264 VanDerWaalsContact O-CA 3.26Å; L239-L264 WeakPolarHBondContact O-CA 3.06Å; L239-F265 PolarHBondContact O-N 2.81Å
240	I	98.8	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.8	176.6	-59.8	167.6	0	0	0	107.7	L166 W170 F177 V178 D179 L180 L187 L191 N242 F265	L166-I240 HydrophobicContact CD1-CD1 3.85Å; L166-I240 HydrophobicContact CD1-CG1 4.4Å; L166-I240 HydrophobicContact CD1-CG2 4.46Å; W170-I240 HydrophobicContact CH2-CD1 3.86Å; W170-I240 HydrophobicContact CZ2-CD1 4Å; W170-I240 HydrophobicContact CZ2-CG1 4.49Å; F177-I240 HydrophobicContact CB-CD1 3.88Å; F177-I240 HydrophobicContact CD2-CD1 3.82Å; F177-I240 HydrophobicContact CG-CD1 3.93Å; V178-I240 PolarHBondContact O-N 3.26Å; D179-I240 HydrophobicContact CB-CB 4.31Å; L180-I240 PolarHBondContact N-O 3.39Å; L187-I240 HydrophobicContact CD2-CG2 3.82Å; L191-I240 HydrophobicContact CD1-CD1 3.92Å; I240-N242 HydrophobicContact CG2-CB 4.42Å; I240-F265 CarbonylContact C-O 3.54Å; I240-F265 WeakPolarHBondContact CA-O 3.46Å; I240-F265 HydrophobicContact CG2-CD1 4.11Å
241	G	98.2	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	83.1	167.3	0	0	0	0	0	110	H243 F265 L267	G241-H243 PolarHBondContact O-N 3.45Å; G241-F265 PolarHBondContact N-O 3.15Å; G241-L267 PolarHBondContact O-N 3.05Å
242	N	97.1	Very high	96.2	Very high	18 Å²	18	19.9 Å²	19.9	10%	0.096	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	100.6	172.5	176.6	15	0	0	0	109.3	D159 I162 L187 I240 S244	D159-N242 PolarHBondContact OD1-ND2 3.43Å; I162-N242 VanDerWaalsContact CD1-OD1 3.29Å; I162-N242 WeakPolarHBondContact CD1-OD1 3.18Å; L187-N242 HydrophobicContact CD2-CB 3.82Å; I240-N242 HydrophobicContact CG2-CB 4.42Å; N242-S244 PolarHBondContact O-N 2.74Å
243	H	94.1	Very high	96.4	Very high	36 Å²	36	19.3 Å²	19.3	17%	0.167	10%	0.104	C	C	.	.	S	Bend	trans	55.3	37.8	177.9	-61.6	-39.2	0	0	0	113.4	E158 G241 D245 L267 C269 K332	E158-H243 IonicContact OE1-CD2 3.62Å; E158-H243 PolarHBondContact OE1-CD2 2.91Å; E158-H243 IonicContact OE1-NE2 2.94Å; E158-H243 PolarHBondContact OE1-NE2 3.39Å; E158-H243 VanDerWaalsContact OE1-NE2 3.15Å; G241-H243 PolarHBondContact O-N 3.45Å; H243-D245 PolarHBondContact O-N 2.89Å; H243-L267 WeakPolarHBondContact CA-O 3.44Å; H243-L267 VanDerWaalsContact CE1-CD2 3.45Å; H243-L267 WeakPolarHBondContact CE1-CD2 3.18Å; H243-L267 VanDerWaalsContact CE1-CG 3.43Å; H243-L267 WeakPolarHBondContact CE1-CG 3.11Å; H243-L267 PolarHBondContact N-O 3.37Å; H243-L267 VanDerWaalsContact N-O 3.16Å; H243-L267 PolarHBondContact ND1-O 2.87Å; H243-L267 VanDerWaalsContact ND1-O 3.09Å; H243-C269 VanDerWaalsContact CA-SG 3.53Å; H243-C269 HydrophobicContact CB-CB 4.35Å; H243-C269 VanDerWaalsContact CB-SG 3.57Å; H243-C269 WeakPolarHBondContact ND1-CB 3.32Å; H243-K332 PolarHBondContact CE1-O 3.36Å
244	S	94.4	Very high	96.4	Very high	5 Å²	5	18.5 Å²	18.5	4%	0.035	10%	0.101	C	C	.	.			trans	-76.2	19.6	-169.1	60	0	0	0	0	115.2	L180 N242 E246 L247 T248	L180-S244 WeakPolarHBondContact O-CB 3.24Å; N242-S244 PolarHBondContact O-N 2.74Å; S244-E246 PolarHBondContact O-N 2.73Å; S244-L247 WeakPolarHBondContact O-CB 3.1Å; S244-L247 PolarHBondContact O-N 3.2Å; S244-T248 PolarHBondContact OG-N 3.01Å; S244-T248 PolarHBondContact OG-OG1 2.79Å
245	D	92.4	Very high	96.5	Very high	34 Å²	34	13.1 Å²	13.1	18%	0.182	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	43.8	-117.3	175.2	-67.1	-39.9	0	0	0	113.3	H243 L247 T248 C270 Y272 R380	H243-D245 PolarHBondContact O-N 2.89Å; D245-L247 PolarHBondContact O-N 3.49Å; D245-T248 PolarHBondContact N-OG1 2.5Å; D245-T248 WeakPolarHBondContact O-CB 3.33Å; D245-T248 PolarHBondContact O-N 3.34Å; D245-T248 VanDerWaalsContact O-N 3.08Å; D245-T248 PolarHBondContact O-OG1 3.09Å; D245-C270 WeakPolarHBondContact OD1-CB 3.17Å; D245-C270 PolarHBondContact OD1-SG 2.84Å; D245-Y272 HydrophobicContact CB-CE2 4.18Å; D245-R380 VanDerWaalsContact CB-NH2 3.25Å; D245-R380 VanDerWaalsContact CG-NH2 3.31Å; D245-R380 IonicContact OD2-CZ 3.67Å; D245-R380 IonicContact OD2-NH1 3.86Å; D245-R380 PolarHBondContact OD2-NH1 3.31Å; D245-R380 IonicContact OD2-NH2 2.77Å; D245-R380 PolarHBondContact OD2-NH2 2.83Å
246	E	93.1	Very high	96.6	Very high	22 Å²	22	8.4 Å²	8.4	10%	0.103	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.6	-178.8	62.4	-88.6	-162	0	0	114.7	S244 Y272 F377 R380	S244-E246 PolarHBondContact O-N 2.73Å; E246-Y272 HydrophobicContact CB-CD1 3.71Å; E246-Y272 HydrophobicContact CB-CE1 3.86Å; E246-Y272 HydrophobicContact CB-CG 4.06Å; E246-F377 HydrophobicContact CB-CE2 4.04Å; E246-F377 HydrophobicContact CB-CZ 4.25Å; E246-F377 HydrophobicContact CG-CE2 3.99Å; E246-F377 HydrophobicContact CG-CZ 3.66Å; E246-R380 VanDerWaalsContact OE1-CB 3.23Å; E246-R380 WeakPolarHBondContact OE1-CB 3.37Å; E246-R380 IonicContact OE1-CZ 3.34Å; E246-R380 IonicContact OE1-NE 2.68Å; E246-R380 PolarHBondContact OE1-NE 2.72Å; E246-R380 IonicContact OE1-NH2 3.45Å; E246-R380 IonicContact OE2-CZ 2.71Å; E246-R380 IonicContact OE2-NE 3.71Å; E246-R380 IonicContact OE2-NH2 3.94Å; E246-R380 PolarHBondContact OE2-NH2 3.34Å
247	L	95.6	Very high	96.5	Very high	18 Å²	18	10 Å²	10	9%	0.094	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-81.6	-18.3	176.3	-66	175.6	0	0	0	112.4	L180 L225 P227 S244 D245 W250 L251 F377	L180-L247 HydrophobicContact CB-CD1 4.34Å; L225-L247 HydrophobicContact CD2-CD2 3.78Å; P227-L247 HydrophobicContact CG-CD2 4.25Å; S244-L247 WeakPolarHBondContact O-CB 3.1Å; S244-L247 PolarHBondContact O-N 3.2Å; D245-L247 PolarHBondContact O-N 3.49Å; L247-W250 CarbonylContact O-C 3.45Å; L247-W250 WeakPolarHBondContact O-CA 3.25Å; L247-W250 WeakPolarHBondContact O-CB 3.48Å; L247-W250 PolarHBondContact O-N 3.16Å; L247-L251 HydrophobicContact CB-CD2 4.01Å; L247-L251 WeakPolarHBondContact O-CD2 3.49Å; L247-L251 PolarHBondContact O-N 3.33Å; L247-L251 VanDerWaalsContact O-N 3.08Å; L247-F377 HydrophobicContact CD2-CE1 4.4Å; L247-F377 HydrophobicContact CD2-CE2 4.46Å; L247-F377 HydrophobicContact CD2-CZ 3.77Å
248	T	96.8	Very high	96.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-45.2	-52.3	-177.9	-57	0	0	0	0	113.9	S244 D245 W250 L251 V266 P268 Y306 I310	S244-T248 PolarHBondContact OG-N 3.01Å; S244-T248 PolarHBondContact OG-OG1 2.79Å; D245-T248 PolarHBondContact N-OG1 2.5Å; D245-T248 WeakPolarHBondContact O-CB 3.33Å; D245-T248 PolarHBondContact O-N 3.34Å; D245-T248 VanDerWaalsContact O-N 3.08Å; D245-T248 PolarHBondContact O-OG1 3.09Å; T248-W250 VanDerWaalsContact C-N 3.26Å; T248-W250 PolarHBondContact O-N 2.83Å; T248-L251 PolarHBondContact O-N 2.88Å; T248-V266 HydrophobicContact CG2-CG2 3.67Å; T248-P268 HydrophobicContact CG2-CB 3.76Å; T248-P268 HydrophobicContact CG2-CG 3.89Å; T248-Y306 HydrophobicContact CG2-CE1 4.47Å; T248-I310 HydrophobicContact CG2-CD1 3.97Å; T248-I310 HydrophobicContact CG2-CG1 4.32Å
249	P	96.3	Very high	96.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-71.5	-18.9	178.6	31	-38	0	0	0	113.7	P252 Y272 L274 Y309 I310 I313	P249-P252 WeakPolarHBondContact O-CD 3.43Å; P249-Y272 WeakPolarHBondContact CG-O 3.5Å; P249-L274 HydrophobicContact CB-CD2 3.83Å; P249-L274 HydrophobicContact CB-CG 4.5Å; P249-L274 HydrophobicContact CG-CD2 4.18Å; P249-Y309 HydrophobicContact CB-CE1 3.95Å; P249-I310 HydrophobicContact CB-CD1 3.98Å; P249-I313 HydrophobicContact CB-CD1 3.56Å
250	W	97	Very high	95.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-84.1	-18.3	177.4	-67.7	96.9	0	0	0	113.5	P227 E228 L247 T248 I253 L254 L274 F275 I363 F377	P227-W250 HydrophobicContact CB-CB 3.79Å; P227-W250 HydrophobicContact CB-CD2 3.53Å; P227-W250 HydrophobicContact CB-CE3 3.6Å; P227-W250 HydrophobicContact CB-CG 3.64Å; P227-W250 HydrophobicContact CB-CZ3 4.35Å; P227-W250 HydrophobicContact CG-CB 4.07Å; P227-W250 HydrophobicContact CG-CD2 3.32Å; P227-W250 HydrophobicContact CG-CE3 3.81Å; P227-W250 HydrophobicContact CG-CG 3.44Å; P227-W250 VanDerWaalsContact CG-CG 3.44Å; P227-W250 HydrophobicContact CG-CZ2 4.17Å; P227-W250 HydrophobicContact CG-CZ3 4.41Å; E228-W250 HydrophobicContact CG-CH2 3.56Å; E228-W250 HydrophobicContact CG-CZ2 4.04Å; E228-W250 HydrophobicContact CG-CZ3 4.23Å; L247-W250 CarbonylContact O-C 3.45Å; L247-W250 WeakPolarHBondContact O-CA 3.25Å; L247-W250 WeakPolarHBondContact O-CB 3.48Å; L247-W250 PolarHBondContact O-N 3.16Å; T248-W250 VanDerWaalsContact C-N 3.26Å; T248-W250 PolarHBondContact O-N 2.83Å; W250-I253 HydrophobicContact CE3-CB 4.38Å; W250-I253 HydrophobicContact CE3-CD1 3.9Å; W250-I253 HydrophobicContact CE3-CG2 4.1Å; W250-I253 HydrophobicContact CZ3-CD1 4.19Å; W250-I253 HydrophobicContact CZ3-CG2 4.38Å; W250-I253 WeakPolarHBondContact O-CB 3.22Å; W250-I253 PolarHBondContact O-N 2.75Å; W250-I253 VanDerWaalsContact O-N 3.14Å; W250-L254 HydrophobicContact CB-CD1 4.39Å; W250-L254 WeakPolarHBondContact O-CB 3.36Å; W250-L254 WeakPolarHBondContact O-CG 3.34Å; W250-L254 PolarHBondContact O-N 3.4Å; W250-L274 HydrophobicContact CD2-CD2 3.56Å; W250-L274 HydrophobicContact CE3-CD2 3.99Å; W250-L274 HydrophobicContact CG-CD2 3.89Å; W250-L274 HydrophobicContact CH2-CB 4.38Å; W250-L274 HydrophobicContact CH2-CD2 4.4Å; W250-L274 HydrophobicContact CZ2-CB 3.68Å; W250-L274 HydrophobicContact CZ2-CD2 4.02Å; W250-L274 HydrophobicContact CZ2-CG 4.32Å; W250-L274 HydrophobicContact CZ3-CD2 4.38Å; W250-L274 PolarHBondContact NE1-O 2.91Å; W250-F275 HydrophobicContact CH2-CE1 4.29Å; W250-F275 HydrophobicContact CH2-CZ 4.37Å; W250-F275 HydrophobicContact CZ2-CE1 4.09Å; W250-F275 HydrophobicContact CZ2-CZ 4.41Å; W250-I363 HydrophobicContact CH2-CG2 4.11Å; W250-I363 HydrophobicContact CZ3-CD1 4.02Å; W250-I363 HydrophobicContact CZ3-CG1 4.18Å; W250-I363 HydrophobicContact CZ3-CG2 4.47Å; W250-F377 AromaticContact CD1-CE2 3.83Å; W250-F377 AromaticContact CE2-CD2 3.99Å; W250-F377 HydrophobicContact CZ2-CB 4.36Å; W250-F377 HydrophobicContact CZ2-CD2 4.37Å; W250-F377 AromaticContact NE1-CD2 3.32Å; W250-F377 VanDerWaalsContact NE1-CD2 3.32Å; W250-F377 AromaticContact NE1-CE2 3.59Å
251	L	97.9	Very high	95.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-53.9	-47.6	-179	-96.8	-67.3	0	0	0	113.6	L180 L239 L247 T248 I253 L254 A255 L264 V266	L180-L251 HydrophobicContact CB-CD1 4.43Å; L180-L251 HydrophobicContact CB-CD2 4.41Å; L180-L251 HydrophobicContact CD1-CD1 3.87Å; L180-L251 HydrophobicContact CD1-CD2 4.36Å; L239-L251 HydrophobicContact CB-CD1 3.85Å; L247-L251 HydrophobicContact CB-CD2 4.01Å; L247-L251 WeakPolarHBondContact O-CD2 3.49Å; L247-L251 PolarHBondContact O-N 3.33Å; L247-L251 VanDerWaalsContact O-N 3.08Å; T248-L251 PolarHBondContact O-N 2.88Å; L251-I253 VanDerWaalsContact C-N 3.33Å; L251-I253 PolarHBondContact O-N 2.93Å; L251-L254 PolarHBondContact O-N 3.14Å; L251-A255 WeakPolarHBondContact O-CB 3.35Å; L251-A255 PolarHBondContact O-N 3.4Å; L251-L264 HydrophobicContact CB-CD1 4.34Å; L251-V266 HydrophobicContact CB-CG2 4.49Å
252	P	97.2	Very high	95.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-37.4	177.6	-17	29.7	0	0	0	112.8	P249 A255 C256 L264 I313 L314 C317	P249-P252 WeakPolarHBondContact O-CD 3.43Å; P252-A255 PolarHBondContact O-N 2.87Å; P252-C256 WeakPolarHBondContact O-CB 3.37Å; P252-C256 PolarHBondContact O-N 3.04Å; P252-L264 HydrophobicContact CB-CD1 3.94Å; P252-L264 HydrophobicContact CG-CD1 3.78Å; P252-I313 HydrophobicContact CB-CG2 4.1Å; P252-I313 HydrophobicContact CG-CB 4.4Å; P252-I313 HydrophobicContact CG-CG2 4.04Å; P252-L314 HydrophobicContact CB-CD1 4.16Å; P252-L314 HydrophobicContact CB-CG 4Å; P252-L314 HydrophobicContact CG-CD1 3.43Å; P252-L314 VanDerWaalsContact CG-CD1 3.43Å; P252-L314 HydrophobicContact CG-CG 3.82Å; P252-C317 VanDerWaalsContact C-SG 3.59Å; P252-C317 HydrophobicContact CB-CB 4.33Å
253	I	97.2	Very high	95.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-48.6	177.7	-65.6	174.2	0	0	0	109.9	W250 L251 A255 C256 K257 L274 I313 V359 I363	W250-I253 HydrophobicContact CE3-CB 4.38Å; W250-I253 HydrophobicContact CE3-CD1 3.9Å; W250-I253 HydrophobicContact CE3-CG2 4.1Å; W250-I253 HydrophobicContact CZ3-CD1 4.19Å; W250-I253 HydrophobicContact CZ3-CG2 4.38Å; W250-I253 WeakPolarHBondContact O-CB 3.22Å; W250-I253 PolarHBondContact O-N 2.75Å; W250-I253 VanDerWaalsContact O-N 3.14Å; L251-I253 VanDerWaalsContact C-N 3.33Å; L251-I253 PolarHBondContact O-N 2.93Å; I253-A255 VanDerWaalsContact C-N 3.32Å; I253-A255 PolarHBondContact O-N 3.4Å; I253-C256 WeakPolarHBondContact O-CB 3.31Å; I253-C256 PolarHBondContact O-N 3.39Å; I253-K257 HydrophobicContact CG2-CD 4.44Å; I253-K257 WeakPolarHBondContact O-CG 3.37Å; I253-K257 PolarHBondContact O-N 3.26Å; I253-L274 HydrophobicContact CD1-CD1 3.98Å; I253-L274 HydrophobicContact CD1-CD2 3.58Å; I253-L274 HydrophobicContact CD1-CG 4.47Å; I253-I313 HydrophobicContact CD1-CG2 4.28Å; I253-I313 HydrophobicContact CG1-CG2 4.04Å; I253-V359 HydrophobicContact CB-CG1 4.24Å; I253-V359 HydrophobicContact CG1-CG1 3.99Å; I253-V359 HydrophobicContact CG2-CG1 3.74Å; I253-I363 HydrophobicContact CD1-CD1 4.31Å; I253-I363 HydrophobicContact CD1-CG1 3.97Å; I253-I363 HydrophobicContact CG2-CD1 3.97Å
254	L	97.8	Very high	95.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.7	-36.7	177.7	-71.6	172.6	0	0	0	111.5	L180 L225 P227 V230 L239 W250 L251 C256 K257 S258	L180-L254 HydrophobicContact CD1-CD1 3.58Å; L225-L254 HydrophobicContact CD2-CD1 4.06Å; P227-L254 HydrophobicContact CB-CD1 4.1Å; P227-L254 HydrophobicContact CB-CD2 4.18Å; P227-L254 HydrophobicContact CB-CG 4.27Å; V230-L254 HydrophobicContact CB-CD2 4.33Å; V230-L254 HydrophobicContact CG1-CD2 4.19Å; L239-L254 VanDerWaalsContact CD1-C 3.49Å; L239-L254 HydrophobicContact CD1-CB 3.69Å; W250-L254 HydrophobicContact CB-CD1 4.39Å; W250-L254 WeakPolarHBondContact O-CB 3.36Å; W250-L254 WeakPolarHBondContact O-CG 3.34Å; W250-L254 PolarHBondContact O-N 3.4Å; L251-L254 PolarHBondContact O-N 3.14Å; L254-C256 VanDerWaalsContact C-N 3.34Å; L254-K257 PolarHBondContact O-N 3.17Å; L254-S258 WeakPolarHBondContact O-CB 3.39Å; L254-S258 PolarHBondContact O-N 3.33Å; L254-S258 PolarHBondContact O-OG 2.87Å
255	A	97.4	Very high	95.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-43.6	174.3	0	0	0	0	0	110.3	L239 L251 P252 I253 K257 S258 C262 L264 F319	L239-A255 HydrophobicContact CD1-CB 3.95Å; L239-A255 VanDerWaalsContact CD1-N 3.28Å; L239-A255 HydrophobicContact CG-CB 4.31Å; L251-A255 WeakPolarHBondContact O-CB 3.35Å; L251-A255 PolarHBondContact O-N 3.4Å; P252-A255 PolarHBondContact O-N 2.87Å; I253-A255 VanDerWaalsContact C-N 3.32Å; I253-A255 PolarHBondContact O-N 3.4Å; A255-K257 PolarHBondContact O-N 3.07Å; A255-S258 PolarHBondContact O-N 2.86Å; A255-C262 WeakPolarHBondContact O-CB 3.4Å; A255-L264 HydrophobicContact CB-CB 4Å; A255-L264 HydrophobicContact CB-CD2 3.95Å; A255-L264 HydrophobicContact CB-CG 4.44Å; A255-F319 HydrophobicContact CB-CE2 4.06Å; A255-F319 HydrophobicContact CB-CZ 3.91Å
256	C	95.2	Very high	96	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-42.8	173	-167.2	0	0	0	0	112.2	P252 I253 L254 S258 C317 H352 V359	P252-C256 WeakPolarHBondContact O-CB 3.37Å; P252-C256 PolarHBondContact O-N 3.04Å; I253-C256 WeakPolarHBondContact O-CB 3.31Å; I253-C256 PolarHBondContact O-N 3.39Å; L254-C256 VanDerWaalsContact C-N 3.34Å; C256-S258 VanDerWaalsContact C-N 3.27Å; C256-S258 PolarHBondContact O-N 3.24Å; C256-C317 HydrophobicContact CB-CB 4.2Å; C256-H352 PolarHBondContact O-CE1 3.44Å; C256-V359 HydrophobicContact CB-CG2 4.49Å
257	K	96	Very high	96.2	Very high	39 Å²	39	13.8 Å²	13.8	17%	0.17	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-28.1	175.7	-70.7	-178	174	-174.2	0	113.3	P227 E228 V230 I253 L254 A255 G259 L356	P227-K257 PolarHBondContact O-NZ 3.06Å; E228-K257 PolarHBondContact O-NZ 3.09Å; V230-K257 VanDerWaalsContact O-CD 3.3Å; V230-K257 WeakPolarHBondContact O-CD 3.48Å; V230-K257 PolarHBondContact O-NZ 2.84Å; I253-K257 HydrophobicContact CG2-CD 4.44Å; I253-K257 WeakPolarHBondContact O-CG 3.37Å; I253-K257 PolarHBondContact O-N 3.26Å; L254-K257 PolarHBondContact O-N 3.17Å; A255-K257 PolarHBondContact O-N 3.07Å; K257-G259 VanDerWaalsContact C-N 3.25Å; K257-G259 PolarHBondContact O-N 3.21Å; K257-L356 HydrophobicContact CG-CD2 4.11Å
258	S	95.9	Very high	96.3	Very high	9 Å²	9	12.9 Å²	12.9	6%	0.063	8%	0.08	C	C	.	.	H	α-helix	trans	-73.4	-16.2	-175.9	-59.2	0	0	0	0	113.5	F233 P234 L254 A255 C256	F233-S258 PolarHBondContact N-OG 2.99Å; P234-S258 WeakPolarHBondContact CA-O 3.41Å; L254-S258 WeakPolarHBondContact O-CB 3.39Å; L254-S258 PolarHBondContact O-N 3.33Å; L254-S258 PolarHBondContact O-OG 2.87Å; A255-S258 PolarHBondContact O-N 2.86Å; C256-S258 VanDerWaalsContact C-N 3.27Å; C256-S258 PolarHBondContact O-N 3.24Å
259	G	92.1	Very high	96.1	Very high	13 Å²	13	14 Å²	14	13%	0.134	9%	0.087	C	C	.	.			trans	140.3	169.2	175.2	0	0	0	0	0	113.1	K257 S261 C262	K257-G259 VanDerWaalsContact C-N 3.25Å; K257-G259 PolarHBondContact O-N 3.21Å; G259-S261 VanDerWaalsContact C-N 3.28Å; G259-S261 PolarHBondContact O-N 3.12Å; G259-C262 PolarHBondContact O-N 3.31Å
260	P	90.2	Very high	95.8	Very high	64 Å²	64	16.4 Å²	16.4	42%	0.416	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.3	-172.3	24.9	-34.1	0	0	0	113.4	H352 R355	P260-H352 HydrophobicContact CB-CB 4.36Å; P260-R355 PolarHBondContact O-NH1 2.96Å
261	S	90.1	Very high	95.6	Very high	93 Å²	93	18.4 Å²	18.4	65%	0.65	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-2.5	-176.5	58.9	0	0	0	0	114.3	G259 K263	G259-S261 VanDerWaalsContact C-N 3.28Å; G259-S261 PolarHBondContact O-N 3.12Å; S261-K263 PolarHBondContact O-N 3.21Å
262	C	96.1	Very high	95.4	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.02	13%	0.128	C	C	.	.			trans	-68.8	129	-179.7	-174	0	0	0	0	110.3	A255 G259 F319	A255-C262 WeakPolarHBondContact O-CB 3.4Å; G259-C262 PolarHBondContact O-N 3.31Å; C262-F319 VanDerWaalsContact O-CE1 3.31Å; C262-F319 WeakPolarHBondContact O-CE1 3.38Å; C262-F319 WeakPolarHBondContact O-CZ 3.44Å
263	K	97.9	Very high	95.1	Very high	50 Å²	50	21.7 Å²	21.7	22%	0.217	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	167.4	178.5	-56.6	170.2	-178.1	160.8	0	109.9	E173 N237 W238 L239 S261 G338 R339	E173-K263 IonicContact OE1-NZ 3.31Å; E173-K263 PolarHBondContact OE1-NZ 3.19Å; E173-K263 IonicContact OE2-NZ 3.56Å; E173-K263 PolarHBondContact OE2-NZ 2.92Å; N237-K263 PolarHBondContact O-N 3.21Å; W238-K263 CarbonylContact C-O 3.53Å; W238-K263 WeakPolarHBondContact CA-O 3.31Å; W238-K263 HydrophobicContact CD2-CB 3.75Å; W238-K263 HydrophobicContact CD2-CD 4.41Å; W238-K263 HydrophobicContact CE3-CB 3.95Å; W238-K263 HydrophobicContact CG-CB 4.34Å; W238-K263 HydrophobicContact CH2-CB 4.08Å; W238-K263 HydrophobicContact CH2-CD 4.27Å; W238-K263 HydrophobicContact CZ2-CB 3.88Å; W238-K263 HydrophobicContact CZ2-CD 3.44Å; W238-K263 VanDerWaalsContact CZ2-CD 3.44Å; W238-K263 HydrophobicContact CZ2-CG 4.3Å; W238-K263 HydrophobicContact CZ3-CB 4.11Å; L239-K263 PolarHBondContact N-O 3.49Å; S261-K263 PolarHBondContact O-N 3.21Å; K263-G338 CarbonylContact C-O 3.46Å; K263-G338 VanDerWaalsContact CA-O 3.29Å; K263-G338 WeakPolarHBondContact CA-O 3.23Å; K263-R339 HydrophobicContact CB-CB 4.29Å; K263-R339 HydrophobicContact CD-CB 3.89Å; K263-R339 HydrophobicContact CG-CB 4.07Å
264	L	98.5	Very high	95	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.1	174.7	71.2	151.4	0	0	0	114.5	L239 L251 P252 A255 L314 F319 V337 G338	L239-L264 HydrophobicContact CB-CB 4.43Å; L239-L264 CarbonylContact O-C 3.52Å; L239-L264 VanDerWaalsContact O-CA 3.26Å; L239-L264 WeakPolarHBondContact O-CA 3.06Å; L251-L264 HydrophobicContact CB-CD1 4.34Å; P252-L264 HydrophobicContact CB-CD1 3.94Å; P252-L264 HydrophobicContact CG-CD1 3.78Å; A255-L264 HydrophobicContact CB-CB 4Å; A255-L264 HydrophobicContact CB-CD2 3.95Å; A255-L264 HydrophobicContact CB-CG 4.44Å; L264-L314 HydrophobicContact CD1-CD2 4.37Å; L264-L314 HydrophobicContact CD1-CG 4.29Å; L264-F319 HydrophobicContact CD2-CD1 3.85Å; L264-F319 HydrophobicContact CD2-CD2 3.59Å; L264-F319 HydrophobicContact CD2-CE1 3.79Å; L264-F319 HydrophobicContact CD2-CE2 3.54Å; L264-F319 HydrophobicContact CD2-CG 3.75Å; L264-F319 HydrophobicContact CD2-CZ 3.64Å; L264-V337 WeakPolarHBondContact O-CA 3.41Å; L264-G338 PolarHBondContact N-O 3.46Å; L264-G338 PolarHBondContact O-N 3.39Å
265	F	98.8	Very high	94.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.6	163	171.1	-84.9	0	0	0	108.3	I162 Y165 L166 W238 L239 I240 G241 L267 L326 C335 V337	I162-F265 HydrophobicContact CG2-CE1 4.23Å; I162-F265 HydrophobicContact CG2-CZ 4.34Å; Y165-F265 HydrophobicContact CD1-CD2 4.41Å; Y165-F265 AromaticContact CD1-CE2 3.76Å; Y165-F265 HydrophobicContact CD1-CE2 3.76Å; Y165-F265 HydrophobicContact CE1-CD2 4.25Å; Y165-F265 AromaticContact CE1-CE2 3.77Å; Y165-F265 HydrophobicContact CE1-CE2 3.77Å; L166-F265 HydrophobicContact CD2-CB 3.87Å; L166-F265 HydrophobicContact CD2-CD1 4.16Å; L166-F265 HydrophobicContact CD2-CD2 3.67Å; L166-F265 HydrophobicContact CD2-CE2 4.23Å; L166-F265 HydrophobicContact CD2-CG 3.64Å; W238-F265 HydrophobicContact CE3-CB 4.5Å; W238-F265 HydrophobicContact CZ3-CB 4.26Å; L239-F265 PolarHBondContact O-N 2.81Å; I240-F265 CarbonylContact C-O 3.54Å; I240-F265 WeakPolarHBondContact CA-O 3.46Å; I240-F265 HydrophobicContact CG2-CD1 4.11Å; G241-F265 PolarHBondContact N-O 3.15Å; F265-L267 HydrophobicContact CE1-CB 3.82Å; F265-L267 HydrophobicContact CZ-CB 4.15Å; F265-L326 HydrophobicContact CZ-CD1 4.32Å; F265-L326 HydrophobicContact CZ-CD2 4.21Å; F265-C335 HydrophobicContact CD2-CB 4.12Å; F265-C335 HydrophobicContact CE1-CB 4.47Å; F265-C335 HydrophobicContact CE2-CB 3.35Å; F265-C335 HydrophobicContact CZ-CB 3.57Å; F265-V337 HydrophobicContact CD2-CG2 3.98Å
266	V	98.5	Very high	94.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.3	173.3	66.3	0	0	0	0	110.6	T248 L251 P268 I310 C335 I336	T248-V266 HydrophobicContact CG2-CG2 3.67Å; L251-V266 HydrophobicContact CB-CG2 4.49Å; V266-P268 HydrophobicContact CG1-CG 4.42Å; V266-P268 HydrophobicContact CG2-CG 4.13Å; V266-P268 WeakPolarHBondContact O-CD 3.47Å; V266-I310 HydrophobicContact CG1-CG2 4Å; V266-C335 CarbonylContact O-C 3.57Å; V266-C335 WeakPolarHBondContact O-CA 3.07Å; V266-C335 WeakPolarHBondContact O-CB 3.29Å; V266-I336 HydrophobicContact CG1-CB 3.85Å; V266-I336 WeakPolarHBondContact CG1-O 3.14Å; V266-I336 PolarHBondContact N-O 2.98Å; V266-I336 PolarHBondContact O-N 3.04Å
267	L	98.1	Very high	94	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	83.6	175.1	-175.4	59.6	0	0	0	109.9	I162 G241 H243 F265 L326 I328 I334 C335	I162-L267 HydrophobicContact CD1-CD2 3.61Å; I162-L267 HydrophobicContact CG1-CD2 4.07Å; G241-L267 PolarHBondContact O-N 3.05Å; H243-L267 WeakPolarHBondContact CA-O 3.44Å; H243-L267 VanDerWaalsContact CE1-CD2 3.45Å; H243-L267 WeakPolarHBondContact CE1-CD2 3.18Å; H243-L267 VanDerWaalsContact CE1-CG 3.43Å; H243-L267 WeakPolarHBondContact CE1-CG 3.11Å; H243-L267 PolarHBondContact N-O 3.37Å; H243-L267 VanDerWaalsContact N-O 3.16Å; H243-L267 PolarHBondContact ND1-O 2.87Å; H243-L267 VanDerWaalsContact ND1-O 3.09Å; F265-L267 HydrophobicContact CE1-CB 3.82Å; F265-L267 HydrophobicContact CZ-CB 4.15Å; L267-L326 HydrophobicContact CD1-CD1 3.73Å; L267-I328 HydrophobicContact CD2-CD1 3.93Å; L267-I334 WeakPolarHBondContact CD1-O 3.46Å; L267-C335 HydrophobicContact CD1-CB 4.14Å
268	P	96.7	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.			trans	-66.2	133.1	-174	-22.6	35.6	0	0	0	112.9	T248 V266 Y303 Y306 L307 I310 I334	T248-P268 HydrophobicContact CG2-CB 3.76Å; T248-P268 HydrophobicContact CG2-CG 3.89Å; V266-P268 HydrophobicContact CG1-CG 4.42Å; V266-P268 HydrophobicContact CG2-CG 4.13Å; V266-P268 WeakPolarHBondContact O-CD 3.47Å; P268-Y303 WeakPolarHBondContact O-CE2 3.47Å; P268-Y303 PolarHBondContact O-OH 3.46Å; P268-Y306 HydrophobicContact CB-CD1 4.23Å; P268-Y306 HydrophobicContact CB-CE1 3.8Å; P268-L307 HydrophobicContact CB-CD2 4.09Å; P268-L307 HydrophobicContact CG-CD2 3.9Å; P268-I310 HydrophobicContact CG-CG1 4.28Å; P268-I310 HydrophobicContact CG-CG2 4.45Å; P268-I334 WeakPolarHBondContact CD-O 3.26Å
269	C	92.6	Very high	93.1	Very high	23 Å²	23	34.9 Å²	34.9	16%	0.155	20%	0.195	C	C	.	.			trans	-120.6	-62.6	173.8	54.9	0	0	0	0	113.1	H243 K332	H243-C269 VanDerWaalsContact CA-SG 3.53Å; H243-C269 HydrophobicContact CB-CB 4.35Å; H243-C269 VanDerWaalsContact CB-SG 3.57Å; H243-C269 WeakPolarHBondContact ND1-CB 3.32Å; C269-K332 HydrophobicContact CB-CB 4.11Å; C269-K332 HydrophobicContact CB-CG 4.2Å
270	C	91.2	Very high	92.1	Very high	50 Å²	50	35.5 Å²	35.5	34%	0.338	20%	0.195	S	C	.	.	S	Bend	trans	-92.4	129.6	-177.1	-66.8	0	0	0	0	109.8	D245 Y272 Y306	D245-C270 WeakPolarHBondContact OD1-CB 3.17Å; D245-C270 PolarHBondContact OD1-SG 2.84Å; C270-Y272 HydrophobicContact CB-CD2 3.94Å; C270-Y272 HydrophobicContact CB-CE2 3.78Å; C270-Y272 PolarHBondContact O-N 3.06Å; C270-Y272 VanDerWaalsContact O-N 3.07Å; C270-Y306 PolarHBondContact O-OH 3.48Å
271	P	92	Very high	91	Very high	43 Å²	43	36 Å²	36	28%	0.279	20%	0.198	S	C	.	.			trans	-80.5	99.8	-173.1	34.6	-36.4	0	0	0	110.7	F278 Y306	P271-F278 HydrophobicContact CB-CB 3.78Å; P271-F278 HydrophobicContact CB-CD1 4.25Å; P271-F278 HydrophobicContact CB-CG 4.34Å; P271-F278 WeakPolarHBondContact O-CB 3.47Å; P271-F278 PolarHBondContact O-N 3.24Å; P271-Y306 HydrophobicContact CB-CD1 3.99Å; P271-Y306 HydrophobicContact CB-CD2 3.89Å; P271-Y306 HydrophobicContact CB-CE1 4.27Å; P271-Y306 HydrophobicContact CB-CE2 4.22Å; P271-Y306 HydrophobicContact CB-CG 3.78Å
