A0A087X954_POEFO Loading...

RWD domain containing 2B

AlphaFold DB (A0A3B3VIB3), UniProt , Accession A0A087X954, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 300 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	60.2	Low	86.1	Confident	124 Å²	124	49 Å²	49	61%	0.611	25%	0.246	S	C	*	.				0	135.4	0	-82.6	-179.4	-91.2	0	0	108.8	E5 W6 P85	M1-E5 VanDerWaalsContact C-OE2 3.28Å; M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CB-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 4.25Å; M1-W6 HydrophobicContact CB-CG 4.48Å; M1-W6 HydrophobicContact CB-CZ2 4.42Å; M1-P85 HydrophobicContact CE-CG 4.34Å
2	S	83.1	Confident	86.6	Confident	60 Å²	60	49.3 Å²	49.3	42%	0.42	26%	0.262	S	S	.	.			trans	-74.4	162.8	169.2	74.4	0	0	0	0	110.2	M4 E5 W6	S2-M4 PolarHBondContact O-N 3.25Å; S2-M4 PolarHBondContact OG-N 2.71Å; S2-E5 PolarHBondContact N-OE2 3.06Å; S2-E5 PolarHBondContact O-N 2.97Å; S2-E5 VanDerWaalsContact O-N 3.16Å; S2-E5 PolarHBondContact OG-N 3.08Å; S2-W6 PolarHBondContact O-N 2.93Å
3	Y	84.4	Confident	87.1	Confident	55 Å²	55	46.2 Å²	46.2	22%	0.216	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-32.1	175.7	-165.2	-82.3	0	0	0	112.8	W6 A7 Y41 P51 P52 R55 S82	Y3-W6 HydrophobicContact CD2-CE3 4.11Å; Y3-W6 HydrophobicContact CD2-CZ3 4.33Å; Y3-A7 PolarHBondContact O-N 2.91Å; Y3-Y41 AromaticContact CD1-CE1 3.85Å; Y3-Y41 HydrophobicContact CD1-CE1 3.85Å; Y3-Y41 HydrophobicContact CE1-CE1 4.09Å; Y3-P51 HydrophobicContact CD1-CB 3.53Å; Y3-P51 HydrophobicContact CD2-CB 4.31Å; Y3-P51 HydrophobicContact CE1-CB 2.97Å; Y3-P51 HydrophobicContact CE1-CG 4.24Å; Y3-P51 HydrophobicContact CE2-CB 3.83Å; Y3-P51 HydrophobicContact CE2-CG 4.45Å; Y3-P51 HydrophobicContact CG-CB 4.17Å; Y3-P51 WeakPolarHBondContact OH-CB 3.14Å; Y3-P52 PolarHBondContact OH-O 2.87Å; Y3-R55 PolarHBondContact OH-NH1 3.41Å; Y3-R55 PolarHBondContact OH-NH2 3.08Å; Y3-R55 VanDerWaalsContact OH-NH2 3.07Å; Y3-S82 WeakPolarHBondContact OH-CB 3.48Å; Y3-S82 PolarHBondContact OH-OG 3.03Å
4	M	87.1	Confident	87.3	Confident	33 Å²	33	43 Å²	43	16%	0.163	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-47.9	177	-176.1	65.3	-168	0	0	111.4	S2 W6 A7 E8 Y41 V42 S45	S2-M4 PolarHBondContact O-N 3.25Å; S2-M4 PolarHBondContact OG-N 2.71Å; M4-W6 VanDerWaalsContact C-N 3.26Å; M4-W6 PolarHBondContact O-N 3.38Å; M4-A7 WeakPolarHBondContact O-CB 3.48Å; M4-A7 PolarHBondContact O-N 2.7Å; M4-E8 HydrophobicContact CE-CG 3.9Å; M4-E8 VanDerWaalsContact CE-OE1 3.24Å; M4-E8 WeakPolarHBondContact CE-OE1 3.35Å; M4-E8 WeakPolarHBondContact O-CG 3.42Å; M4-E8 PolarHBondContact O-N 3.04Å; M4-Y41 HydrophobicContact SD-CD1 4.49Å; M4-Y41 HydrophobicContact SD-CE1 4.01Å; M4-V42 HydrophobicContact CE-CB 4.4Å; M4-V42 HydrophobicContact CE-CG1 4.23Å; M4-V42 WeakPolarHBondContact CE-O 3.36Å; M4-S45 VanDerWaalsContact CE-OG 3.27Å; M4-S45 WeakPolarHBondContact CE-OG 3.48Å
5	E	87.1	Confident	87.5	Confident	89 Å²	89	45.7 Å²	45.7	42%	0.416	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-34.7	179.2	-67.5	169.5	144.7	0	0	111.7	M1 S2 S9	M1-E5 VanDerWaalsContact C-OE2 3.28Å; M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CB-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 4.25Å; S2-E5 PolarHBondContact N-OE2 3.06Å; S2-E5 PolarHBondContact O-N 2.97Å; S2-E5 VanDerWaalsContact O-N 3.16Å; S2-E5 PolarHBondContact OG-N 3.08Å; E5-S9 WeakPolarHBondContact O-CB 3.42Å; E5-S9 PolarHBondContact O-N 2.98Å; E5-S9 PolarHBondContact O-OG 2.88Å