272	Y	93.4	Very high	89.9	Confident	62 Å²	62	38.5 Å²	38.5	24%	0.243	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.3	172.2	-77.7	-96.4	0	0	0	111.3	D245 E246 P249 C270 G276 Y306	D245-Y272 HydrophobicContact CB-CE2 4.18Å; E246-Y272 HydrophobicContact CB-CD1 3.71Å; E246-Y272 HydrophobicContact CB-CE1 3.86Å; E246-Y272 HydrophobicContact CB-CG 4.06Å; P249-Y272 WeakPolarHBondContact CG-O 3.5Å; C270-Y272 HydrophobicContact CB-CD2 3.94Å; C270-Y272 HydrophobicContact CB-CE2 3.78Å; C270-Y272 PolarHBondContact O-N 3.06Å; C270-Y272 VanDerWaalsContact O-N 3.07Å; Y272-G276 CarbonylContact C-O 3.59Å; Y272-G276 VanDerWaalsContact CA-O 3.26Å; Y272-G276 WeakPolarHBondContact CA-O 3.33Å; Y272-G276 VanDerWaalsContact CD1-O 3.28Å; Y272-G276 WeakPolarHBondContact CD1-O 3.26Å; Y272-Y306 PolarHBondContact N-OH 3.04Å; Y272-Y306 WeakPolarHBondContact O-CE2 3.46Å; Y272-Y306 PolarHBondContact O-OH 3.14Å
273	S	92.7	Very high	88	Confident	7 Å²	7	42.8 Å²	42.8	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	175	159.8	71.3	0	0	0	0	110.2	F275 G276 I280 Y309 E366	S273-F275 PolarHBondContact O-N 3.43Å; S273-G276 PolarHBondContact N-O 2.92Å; S273-G276 PolarHBondContact O-N 3.42Å; S273-G276 PolarHBondContact OG-O 3.24Å; S273-I280 VanDerWaalsContact CB-CD1 3.5Å; S273-Y309 WeakPolarHBondContact CA-OH 3.47Å; S273-E366 WeakPolarHBondContact CB-OE1 3.41Å
274	L	93.3	Very high	86.1	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-40.1	-177.1	-65.9	178.5	0	0	0	112.2	P249 W250 I253 Y309 Y362 I363 E366 F377	P249-L274 HydrophobicContact CB-CD2 3.83Å; P249-L274 HydrophobicContact CB-CG 4.5Å; P249-L274 HydrophobicContact CG-CD2 4.18Å; W250-L274 HydrophobicContact CD2-CD2 3.56Å; W250-L274 HydrophobicContact CE3-CD2 3.99Å; W250-L274 HydrophobicContact CG-CD2 3.89Å; W250-L274 HydrophobicContact CH2-CB 4.38Å; W250-L274 HydrophobicContact CH2-CD2 4.4Å; W250-L274 HydrophobicContact CZ2-CB 3.68Å; W250-L274 HydrophobicContact CZ2-CD2 4.02Å; W250-L274 HydrophobicContact CZ2-CG 4.32Å; W250-L274 HydrophobicContact CZ3-CD2 4.38Å; W250-L274 PolarHBondContact NE1-O 2.91Å; I253-L274 HydrophobicContact CD1-CD1 3.98Å; I253-L274 HydrophobicContact CD1-CD2 3.58Å; I253-L274 HydrophobicContact CD1-CG 4.47Å; L274-Y309 PolarHBondContact N-OH 3.11Å; L274-Y362 HydrophobicContact CD1-CD1 4.31Å; L274-Y362 HydrophobicContact CD1-CE1 3.92Å; L274-I363 HydrophobicContact CD1-CG1 4.37Å; L274-E366 VanDerWaalsContact CB-OE1 3.24Å; L274-E366 WeakPolarHBondContact CB-OE1 3.21Å; L274-E366 HydrophobicContact CD1-CB 4.09Å; L274-E366 WeakPolarHBondContact CG-OE2 3.34Å; L274-E366 PolarHBondContact N-OE1 3.06Å; L274-F377 WeakPolarHBondContact O-CD2 3.32Å
275	F	92	Very high	84.3	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.009	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	2.5	-174.1	-55.8	-70.4	0	0	0	114.4	W250 S273 I363 E366 R367 T370 K372	W250-F275 HydrophobicContact CH2-CE1 4.29Å; W250-F275 HydrophobicContact CH2-CZ 4.37Å; W250-F275 HydrophobicContact CZ2-CE1 4.09Å; W250-F275 HydrophobicContact CZ2-CZ 4.41Å; S273-F275 PolarHBondContact O-N 3.43Å; F275-I363 WeakPolarHBondContact CE2-O 3.28Å; F275-I363 HydrophobicContact CZ-CG2 3.92Å; F275-E366 HydrophobicContact CD2-CB 4.45Å; F275-E366 HydrophobicContact CD2-CG 4.43Å; F275-E366 HydrophobicContact CE2-CB 4.06Å; F275-R367 HydrophobicContact CD2-CB 4.31Å; F275-R367 HydrophobicContact CE1-CB 4.45Å; F275-R367 HydrophobicContact CE1-CG 4.43Å; F275-R367 HydrophobicContact CE2-CB 3.59Å; F275-R367 HydrophobicContact CE2-CG 4.31Å; F275-R367 HydrophobicContact CZ-CB 3.65Å; F275-R367 HydrophobicContact CZ-CG 4.1Å; F275-T370 HydrophobicContact CB-CG2 4.33Å; F275-K372 VanDerWaalsContact O-CD 3.24Å; F275-K372 WeakPolarHBondContact O-CD 3.05Å; F275-K372 WeakPolarHBondContact O-CE 3.31Å; F275-K372 PolarHBondContact O-NZ 3.07Å
276	G	89.1	Confident	82.8	Confident	9 Å²	9	47.4 Å²	47.4	9%	0.093	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	-154.4	-179.3	0	0	0	0	0	115.8	Y272 S273 F278	Y272-G276 CarbonylContact C-O 3.59Å; Y272-G276 VanDerWaalsContact CA-O 3.26Å; Y272-G276 WeakPolarHBondContact CA-O 3.33Å; Y272-G276 VanDerWaalsContact CD1-O 3.28Å; Y272-G276 WeakPolarHBondContact CD1-O 3.26Å; S273-G276 PolarHBondContact N-O 2.92Å; S273-G276 PolarHBondContact O-N 3.42Å; S273-G276 PolarHBondContact OG-O 3.24Å; G276-F278 PolarHBondContact O-N 2.82Å
277	K	88.9	Confident	81.8	Confident	167 Å²	167	49.9 Å²	49.9	73%	0.726	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.2	176.5	-71	-173.4	178.2	179.2	0	109.3	N279	K277-N279 PolarHBondContact O-N 2.89Å
278	F	89	Confident	80.9	Confident	14 Å²	14	51.4 Å²	51.4	6%	0.061	28%	0.281	C	S	.	.	S	Bend	trans	-61.1	110.2	179.4	-179	-108.9	0	0	0	110.9	P271 G276 I280 R302 T305 Y306 Y309	P271-F278 HydrophobicContact CB-CB 3.78Å; P271-F278 HydrophobicContact CB-CD1 4.25Å; P271-F278 HydrophobicContact CB-CG 4.34Å; P271-F278 WeakPolarHBondContact O-CB 3.47Å; P271-F278 PolarHBondContact O-N 3.24Å; G276-F278 PolarHBondContact O-N 2.82Å; F278-I280 HydrophobicContact CD2-CB 4.48Å; F278-I280 HydrophobicContact CD2-CD1 4.47Å; F278-I280 HydrophobicContact CD2-CG1 4.47Å; F278-I280 HydrophobicContact CE2-CB 4.06Å; F278-I280 HydrophobicContact CE2-CD1 4.43Å; F278-I280 HydrophobicContact CE2-CG1 4.46Å; F278-R302 PolarHBondContact O-NH2 2.7Å; F278-T305 HydrophobicContact CE1-CG2 4.27Å; F278-T305 HydrophobicContact CZ-CG2 4.28Å; F278-Y306 HydrophobicContact CB-CD2 4.16Å; F278-Y306 HydrophobicContact CB-CE2 4.24Å; F278-Y306 AromaticContact CD1-CD2 3.91Å; F278-Y306 HydrophobicContact CD1-CD2 3.91Å; F278-Y306 AromaticContact CD2-CD2 3.78Å; F278-Y306 HydrophobicContact CD2-CD2 3.78Å; F278-Y306 HydrophobicContact CD2-CE2 4.08Å; F278-Y306 HydrophobicContact CE1-CD2 4.22Å; F278-Y306 HydrophobicContact CE2-CD2 4.12Å; F278-Y306 AromaticContact CG-CD2 3.68Å; F278-Y306 HydrophobicContact CG-CD2 3.68Å; F278-Y306 HydrophobicContact CG-CE2 4.13Å; F278-Y306 HydrophobicContact CZ-CD2 4.32Å; F278-Y309 AromaticContact CD2-CD1 3.85Å; F278-Y309 HydrophobicContact CD2-CD1 3.85Å; F278-Y309 HydrophobicContact CD2-CE1 4.07Å; F278-Y309 HydrophobicContact CD2-CG 4.18Å; F278-Y309 AromaticContact CE2-CD1 3.62Å; F278-Y309 HydrophobicContact CE2-CD1 3.62Å; F278-Y309 AromaticContact CE2-CD2 3.98Å; F278-Y309 HydrophobicContact CE2-CD2 3.98Å; F278-Y309 HydrophobicContact CE2-CE1 4.2Å; F278-Y309 AromaticContact CE2-CG 3.48Å; F278-Y309 HydrophobicContact CE2-CG 3.48Å; F278-Y309 VanDerWaalsContact CE2-CG 3.48Å; F278-Y309 HydrophobicContact CZ-CG 4.27Å
279	N	83.5	Confident	80	Confident	131 Å²	131	52.6 Å²	52.6	70%	0.701	29%	0.29	S	S	*	.			trans	-146.5	40.7	174.6	-167	39	0	0	0	110.1	K277	K277-N279 PolarHBondContact O-N 2.89Å
280	I	72.5	Confident	79.3	Confident	27 Å²	27	60 Å²	60	14%	0.138	33%	0.327	C	S	.	.			trans	-84.3	126	179.3	-63.9	175.5	0	0	0	108.1	S273 F278 Y309 E366 I369	S273-I280 VanDerWaalsContact CB-CD1 3.5Å; F278-I280 HydrophobicContact CD2-CB 4.48Å; F278-I280 HydrophobicContact CD2-CD1 4.47Å; F278-I280 HydrophobicContact CD2-CG1 4.47Å; F278-I280 HydrophobicContact CE2-CB 4.06Å; F278-I280 HydrophobicContact CE2-CD1 4.43Å; F278-I280 HydrophobicContact CE2-CG1 4.46Å; I280-Y309 HydrophobicContact CD1-CD2 4.15Å; I280-Y309 HydrophobicContact CD1-CE2 3.44Å; I280-Y309 VanDerWaalsContact CD1-CE2 3.44Å; I280-E366 HydrophobicContact CD1-CG 3.95Å; I280-I369 HydrophobicContact CG2-CD1 4.21Å
281	P	66.5	Low	78.8	Confident	73 Å²	73	62 Å²	62	47%	0.474	34%	0.335	S	S	.	.			trans	-57.2	142.3	173.2	-21.7	32.2	0	0	0	110.9	S283 S284	P281-S283 PolarHBondContact O-N 3.18Å; P281-S283 VanDerWaalsContact O-N 3.08Å; P281-S284 WeakPolarHBondContact O-CB 3.37Å; P281-S284 PolarHBondContact O-N 2.63Å
282	K	66	Low	78.2	Confident	146 Å²	146	60.7 Å²	60.7	64%	0.635	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-55.4	-29.1	175.7	-76.5	-174.9	177.9	-178.4	0	112.9	S284 L285 T305	K282-S284 PolarHBondContact O-N 3.15Å; K282-L285 VanDerWaalsContact O-CB 3.27Å; K282-L285 WeakPolarHBondContact O-CB 3.38Å; K282-L285 WeakPolarHBondContact O-CD1 3.36Å; K282-L285 VanDerWaalsContact O-CG 3.27Å; K282-L285 WeakPolarHBondContact O-CG 3.39Å; K282-L285 PolarHBondContact O-N 2.88Å; K282-T305 HydrophobicContact CG-CG2 4.4Å
283	S	56.7	Low	77.7	Confident	94 Å²	94	65.1 Å²	65.1	66%	0.657	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-66.5	-24.3	176.2	53.5	0	0	0	0	113.5	P281 L285 S286	P281-S283 PolarHBondContact O-N 3.18Å; P281-S283 VanDerWaalsContact O-N 3.08Å; S283-L285 PolarHBondContact O-N 3.31Å; S283-S286 PolarHBondContact O-OG 3.16Å
284	S	58.7	Low	77.3	Confident	19 Å²	19	65.1 Å²	65.1	13%	0.133	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-80.1	4.5	178.4	-56.3	0	0	0	0	113.4	P281 K282 S286 Y365	P281-S284 WeakPolarHBondContact O-CB 3.37Å; P281-S284 PolarHBondContact O-N 2.63Å; K282-S284 PolarHBondContact O-N 3.15Å; S284-S286 PolarHBondContact O-N 3.4Å; S284-Y365 PolarHBondContact O-OH 3.28Å
285	L	61.2	Low	76.8	Confident	41 Å²	41	74.4 Å²	74.4	22%	0.215	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-77.2	9.4	168.1	-62.9	174.9	0	0	0	112.3	K282 S283 F287 Y309 Q312	K282-L285 VanDerWaalsContact O-CB 3.27Å; K282-L285 WeakPolarHBondContact O-CB 3.38Å; K282-L285 WeakPolarHBondContact O-CD1 3.36Å; K282-L285 VanDerWaalsContact O-CG 3.27Å; K282-L285 WeakPolarHBondContact O-CG 3.39Å; K282-L285 PolarHBondContact O-N 2.88Å; S283-L285 PolarHBondContact O-N 3.31Å; L285-F287 VanDerWaalsContact C-N 3.32Å; L285-F287 PolarHBondContact O-N 3Å; L285-Y309 HydrophobicContact CD2-CD2 4.31Å; L285-Q312 PolarHBondContact O-OE1 3.19Å
286	S	66.6	Low	76.4	Confident	87 Å²	87	78 Å²	78	61%	0.608	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-81.7	-1.6	-176.3	66.3	0	0	0	0	114.7	S283 S284 L288	S283-S286 PolarHBondContact O-OG 3.16Å; S284-S286 PolarHBondContact O-N 3.4Å; S286-L288 PolarHBondContact O-N 3.41Å
287	F	77.6	Confident	76.1	Confident	51 Å²	51	78.3 Å²	78.3	22%	0.224	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-74.1	-11.3	178.3	-166.1	-87	0	0	0	112.7	L285 P289 I316 K361 Y362 Y365	L285-F287 VanDerWaalsContact C-N 3.32Å; L285-F287 PolarHBondContact O-N 3Å; F287-P289 WeakPolarHBondContact O-CD 3.27Å; F287-I316 HydrophobicContact CD1-CD1 3.92Å; F287-I316 HydrophobicContact CD1-CG1 4.22Å; F287-I316 HydrophobicContact CD1-CG2 4.44Å; F287-I316 HydrophobicContact CE1-CG2 4.34Å; F287-K361 HydrophobicContact CE2-CB 4.47Å; F287-K361 HydrophobicContact CZ-CB 3.8Å; F287-Y362 HydrophobicContact CB-CD2 4.02Å; F287-Y362 HydrophobicContact CB-CE2 4.27Å; F287-Y362 AromaticContact CD1-CD2 3.45Å; F287-Y362 HydrophobicContact CD1-CD2 3.45Å; F287-Y362 VanDerWaalsContact CD1-CD2 3.45Å; F287-Y362 HydrophobicContact CD1-CE2 4.4Å; F287-Y362 HydrophobicContact CD1-CG 4.01Å; F287-Y362 HydrophobicContact CD2-CD2 4.32Å; F287-Y362 VanDerWaalsContact CE1-CB 3.47Å; F287-Y362 HydrophobicContact CE1-CD2 4.03Å; F287-Y362 HydrophobicContact CE1-CG 4.18Å; F287-Y362 AromaticContact CG-CD2 3.65Å; F287-Y362 HydrophobicContact CG-CD2 3.65Å; F287-Y362 HydrophobicContact CG-CE2 4.39Å; F287-Y365 HydrophobicContact CB-CD1 4.02Å; F287-Y365 HydrophobicContact CB-CE1 4.04Å; F287-Y365 AromaticContact CD2-CD1 3.77Å; F287-Y365 HydrophobicContact CD2-CD1 3.77Å; F287-Y365 AromaticContact CD2-CD2 3.96Å; F287-Y365 HydrophobicContact CD2-CD2 3.96Å; F287-Y365 HydrophobicContact CD2-CE1 4.43Å; F287-Y365 AromaticContact CD2-CG 3.51Å; F287-Y365 HydrophobicContact CD2-CG 3.51Å; F287-Y365 HydrophobicContact CE2-CG 4.08Å; F287-Y365 HydrophobicContact CG-CD1 4.13Å; F287-Y365 HydrophobicContact CG-CG 4.32Å
288	L	79.9	Confident	75.3	Confident	32 Å²	32	76 Å²	76	17%	0.168	41%	0.41	C	S	.	.	S	Bend	trans	-52.5	123.4	176.7	-98.2	155.3	0	0	0	110.5	S286 I292 V294 Q312 A315	S286-L288 PolarHBondContact O-N 3.41Å; L288-I292 HydrophobicContact CD2-CB 4Å; L288-I292 HydrophobicContact CD2-CG2 3.57Å; L288-V294 HydrophobicContact CD2-CG2 3.84Å; L288-Q312 HydrophobicContact CD1-CB 4.34Å; L288-Q312 HydrophobicContact CD1-CG 3.64Å; L288-Q312 HydrophobicContact CG-CG 4.33Å; L288-A315 HydrophobicContact CD2-CB 4.09Å
289	P	76.1	Confident	74.4	Confident	26 Å²	26	78.2 Å²	78.2	17%	0.169	42%	0.42	C	S	.	.			trans	-53.5	140.5	171.5	-26.4	35	0	0	0	111.1	F287 D291 I292	F287-P289 WeakPolarHBondContact O-CD 3.27Å; P289-D291 WeakPolarHBondContact CB-OD1 3.43Å; P289-D291 PolarHBondContact O-N 2.81Å; P289-D291 VanDerWaalsContact O-N 3.1Å; P289-I292 HydrophobicContact CB-CD1 3.94Å; P289-I292 HydrophobicContact CB-CG1 4.05Å; P289-I292 HydrophobicContact CG-CD1 3.75Å; P289-I292 HydrophobicContact CG-CG1 4.39Å; P289-I292 WeakPolarHBondContact O-CB 3.35Å; P289-I292 PolarHBondContact O-N 2.89Å
290	D	78.5	Confident	74	Confident	178 Å²	178	77.7 Å²	77.7	95%	0.952	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.7	-173	-66.4	-35.8	0	0	0	113.4	I292	D290-I292 VanDerWaalsContact C-N 3.29Å
291	D	80.5	Confident	74.5	Confident	93 Å²	93	78.2 Å²	78.2	50%	0.497	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.2	177	59.8	-48.8	0	0	0	113.6	P289 R318	P289-D291 WeakPolarHBondContact CB-OD1 3.43Å; P289-D291 PolarHBondContact O-N 2.81Å; P289-D291 VanDerWaalsContact O-N 3.1Å; D291-R318 IonicContact OD1-NH2 2.72Å; D291-R318 IonicContact OD2-CZ 2.82Å; D291-R318 VanDerWaalsContact OD2-CZ 3.26Å; D291-R318 IonicContact OD2-NH1 3.45Å; D291-R318 PolarHBondContact OD2-NH1 2.8Å; D291-R318 IonicContact OD2-NH2 3.15Å; D291-R318 PolarHBondContact OD2-NH2 3.2Å
292	I	80.8	Confident	75.4	Confident	14 Å²	14	82.8 Å²	82.8	7%	0.072	44%	0.441	C	S	.	.			trans	-106.9	119.1	-172.9	-60.2	-176.3	0	0	0	111.2	L288 P289 D290 V294 A315 I342	L288-I292 HydrophobicContact CD2-CB 4Å; L288-I292 HydrophobicContact CD2-CG2 3.57Å; P289-I292 HydrophobicContact CB-CD1 3.94Å; P289-I292 HydrophobicContact CB-CG1 4.05Å; P289-I292 HydrophobicContact CG-CD1 3.75Å; P289-I292 HydrophobicContact CG-CG1 4.39Å; P289-I292 WeakPolarHBondContact O-CB 3.35Å; P289-I292 PolarHBondContact O-N 2.89Å; D290-I292 VanDerWaalsContact C-N 3.29Å; I292-V294 HydrophobicContact CG2-CG2 4.13Å; I292-A315 WeakPolarHBondContact CD1-O 3.5Å; I292-A315 HydrophobicContact CG2-CB 3.77Å; I292-I342 HydrophobicContact CD1-CD1 4.18Å; I292-I342 HydrophobicContact CG1-CD1 4.37Å; I292-I342 HydrophobicContact CG2-CD1 3.87Å
293	N	81.8	Confident	76.5	Confident	156 Å²	156	77 Å²	77	83%	0.834	42%	0.415	S	S	*	.			trans	-110.3	120.6	171.4	-167.5	-11.6	0	0	0	111.1
294	V	83.8	Confident	78.1	Confident	7 Å²	7	72.5 Å²	72.5	4%	0.042	38%	0.384	C	S	.	.			trans	-103.1	122.9	178.3	-179.9	0	0	0	0	109.8	L288 I292 H296 Q311 A315 P321	L288-V294 HydrophobicContact CD2-CG2 3.84Å; I292-V294 HydrophobicContact CG2-CG2 4.13Å; V294-H296 PolarHBondContact O-CD2 2.85Å; V294-H296 PolarHBondContact O-N 3.23Å; V294-Q311 HydrophobicContact CG1-CB 3.83Å; V294-A315 HydrophobicContact CG2-CB 3.32Å; V294-P321 HydrophobicContact CG1-CG 3.96Å
295	K	84.3	Confident	79.5	Confident	195 Å²	195	72.8 Å²	72.8	85%	0.848	39%	0.385	S	S	*	.			trans	-71.7	90.3	174.3	-171.8	179.3	179.6	178.1	0	110.7	Q311	K295-Q311 PolarHBondContact O-OE1 3.1Å
296	H	82.4	Confident	81	Confident	78 Å²	78	70.9 Å²	70.9	36%	0.361	37%	0.374	S	S	.	.			trans	-63.3	147.6	-179.7	-71.6	-54.2	0	0	0	113.9	V294 N308 Q312	V294-H296 PolarHBondContact O-CD2 2.85Å; V294-H296 PolarHBondContact O-N 3.23Å; H296-N308 WeakPolarHBondContact CA-OD1 3.49Å; H296-N308 PolarHBondContact ND1-OD1 3.43Å; H296-Q312 PolarHBondContact CE1-NE2 3.34Å; H296-Q312 PolarHBondContact NE2-NE2 3.38Å
297	I	82.9	Confident	82.3	Confident	15 Å²	15	66.7 Å²	66.7	8%	0.077	35%	0.345	C	S	.	.			trans	-71.1	129.7	170.8	-59.4	157.8	0	0	0	107.8	I116 E299 L307 N308 Q311 V323	I116-I297 HydrophobicContact CD1-CD1 3.87Å; I116-I297 HydrophobicContact CD1-CG1 4.05Å; I116-I297 HydrophobicContact CD1-CG2 3.89Å; I116-I297 HydrophobicContact CG1-CG1 4.47Å; I116-I297 HydrophobicContact CG1-CG2 4.05Å; I297-E299 HydrophobicContact CG2-CB 3.94Å; I297-E299 PolarHBondContact O-N 3.37Å; I297-L307 HydrophobicContact CD1-CB 3.54Å; I297-L307 HydrophobicContact CD1-CD1 3.82Å; I297-L307 HydrophobicContact CD1-CG 4.32Å; I297-N308 PolarHBondContact N-OD1 2.97Å; I297-N308 PolarHBondContact O-ND2 3.16Å; I297-N308 VanDerWaalsContact O-ND2 3.16Å; I297-Q311 VanDerWaalsContact CD1-NE2 3.3Å; I297-V323 HydrophobicContact CD1-CG1 4.06Å; I297-V323 HydrophobicContact CD1-CG2 4.48Å; I297-V323 HydrophobicContact CG1-CG1 4.39Å
298	T	72.6	Confident	83	Confident	120 Å²	120	65.3 Å²	65.3	74%	0.736	34%	0.34	S	S	*	.			trans	-78.3	41.4	-178.7	50.9	0	0	0	0	113.1
299	E	69.8	Low	83.6	Confident	59 Å²	59	63.9 Å²	63.9	28%	0.276	33%	0.332	S	S	.	.			trans	-114.7	123.6	-179.3	-167.9	176.9	146.3	0	0	111.5	N115 I297 S301	N115-E299 WeakPolarHBondContact ND2-CG 3.49Å; N115-E299 PolarHBondContact ND2-OE2 3.4Å; N115-E299 VanDerWaalsContact ND2-OE2 3.12Å; I297-E299 HydrophobicContact CG2-CB 3.94Å; I297-E299 PolarHBondContact O-N 3.37Å; E299-S301 PolarHBondContact O-N 3.44Å; E299-S301 WeakPolarHBondContact OE1-CB 3.02Å; E299-S301 PolarHBondContact OE1-OG 2.96Å
300	S	74	Confident	84.5	Confident	120 Å²	120	62.6 Å²	62.6	84%	0.839	32%	0.324	S	S	*	.			trans	-79.5	-1.6	-180	56.2	0	0	0	0	114.1
301	S	83.3	Confident	85.2	Confident	39 Å²	39	54.2 Å²	54.2	27%	0.273	28%	0.28	S	S	.	.	S	Bend	trans	-69.9	158.7	-179	85.5	0	0	0	0	111.7	E299 Y303 G304 T305	E299-S301 PolarHBondContact O-N 3.44Å; E299-S301 WeakPolarHBondContact OE1-CB 3.02Å; E299-S301 PolarHBondContact OE1-OG 2.96Å; S301-Y303 PolarHBondContact O-N 3.08Å; S301-Y303 PolarHBondContact OG-N 2.9Å; S301-G304 PolarHBondContact O-N 3.47Å; S301-G304 PolarHBondContact OG-N 3.1Å; S301-T305 PolarHBondContact O-N 2.98Å; S301-T305 PolarHBondContact O-OG1 3.31Å; S301-T305 VanDerWaalsContact O-OG1 3.06Å
302	R	86.2	Confident	85.8	Confident	169 Å²	169	50.1 Å²	50.1	64%	0.638	26%	0.257	S	S	*	.	H	α-helix	trans	-57.1	-34.5	172.2	-175.4	177.3	-178.7	175.8	4.1	111.6	F278 Y306	F278-R302 PolarHBondContact O-NH2 2.7Å; R302-Y306 WeakPolarHBondContact O-CB 3.37Å; R302-Y306 PolarHBondContact O-N 3.45Å
303	Y	89.7	Confident	86.4	Confident	24 Å²	24	49.5 Å²	49.5	9%	0.094	25%	0.254	C	S	.	.	H	α-helix	trans	-73.7	-42	178	-174.5	-124.4	0	0	0	111.8	P268 S301 T305 Y306 L307 K332 I334	P268-Y303 WeakPolarHBondContact O-CE2 3.47Å; P268-Y303 PolarHBondContact O-OH 3.46Å; S301-Y303 PolarHBondContact O-N 3.08Å; S301-Y303 PolarHBondContact OG-N 2.9Å; Y303-T305 VanDerWaalsContact C-N 3.31Å; Y303-T305 PolarHBondContact O-N 3.25Å; Y303-Y306 WeakPolarHBondContact O-CA 3.32Å; Y303-Y306 WeakPolarHBondContact O-CB 3.42Å; Y303-Y306 PolarHBondContact O-N 3.08Å; Y303-Y306 VanDerWaalsContact O-N 3.08Å; Y303-L307 HydrophobicContact CD1-CD1 3.97Å; Y303-L307 HydrophobicContact CD1-CG 4.47Å; Y303-L307 HydrophobicContact CD2-CG 4.48Å; Y303-L307 HydrophobicContact CE1-CD1 3.71Å; Y303-L307 HydrophobicContact CE1-CD2 4.45Å; Y303-L307 HydrophobicContact CE1-CG 4.23Å; Y303-L307 HydrophobicContact CE2-CD2 4.13Å; Y303-L307 HydrophobicContact CE2-CG 4.22Å; Y303-L307 WeakPolarHBondContact O-CG 3.38Å; Y303-L307 PolarHBondContact O-N 3.37Å; Y303-K332 HydrophobicContact CD1-CD 4.15Å; Y303-K332 HydrophobicContact CD2-CD 3.85Å; Y303-K332 VanDerWaalsContact CD2-NZ 3.31Å; Y303-K332 HydrophobicContact CE1-CD 3.84Å; Y303-K332 HydrophobicContact CE2-CD 3.55Å; Y303-K332 HydrophobicContact CG-CD 4.14Å; Y303-I334 HydrophobicContact CE1-CG1 4.24Å
304	G	89.5	Confident	87.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-43.3	172.2	0	0	0	0	0	112.4	S301 Y306 L307 N308	S301-G304 PolarHBondContact O-N 3.47Å; S301-G304 PolarHBondContact OG-N 3.1Å; G304-Y306 VanDerWaalsContact C-N 3.3Å; G304-Y306 PolarHBondContact O-N 3.26Å; G304-L307 PolarHBondContact O-N 3.48Å; G304-N308 PolarHBondContact O-N 2.87Å; G304-N308 PolarHBondContact O-ND2 3.33Å
305	T	89	Confident	87.5	Confident	25 Å²	25	41.7 Å²	41.7	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-41.1	173.6	-56.2	0	0	0	0	111.5	F278 K282 S301 Y303 N308 Y309	F278-T305 HydrophobicContact CE1-CG2 4.27Å; F278-T305 HydrophobicContact CZ-CG2 4.28Å; K282-T305 HydrophobicContact CG-CG2 4.4Å; S301-T305 PolarHBondContact O-N 2.98Å; S301-T305 PolarHBondContact O-OG1 3.31Å; S301-T305 VanDerWaalsContact O-OG1 3.06Å; Y303-T305 VanDerWaalsContact C-N 3.31Å; Y303-T305 PolarHBondContact O-N 3.25Å; T305-N308 PolarHBondContact O-N 3.44Å; T305-Y309 PolarHBondContact O-N 3.17Å
306	Y	92.5	Very high	87.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-42.2	177	-176	-121.8	0	0	0	112.8	T248 P268 C270 P271 Y272 F278 R302 Y303 G304 N308 Y309 I310	T248-Y306 HydrophobicContact CG2-CE1 4.47Å; P268-Y306 HydrophobicContact CB-CD1 4.23Å; P268-Y306 HydrophobicContact CB-CE1 3.8Å; C270-Y306 PolarHBondContact O-OH 3.48Å; P271-Y306 HydrophobicContact CB-CD1 3.99Å; P271-Y306 HydrophobicContact CB-CD2 3.89Å; P271-Y306 HydrophobicContact CB-CE1 4.27Å; P271-Y306 HydrophobicContact CB-CE2 4.22Å; P271-Y306 HydrophobicContact CB-CG 3.78Å; Y272-Y306 PolarHBondContact N-OH 3.04Å; Y272-Y306 WeakPolarHBondContact O-CE2 3.46Å; Y272-Y306 PolarHBondContact O-OH 3.14Å; F278-Y306 HydrophobicContact CB-CD2 4.16Å; F278-Y306 HydrophobicContact CB-CE2 4.24Å; F278-Y306 AromaticContact CD1-CD2 3.91Å; F278-Y306 HydrophobicContact CD1-CD2 3.91Å; F278-Y306 AromaticContact CD2-CD2 3.78Å; F278-Y306 HydrophobicContact CD2-CD2 3.78Å; F278-Y306 HydrophobicContact CD2-CE2 4.08Å; F278-Y306 HydrophobicContact CE1-CD2 4.22Å; F278-Y306 HydrophobicContact CE2-CD2 4.12Å; F278-Y306 AromaticContact CG-CD2 3.68Å; F278-Y306 HydrophobicContact CG-CD2 3.68Å; F278-Y306 HydrophobicContact CG-CE2 4.13Å; F278-Y306 HydrophobicContact CZ-CD2 4.32Å; R302-Y306 WeakPolarHBondContact O-CB 3.37Å; R302-Y306 PolarHBondContact O-N 3.45Å; Y303-Y306 WeakPolarHBondContact O-CA 3.32Å; Y303-Y306 WeakPolarHBondContact O-CB 3.42Å; Y303-Y306 PolarHBondContact O-N 3.08Å; Y303-Y306 VanDerWaalsContact O-N 3.08Å; G304-Y306 VanDerWaalsContact C-N 3.3Å; G304-Y306 PolarHBondContact O-N 3.26Å; Y306-N308 VanDerWaalsContact C-N 3.29Å; Y306-N308 PolarHBondContact O-N 3.49Å; Y306-Y309 AromaticContact CD2-CD1 3.84Å; Y306-Y309 HydrophobicContact CD2-CD1 3.84Å; Y306-Y309 AromaticContact CE2-CD1 3.63Å; Y306-Y309 HydrophobicContact CE2-CD1 3.63Å; Y306-Y309 AromaticContact CE2-CE1 3.98Å; Y306-Y309 HydrophobicContact CE2-CE1 3.98Å; Y306-Y309 WeakPolarHBondContact O-CB 3.22Å; Y306-Y309 PolarHBondContact O-N 2.91Å; Y306-Y309 VanDerWaalsContact O-N 3.16Å; Y306-I310 HydrophobicContact CE1-CD1 4.48Å; Y306-I310 HydrophobicContact CE1-CG1 4.21Å; Y306-I310 HydrophobicContact CE2-CD1 3.99Å; Y306-I310 HydrophobicContact CE2-CG1 4.22Å; Y306-I310 WeakPolarHBondContact O-CG1 3.36Å; Y306-I310 PolarHBondContact O-N 3.37Å
307	L	93.2	Very high	88.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-38	175	-67.3	171.6	0	0	0	111.6	P268 I297 Y303 G304 I310 Q311 I334 I336	P268-L307 HydrophobicContact CB-CD2 4.09Å; P268-L307 HydrophobicContact CG-CD2 3.9Å; I297-L307 HydrophobicContact CD1-CB 3.54Å; I297-L307 HydrophobicContact CD1-CD1 3.82Å; I297-L307 HydrophobicContact CD1-CG 4.32Å; Y303-L307 HydrophobicContact CD1-CD1 3.97Å; Y303-L307 HydrophobicContact CD1-CG 4.47Å; Y303-L307 HydrophobicContact CD2-CG 4.48Å; Y303-L307 HydrophobicContact CE1-CD1 3.71Å; Y303-L307 HydrophobicContact CE1-CD2 4.45Å; Y303-L307 HydrophobicContact CE1-CG 4.23Å; Y303-L307 HydrophobicContact CE2-CD2 4.13Å; Y303-L307 HydrophobicContact CE2-CG 4.22Å; Y303-L307 WeakPolarHBondContact O-CG 3.38Å; Y303-L307 PolarHBondContact O-N 3.37Å; G304-L307 PolarHBondContact O-N 3.48Å; L307-I310 PolarHBondContact O-N 2.82Å; L307-Q311 WeakPolarHBondContact O-CG 3.5Å; L307-Q311 PolarHBondContact O-N 3.05Å; L307-Q311 PolarHBondContact O-NE2 3.23Å; L307-I334 HydrophobicContact CD1-CB 3.84Å; L307-I334 HydrophobicContact CD1-CG1 4.04Å; L307-I334 HydrophobicContact CD1-CG2 3.81Å; L307-I334 HydrophobicContact CD2-CB 4.28Å; L307-I334 HydrophobicContact CD2-CG2 4.24Å; L307-I336 HydrophobicContact CD2-CD1 4.34Å
308	N	91.4	Very high	88.8	Confident	21 Å²	21	30.2 Å²	30.2	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-42.1	173.1	-73.9	-24.7	0	0	0	111.6	H296 I297 G304 T305 Y306 I310 Q311 Q312	H296-N308 WeakPolarHBondContact CA-OD1 3.49Å; H296-N308 PolarHBondContact ND1-OD1 3.43Å; I297-N308 PolarHBondContact N-OD1 2.97Å; I297-N308 PolarHBondContact O-ND2 3.16Å; I297-N308 VanDerWaalsContact O-ND2 3.16Å; G304-N308 PolarHBondContact O-N 2.87Å; G304-N308 PolarHBondContact O-ND2 3.33Å; T305-N308 PolarHBondContact O-N 3.44Å; Y306-N308 VanDerWaalsContact C-N 3.29Å; Y306-N308 PolarHBondContact O-N 3.49Å; N308-I310 PolarHBondContact O-N 3.44Å; N308-Q311 PolarHBondContact O-N 3.31Å; N308-Q311 PolarHBondContact OD1-NE2 2.69Å; N308-Q312 WeakPolarHBondContact O-CG 3.31Å; N308-Q312 PolarHBondContact O-N 3.44Å; N308-Q312 VanDerWaalsContact O-N 3.08Å
309	Y	92.7	Very high	89.9	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-57.6	-47.3	172.6	164	-108	0	0	0	112.1	P249 S273 L274 F278 I280 L285 T305 Y306 Q311 Q312 I313 Y362 E366	P249-Y309 HydrophobicContact CB-CE1 3.95Å; S273-Y309 WeakPolarHBondContact CA-OH 3.47Å; L274-Y309 PolarHBondContact N-OH 3.11Å; F278-Y309 AromaticContact CD2-CD1 3.85Å; F278-Y309 HydrophobicContact CD2-CD1 3.85Å; F278-Y309 HydrophobicContact CD2-CE1 4.07Å; F278-Y309 HydrophobicContact CD2-CG 4.18Å; F278-Y309 AromaticContact CE2-CD1 3.62Å; F278-Y309 HydrophobicContact CE2-CD1 3.62Å; F278-Y309 AromaticContact CE2-CD2 3.98Å; F278-Y309 HydrophobicContact CE2-CD2 3.98Å; F278-Y309 HydrophobicContact CE2-CE1 4.2Å; F278-Y309 AromaticContact CE2-CG 3.48Å; F278-Y309 HydrophobicContact CE2-CG 3.48Å; F278-Y309 VanDerWaalsContact CE2-CG 3.48Å; F278-Y309 HydrophobicContact CZ-CG 4.27Å; I280-Y309 HydrophobicContact CD1-CD2 4.15Å; I280-Y309 HydrophobicContact CD1-CE2 3.44Å; I280-Y309 VanDerWaalsContact CD1-CE2 3.44Å; L285-Y309 HydrophobicContact CD2-CD2 4.31Å; T305-Y309 PolarHBondContact O-N 3.17Å; Y306-Y309 AromaticContact CD2-CD1 3.84Å; Y306-Y309 HydrophobicContact CD2-CD1 3.84Å; Y306-Y309 AromaticContact CE2-CD1 3.63Å; Y306-Y309 HydrophobicContact CE2-CD1 3.63Å; Y306-Y309 AromaticContact CE2-CE1 3.98Å; Y306-Y309 HydrophobicContact CE2-CE1 3.98Å; Y306-Y309 WeakPolarHBondContact O-CB 3.22Å; Y306-Y309 PolarHBondContact O-N 2.91Å; Y306-Y309 VanDerWaalsContact O-N 3.16Å; Y309-Q311 PolarHBondContact O-N 3.02Å; Y309-Q312 WeakPolarHBondContact O-CB 3.42Å; Y309-Q312 PolarHBondContact O-N 3.02Å; Y309-Q312 VanDerWaalsContact O-N 3.15Å; Y309-I313 HydrophobicContact CD1-CD1 4.16Å; Y309-I313 HydrophobicContact CD2-CD1 4.34Å; Y309-I313 HydrophobicContact CE1-CD1 3.57Å; Y309-I313 HydrophobicContact CE2-CD1 3.75Å; Y309-I313 HydrophobicContact CE2-CG1 4.14Å; Y309-I313 PolarHBondContact O-N 2.89Å; Y309-I313 VanDerWaalsContact O-N 3.16Å; Y309-Y362 WeakPolarHBondContact CE2-OH 3.32Å; Y309-E366 VanDerWaalsContact OH-CD 3.26Å; Y309-E366 PolarHBondContact OH-OE1 3.09Å; Y309-E366 PolarHBondContact OH-OE2 3.27Å
310	I	94.8	Very high	91	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-44.1	177.4	-59.9	-57.8	0	0	0	111.5	T248 P249 V266 P268 Y306 L307 N308 Q312 I313 L314 I336	T248-I310 HydrophobicContact CG2-CD1 3.97Å; T248-I310 HydrophobicContact CG2-CG1 4.32Å; P249-I310 HydrophobicContact CB-CD1 3.98Å; V266-I310 HydrophobicContact CG1-CG2 4Å; P268-I310 HydrophobicContact CG-CG1 4.28Å; P268-I310 HydrophobicContact CG-CG2 4.45Å; Y306-I310 HydrophobicContact CE1-CD1 4.48Å; Y306-I310 HydrophobicContact CE1-CG1 4.21Å; Y306-I310 HydrophobicContact CE2-CD1 3.99Å; Y306-I310 HydrophobicContact CE2-CG1 4.22Å; Y306-I310 WeakPolarHBondContact O-CG1 3.36Å; Y306-I310 PolarHBondContact O-N 3.37Å; L307-I310 PolarHBondContact O-N 2.82Å; N308-I310 PolarHBondContact O-N 3.44Å; I310-Q312 PolarHBondContact O-N 2.87Å; I310-I313 HydrophobicContact CD1-CD1 4.23Å; I310-I313 PolarHBondContact O-N 3.29Å; I310-I313 VanDerWaalsContact O-N 3.09Å; I310-L314 HydrophobicContact CG2-CD1 3.63Å; I310-L314 WeakPolarHBondContact O-CD1 3.32Å; I310-L314 PolarHBondContact O-N 2.89Å; I310-I336 HydrophobicContact CB-CD1 3.8Å; I310-I336 HydrophobicContact CG2-CD1 3.59Å
311	Q	94.3	Very high	92	Very high	2 Å²	2	20 Å²	20	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-57.9	-35.6	176.1	-70.6	171.7	84.5	0	0	112.7	V294 K295 I297 L307 N308 Y309 L314 A315 P321 V323 I336	V294-Q311 HydrophobicContact CG1-CB 3.83Å; K295-Q311 PolarHBondContact O-OE1 3.1Å; I297-Q311 VanDerWaalsContact CD1-NE2 3.3Å; L307-Q311 WeakPolarHBondContact O-CG 3.5Å; L307-Q311 PolarHBondContact O-N 3.05Å; L307-Q311 PolarHBondContact O-NE2 3.23Å; N308-Q311 PolarHBondContact O-N 3.31Å; N308-Q311 PolarHBondContact OD1-NE2 2.69Å; Y309-Q311 PolarHBondContact O-N 3.02Å; Q311-L314 WeakPolarHBondContact O-CB 3.35Å; Q311-L314 PolarHBondContact O-N 3.19Å; Q311-A315 WeakPolarHBondContact O-CB 3.42Å; Q311-A315 PolarHBondContact O-N 3.47Å; Q311-P321 HydrophobicContact CB-CB 3.98Å; Q311-P321 HydrophobicContact CB-CG 4.15Å; Q311-P321 HydrophobicContact CG-CB 3.93Å; Q311-P321 HydrophobicContact CG-CG 4.45Å; Q311-V323 HydrophobicContact CG-CG2 4.08Å; Q311-I336 HydrophobicContact CG-CD1 3.77Å; Q311-I336 HydrophobicContact CG-CG1 4.38Å; Q311-I336 HydrophobicContact CG-CG2 4.26Å
312	Q	92.1	Very high	92.6	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.033	9%	0.09	C	C	.	.	H	α-helix	trans	-67.9	-40.1	176.1	-67	-175.7	7.4	0	0	112.2	L285 L288 H296 N308 Y309 I310 L314 A315 I316	L285-Q312 PolarHBondContact O-OE1 3.19Å; L288-Q312 HydrophobicContact CD1-CB 4.34Å; L288-Q312 HydrophobicContact CD1-CG 3.64Å; L288-Q312 HydrophobicContact CG-CG 4.33Å; H296-Q312 PolarHBondContact CE1-NE2 3.34Å; H296-Q312 PolarHBondContact NE2-NE2 3.38Å; N308-Q312 WeakPolarHBondContact O-CG 3.31Å; N308-Q312 PolarHBondContact O-N 3.44Å; N308-Q312 VanDerWaalsContact O-N 3.08Å; Y309-Q312 WeakPolarHBondContact O-CB 3.42Å; Y309-Q312 PolarHBondContact O-N 3.02Å; Y309-Q312 VanDerWaalsContact O-N 3.15Å; I310-Q312 PolarHBondContact O-N 2.87Å; Q312-L314 VanDerWaalsContact C-N 3.3Å; Q312-L314 PolarHBondContact O-N 3.25Å; Q312-A315 PolarHBondContact O-N 3.45Å; Q312-A315 VanDerWaalsContact O-N 3.13Å; Q312-I316 WeakPolarHBondContact O-CB 3.07Å; Q312-I316 WeakPolarHBondContact O-CD1 3.5Å; Q312-I316 VanDerWaalsContact O-CG1 3.25Å; Q312-I316 WeakPolarHBondContact O-CG1 3.34Å; Q312-I316 PolarHBondContact O-N 3.07Å
313	I	94.5	Very high	93.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.9	-42.1	175	-56.6	169.7	0	0	0	110.4	P249 P252 I253 Y309 I310 A315 I316 C317 Y362	P249-I313 HydrophobicContact CB-CD1 3.56Å; P252-I313 HydrophobicContact CB-CG2 4.1Å; P252-I313 HydrophobicContact CG-CB 4.4Å; P252-I313 HydrophobicContact CG-CG2 4.04Å; I253-I313 HydrophobicContact CD1-CG2 4.28Å; I253-I313 HydrophobicContact CG1-CG2 4.04Å; Y309-I313 HydrophobicContact CD1-CD1 4.16Å; Y309-I313 HydrophobicContact CD2-CD1 4.34Å; Y309-I313 HydrophobicContact CE1-CD1 3.57Å; Y309-I313 HydrophobicContact CE2-CD1 3.75Å; Y309-I313 HydrophobicContact CE2-CG1 4.14Å; Y309-I313 PolarHBondContact O-N 2.89Å; Y309-I313 VanDerWaalsContact O-N 3.16Å; I310-I313 HydrophobicContact CD1-CD1 4.23Å; I310-I313 PolarHBondContact O-N 3.29Å; I310-I313 VanDerWaalsContact O-N 3.09Å; I313-A315 VanDerWaalsContact C-N 3.31Å; I313-A315 PolarHBondContact O-N 3.14Å; I313-I316 PolarHBondContact O-N 2.83Å; I313-C317 WeakPolarHBondContact O-CB 3.27Å; I313-C317 PolarHBondContact O-N 2.87Å; I313-C317 PolarHBondContact O-SG 3.08Å; I313-Y362 HydrophobicContact CB-CE1 4.48Å; I313-Y362 HydrophobicContact CG1-CE1 3.84Å; I313-Y362 WeakPolarHBondContact CG1-OH 3.46Å; I313-Y362 HydrophobicContact CG2-CE1 4.14Å
314	L	95.3	Very high	93.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-56.2	-48	172.5	-85.8	86.4	0	0	0	111.2	P252 L264 I310 Q311 Q312 C317 R318 F319 P321 I336	P252-L314 HydrophobicContact CB-CD1 4.16Å; P252-L314 HydrophobicContact CB-CG 4Å; P252-L314 HydrophobicContact CG-CD1 3.43Å; P252-L314 VanDerWaalsContact CG-CD1 3.43Å; P252-L314 HydrophobicContact CG-CG 3.82Å; L264-L314 HydrophobicContact CD1-CD2 4.37Å; L264-L314 HydrophobicContact CD1-CG 4.29Å; I310-L314 HydrophobicContact CG2-CD1 3.63Å; I310-L314 WeakPolarHBondContact O-CD1 3.32Å; I310-L314 PolarHBondContact O-N 2.89Å; Q311-L314 WeakPolarHBondContact O-CB 3.35Å; Q311-L314 PolarHBondContact O-N 3.19Å; Q312-L314 VanDerWaalsContact C-N 3.3Å; Q312-L314 PolarHBondContact O-N 3.25Å; L314-C317 CarbonylContact O-C 3.56Å; L314-C317 WeakPolarHBondContact O-CA 3.43Å; L314-C317 WeakPolarHBondContact O-CB 3.27Å; L314-C317 PolarHBondContact O-N 3.33Å; L314-C317 VanDerWaalsContact O-N 3.12Å; L314-R318 PolarHBondContact O-N 2.68Å; L314-F319 HydrophobicContact CB-CB 4.11Å; L314-F319 HydrophobicContact CD2-CB 4.37Å; L314-F319 HydrophobicContact CG-CB 4.47Å; L314-F319 WeakPolarHBondContact O-CB 3.41Å; L314-F319 PolarHBondContact O-N 2.86Å; L314-P321 HydrophobicContact CB-CB 4.16Å; L314-P321 HydrophobicContact CD2-CB 4.1Å; L314-I336 HydrophobicContact CD1-CG2 4.17Å; L314-I336 HydrophobicContact CD2-CB 4.5Å; L314-I336 HydrophobicContact CD2-CG2 3.52Å; L314-I336 HydrophobicContact CG-CG2 4.48Å
315	A	93	Very high	93.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.2	-38.5	-177.9	0	0	0	0	0	112.8	L288 I292 V294 Q311 Q312 I313 C317 R318 F319 I342	L288-A315 HydrophobicContact CD2-CB 4.09Å; I292-A315 WeakPolarHBondContact CD1-O 3.5Å; I292-A315 HydrophobicContact CG2-CB 3.77Å; V294-A315 HydrophobicContact CG2-CB 3.32Å; Q311-A315 WeakPolarHBondContact O-CB 3.42Å; Q311-A315 PolarHBondContact O-N 3.47Å; Q312-A315 PolarHBondContact O-N 3.45Å; Q312-A315 VanDerWaalsContact O-N 3.13Å; I313-A315 VanDerWaalsContact C-N 3.31Å; I313-A315 PolarHBondContact O-N 3.14Å; A315-C317 VanDerWaalsContact C-N 3.26Å; A315-C317 PolarHBondContact O-N 3.1Å; A315-R318 VanDerWaalsContact O-CA 3.25Å; A315-R318 WeakPolarHBondContact O-CA 3.49Å; A315-R318 PolarHBondContact O-N 3.07Å; A315-F319 WeakPolarHBondContact CA-O 3.32Å; A315-I342 HydrophobicContact CB-CD1 4.37Å
316	I	91.9	Very high	93.9	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-61.1	-37.3	171.5	-70.5	162.7	0	0	0	110.8	F287 Q312 I313 R318 T358 Y362	F287-I316 HydrophobicContact CD1-CD1 3.92Å; F287-I316 HydrophobicContact CD1-CG1 4.22Å; F287-I316 HydrophobicContact CD1-CG2 4.44Å; F287-I316 HydrophobicContact CE1-CG2 4.34Å; Q312-I316 WeakPolarHBondContact O-CB 3.07Å; Q312-I316 WeakPolarHBondContact O-CD1 3.5Å; Q312-I316 VanDerWaalsContact O-CG1 3.25Å; Q312-I316 WeakPolarHBondContact O-CG1 3.34Å; Q312-I316 PolarHBondContact O-N 3.07Å; I313-I316 PolarHBondContact O-N 2.83Å; I316-R318 PolarHBondContact O-N 2.9Å; I316-T358 HydrophobicContact CG2-CG2 4.42Å; I316-Y362 HydrophobicContact CD1-CD1 4.19Å; I316-Y362 HydrophobicContact CD1-CD2 3.6Å; I316-Y362 HydrophobicContact CD1-CE1 4.18Å; I316-Y362 HydrophobicContact CD1-CE2 3.58Å; I316-Y362 HydrophobicContact CD1-CG 3.89Å; I316-Y362 HydrophobicContact CG2-CD1 4.16Å; I316-Y362 HydrophobicContact CG2-CG 3.91Å
317	C	93.4	Very high	94	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	7.6	172	-60.7	0	0	0	0	113.4	P252 C256 I313 L314 A315 F319 R355 V359	P252-C317 VanDerWaalsContact C-SG 3.59Å; P252-C317 HydrophobicContact CB-CB 4.33Å; C256-C317 HydrophobicContact CB-CB 4.2Å; I313-C317 WeakPolarHBondContact O-CB 3.27Å; I313-C317 PolarHBondContact O-N 2.87Å; I313-C317 PolarHBondContact O-SG 3.08Å; L314-C317 CarbonylContact O-C 3.56Å; L314-C317 WeakPolarHBondContact O-CA 3.43Å; L314-C317 WeakPolarHBondContact O-CB 3.27Å; L314-C317 PolarHBondContact O-N 3.33Å; L314-C317 VanDerWaalsContact O-N 3.12Å; A315-C317 VanDerWaalsContact C-N 3.26Å; A315-C317 PolarHBondContact O-N 3.1Å; C317-F319 HydrophobicContact CB-CD2 3.67Å; C317-F319 HydrophobicContact CB-CE2 3.94Å; C317-F319 PolarHBondContact O-N 2.81Å; C317-R355 PolarHBondContact O-NE 3.08Å; C317-V359 HydrophobicContact CB-CG2 4.2Å
318	R	92.7	Very high	94.1	Very high	45 Å²	45	14.6 Å²	14.6	17%	0.17	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	16.2	-175.7	-62.1	-70.9	-174.7	166.8	-10.7	115.5	D291 L314 A315 I316 I341 I342 R355	D291-R318 IonicContact OD1-NH2 2.72Å; D291-R318 IonicContact OD2-CZ 2.82Å; D291-R318 VanDerWaalsContact OD2-CZ 3.26Å; D291-R318 IonicContact OD2-NH1 3.45Å; D291-R318 PolarHBondContact OD2-NH1 2.8Å; D291-R318 IonicContact OD2-NH2 3.15Å; D291-R318 PolarHBondContact OD2-NH2 3.2Å; L314-R318 PolarHBondContact O-N 2.68Å; A315-R318 VanDerWaalsContact O-CA 3.25Å; A315-R318 WeakPolarHBondContact O-CA 3.49Å; A315-R318 PolarHBondContact O-N 3.07Å; I316-R318 PolarHBondContact O-N 2.9Å; R318-I341 HydrophobicContact CB-CG2 4.2Å; R318-I341 CarbonylContact O-C 3.54Å; R318-I341 VanDerWaalsContact O-CA 3.27Å; R318-I341 WeakPolarHBondContact O-CA 3.29Å; R318-I342 PolarHBondContact O-N 2.82Å; R318-R355 HydrophobicContact CB-CG 3.74Å; R318-R355 HydrophobicContact CG-CG 3.4Å; R318-R355 VanDerWaalsContact CG-CG 3.4Å
319	F	94	Very high	94.1	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.009	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-78.2	141	169.1	-67	-74.4	0	0	0	110.8	A255 C262 L264 L314 A315 C317 P321 N340 I341	A255-F319 HydrophobicContact CB-CE2 4.06Å; A255-F319 HydrophobicContact CB-CZ 3.91Å; C262-F319 VanDerWaalsContact O-CE1 3.31Å; C262-F319 WeakPolarHBondContact O-CE1 3.38Å; C262-F319 WeakPolarHBondContact O-CZ 3.44Å; L264-F319 HydrophobicContact CD2-CD1 3.85Å; L264-F319 HydrophobicContact CD2-CD2 3.59Å; L264-F319 HydrophobicContact CD2-CE1 3.79Å; L264-F319 HydrophobicContact CD2-CE2 3.54Å; L264-F319 HydrophobicContact CD2-CG 3.75Å; L264-F319 HydrophobicContact CD2-CZ 3.64Å; L314-F319 HydrophobicContact CB-CB 4.11Å; L314-F319 HydrophobicContact CD2-CB 4.37Å; L314-F319 HydrophobicContact CG-CB 4.47Å; L314-F319 WeakPolarHBondContact O-CB 3.41Å; L314-F319 PolarHBondContact O-N 2.86Å; A315-F319 WeakPolarHBondContact CA-O 3.32Å; C317-F319 HydrophobicContact CB-CD2 3.67Å; C317-F319 HydrophobicContact CB-CE2 3.94Å; C317-F319 PolarHBondContact O-N 2.81Å; F319-P321 WeakPolarHBondContact O-CD 3.02Å; F319-N340 WeakPolarHBondContact CA-O 3.43Å; F319-I341 HydrophobicContact CD1-CD1 3.62Å; F319-I341 HydrophobicContact CE1-CD1 3.69Å; F319-I341 HydrophobicContact CG-CD1 4.34Å; F319-I341 HydrophobicContact CZ-CD1 4.45Å
320	V	93.9	Very high	93.9	Very high	56 Å²	56	17.3 Å²	17.3	34%	0.339	9%	0.092	S	C	.	.			trans	-75.1	113.2	162.8	-178.7	0	0	0	0	107.6	E322 N340 I342	V320-E322 PolarHBondContact O-N 3.43Å; V320-N340 HydrophobicContact CB-CB 4.15Å; V320-N340 HydrophobicContact CG2-CB 4.16Å; V320-N340 PolarHBondContact N-O 3.44Å; V320-I342 HydrophobicContact CG2-CG1 3.74Å
321	P	95.2	Very high	93.6	Very high	25 Å²	25	23 Å²	23	16%	0.162	13%	0.127	C	C	.	.			trans	-75.7	109	-179.2	28.8	-31.3	0	0	0	110.8	V294 Q311 L314 F319 I336	V294-P321 HydrophobicContact CG1-CG 3.96Å; Q311-P321 HydrophobicContact CB-CB 3.98Å; Q311-P321 HydrophobicContact CB-CG 4.15Å; Q311-P321 HydrophobicContact CG-CB 3.93Å; Q311-P321 HydrophobicContact CG-CG 4.45Å; L314-P321 HydrophobicContact CB-CB 4.16Å; L314-P321 HydrophobicContact CD2-CB 4.1Å; F319-P321 WeakPolarHBondContact O-CD 3.02Å; P321-I336 HydrophobicContact CB-CG2 3.89Å
322	E	96	Very high	93.5	Very high	32 Å²	32	25.9 Å²	25.9	15%	0.15	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.3	174.4	-64.5	176.8	-108.3	0	0	109.8	L121 V320 I336 V337 R339 N340	L121-E322 HydrophobicContact CD1-CB 3.69Å; L121-E322 HydrophobicContact CD2-CB 4.12Å; V320-E322 PolarHBondContact O-N 3.43Å; E322-I336 CarbonylContact O-C 3.21Å; E322-I336 WeakPolarHBondContact O-CA 3.34Å; E322-V337 HydrophobicContact CB-CB 4.26Å; E322-V337 PolarHBondContact N-O 3.23Å; E322-V337 PolarHBondContact O-N 3.31Å; E322-R339 WeakPolarHBondContact OE1-CG 3.11Å; E322-R339 IonicContact OE1-CZ 3.14Å; E322-R339 IonicContact OE1-NE 3.15Å; E322-R339 PolarHBondContact OE1-NE 3.36Å; E322-R339 IonicContact OE1-NH2 3.84Å; E322-R339 IonicContact OE2-CZ 3.85Å; E322-R339 IonicContact OE2-NE 2.64Å; E322-R339 PolarHBondContact OE2-NE 2.97Å; E322-R339 IonicContact OE2-NH2 3.37Å; E322-R339 PolarHBondContact OE2-NH2 3.13Å; E322-N340 PolarHBondContact OE1-ND2 3.16Å
323	V	95.5	Very high	93.6	Very high	30 Å²	30	30.7 Å²	30.7	18%	0.182	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.2	-176.8	-175.7	0	0	0	0	110.7	I116 I297 Q311 I334 I336	I116-V323 HydrophobicContact CD1-CG1 3.86Å; I116-V323 HydrophobicContact CG1-CG1 4.44Å; I116-V323 HydrophobicContact CG2-CG1 3.95Å; I297-V323 HydrophobicContact CD1-CG1 4.06Å; I297-V323 HydrophobicContact CD1-CG2 4.48Å; I297-V323 HydrophobicContact CG1-CG1 4.39Å; Q311-V323 HydrophobicContact CG-CG2 4.08Å; V323-I334 HydrophobicContact CG1-CG2 3.56Å; V323-I336 HydrophobicContact CG2-CG1 4.37Å
324	D	95.4	Very high	93.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.9	174.9	-157.8	-9.3	0	0	0	111.6	L119 S120 L121 Y165 I334 C335	L119-D324 WeakPolarHBondContact CA-OD1 3.31Å; L119-D324 WeakPolarHBondContact CA-OD2 3.3Å; L119-D324 PolarHBondContact N-OD1 3.35Å; S120-D324 VanDerWaalsContact N-CG 3.28Å; S120-D324 PolarHBondContact N-OD1 3.1Å; S120-D324 PolarHBondContact N-OD2 3.35Å; S120-D324 PolarHBondContact OG-OD1 2.68Å; L121-D324 HydrophobicContact CD1-CB 3.81Å; L121-D324 HydrophobicContact CG-CB 3.85Å; L121-D324 PolarHBondContact N-OD2 3.32Å; Y165-D324 WeakPolarHBondContact CE2-OD2 3.26Å; Y165-D324 VanDerWaalsContact OH-CB 3.23Å; Y165-D324 WeakPolarHBondContact OH-CB 3.43Å; Y165-D324 VanDerWaalsContact OH-CG 3.32Å; Y165-D324 PolarHBondContact OH-OD2 3.22Å; D324-I334 CarbonylContact O-C 3.56Å; D324-I334 WeakPolarHBondContact O-CA 3.42Å; D324-C335 PolarHBondContact N-O 3.44Å; D324-C335 VanDerWaalsContact N-O 3.07Å; D324-C335 PolarHBondContact O-N 3.48Å
325	A	94.6	Very high	93.8	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.3	173	0	0	0	0	0	111.4	I116 P117 S118 L119 R333 I334	I116-A325 HydrophobicContact CG2-CB 4.26Å; P117-A325 VanDerWaalsContact O-CB 3.29Å; P117-A325 WeakPolarHBondContact O-CB 3.43Å; P117-A325 PolarHBondContact O-N 3.4Å; S118-A325 VanDerWaalsContact CA-O 3.26Å; S118-A325 WeakPolarHBondContact CA-O 3.38Å; S118-A325 WeakPolarHBondContact CB-O 3.35Å; L119-A325 PolarHBondContact N-O 3.41Å; L119-A325 VanDerWaalsContact N-O 3.1Å; A325-R333 CarbonylContact C-O 3.14Å; A325-R333 WeakPolarHBondContact CA-O 3.33Å; A325-I334 HydrophobicContact CB-CD1 3.44Å; A325-I334 VanDerWaalsContact CB-CD1 3.44Å
326	L	96.5	Very high	94	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.162	C	C	.	.			trans	-71.2	156.5	176.1	-66.3	92.8	0	0	0	112.3	I162 Y165 F265 L267 I328 R333 C335	I162-L326 HydrophobicContact CB-CD2 4.46Å; I162-L326 HydrophobicContact CG1-CD2 3.97Å; Y165-L326 HydrophobicContact CD1-CD2 4.36Å; Y165-L326 HydrophobicContact CD2-CD2 4.27Å; Y165-L326 HydrophobicContact CD2-CG 4.04Å; Y165-L326 HydrophobicContact CE2-CG 4.44Å; Y165-L326 HydrophobicContact CG-CD2 3.91Å; Y165-L326 HydrophobicContact CG-CG 4.16Å; F265-L326 HydrophobicContact CZ-CD1 4.32Å; F265-L326 HydrophobicContact CZ-CD2 4.21Å; L267-L326 HydrophobicContact CD1-CD1 3.73Å; L326-I328 HydrophobicContact CB-CD1 4.27Å; L326-I328 HydrophobicContact CB-CG1 4.03Å; L326-I328 HydrophobicContact CB-CG2 4.24Å; L326-I328 HydrophobicContact CD2-CG2 4.48Å; L326-I328 PolarHBondContact O-N 3.44Å; L326-R333 VanDerWaalsContact CD1-O 3.26Å; L326-R333 WeakPolarHBondContact CD1-O 3.4Å; L326-R333 PolarHBondContact N-O 2.98Å; L326-R333 WeakPolarHBondContact O-CD 3.47Å; L326-C335 HydrophobicContact CD1-CB 3.53Å; L326-C335 WeakPolarHBondContact CD1-SG 3.36Å
327	R	93.6	Very high	94.3	Very high	66 Å²	66	31.5 Å²	31.5	25%	0.249	16%	0.161	C	C	.	.			trans	-97.8	68.7	170.7	-64.8	-164.5	84.6	-162.1	12.9	111.9	F24 L119 Y127	F24-R327 PolarHBondContact O-NH1 3.36Å; F24-R327 PolarHBondContact O-NH2 3.47Å; L119-R327 HydrophobicContact CD1-CG 3.88Å; L119-R327 HydrophobicContact CD2-CG 4.12Å; L119-R327 HydrophobicContact CG-CG 3.97Å; Y127-R327 HydrophobicContact CE1-CB 4.34Å
328	I	94.5	Very high	94.5	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.067	16%	0.161	C	C	.	.	S	Bend	trans	-118.9	157.4	178.7	57.3	174.4	0	0	0	111.3	E158 I162 L267 L326 S330 R333	E158-I328 HydrophobicContact CG-CB 4.22Å; E158-I328 HydrophobicContact CG-CD1 4.07Å; I162-I328 HydrophobicContact CD1-CD1 4.36Å; I162-I328 HydrophobicContact CG1-CD1 4.24Å; I162-I328 HydrophobicContact CG1-CG2 4.19Å; L267-I328 HydrophobicContact CD2-CD1 3.93Å; L326-I328 HydrophobicContact CB-CD1 4.27Å; L326-I328 HydrophobicContact CB-CG1 4.03Å; L326-I328 HydrophobicContact CB-CG2 4.24Å; L326-I328 HydrophobicContact CD2-CG2 4.48Å; L326-I328 PolarHBondContact O-N 3.44Å; I328-S330 PolarHBondContact O-N 2.9Å; I328-R333 HydrophobicContact CD1-CB 4.11Å; I328-R333 HydrophobicContact CG1-CB 3.72Å
329	P	91.4	Very high	94.6	Very high	67 Å²	67	32.8 Å²	32.8	44%	0.435	17%	0.166	S	C	.	.	S	Bend	trans	-74.6	45.6	177.8	33.8	-37.6	0	0	0	113.3	K154 E158	K154-P329 WeakPolarHBondContact CE-O 3.09Å; K154-P329 HydrophobicContact CG-CG 4.44Å; E158-P329 HydrophobicContact CB-CG 4.08Å
330	S	89.9	Confident	94.6	Very high	13 Å²	13	36.6 Å²	36.6	9%	0.091	19%	0.187	C	C	.	.			trans	-124.8	145.8	179.4	-174.9	0	0	0	0	111.9	I328 K332 R333	I328-S330 PolarHBondContact O-N 2.9Å; S330-K332 PolarHBondContact OG-N 2.95Å; S330-K332 VanDerWaalsContact OG-N 3.08Å; S330-R333 PolarHBondContact O-NH1 3Å
331	T	87.4	Confident	94.4	Very high	121 Å²	121	35.6 Å²	35.6	74%	0.742	18%	0.179	S	C	*	.	S	Bend	trans	-78.8	-13.2	168.8	57.5	0	0	0	0	111.9
332	K	91.8	Very high	94	Very high	61 Å²	61	35.8 Å²	35.8	27%	0.265	18%	0.178	S	C	.	.			trans	-111.1	61.5	179.8	-59	-58.4	-176.2	-173.1	0	110.1	H243 C269 Y303 S330	H243-K332 PolarHBondContact CE1-O 3.36Å; C269-K332 HydrophobicContact CB-CB 4.11Å; C269-K332 HydrophobicContact CB-CG 4.2Å; Y303-K332 HydrophobicContact CD1-CD 4.15Å; Y303-K332 HydrophobicContact CD2-CD 3.85Å; Y303-K332 VanDerWaalsContact CD2-NZ 3.31Å; Y303-K332 HydrophobicContact CE1-CD 3.84Å; Y303-K332 HydrophobicContact CE2-CD 3.55Å; Y303-K332 HydrophobicContact CG-CD 4.14Å; S330-K332 PolarHBondContact OG-N 2.95Å; S330-K332 VanDerWaalsContact OG-N 3.08Å
333	R	94.7	Very high	92.9	Very high	108 Å²	108	39.5 Å²	39.5	41%	0.408	20%	0.199	S	C	.	.			trans	-104.1	12.6	-169.5	65	-179.2	175.7	-99.3	-0.5	114.6	A325 L326 I328 S330	A325-R333 CarbonylContact C-O 3.14Å; A325-R333 WeakPolarHBondContact CA-O 3.33Å; L326-R333 VanDerWaalsContact CD1-O 3.26Å; L326-R333 WeakPolarHBondContact CD1-O 3.4Å; L326-R333 PolarHBondContact N-O 2.98Å; L326-R333 WeakPolarHBondContact O-CD 3.47Å; I328-R333 HydrophobicContact CD1-CB 4.11Å; I328-R333 HydrophobicContact CG1-CB 3.72Å; S330-R333 PolarHBondContact O-NH1 3Å
334	I	95.7	Very high	91.3	Very high	19 Å²	19	42.3 Å²	42.3	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.7	179.8	-54.3	-54.2	0	0	0	108.2	I116 L267 P268 Y303 L307 V323 D324 A325	I116-I334 HydrophobicContact CB-CD1 4.32Å; I116-I334 HydrophobicContact CD1-CB 4.4Å; I116-I334 HydrophobicContact CD1-CD1 3.7Å; I116-I334 HydrophobicContact CD1-CG1 3.87Å; I116-I334 HydrophobicContact CD1-CG2 3.64Å; I116-I334 HydrophobicContact CG2-CD1 4.4Å; L267-I334 WeakPolarHBondContact CD1-O 3.46Å; P268-I334 WeakPolarHBondContact CD-O 3.26Å; Y303-I334 HydrophobicContact CE1-CG1 4.24Å; L307-I334 HydrophobicContact CD1-CB 3.84Å; L307-I334 HydrophobicContact CD1-CG1 4.04Å; L307-I334 HydrophobicContact CD1-CG2 3.81Å; L307-I334 HydrophobicContact CD2-CB 4.28Å; L307-I334 HydrophobicContact CD2-CG2 4.24Å; V323-I334 HydrophobicContact CG1-CG2 3.56Å; D324-I334 CarbonylContact O-C 3.56Å; D324-I334 WeakPolarHBondContact O-CA 3.42Å; A325-I334 HydrophobicContact CB-CD1 3.44Å; A325-I334 VanDerWaalsContact CB-CD1 3.44Å
335	C	97.8	Very high	89.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	160.2	170.9	60.5	0	0	0	0	111.6	F265 V266 L267 D324 L326	F265-C335 HydrophobicContact CD2-CB 4.12Å; F265-C335 HydrophobicContact CE1-CB 4.47Å; F265-C335 HydrophobicContact CE2-CB 3.35Å; F265-C335 HydrophobicContact CZ-CB 3.57Å; V266-C335 CarbonylContact O-C 3.57Å; V266-C335 WeakPolarHBondContact O-CA 3.07Å; V266-C335 WeakPolarHBondContact O-CB 3.29Å; L267-C335 HydrophobicContact CD1-CB 4.14Å; D324-C335 PolarHBondContact N-O 3.44Å; D324-C335 VanDerWaalsContact N-O 3.07Å; D324-C335 PolarHBondContact O-N 3.48Å; L326-C335 HydrophobicContact CD1-CB 3.53Å; L326-C335 WeakPolarHBondContact CD1-SG 3.36Å
336	I	98.1	Very high	86.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127	170.3	-49.4	166	0	0	0	107	V266 L307 I310 Q311 L314 P321 E322 V323	V266-I336 HydrophobicContact CG1-CB 3.85Å; V266-I336 WeakPolarHBondContact CG1-O 3.14Å; V266-I336 PolarHBondContact N-O 2.98Å; V266-I336 PolarHBondContact O-N 3.04Å; L307-I336 HydrophobicContact CD2-CD1 4.34Å; I310-I336 HydrophobicContact CB-CD1 3.8Å; I310-I336 HydrophobicContact CG2-CD1 3.59Å; Q311-I336 HydrophobicContact CG-CD1 3.77Å; Q311-I336 HydrophobicContact CG-CG1 4.38Å; Q311-I336 HydrophobicContact CG-CG2 4.26Å; L314-I336 HydrophobicContact CD1-CG2 4.17Å; L314-I336 HydrophobicContact CD2-CB 4.5Å; L314-I336 HydrophobicContact CD2-CG2 3.52Å; L314-I336 HydrophobicContact CG-CG2 4.48Å; P321-I336 HydrophobicContact CB-CG2 3.89Å; E322-I336 CarbonylContact O-C 3.21Å; E322-I336 WeakPolarHBondContact O-CA 3.34Å; V323-I336 HydrophobicContact CG2-CG1 4.37Å
337	V	98.4	Very high	84.9	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.8	179	-179	0	0	0	0	108.3	L121 L169 W238 L264 F265 E322 R339	L121-V337 HydrophobicContact CD1-CB 4.28Å; L121-V337 HydrophobicContact CD1-CG2 4.02Å; L169-V337 HydrophobicContact CD2-CG1 4.08Å; L169-V337 HydrophobicContact CD2-CG2 4Å; W238-V337 HydrophobicContact CH2-CG1 4.03Å; W238-V337 HydrophobicContact CZ3-CG1 4.19Å; L264-V337 WeakPolarHBondContact O-CA 3.41Å; F265-V337 HydrophobicContact CD2-CG2 3.98Å; E322-V337 HydrophobicContact CB-CB 4.26Å; E322-V337 PolarHBondContact N-O 3.23Å; E322-V337 PolarHBondContact O-N 3.31Å; V337-R339 HydrophobicContact CG1-CB 4.14Å; V337-R339 HydrophobicContact CG1-CG 3.92Å
338	G	97.3	Very high	83.3	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	93.1	169.6	0	0	0	0	0	109.2	K263 L264	K263-G338 CarbonylContact C-O 3.46Å; K263-G338 VanDerWaalsContact CA-O 3.29Å; K263-G338 WeakPolarHBondContact CA-O 3.23Å; L264-G338 PolarHBondContact N-O 3.46Å; L264-G338 PolarHBondContact O-N 3.39Å
339	R	95.6	Very high	81.8	Confident	72 Å²	72	72.6 Å²	72.6	27%	0.272	38%	0.376	S	S	.	.			trans	-121.5	-10.5	179	61.4	177.1	174.5	-175.6	-2.5	114.2	L169 W238 K263 E322 V337	L169-R339 VanDerWaalsContact CD1-NH1 3.31Å; W238-R339 HydrophobicContact CH2-CB 4.16Å; W238-R339 HydrophobicContact CZ2-CB 4.43Å; K263-R339 HydrophobicContact CB-CB 4.29Å; K263-R339 HydrophobicContact CD-CB 3.89Å; K263-R339 HydrophobicContact CG-CB 4.07Å; E322-R339 WeakPolarHBondContact OE1-CG 3.11Å; E322-R339 IonicContact OE1-CZ 3.14Å; E322-R339 IonicContact OE1-NE 3.15Å; E322-R339 PolarHBondContact OE1-NE 3.36Å; E322-R339 IonicContact OE1-NH2 3.84Å; E322-R339 IonicContact OE2-CZ 3.85Å; E322-R339 IonicContact OE2-NE 2.64Å; E322-R339 PolarHBondContact OE2-NE 2.97Å; E322-R339 IonicContact OE2-NH2 3.37Å; E322-R339 PolarHBondContact OE2-NH2 3.13Å; V337-R339 HydrophobicContact CG1-CB 4.14Å; V337-R339 HydrophobicContact CG1-CG 3.92Å
340	N	93.2	Very high	80.7	Confident	83 Å²	83	75.3 Å²	75.3	44%	0.444	39%	0.386	S	S	.	.	S	Bend	trans	-118.3	146.2	177.7	-65.2	-57.1	0	0	0	109.1	F319 V320 E322	F319-N340 WeakPolarHBondContact CA-O 3.43Å; V320-N340 HydrophobicContact CB-CB 4.15Å; V320-N340 HydrophobicContact CG2-CB 4.16Å; V320-N340 PolarHBondContact N-O 3.44Å; E322-N340 PolarHBondContact OE1-ND2 3.16Å
341	I	90.6	Very high	80.1	Confident	35 Å²	35	77.5 Å²	77.5	18%	0.179	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-102.3	136.9	177.5	-60	-60.4	0	0	0	109.4	R318 F319 D343 S344	R318-I341 HydrophobicContact CB-CG2 4.2Å; R318-I341 CarbonylContact O-C 3.54Å; R318-I341 VanDerWaalsContact O-CA 3.27Å; R318-I341 WeakPolarHBondContact O-CA 3.29Å; F319-I341 HydrophobicContact CD1-CD1 3.62Å; F319-I341 HydrophobicContact CE1-CD1 3.69Å; F319-I341 HydrophobicContact CG-CD1 4.34Å; F319-I341 HydrophobicContact CZ-CD1 4.45Å; I341-D343 PolarHBondContact O-N 2.66Å; I341-S344 PolarHBondContact O-N 3.47Å