6	W	90.3	Very high	87.6	Confident	44 Å²	44	48.7 Å²	48.7	17%	0.167	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-46.4	171.3	-65.6	-27.2	0	0	0	111.9	M1 S2 Y3 M4 E8 S9 Q10 E83 S86	M1-W6 HydrophobicContact CB-CG 4.48Å; M1-W6 HydrophobicContact CB-CZ2 4.42Å; S2-W6 PolarHBondContact O-N 2.93Å; Y3-W6 HydrophobicContact CD2-CE3 4.11Å; Y3-W6 HydrophobicContact CD2-CZ3 4.33Å; M4-W6 VanDerWaalsContact C-N 3.26Å; M4-W6 PolarHBondContact O-N 3.38Å; W6-E8 PolarHBondContact O-N 3.35Å; W6-S9 PolarHBondContact O-N 2.93Å; W6-Q10 WeakPolarHBondContact O-CB 3.49Å; W6-Q10 WeakPolarHBondContact O-CG 3.37Å; W6-Q10 PolarHBondContact O-N 2.71Å; W6-E83 HydrophobicContact CE3-CB 4.29Å; W6-E83 HydrophobicContact CH2-CB 4.27Å; W6-E83 HydrophobicContact CH2-CG 4.29Å; W6-E83 HydrophobicContact CZ3-CB 4.04Å; W6-E83 HydrophobicContact CZ3-CG 3.92Å; W6-S86 VanDerWaalsContact CZ2-OG 3.31Å; W6-S86 WeakPolarHBondContact CZ2-OG 3.48Å
7	A	90.4	Very high	87.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-41.5	178.6	0	0	0	0	0	112.4	Y3 M4 Q10 L11 L38 Y41 V42	Y3-A7 PolarHBondContact O-N 2.91Å; M4-A7 WeakPolarHBondContact O-CB 3.48Å; M4-A7 PolarHBondContact O-N 2.7Å; A7-Q10 PolarHBondContact O-N 3.32Å; A7-L11 WeakPolarHBondContact O-CB 3.41Å; A7-L11 PolarHBondContact O-N 2.61Å; A7-L38 HydrophobicContact CB-CD1 3.67Å; A7-Y41 HydrophobicContact CB-CD1 3.8Å; A7-Y41 HydrophobicContact CB-CE1 3.85Å; A7-V42 HydrophobicContact CB-CG2 3.84Å
8	E	90.6	Very high	87.7	Confident	89 Å²	89	46.9 Å²	46.9	42%	0.416	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-46.9	174.1	-73.4	173.1	165.4	0	0	111.5	M4 W6 Q10 L11 A12 V42	M4-E8 HydrophobicContact CE-CG 3.9Å; M4-E8 VanDerWaalsContact CE-OE1 3.24Å; M4-E8 WeakPolarHBondContact CE-OE1 3.35Å; M4-E8 WeakPolarHBondContact O-CG 3.42Å; M4-E8 PolarHBondContact O-N 3.04Å; W6-E8 PolarHBondContact O-N 3.35Å; E8-Q10 PolarHBondContact O-N 2.91Å; E8-L11 PolarHBondContact O-N 3.49Å; E8-A12 WeakPolarHBondContact O-CB 3.44Å; E8-A12 PolarHBondContact O-N 2.73Å; E8-V42 HydrophobicContact CG-CG1 3.8Å; E8-V42 HydrophobicContact CG-CG2 4.3Å
9	S	90.3	Very high	87.7	Confident	34 Å²	34	49.5 Å²	49.5	24%	0.238	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-41.7	179.2	-56.9	0	0	0	0	111.7	E5 W6 A12 E13	E5-S9 WeakPolarHBondContact O-CB 3.42Å; E5-S9 PolarHBondContact O-N 2.98Å; E5-S9 PolarHBondContact O-OG 2.88Å; W6-S9 PolarHBondContact O-N 2.93Å; S9-A12 PolarHBondContact O-N 2.77Å; S9-E13 PolarHBondContact O-N 2.86Å
10	Q	92.1	Very high	87.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-46.9	176.2	-75.2	179.6	20.4	0	0	112.2	W6 A7 E8 E13 V14 L38 Y80 P81 S82 Y84	W6-Q10 WeakPolarHBondContact O-CB 3.49Å; W6-Q10 WeakPolarHBondContact O-CG 3.37Å; W6-Q10 PolarHBondContact O-N 2.71Å; A7-Q10 PolarHBondContact O-N 3.32Å; E8-Q10 PolarHBondContact O-N 2.91Å; Q10-E13 PolarHBondContact O-N 3.41Å; Q10-V14 WeakPolarHBondContact O-CG2 3.44Å; Q10-V14 PolarHBondContact O-N 2.8Å; Q10-V14 VanDerWaalsContact O-N 3.11Å; Q10-L38 HydrophobicContact CB-CD2 3.96Å; Q10-Y80 HydrophobicContact CB-CD2 3.89Å; Q10-Y80 HydrophobicContact CB-CE2 4.09Å; Q10-Y80 HydrophobicContact CG-CD2 3.78Å; Q10-Y80 HydrophobicContact CG-CE2 4.24Å; Q10-P81 PolarHBondContact NE2-O 2.83Å; Q10-S82 PolarHBondContact NE2-O 3.47Å; Q10-Y84 HydrophobicContact CG-CD1 3.81Å; Q10-Y84 HydrophobicContact CG-CE1 4.48Å; Q10-Y84 PolarHBondContact NE2-O 2.97Å