342	I	85.7	Confident	80.1	Confident	28 Å²	28	73.1 Å²	73.1	14%	0.144	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	127.7	173.5	-62.4	169.5	0	0	0	107.7	I292 A315 R318 V320	I292-I342 HydrophobicContact CD1-CD1 4.18Å; I292-I342 HydrophobicContact CG1-CD1 4.37Å; I292-I342 HydrophobicContact CG2-CD1 3.87Å; A315-I342 HydrophobicContact CB-CD1 4.37Å; R318-I342 PolarHBondContact O-N 2.82Å; V320-I342 HydrophobicContact CG2-CG1 3.74Å
343	D	73.1	Confident	80	Confident	110 Å²	110	73.6 Å²	73.6	59%	0.588	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	45	-178.8	-59.6	-41	0	0	0	114.8	I341 K345	I341-D343 PolarHBondContact O-N 2.66Å; D343-K345 PolarHBondContact O-N 2.77Å
344	S	61.3	Low	79.6	Confident	89 Å²	89	73.4 Å²	73.4	62%	0.622	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	15.2	178.3	70	0	0	0	0	117.7	I341 Y346	I341-S344 PolarHBondContact O-N 3.47Å; S344-Y346 PolarHBondContact O-N 2.89Å; S344-Y346 VanDerWaalsContact O-N 3.14Å
345	K	51.6	Low	79.3	Confident	178 Å²	178	73 Å²	73	77%	0.774	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.7	-171.2	-81.6	-173.9	176.5	176	0	113.6	D343	D343-K345 PolarHBondContact O-N 2.77Å
346	Y	45.7	Very low	79.1	Confident	187 Å²	187	75.1 Å²	75.1	73%	0.733	39%	0.393	S	S	*	.			trans	-153.2	99.3	175	-68.1	-78.7	0	0	0	112	S344 D348	S344-Y346 PolarHBondContact O-N 2.89Å; S344-Y346 VanDerWaalsContact O-N 3.14Å; Y346-D348 PolarHBondContact O-N 3.06Å
347	S	55.1	Low	78.9	Confident	121 Å²	121	77.7 Å²	77.7	85%	0.846	41%	0.41	S	S	*	.			trans	-65.5	68.1	173.4	54.6	0	0	0	0	112.9
348	D	60	Low	78.6	Confident	104 Å²	104	79.2 Å²	79.2	56%	0.556	42%	0.42	S	S	*	.			trans	-104.5	149.6	-177.6	-145.9	5.2	0	0	0	110.6	Y346 N350 E351	Y346-D348 PolarHBondContact O-N 3.06Å; D348-N350 PolarHBondContact O-N 3.4Å; D348-N350 VanDerWaalsContact O-N 3.17Å; D348-E351 WeakPolarHBondContact O-CB 3.42Å; D348-E351 PolarHBondContact O-N 3.04Å
349	D	63.9	Low	78.4	Confident	129 Å²	129	79.2 Å²	79.2	69%	0.69	42%	0.42	S	S	*	.	H	α-helix	trans	-60	-30.9	-174.1	-78.9	-28.9	0	0	0	112.9	E351 H352 S353	D349-E351 VanDerWaalsContact C-N 3.32Å; D349-E351 PolarHBondContact O-N 2.85Å; D349-H352 PolarHBondContact O-N 3.29Å; D349-S353 PolarHBondContact O-N 3.42Å
350	N	68.5	Low	78.3	Confident	124 Å²	124	79.8 Å²	79.8	66%	0.663	43%	0.428	S	S	*	.	H	α-helix	trans	-60.9	-40.4	175.8	-74.3	-33.8	0	0	0	111.9	D348 H352 S353 D354	D348-N350 PolarHBondContact O-N 3.4Å; D348-N350 VanDerWaalsContact O-N 3.17Å; N350-H352 VanDerWaalsContact C-N 3.29Å; N350-H352 PolarHBondContact O-N 3.08Å; N350-S353 PolarHBondContact O-N 3.48Å; N350-D354 PolarHBondContact O-N 2.99Å; N350-D354 VanDerWaalsContact O-N 3.12Å
351	E	77.4	Confident	78.4	Confident	58 Å²	58	81.9 Å²	81.9	27%	0.271	43%	0.433	S	S	.	.	H	α-helix	trans	-68.1	-32.7	-179.8	-161	-167.9	142.2	0	0	111.4	D348 D349 D354 R355	D348-E351 WeakPolarHBondContact O-CB 3.42Å; D348-E351 PolarHBondContact O-N 3.04Å; D349-E351 VanDerWaalsContact C-N 3.32Å; D349-E351 PolarHBondContact O-N 2.85Å; E351-D354 PolarHBondContact O-N 3.16Å; E351-R355 WeakPolarHBondContact O-CB 3.45Å; E351-R355 PolarHBondContact O-N 3.42Å
352	H	86.8	Confident	78.5	Confident	29 Å²	29	80.8 Å²	80.8	13%	0.134	43%	0.427	C	S	.	.	H	α-helix	trans	-66.1	-42.7	176.1	-169.6	59.3	0	0	0	112.2	C256 P260 D349 N350 D354 R355 L356	C256-H352 PolarHBondContact O-CE1 3.44Å; P260-H352 HydrophobicContact CB-CB 4.36Å; D349-H352 PolarHBondContact O-N 3.29Å; N350-H352 VanDerWaalsContact C-N 3.29Å; N350-H352 PolarHBondContact O-N 3.08Å; H352-D354 VanDerWaalsContact C-N 3.33Å; H352-D354 PolarHBondContact O-N 3.4Å; H352-R355 WeakPolarHBondContact O-CB 3.47Å; H352-R355 PolarHBondContact O-N 3.04Å; H352-L356 WeakPolarHBondContact O-CG 3.49Å; H352-L356 PolarHBondContact O-N 3.4Å
353	S	88.7	Confident	78.9	Confident	71 Å²	71	79.8 Å²	79.8	50%	0.497	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-42.5	174.9	-179.1	0	0	0	0	111.6	D349 N350 L356 S357	D349-S353 PolarHBondContact O-N 3.42Å; N350-S353 PolarHBondContact O-N 3.48Å; S353-L356 PolarHBondContact O-N 3.15Å; S353-S357 WeakPolarHBondContact O-CB 3.17Å; S353-S357 PolarHBondContact O-N 3.05Å
354	D	87.7	Confident	79.8	Confident	104 Å²	104	78.5 Å²	78.5	56%	0.556	41%	0.413	S	S	*	.	H	α-helix	trans	-66.3	-38.6	177.4	-72.5	-19.7	0	0	0	112.7	N350 E351 H352 S357 T358	N350-D354 PolarHBondContact O-N 2.99Å; N350-D354 VanDerWaalsContact O-N 3.12Å; E351-D354 PolarHBondContact O-N 3.16Å; H352-D354 VanDerWaalsContact C-N 3.33Å; H352-D354 PolarHBondContact O-N 3.4Å; D354-S357 PolarHBondContact O-N 3.32Å; D354-T358 PolarHBondContact O-N 3.44Å; D354-T358 PolarHBondContact O-OG1 3.43Å
355	R	89.9	Confident	81.3	Confident	12 Å²	12	77.2 Å²	77.2	5%	0.045	39%	0.394	C	S	.	.	H	α-helix	trans	-55.8	-51.2	168.9	-98.9	168.4	64.1	-169.1	-6.2	111.4	P260 C317 R318 E351 H352 S357 T358 V359	P260-R355 PolarHBondContact O-NH1 2.96Å; C317-R355 PolarHBondContact O-NE 3.08Å; R318-R355 HydrophobicContact CB-CG 3.74Å; R318-R355 HydrophobicContact CG-CG 3.4Å; R318-R355 VanDerWaalsContact CG-CG 3.4Å; E351-R355 WeakPolarHBondContact O-CB 3.45Å; E351-R355 PolarHBondContact O-N 3.42Å; H352-R355 WeakPolarHBondContact O-CB 3.47Å; H352-R355 PolarHBondContact O-N 3.04Å; R355-S357 VanDerWaalsContact C-N 3.33Å; R355-S357 PolarHBondContact O-N 3.48Å; R355-T358 PolarHBondContact O-N 3.31Å; R355-V359 WeakPolarHBondContact O-CG2 3.25Å; R355-V359 PolarHBondContact O-N 3.48Å
356	L	93	Very high	83.2	Confident	44 Å²	44	68.9 Å²	68.9	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-40.3	180	-70.3	173.1	0	0	0	112	K257 H352 S353 T358 V359 N360	K257-L356 HydrophobicContact CG-CD2 4.11Å; H352-L356 WeakPolarHBondContact O-CG 3.49Å; H352-L356 PolarHBondContact O-N 3.4Å; S353-L356 PolarHBondContact O-N 3.15Å; L356-T358 PolarHBondContact O-N 2.89Å; L356-V359 PolarHBondContact O-N 2.69Å; L356-N360 WeakPolarHBondContact O-CB 3.45Å; L356-N360 VanDerWaalsContact O-CG 3.26Å; L356-N360 PolarHBondContact O-N 3.05Å; L356-N360 PolarHBondContact O-ND2 3.44Å
357	S	93.2	Very high	85.3	Confident	53 Å²	53	62.9 Å²	62.9	37%	0.371	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-46	174.4	-178	0	0	0	0	111.8	S353 D354 R355 N360 K361	S353-S357 WeakPolarHBondContact O-CB 3.17Å; S353-S357 PolarHBondContact O-N 3.05Å; D354-S357 PolarHBondContact O-N 3.32Å; R355-S357 VanDerWaalsContact C-N 3.33Å; R355-S357 PolarHBondContact O-N 3.48Å; S357-N360 PolarHBondContact O-N 3.1Å; S357-K361 WeakPolarHBondContact O-CG 3.34Å; S357-K361 PolarHBondContact O-N 3.24Å
358	T	91.6	Very high	86.9	Confident	32 Å²	32	62.3 Å²	62.3	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-44.2	176.8	-58.1	0	0	0	0	111.9	I316 D354 R355 L356 N360 K361 Y362	I316-T358 HydrophobicContact CG2-CG2 4.42Å; D354-T358 PolarHBondContact O-N 3.44Å; D354-T358 PolarHBondContact O-OG1 3.43Å; R355-T358 PolarHBondContact O-N 3.31Å; L356-T358 PolarHBondContact O-N 2.89Å; T358-N360 PolarHBondContact O-N 3.14Å; T358-K361 PolarHBondContact O-N 3.46Å; T358-Y362 PolarHBondContact O-N 2.94Å
359	V	93.5	Very high	88.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-43.1	176.6	168.7	0	0	0	0	111.6	I253 C256 C317 R355 L356 Y362 I363	I253-V359 HydrophobicContact CB-CG1 4.24Å; I253-V359 HydrophobicContact CG1-CG1 3.99Å; I253-V359 HydrophobicContact CG2-CG1 3.74Å; C256-V359 HydrophobicContact CB-CG2 4.49Å; C317-V359 HydrophobicContact CB-CG2 4.2Å; R355-V359 WeakPolarHBondContact O-CG2 3.25Å; R355-V359 PolarHBondContact O-N 3.48Å; L356-V359 PolarHBondContact O-N 2.69Å; V359-Y362 WeakPolarHBondContact O-CB 3.36Å; V359-Y362 PolarHBondContact O-N 3.47Å; V359-I363 HydrophobicContact CG1-CD1 4.08Å; V359-I363 WeakPolarHBondContact O-CG1 3.46Å; V359-I363 PolarHBondContact O-N 3.39Å
360	N	94.9	Very high	89.1	Confident	84 Å²	84	55.5 Å²	55.5	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-64	-42.3	177.6	-72.2	-26.2	0	0	0	111.9	L356 S357 T358 Y362 I363 E364	L356-N360 WeakPolarHBondContact O-CB 3.45Å; L356-N360 VanDerWaalsContact O-CG 3.26Å; L356-N360 PolarHBondContact O-N 3.05Å; L356-N360 PolarHBondContact O-ND2 3.44Å; S357-N360 PolarHBondContact O-N 3.1Å; T358-N360 PolarHBondContact O-N 3.14Å; N360-Y362 VanDerWaalsContact C-N 3.25Å; N360-Y362 PolarHBondContact O-N 3.26Å; N360-I363 PolarHBondContact O-N 3.49Å; N360-E364 PolarHBondContact O-N 2.9Å; N360-E364 VanDerWaalsContact O-N 3.12Å
361	K	94	Very high	89.6	Confident	128 Å²	128	54.9 Å²	54.9	56%	0.557	29%	0.291	S	S	*	.	H	α-helix	trans	-58.9	-38.4	173.5	-69.8	171.1	-174.3	173.7	0	111.9	F287 S357 T358 Y365	F287-K361 HydrophobicContact CE2-CB 4.47Å; F287-K361 HydrophobicContact CZ-CB 3.8Å; S357-K361 WeakPolarHBondContact O-CG 3.34Å; S357-K361 PolarHBondContact O-N 3.24Å; T358-K361 PolarHBondContact O-N 3.46Å; K361-Y365 WeakPolarHBondContact O-CB 3.46Å; K361-Y365 PolarHBondContact O-N 3.35Å
362	Y	92.9	Very high	89.5	Confident	11 Å²	11	55.7 Å²	55.7	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-42.6	176.7	176.7	-117.7	0	0	0	113	L274 F287 Y309 I313 I316 T358 V359 N360 E364 Y365 E366	L274-Y362 HydrophobicContact CD1-CD1 4.31Å; L274-Y362 HydrophobicContact CD1-CE1 3.92Å; F287-Y362 HydrophobicContact CB-CD2 4.02Å; F287-Y362 HydrophobicContact CB-CE2 4.27Å; F287-Y362 AromaticContact CD1-CD2 3.45Å; F287-Y362 HydrophobicContact CD1-CD2 3.45Å; F287-Y362 VanDerWaalsContact CD1-CD2 3.45Å; F287-Y362 HydrophobicContact CD1-CE2 4.4Å; F287-Y362 HydrophobicContact CD1-CG 4.01Å; F287-Y362 HydrophobicContact CD2-CD2 4.32Å; F287-Y362 VanDerWaalsContact CE1-CB 3.47Å; F287-Y362 HydrophobicContact CE1-CD2 4.03Å; F287-Y362 HydrophobicContact CE1-CG 4.18Å; F287-Y362 AromaticContact CG-CD2 3.65Å; F287-Y362 HydrophobicContact CG-CD2 3.65Å; F287-Y362 HydrophobicContact CG-CE2 4.39Å; Y309-Y362 WeakPolarHBondContact CE2-OH 3.32Å; I313-Y362 HydrophobicContact CB-CE1 4.48Å; I313-Y362 HydrophobicContact CG1-CE1 3.84Å; I313-Y362 WeakPolarHBondContact CG1-OH 3.46Å; I313-Y362 HydrophobicContact CG2-CE1 4.14Å; I316-Y362 HydrophobicContact CD1-CD1 4.19Å; I316-Y362 HydrophobicContact CD1-CD2 3.6Å; I316-Y362 HydrophobicContact CD1-CE1 4.18Å; I316-Y362 HydrophobicContact CD1-CE2 3.58Å; I316-Y362 HydrophobicContact CD1-CG 3.89Å; I316-Y362 HydrophobicContact CG2-CD1 4.16Å; I316-Y362 HydrophobicContact CG2-CG 3.91Å; T358-Y362 PolarHBondContact O-N 2.94Å; V359-Y362 WeakPolarHBondContact O-CB 3.36Å; V359-Y362 PolarHBondContact O-N 3.47Å; N360-Y362 VanDerWaalsContact C-N 3.25Å; N360-Y362 PolarHBondContact O-N 3.26Å; Y362-E364 VanDerWaalsContact C-N 3.31Å; Y362-E364 PolarHBondContact O-N 3.08Å; Y362-Y365 HydrophobicContact CD2-CD1 4.24Å; Y362-Y365 HydrophobicContact CE2-CD1 4.3Å; Y362-Y365 WeakPolarHBondContact O-CB 3.25Å; Y362-Y365 PolarHBondContact O-N 3.27Å; Y362-E366 PolarHBondContact O-N 3.23Å; Y362-E366 PolarHBondContact OH-OE2 3.35Å; Y362-E366 VanDerWaalsContact OH-OE2 3.05Å
363	I	93.7	Very high	89	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-57.5	-47.7	176.9	-67.7	165.2	0	0	0	109.7	W250 I253 L274 F275 V359 N360 E366 R367	W250-I363 HydrophobicContact CH2-CG2 4.11Å; W250-I363 HydrophobicContact CZ3-CD1 4.02Å; W250-I363 HydrophobicContact CZ3-CG1 4.18Å; W250-I363 HydrophobicContact CZ3-CG2 4.47Å; I253-I363 HydrophobicContact CD1-CD1 4.31Å; I253-I363 HydrophobicContact CD1-CG1 3.97Å; I253-I363 HydrophobicContact CG2-CD1 3.97Å; L274-I363 HydrophobicContact CD1-CG1 4.37Å; F275-I363 WeakPolarHBondContact CE2-O 3.28Å; F275-I363 HydrophobicContact CZ-CG2 3.92Å; V359-I363 HydrophobicContact CG1-CD1 4.08Å; V359-I363 WeakPolarHBondContact O-CG1 3.46Å; V359-I363 PolarHBondContact O-N 3.39Å; N360-I363 PolarHBondContact O-N 3.49Å; I363-E366 PolarHBondContact O-N 2.83Å; I363-R367 VanDerWaalsContact O-CB 3.31Å; I363-R367 WeakPolarHBondContact O-CB 3.14Å; I363-R367 PolarHBondContact O-N 3.41Å
364	E	93.4	Very high	88.4	Confident	84 Å²	84	62.4 Å²	62.4	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-41.4	176.9	-62.9	-52.9	144.3	0	0	112.3	N360 Y362 E366 R367 D368	N360-E364 PolarHBondContact O-N 2.9Å; N360-E364 VanDerWaalsContact O-N 3.12Å; Y362-E364 VanDerWaalsContact C-N 3.31Å; Y362-E364 PolarHBondContact O-N 3.08Å; E364-E366 PolarHBondContact O-N 3.33Å; E364-R367 VanDerWaalsContact O-CB 3.32Å; E364-R367 WeakPolarHBondContact O-CB 3.47Å; E364-R367 PolarHBondContact O-N 3.46Å; E364-R367 IonicContact OE1-CZ 3.52Å; E364-R367 IonicContact OE1-NH1 3.91Å; E364-R367 PolarHBondContact OE1-NH1 3.29Å; E364-R367 IonicContact OE1-NH2 2.69Å; E364-R367 IonicContact OE2-CZ 3.65Å; E364-R367 IonicContact OE2-NE 3.73Å; E364-R367 IonicContact OE2-NH1 3.62Å; E364-R367 PolarHBondContact OE2-NH1 3.03Å; E364-D368 PolarHBondContact O-N 3.3Å
365	Y	91.4	Very high	88.3	Confident	61 Å²	61	61.3 Å²	61.3	24%	0.239	32%	0.322	C	S	.	.	H	α-helix	trans	-57.8	-49	174.8	170.2	-97.1	0	0	0	112.2	S284 F287 K361 Y362 R367 D368 I369	S284-Y365 PolarHBondContact O-OH 3.28Å; F287-Y365 HydrophobicContact CB-CD1 4.02Å; F287-Y365 HydrophobicContact CB-CE1 4.04Å; F287-Y365 AromaticContact CD2-CD1 3.77Å; F287-Y365 HydrophobicContact CD2-CD1 3.77Å; F287-Y365 AromaticContact CD2-CD2 3.96Å; F287-Y365 HydrophobicContact CD2-CD2 3.96Å; F287-Y365 HydrophobicContact CD2-CE1 4.43Å; F287-Y365 AromaticContact CD2-CG 3.51Å; F287-Y365 HydrophobicContact CD2-CG 3.51Å; F287-Y365 HydrophobicContact CE2-CG 4.08Å; F287-Y365 HydrophobicContact CG-CD1 4.13Å; F287-Y365 HydrophobicContact CG-CG 4.32Å; K361-Y365 WeakPolarHBondContact O-CB 3.46Å; K361-Y365 PolarHBondContact O-N 3.35Å; Y362-Y365 HydrophobicContact CD2-CD1 4.24Å; Y362-Y365 HydrophobicContact CE2-CD1 4.3Å; Y362-Y365 WeakPolarHBondContact O-CB 3.25Å; Y362-Y365 PolarHBondContact O-N 3.27Å; Y365-R367 VanDerWaalsContact C-N 3.25Å; Y365-R367 PolarHBondContact O-N 3.17Å; Y365-D368 PolarHBondContact O-N 3.17Å; Y365-I369 HydrophobicContact CE1-CD1 3.96Å; Y365-I369 HydrophobicContact CE2-CG2 4.31Å; Y365-I369 PolarHBondContact O-N 3.09Å
366	E	91.1	Very high	88.3	Confident	3 Å²	3	64 Å²	64	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-67.9	-31.3	179.6	-159.6	-172.4	125.1	0	0	111.5	S273 L274 F275 I280 Y309 Y362 I363 E364 D368 I369 T370	S273-E366 WeakPolarHBondContact CB-OE1 3.41Å; L274-E366 VanDerWaalsContact CB-OE1 3.24Å; L274-E366 WeakPolarHBondContact CB-OE1 3.21Å; L274-E366 HydrophobicContact CD1-CB 4.09Å; L274-E366 WeakPolarHBondContact CG-OE2 3.34Å; L274-E366 PolarHBondContact N-OE1 3.06Å; F275-E366 HydrophobicContact CD2-CB 4.45Å; F275-E366 HydrophobicContact CD2-CG 4.43Å; F275-E366 HydrophobicContact CE2-CB 4.06Å; I280-E366 HydrophobicContact CD1-CG 3.95Å; Y309-E366 VanDerWaalsContact OH-CD 3.26Å; Y309-E366 PolarHBondContact OH-OE1 3.09Å; Y309-E366 PolarHBondContact OH-OE2 3.27Å; Y362-E366 PolarHBondContact O-N 3.23Å; Y362-E366 PolarHBondContact OH-OE2 3.35Å; Y362-E366 VanDerWaalsContact OH-OE2 3.05Å; I363-E366 PolarHBondContact O-N 2.83Å; E364-E366 PolarHBondContact O-N 3.33Å; E366-D368 VanDerWaalsContact C-N 3.29Å; E366-D368 PolarHBondContact O-N 3.32Å; E366-I369 HydrophobicContact CG-CD1 4.28Å; E366-I369 HydrophobicContact CG-CG1 4.36Å; E366-I369 WeakPolarHBondContact O-CG1 3.4Å; E366-T370 PolarHBondContact O-N 3.47Å
367	R	91.1	Very high	88.2	Confident	61 Å²	61	62.7 Å²	62.7	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-38.6	174.3	-170.1	-177	-73.7	156	-0.5	110.6	E228 F275 I363 E364 Y365 T370 K375	E228-R367 IonicContact OE1-CZ 3.05Å; E228-R367 IonicContact OE1-NE 2.72Å; E228-R367 IonicContact OE1-NH2 3.36Å; E228-R367 PolarHBondContact OE1-NH2 3.42Å; F275-R367 HydrophobicContact CD2-CB 4.31Å; F275-R367 HydrophobicContact CE1-CB 4.45Å; F275-R367 HydrophobicContact CE1-CG 4.43Å; F275-R367 HydrophobicContact CE2-CB 3.59Å; F275-R367 HydrophobicContact CE2-CG 4.31Å; F275-R367 HydrophobicContact CZ-CB 3.65Å; F275-R367 HydrophobicContact CZ-CG 4.1Å; I363-R367 VanDerWaalsContact O-CB 3.31Å; I363-R367 WeakPolarHBondContact O-CB 3.14Å; I363-R367 PolarHBondContact O-N 3.41Å; E364-R367 VanDerWaalsContact O-CB 3.32Å; E364-R367 WeakPolarHBondContact O-CB 3.47Å; E364-R367 PolarHBondContact O-N 3.46Å; E364-R367 IonicContact OE1-CZ 3.52Å; E364-R367 IonicContact OE1-NH1 3.91Å; E364-R367 PolarHBondContact OE1-NH1 3.29Å; E364-R367 IonicContact OE1-NH2 2.69Å; E364-R367 IonicContact OE2-CZ 3.65Å; E364-R367 IonicContact OE2-NE 3.73Å; E364-R367 IonicContact OE2-NH1 3.62Å; E364-R367 PolarHBondContact OE2-NH1 3.03Å; Y365-R367 VanDerWaalsContact C-N 3.25Å; Y365-R367 PolarHBondContact O-N 3.17Å; R367-T370 WeakPolarHBondContact O-CG2 3.37Å; R367-K375 WeakPolarHBondContact CD-O 3.48Å; R367-K375 HydrophobicContact CG-CB 3.71Å; R367-K375 HydrophobicContact CG-CD 4.45Å; R367-K375 VanDerWaalsContact CG-O 3.28Å; R367-K375 WeakPolarHBondContact CG-O 3.21Å; R367-K375 PolarHBondContact NE-O 3.41Å; R367-K375 WeakPolarHBondContact O-CD 3.38Å
368	D	88.8	Confident	87.9	Confident	110 Å²	110	64.1 Å²	64.1	59%	0.588	34%	0.339	S	S	*	.	H	α-helix	trans	-70	-40.3	-179	-80.2	-23.1	0	0	0	113.2	E364 Y365 E366 T370 K375	E364-D368 PolarHBondContact O-N 3.3Å; Y365-D368 PolarHBondContact O-N 3.17Å; E366-D368 VanDerWaalsContact C-N 3.29Å; E366-D368 PolarHBondContact O-N 3.32Å; D368-T370 VanDerWaalsContact C-N 3.32Å; D368-T370 PolarHBondContact O-N 2.77Å; D368-K375 PolarHBondContact O-NZ 3.43Å; D368-K375 IonicContact OD1-NZ 3.39Å
369	I	86.8	Confident	87.5	Confident	66 Å²	66	64.5 Å²	64.5	34%	0.338	34%	0.341	S	S	.	.	H	α-helix	trans	-79.9	-11.5	-179.5	67.6	174.1	0	0	0	113.7	I280 Y365 E366 S371	I280-I369 HydrophobicContact CG2-CD1 4.21Å; Y365-I369 HydrophobicContact CE1-CD1 3.96Å; Y365-I369 HydrophobicContact CE2-CG2 4.31Å; Y365-I369 PolarHBondContact O-N 3.09Å; E366-I369 HydrophobicContact CG-CD1 4.28Å; E366-I369 HydrophobicContact CG-CG1 4.36Å; E366-I369 WeakPolarHBondContact O-CG1 3.4Å; I369-S371 PolarHBondContact O-N 2.95Å
370	T	83.7	Confident	86.9	Confident	23 Å²	23	68.1 Å²	68.1	14%	0.141	36%	0.355	C	S	.	.			trans	-67.2	132.9	179.6	-161.9	0	0	0	0	110.9	F275 E366 R367 D368 K372 K375	F275-T370 HydrophobicContact CB-CG2 4.33Å; E366-T370 PolarHBondContact O-N 3.47Å; R367-T370 WeakPolarHBondContact O-CG2 3.37Å; D368-T370 VanDerWaalsContact C-N 3.32Å; D368-T370 PolarHBondContact O-N 2.77Å; T370-K372 VanDerWaalsContact C-N 3.27Å; T370-K372 HydrophobicContact CG2-CB 4.49Å; T370-K372 PolarHBondContact O-N 3.42Å; T370-K375 HydrophobicContact CG2-CB 3.91Å; T370-K375 HydrophobicContact CG2-CD 4.33Å; T370-K375 HydrophobicContact CG2-CG 3.71Å
371	S	77.6	Confident	86.2	Confident	112 Å²	112	68.5 Å²	68.5	78%	0.783	36%	0.361	S	S	*	.			trans	-83.9	-1.4	178.6	45.8	0	0	0	0	113.3	I369	I369-S371 PolarHBondContact O-N 2.95Å
372	K	76.2	Confident	85.3	Confident	74 Å²	74	66 Å²	66	32%	0.322	36%	0.358	S	S	.	.			trans	-70.5	141.5	177.2	-99.2	-171.6	177.3	-179.6	0	111	F275 T370	F275-K372 VanDerWaalsContact O-CD 3.24Å; F275-K372 WeakPolarHBondContact O-CD 3.05Å; F275-K372 WeakPolarHBondContact O-CE 3.31Å; F275-K372 PolarHBondContact O-NZ 3.07Å; T370-K372 VanDerWaalsContact C-N 3.27Å; T370-K372 HydrophobicContact CG2-CB 4.49Å; T370-K372 PolarHBondContact O-N 3.42Å
373	P	76.4	Confident	84.3	Confident	125 Å²	125	70.3 Å²	70.3	81%	0.812	39%	0.386	S	S	*	.	S	Bend	trans	-65.2	-45.4	176.4	23.4	-30.6	0	0	0	111.8	K375	P373-K375 PolarHBondContact O-N 3.35Å
374	N	75.2	Confident	82.9	Confident	117 Å²	117	75.6 Å²	75.6	63%	0.626	41%	0.411	S	S	*	.	S	Bend	trans	-89	99.6	170.2	-69.7	-0.3	0	0	0	107.8	T376	N374-T376 PolarHBondContact O-N 3.46Å
375	K	85.7	Confident	81.2	Confident	81 Å²	81	75 Å²	75	35%	0.352	41%	0.413	S	S	.	.			trans	-76.3	44.3	179.8	-58.2	-174.6	163.6	-155.8	0	112.2	R367 D368 T370 P373	R367-K375 WeakPolarHBondContact CD-O 3.48Å; R367-K375 HydrophobicContact CG-CB 3.71Å; R367-K375 HydrophobicContact CG-CD 4.45Å; R367-K375 VanDerWaalsContact CG-O 3.28Å; R367-K375 WeakPolarHBondContact CG-O 3.21Å; R367-K375 PolarHBondContact NE-O 3.41Å; R367-K375 WeakPolarHBondContact O-CD 3.38Å; D368-K375 PolarHBondContact O-NZ 3.43Å; D368-K375 IonicContact OD1-NZ 3.39Å; T370-K375 HydrophobicContact CG2-CB 3.91Å; T370-K375 HydrophobicContact CG2-CD 4.33Å; T370-K375 HydrophobicContact CG2-CG 3.71Å; P373-K375 PolarHBondContact O-N 3.35Å
376	T	90.3	Very high	79.5	Confident	68 Å²	68	75.4 Å²	75.4	42%	0.417	42%	0.424	S	S	.	.	S	Bend	trans	-130.2	158.7	-178	58.8	0	0	0	0	110.3	N374	N374-T376 PolarHBondContact O-N 3.46Å
377	F	90.5	Very high	77.7	Confident	16 Å²	16	80.1 Å²	80.1	7%	0.07	44%	0.443	C	S	.	.			trans	-62.1	137.4	170	-176.4	-103.3	0	0	0	109.4	P227 E228 E246 L247 W250 L274 V379	P227-F377 HydrophobicContact CG-CD1 4.01Å; P227-F377 HydrophobicContact CG-CD2 3.99Å; P227-F377 HydrophobicContact CG-CE1 4.1Å; P227-F377 HydrophobicContact CG-CE2 4.11Å; P227-F377 HydrophobicContact CG-CG 3.93Å; P227-F377 HydrophobicContact CG-CZ 4.15Å; E228-F377 HydrophobicContact CG-CB 4.17Å; E228-F377 WeakPolarHBondContact OE2-CB 3.45Å; E228-F377 PolarHBondContact OE2-N 2.94Å; E246-F377 HydrophobicContact CB-CE2 4.04Å; E246-F377 HydrophobicContact CB-CZ 4.25Å; E246-F377 HydrophobicContact CG-CE2 3.99Å; E246-F377 HydrophobicContact CG-CZ 3.66Å; L247-F377 HydrophobicContact CD2-CE1 4.4Å; L247-F377 HydrophobicContact CD2-CE2 4.46Å; L247-F377 HydrophobicContact CD2-CZ 3.77Å; W250-F377 AromaticContact CD1-CE2 3.83Å; W250-F377 AromaticContact CE2-CD2 3.99Å; W250-F377 HydrophobicContact CZ2-CB 4.36Å; W250-F377 HydrophobicContact CZ2-CD2 4.37Å; W250-F377 AromaticContact NE1-CD2 3.32Å; W250-F377 VanDerWaalsContact NE1-CD2 3.32Å; W250-F377 AromaticContact NE1-CE2 3.59Å; L274-F377 WeakPolarHBondContact O-CD2 3.32Å; F377-V379 HydrophobicContact CD1-CG2 3.85Å; F377-V379 HydrophobicContact CE1-CB 4.18Å; F377-V379 HydrophobicContact CE1-CG2 3.7Å
378	V	86.7	Confident	76.4	Confident	84 Å²	84	80.8 Å²	80.8	51%	0.509	45%	0.451	S	S	.	.			trans	-119	104.1	177.5	-178.8	0	0	0	0	107.4
379	V	84	Confident	75	Confident	40 Å²	40	76 Å²	76	24%	0.242	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-61.9	141.2	174.3	-165.8	0	0	0	0	109.1	V203 N226 F377	V203-V379 HydrophobicContact CG2-CG1 4.12Å; N226-V379 HydrophobicContact CB-CG2 4.48Å; F377-V379 HydrophobicContact CD1-CG2 3.85Å; F377-V379 HydrophobicContact CE1-CB 4.18Å; F377-V379 HydrophobicContact CE1-CG2 3.7Å
380	R	81.4	Confident	73.7	Confident	76 Å²	76	77 Å²	77	29%	0.287	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-58.7	138.7	170.3	-177	-178.2	-52.8	-164.8	-1.4	110.6	V203 D245 E246	V203-R380 HydrophobicContact CG1-CB 4.49Å; V203-R380 WeakPolarHBondContact CG2-O 3.07Å; D245-R380 VanDerWaalsContact CB-NH2 3.25Å; D245-R380 VanDerWaalsContact CG-NH2 3.31Å; D245-R380 IonicContact OD2-CZ 3.67Å; D245-R380 IonicContact OD2-NH1 3.86Å; D245-R380 PolarHBondContact OD2-NH1 3.31Å; D245-R380 IonicContact OD2-NH2 2.77Å; D245-R380 PolarHBondContact OD2-NH2 2.83Å; E246-R380 VanDerWaalsContact OE1-CB 3.23Å; E246-R380 WeakPolarHBondContact OE1-CB 3.37Å; E246-R380 IonicContact OE1-CZ 3.34Å; E246-R380 IonicContact OE1-NE 2.68Å; E246-R380 PolarHBondContact OE1-NE 2.72Å; E246-R380 IonicContact OE1-NH2 3.45Å; E246-R380 IonicContact OE2-CZ 2.71Å; E246-R380 IonicContact OE2-NE 3.71Å; E246-R380 IonicContact OE2-NH2 3.94Å; E246-R380 PolarHBondContact OE2-NH2 3.34Å
381	P	78.6	Confident	72.9	Confident	91 Å²	91	81.2 Å²	81.2	59%	0.591	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-61.7	142.9	176.4	21.3	-30.1	0	0	0	111.1	T383	P381-T383 PolarHBondContact O-N 2.91Å
382	P	75.8	Confident	72.8	Confident	75 Å²	75	76.3 Å²	76.3	49%	0.487	43%	0.425	S	S	.	.	S	Bend	trans	-62.1	-28	-178.9	-20.6	30.1	0	0	0	113.1	V203 R204	V203-P382 HydrophobicContact CG2-CG 4.5Å; R204-P382 WeakPolarHBondContact CD-O 3.5Å
383	T	72.1	Confident	73.2	Confident	103 Å²	103	75.5 Å²	75.5	63%	0.632	43%	0.429	S	S	*	.	S	Bend	trans	-103.4	118.3	-179.9	-50.1	0	0	0	0	110.5	P381 V385	P381-T383 PolarHBondContact O-N 2.91Å; T383-V385 PolarHBondContact O-N 2.66Å
384	E	63.6	Low	73.5	Confident	118 Å²	118	77.1 Å²	77.1	55%	0.551	42%	0.423	S	S	*	.			trans	-85.8	101	176.9	-158.5	170.1	-170.9	0	0	108.8	R206 S386	R206-E384 IonicContact NH1-OE2 3.44Å; R206-E384 PolarHBondContact NH1-OE2 3.25Å; E384-S386 PolarHBondContact O-N 2.69Å
385	V	57.5	Low	74.1	Confident	72 Å²	72	75.6 Å²	75.6	44%	0.436	42%	0.422	S	S	.	.			trans	-71.8	119	173	-176.2	0	0	0	0	107.3	T383 Y387	T383-V385 PolarHBondContact O-N 2.66Å; V385-Y387 HydrophobicContact CB-CD2 4.17Å; V385-Y387 HydrophobicContact CB-CE1 4.36Å; V385-Y387 HydrophobicContact CB-CE2 3.55Å; V385-Y387 HydrophobicContact CG1-CD1 4.28Å; V385-Y387 HydrophobicContact CG1-CD2 4.35Å; V385-Y387 HydrophobicContact CG1-CE1 3.77Å; V385-Y387 HydrophobicContact CG1-CE2 3.88Å; V385-Y387 HydrophobicContact CG2-CE2 4.48Å; V385-Y387 WeakPolarHBondContact O-CD2 3.25Å; V385-Y387 PolarHBondContact O-N 3.21Å
386	S	56.3	Low	74.2	Confident	69 Å²	69	72.8 Å²	72.8	48%	0.483	41%	0.412	S	S	.	.			trans	-69.1	92.4	177.4	51.9	0	0	0	0	110.2	E384 N388 K391	E384-S386 PolarHBondContact O-N 2.69Å; S386-N388 PolarHBondContact O-N 3.13Å; S386-K391 VanDerWaalsContact O-CD 3.3Å; S386-K391 WeakPolarHBondContact O-CD 3.37Å; S386-K391 WeakPolarHBondContact O-CE 3.48Å; S386-K391 PolarHBondContact O-NZ 3.24Å; S386-K391 WeakPolarHBondContact OG-CE 3.49Å; S386-K391 PolarHBondContact OG-NZ 2.94Å
387	Y	54.6	Low	74.1	Confident	101 Å²	101	71.3 Å²	71.3	40%	0.396	40%	0.401	S	S	.	.			trans	-86.2	106.1	169.9	-62.1	-72.4	0	0	0	107.6	V385 Q465 H466	V385-Y387 HydrophobicContact CB-CD2 4.17Å; V385-Y387 HydrophobicContact CB-CE1 4.36Å; V385-Y387 HydrophobicContact CB-CE2 3.55Å; V385-Y387 HydrophobicContact CG1-CD1 4.28Å; V385-Y387 HydrophobicContact CG1-CD2 4.35Å; V385-Y387 HydrophobicContact CG1-CE1 3.77Å; V385-Y387 HydrophobicContact CG1-CE2 3.88Å; V385-Y387 HydrophobicContact CG2-CE2 4.48Å; V385-Y387 WeakPolarHBondContact O-CD2 3.25Å; V385-Y387 PolarHBondContact O-N 3.21Å; Y387-Q465 CarbonylContact C-O 3.53Å; Y387-Q465 VanDerWaalsContact C-O 3.27Å; Y387-H466 VanDerWaalsContact CB-CD2 3.43Å; Y387-H466 WeakPolarHBondContact CB-CD2 3.11Å; Y387-H466 AromaticContact CD2-CD2 3.51Å; Y387-H466 AromaticContact CD2-NE2 3.46Å; Y387-H466 WeakPolarHBondContact CD2-NE2 3.45Å; Y387-H466 AromaticContact CG-CD2 3.8Å
388	N	62.4	Low	74	Confident	76 Å²	76	73.2 Å²	73.2	41%	0.406	41%	0.412	S	S	.	.			trans	-133.2	151.5	170.2	62.5	22.6	0	0	0	108.2	S386 A390 K391	S386-N388 PolarHBondContact O-N 3.13Å; N388-A390 PolarHBondContact O-N 3Å; N388-A390 WeakPolarHBondContact OD1-CB 3.47Å; N388-A390 PolarHBondContact OD1-N 2.72Å; N388-K391 PolarHBondContact O-N 3.34Å; N388-K391 PolarHBondContact OD1-N 3.42Å
389	C	59	Low	74.3	Confident	10 Å²	10	74.5 Å²	74.5	7%	0.068	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-56.6	-14	174.4	-71	0	0	0	0	113.1	K391 V392 G467 V472	C389-K391 PolarHBondContact O-N 2.72Å; C389-V392 WeakPolarHBondContact O-CB 3.2Å; C389-V392 PolarHBondContact O-N 3.33Å; C389-V392 VanDerWaalsContact O-N 3.13Å; C389-G467 VanDerWaalsContact SG-CA 3.51Å; C389-V472 HydrophobicContact CB-CG2 4.46Å
390	A	60.9	Low	74.7	Confident	86 Å²	86	72.7 Å²	72.7	71%	0.711	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-70.1	-15.3	174.9	0	0	0	0	0	113.5	N388	N388-A390 PolarHBondContact O-N 3Å; N388-A390 WeakPolarHBondContact OD1-CB 3.47Å; N388-A390 PolarHBondContact OD1-N 2.72Å
391	K	66.1	Low	75.3	Confident	112 Å²	112	69.2 Å²	69.2	49%	0.487	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-86.1	-13.2	169.4	-70.9	-173.4	179.4	173.2	0	113.7	S386 N388 C389	S386-K391 VanDerWaalsContact O-CD 3.3Å; S386-K391 WeakPolarHBondContact O-CD 3.37Å; S386-K391 WeakPolarHBondContact O-CE 3.48Å; S386-K391 PolarHBondContact O-NZ 3.24Å; S386-K391 WeakPolarHBondContact OG-CE 3.49Å; S386-K391 PolarHBondContact OG-NZ 2.94Å; N388-K391 PolarHBondContact O-N 3.34Å; N388-K391 PolarHBondContact OD1-N 3.42Å; C389-K391 PolarHBondContact O-N 2.72Å
392	V	75.8	Confident	76	Confident	8 Å²	8	67.6 Å²	67.6	5%	0.048	37%	0.372	C	S	.	.	S	Bend	trans	-69.7	135.9	170.6	-179	0	0	0	0	107.6	C389 K394 V396 L397 L461 L462 Q465	C389-V392 WeakPolarHBondContact O-CB 3.2Å; C389-V392 PolarHBondContact O-N 3.33Å; C389-V392 VanDerWaalsContact O-N 3.13Å; V392-K394 PolarHBondContact O-N 3.09Å; V392-V396 HydrophobicContact CG1-CB 3.88Å; V392-V396 HydrophobicContact CG1-CG1 3.76Å; V392-L397 HydrophobicContact CB-CD2 4Å; V392-L397 HydrophobicContact CB-CG 4.17Å; V392-L397 HydrophobicContact CG1-CD2 3.84Å; V392-L397 HydrophobicContact CG1-CG 4Å; V392-L461 HydrophobicContact CG1-CD2 4.05Å; V392-L461 HydrophobicContact CG2-CG 4.47Å; V392-L462 HydrophobicContact CG2-CD2 4.26Å; V392-Q465 HydrophobicContact CG2-CB 4.06Å; V392-Q465 HydrophobicContact CG2-CG 3.74Å
393	S	83.8	Confident	77	Confident	58 Å²	58	66.6 Å²	66.6	41%	0.406	36%	0.364	S	S	.	.			trans	-57.8	140.6	-178.6	64.2	0	0	0	0	110.7	S395 V396 L397	S393-S395 PolarHBondContact O-N 3.46Å; S393-S395 PolarHBondContact OG-OG 2.91Å; S393-V396 PolarHBondContact O-N 2.46Å; S393-V396 WeakPolarHBondContact OG-CG2 3.38Å; S393-L397 PolarHBondContact O-N 3.3Å
394	K	84	Confident	78.1	Confident	158 Å²	158	61.7 Å²	61.7	69%	0.687	33%	0.334	S	S	*	.	H	α-helix	trans	-55.8	-36.9	-179.9	-172.8	-177.6	173.5	-170.1	0	111.7	V392 V396 L397 D398	V392-K394 PolarHBondContact O-N 3.09Å; K394-V396 VanDerWaalsContact C-N 3.34Å; K394-V396 PolarHBondContact O-N 3.31Å; K394-L397 PolarHBondContact O-N 2.94Å; K394-D398 WeakPolarHBondContact CE-OD2 3.44Å; K394-D398 WeakPolarHBondContact CG-OD2 3.37Å; K394-D398 VanDerWaalsContact O-CB 3.32Å; K394-D398 WeakPolarHBondContact O-CB 3.28Å; K394-D398 VanDerWaalsContact O-CG 3.23Å; K394-D398 PolarHBondContact O-N 2.97Å
395	S	87.9	Confident	79.7	Confident	85 Å²	85	56.3 Å²	56.3	59%	0.594	31%	0.309	S	S	*	.	H	α-helix	trans	-59.9	-40	176.9	56.1	0	0	0	0	113.3	S393 K399	S393-S395 PolarHBondContact O-N 3.46Å; S393-S395 PolarHBondContact OG-OG 2.91Å; S395-K399 VanDerWaalsContact O-CB 3.26Å; S395-K399 WeakPolarHBondContact O-CB 3.3Å; S395-K399 PolarHBondContact O-N 2.91Å
396	V	87.5	Confident	81.6	Confident	23 Å²	23	59.4 Å²	59.4	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-69.1	-44.8	177	170.6	0	0	0	0	110.5	V392 S393 K394 D398 K399 I400 L461	V392-V396 HydrophobicContact CG1-CB 3.88Å; V392-V396 HydrophobicContact CG1-CG1 3.76Å; S393-V396 PolarHBondContact O-N 2.46Å; S393-V396 WeakPolarHBondContact OG-CG2 3.38Å; K394-V396 VanDerWaalsContact C-N 3.34Å; K394-V396 PolarHBondContact O-N 3.31Å; V396-D398 VanDerWaalsContact C-N 3.33Å; V396-D398 PolarHBondContact O-N 3.06Å; V396-K399 PolarHBondContact O-N 3.2Å; V396-I400 HydrophobicContact CG1-CD1 3.87Å; V396-I400 HydrophobicContact CG1-CG1 4.48Å; V396-I400 VanDerWaalsContact O-CG1 3.28Å; V396-I400 WeakPolarHBondContact O-CG1 3.28Å; V396-I400 PolarHBondContact O-N 3.25Å; V396-L461 HydrophobicContact CG1-CD2 4.3Å
397	L	87.8	Confident	83.6	Confident	37 Å²	37	57.1 Å²	57.1	19%	0.194	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-40.7	177.4	-61.7	178.6	0	0	0	112.2	V392 S393 K394 S401 L462 V472	V392-L397 HydrophobicContact CB-CD2 4Å; V392-L397 HydrophobicContact CB-CG 4.17Å; V392-L397 HydrophobicContact CG1-CD2 3.84Å; V392-L397 HydrophobicContact CG1-CG 4Å; S393-L397 PolarHBondContact O-N 3.3Å; K394-L397 PolarHBondContact O-N 2.94Å; L397-S401 VanDerWaalsContact O-CB 3.31Å; L397-S401 WeakPolarHBondContact O-CB 3.4Å; L397-S401 PolarHBondContact O-N 3.38Å; L397-S401 PolarHBondContact O-OG 2.91Å; L397-L462 HydrophobicContact CD2-CD2 4.31Å; L397-V472 HydrophobicContact CD2-CG1 3.9Å; L397-V472 HydrophobicContact CD2-CG2 3.83Å
398	D	89	Confident	85.6	Confident	55 Å²	55	52.3 Å²	52.3	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-67.7	-42.5	177.6	-73.2	-16.7	0	0	0	110.7	K394 V396 S401 H402	K394-D398 WeakPolarHBondContact CE-OD2 3.44Å; K394-D398 WeakPolarHBondContact CG-OD2 3.37Å; K394-D398 VanDerWaalsContact O-CB 3.32Å; K394-D398 WeakPolarHBondContact O-CB 3.28Å; K394-D398 VanDerWaalsContact O-CG 3.23Å; K394-D398 PolarHBondContact O-N 2.97Å; V396-D398 VanDerWaalsContact C-N 3.33Å; V396-D398 PolarHBondContact O-N 3.06Å; D398-S401 PolarHBondContact O-N 3.16Å; D398-H402 WeakPolarHBondContact O-CB 3.45Å; D398-H402 PolarHBondContact O-N 2.88Å; D398-H402 PolarHBondContact O-ND1 2.85Å
399	K	93	Very high	87.2	Confident	111 Å²	111	50 Å²	50	48%	0.483	27%	0.271	S	S	.	.	H	α-helix	trans	-57.3	-53.2	173.9	177.4	-166.9	172.5	-159	0	111.2	S395 V396 S401 H402 T403 D458	S395-K399 VanDerWaalsContact O-CB 3.26Å; S395-K399 WeakPolarHBondContact O-CB 3.3Å; S395-K399 PolarHBondContact O-N 2.91Å; V396-K399 PolarHBondContact O-N 3.2Å; K399-S401 VanDerWaalsContact C-N 3.32Å; K399-S401 PolarHBondContact O-N 3.49Å; K399-H402 PolarHBondContact O-N 2.87Å; K399-T403 PolarHBondContact O-N 2.97Å; K399-T403 PolarHBondContact O-OG1 2.89Å; K399-T403 VanDerWaalsContact O-OG1 3.09Å; K399-D458 IonicContact NZ-OD2 2.72Å; K399-D458 PolarHBondContact NZ-OD2 3.47Å
400	I	92.3	Very high	88.9	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-46.3	179.7	-67.9	171.6	0	0	0	110.6	V396 T403 V404 V454 D458 L462 L469 V472	V396-I400 HydrophobicContact CG1-CD1 3.87Å; V396-I400 HydrophobicContact CG1-CG1 4.48Å; V396-I400 VanDerWaalsContact O-CG1 3.28Å; V396-I400 WeakPolarHBondContact O-CG1 3.28Å; V396-I400 PolarHBondContact O-N 3.25Å; I400-T403 PolarHBondContact O-N 2.73Å; I400-V404 PolarHBondContact O-N 3.48Å; I400-V404 VanDerWaalsContact O-N 3.12Å; I400-V454 HydrophobicContact CD1-CG1 4.11Å; I400-V454 HydrophobicContact CG1-CG1 4.03Å; I400-V454 HydrophobicContact CG2-CG2 3.89Å; I400-D458 HydrophobicContact CD1-CB 4.03Å; I400-D458 HydrophobicContact CG1-CB 4.43Å; I400-L462 HydrophobicContact CD1-CD1 3.89Å; I400-L462 HydrophobicContact CD1-CD2 4.41Å; I400-L462 HydrophobicContact CD1-CG 4.24Å; I400-L469 HydrophobicContact CG2-CD1 3.52Å; I400-V472 HydrophobicContact CG2-CG1 4.46Å
401	S	92.8	Very high	90.5	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-48.2	177.1	-63.5	0	0	0	0	111.3	L397 D398 K399 T403 V404 F405 H476 F480	L397-S401 VanDerWaalsContact O-CB 3.31Å; L397-S401 WeakPolarHBondContact O-CB 3.4Å; L397-S401 PolarHBondContact O-N 3.38Å; L397-S401 PolarHBondContact O-OG 2.91Å; D398-S401 PolarHBondContact O-N 3.16Å; K399-S401 VanDerWaalsContact C-N 3.32Å; K399-S401 PolarHBondContact O-N 3.49Å; S401-T403 VanDerWaalsContact C-N 3.33Å; S401-T403 PolarHBondContact O-N 3.23Å; S401-V404 PolarHBondContact O-N 3.46Å; S401-F405 VanDerWaalsContact O-CB 3.22Å; S401-F405 WeakPolarHBondContact O-CB 3.34Å; S401-F405 PolarHBondContact O-N 2.89Å; S401-H476 VanDerWaalsContact CB-ND1 3.28Å; S401-H476 WeakPolarHBondContact CB-ND1 3.46Å; S401-H476 PolarHBondContact OG-ND1 3.4Å; S401-F480 VanDerWaalsContact O-CZ 3.31Å; S401-F480 WeakPolarHBondContact O-CZ 3.47Å
402	H	94.6	Very high	91.7	Very high	58 Å²	58	56.7 Å²	56.7	27%	0.269	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-38.6	179.5	-82.2	86.3	0	0	0	112.9	D398 K399 F405 K406 W521 N525	D398-H402 WeakPolarHBondContact O-CB 3.45Å; D398-H402 PolarHBondContact O-N 2.88Å; D398-H402 PolarHBondContact O-ND1 2.85Å; K399-H402 PolarHBondContact O-N 2.87Å; H402-F405 PolarHBondContact O-N 3.31Å; H402-K406 WeakPolarHBondContact O-CG 3.34Å; H402-K406 PolarHBondContact O-N 3.3Å; H402-W521 AromaticContact CE1-CZ2 3.75Å; H402-W521 AromaticContact NE2-CZ2 3.72Å; H402-N525 PolarHBondContact NE2-OD1 3.22Å; H402-N525 VanDerWaalsContact NE2-OD1 3.1Å
403	T	95.9	Very high	92.5	Very high	53 Å²	53	57 Å²	57	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-49.8	177.1	-57.5	0	0	0	0	111.2	K399 I400 S401 F405 K406 A407 L453	K399-T403 PolarHBondContact O-N 2.97Å; K399-T403 PolarHBondContact O-OG1 2.89Å; K399-T403 VanDerWaalsContact O-OG1 3.09Å; I400-T403 PolarHBondContact O-N 2.73Å; S401-T403 VanDerWaalsContact C-N 3.33Å; S401-T403 PolarHBondContact O-N 3.23Å; T403-F405 VanDerWaalsContact C-N 3.34Å; T403-F405 PolarHBondContact O-N 2.98Å; T403-K406 PolarHBondContact O-N 3.44Å; T403-A407 PolarHBondContact O-N 3.02Å; T403-A407 VanDerWaalsContact O-N 3.1Å; T403-L453 HydrophobicContact CG2-CB 3.97Å
404	V	96.2	Very high	92.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-40.2	178.5	175.8	0	0	0	0	111	I400 S401 A407 L408 C450 L473 F480 V487	I400-V404 PolarHBondContact O-N 3.48Å; I400-V404 VanDerWaalsContact O-N 3.12Å; S401-V404 PolarHBondContact O-N 3.46Å; V404-A407 PolarHBondContact O-N 2.97Å; V404-L408 HydrophobicContact CG1-CD1 4.13Å; V404-L408 HydrophobicContact CG1-CG 4.48Å; V404-L408 WeakPolarHBondContact O-CG 3.24Å; V404-L408 PolarHBondContact O-N 2.93Å; V404-C450 HydrophobicContact CG2-CB 4.34Å; V404-L473 HydrophobicContact CB-CD2 4.1Å; V404-L473 HydrophobicContact CG1-CD1 4.37Å; V404-L473 HydrophobicContact CG1-CD2 4.01Å; V404-L473 HydrophobicContact CG2-CD2 4.12Å; V404-F480 HydrophobicContact CB-CE1 4.38Å; V404-F480 HydrophobicContact CB-CZ 4.22Å; V404-F480 HydrophobicContact CG1-CE1 3.94Å; V404-F480 HydrophobicContact CG1-CZ 4.23Å; V404-V487 HydrophobicContact CG1-CG1 4.48Å
405	F	97.1	Very high	93.1	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.022	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-50	175.8	173.5	-107.8	0	0	0	112.3	S401 H402 T403 A407 L408 L409 C479 F480 L489 W521 M522 N525 H526	S401-F405 VanDerWaalsContact O-CB 3.22Å; S401-F405 WeakPolarHBondContact O-CB 3.34Å; S401-F405 PolarHBondContact O-N 2.89Å; H402-F405 PolarHBondContact O-N 3.31Å; T403-F405 VanDerWaalsContact C-N 3.34Å; T403-F405 PolarHBondContact O-N 2.98Å; F405-A407 VanDerWaalsContact C-N 3.34Å; F405-A407 PolarHBondContact O-N 2.88Å; F405-L408 PolarHBondContact O-N 2.96Å; F405-L409 HydrophobicContact CD1-CD1 4.24Å; F405-L409 HydrophobicContact CE1-CD1 3.54Å; F405-L409 HydrophobicContact CE1-CG 4.37Å; F405-L409 HydrophobicContact CE2-CD1 4.23Å; F405-L409 HydrophobicContact CE2-CD2 4.46Å; F405-L409 HydrophobicContact CE2-CG 4.29Å; F405-L409 HydrophobicContact CZ-CD1 3.52Å; F405-L409 HydrophobicContact CZ-CD2 4.36Å; F405-L409 HydrophobicContact CZ-CG 4.07Å; F405-L409 PolarHBondContact O-N 3.13Å; F405-L409 VanDerWaalsContact O-N 3.14Å; F405-C479 VanDerWaalsContact CD2-SG 3.56Å; F405-F480 HydrophobicContact CB-CE1 4.2Å; F405-F480 HydrophobicContact CB-CZ 4.03Å; F405-L489 HydrophobicContact CD2-CD2 3.48Å; F405-L489 VanDerWaalsContact CD2-CD2 3.48Å; F405-L489 HydrophobicContact CE2-CD1 4.04Å; F405-L489 HydrophobicContact CE2-CD2 3.76Å; F405-W521 HydrophobicContact CB-CH2 4.09Å; F405-W521 AromaticContact CD1-CH2 3.78Å; F405-W521 HydrophobicContact CD1-CH2 3.78Å; F405-W521 HydrophobicContact CD1-CZ3 4.33Å; F405-W521 AromaticContact CD2-CH2 3.83Å; F405-W521 HydrophobicContact CD2-CH2 3.83Å; F405-W521 AromaticContact CD2-CZ3 3.75Å; F405-W521 HydrophobicContact CD2-CZ3 3.75Å; F405-W521 HydrophobicContact CE1-CH2 4.15Å; F405-W521 HydrophobicContact CE1-CZ3 4.36Å; F405-W521 HydrophobicContact CE2-CH2 4.22Å; F405-W521 AromaticContact CE2-CZ3 3.81Å; F405-W521 HydrophobicContact CE2-CZ3 3.81Å; F405-W521 AromaticContact CG-CH2 3.61Å; F405-W521 HydrophobicContact CG-CH2 3.61Å; F405-W521 HydrophobicContact CG-CZ3 4.03Å; F405-W521 HydrophobicContact CZ-CH2 4.36Å; F405-W521 HydrophobicContact CZ-CZ3 4.12Å; F405-M522 HydrophobicContact CE2-SD 4.17Å; F405-N525 WeakPolarHBondContact CE1-O 3.41Å; F405-H526 AromaticContact CE2-CD2 3.84Å; F405-H526 HydrophobicContact CZ-CB 4.06Å; F405-H526 AromaticContact CZ-CD2 3.63Å
406	K	97.1	Very high	93.1	Very high	137 Å²	137	61.1 Å²	61.1	60%	0.596	29%	0.294	S	S	*	.	H	α-helix	trans	-61.6	-41.8	178	-74.5	-179.1	178.5	-175	0	112	H402 T403 L408 L409 I410	H402-K406 WeakPolarHBondContact O-CG 3.34Å; H402-K406 PolarHBondContact O-N 3.3Å; T403-K406 PolarHBondContact O-N 3.44Å; K406-L408 VanDerWaalsContact C-N 3.32Å; K406-L408 PolarHBondContact O-N 3.46Å; K406-L409 PolarHBondContact O-N 3.13Å; K406-I410 WeakPolarHBondContact O-CG1 3.47Å; K406-I410 PolarHBondContact O-N 3.06Å
407	A	97.3	Very high	93.1	Very high	22 Å²	22	63.7 Å²	63.7	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-38.4	177.8	0	0	0	0	0	112.3	T403 V404 F405 L409 I410 C411 L445 L453	T403-A407 PolarHBondContact O-N 3.02Å; T403-A407 VanDerWaalsContact O-N 3.1Å; V404-A407 PolarHBondContact O-N 2.97Å; F405-A407 VanDerWaalsContact C-N 3.34Å; F405-A407 PolarHBondContact O-N 2.88Å; A407-L409 PolarHBondContact O-N 2.72Å; A407-I410 PolarHBondContact O-N 2.88Å; A407-C411 PolarHBondContact O-N 2.69Å; A407-L445 HydrophobicContact CB-CD1 3.77Å; A407-L453 HydrophobicContact CB-CD1 3.31Å; A407-L453 HydrophobicContact CB-CD2 4.37Å; A407-L453 HydrophobicContact CB-CG 4.48Å
408	L	97.3	Very high	93.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-37.1	175.1	-73.3	169.3	0	0	0	112.8	V404 F405 K406 I410 C411 G442 G443 L445 F480 V487 L489	V404-L408 HydrophobicContact CG1-CD1 4.13Å; V404-L408 HydrophobicContact CG1-CG 4.48Å; V404-L408 WeakPolarHBondContact O-CG 3.24Å; V404-L408 PolarHBondContact O-N 2.93Å; F405-L408 PolarHBondContact O-N 2.96Å; K406-L408 VanDerWaalsContact C-N 3.32Å; K406-L408 PolarHBondContact O-N 3.46Å; L408-I410 VanDerWaalsContact C-N 3.28Å; L408-I410 PolarHBondContact O-N 2.73Å; L408-C411 WeakPolarHBondContact O-CB 3.38Å; L408-C411 PolarHBondContact O-N 3.08Å; L408-G442 CarbonylContact O-C 3.52Å; L408-G442 WeakPolarHBondContact O-CA 3.43Å; L408-G443 WeakPolarHBondContact CD2-O 3.16Å; L408-G443 PolarHBondContact O-N 3.26Å; L408-L445 HydrophobicContact CD2-CB 4.03Å; L408-L445 HydrophobicContact CD2-CD1 3.94Å; L408-L445 HydrophobicContact CD2-CG 3.76Å; L408-L445 HydrophobicContact CG-CD1 4.12Å; L408-L445 HydrophobicContact CG-CG 4.48Å; L408-F480 HydrophobicContact CD1-CD1 3.8Å; L408-F480 HydrophobicContact CD1-CE1 3.75Å; L408-V487 HydrophobicContact CD1-CG1 4.26Å; L408-V487 WeakPolarHBondContact CD2-O 3.4Å; L408-L489 HydrophobicContact CB-CD2 4.15Å; L408-L489 HydrophobicContact CB-CG 4.34Å; L408-L489 HydrophobicContact CD1-CD2 3.83Å; L408-L489 HydrophobicContact CD1-CG 4.43Å
409	L	96.3	Very high	92.9	Very high	28 Å²	28	64 Å²	64	15%	0.147	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-29.1	177.1	-71.1	179.6	0	0	0	113.6	F405 K406 A407 N440 L489 H526 P527	F405-L409 HydrophobicContact CD1-CD1 4.24Å; F405-L409 HydrophobicContact CE1-CD1 3.54Å; F405-L409 HydrophobicContact CE1-CG 4.37Å; F405-L409 HydrophobicContact CE2-CD1 4.23Å; F405-L409 HydrophobicContact CE2-CD2 4.46Å; F405-L409 HydrophobicContact CE2-CG 4.29Å; F405-L409 HydrophobicContact CZ-CD1 3.52Å; F405-L409 HydrophobicContact CZ-CD2 4.36Å; F405-L409 HydrophobicContact CZ-CG 4.07Å; F405-L409 PolarHBondContact O-N 3.13Å; F405-L409 VanDerWaalsContact O-N 3.14Å; K406-L409 PolarHBondContact O-N 3.13Å; A407-L409 PolarHBondContact O-N 2.72Å; L409-N440 HydrophobicContact CD2-CB 4.37Å; L409-N440 PolarHBondContact O-ND2 3.15Å; L409-L489 HydrophobicContact CD2-CD1 3.74Å; L409-H526 VanDerWaalsContact CD2-NE2 3.34Å; L409-H526 WeakPolarHBondContact CD2-NE2 3.26Å; L409-P527 HydrophobicContact CD1-CG 3.92Å
410	I	95.1	Very high	92.5	Very high	149 Å²	149	62.8 Å²	62.8	76%	0.764	31%	0.309	S	S	*	.	H	α-helix	trans	-81.4	-28.8	177	-62.4	164.8	0	0	0	110.6	K406 A407 L408 K412	K406-I410 WeakPolarHBondContact O-CG1 3.47Å; K406-I410 PolarHBondContact O-N 3.06Å; A407-I410 PolarHBondContact O-N 2.88Å; L408-I410 VanDerWaalsContact C-N 3.28Å; L408-I410 PolarHBondContact O-N 2.73Å; I410-K412 PolarHBondContact O-N 2.71Å
411	C	93.5	Very high	92	Very high	36 Å²	36	65 Å²	65	24%	0.243	32%	0.319	C	S	.	.	S	Bend	trans	-66.1	130.9	177.2	-170.3	0	0	0	0	110.6	A407 L408 G443	A407-C411 PolarHBondContact O-N 2.69Å; L408-C411 WeakPolarHBondContact O-CB 3.38Å; L408-C411 PolarHBondContact O-N 3.08Å; C411-G443 WeakPolarHBondContact O-CA 3.21Å; C411-G443 PolarHBondContact O-N 3.04Å
412	K	91.3	Very high	91.3	Very high	163 Å²	163	71.5 Å²	71.5	71%	0.709	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-66.4	130.6	-178.4	-170	173	-177.1	173.9	0	110.5	I410 L429	I410-K412 PolarHBondContact O-N 2.71Å; K412-L429 HydrophobicContact CG-CD1 4.18Å
413	P	92.8	Very high	90.8	Very high	13 Å²	13	69.7 Å²	69.7	8%	0.084	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.2	148.9	176.2	-25	34.6	0	0	0	113.5	K415 L418 L429 P441	P413-K415 PolarHBondContact O-N 2.89Å; P413-K415 VanDerWaalsContact O-N 3.13Å; P413-L418 HydrophobicContact CB-CD1 3.78Å; P413-L429 HydrophobicContact CB-CB 4.17Å; P413-L429 HydrophobicContact CB-CD1 4.42Å; P413-L429 HydrophobicContact CG-CB 4.17Å; P413-L429 WeakPolarHBondContact O-CD1 3.29Å; P413-P441 HydrophobicContact CB-CG 3.96Å; P413-P441 HydrophobicContact CG-CG 3.79Å
414	D	90.5	Very high	90.4	Very high	90 Å²	90	70.9 Å²	70.9	48%	0.481	35%	0.349	S	S	.	.			trans	-72.9	103.9	172.3	-177.7	-20.1	0	0	0	110	Y416 H417 L418	D414-Y416 VanDerWaalsContact C-N 3.3Å; D414-Y416 PolarHBondContact O-N 3.23Å; D414-Y416 PolarHBondContact OD1-N 3.39Å; D414-H417 HydrophobicContact CB-CB 3.88Å; D414-H417 PolarHBondContact O-N 3.18Å; D414-H417 PolarHBondContact OD1-N 3.41Å; D414-H417 VanDerWaalsContact OD1-N 3.14Å; D414-L418 WeakPolarHBondContact O-CG 3.22Å; D414-L418 PolarHBondContact O-N 2.85Å; D414-L418 VanDerWaalsContact O-N 3.1Å
415	K	89.3	Confident	90.1	Very high	108 Å²	108	73.1 Å²	73.1	47%	0.47	36%	0.36	S	S	.	.	H	α-helix	trans	-55.7	-42.1	-179.8	-178.6	175.2	179.1	176.5	0	112.7	P413 L418 Q419 L429	P413-K415 PolarHBondContact O-N 2.89Å; P413-K415 VanDerWaalsContact O-N 3.13Å; K415-L418 PolarHBondContact O-N 3.22Å; K415-Q419 VanDerWaalsContact CE-NE2 3.35Å; K415-Q419 HydrophobicContact CG-CG 4.35Å; K415-Q419 WeakPolarHBondContact O-CB 3.37Å; K415-Q419 VanDerWaalsContact O-CG 3.26Å; K415-Q419 WeakPolarHBondContact O-CG 3.38Å; K415-Q419 PolarHBondContact O-N 3.48Å; K415-L429 HydrophobicContact CB-CD1 4.02Å; K415-L429 HydrophobicContact CB-CD2 4.09Å; K415-L429 HydrophobicContact CD-CD2 4.16Å; K415-L429 HydrophobicContact CG-CD2 3.89Å
416	Y	88.9	Confident	89.9	Confident	191 Å²	191	73.9 Å²	73.9	75%	0.749	37%	0.366	S	S	*	.	H	α-helix	trans	-69	-40.7	-176.9	-67.1	-77	0	0	0	111	D414 L418 Q419 S420	D414-Y416 VanDerWaalsContact C-N 3.3Å; D414-Y416 PolarHBondContact O-N 3.23Å; D414-Y416 PolarHBondContact OD1-N 3.39Å; Y416-L418 VanDerWaalsContact C-N 3.34Å; Y416-L418 PolarHBondContact O-N 3.1Å; Y416-Q419 PolarHBondContact O-N 3.03Å; Y416-S420 PolarHBondContact O-N 2.91Å; Y416-S420 VanDerWaalsContact O-N 3.12Å
417	H	86.2	Confident	89.6	Confident	76 Å²	76	75.7 Å²	75.7	35%	0.352	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-41.9	175.1	-177.3	67.6	0	0	0	112.3	D414 S420 H421	D414-H417 HydrophobicContact CB-CB 3.88Å; D414-H417 PolarHBondContact O-N 3.18Å; D414-H417 PolarHBondContact OD1-N 3.41Å; D414-H417 VanDerWaalsContact OD1-N 3.14Å; H417-S420 PolarHBondContact O-OG 3.27Å; H417-H421 AromaticContact CE1-CE1 3.51Å; H417-H421 AromaticContact ND1-CE1 3.91Å; H417-H421 AromaticContact NE2-CE1 3.92Å; H417-H421 PolarHBondContact O-CE1 3.49Å; H417-H421 PolarHBondContact O-ND1 3.41Å
418	L	87.8	Confident	89.3	Confident	5 Å²	5	79.2 Å²	79.2	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-68.5	-41.9	178.3	-64.2	178.6	0	0	0	112.1	P413 D414 K415 Y416 S420 H421 L423 L425 L429 V431 P441 W491	P413-L418 HydrophobicContact CB-CD1 3.78Å; D414-L418 WeakPolarHBondContact O-CG 3.22Å; D414-L418 PolarHBondContact O-N 2.85Å; D414-L418 VanDerWaalsContact O-N 3.1Å; K415-L418 PolarHBondContact O-N 3.22Å; Y416-L418 VanDerWaalsContact C-N 3.34Å; Y416-L418 PolarHBondContact O-N 3.1Å; L418-S420 VanDerWaalsContact C-N 3.27Å; L418-S420 PolarHBondContact O-N 2.84Å; L418-H421 PolarHBondContact O-N 2.72Å; L418-L423 HydrophobicContact CD2-CD1 4.28Å; L418-L425 HydrophobicContact CB-CD1 3.76Å; L418-L425 HydrophobicContact CB-CD2 3.93Å; L418-L425 HydrophobicContact CB-CG 4.5Å; L418-L425 HydrophobicContact CD1-CD1 4.45Å; L418-L425 HydrophobicContact CD1-CD2 3.99Å; L418-L425 HydrophobicContact CG-CD2 4.49Å; L418-L429 HydrophobicContact CD1-CB 4.24Å; L418-V431 HydrophobicContact CD1-CG2 4.5Å; L418-V431 HydrophobicContact CD2-CG2 4.11Å; L418-P441 HydrophobicContact CD1-CG 4.08Å; L418-P441 HydrophobicContact CD2-CB 4.46Å; L418-P441 HydrophobicContact CD2-CG 4.2Å; L418-W491 HydrophobicContact CD2-CH2 3.83Å; L418-W491 HydrophobicContact CD2-CZ2 3.64Å
419	Q	84.8	Confident	89.1	Confident	95 Å²	95	79.9 Å²	79.9	44%	0.444	40%	0.401	S	S	.	.	H	α-helix	trans	-64.9	-29.8	-179.8	-74.5	179.4	-38.6	0	0	112.7	K415 Y416 H421 N422 L425	K415-Q419 VanDerWaalsContact CE-NE2 3.35Å; K415-Q419 HydrophobicContact CG-CG 4.35Å; K415-Q419 WeakPolarHBondContact O-CB 3.37Å; K415-Q419 VanDerWaalsContact O-CG 3.26Å; K415-Q419 WeakPolarHBondContact O-CG 3.38Å; K415-Q419 PolarHBondContact O-N 3.48Å; Y416-Q419 PolarHBondContact O-N 3.03Å; Q419-H421 PolarHBondContact O-N 3.34Å; Q419-H421 VanDerWaalsContact O-N 3.14Å; Q419-N422 PolarHBondContact O-N 2.94Å; Q419-L425 HydrophobicContact CG-CD1 3.91Å
420	S	85.8	Confident	89	Confident	84 Å²	84	81 Å²	81	59%	0.587	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.9	178.7	75.7	0	0	0	0	114.3	Y416 H417 L418	Y416-S420 PolarHBondContact O-N 2.91Å; Y416-S420 VanDerWaalsContact O-N 3.12Å; H417-S420 PolarHBondContact O-OG 3.27Å; L418-S420 VanDerWaalsContact C-N 3.27Å; L418-S420 PolarHBondContact O-N 2.84Å
421	H	80.7	Confident	88.8	Confident	50 Å²	50	74 Å²	74	23%	0.231	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	15.7	-178.4	-63.9	85.3	0	0	0	113.7	H417 L418 Q419 L423 P493	H417-H421 AromaticContact CE1-CE1 3.51Å; H417-H421 AromaticContact ND1-CE1 3.91Å; H417-H421 AromaticContact NE2-CE1 3.92Å; H417-H421 PolarHBondContact O-CE1 3.49Å; H417-H421 PolarHBondContact O-ND1 3.41Å; L418-H421 PolarHBondContact O-N 2.72Å; Q419-H421 PolarHBondContact O-N 3.34Å; Q419-H421 VanDerWaalsContact O-N 3.14Å; H421-L423 HydrophobicContact CB-CD1 4.08Å; H421-L423 HydrophobicContact CB-CG 3.94Å; H421-L423 PolarHBondContact O-N 3.34Å; H421-L423 VanDerWaalsContact O-N 3.14Å; H421-P493 HydrophobicContact CB-CB 3.78Å; H421-P493 VanDerWaalsContact CD2-CB 3.49Å; H421-P493 WeakPolarHBondContact CD2-CB 3.18Å
422	N	79.7	Confident	88.6	Confident	138 Å²	138	76.5 Å²	76.5	74%	0.738	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	33.4	179.9	-68.5	-21.2	0	0	0	114.3	Q419	Q419-N422 PolarHBondContact O-N 2.94Å
423	L	83.6	Confident	88.4	Confident	21 Å²	21	69 Å²	69	11%	0.11	34%	0.341	C	S	.	.			trans	-81.4	150.7	179.6	-61.9	172.4	0	0	0	111.5	L418 H421 L425 V431 W491 P493 M496 A497	L418-L423 HydrophobicContact CD2-CD1 4.28Å; H421-L423 HydrophobicContact CB-CD1 4.08Å; H421-L423 HydrophobicContact CB-CG 3.94Å; H421-L423 PolarHBondContact O-N 3.34Å; H421-L423 VanDerWaalsContact O-N 3.14Å; L423-L425 HydrophobicContact CB-CD2 4.07Å; L423-V431 HydrophobicContact CB-CG1 4.28Å; L423-V431 HydrophobicContact CD1-CG1 4.06Å; L423-V431 HydrophobicContact CD1-CG2 4.19Å; L423-V431 HydrophobicContact CD2-CG1 4.13Å; L423-V431 HydrophobicContact CG-CG1 4.4Å; L423-W491 HydrophobicContact CD1-CH2 3.58Å; L423-W491 HydrophobicContact CD1-CZ3 4.03Å; L423-P493 HydrophobicContact CD1-CB 4.3Å; L423-M496 HydrophobicContact CD2-CB 4.22Å; L423-A497 HydrophobicContact CD2-CB 4.37Å
424	M	87.6	Confident	88	Confident	78 Å²	78	71.4 Å²	71.4	38%	0.384	35%	0.353	S	S	.	.			trans	-83	125.1	166.4	-66.8	-170.2	72.4	0	0	109.5	R432 K498	M424-R432 HydrophobicContact CB-CB 3.85Å; M424-R432 PolarHBondContact O-N 3Å; M424-K498 VanDerWaalsContact CG-CE 3.41Å; M424-K498 VanDerWaalsContact SD-CE 3.52Å
425	L	90.4	Very high	87.8	Confident	46 Å²	46	70.4 Å²	70.4	24%	0.241	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-117.7	141.7	-175.9	-54.3	178	0	0	0	110.6	L418 Q419 L423 K430 V431	L418-L425 HydrophobicContact CB-CD1 3.76Å; L418-L425 HydrophobicContact CB-CD2 3.93Å; L418-L425 HydrophobicContact CB-CG 4.5Å; L418-L425 HydrophobicContact CD1-CD1 4.45Å; L418-L425 HydrophobicContact CD1-CD2 3.99Å; L418-L425 HydrophobicContact CG-CD2 4.49Å; Q419-L425 HydrophobicContact CG-CD1 3.91Å; L423-L425 HydrophobicContact CB-CD2 4.07Å; L425-K430 VanDerWaalsContact CA-O 3.3Å; L425-K430 WeakPolarHBondContact CA-O 3.22Å; L425-V431 HydrophobicContact CD2-CG2 3.92Å