11	L	92.1	Very high	87.7	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-47.2	178.6	-179.6	63.3	0	0	0	110.7	A7 E8 E13 V14 E15 L35 L38 R39 V42	A7-L11 WeakPolarHBondContact O-CB 3.41Å; A7-L11 PolarHBondContact O-N 2.61Å; E8-L11 PolarHBondContact O-N 3.49Å; L11-E13 VanDerWaalsContact C-N 3.31Å; L11-E13 PolarHBondContact O-N 2.8Å; L11-V14 PolarHBondContact O-N 3.46Å; L11-E15 HydrophobicContact CD1-CG 4.32Å; L11-E15 WeakPolarHBondContact O-CG 3.21Å; L11-E15 PolarHBondContact O-N 3.12Å; L11-L35 HydrophobicContact CD1-CD1 3.86Å; L11-L38 HydrophobicContact CB-CD2 4.29Å; L11-L38 HydrophobicContact CB-CG 4.48Å; L11-R39 HydrophobicContact CD1-CB 4.09Å; L11-R39 HydrophobicContact CD2-CB 4.35Å; L11-R39 HydrophobicContact CD2-CG 4.33Å; L11-V42 HydrophobicContact CB-CG2 4.47Å; L11-V42 HydrophobicContact CD2-CB 3.9Å; L11-V42 HydrophobicContact CD2-CG1 3.91Å; L11-V42 HydrophobicContact CD2-CG2 4.1Å
12	A	91.6	Very high	88.7	Confident	53 Å²	53	48.8 Å²	48.8	44%	0.438	27%	0.272	S	S	.	.	H	α-helix	trans	-59.1	-41.2	178.8	0	0	0	0	0	112.3	E8 S9 L16	E8-A12 WeakPolarHBondContact O-CB 3.44Å; E8-A12 PolarHBondContact O-N 2.73Å; S9-A12 PolarHBondContact O-N 2.77Å; A12-L16 WeakPolarHBondContact O-CB 3.42Å; A12-L16 PolarHBondContact O-N 3.02Å
13	E	92.6	Very high	88.6	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-43.2	177	-164.7	180	-153.3	0	0	112.2	S9 Q10 L11 E15 L16 L17 Y80 Y84 L122 C123 V124	S9-E13 PolarHBondContact O-N 2.86Å; Q10-E13 PolarHBondContact O-N 3.41Å; L11-E13 VanDerWaalsContact C-N 3.31Å; L11-E13 PolarHBondContact O-N 2.8Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 3.42Å; E13-L16 PolarHBondContact O-N 3.18Å; E13-L17 HydrophobicContact CG-CD1 4.05Å; E13-L17 HydrophobicContact CG-CG 4.33Å; E13-L17 WeakPolarHBondContact O-CB 3.26Å; E13-L17 WeakPolarHBondContact O-CG 3.32Å; E13-L17 PolarHBondContact O-N 2.89Å; E13-Y80 PolarHBondContact OE2-OH 2.67Å; E13-Y84 PolarHBondContact OE1-OH 3.15Å; E13-Y84 WeakPolarHBondContact OE2-CE1 3.46Å; E13-Y84 PolarHBondContact OE2-OH 2.93Å; E13-L122 HydrophobicContact CB-CD1 4Å; E13-L122 HydrophobicContact CB-CD2 3.99Å; E13-L122 HydrophobicContact CB-CG 4.43Å; E13-L122 HydrophobicContact CG-CB 4.32Å; E13-L122 HydrophobicContact CG-CD1 4.42Å; E13-L122 HydrophobicContact CG-CD2 4.4Å; E13-C123 PolarHBondContact OE1-N 2.89Å; E13-V124 WeakPolarHBondContact OE1-CB 3.31Å; E13-V124 WeakPolarHBondContact OE1-CG2 3.47Å; E13-V124 PolarHBondContact OE1-N 3Å
14	V	91.1	Very high	87.8	Confident	2 Å²	2	54 Å²	54	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-41	178.5	172.7	0	0	0	0	111.2	Q10 L11 L17 T18 L29 L35 P56 F58 Y80	Q10-V14 WeakPolarHBondContact O-CG2 3.44Å; Q10-V14 PolarHBondContact O-N 2.8Å; Q10-V14 VanDerWaalsContact O-N 3.11Å; L11-V14 PolarHBondContact O-N 3.46Å; V14-L17 PolarHBondContact O-N 3.19Å; V14-T18 WeakPolarHBondContact O-CB 3.3Å; V14-T18 PolarHBondContact O-N 2.58Å; V14-T18 PolarHBondContact O-OG1 3.18Å; V14-L29 HydrophobicContact CG1-CD2 3.94Å; V14-L35 HydrophobicContact CB-CD1 4.41Å; V14-L35 HydrophobicContact CG1-CD1 3.92Å; V14-L35 HydrophobicContact CG1-CD2 4.11Å; V14-P56 HydrophobicContact CG2-CB 4.45Å; V14-F58 HydrophobicContact CG2-CE1 4.04Å; V14-Y80 HydrophobicContact CG2-CD2 4.45Å; V14-Y80 HydrophobicContact CG2-CE2 3.57Å
15	E	89.7	Confident	87.4	Confident	83 Å²	83	57.5 Å²	57.5	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-65.8	-41.9	177.1	-70.8	-178	162.8	0	0	111.8	L11 E13 T18 S19 R39	L11-E15 HydrophobicContact CD1-CG 4.32Å; L11-E15 WeakPolarHBondContact O-CG 3.21Å; L11-E15 PolarHBondContact O-N 3.12Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 3.42Å; E15-T18 PolarHBondContact O-N 2.73Å; E15-S19 PolarHBondContact O-N 3.14Å; E15-R39 IonicContact OE1-CZ 3.47Å; E15-R39 IonicContact OE1-NE 3.49Å; E15-R39 PolarHBondContact OE1-NE 2.89Å; E15-R39 IonicContact OE1-NH2 2.71Å; E15-R39 PolarHBondContact OE1-NH2 3.44Å