426	S	92.3	Very high	87.7	Confident	21 Å²	21	70.1 Å²	70.1	15%	0.147	35%	0.351	C	S	.	.			trans	-80.6	173.3	165.5	59.8	0	0	0	0	111.1	D428 L429 K430 W438	S426-D428 VanDerWaalsContact CB-OD1 3.28Å; S426-D428 WeakPolarHBondContact CB-OD1 3.01Å; S426-D428 PolarHBondContact O-N 3.16Å; S426-D428 PolarHBondContact OG-OD1 3.23Å; S426-L429 PolarHBondContact O-N 2.56Å; S426-K430 PolarHBondContact N-O 2.75Å; S426-K430 WeakPolarHBondContact OG-CA 3.47Å; S426-K430 VanDerWaalsContact OG-CB 3.28Å; S426-K430 WeakPolarHBondContact OG-CB 3.4Å; S426-K430 PolarHBondContact OG-N 2.82Å; S426-K430 PolarHBondContact OG-O 3.02Å; S426-W438 VanDerWaalsContact N-CZ3 3.27Å
427	D	90	Very high	87.8	Confident	175 Å²	175	65.2 Å²	65.2	94%	0.936	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.6	177.6	-65.5	-30.2	0	0	0	113	L429	D427-L429 VanDerWaalsContact C-N 3.29Å; D427-L429 PolarHBondContact O-N 3.12Å
428	D	90.9	Very high	88.1	Confident	97 Å²	97	66.7 Å²	66.7	52%	0.519	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	13	174.8	67.5	-27.8	0	0	0	113.7	S426 K430	S426-D428 VanDerWaalsContact CB-OD1 3.28Å; S426-D428 WeakPolarHBondContact CB-OD1 3.01Å; S426-D428 PolarHBondContact O-N 3.16Å; S426-D428 PolarHBondContact OG-OD1 3.23Å; D428-K430 VanDerWaalsContact C-N 3.31Å; D428-K430 PolarHBondContact O-N 2.85Å; D428-K430 WeakPolarHBondContact OD2-CD 3.27Å; D428-K430 WeakPolarHBondContact OD2-CE 3.41Å
429	L	93.5	Very high	88.4	Confident	13 Å²	13	66.5 Å²	66.5	7%	0.068	33%	0.333	C	S	.	.			trans	64.9	25.7	177.5	-51.9	175.6	0	0	0	114.9	K412 P413 K415 L418 S426 D427	K412-L429 HydrophobicContact CG-CD1 4.18Å; P413-L429 HydrophobicContact CB-CB 4.17Å; P413-L429 HydrophobicContact CB-CD1 4.42Å; P413-L429 HydrophobicContact CG-CB 4.17Å; P413-L429 WeakPolarHBondContact O-CD1 3.29Å; K415-L429 HydrophobicContact CB-CD1 4.02Å; K415-L429 HydrophobicContact CB-CD2 4.09Å; K415-L429 HydrophobicContact CD-CD2 4.16Å; K415-L429 HydrophobicContact CG-CD2 3.89Å; L418-L429 HydrophobicContact CD1-CB 4.24Å; S426-L429 PolarHBondContact O-N 2.56Å; D427-L429 VanDerWaalsContact C-N 3.29Å; D427-L429 PolarHBondContact O-N 3.12Å
430	K	93.5	Very high	89	Confident	53 Å²	53	63.2 Å²	63.2	23%	0.23	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-73.6	147	165.4	-61.5	-177	175	-170.5	0	110.1	L425 S426 D428 W438 W439 N440	L425-K430 VanDerWaalsContact CA-O 3.3Å; L425-K430 WeakPolarHBondContact CA-O 3.22Å; S426-K430 PolarHBondContact N-O 2.75Å; S426-K430 WeakPolarHBondContact OG-CA 3.47Å; S426-K430 VanDerWaalsContact OG-CB 3.28Å; S426-K430 WeakPolarHBondContact OG-CB 3.4Å; S426-K430 PolarHBondContact OG-N 2.82Å; S426-K430 PolarHBondContact OG-O 3.02Å; D428-K430 VanDerWaalsContact C-N 3.31Å; D428-K430 PolarHBondContact O-N 2.85Å; D428-K430 WeakPolarHBondContact OD2-CD 3.27Å; D428-K430 WeakPolarHBondContact OD2-CE 3.41Å; K430-W438 HydrophobicContact CB-CB 4.01Å; K430-W438 HydrophobicContact CB-CE3 4.23Å; K430-W438 HydrophobicContact CD-CB 3.89Å; K430-W439 WeakPolarHBondContact CA-O 3.28Å; K430-N440 HydrophobicContact CG-CB 4.4Å
431	V	91.3	Very high	89.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.7	179.7	-178.7	0	0	0	0	108.8	L418 L423 L425 T433 W439 P441 W491 M496	L418-V431 HydrophobicContact CD1-CG2 4.5Å; L418-V431 HydrophobicContact CD2-CG2 4.11Å; L423-V431 HydrophobicContact CB-CG1 4.28Å; L423-V431 HydrophobicContact CD1-CG1 4.06Å; L423-V431 HydrophobicContact CD1-CG2 4.19Å; L423-V431 HydrophobicContact CD2-CG1 4.13Å; L423-V431 HydrophobicContact CG-CG1 4.4Å; L425-V431 HydrophobicContact CD2-CG2 3.92Å; V431-T433 PolarHBondContact O-N 2.86Å; V431-W439 PolarHBondContact N-O 3.38Å; V431-W439 PolarHBondContact O-N 2.83Å; V431-P441 HydrophobicContact CG2-CB 4.28Å; V431-P441 HydrophobicContact CG2-CG 4Å; V431-W491 HydrophobicContact CG1-CZ3 4.46Å; V431-W491 HydrophobicContact CG2-CH2 3.89Å; V431-W491 HydrophobicContact CG2-CZ2 4.45Å; V431-M496 HydrophobicContact CB-CE 4.38Å; V431-M496 HydrophobicContact CG1-CE 3.89Å; V431-M496 HydrophobicContact CG1-SD 4.36Å
432	R	90.2	Very high	90.1	Very high	89 Å²	89	57.4 Å²	57.4	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.3	172.5	-161.3	176.8	176.4	175	0.2	109.7	M424 N436 R437 W438	M424-R432 HydrophobicContact CB-CB 3.85Å; M424-R432 PolarHBondContact O-N 3Å; R432-N436 PolarHBondContact NE-OD1 3.49Å; R432-N436 PolarHBondContact NH2-OD1 3.13Å; R432-R437 CarbonylContact C-O 3.58Å; R432-R437 WeakPolarHBondContact CA-O 3.24Å; R432-W438 HydrophobicContact CB-CE3 3.96Å; R432-W438 HydrophobicContact CB-CH2 4.08Å; R432-W438 HydrophobicContact CB-CZ3 3.6Å; R432-W438 HydrophobicContact CG-CH2 4.47Å; R432-W438 HydrophobicContact CG-CZ3 4.33Å
433	T	87.5	Confident	90.8	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.031	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-76.2	167.8	174.8	62.1	0	0	0	0	111.3	V431 D435 N436 R437 W439 M496	V431-T433 PolarHBondContact O-N 2.86Å; T433-D435 VanDerWaalsContact C-N 3.25Å; T433-D435 WeakPolarHBondContact CB-OD1 3.28Å; T433-D435 PolarHBondContact O-N 3.01Å; T433-D435 PolarHBondContact OG1-OD1 2.49Å; T433-N436 PolarHBondContact O-N 3Å; T433-R437 HydrophobicContact CG2-CB 4.5Å; T433-R437 PolarHBondContact N-O 3.4Å; T433-R437 WeakPolarHBondContact OG1-CA 3.37Å; T433-R437 WeakPolarHBondContact OG1-CB 3.49Å; T433-R437 PolarHBondContact OG1-N 3.36Å; T433-R437 PolarHBondContact OG1-O 2.94Å; T433-R437 VanDerWaalsContact OG1-O 3.09Å; T433-W439 HydrophobicContact CG2-CB 3.54Å; T433-W439 HydrophobicContact CG2-CG 4.29Å; T433-M496 HydrophobicContact CG2-CE 3.61Å
434	L	83.9	Confident	91.4	Very high	65 Å²	65	52.7 Å²	52.7	34%	0.34	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.4	177.5	-70.7	171	0	0	0	113.4	N436 L536	L434-N436 PolarHBondContact O-N 2.95Å; L434-L536 HydrophobicContact CD1-CD1 3.27Å
435	D	85.5	Confident	91.9	Very high	68 Å²	68	49.9 Å²	49.9	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	20.1	173.2	61.4	-9.7	0	0	0	112.8	T433 R437 T533	T433-D435 VanDerWaalsContact C-N 3.25Å; T433-D435 WeakPolarHBondContact CB-OD1 3.28Å; T433-D435 PolarHBondContact O-N 3.01Å; T433-D435 PolarHBondContact OG1-OD1 2.49Å; D435-R437 VanDerWaalsContact C-N 3.3Å; D435-R437 PolarHBondContact O-N 3.39Å; D435-R437 IonicContact OD1-CZ 3.38Å; D435-R437 IonicContact OD1-NE 3.19Å; D435-R437 PolarHBondContact OD1-NE 3.3Å; D435-R437 IonicContact OD1-NH2 3.92Å; D435-R437 PolarHBondContact OD1-NH2 2.91Å; D435-R437 IonicContact OD2-CZ 2.72Å; D435-R437 VanDerWaalsContact OD2-CZ 3.25Å; D435-R437 IonicContact OD2-NE 2.89Å; D435-R437 PolarHBondContact OD2-NE 2.92Å; D435-R437 IonicContact OD2-NH2 3.59Å; D435-R437 PolarHBondContact OD2-NH2 3.42Å; D435-T533 HydrophobicContact CB-CG2 4.34Å
436	N	87.3	Confident	92.1	Very high	102 Å²	102	50.2 Å²	50.2	55%	0.545	25%	0.252	S	S	.	.	S	Bend	trans	65.5	19.2	173	-64.5	-60.8	0	0	0	116.5	R432 T433 L434	R432-N436 PolarHBondContact NE-OD1 3.49Å; R432-N436 PolarHBondContact NH2-OD1 3.13Å; T433-N436 PolarHBondContact O-N 3Å; L434-N436 PolarHBondContact O-N 2.95Å
437	R	90.9	Very high	92.1	Very high	88 Å²	88	50.5 Å²	50.5	33%	0.332	25%	0.252	S	S	.	.			trans	-89	154.3	173.9	-59.5	-179	-67	106.9	5.9	110.5	R432 T433 D435 D528 C530	R432-R437 CarbonylContact C-O 3.58Å; R432-R437 WeakPolarHBondContact CA-O 3.24Å; T433-R437 HydrophobicContact CG2-CB 4.5Å; T433-R437 PolarHBondContact N-O 3.4Å; T433-R437 WeakPolarHBondContact OG1-CA 3.37Å; T433-R437 WeakPolarHBondContact OG1-CB 3.49Å; T433-R437 PolarHBondContact OG1-N 3.36Å; T433-R437 PolarHBondContact OG1-O 2.94Å; T433-R437 VanDerWaalsContact OG1-O 3.09Å; D435-R437 VanDerWaalsContact C-N 3.3Å; D435-R437 PolarHBondContact O-N 3.39Å; D435-R437 IonicContact OD1-CZ 3.38Å; D435-R437 IonicContact OD1-NE 3.19Å; D435-R437 PolarHBondContact OD1-NE 3.3Å; D435-R437 IonicContact OD1-NH2 3.92Å; D435-R437 PolarHBondContact OD1-NH2 2.91Å; D435-R437 IonicContact OD2-CZ 2.72Å; D435-R437 VanDerWaalsContact OD2-CZ 3.25Å; D435-R437 IonicContact OD2-NE 2.89Å; D435-R437 PolarHBondContact OD2-NE 2.92Å; D435-R437 IonicContact OD2-NH2 3.59Å; D435-R437 PolarHBondContact OD2-NH2 3.42Å; R437-D528 PolarHBondContact NH1-O 3.18Å; R437-C530 PolarHBondContact NH2-O 3.42Å; R437-C530 VanDerWaalsContact NH2-O 3.16Å
438	W	93.3	Very high	92.2	Very high	108 Å²	108	45.7 Å²	45.7	41%	0.409	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.5	170.6	-68.1	115.8	0	0	0	109.6	S426 K430 R432	S426-W438 VanDerWaalsContact N-CZ3 3.27Å; K430-W438 HydrophobicContact CB-CB 4.01Å; K430-W438 HydrophobicContact CB-CE3 4.23Å; K430-W438 HydrophobicContact CD-CB 3.89Å; R432-W438 HydrophobicContact CB-CE3 3.96Å; R432-W438 HydrophobicContact CB-CH2 4.08Å; R432-W438 HydrophobicContact CB-CZ3 3.6Å; R432-W438 HydrophobicContact CG-CH2 4.47Å; R432-W438 HydrophobicContact CG-CZ3 4.33Å
439	W	94.8	Very high	92.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.5	-176.6	-172.8	84.9	0	0	0	111	K430 V431 T433 P441 W491 M496 H526 D528 G529 P531	K430-W439 WeakPolarHBondContact CA-O 3.28Å; V431-W439 PolarHBondContact N-O 3.38Å; V431-W439 PolarHBondContact O-N 2.83Å; T433-W439 HydrophobicContact CG2-CB 3.54Å; T433-W439 HydrophobicContact CG2-CG 4.29Å; W439-P441 HydrophobicContact CE3-CB 4.22Å; W439-P441 HydrophobicContact CZ3-CB 3.83Å; W439-P441 VanDerWaalsContact O-CD 3.25Å; W439-P441 WeakPolarHBondContact O-CD 3.37Å; W439-W491 HydrophobicContact CH2-CB 4.11Å; W439-W491 AromaticContact CH2-CD1 3.9Å; W439-W491 HydrophobicContact CH2-CD2 4.48Å; W439-W491 AromaticContact CH2-CG 3.92Å; W439-W491 HydrophobicContact CH2-CG 3.92Å; W439-W491 HydrophobicContact CZ3-CB 4.29Å; W439-W491 AromaticContact CZ3-CD1 3.89Å; W439-W491 AromaticContact CZ3-CD2 3.87Å; W439-W491 HydrophobicContact CZ3-CD2 3.87Å; W439-W491 HydrophobicContact CZ3-CE3 4.4Å; W439-W491 AromaticContact CZ3-CG 3.78Å; W439-W491 HydrophobicContact CZ3-CG 3.78Å; W439-M496 HydrophobicContact CE3-CE 4.38Å; W439-H526 AromaticContact CD1-CE1 3.78Å; W439-H526 AromaticContact CD1-ND1 3.86Å; W439-H526 AromaticContact CE2-CE1 3.67Å; W439-H526 AromaticContact CE2-NE2 3.67Å; W439-H526 AromaticContact CZ2-CD2 3.84Å; W439-H526 AromaticContact CZ2-NE2 3.69Å; W439-H526 AromaticContact NE1-CD2 3.96Å; W439-H526 AromaticContact NE1-CE1 3.32Å; W439-H526 PolarHBondContact NE1-CE1 3.02Å; W439-H526 VanDerWaalsContact NE1-CE1 3.32Å; W439-H526 AromaticContact NE1-CG 3.75Å; W439-H526 AromaticContact NE1-ND1 3.31Å; W439-H526 PolarHBondContact NE1-ND1 2.92Å; W439-H526 AromaticContact NE1-NE2 3.73Å; W439-D528 HydrophobicContact CB-CB 4.48Å; W439-D528 HydrophobicContact CG-CB 4.31Å; W439-G529 PolarHBondContact NE1-O 3.33Å; W439-P531 HydrophobicContact CD2-CB 3.74Å; W439-P531 HydrophobicContact CE3-CB 3.93Å; W439-P531 HydrophobicContact CG-CB 4.3Å; W439-P531 HydrophobicContact CH2-CB 4.06Å; W439-P531 HydrophobicContact CH2-CG 4Å; W439-P531 HydrophobicContact CZ2-CB 3.88Å; W439-P531 HydrophobicContact CZ2-CG 3.73Å; W439-P531 HydrophobicContact CZ3-CB 4.04Å; W439-P531 HydrophobicContact CZ3-CG 4.46Å
440	N	95.5	Very high	92.5	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.144	22%	0.222	C	C	.	.			trans	-75.2	112.9	177.7	-177.3	1.3	0	0	0	111.4	L409 K430 G442 H526 D528	L409-N440 HydrophobicContact CD2-CB 4.37Å; L409-N440 PolarHBondContact O-ND2 3.15Å; K430-N440 HydrophobicContact CG-CB 4.4Å; N440-G442 PolarHBondContact O-N 2.82Å; N440-G442 PolarHBondContact OD1-N 3.13Å; N440-H526 PolarHBondContact O-CE1 2.87Å; N440-H526 PolarHBondContact O-NE2 3.32Å; N440-D528 WeakPolarHBondContact CB-OD2 3.29Å; N440-D528 PolarHBondContact N-OD2 3.37Å
441	P	94.5	Very high	92.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.019	23%	0.225	C	C	.	.			trans	-75.4	-9.7	179.2	33.7	-37.2	0	0	0	114.5	P413 L418 V431 W439 W491	P413-P441 HydrophobicContact CB-CG 3.96Å; P413-P441 HydrophobicContact CG-CG 3.79Å; L418-P441 HydrophobicContact CD1-CG 4.08Å; L418-P441 HydrophobicContact CD2-CB 4.46Å; L418-P441 HydrophobicContact CD2-CG 4.2Å; V431-P441 HydrophobicContact CG2-CB 4.28Å; V431-P441 HydrophobicContact CG2-CG 4Å; W439-P441 HydrophobicContact CE3-CB 4.22Å; W439-P441 HydrophobicContact CZ3-CB 3.83Å; W439-P441 VanDerWaalsContact O-CD 3.25Å; W439-P441 WeakPolarHBondContact O-CD 3.37Å; P441-W491 HydrophobicContact CB-CH2 4.45Å; P441-W491 HydrophobicContact CB-CZ2 3.59Å
442	G	95.6	Very high	92.5	Very high	8 Å²	8	50.6 Å²	50.6	8%	0.082	26%	0.257	C	S	.	.			trans	67.5	166.7	-170.8	0	0	0	0	0	113.2	L408 N440	L408-G442 CarbonylContact O-C 3.52Å; L408-G442 WeakPolarHBondContact O-CA 3.43Å; N440-G442 PolarHBondContact O-N 2.82Å; N440-G442 PolarHBondContact OD1-N 3.13Å
443	G	95.5	Very high	92.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	26%	0.259	C	S	.	.			trans	-89.1	-156.4	174.1	0	0	0	0	0	112.9	L408 C411	L408-G443 WeakPolarHBondContact CD2-O 3.16Å; L408-G443 PolarHBondContact O-N 3.26Å; C411-G443 WeakPolarHBondContact O-CA 3.21Å; C411-G443 PolarHBondContact O-N 3.04Å
444	T	96	Very high	92.8	Very high	59 Å²	59	50.1 Å²	50.1	36%	0.362	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.5	179.2	-63.8	0	0	0	0	109.3	T486	T444-T486 VanDerWaalsContact CG2-CB 3.5Å; T444-T486 HydrophobicContact CG2-CG2 3.94Å
445	L	96.7	Very high	93.1	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.5	172.7	-67.6	173	0	0	0	110.1	A407 L408 E449 L453 T486 V487	A407-L445 HydrophobicContact CB-CD1 3.77Å; L408-L445 HydrophobicContact CD2-CB 4.03Å; L408-L445 HydrophobicContact CD2-CD1 3.94Å; L408-L445 HydrophobicContact CD2-CG 3.76Å; L408-L445 HydrophobicContact CG-CD1 4.12Å; L408-L445 HydrophobicContact CG-CG 4.48Å; L445-E449 HydrophobicContact CB-CB 4.42Å; L445-E449 HydrophobicContact CD2-CB 4.19Å; L445-L453 HydrophobicContact CD1-CD1 4.12Å; L445-T486 CarbonylContact O-C 3.57Å; L445-T486 VanDerWaalsContact O-CA 3.25Å; L445-T486 WeakPolarHBondContact O-CA 3.31Å; L445-V487 PolarHBondContact N-O 2.7Å; L445-V487 PolarHBondContact O-N 2.65Å
446	T	95.8	Very high	93.3	Very high	53 Å²	53	52.8 Å²	52.8	33%	0.325	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	157.6	167	66.5	0	0	0	0	110.7	S448 E449 C450 N485	T446-S448 PolarHBondContact O-N 3.25Å; T446-E449 VanDerWaalsContact CB-OE2 3.31Å; T446-E449 WeakPolarHBondContact CB-OE2 3.49Å; T446-E449 WeakPolarHBondContact CG2-OE2 3.38Å; T446-E449 PolarHBondContact N-OE2 2.75Å; T446-E449 PolarHBondContact O-N 2.93Å; T446-E449 VanDerWaalsContact OG1-CG 3.32Å; T446-E449 WeakPolarHBondContact OG1-CG 3.43Å; T446-E449 PolarHBondContact OG1-N 3.11Å; T446-E449 VanDerWaalsContact OG1-N 3.17Å; T446-E449 PolarHBondContact OG1-OE2 3.02Å; T446-C450 PolarHBondContact O-N 2.92Å; T446-C450 PolarHBondContact O-SG 3.16Å; T446-C450 VanDerWaalsContact O-SG 3.35Å; T446-N485 CarbonylContact C-O 3.54Å; T446-N485 WeakPolarHBondContact CA-O 3.49Å
447	L	91.6	Very high	93.3	Very high	27 Å²	27	53.4 Å²	53.4	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-24.5	172.5	-73.5	171.1	0	0	0	112.9	S451 Q470 L473 N485 V487	L447-S451 WeakPolarHBondContact O-CB 3.24Å; L447-S451 PolarHBondContact O-N 2.82Å; L447-S451 VanDerWaalsContact O-N 3.08Å; L447-S451 PolarHBondContact O-OG 3.49Å; L447-Q470 HydrophobicContact CD1-CB 4.01Å; L447-Q470 HydrophobicContact CD1-CG 3.79Å; L447-Q470 HydrophobicContact CD2-CB 3.87Å; L447-Q470 HydrophobicContact CD2-CG 4.03Å; L447-L473 HydrophobicContact CD2-CD1 4.38Å; L447-N485 WeakPolarHBondContact CG-O 3.39Å; L447-N485 PolarHBondContact N-O 2.95Å; L447-V487 HydrophobicContact CD2-CG2 3.64Å; L447-V487 HydrophobicContact CG-CG2 4.29Å
448	S	92.8	Very high	93.1	Very high	74 Å²	74	50 Å²	50	52%	0.517	27%	0.27	S	S	.	.	H	α-helix	trans	-68.4	-53.2	174.1	-164	0	0	0	0	110.4	T446 C450 S451 E452	T446-S448 PolarHBondContact O-N 3.25Å; S448-C450 VanDerWaalsContact C-N 3.31Å; S448-C450 PolarHBondContact O-N 2.89Å; S448-S451 WeakPolarHBondContact O-CA 3.42Å; S448-S451 VanDerWaalsContact O-CB 3.31Å; S448-S451 WeakPolarHBondContact O-CB 3.5Å; S448-S451 PolarHBondContact O-N 2.89Å; S448-E452 PolarHBondContact O-N 3.14Å; S448-E452 VanDerWaalsContact O-N 3.08Å
449	E	95.2	Very high	92.8	Very high	81 Å²	81	46.3 Å²	46.3	38%	0.379	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-43.3	177	-68.9	159.7	136	0	0	110.9	L445 T446 S451 E452 L453	L445-E449 HydrophobicContact CB-CB 4.42Å; L445-E449 HydrophobicContact CD2-CB 4.19Å; T446-E449 VanDerWaalsContact CB-OE2 3.31Å; T446-E449 WeakPolarHBondContact CB-OE2 3.49Å; T446-E449 WeakPolarHBondContact CG2-OE2 3.38Å; T446-E449 PolarHBondContact N-OE2 2.75Å; T446-E449 PolarHBondContact O-N 2.93Å; T446-E449 VanDerWaalsContact OG1-CG 3.32Å; T446-E449 WeakPolarHBondContact OG1-CG 3.43Å; T446-E449 PolarHBondContact OG1-N 3.11Å; T446-E449 VanDerWaalsContact OG1-N 3.17Å; T446-E449 PolarHBondContact OG1-OE2 3.02Å; E449-S451 PolarHBondContact O-N 3.34Å; E449-E452 PolarHBondContact O-N 2.97Å; E449-L453 WeakPolarHBondContact O-CG 3.29Å; E449-L453 PolarHBondContact O-N 2.8Å
450	C	94.4	Very high	92.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-34.1	173.6	-69.5	0	0	0	0	112.7	V404 T446 S448 L453 V454 L469 L473	V404-C450 HydrophobicContact CG2-CB 4.34Å; T446-C450 PolarHBondContact O-N 2.92Å; T446-C450 PolarHBondContact O-SG 3.16Å; T446-C450 VanDerWaalsContact O-SG 3.35Å; S448-C450 VanDerWaalsContact C-N 3.31Å; S448-C450 PolarHBondContact O-N 2.89Å; C450-L453 PolarHBondContact O-N 2.86Å; C450-V454 WeakPolarHBondContact O-CG2 3.45Å; C450-L469 VanDerWaalsContact C-CD2 3.48Å; C450-L469 HydrophobicContact CB-CD2 3.82Å; C450-L469 WeakPolarHBondContact O-CD2 3.37Å; C450-L473 HydrophobicContact CB-CD1 4.36Å
451	S	91.6	Very high	91.7	Very high	40 Å²	40	54.5 Å²	54.5	28%	0.28	30%	0.295	S	S	.	.	H	α-helix	trans	-72.6	-32.2	179.4	-60.7	0	0	0	0	112.3	L447 S448 E449 L453 V454	L447-S451 WeakPolarHBondContact O-CB 3.24Å; L447-S451 PolarHBondContact O-N 2.82Å; L447-S451 VanDerWaalsContact O-N 3.08Å; L447-S451 PolarHBondContact O-OG 3.49Å; S448-S451 WeakPolarHBondContact O-CA 3.42Å; S448-S451 VanDerWaalsContact O-CB 3.31Å; S448-S451 WeakPolarHBondContact O-CB 3.5Å; S448-S451 PolarHBondContact O-N 2.89Å; E449-S451 PolarHBondContact O-N 3.34Å; S451-L453 PolarHBondContact O-N 3.48Å; S451-V454 PolarHBondContact O-N 2.99Å
452	E	93.9	Very high	91.2	Very high	146 Å²	146	54.4 Å²	54.4	68%	0.682	29%	0.294	S	S	*	.	H	α-helix	trans	-68.5	-25.1	176	-68.6	163.7	-156.3	0	0	112.3	S448 E449 V454	S448-E452 PolarHBondContact O-N 3.14Å; S448-E452 VanDerWaalsContact O-N 3.08Å; E449-E452 PolarHBondContact O-N 2.97Å; E452-V454 VanDerWaalsContact C-N 3.32Å
453	L	93.2	Very high	90.3	Very high	70 Å²	70	61 Å²	61	37%	0.366	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.8	175.3	-61.4	173.8	0	0	0	113.8	T403 A407 L445 E449 C450 S451	T403-L453 HydrophobicContact CG2-CB 3.97Å; A407-L453 HydrophobicContact CB-CD1 3.31Å; A407-L453 HydrophobicContact CB-CD2 4.37Å; A407-L453 HydrophobicContact CB-CG 4.48Å; L445-L453 HydrophobicContact CD1-CD1 4.12Å; E449-L453 WeakPolarHBondContact O-CG 3.29Å; E449-L453 PolarHBondContact O-N 2.8Å; C450-L453 PolarHBondContact O-N 2.86Å; S451-L453 PolarHBondContact O-N 3.48Å
454	V	90.5	Very high	89.3	Confident	13 Å²	13	63.9 Å²	63.9	8%	0.079	34%	0.341	C	S	.	.	S	Bend	trans	-100.4	135.7	-174.7	-177.5	0	0	0	0	109.7	I400 C450 S451 E452 D458 M459 L469	I400-V454 HydrophobicContact CD1-CG1 4.11Å; I400-V454 HydrophobicContact CG1-CG1 4.03Å; I400-V454 HydrophobicContact CG2-CG2 3.89Å; C450-V454 WeakPolarHBondContact O-CG2 3.45Å; S451-V454 PolarHBondContact O-N 2.99Å; E452-V454 VanDerWaalsContact C-N 3.32Å; V454-D458 HydrophobicContact CG1-CB 3.61Å; V454-M459 HydrophobicContact CB-CG 3.91Å; V454-M459 HydrophobicContact CB-SD 3.97Å; V454-M459 HydrophobicContact CG1-CG 3.73Å; V454-M459 HydrophobicContact CG1-SD 3.9Å; V454-L469 HydrophobicContact CG2-CD1 4.01Å; V454-L469 HydrophobicContact CG2-CD2 4.12Å
455	S	91.3	Very high	88.2	Confident	49 Å²	49	62.5 Å²	62.5	34%	0.343	33%	0.33	S	S	.	.			trans	-58.9	149.2	179.1	78.9	0	0	0	0	111.6	D457 D458 M459	S455-D457 PolarHBondContact O-N 3.39Å; S455-D458 PolarHBondContact O-N 3.37Å; S455-D458 VanDerWaalsContact OG-CB 3.3Å; S455-D458 WeakPolarHBondContact OG-CB 3.44Å; S455-D458 PolarHBondContact OG-N 3.1Å; S455-D458 PolarHBondContact OG-OD2 3.14Å; S455-M459 WeakPolarHBondContact O-CG 3.34Å; S455-M459 PolarHBondContact O-N 3.29Å
456	L	88.2	Confident	86.5	Confident	140 Å²	140	68.7 Å²	68.7	73%	0.733	36%	0.358	S	S	*	.	H	α-helix	trans	-58.7	-34.9	179.6	-69.3	175	0	0	0	112.4	M459 K460	L456-M459 PolarHBondContact O-N 3.31Å; L456-K460 VanDerWaalsContact O-CG 3.31Å; L456-K460 WeakPolarHBondContact O-CG 3.38Å; L456-K460 PolarHBondContact O-N 2.92Å
457	D	88.3	Confident	84.9	Confident	115 Å²	115	66.4 Å²	66.4	62%	0.615	35%	0.345	S	S	*	.	H	α-helix	trans	-72	-42.8	179.2	-66.3	-28	0	0	0	111.9	S455 M459 K460 L461	S455-D457 PolarHBondContact O-N 3.39Å; D457-M459 VanDerWaalsContact C-N 3.29Å; D457-M459 PolarHBondContact O-N 3.33Å; D457-K460 PolarHBondContact O-N 3.36Å; D457-L461 WeakPolarHBondContact O-CB 3.31Å; D457-L461 PolarHBondContact O-N 2.85Å
458	D	87.3	Confident	84.3	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-61.1	-41.4	172.8	-69.4	-37.5	0	0	0	110.2	K399 I400 V454 S455 L461 L462	K399-D458 IonicContact NZ-OD2 2.72Å; K399-D458 PolarHBondContact NZ-OD2 3.47Å; I400-D458 HydrophobicContact CD1-CB 4.03Å; I400-D458 HydrophobicContact CG1-CB 4.43Å; V454-D458 HydrophobicContact CG1-CB 3.61Å; S455-D458 PolarHBondContact O-N 3.37Å; S455-D458 VanDerWaalsContact OG-CB 3.3Å; S455-D458 WeakPolarHBondContact OG-CB 3.44Å; S455-D458 PolarHBondContact OG-N 3.1Å; S455-D458 PolarHBondContact OG-OD2 3.14Å; D458-L461 PolarHBondContact O-N 2.84Å; D458-L462 WeakPolarHBondContact O-CG 3.08Å; D458-L462 PolarHBondContact O-N 2.85Å
459	M	85.1	Confident	84	Confident	31 Å²	31	63.7 Å²	63.7	15%	0.153	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-39.9	176	-75.4	-61.5	-76.5	0	0	113.2	V454 S455 L456 D457 L462 K463 L469	V454-M459 HydrophobicContact CB-CG 3.91Å; V454-M459 HydrophobicContact CB-SD 3.97Å; V454-M459 HydrophobicContact CG1-CG 3.73Å; V454-M459 HydrophobicContact CG1-SD 3.9Å; S455-M459 WeakPolarHBondContact O-CG 3.34Å; S455-M459 PolarHBondContact O-N 3.29Å; L456-M459 PolarHBondContact O-N 3.31Å; D457-M459 VanDerWaalsContact C-N 3.29Å; D457-M459 PolarHBondContact O-N 3.33Å; M459-L462 PolarHBondContact O-N 3.05Å; M459-L462 HydrophobicContact SD-CD1 4.46Å; M459-K463 WeakPolarHBondContact O-CG 3.38Å; M459-K463 PolarHBondContact O-N 3.09Å; M459-L469 HydrophobicContact SD-CB 4.24Å; M459-L469 HydrophobicContact SD-CD2 4.41Å
460	K	84.8	Confident	83.7	Confident	135 Å²	135	62.8 Å²	62.8	59%	0.587	33%	0.329	S	S	*	.	H	α-helix	trans	-64.2	-42.3	173.9	-76.9	172.1	-174.5	170.3	0	111.1	L456 D457 K463 S464	L456-K460 VanDerWaalsContact O-CG 3.31Å; L456-K460 WeakPolarHBondContact O-CG 3.38Å; L456-K460 PolarHBondContact O-N 2.92Å; D457-K460 PolarHBondContact O-N 3.36Å; K460-K463 PolarHBondContact O-N 2.75Å; K460-S464 PolarHBondContact O-N 2.88Å
461	L	84.1	Confident	83.2	Confident	63 Å²	63	65.5 Å²	65.5	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-44.1	176.7	178.4	61.4	0	0	0	111.7	V392 V396 D457 D458 S464 Q465	V392-L461 HydrophobicContact CG1-CD2 4.05Å; V392-L461 HydrophobicContact CG2-CG 4.47Å; V396-L461 HydrophobicContact CG1-CD2 4.3Å; D457-L461 WeakPolarHBondContact O-CB 3.31Å; D457-L461 PolarHBondContact O-N 2.85Å; D458-L461 PolarHBondContact O-N 2.84Å; L461-S464 PolarHBondContact O-N 2.83Å; L461-S464 PolarHBondContact O-OG 3.25Å; L461-Q465 HydrophobicContact CD1-CG 4.46Å; L461-Q465 WeakPolarHBondContact O-CG 3.26Å; L461-Q465 PolarHBondContact O-N 2.97Å
462	L	82.3	Confident	83	Confident	1 Å²	1	64 Å²	64	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-48.9	174.5	-70.9	-173.4	0	0	0	111.2	V392 L397 I400 D458 M459 S464 Q465 G467 L469 V472	V392-L462 HydrophobicContact CG2-CD2 4.26Å; L397-L462 HydrophobicContact CD2-CD2 4.31Å; I400-L462 HydrophobicContact CD1-CD1 3.89Å; I400-L462 HydrophobicContact CD1-CD2 4.41Å; I400-L462 HydrophobicContact CD1-CG 4.24Å; D458-L462 WeakPolarHBondContact O-CG 3.08Å; D458-L462 PolarHBondContact O-N 2.85Å; M459-L462 PolarHBondContact O-N 3.05Å; M459-L462 HydrophobicContact SD-CD1 4.46Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-S464 PolarHBondContact O-N 3.17Å; L462-Q465 PolarHBondContact O-N 3.17Å; L462-Q465 VanDerWaalsContact O-N 3.1Å; L462-G467 CarbonylContact C-O 3.6Å; L462-G467 WeakPolarHBondContact CB-O 3.17Å; L462-G467 PolarHBondContact O-N 3.01Å; L462-L469 HydrophobicContact CD1-CB 4.35Å; L462-L469 HydrophobicContact CD1-CD1 4.38Å; L462-V472 HydrophobicContact CD1-CG2 3.97Å; L462-V472 HydrophobicContact CD2-CG2 3.55Å; L462-V472 HydrophobicContact CG-CG2 4.41Å
463	K	76.8	Confident	82.8	Confident	148 Å²	148	57 Å²	57	64%	0.643	30%	0.302	S	S	*	.	H	α-helix	trans	-59.5	-39.6	177.9	-75.3	178.3	-179.5	178.2	0	112.8	M459 K460 Q465 H466	M459-K463 WeakPolarHBondContact O-CG 3.38Å; M459-K463 PolarHBondContact O-N 3.09Å; K460-K463 PolarHBondContact O-N 2.75Å; K463-Q465 VanDerWaalsContact C-N 3.25Å; K463-Q465 PolarHBondContact O-N 2.96Å; K463-H466 PolarHBondContact O-N 3.32Å
464	S	74.9	Confident	82.5	Confident	60 Å²	60	59.6 Å²	59.6	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-68.3	-26.1	178.7	75.2	0	0	0	0	112.7	K460 L461 L462 H466	K460-S464 PolarHBondContact O-N 2.88Å; L461-S464 PolarHBondContact O-N 2.83Å; L461-S464 PolarHBondContact O-OG 3.25Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-S464 PolarHBondContact O-N 3.17Å; S464-H466 VanDerWaalsContact C-N 3.29Å; S464-H466 PolarHBondContact O-N 2.89Å