16	L	88.7	Confident	87.3	Confident	94 Å²	94	56.9 Å²	56.9	49%	0.492	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-50.4	172.8	175.6	63.7	0	0	0	111.2	A12 E13 T18 S19 M20	A12-L16 WeakPolarHBondContact O-CB 3.42Å; A12-L16 PolarHBondContact O-N 3.02Å; E13-L16 PolarHBondContact O-N 3.18Å; L16-T18 VanDerWaalsContact C-N 3.31Å; L16-T18 PolarHBondContact O-N 2.83Å; L16-S19 CarbonylContact O-C 3.51Å; L16-S19 WeakPolarHBondContact O-CB 3.29Å; L16-S19 PolarHBondContact O-N 3.16Å; L16-M20 HydrophobicContact CD1-CG 4.1Å; L16-M20 HydrophobicContact CD1-SD 4.07Å; L16-M20 HydrophobicContact CD2-SD 4.47Å; L16-M20 HydrophobicContact CG-CG 4.35Å; L16-M20 HydrophobicContact CG-SD 3.99Å; L16-M20 WeakPolarHBondContact O-CG 3.41Å; L16-M20 PolarHBondContact O-N 2.78Å
17	L	89	Confident	87.3	Confident	1 Å²	1	56 Å²	56	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-42.9	179	-69.4	167.8	0	0	0	111	E13 V14 S19 M20 F21 L27 F58 I60 V124 L125	E13-L17 HydrophobicContact CG-CD1 4.05Å; E13-L17 HydrophobicContact CG-CG 4.33Å; E13-L17 WeakPolarHBondContact O-CB 3.26Å; E13-L17 WeakPolarHBondContact O-CG 3.32Å; E13-L17 PolarHBondContact O-N 2.89Å; V14-L17 PolarHBondContact O-N 3.19Å; L17-S19 PolarHBondContact O-N 3.43Å; L17-M20 PolarHBondContact O-N 3.29Å; L17-M20 VanDerWaalsContact O-N 3.07Å; L17-F21 HydrophobicContact CB-CD2 4.47Å; L17-F21 HydrophobicContact CD2-CD2 4.36Å; L17-F21 HydrophobicContact CD2-CE2 3.83Å; L17-F21 VanDerWaalsContact O-CD2 3.24Å; L17-F21 WeakPolarHBondContact O-CD2 3.33Å; L17-F21 PolarHBondContact O-N 3.33Å; L17-L27 HydrophobicContact CB-CD1 3.64Å; L17-F58 HydrophobicContact CD1-CE2 3.85Å; L17-F58 HydrophobicContact CD1-CZ 3.72Å; L17-I60 HydrophobicContact CD2-CD1 4.13Å; L17-V124 HydrophobicContact CD1-CB 3.92Å; L17-V124 HydrophobicContact CD1-CG1 3.66Å; L17-V124 HydrophobicContact CD1-CG2 4.46Å; L17-V124 HydrophobicContact CD2-CB 4.5Å; L17-V124 HydrophobicContact CD2-CG1 4.16Å; L17-L125 HydrophobicContact CD2-CB 4.46Å
18	T	88.6	Confident	87.2	Confident	65 Å²	65	60.4 Å²	60.4	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-35.4	176.6	-55.5	0	0	0	0	111.5	V14 E15 L16	V14-T18 WeakPolarHBondContact O-CB 3.3Å; V14-T18 PolarHBondContact O-N 2.58Å; V14-T18 PolarHBondContact O-OG1 3.18Å; E15-T18 PolarHBondContact O-N 2.73Å; L16-T18 VanDerWaalsContact C-N 3.31Å; L16-T18 PolarHBondContact O-N 2.83Å
19	S	88.1	Confident	86.9	Confident	95 Å²	95	57.9 Å²	57.9	66%	0.664	32%	0.324	S	S	*	.	H	α-helix	trans	-75	-31.8	174.4	-173.2	0	0	0	0	113.3	E15 L16 L17	E15-S19 PolarHBondContact O-N 3.14Å; L16-S19 CarbonylContact O-C 3.51Å; L16-S19 WeakPolarHBondContact O-CB 3.29Å; L16-S19 PolarHBondContact O-N 3.16Å; L17-S19 PolarHBondContact O-N 3.43Å
20	M	87.4	Confident	86.5	Confident	86 Å²	86	60.1 Å²	60.1	42%	0.424	34%	0.336	S	S	.	.	H	α-helix	trans	-78.1	-26.4	-178.9	-73	-172.6	69.7	0	0	113.2	L16 L17 P22 L125	L16-M20 HydrophobicContact CD1-CG 4.1Å; L16-M20 HydrophobicContact CD1-SD 4.07Å; L16-M20 HydrophobicContact CD2-SD 4.47Å; L16-M20 HydrophobicContact CG-CG 4.35Å; L16-M20 HydrophobicContact CG-SD 3.99Å; L16-M20 WeakPolarHBondContact O-CG 3.41Å; L16-M20 PolarHBondContact O-N 2.78Å; L17-M20 PolarHBondContact O-N 3.29Å; L17-M20 VanDerWaalsContact O-N 3.07Å; M20-P22 VanDerWaalsContact O-CD 3.22Å; M20-P22 WeakPolarHBondContact O-CD 3.29Å; M20-L125 HydrophobicContact CE-CD1 3.49Å; M20-L125 VanDerWaalsContact CE-CD1 3.49Å; M20-L125 HydrophobicContact CE-CD2 3.64Å; M20-L125 HydrophobicContact CE-CG 4.22Å; M20-L125 HydrophobicContact SD-CD1 4.03Å; M20-L125 HydrophobicContact SD-CD2 3.78Å; M20-L125 HydrophobicContact SD-CG 4.5Å