465	Q	72.8	Confident	82.3	Confident	30 Å²	30	64 Å²	64	14%	0.14	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	18.5	175.6	-61.4	-56.9	-48.5	0	0	113.9	Y387 V392 L461 L462 K463 G467	Y387-Q465 CarbonylContact C-O 3.53Å; Y387-Q465 VanDerWaalsContact C-O 3.27Å; V392-Q465 HydrophobicContact CG2-CB 4.06Å; V392-Q465 HydrophobicContact CG2-CG 3.74Å; L461-Q465 HydrophobicContact CD1-CG 4.46Å; L461-Q465 WeakPolarHBondContact O-CG 3.26Å; L461-Q465 PolarHBondContact O-N 2.97Å; L462-Q465 PolarHBondContact O-N 3.17Å; L462-Q465 VanDerWaalsContact O-N 3.1Å; K463-Q465 VanDerWaalsContact C-N 3.25Å; K463-Q465 PolarHBondContact O-N 2.96Å; Q465-G467 PolarHBondContact O-N 3.48Å
466	H	61.2	Low	82.2	Confident	150 Å²	150	63.2 Å²	63.2	69%	0.694	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	18.5	179.2	-62.5	-32.2	0	0	0	115.4	Y387 K463 S464	Y387-H466 VanDerWaalsContact CB-CD2 3.43Å; Y387-H466 WeakPolarHBondContact CB-CD2 3.11Å; Y387-H466 AromaticContact CD2-CD2 3.51Å; Y387-H466 AromaticContact CD2-NE2 3.46Å; Y387-H466 WeakPolarHBondContact CD2-NE2 3.45Å; Y387-H466 AromaticContact CG-CD2 3.8Å; K463-H466 PolarHBondContact O-N 3.32Å; S464-H466 VanDerWaalsContact C-N 3.29Å; S464-H466 PolarHBondContact O-N 2.89Å
467	G	62	Low	82.2	Confident	5 Å²	5	60 Å²	60	5%	0.052	30%	0.302	C	S	.	.			trans	-123.5	124.4	172.9	0	0	0	0	0	110.6	C389 L462 Q465	C389-G467 VanDerWaalsContact SG-CA 3.51Å; L462-G467 CarbonylContact C-O 3.6Å; L462-G467 WeakPolarHBondContact CB-O 3.17Å; L462-G467 PolarHBondContact O-N 3.01Å; Q465-G467 PolarHBondContact O-N 3.48Å
468	G	79.5	Confident	82.4	Confident	36 Å²	36	55.8 Å²	55.8	37%	0.371	28%	0.279	S	S	.	.			trans	-78.2	168.8	176.3	0	0	0	0	0	112.5	Q470 T471 V472	G468-Q470 PolarHBondContact O-N 3.5Å; G468-Q470 VanDerWaalsContact O-N 3.15Å; G468-T471 WeakPolarHBondContact O-CA 3.43Å; G468-T471 VanDerWaalsContact O-CB 3.29Å; G468-T471 WeakPolarHBondContact O-CB 3.43Å; G468-T471 PolarHBondContact O-N 3.35Å; G468-V472 PolarHBondContact O-N 3.18Å
469	L	86.8	Confident	82.7	Confident	8 Å²	8	55 Å²	55	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-49.3	-40.8	172.3	178.8	59.5	0	0	0	112.4	I400 C450 V454 M459 L462 T471 V472 L473	I400-L469 HydrophobicContact CG2-CD1 3.52Å; C450-L469 VanDerWaalsContact C-CD2 3.48Å; C450-L469 HydrophobicContact CB-CD2 3.82Å; C450-L469 WeakPolarHBondContact O-CD2 3.37Å; V454-L469 HydrophobicContact CG2-CD1 4.01Å; V454-L469 HydrophobicContact CG2-CD2 4.12Å; M459-L469 HydrophobicContact SD-CB 4.24Å; M459-L469 HydrophobicContact SD-CD2 4.41Å; L462-L469 HydrophobicContact CD1-CB 4.35Å; L462-L469 HydrophobicContact CD1-CD1 4.38Å; L469-T471 PolarHBondContact O-N 3.22Å; L469-V472 WeakPolarHBondContact O-CB 3.24Å; L469-V472 PolarHBondContact O-N 3.27Å; L469-V472 VanDerWaalsContact O-N 3.15Å; L469-L473 HydrophobicContact CD1-CD1 4.12Å; L469-L473 HydrophobicContact CD1-CD2 4.5Å; L469-L473 HydrophobicContact CD1-CG 4.09Å; L469-L473 HydrophobicContact CG-CD1 3.92Å; L469-L473 HydrophobicContact CG-CG 4.32Å; L469-L473 WeakPolarHBondContact O-CG 3.25Å; L469-L473 PolarHBondContact O-N 2.67Å
470	Q	88.2	Confident	83.2	Confident	62 Å²	62	53.5 Å²	53.5	29%	0.29	27%	0.267	S	S	.	.	H	α-helix	trans	-56.8	-37	175.2	-170.7	-177.8	23.2	0	0	112.9	L447 G468 R474 K484	L447-Q470 HydrophobicContact CD1-CB 4.01Å; L447-Q470 HydrophobicContact CD1-CG 3.79Å; L447-Q470 HydrophobicContact CD2-CB 3.87Å; L447-Q470 HydrophobicContact CD2-CG 4.03Å; G468-Q470 PolarHBondContact O-N 3.5Å; G468-Q470 VanDerWaalsContact O-N 3.15Å; Q470-R474 WeakPolarHBondContact O-CB 3.33Å; Q470-R474 PolarHBondContact O-N 2.88Å; Q470-K484 PolarHBondContact NE2-O 3.24Å
471	T	84.5	Confident	83.6	Confident	56 Å²	56	52 Å²	52	34%	0.344	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-42.4	178.7	-58.7	0	0	0	0	110.8	G468 L469 R474 N475	G468-T471 WeakPolarHBondContact O-CA 3.43Å; G468-T471 VanDerWaalsContact O-CB 3.29Å; G468-T471 WeakPolarHBondContact O-CB 3.43Å; G468-T471 PolarHBondContact O-N 3.35Å; L469-T471 PolarHBondContact O-N 3.22Å; T471-R474 PolarHBondContact O-N 2.84Å; T471-N475 VanDerWaalsContact O-CB 3.3Å; T471-N475 WeakPolarHBondContact O-CB 3.29Å; T471-N475 PolarHBondContact O-N 2.87Å; T471-N475 PolarHBondContact O-ND2 3.29Å
472	V	87.1	Confident	83.9	Confident	8 Å²	8	50.2 Å²	50.2	5%	0.048	25%	0.25	C	C	.	.	H	α-helix	trans	-58	-52.6	174.8	175.5	0	0	0	0	110.5	C389 L397 I400 L462 G468 L469 R474 N475 H476	C389-V472 HydrophobicContact CB-CG2 4.46Å; L397-V472 HydrophobicContact CD2-CG1 3.9Å; L397-V472 HydrophobicContact CD2-CG2 3.83Å; I400-V472 HydrophobicContact CG2-CG1 4.46Å; L462-V472 HydrophobicContact CD1-CG2 3.97Å; L462-V472 HydrophobicContact CD2-CG2 3.55Å; L462-V472 HydrophobicContact CG-CG2 4.41Å; G468-V472 PolarHBondContact O-N 3.18Å; L469-V472 WeakPolarHBondContact O-CB 3.24Å; L469-V472 PolarHBondContact O-N 3.27Å; L469-V472 VanDerWaalsContact O-N 3.15Å; V472-R474 PolarHBondContact O-N 3.3Å; V472-N475 PolarHBondContact O-N 3.47Å; V472-H476 PolarHBondContact O-N 2.97Å
473	L	91	Very high	84.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-41	-178.8	-62.1	175.2	0	0	0	111.6	V404 L447 C450 L469 N475 H476 F480 T482 V487	V404-L473 HydrophobicContact CB-CD2 4.1Å; V404-L473 HydrophobicContact CG1-CD1 4.37Å; V404-L473 HydrophobicContact CG1-CD2 4.01Å; V404-L473 HydrophobicContact CG2-CD2 4.12Å; L447-L473 HydrophobicContact CD2-CD1 4.38Å; C450-L473 HydrophobicContact CB-CD1 4.36Å; L469-L473 HydrophobicContact CD1-CD1 4.12Å; L469-L473 HydrophobicContact CD1-CD2 4.5Å; L469-L473 HydrophobicContact CD1-CG 4.09Å; L469-L473 HydrophobicContact CG-CD1 3.92Å; L469-L473 HydrophobicContact CG-CG 4.32Å; L469-L473 WeakPolarHBondContact O-CG 3.25Å; L469-L473 PolarHBondContact O-N 2.67Å; L473-N475 PolarHBondContact O-N 3.19Å; L473-H476 PolarHBondContact O-N 3.49Å; L473-F480 HydrophobicContact CB-CD2 4.25Å; L473-F480 HydrophobicContact CD2-CD2 3.68Å; L473-F480 HydrophobicContact CD2-CE2 3.6Å; L473-F480 HydrophobicContact CD2-CG 4.24Å; L473-F480 HydrophobicContact CD2-CZ 4.09Å; L473-T482 HydrophobicContact CB-CG2 4.23Å; L473-V487 HydrophobicContact CD1-CG1 4.13Å; L473-V487 HydrophobicContact CD1-CG2 3.85Å
474	R	86.9	Confident	84.5	Confident	125 Å²	125	55.1 Å²	55.1	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-38.6	176.8	-173.3	179.8	-68.7	165.1	-0.4	112.6	Q470 T471 V472 H476 T482	Q470-R474 WeakPolarHBondContact O-CB 3.33Å; Q470-R474 PolarHBondContact O-N 2.88Å; T471-R474 PolarHBondContact O-N 2.84Å; V472-R474 PolarHBondContact O-N 3.3Å; R474-H476 VanDerWaalsContact C-N 3.33Å; R474-T482 HydrophobicContact CB-CG2 4.3Å; R474-T482 PolarHBondContact NE-OG1 2.92Å
475	N	85.4	Confident	85.2	Confident	105 Å²	105	57.7 Å²	57.7	56%	0.561	28%	0.282	S	S	*	.	H	α-helix	trans	-71.5	-28.7	179.7	-73.5	-14.2	0	0	0	112.4	T471 V472 L473 H477	T471-N475 VanDerWaalsContact O-CB 3.3Å; T471-N475 WeakPolarHBondContact O-CB 3.29Å; T471-N475 PolarHBondContact O-N 2.87Å; T471-N475 PolarHBondContact O-ND2 3.29Å; V472-N475 PolarHBondContact O-N 3.47Å; L473-N475 PolarHBondContact O-N 3.19Å; N475-H477 PolarHBondContact O-N 3.14Å; N475-H477 PolarHBondContact O-ND1 3.24Å
476	H	89.7	Confident	86.2	Confident	32 Å²	32	58.3 Å²	58.3	15%	0.148	29%	0.288	C	S	.	.			trans	-79.3	59.7	172.2	-163.5	175.5	0	0	0	111.7	S401 V472 L473 R474 Q478 C479 F480 W521	S401-H476 VanDerWaalsContact CB-ND1 3.28Å; S401-H476 WeakPolarHBondContact CB-ND1 3.46Å; S401-H476 PolarHBondContact OG-ND1 3.4Å; V472-H476 PolarHBondContact O-N 2.97Å; L473-H476 PolarHBondContact O-N 3.49Å; R474-H476 VanDerWaalsContact C-N 3.33Å; H476-Q478 VanDerWaalsContact C-N 3.26Å; H476-Q478 PolarHBondContact O-N 2.99Å; H476-C479 PolarHBondContact O-N 2.8Å; H476-F480 HydrophobicContact CB-CD2 4.03Å; H476-F480 HydrophobicContact CB-CE2 4.35Å; H476-F480 AromaticContact ND1-CE2 3.89Å; H476-F480 PolarHBondContact O-N 3.16Å; H476-W521 AromaticContact CE1-CD1 3.81Å; H476-W521 AromaticContact CE1-CD2 3.92Å; H476-W521 AromaticContact CE1-CE2 3.5Å; H476-W521 AromaticContact CE1-CZ2 3.98Å; H476-W521 AromaticContact CE1-NE1 3.41Å; H476-W521 PolarHBondContact CE1-NE1 2.95Å; H476-W521 AromaticContact NE2-CD1 3.41Å; H476-W521 AromaticContact NE2-CD2 3.73Å; H476-W521 AromaticContact NE2-CE2 3.75Å; H476-W521 AromaticContact NE2-CG 3.54Å; H476-W521 AromaticContact NE2-NE1 3.53Å
477	H	87.9	Confident	87.8	Confident	74 Å²	74	51.2 Å²	51.2	34%	0.343	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.4	-171.3	70.1	-78.2	0	0	0	114.9	N475 C479 R490 F539	N475-H477 PolarHBondContact O-N 3.14Å; N475-H477 PolarHBondContact O-ND1 3.24Å; H477-C479 VanDerWaalsContact C-N 3.28Å; H477-R490 WeakPolarHBondContact O-CD 3.39Å; H477-R490 PolarHBondContact O-NE 3.13Å; H477-R490 PolarHBondContact O-NH1 2.94Å; H477-F539 AromaticContact NE2-CZ 3.74Å
478	Q	91.8	Very high	89.5	Confident	26 Å²	26	52.2 Å²	52.2	12%	0.121	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-27.7	175.2	-63.5	-166.5	21.1	0	0	112.2	H476 F519 W521 F539	H476-Q478 VanDerWaalsContact C-N 3.26Å; H476-Q478 PolarHBondContact O-N 2.99Å; Q478-F519 PolarHBondContact NE2-O 2.97Å; Q478-F519 PolarHBondContact OE1-O 3.31Å; Q478-F519 VanDerWaalsContact OE1-O 3.09Å; Q478-W521 HydrophobicContact CB-CB 3.89Å; Q478-F539 HydrophobicContact CG-CD1 4.42Å; Q478-F539 HydrophobicContact CG-CD2 4.41Å; Q478-F539 HydrophobicContact CG-CE1 3.9Å; Q478-F539 HydrophobicContact CG-CE2 3.88Å; Q478-F539 HydrophobicContact CG-CZ 3.61Å
479	C	93.8	Very high	90.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-46.7	-174.2	-175.5	0	0	0	0	112.6	F405 H476 H477 L489 R490 W521 M522	F405-C479 VanDerWaalsContact CD2-SG 3.56Å; H476-C479 PolarHBondContact O-N 2.8Å; H477-C479 VanDerWaalsContact C-N 3.28Å; C479-L489 CarbonylContact O-C 3.27Å; C479-L489 WeakPolarHBondContact O-CA 3.41Å; C479-R490 PolarHBondContact O-N 2.77Å; C479-W521 HydrophobicContact CB-CD2 4.25Å; C479-W521 HydrophobicContact CB-CE3 3.76Å; C479-W521 HydrophobicContact CB-CH2 4.47Å; C479-W521 HydrophobicContact CB-CZ3 3.9Å; C479-W521 WeakPolarHBondContact SG-CZ3 3.2Å; C479-M522 HydrophobicContact CB-CE 4.48Å; C479-M522 VanDerWaalsContact O-CE 3.31Å; C479-M522 WeakPolarHBondContact O-CE 3.45Å
480	F	95.4	Very high	90.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.4	-168.2	-53	-66.6	0	0	0	114.6	S401 V404 F405 L408 L473 H476 V487 Q488 L489 R490	S401-F480 VanDerWaalsContact O-CZ 3.31Å; S401-F480 WeakPolarHBondContact O-CZ 3.47Å; V404-F480 HydrophobicContact CB-CE1 4.38Å; V404-F480 HydrophobicContact CB-CZ 4.22Å; V404-F480 HydrophobicContact CG1-CE1 3.94Å; V404-F480 HydrophobicContact CG1-CZ 4.23Å; F405-F480 HydrophobicContact CB-CE1 4.2Å; F405-F480 HydrophobicContact CB-CZ 4.03Å; L408-F480 HydrophobicContact CD1-CD1 3.8Å; L408-F480 HydrophobicContact CD1-CE1 3.75Å; L473-F480 HydrophobicContact CB-CD2 4.25Å; L473-F480 HydrophobicContact CD2-CD2 3.68Å; L473-F480 HydrophobicContact CD2-CE2 3.6Å; L473-F480 HydrophobicContact CD2-CG 4.24Å; L473-F480 HydrophobicContact CD2-CZ 4.09Å; H476-F480 HydrophobicContact CB-CD2 4.03Å; H476-F480 HydrophobicContact CB-CE2 4.35Å; H476-F480 AromaticContact ND1-CE2 3.89Å; H476-F480 PolarHBondContact O-N 3.16Å; F480-V487 HydrophobicContact CB-CG1 4.18Å; F480-V487 HydrophobicContact CD1-CG1 4.01Å; F480-V487 HydrophobicContact CG-CG1 4.28Å; F480-Q488 WeakPolarHBondContact CA-O 3.32Å; F480-L489 HydrophobicContact CE1-CD2 4.4Å; F480-R490 PolarHBondContact O-NE 2.85Å; F480-R490 PolarHBondContact O-NH2 3.04Å
481	R	93.3	Very high	90.7	Very high	103 Å²	103	52.4 Å²	52.4	39%	0.389	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.8	165.5	-175.7	-179.3	179.9	176.8	-2.2	108	I483 Q488 R490	R481-I483 HydrophobicContact CG-CD1 4.34Å; R481-I483 HydrophobicContact CG-CG1 4.02Å; R481-Q488 HydrophobicContact CB-CG 4.08Å; R481-Q488 PolarHBondContact N-O 3.12Å; R481-Q488 PolarHBondContact O-N 3.23Å; R481-R490 HydrophobicContact CB-CB 4.2Å; R481-R490 HydrophobicContact CB-CG 4.4Å
482	T	90.6	Very high	90.8	Very high	26 Å²	26	53 Å²	53	16%	0.16	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120	174.8	62.7	0	0	0	0	109.4	L473 R474 T486 V487	L473-T482 HydrophobicContact CB-CG2 4.23Å; R474-T482 HydrophobicContact CB-CG2 4.3Å; R474-T482 PolarHBondContact NE-OG1 2.92Å; T482-T486 CarbonylContact C-O 3.54Å; T482-T486 VanDerWaalsContact CA-O 3.32Å; T482-T486 WeakPolarHBondContact CA-O 3.41Å; T482-V487 HydrophobicContact CG2-CG2 4.36Å
483	I	86.8	Confident	90.7	Very high	64 Å²	64	53 Å²	53	33%	0.328	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.4	177.9	-54.8	177.1	0	0	0	107.8	R481 N485 T486	R481-I483 HydrophobicContact CG-CD1 4.34Å; R481-I483 HydrophobicContact CG-CG1 4.02Å; I483-N485 PolarHBondContact O-N 2.96Å; I483-T486 PolarHBondContact N-O 3.07Å; I483-T486 PolarHBondContact O-N 3.03Å; I483-T486 PolarHBondContact O-OG1 3.29Å
484	K	85.7	Confident	90	Very high	187 Å²	187	57.6 Å²	57.6	81%	0.813	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	-109.6	-172.3	-59.5	177.7	179.5	176.9	0	110.9	Q470	Q470-K484 PolarHBondContact NE2-O 3.24Å
485	N	88.8	Confident	89.6	Confident	115 Å²	115	52.3 Å²	52.3	62%	0.615	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	9.6	-179.7	-71.6	-3	0	0	0	113.5	T446 L447 I483	T446-N485 CarbonylContact C-O 3.54Å; T446-N485 WeakPolarHBondContact CA-O 3.49Å; L447-N485 WeakPolarHBondContact CG-O 3.39Å; L447-N485 PolarHBondContact N-O 2.95Å; I483-N485 PolarHBondContact O-N 2.96Å
486	T	93.9	Very high	89	Confident	43 Å²	43	47.7 Å²	47.7	26%	0.264	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	158.3	178.5	66.2	0	0	0	0	112.3	T444 L445 T482 I483	T444-T486 VanDerWaalsContact CG2-CB 3.5Å; T444-T486 HydrophobicContact CG2-CG2 3.94Å; L445-T486 CarbonylContact O-C 3.57Å; L445-T486 VanDerWaalsContact O-CA 3.25Å; L445-T486 WeakPolarHBondContact O-CA 3.31Å; T482-T486 CarbonylContact C-O 3.54Å; T482-T486 VanDerWaalsContact CA-O 3.32Å; T482-T486 WeakPolarHBondContact CA-O 3.41Å; I483-T486 PolarHBondContact N-O 3.07Å; I483-T486 PolarHBondContact O-N 3.03Å; I483-T486 PolarHBondContact O-OG1 3.29Å
487	V	96	Very high	87.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.5	-179.5	-171.1	0	0	0	0	107.4	V404 L408 L445 L447 L473 F480 T482	V404-V487 HydrophobicContact CG1-CG1 4.48Å; L408-V487 HydrophobicContact CD1-CG1 4.26Å; L408-V487 WeakPolarHBondContact CD2-O 3.4Å; L445-V487 PolarHBondContact N-O 2.7Å; L445-V487 PolarHBondContact O-N 2.65Å; L447-V487 HydrophobicContact CD2-CG2 3.64Å; L447-V487 HydrophobicContact CG-CG2 4.29Å; L473-V487 HydrophobicContact CD1-CG1 4.13Å; L473-V487 HydrophobicContact CD1-CG2 3.85Å; F480-V487 HydrophobicContact CB-CG1 4.18Å; F480-V487 HydrophobicContact CD1-CG1 4.01Å; F480-V487 HydrophobicContact CG-CG1 4.28Å; T482-V487 HydrophobicContact CG2-CG2 4.36Å
488	Q	95.6	Very high	86.2	Confident	27 Å²	27	49.4 Å²	49.4	13%	0.126	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	167.4	174.1	62.4	-175.3	61.7	0	0	109.5	F480 R481	F480-Q488 WeakPolarHBondContact CA-O 3.32Å; R481-Q488 HydrophobicContact CB-CG 4.08Å; R481-Q488 PolarHBondContact N-O 3.12Å; R481-Q488 PolarHBondContact O-N 3.23Å
489	L	96	Very high	84.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	142.4	170.6	-60.3	-172.6	0	0	0	110.3	F405 L408 L409 C479 F480 W491 M522	F405-L489 HydrophobicContact CD2-CD2 3.48Å; F405-L489 VanDerWaalsContact CD2-CD2 3.48Å; F405-L489 HydrophobicContact CE2-CD1 4.04Å; F405-L489 HydrophobicContact CE2-CD2 3.76Å; L408-L489 HydrophobicContact CB-CD2 4.15Å; L408-L489 HydrophobicContact CB-CG 4.34Å; L408-L489 HydrophobicContact CD1-CD2 3.83Å; L408-L489 HydrophobicContact CD1-CG 4.43Å; L409-L489 HydrophobicContact CD2-CD1 3.74Å; C479-L489 CarbonylContact O-C 3.27Å; C479-L489 WeakPolarHBondContact O-CA 3.41Å; F480-L489 HydrophobicContact CE1-CD2 4.4Å; L489-W491 PolarHBondContact O-N 3.26Å; L489-M522 HydrophobicContact CB-CE 4.15Å; L489-M522 HydrophobicContact CD2-CE 4.31Å
490	R	93.6	Very high	82.4	Confident	96 Å²	96	55 Å²	55	36%	0.362	26%	0.263	S	S	.	.			trans	-85.2	114.5	176.9	-172.7	175.8	-59.5	-161.7	2	110.1	H477 C479 F480 R481	H477-R490 WeakPolarHBondContact O-CD 3.39Å; H477-R490 PolarHBondContact O-NE 3.13Å; H477-R490 PolarHBondContact O-NH1 2.94Å; C479-R490 PolarHBondContact O-N 2.77Å; F480-R490 PolarHBondContact O-NE 2.85Å; F480-R490 PolarHBondContact O-NH2 3.04Å; R481-R490 HydrophobicContact CB-CB 4.2Å; R481-R490 HydrophobicContact CB-CG 4.4Å
491	W	91.7	Very high	80.5	Confident	14 Å²	14	63.6 Å²	63.6	5%	0.053	31%	0.309	C	S	.	.			trans	-154.6	167.8	165.2	64.2	-73	0	0	0	108.9	L418 L423 V431 W439 P441 L489 P493 M496 P531	L418-W491 HydrophobicContact CD2-CH2 3.83Å; L418-W491 HydrophobicContact CD2-CZ2 3.64Å; L423-W491 HydrophobicContact CD1-CH2 3.58Å; L423-W491 HydrophobicContact CD1-CZ3 4.03Å; V431-W491 HydrophobicContact CG1-CZ3 4.46Å; V431-W491 HydrophobicContact CG2-CH2 3.89Å; V431-W491 HydrophobicContact CG2-CZ2 4.45Å; W439-W491 HydrophobicContact CH2-CB 4.11Å; W439-W491 AromaticContact CH2-CD1 3.9Å; W439-W491 HydrophobicContact CH2-CD2 4.48Å; W439-W491 AromaticContact CH2-CG 3.92Å; W439-W491 HydrophobicContact CH2-CG 3.92Å; W439-W491 HydrophobicContact CZ3-CB 4.29Å; W439-W491 AromaticContact CZ3-CD1 3.89Å; W439-W491 AromaticContact CZ3-CD2 3.87Å; W439-W491 HydrophobicContact CZ3-CD2 3.87Å; W439-W491 HydrophobicContact CZ3-CE3 4.4Å; W439-W491 AromaticContact CZ3-CG 3.78Å; W439-W491 HydrophobicContact CZ3-CG 3.78Å; P441-W491 HydrophobicContact CB-CH2 4.45Å; P441-W491 HydrophobicContact CB-CZ2 3.59Å; L489-W491 PolarHBondContact O-N 3.26Å; W491-P493 HydrophobicContact CE3-CG 4.18Å; W491-P493 HydrophobicContact CH2-CB 4.21Å; W491-P493 HydrophobicContact CH2-CG 3.91Å; W491-P493 HydrophobicContact CZ2-CG 4.31Å; W491-P493 VanDerWaalsContact CZ3-CA 3.49Å; W491-P493 HydrophobicContact CZ3-CB 3.94Å; W491-P493 HydrophobicContact CZ3-CG 3.87Å; W491-M496 HydrophobicContact CD2-SD 4.38Å; W491-M496 HydrophobicContact CE3-CG 4.29Å; W491-M496 HydrophobicContact CE3-SD 3.31Å; W491-M496 HydrophobicContact CZ3-CB 4.48Å; W491-M496 HydrophobicContact CZ3-CG 4.37Å; W491-M496 HydrophobicContact CZ3-SD 3.48Å; W491-M496 WeakPolarHBondContact CZ3-SD 3.16Å; W491-P531 HydrophobicContact CB-CG 4.21Å
492	L	86.7	Confident	78.5	Confident	69 Å²	69	62.8 Å²	62.8	36%	0.361	32%	0.319	S	S	.	.			trans	-117.8	106.1	-178.3	-62.3	174.7	0	0	0	107.4	E494 K495 Y532	L492-E494 PolarHBondContact O-N 3.41Å; L492-K495 HydrophobicContact CB-CB 4.31Å; L492-K495 HydrophobicContact CB-CG 4.23Å; L492-K495 HydrophobicContact CD1-CD 4.02Å; L492-K495 HydrophobicContact CD1-CG 4.26Å; L492-K495 PolarHBondContact O-N 2.92Å; L492-K495 VanDerWaalsContact O-N 3.16Å; L492-Y532 WeakPolarHBondContact CA-OH 3.35Å; L492-Y532 VanDerWaalsContact CB-OH 3.29Å; L492-Y532 WeakPolarHBondContact CB-OH 3.39Å; L492-Y532 PolarHBondContact N-OH 3.36Å; L492-Y532 PolarHBondContact O-OH 3.06Å
493	P	83.8	Confident	76.6	Confident	7 Å²	7	63.8 Å²	63.8	5%	0.045	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-53.5	-34.1	176.1	-28.5	36.5	0	0	0	113.4	H421 L423 W491 K495 M496 A497	H421-P493 HydrophobicContact CB-CB 3.78Å; H421-P493 VanDerWaalsContact CD2-CB 3.49Å; H421-P493 WeakPolarHBondContact CD2-CB 3.18Å; L423-P493 HydrophobicContact CD1-CB 4.3Å; W491-P493 HydrophobicContact CE3-CG 4.18Å; W491-P493 HydrophobicContact CH2-CB 4.21Å; W491-P493 HydrophobicContact CH2-CG 3.91Å; W491-P493 HydrophobicContact CZ2-CG 4.31Å; W491-P493 VanDerWaalsContact CZ3-CA 3.49Å; W491-P493 HydrophobicContact CZ3-CB 3.94Å; W491-P493 HydrophobicContact CZ3-CG 3.87Å; P493-K495 VanDerWaalsContact C-N 3.28Å; P493-K495 PolarHBondContact O-N 3.11Å; P493-M496 CarbonylContact O-C 3.43Å; P493-M496 WeakPolarHBondContact O-CA 3.47Å; P493-M496 PolarHBondContact O-N 2.81Å; P493-A497 PolarHBondContact O-N 3.29Å
494	E	77.5	Confident	74.7	Confident	96 Å²	96	67.5 Å²	67.5	45%	0.449	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-67.7	-28.4	-177.3	-51.4	82.6	177.9	0	0	112.5	L492 M496	L492-E494 PolarHBondContact O-N 3.41Å; E494-M496 PolarHBondContact O-N 2.81Å
495	K	77.4	Confident	73.1	Confident	14 Å²	14	61.8 Å²	61.8	6%	0.061	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-75.6	-13.1	172.3	-76.5	-167.8	175.4	-169.3	0	112.5	L492 P493 F507 Y532 L536 D538	L492-K495 HydrophobicContact CB-CB 4.31Å; L492-K495 HydrophobicContact CB-CG 4.23Å; L492-K495 HydrophobicContact CD1-CD 4.02Å; L492-K495 HydrophobicContact CD1-CG 4.26Å; L492-K495 PolarHBondContact O-N 2.92Å; L492-K495 VanDerWaalsContact O-N 3.16Å; P493-K495 VanDerWaalsContact C-N 3.28Å; P493-K495 PolarHBondContact O-N 3.11Å; K495-F507 HydrophobicContact CG-CD1 4.21Å; K495-F507 HydrophobicContact CG-CD2 4.28Å; K495-F507 HydrophobicContact CG-CE1 4.46Å; K495-F507 HydrophobicContact CG-CG 4.11Å; K495-Y532 HydrophobicContact CB-CD1 3.92Å; K495-Y532 HydrophobicContact CB-CE1 3.36Å; K495-Y532 HydrophobicContact CD-CD1 4.34Å; K495-Y532 HydrophobicContact CD-CE1 3.94Å; K495-Y532 HydrophobicContact CD-CE2 4.37Å; K495-Y532 HydrophobicContact CG-CE1 4.28Å; K495-L536 PolarHBondContact NZ-O 3.18Å; K495-L536 VanDerWaalsContact NZ-O 3.13Å; K495-D538 IonicContact NZ-OD2 3.37Å; K495-D538 PolarHBondContact NZ-OD2 2.87Å; K495-D538 VanDerWaalsContact NZ-OD2 3.1Å
496	M	73	Confident	71.4	Confident	9 Å²	9	62.1 Å²	62.1	4%	0.044	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-13.5	178.7	-59.7	-175.8	78.3	0	0	113.2	L423 V431 T433 W439 W491 P493 E494 P531 Y532	L423-M496 HydrophobicContact CD2-CB 4.22Å; V431-M496 HydrophobicContact CB-CE 4.38Å; V431-M496 HydrophobicContact CG1-CE 3.89Å; V431-M496 HydrophobicContact CG1-SD 4.36Å; T433-M496 HydrophobicContact CG2-CE 3.61Å; W439-M496 HydrophobicContact CE3-CE 4.38Å; W491-M496 HydrophobicContact CD2-SD 4.38Å; W491-M496 HydrophobicContact CE3-CG 4.29Å; W491-M496 HydrophobicContact CE3-SD 3.31Å; W491-M496 HydrophobicContact CZ3-CB 4.48Å; W491-M496 HydrophobicContact CZ3-CG 4.37Å; W491-M496 HydrophobicContact CZ3-SD 3.48Å; W491-M496 WeakPolarHBondContact CZ3-SD 3.16Å; P493-M496 CarbonylContact O-C 3.43Å; P493-M496 WeakPolarHBondContact O-CA 3.47Å; P493-M496 PolarHBondContact O-N 2.81Å; E494-M496 PolarHBondContact O-N 2.81Å; M496-P531 HydrophobicContact CE-CB 3.85Å; M496-P531 WeakPolarHBondContact CE-O 3.25Å; M496-P531 HydrophobicContact SD-CB 3.61Å; M496-Y532 HydrophobicContact CG-CD1 4.27Å; M496-Y532 HydrophobicContact CG-CE1 3.89Å
497	A	60.6	Low	69.5	Low	19 Å²	19	63.8 Å²	63.8	16%	0.157	34%	0.335	C	S	.	.	S	Bend	trans	-67.2	146.2	177.3	0	0	0	0	0	110.7	L423 P493	L423-A497 HydrophobicContact CD2-CB 4.37Å; P493-A497 PolarHBondContact O-N 3.29Å
498	K	57.7	Low	67.3	Low	122 Å²	122	69.5 Å²	69.5	53%	0.53	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-50.4	149.9	-172.1	-69.4	-178.3	178.7	-179.9	0	112.8	M424 L506	M424-K498 VanDerWaalsContact CG-CE 3.41Å; M424-K498 VanDerWaalsContact SD-CE 3.52Å; K498-L506 WeakPolarHBondContact O-CD1 3.41Å
499	L	53.4	Low	65.3	Low	84 Å²	84	71.1 Å²	71.1	44%	0.44	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-49	147.9	164.4	-56.3	166.7	0	0	0	109.7	F504 P505	L499-F504 CarbonylContact C-O 3.6Å; L499-F504 VanDerWaalsContact CA-O 3.27Å; L499-F504 WeakPolarHBondContact CA-O 3.47Å; L499-F504 VanDerWaalsContact CD2-C 3.47Å; L499-P505 HydrophobicContact CD2-CB 4.41Å; L499-P505 HydrophobicContact CD2-CG 4.02Å
500	N	54	Low	63	Low	59 Å²	59	77.1 Å²	77.1	32%	0.316	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-60.3	170.6	168.9	64.9	10.4	0	0	0	110.8	S502 G503 F504 L506	N500-S502 PolarHBondContact O-N 3.13Å; N500-S502 WeakPolarHBondContact OD1-CA 3.38Å; N500-S502 WeakPolarHBondContact OD1-CB 3.47Å; N500-S502 PolarHBondContact OD1-N 3.06Å; N500-S502 VanDerWaalsContact OD1-N 3.17Å; N500-G503 PolarHBondContact O-N 3.05Å; N500-G503 PolarHBondContact OD1-N 2.84Å; N500-F504 PolarHBondContact N-O 3.38Å; N500-F504 PolarHBondContact OD1-N 3.41Å; N500-F504 PolarHBondContact OD1-O 3.37Å; N500-L506 HydrophobicContact CB-CD2 4.05Å; N500-L506 HydrophobicContact CB-CG 4.41Å
501	D	53.6	Low	60.7	Low	181 Å²	181	78.8 Å²	78.8	97%	0.968	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-13.3	178.3	-65.5	-32.6	0	0	0	113.7
502	S	52.8	Low	58.5	Low	87 Å²	87	80.5 Å²	80.5	61%	0.608	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	3	178.9	-36.5	0	0	0	0	114.1	N500 F504	N500-S502 PolarHBondContact O-N 3.13Å; N500-S502 WeakPolarHBondContact OD1-CA 3.38Å; N500-S502 WeakPolarHBondContact OD1-CB 3.47Å; N500-S502 PolarHBondContact OD1-N 3.06Å; N500-S502 VanDerWaalsContact OD1-N 3.17Å; S502-F504 WeakPolarHBondContact O-CD2 3.38Å
503	G	50	Low	56.8	Low	47 Å²	47	87.2 Å²	87.2	49%	0.485	47%	0.472	S	S	.	.	S	Bend	trans	79.3	13.9	178.5	0	0	0	0	0	115.6	N500	N500-G503 PolarHBondContact O-N 3.05Å; N500-G503 PolarHBondContact OD1-N 2.84Å
504	F	48	Very low	55.5	Low	141 Å²	141	90.3 Å²	90.3	62%	0.618	49%	0.488	S	S	*	.			trans	-104	145	177.7	-66.6	-79.4	0	0	0	112.3	L499 N500 S502 L506	L499-F504 CarbonylContact C-O 3.6Å; L499-F504 VanDerWaalsContact CA-O 3.27Å; L499-F504 WeakPolarHBondContact CA-O 3.47Å; L499-F504 VanDerWaalsContact CD2-C 3.47Å; N500-F504 PolarHBondContact N-O 3.38Å; N500-F504 PolarHBondContact OD1-N 3.41Å; N500-F504 PolarHBondContact OD1-O 3.37Å; S502-F504 WeakPolarHBondContact O-CD2 3.38Å; F504-L506 PolarHBondContact O-N 2.82Å
505	P	51	Low	54.8	Low	67 Å²	67	93 Å²	93	44%	0.435	49%	0.494	S	S	.	.			trans	-57.6	130.4	173.7	-18.8	29.3	0	0	0	110.5	L499 F507	L499-P505 HydrophobicContact CD2-CB 4.41Å; L499-P505 HydrophobicContact CD2-CG 4.02Å; P505-F507 PolarHBondContact O-N 3.35Å; P505-F507 VanDerWaalsContact O-N 3.16Å
506	L	53.2	Low	55.1	Low	122 Å²	122	93.7 Å²	93.7	64%	0.639	50%	0.497	S	S	*	.	S	Bend	trans	-61.6	-20.2	171.9	-77	165.3	0	0	0	112.1	K498 N500 F504	K498-L506 WeakPolarHBondContact O-CD1 3.41Å; N500-L506 HydrophobicContact CB-CD2 4.05Å; N500-L506 HydrophobicContact CB-CG 4.41Å; F504-L506 PolarHBondContact O-N 2.82Å
507	F	55	Low	55.7	Low	78 Å²	78	95.7 Å²	95.7	34%	0.342	51%	0.51	S	S	.	.			trans	-92.6	99.2	176.8	-159.9	-89.9	0	0	0	110.9	K495 P505 N509	K495-F507 HydrophobicContact CG-CD1 4.21Å; K495-F507 HydrophobicContact CG-CD2 4.28Å; K495-F507 HydrophobicContact CG-CE1 4.46Å; K495-F507 HydrophobicContact CG-CG 4.11Å; P505-F507 PolarHBondContact O-N 3.35Å; P505-F507 VanDerWaalsContact O-N 3.16Å; F507-N509 HydrophobicContact CD1-CB 4.33Å; F507-N509 HydrophobicContact CE1-CB 4.32Å; F507-N509 PolarHBondContact O-N 2.8Å
508	N	49.6	Very low	57	Low	120 Å²	120	100.5 Å²	100.5	64%	0.642	53%	0.527	S	S	*	.			trans	-80.7	101.7	172.6	-156.5	1.1	0	0	0	109.3	N510	N508-N510 PolarHBondContact ND2-ND2 3.36Å; N508-N510 PolarHBondContact ND2-OD1 2.92Å; N508-N510 PolarHBondContact O-N 3.1Å; N508-N510 PolarHBondContact OD1-OD1 3.33Å
509	N	52.8	Low	58.7	Low	61 Å²	61	98.4 Å²	98.4	33%	0.326	52%	0.518	S	S	.	.			trans	-77.4	61.4	176.3	-153.3	19.3	0	0	0	110.2	F507 N511	F507-N509 HydrophobicContact CD1-CB 4.33Å; F507-N509 HydrophobicContact CE1-CB 4.32Å; F507-N509 PolarHBondContact O-N 2.8Å; N509-N511 PolarHBondContact O-N 3.46Å; N509-N511 VanDerWaalsContact O-N 3.07Å
510	N	47.4	Very low	60.6	Low	126 Å²	126	94.6 Å²	94.6	67%	0.674	50%	0.498	S	S	*	.			trans	-65.4	-6.1	176.2	-83.1	-17	0	0	0	112.9	N508	N508-N510 PolarHBondContact ND2-ND2 3.36Å; N508-N510 PolarHBondContact ND2-OD1 2.92Å; N508-N510 PolarHBondContact O-N 3.1Å; N508-N510 PolarHBondContact OD1-OD1 3.33Å
511	N	45.6	Very low	62.5	Low	132 Å²	132	93.1 Å²	93.1	71%	0.706	49%	0.489	S	S	*	.	S	Bend	trans	-101.9	78.2	175	-74.6	-17.8	0	0	0	111.2	N509 N514	N509-N511 PolarHBondContact O-N 3.46Å; N509-N511 VanDerWaalsContact O-N 3.07Å; N511-N514 PolarHBondContact O-OD1 3.28Å
512	G	46.4	Very low	64.4	Low	49 Å²	49	84.9 Å²	84.9	51%	0.505	44%	0.444	S	S	.	.			trans	91.1	139.7	137.6	0	0	0	0	0	116.8	N514	G512-N514 PolarHBondContact O-N 3.47Å
513	K	50.9	Low	66.3	Low	210 Å²	210	82.5 Å²	82.5	91%	0.913	43%	0.428	S	S	*	.			trans	-49.9	79.2	149.7	-65.8	169.4	176.8	175.7	0	108.7	R515	K513-R515 PolarHBondContact O-N 2.96Å; K513-R515 VanDerWaalsContact O-N 3.1Å
514	N	54.9	Low	68.4	Low	72 Å²	72	85.5 Å²	85.5	39%	0.385	43%	0.432	S	S	.	.			trans	-66.3	116.3	-177.9	-78	-21.3	0	0	0	107.3	N511 G512 K516 D538	N511-N514 PolarHBondContact O-OD1 3.28Å; G512-N514 PolarHBondContact O-N 3.47Å; N514-K516 VanDerWaalsContact C-N 3.31Å; N514-K516 PolarHBondContact O-N 2.93Å; N514-D538 PolarHBondContact ND2-OD1 3.46Å
515	R	64.1	Low	70.6	Confident	154 Å²	154	81.4 Å²	81.4	58%	0.581	42%	0.417	S	S	*	.			trans	-64.7	93	-179.7	-66.9	178.9	-179.9	177	-1.1	107.9	K513 T517 L547	K513-R515 PolarHBondContact O-N 2.96Å; K513-R515 VanDerWaalsContact O-N 3.1Å; R515-T517 HydrophobicContact CB-CG2 4Å; R515-T517 WeakPolarHBondContact O-CG2 3.27Å; R515-T517 PolarHBondContact O-N 2.87Å; R515-T517 PolarHBondContact O-OG1 3.41Å; R515-L547 HydrophobicContact CB-CD1 4.37Å
516	K	83.7	Confident	72.7	Confident	27 Å²	27	78.7 Å²	78.7	12%	0.117	40%	0.398	C	S	.	.			trans	-59.4	78.1	173	-75.4	-179.2	166.4	-171.6	0	109.8	N514 S534 C537 F539 A540 E545 I546 L547	N514-K516 VanDerWaalsContact C-N 3.31Å; N514-K516 PolarHBondContact O-N 2.93Å; K516-S534 WeakPolarHBondContact CE-O 3.48Å; K516-S534 PolarHBondContact NZ-O 3.46Å; K516-S534 PolarHBondContact NZ-OG 3.47Å; K516-C537 WeakPolarHBondContact CE-O 3.5Å; K516-F539 VanDerWaalsContact CE-O 3.28Å; K516-F539 WeakPolarHBondContact CE-O 3.39Å; K516-A540 HydrophobicContact CB-CB 4.22Å; K516-A540 HydrophobicContact CD-CB 4.5Å; K516-E545 VanDerWaalsContact CB-O 3.26Å; K516-E545 WeakPolarHBondContact CB-O 3.01Å; K516-E545 HydrophobicContact CD-CB 4.02Å; K516-E545 IonicContact NZ-OE2 3.33Å; K516-E545 PolarHBondContact NZ-OE2 2.98Å; K516-I546 CarbonylContact O-C 3.56Å; K516-I546 VanDerWaalsContact O-CA 3.3Å; K516-I546 WeakPolarHBondContact O-CA 3.42Å; K516-L547 PolarHBondContact O-N 3.43Å
517	T	84.2	Confident	74.7	Confident	52 Å²	52	77.4 Å²	77.4	32%	0.319	40%	0.397	S	S	.	.			trans	-90.2	-2.6	-173	49.4	0	0	0	0	113.1	R515 L547 K549	R515-T517 HydrophobicContact CB-CG2 4Å; R515-T517 WeakPolarHBondContact O-CG2 3.27Å; R515-T517 PolarHBondContact O-N 2.87Å; R515-T517 PolarHBondContact O-OG1 3.41Å; T517-L547 WeakPolarHBondContact CG2-O 3.31Å; T517-K549 HydrophobicContact CG2-CG 3.61Å
518	K	88.4	Confident	76.6	Confident	119 Å²	119	75.5 Å²	75.5	52%	0.517	39%	0.391	S	S	.	.	S	Bend	trans	-145.4	150.6	-178.8	-63.6	-175.2	179.7	-178	0	109.8	F539 A540	K518-F539 HydrophobicContact CB-CD1 4.42Å; K518-A540 PolarHBondContact O-N 3.46Å
519	F	92.8	Very high	78.7	Confident	78 Å²	78	70.6 Å²	70.6	34%	0.342	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-62.3	149.4	168.3	-69.1	-71.6	0	0	0	112.1	Q478 W521 L524 A540 E543 I546	Q478-F519 PolarHBondContact NE2-O 2.97Å; Q478-F519 PolarHBondContact OE1-O 3.31Å; Q478-F519 VanDerWaalsContact OE1-O 3.09Å; F519-W521 PolarHBondContact O-N 2.94Å; F519-L524 HydrophobicContact CB-CD1 3.83Å; F519-L524 HydrophobicContact CG-CD1 4.39Å; F519-A540 CarbonylContact C-O 3.55Å; F519-A540 WeakPolarHBondContact CA-O 3.45Å; F519-A540 HydrophobicContact CD1-CB 4.35Å; F519-E543 HydrophobicContact CE1-CG 4.07Å; F519-E543 HydrophobicContact CZ-CG 3.72Å; F519-I546 HydrophobicContact CD1-CD1 3.75Å; F519-I546 HydrophobicContact CD1-CG1 4.35Å; F519-I546 HydrophobicContact CD2-CD1 3.58Å; F519-I546 HydrophobicContact CE1-CD1 3.45Å; F519-I546 VanDerWaalsContact CE1-CD1 3.45Å; F519-I546 HydrophobicContact CE1-CG1 4.12Å; F519-I546 HydrophobicContact CE2-CD1 3.27Å; F519-I546 HydrophobicContact CG-CD1 3.82Å; F519-I546 HydrophobicContact CZ-CD1 3.21Å; F519-I546 HydrophobicContact CZ-CG1 4.28Å
520	C	93.3	Very high	80.6	Confident	4 Å²	4	68 Å²	68	3%	0.027	35%	0.354	C	S	.	.			trans	-76.7	110	173.2	-177.6	0	0	0	0	109.6	M522 S523 L524 C530 C537 F539 A540 H541	C520-M522 VanDerWaalsContact C-N 3.3Å; C520-M522 PolarHBondContact O-N 3.05Å; C520-S523 PolarHBondContact O-N 3.43Å; C520-S523 PolarHBondContact SG-N 3.41Å; C520-S523 VanDerWaalsContact SG-N 3.4Å; C520-L524 WeakPolarHBondContact O-CG 3.22Å; C520-L524 PolarHBondContact O-N 2.69Å; C520-C530 VanDerWaalsContact SG-SG 3.67Å; C520-C537 VanDerWaalsContact SG-SG 3.68Å; C520-F539 HydrophobicContact CB-CB 3.62Å; C520-A540 WeakPolarHBondContact CB-O 3.5Å; C520-A540 PolarHBondContact N-O 2.89Å; C520-H541 VanDerWaalsContact CB-CD2 3.43Å; C520-H541 WeakPolarHBondContact CB-CD2 3.35Å
521	W	94	Very high	82.7	Confident	29 Å²	29	62.2 Å²	62.2	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-40.1	179	-170.3	95.2	0	0	0	111.7	H402 F405 H476 Q478 C479 F519 S523 L524 N525	H402-W521 AromaticContact CE1-CZ2 3.75Å; H402-W521 AromaticContact NE2-CZ2 3.72Å; F405-W521 HydrophobicContact CB-CH2 4.09Å; F405-W521 AromaticContact CD1-CH2 3.78Å; F405-W521 HydrophobicContact CD1-CH2 3.78Å; F405-W521 HydrophobicContact CD1-CZ3 4.33Å; F405-W521 AromaticContact CD2-CH2 3.83Å; F405-W521 HydrophobicContact CD2-CH2 3.83Å; F405-W521 AromaticContact CD2-CZ3 3.75Å; F405-W521 HydrophobicContact CD2-CZ3 3.75Å; F405-W521 HydrophobicContact CE1-CH2 4.15Å; F405-W521 HydrophobicContact CE1-CZ3 4.36Å; F405-W521 HydrophobicContact CE2-CH2 4.22Å; F405-W521 AromaticContact CE2-CZ3 3.81Å; F405-W521 HydrophobicContact CE2-CZ3 3.81Å; F405-W521 AromaticContact CG-CH2 3.61Å; F405-W521 HydrophobicContact CG-CH2 3.61Å; F405-W521 HydrophobicContact CG-CZ3 4.03Å; F405-W521 HydrophobicContact CZ-CH2 4.36Å; F405-W521 HydrophobicContact CZ-CZ3 4.12Å; H476-W521 AromaticContact CE1-CD1 3.81Å; H476-W521 AromaticContact CE1-CD2 3.92Å; H476-W521 AromaticContact CE1-CE2 3.5Å; H476-W521 AromaticContact CE1-CZ2 3.98Å; H476-W521 AromaticContact CE1-NE1 3.41Å; H476-W521 PolarHBondContact CE1-NE1 2.95Å; H476-W521 AromaticContact NE2-CD1 3.41Å; H476-W521 AromaticContact NE2-CD2 3.73Å; H476-W521 AromaticContact NE2-CE2 3.75Å; H476-W521 AromaticContact NE2-CG 3.54Å; H476-W521 AromaticContact NE2-NE1 3.53Å; Q478-W521 HydrophobicContact CB-CB 3.89Å; C479-W521 HydrophobicContact CB-CD2 4.25Å; C479-W521 HydrophobicContact CB-CE3 3.76Å; C479-W521 HydrophobicContact CB-CH2 4.47Å; C479-W521 HydrophobicContact CB-CZ3 3.9Å; C479-W521 WeakPolarHBondContact SG-CZ3 3.2Å; F519-W521 PolarHBondContact O-N 2.94Å; W521-S523 PolarHBondContact O-N 3.46Å; W521-L524 PolarHBondContact O-N 3.17Å; W521-N525 HydrophobicContact CD2-CB 4.1Å; W521-N525 VanDerWaalsContact CE2-ND2 3.3Å; W521-N525 HydrophobicContact CE3-CB 4.02Å; W521-N525 HydrophobicContact CH2-CB 3.59Å; W521-N525 HydrophobicContact CZ2-CB 3.68Å; W521-N525 HydrophobicContact CZ3-CB 3.76Å; W521-N525 PolarHBondContact NE1-ND2 2.91Å; W521-N525 WeakPolarHBondContact O-CB 3.26Å; W521-N525 PolarHBondContact O-N 3.39Å; W521-N525 PolarHBondContact O-ND2 3.1Å
522	M	94.3	Very high	84.8	Confident	7 Å²	7	57.1 Å²	57.1	3%	0.034	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-40.3	176.7	-69.5	-59	-160.4	0	0	111.9	F405 C479 L489 C520 L524 N525 H526	F405-M522 HydrophobicContact CE2-SD 4.17Å; C479-M522 HydrophobicContact CB-CE 4.48Å; C479-M522 VanDerWaalsContact O-CE 3.31Å; C479-M522 WeakPolarHBondContact O-CE 3.45Å; L489-M522 HydrophobicContact CB-CE 4.15Å; L489-M522 HydrophobicContact CD2-CE 4.31Å; C520-M522 VanDerWaalsContact C-N 3.3Å; C520-M522 PolarHBondContact O-N 3.05Å; M522-L524 PolarHBondContact O-N 3.44Å; M522-N525 PolarHBondContact O-N 3.26Å; M522-H526 WeakPolarHBondContact O-CB 3.39Å; M522-H526 PolarHBondContact O-N 3.15Å; M522-H526 HydrophobicContact SD-CB 4.47Å
523	S	93.6	Very high	86.7	Confident	38 Å²	38	56.3 Å²	56.3	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-32.7	176.5	-165.9	0	0	0	0	112.6	C520 W521	C520-S523 PolarHBondContact O-N 3.43Å; C520-S523 PolarHBondContact SG-N 3.41Å; C520-S523 VanDerWaalsContact SG-N 3.4Å; W521-S523 PolarHBondContact O-N 3.46Å
524	L	92.9	Very high	88.4	Confident	110 Å²	110	47.7 Å²	47.7	58%	0.576	25%	0.246	S	C	*	.	H	α-helix	trans	-85.5	-29.1	-177.7	-68	174.8	0	0	0	113.9	F519 C520 W521 M522	F519-L524 HydrophobicContact CB-CD1 3.83Å; F519-L524 HydrophobicContact CG-CD1 4.39Å; C520-L524 WeakPolarHBondContact O-CG 3.22Å; C520-L524 PolarHBondContact O-N 2.69Å; W521-L524 PolarHBondContact O-N 3.17Å; M522-L524 PolarHBondContact O-N 3.44Å
525	N	94.3	Very high	89.7	Confident	55 Å²	55	51.5 Å²	51.5	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-122.3	-19.7	-166.9	-60.2	-82.6	0	0	0	114.2	H402 F405 W521 M522	H402-N525 PolarHBondContact NE2-OD1 3.22Å; H402-N525 VanDerWaalsContact NE2-OD1 3.1Å; F405-N525 WeakPolarHBondContact CE1-O 3.41Å; W521-N525 HydrophobicContact CD2-CB 4.1Å; W521-N525 VanDerWaalsContact CE2-ND2 3.3Å; W521-N525 HydrophobicContact CE3-CB 4.02Å; W521-N525 HydrophobicContact CH2-CB 3.59Å; W521-N525 HydrophobicContact CZ2-CB 3.68Å; W521-N525 HydrophobicContact CZ3-CB 3.76Å; W521-N525 PolarHBondContact NE1-ND2 2.91Å; W521-N525 WeakPolarHBondContact O-CB 3.26Å; W521-N525 PolarHBondContact O-N 3.39Å; W521-N525 PolarHBondContact O-ND2 3.1Å; M522-N525 PolarHBondContact O-N 3.26Å
526	H	95.9	Very high	90.6	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.042	24%	0.242	C	C	.	.			trans	-79.3	133.1	178.3	-166.4	-78.8	0	0	0	110.4	F405 L409 W439 N440 M522 D528 G529	F405-H526 AromaticContact CE2-CD2 3.84Å; F405-H526 HydrophobicContact CZ-CB 4.06Å; F405-H526 AromaticContact CZ-CD2 3.63Å; L409-H526 VanDerWaalsContact CD2-NE2 3.34Å; L409-H526 WeakPolarHBondContact CD2-NE2 3.26Å; W439-H526 AromaticContact CD1-CE1 3.78Å; W439-H526 AromaticContact CD1-ND1 3.86Å; W439-H526 AromaticContact CE2-CE1 3.67Å; W439-H526 AromaticContact CE2-NE2 3.67Å; W439-H526 AromaticContact CZ2-CD2 3.84Å; W439-H526 AromaticContact CZ2-NE2 3.69Å; W439-H526 AromaticContact NE1-CD2 3.96Å; W439-H526 AromaticContact NE1-CE1 3.32Å; W439-H526 PolarHBondContact NE1-CE1 3.02Å; W439-H526 VanDerWaalsContact NE1-CE1 3.32Å; W439-H526 AromaticContact NE1-CG 3.75Å; W439-H526 AromaticContact NE1-ND1 3.31Å; W439-H526 PolarHBondContact NE1-ND1 2.92Å; W439-H526 AromaticContact NE1-NE2 3.73Å; N440-H526 PolarHBondContact O-CE1 2.87Å; N440-H526 PolarHBondContact O-NE2 3.32Å; M522-H526 WeakPolarHBondContact O-CB 3.39Å; M522-H526 PolarHBondContact O-N 3.15Å; M522-H526 HydrophobicContact SD-CB 4.47Å; H526-D528 IonicContact CE1-OD2 2.74Å; H526-D528 PolarHBondContact CE1-OD2 2.88Å; H526-D528 PolarHBondContact ND1-N 2.82Å; H526-D528 PolarHBondContact O-N 3.22Å; H526-G529 WeakPolarHBondContact CB-O 3.35Å; H526-G529 PolarHBondContact ND1-O 3.01Å; H526-G529 PolarHBondContact O-N 2.8Å
527	P	95.5	Very high	90.8	Very high	96 Å²	96	44.8 Å²	44.8	62%	0.623	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.6	-178	23.4	-33.9	0	0	0	112.6	L409	L409-P527 HydrophobicContact CD1-CG 3.92Å
528	D	94.6	Very high	90.9	Very high	38 Å²	38	45.1 Å²	45.1	20%	0.203	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	14.2	175.1	-47.7	-45.9	0	0	0	113.1	R437 W439 N440 H526	R437-D528 PolarHBondContact NH1-O 3.18Å; W439-D528 HydrophobicContact CB-CB 4.48Å; W439-D528 HydrophobicContact CG-CB 4.31Å; N440-D528 WeakPolarHBondContact CB-OD2 3.29Å; N440-D528 PolarHBondContact N-OD2 3.37Å; H526-D528 IonicContact CE1-OD2 2.74Å; H526-D528 PolarHBondContact CE1-OD2 2.88Å; H526-D528 PolarHBondContact ND1-N 2.82Å; H526-D528 PolarHBondContact O-N 3.22Å
529	G	93.6	Very high	90.9	Very high	16 Å²	16	41.7 Å²	41.7	17%	0.165	22%	0.224	C	C	.	.			trans	66.4	-162.2	-177.5	0	0	0	0	0	115	W439 H526	W439-G529 PolarHBondContact NE1-O 3.33Å; H526-G529 WeakPolarHBondContact CB-O 3.35Å; H526-G529 PolarHBondContact ND1-O 3.01Å; H526-G529 PolarHBondContact O-N 2.8Å
530	C	93	Very high	90.8	Very high	6 Å²	6	38 Å²	38	4%	0.041	21%	0.208	C	C	.	.			trans	-69.2	141.2	177.8	-169.5	0	0	0	0	111.1	R437 C520 Y532 H541	R437-C530 PolarHBondContact NH2-O 3.42Å; R437-C530 VanDerWaalsContact NH2-O 3.16Å; C520-C530 VanDerWaalsContact SG-SG 3.67Å; C530-Y532 PolarHBondContact O-N 3.14Å; C530-H541 WeakPolarHBondContact CB-CE1 3.37Å; C530-H541 WeakPolarHBondContact CB-NE2 3.36Å; C530-H541 PolarHBondContact SG-NE2 2.76Å; C530-H541 VanDerWaalsContact SG-NE2 3.4Å
531	P	91.2	Very high	90.8	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.032	22%	0.216	C	C	.	.	S	Bend	trans	-65.3	-14.1	172.3	23.4	-32.5	0	0	0	113.8	W439 W491 M496	W439-P531 HydrophobicContact CD2-CB 3.74Å; W439-P531 HydrophobicContact CE3-CB 3.93Å; W439-P531 HydrophobicContact CG-CB 4.3Å; W439-P531 HydrophobicContact CH2-CB 4.06Å; W439-P531 HydrophobicContact CH2-CG 4Å; W439-P531 HydrophobicContact CZ2-CB 3.88Å; W439-P531 HydrophobicContact CZ2-CG 3.73Å; W439-P531 HydrophobicContact CZ3-CB 4.04Å; W439-P531 HydrophobicContact CZ3-CG 4.46Å; W491-P531 HydrophobicContact CB-CG 4.21Å; M496-P531 HydrophobicContact CE-CB 3.85Å; M496-P531 WeakPolarHBondContact CE-O 3.25Å; M496-P531 HydrophobicContact SD-CB 3.61Å
532	Y	89.4	Confident	90.6	Very high	26 Å²	26	41 Å²	41	10%	0.102	23%	0.228	C	C	.	.	S	Bend	trans	-111.5	153.6	-178.1	-51.1	-50.8	0	0	0	111.3	L492 K495 M496 C530 H541	L492-Y532 WeakPolarHBondContact CA-OH 3.35Å; L492-Y532 VanDerWaalsContact CB-OH 3.29Å; L492-Y532 WeakPolarHBondContact CB-OH 3.39Å; L492-Y532 PolarHBondContact N-OH 3.36Å; L492-Y532 PolarHBondContact O-OH 3.06Å; K495-Y532 HydrophobicContact CB-CD1 3.92Å; K495-Y532 HydrophobicContact CB-CE1 3.36Å; K495-Y532 HydrophobicContact CD-CD1 4.34Å; K495-Y532 HydrophobicContact CD-CE1 3.94Å; K495-Y532 HydrophobicContact CD-CE2 4.37Å; K495-Y532 HydrophobicContact CG-CE1 4.28Å; M496-Y532 HydrophobicContact CG-CD1 4.27Å; M496-Y532 HydrophobicContact CG-CE1 3.89Å; C530-Y532 PolarHBondContact O-N 3.14Å; Y532-H541 PolarHBondContact O-CE1 3.48Å
533	T	86	Confident	90.2	Very high	32 Å²	32	48.3 Å²	48.3	20%	0.196	26%	0.262	C	S	.	.			trans	-66.6	163.5	162.8	70.6	0	0	0	0	109.8	D435 E535 L536 C537	D435-T533 HydrophobicContact CB-CG2 4.34Å; T533-E535 WeakPolarHBondContact CB-OE2 3.44Å; T533-E535 PolarHBondContact O-N 2.81Å; T533-E535 PolarHBondContact OG1-OE2 2.92Å; T533-L536 PolarHBondContact O-N 2.93Å; T533-L536 VanDerWaalsContact O-N 3.14Å; T533-C537 PolarHBondContact O-N 2.89Å
534	S	86.4	Confident	89.8	Confident	28 Å²	28	53.1 Å²	53.1	20%	0.196	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.9	179.7	174.6	0	0	0	0	112	K516 L536 C537 E545	K516-S534 WeakPolarHBondContact CE-O 3.48Å; K516-S534 PolarHBondContact NZ-O 3.46Å; K516-S534 PolarHBondContact NZ-OG 3.47Å; S534-L536 VanDerWaalsContact C-N 3.27Å; S534-L536 PolarHBondContact O-N 2.93Å; S534-C537 PolarHBondContact O-N 2.81Å; S534-E545 WeakPolarHBondContact CB-OE1 3.48Å; S534-E545 PolarHBondContact OG-OE1 2.78Å; S534-E545 PolarHBondContact OG-OE2 2.92Å
535	E	82.6	Confident	89.4	Confident	153 Å²	153	49.7 Å²	49.7	72%	0.715	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-28.6	-178.1	-52.9	79.3	-167.8	0	0	112.8	T533	T533-E535 WeakPolarHBondContact CB-OE2 3.44Å; T533-E535 PolarHBondContact O-N 2.81Å; T533-E535 PolarHBondContact OG1-OE2 2.92Å
536	L	82.9	Confident	88.9	Confident	32 Å²	32	50 Å²	50	17%	0.168	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-15.6	-176.7	-66.3	174.5	0	0	0	113.5	L434 K495 T533 S534	L434-L536 HydrophobicContact CD1-CD1 3.27Å; K495-L536 PolarHBondContact NZ-O 3.18Å; K495-L536 VanDerWaalsContact NZ-O 3.13Å; T533-L536 PolarHBondContact O-N 2.93Å; T533-L536 VanDerWaalsContact O-N 3.14Å; S534-L536 VanDerWaalsContact C-N 3.27Å; S534-L536 PolarHBondContact O-N 2.93Å
537	C	87	Confident	88.1	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.054	29%	0.287	C	S	.	.			trans	-82.4	133.3	177.7	-168.7	0	0	0	0	111.7	K516 C520 T533 S534 F539 H541	K516-C537 WeakPolarHBondContact CE-O 3.5Å; C520-C537 VanDerWaalsContact SG-SG 3.68Å; T533-C537 PolarHBondContact O-N 2.89Å; S534-C537 PolarHBondContact O-N 2.81Å; C537-F539 PolarHBondContact O-N 3.01Å; C537-F539 PolarHBondContact SG-N 2.8Å; C537-H541 VanDerWaalsContact CB-NE2 3.28Å; C537-H541 WeakPolarHBondContact CB-NE2 3.29Å; C537-H541 PolarHBondContact SG-NE2 2.88Å
538	D	86.2	Confident	86.7	Confident	58 Å²	58	55.3 Å²	55.3	31%	0.31	30%	0.295	S	S	.	.	S	Bend	trans	-75.8	-0.6	177.8	-59.9	-59.5	0	0	0	113.2	K495 N514	K495-D538 IonicContact NZ-OD2 3.37Å; K495-D538 PolarHBondContact NZ-OD2 2.87Å; K495-D538 VanDerWaalsContact NZ-OD2 3.1Å; N514-D538 PolarHBondContact ND2-OD1 3.46Å
539	F	90.1	Very high	84.9	Confident	48 Å²	48	61.4 Å²	61.4	21%	0.211	32%	0.32	C	S	.	.	S	Bend	trans	-127	155.5	-176.2	-55.7	-76.1	0	0	0	111.5	H477 Q478 K516 K518 C520 C537	H477-F539 AromaticContact NE2-CZ 3.74Å; Q478-F539 HydrophobicContact CG-CD1 4.42Å; Q478-F539 HydrophobicContact CG-CD2 4.41Å; Q478-F539 HydrophobicContact CG-CE1 3.9Å; Q478-F539 HydrophobicContact CG-CE2 3.88Å; Q478-F539 HydrophobicContact CG-CZ 3.61Å; K516-F539 VanDerWaalsContact CE-O 3.28Å; K516-F539 WeakPolarHBondContact CE-O 3.39Å; K518-F539 HydrophobicContact CB-CD1 4.42Å; C520-F539 HydrophobicContact CB-CB 3.62Å; C537-F539 PolarHBondContact O-N 3.01Å; C537-F539 PolarHBondContact SG-N 2.8Å
540	A	90.8	Very high	82.7	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.008	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-72.7	129.8	-179.4	0	0	0	0	0	112.2	K516 K518 F519 C520 E545 I546	K516-A540 HydrophobicContact CB-CB 4.22Å; K516-A540 HydrophobicContact CD-CB 4.5Å; K518-A540 PolarHBondContact O-N 3.46Å; F519-A540 CarbonylContact C-O 3.55Å; F519-A540 WeakPolarHBondContact CA-O 3.45Å; F519-A540 HydrophobicContact CD1-CB 4.35Å; C520-A540 WeakPolarHBondContact CB-O 3.5Å; C520-A540 PolarHBondContact N-O 2.89Å; A540-E545 WeakPolarHBondContact CA-OE2 3.36Å; A540-E545 HydrophobicContact CB-CB 3.76Å; A540-I546 HydrophobicContact CB-CD1 4.41Å; A540-I546 HydrophobicContact CB-CG1 3.46Å; A540-I546 VanDerWaalsContact CB-CG1 3.46Å
541	H	92.1	Very high	80.3	Confident	41 Å²	41	70 Å²	70	19%	0.19	36%	0.36	C	S	.	.	S	Bend	trans	-88.7	-22.2	173.5	-71	-169.3	0	0	0	112.3	C520 C530 Y532 C537 E545	C520-H541 VanDerWaalsContact CB-CD2 3.43Å; C520-H541 WeakPolarHBondContact CB-CD2 3.35Å; C530-H541 WeakPolarHBondContact CB-CE1 3.37Å; C530-H541 WeakPolarHBondContact CB-NE2 3.36Å; C530-H541 PolarHBondContact SG-NE2 2.76Å; C530-H541 VanDerWaalsContact SG-NE2 3.4Å; Y532-H541 PolarHBondContact O-CE1 3.48Å; C537-H541 VanDerWaalsContact CB-NE2 3.28Å; C537-H541 WeakPolarHBondContact CB-NE2 3.29Å; C537-H541 PolarHBondContact SG-NE2 2.88Å; H541-E545 PolarHBondContact N-OE2 3.12Å
542	C	89.2	Confident	78.1	Confident	53 Å²	53	74.9 Å²	74.9	36%	0.358	39%	0.392	S	S	.	.	S	Bend	trans	-145.7	166.8	176.4	40.5	0	0	0	0	111.4	N544 E545	C542-N544 VanDerWaalsContact C-N 3.33Å; C542-N544 WeakPolarHBondContact CB-OD1 3.39Å; C542-N544 PolarHBondContact O-N 3.06Å; C542-N544 PolarHBondContact SG-OD1 2.64Å; C542-E545 WeakPolarHBondContact O-CB 3.21Å; C542-E545 PolarHBondContact O-N 3.48Å; C542-E545 VanDerWaalsContact O-N 3.08Å; C542-E545 PolarHBondContact SG-OE1 2.97Å; C542-E545 VanDerWaalsContact SG-OE1 3.36Å
543	E	85.9	Confident	76.1	Confident	162 Å²	162	82.5 Å²	82.5	76%	0.757	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-58.9	-39.7	-171.7	-81.9	176.9	-176.2	0	0	113.8	F519 E545 I546	F519-E543 HydrophobicContact CE1-CG 4.07Å; F519-E543 HydrophobicContact CZ-CG 3.72Å; E543-E545 PolarHBondContact O-N 3.22Å; E543-E545 VanDerWaalsContact O-N 3.14Å; E543-I546 PolarHBondContact O-N 2.85Å
544	N	85.1	Confident	73.9	Confident	139 Å²	139	89.7 Å²	89.7	74%	0.743	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-64.9	-13.7	178.4	62.3	-25.2	0	0	0	113.8	C542	C542-N544 VanDerWaalsContact C-N 3.33Å; C542-N544 WeakPolarHBondContact CB-OD1 3.39Å; C542-N544 PolarHBondContact O-N 3.06Å; C542-N544 PolarHBondContact SG-OD1 2.64Å
545	E	85.7	Confident	71.3	Confident	38 Å²	38	99 Å²	99	18%	0.178	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-91.4	-9.4	175.7	-59.7	179.6	-176.8	0	0	113.2	K516 S534 A540 H541 C542 E543 L547	K516-E545 VanDerWaalsContact CB-O 3.26Å; K516-E545 WeakPolarHBondContact CB-O 3.01Å; K516-E545 HydrophobicContact CD-CB 4.02Å; K516-E545 IonicContact NZ-OE2 3.33Å; K516-E545 PolarHBondContact NZ-OE2 2.98Å; S534-E545 WeakPolarHBondContact CB-OE1 3.48Å; S534-E545 PolarHBondContact OG-OE1 2.78Å; S534-E545 PolarHBondContact OG-OE2 2.92Å; A540-E545 WeakPolarHBondContact CA-OE2 3.36Å; A540-E545 HydrophobicContact CB-CB 3.76Å; H541-E545 PolarHBondContact N-OE2 3.12Å; C542-E545 WeakPolarHBondContact O-CB 3.21Å; C542-E545 PolarHBondContact O-N 3.48Å; C542-E545 VanDerWaalsContact O-N 3.08Å; C542-E545 PolarHBondContact SG-OE1 2.97Å; C542-E545 VanDerWaalsContact SG-OE1 3.36Å; E543-E545 PolarHBondContact O-N 3.22Å; E543-E545 VanDerWaalsContact O-N 3.14Å; E545-L547 PolarHBondContact O-N 2.8Å
546	I	84	Confident	70.7	Confident	60 Å²	60	96.4 Å²	96.4	31%	0.308	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-75	119.7	-179.8	-67.8	-172.6	0	0	0	110.6	K516 F519 A540 E543	K516-I546 CarbonylContact O-C 3.56Å; K516-I546 VanDerWaalsContact O-CA 3.3Å; K516-I546 WeakPolarHBondContact O-CA 3.42Å; F519-I546 HydrophobicContact CD1-CD1 3.75Å; F519-I546 HydrophobicContact CD1-CG1 4.35Å; F519-I546 HydrophobicContact CD2-CD1 3.58Å; F519-I546 HydrophobicContact CE1-CD1 3.45Å; F519-I546 VanDerWaalsContact CE1-CD1 3.45Å; F519-I546 HydrophobicContact CE1-CG1 4.12Å; F519-I546 HydrophobicContact CE2-CD1 3.27Å; F519-I546 HydrophobicContact CG-CD1 3.82Å; F519-I546 HydrophobicContact CZ-CD1 3.21Å; F519-I546 HydrophobicContact CZ-CG1 4.28Å; A540-I546 HydrophobicContact CB-CD1 4.41Å; A540-I546 HydrophobicContact CB-CG1 3.46Å; A540-I546 VanDerWaalsContact CB-CG1 3.46Å; E543-I546 PolarHBondContact O-N 2.85Å
547	L	78.8	Confident	70.1	Confident	89 Å²	89	99.7 Å²	99.7	47%	0.466	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-94.6	118.4	173.7	-64.3	171.6	0	0	0	109.7	R515 K516 T517 E545 K549	R515-L547 HydrophobicContact CB-CD1 4.37Å; K516-L547 PolarHBondContact O-N 3.43Å; T517-L547 WeakPolarHBondContact CG2-O 3.31Å; E545-L547 PolarHBondContact O-N 2.8Å; L547-K549 PolarHBondContact O-N 2.84Å
548	T	66.7	Low	69.2	Low	129 Å²	129	104.8 Å²	104.8	79%	0.791	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-61.1	131.1	170.9	23.2	0	0	0	0	110.5	I550	T548-I550 PolarHBondContact O-N 3Å
549	K	56	Low	68.2	Low	166 Å²	166	107.6 Å²	107.6	72%	0.722	54%	0.538	S	S	*	.			trans	-63.1	107.2	174.1	-83.1	-172.6	174.4	-176.3	0	109.5	T517 L547 D551	T517-K549 HydrophobicContact CG2-CG 3.61Å; L547-K549 PolarHBondContact O-N 2.84Å; K549-D551 PolarHBondContact O-N 3.13Å
550	I	46.8	Very low	66.8	Low	109 Å²	109	111.3 Å²	111.3	56%	0.559	56%	0.558	S	S	*	*			trans	-73.2	121	163.7	-55.6	175.3	0	0	0	107.1	T548	T548-I550 PolarHBondContact O-N 3Å
551	D	43.6	Very low	65.2	Low	93 Å²	93	118.7 Å²	118.7	50%	0.497	60%	0.595	S	S	.	*			trans	-65.6	123	179.3	-161.5	-16.8	0	0	0	109.9	K549 K553 K554	K549-D551 PolarHBondContact O-N 3.13Å; D551-K553 PolarHBondContact O-N 3.32Å; D551-K554 PolarHBondContact O-N 3.17Å; D551-K554 VanDerWaalsContact O-N 3.14Å
552	P	44.6	Very low	63.3	Low	108 Å²	108	124.2 Å²	124.2	70%	0.701	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-61.1	-11.4	-179.8	-21.2	31.8	0	0	0	114.3	K554	P552-K554 VanDerWaalsContact C-N 3.31Å
553	K	48.6	Very low	61.3	Low	186 Å²	186	129.7 Å²	129.7	81%	0.809	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-84	2.5	176.7	-67.9	-173.2	176.1	-175.1	0	114.7	D551	D551-K553 PolarHBondContact O-N 3.32Å
554	K	39.2	Very low	59.2	Low	183 Å²	183	127 Å²	127	80%	0.796	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-115.5	18.1	178.2	-73.8	-170	175.3	-175.2	0	113.9	D551 P552	D551-K554 PolarHBondContact O-N 3.17Å; D551-K554 VanDerWaalsContact O-N 3.14Å; P552-K554 VanDerWaalsContact C-N 3.31Å
555	Q	31.7	Very low	56.9	Low	224 Å²	224	125.9 Å²	125.9	100%	1.047	63%	0.625	S	S	*	*			trans	-116.5	0	161.1	-76.7	-178.1	-11.8	0	0	107.7

Retrieved 555 of 555 residues in 826.3 ms (Link to these results)

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