21	F	87.4	Confident	85.9	Confident	14 Å²	14	62.7 Å²	62.7	6%	0.061	35%	0.35	C	S	.	.			trans	-117.7	69.1	-179.2	-62	-75.1	0	0	0	110.8	L17 G23 E26 L27 I60 L125 V128	L17-F21 HydrophobicContact CB-CD2 4.47Å; L17-F21 HydrophobicContact CD2-CD2 4.36Å; L17-F21 HydrophobicContact CD2-CE2 3.83Å; L17-F21 VanDerWaalsContact O-CD2 3.24Å; L17-F21 WeakPolarHBondContact O-CD2 3.33Å; L17-F21 PolarHBondContact O-N 3.33Å; F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.94Å; F21-E26 WeakPolarHBondContact CA-OE2 3.49Å; F21-E26 HydrophobicContact CB-CB 3.98Å; F21-L27 HydrophobicContact CB-CB 3.81Å; F21-L27 HydrophobicContact CB-CD1 4.45Å; F21-L27 HydrophobicContact CD2-CD1 4.19Å; F21-I60 HydrophobicContact CD1-CG2 4Å; F21-I60 HydrophobicContact CD2-CD1 4.26Å; F21-I60 HydrophobicContact CD2-CG2 4.31Å; F21-I60 HydrophobicContact CE1-CG2 3.83Å; F21-I60 HydrophobicContact CE2-CD1 3.94Å; F21-I60 HydrophobicContact CE2-CG2 4.19Å; F21-I60 HydrophobicContact CG-CG2 4.25Å; F21-I60 HydrophobicContact CZ-CD1 4.5Å; F21-I60 HydrophobicContact CZ-CG2 3.96Å; F21-L125 HydrophobicContact CZ-CD1 4.43Å; F21-V128 HydrophobicContact CZ-CG1 4.1Å
22	P	81.5	Confident	85.5	Confident	108 Å²	108	69.4 Å²	69.4	70%	0.701	38%	0.381	S	S	*	.			trans	-76.2	-7.6	-173.7	33.1	-37.7	0	0	0	114.1	M20	M20-P22 VanDerWaalsContact O-CD 3.22Å; M20-P22 WeakPolarHBondContact O-CD 3.29Å
23	G	81.3	Confident	85.3	Confident	27 Å²	27	72.3 Å²	72.3	28%	0.278	39%	0.389	S	S	.	.	S	Bend	trans	-65.7	142.1	179.5	0	0	0	0	0	112.5	F21 D25 E26	F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.94Å; G23-D25 PolarHBondContact O-N 3.06Å; G23-E26 PolarHBondContact N-OE2 3.36Å; G23-E26 PolarHBondContact O-N 2.75Å
24	Q	67.4	Low	85.1	Confident	197 Å²	197	71.9 Å²	71.9	92%	0.921	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.7	-173.8	-73.1	-158.8	-26.3	0	0	115
25	D	77.8	Confident	85	Confident	108 Å²	108	73 Å²	73	58%	0.578	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	5.5	179	-71.2	-60.3	0	0	0	113.4	G23 K61	G23-D25 PolarHBondContact O-N 3.06Å; D25-K61 WeakPolarHBondContact O-CD 3.07Å; D25-K61 WeakPolarHBondContact O-CG 3.38Å; D25-K61 PolarHBondContact O-NZ 3.34Å
26	E	86.1	Confident	85	Confident	75 Å²	75	71.7 Å²	71.7	35%	0.35	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-40.1	-174.3	-71.2	-178.3	168.5	0	0	112.4	F21 G23 I60 K61	F21-E26 WeakPolarHBondContact CA-OE2 3.49Å; F21-E26 HydrophobicContact CB-CB 3.98Å; G23-E26 PolarHBondContact N-OE2 3.36Å; G23-E26 PolarHBondContact O-N 2.75Å; E26-I60 CarbonylContact O-C 3.38Å; E26-I60 WeakPolarHBondContact O-CA 3.43Å; E26-K61 PolarHBondContact O-N 3.16Å
27	L	89.3	Confident	85	Confident	26 Å²	26	70.7 Å²	70.7	14%	0.136	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.9	174.2	-176.2	153.5	0	0	0	109.9	L17 F21 L29 F59 I60	L17-L27 HydrophobicContact CB-CD1 3.64Å; F21-L27 HydrophobicContact CB-CB 3.81Å; F21-L27 HydrophobicContact CB-CD1 4.45Å; F21-L27 HydrophobicContact CD2-CD1 4.19Å; L27-L29 HydrophobicContact CD2-CG 4.16Å; L27-F59 WeakPolarHBondContact CA-O 3.37Å; L27-I60 HydrophobicContact CD1-CD1 4.36Å; L27-I60 HydrophobicContact CD1-CG1 4.06Å; L27-I60 HydrophobicContact CG-CG1 4.32Å
28	E	88	Confident	85.1	Confident	93 Å²	93	70.6 Å²	70.6	44%	0.435	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.5	176.6	-167.3	-176.3	121.5	0	0	110.4	T30 F58 F59	E28-T30 PolarHBondContact O-N 2.9Å; E28-F58 CarbonylContact O-C 3.58Å; E28-F58 WeakPolarHBondContact O-CA 3.37Å; E28-F58 VanDerWaalsContact O-CB 3.28Å; E28-F58 WeakPolarHBondContact O-CB 3.23Å; E28-F59 HydrophobicContact CB-CD1 4.18Å; E28-F59 HydrophobicContact CB-CD2 4.19Å; E28-F59 HydrophobicContact CB-CE1 3.56Å; E28-F59 HydrophobicContact CB-CE2 3.52Å; E28-F59 HydrophobicContact CB-CZ 3.23Å; E28-F59 HydrophobicContact CG-CE1 3.99Å; E28-F59 HydrophobicContact CG-CZ 3.84Å; E28-F59 PolarHBondContact N-O 2.8Å; E28-F59 PolarHBondContact O-N 2.88Å; E28-F59 VanDerWaalsContact OE2-CZ 3.23Å; E28-F59 WeakPolarHBondContact OE2-CZ 3.09Å
29	L	85.4	Confident	85.2	Confident	35 Å²	35	72.4 Å²	72.4	18%	0.183	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	112	173.2	-68	159.5	0	0	0	108.8	V14 L27 D31 Q32 L35 F58	V14-L29 HydrophobicContact CG1-CD2 3.94Å; L27-L29 HydrophobicContact CD2-CG 4.16Å; L29-D31 VanDerWaalsContact C-N 3.32Å; L29-Q32 HydrophobicContact CB-CG 4.46Å; L29-L35 HydrophobicContact CD1-CD2 3.44Å; L29-L35 VanDerWaalsContact CD1-CD2 3.44Å; L29-L35 HydrophobicContact CD2-CD2 4.35Å; L29-F58 HydrophobicContact CD2-CB 3.72Å; L29-F58 HydrophobicContact CD2-CD1 4.17Å; L29-F58 HydrophobicContact CD2-CG 4.23Å; L29-F58 HydrophobicContact CG-CB 4.4Å
30	T	80.6	Confident	85.3	Confident	81 Å²	81	70.2 Å²	70.2	50%	0.497	37%	0.372	S	S	.	.	S	Bend	trans	-71.9	-30	-179.2	-48.7	0	0	0	0	111.6	E28 Q57	E28-T30 PolarHBondContact O-N 2.9Å; T30-Q57 PolarHBondContact N-O 2.86Å
31	D	80.6	Confident	85.4	Confident	55 Å²	55	67.6 Å²	67.6	29%	0.294	36%	0.358	S	S	.	.			trans	-124.8	87	178.2	-167.8	-12.9	0	0	0	111.1	L29 L33 A34 L35 Q57	L29-D31 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.08Å; D31-L33 WeakPolarHBondContact OD1-CB 3.46Å; D31-L33 PolarHBondContact OD1-N 2.78Å; D31-L33 VanDerWaalsContact OD1-N 3.13Å; D31-A34 HydrophobicContact CB-CB 4.06Å; D31-A34 VanDerWaalsContact CG-CB 3.46Å; D31-A34 PolarHBondContact O-N 2.94Å; D31-A34 PolarHBondContact OD1-N 3.45Å; D31-A34 WeakPolarHBondContact OD2-CB 3.36Å; D31-L35 PolarHBondContact O-N 3.04Å; D31-Q57 PolarHBondContact N-O 2.91Å
32	Q	84.3	Confident	85.5	Confident	151 Å²	151	68 Å²	68	71%	0.706	36%	0.361	S	S	*	.	H	α-helix	trans	-67.1	-25.4	177	-65	-178	18.5	0	0	112.6	L29 A36	L29-Q32 HydrophobicContact CB-CG 4.46Å; Q32-A36 PolarHBondContact O-N 2.91Å; Q32-A36 VanDerWaalsContact O-N 3.11Å
33	L	87.6	Confident	85.8	Confident	114 Å²	114	69.1 Å²	69.1	60%	0.597	36%	0.357	S	S	*	.	H	α-helix	trans	-70.4	-46.1	178.5	-179.5	63.3	0	0	0	110	D31 L35 A36 E37	D31-L33 PolarHBondContact O-N 3.08Å; D31-L33 WeakPolarHBondContact OD1-CB 3.46Å; D31-L33 PolarHBondContact OD1-N 2.78Å; D31-L33 VanDerWaalsContact OD1-N 3.13Å; L33-L35 VanDerWaalsContact C-N 3.27Å; L33-L35 PolarHBondContact O-N 2.88Å; L33-A36 PolarHBondContact O-N 3.48Å; L33-A36 VanDerWaalsContact O-N 3.09Å; L33-E37 HydrophobicContact CD1-CG 4.41Å; L33-E37 HydrophobicContact CG-CG 4.45Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 2.81Å
34	A	87.4	Confident	85.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-60.3	-34.9	177.5	0	0	0	0	0	112.9	D31 L38	D31-A34 HydrophobicContact CB-CB 4.06Å; D31-A34 VanDerWaalsContact CG-CB 3.46Å; D31-A34 PolarHBondContact O-N 2.94Å; D31-A34 PolarHBondContact OD1-N 3.45Å; D31-A34 WeakPolarHBondContact OD2-CB 3.36Å; A34-L38 VanDerWaalsContact O-CB 3.31Å; A34-L38 WeakPolarHBondContact O-CB 3.5Å; A34-L38 PolarHBondContact O-N 2.66Å
35	L	89	Confident	85.5	Confident	24 Å²	24	65.4 Å²	65.4	13%	0.126	34%	0.343	C	S	.	.	H	α-helix	trans	-69	-42.4	173.4	-178.9	62.5	0	0	0	112.1	L11 V14 L29 D31 L33 E37 L38 R39 P56	L11-L35 HydrophobicContact CD1-CD1 3.86Å; V14-L35 HydrophobicContact CB-CD1 4.41Å; V14-L35 HydrophobicContact CG1-CD1 3.92Å; V14-L35 HydrophobicContact CG1-CD2 4.11Å; L29-L35 HydrophobicContact CD1-CD2 3.44Å; L29-L35 VanDerWaalsContact CD1-CD2 3.44Å; L29-L35 HydrophobicContact CD2-CD2 4.35Å; D31-L35 PolarHBondContact O-N 3.04Å; L33-L35 VanDerWaalsContact C-N 3.27Å; L33-L35 PolarHBondContact O-N 2.88Å; L35-E37 VanDerWaalsContact C-N 3.34Å; L35-L38 PolarHBondContact O-N 3.29Å; L35-R39 WeakPolarHBondContact O-CB 3.23Å; L35-R39 PolarHBondContact O-N 3.29Å; L35-P56 HydrophobicContact CB-CG 4.31Å; L35-P56 HydrophobicContact CD1-CG 4.08Å
36	A	89.3	Confident	84.5	Confident	57 Å²	57	65.5 Å²	65.5	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-40.6	177.4	0	0	0	0	0	111.7	Q32 L33 R39 S40	Q32-A36 PolarHBondContact O-N 2.91Å; Q32-A36 VanDerWaalsContact O-N 3.11Å; L33-A36 PolarHBondContact O-N 3.48Å; L33-A36 VanDerWaalsContact O-N 3.09Å; A36-R39 PolarHBondContact O-N 3.5Å; A36-S40 VanDerWaalsContact O-CB 3.31Å; A36-S40 WeakPolarHBondContact O-CB 3.35Å; A36-S40 PolarHBondContact O-N 3.27Å
37	E	90.2	Very high	83.1	Confident	72 Å²	72	65.1 Å²	65.1	34%	0.336	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.9	-71.1	-178.5	160.8	0	0	111.8	L33 L35 S40 Y41 P52	L33-E37 HydrophobicContact CD1-CG 4.41Å; L33-E37 HydrophobicContact CG-CG 4.45Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 2.81Å; L35-E37 VanDerWaalsContact C-N 3.34Å; E37-S40 PolarHBondContact O-N 3.09Å; E37-Y41 WeakPolarHBondContact O-CB 3.33Å; E37-Y41 PolarHBondContact O-N 3.31Å; E37-P52 HydrophobicContact CB-CB 4.17Å
38	L	90.1	Very high	81.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-61.3	-46.1	175.5	-178.3	66.1	0	0	0	111.5	A7 Q10 L11 A34 L35 Y41 V42 P56	A7-L38 HydrophobicContact CB-CD1 3.67Å; Q10-L38 HydrophobicContact CB-CD2 3.96Å; L11-L38 HydrophobicContact CB-CD2 4.29Å; L11-L38 HydrophobicContact CB-CG 4.48Å; A34-L38 VanDerWaalsContact O-CB 3.31Å; A34-L38 WeakPolarHBondContact O-CB 3.5Å; A34-L38 PolarHBondContact O-N 2.66Å; L35-L38 PolarHBondContact O-N 3.29Å; L38-Y41 PolarHBondContact O-N 2.95Å; L38-V42 WeakPolarHBondContact O-CG2 3.39Å; L38-V42 PolarHBondContact O-N 2.65Å; L38-P56 HydrophobicContact CD2-CG 3.74Å
39	R	90.9	Very high	80.7	Confident	102 Å²	102	67.6 Å²	67.6	39%	0.385	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-47.7	177.2	-179.1	177.9	-76.4	-178.9	-4.2	111.4	L11 E15 L35 A36 Y41 V42 E43	L11-R39 HydrophobicContact CD1-CB 4.09Å; L11-R39 HydrophobicContact CD2-CB 4.35Å; L11-R39 HydrophobicContact CD2-CG 4.33Å; E15-R39 IonicContact OE1-CZ 3.47Å; E15-R39 IonicContact OE1-NE 3.49Å; E15-R39 PolarHBondContact OE1-NE 2.89Å; E15-R39 IonicContact OE1-NH2 2.71Å; E15-R39 PolarHBondContact OE1-NH2 3.44Å; L35-R39 WeakPolarHBondContact O-CB 3.23Å; L35-R39 PolarHBondContact O-N 3.29Å; A36-R39 PolarHBondContact O-N 3.5Å; R39-Y41 VanDerWaalsContact C-N 3.29Å; R39-Y41 PolarHBondContact O-N 3.36Å; R39-V42 PolarHBondContact O-N 2.81Å; R39-E43 WeakPolarHBondContact CD-OE1 3.46Å; R39-E43 HydrophobicContact CG-CG 4.23Å; R39-E43 WeakPolarHBondContact CG-OE1 3.45Å; R39-E43 WeakPolarHBondContact O-CB 3.23Å; R39-E43 WeakPolarHBondContact O-CG 3.16Å; R39-E43 PolarHBondContact O-N 2.84Å
40	S	89.9	Confident	80.2	Confident	49 Å²	49	74.8 Å²	74.8	34%	0.343	43%	0.425	S	S	.	.	H	α-helix	trans	-58.2	-42.2	176.6	-179.7	0	0	0	0	111.9	A36 E37 E43 N44	A36-S40 VanDerWaalsContact O-CB 3.31Å; A36-S40 WeakPolarHBondContact O-CB 3.35Å; A36-S40 PolarHBondContact O-N 3.27Å; E37-S40 PolarHBondContact O-N 3.09Å; S40-E43 PolarHBondContact O-N 3.42Å; S40-N44 VanDerWaalsContact O-CB 3.22Å; S40-N44 WeakPolarHBondContact O-CB 3.32Å; S40-N44 PolarHBondContact O-N 2.84Å; S40-N44 PolarHBondContact O-ND2 2.8Å; S40-N44 PolarHBondContact OG-ND2 2.75Å; S40-N44 VanDerWaalsContact OG-ND2 3.07Å
41	Y	89.4	Confident	80.1	Confident	31 Å²	31	73.8 Å²	73.8	12%	0.122	42%	0.421	C	S	.	.	H	α-helix	trans	-64.1	-41.1	177.7	177.6	-107.7	0	0	0	112.4	Y3 M4 A7 E37 L38 R39 E49 P52	Y3-Y41 AromaticContact CD1-CE1 3.85Å; Y3-Y41 HydrophobicContact CD1-CE1 3.85Å; Y3-Y41 HydrophobicContact CE1-CE1 4.09Å; M4-Y41 HydrophobicContact SD-CD1 4.49Å; M4-Y41 HydrophobicContact SD-CE1 4.01Å; A7-Y41 HydrophobicContact CB-CD1 3.8Å; A7-Y41 HydrophobicContact CB-CE1 3.85Å; E37-Y41 WeakPolarHBondContact O-CB 3.33Å; E37-Y41 PolarHBondContact O-N 3.31Å; L38-Y41 PolarHBondContact O-N 2.95Å; R39-Y41 VanDerWaalsContact C-N 3.29Å; R39-Y41 PolarHBondContact O-N 3.36Å; Y41-E49 HydrophobicContact CD2-CB 4.36Å; Y41-E49 WeakPolarHBondContact CE2-O 3.29Å; Y41-P52 HydrophobicContact CD1-CG 4.4Å; Y41-P52 HydrophobicContact CG-CG 4.13Å
42	V	89.4	Confident	80.1	Confident	22 Å²	22	71.7 Å²	71.7	13%	0.133	41%	0.41	C	S	.	.	H	α-helix	trans	-68	-43.3	177.4	171.6	0	0	0	0	111.2	M4 A7 E8 L11 L38 R39 S45	M4-V42 HydrophobicContact CE-CB 4.4Å; M4-V42 HydrophobicContact CE-CG1 4.23Å; M4-V42 WeakPolarHBondContact CE-O 3.36Å; A7-V42 HydrophobicContact CB-CG2 3.84Å; E8-V42 HydrophobicContact CG-CG1 3.8Å; E8-V42 HydrophobicContact CG-CG2 4.3Å; L11-V42 HydrophobicContact CB-CG2 4.47Å; L11-V42 HydrophobicContact CD2-CB 3.9Å; L11-V42 HydrophobicContact CD2-CG1 3.91Å; L11-V42 HydrophobicContact CD2-CG2 4.1Å; L38-V42 WeakPolarHBondContact O-CG2 3.39Å; L38-V42 PolarHBondContact O-N 2.65Å; R39-V42 PolarHBondContact O-N 2.81Å; V42-S45 PolarHBondContact O-OG 2.6Å
43	E	87.3	Confident	79.8	Confident	132 Å²	132	70 Å²	70	62%	0.617	41%	0.412	S	S	*	.	H	α-helix	trans	-74.9	-32.5	-177.2	-69.7	174.5	179.1	0	0	113.6	R39 S40	R39-E43 WeakPolarHBondContact CD-OE1 3.46Å; R39-E43 HydrophobicContact CG-CG 4.23Å; R39-E43 WeakPolarHBondContact CG-OE1 3.45Å; R39-E43 WeakPolarHBondContact O-CB 3.23Å; R39-E43 WeakPolarHBondContact O-CG 3.16Å; R39-E43 PolarHBondContact O-N 2.84Å; S40-E43 PolarHBondContact O-N 3.42Å
44	N	81.3	Confident	79.6	Confident	79 Å²	79	67.2 Å²	67.2	42%	0.422	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	22.5	-176	-64	-56.3	0	0	0	113.9	S40 A46 S47	S40-N44 VanDerWaalsContact O-CB 3.22Å; S40-N44 WeakPolarHBondContact O-CB 3.32Å; S40-N44 PolarHBondContact O-N 2.84Å; S40-N44 PolarHBondContact O-ND2 2.8Å; S40-N44 PolarHBondContact OG-ND2 2.75Å; S40-N44 VanDerWaalsContact OG-ND2 3.07Å; N44-A46 PolarHBondContact O-N 3.07Å; N44-S47 PolarHBondContact O-N 3.34Å; N44-S47 VanDerWaalsContact O-N 3.12Å; N44-S47 PolarHBondContact O-OG 3.33Å; N44-S47 VanDerWaalsContact O-OG 3.12Å
45	S	62.5	Low	79.5	Confident	68 Å²	68	68.1 Å²	68.1	48%	0.476	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	0.1	-169.9	28.3	0	0	0	0	116.8	M4 V42	M4-S45 VanDerWaalsContact CE-OG 3.27Å; M4-S45 WeakPolarHBondContact CE-OG 3.48Å; V42-S45 PolarHBondContact O-OG 2.6Å
46	A	57	Low	79.4	Confident	110 Å²	110	67 Å²	67	91%	0.909	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.6	171.2	0	0	0	0	0	114.7	N44	N44-A46 PolarHBondContact O-N 3.07Å
47	S	56.2	Low	79.5	Confident	67 Å²	67	68.2 Å²	68.2	47%	0.469	40%	0.395	S	S	.	.	S	Bend	trans	-97.9	5.2	-165.5	63.8	0	0	0	0	116.9	N44 E49	N44-S47 PolarHBondContact O-N 3.34Å; N44-S47 VanDerWaalsContact O-N 3.12Å; N44-S47 PolarHBondContact O-OG 3.33Å; N44-S47 VanDerWaalsContact O-OG 3.12Å; S47-E49 PolarHBondContact O-N 2.72Å; S47-E49 VanDerWaalsContact OG-CG 3.25Å; S47-E49 WeakPolarHBondContact OG-CG 3.43Å; S47-E49 PolarHBondContact OG-OE1 3.36Å
48	G	59.2	Low	79.5	Confident	76 Å²	76	64.9 Å²	64.9	78%	0.784	38%	0.38	S	S	*	.			trans	61.4	23.4	-177.4	0	0	0	0	0	113.1
49	E	66.4	Low	79.6	Confident	94 Å²	94	66.3 Å²	66.3	44%	0.439	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-60.3	145.7	179	-94.5	169.9	-145.1	0	0	111.5	Y41 S47	Y41-E49 HydrophobicContact CD2-CB 4.36Å; Y41-E49 WeakPolarHBondContact CE2-O 3.29Å; S47-E49 PolarHBondContact O-N 2.72Å; S47-E49 VanDerWaalsContact OG-CG 3.25Å; S47-E49 WeakPolarHBondContact OG-CG 3.43Å; S47-E49 PolarHBondContact OG-OE1 3.36Å
50	K	74.9	Confident	79.6	Confident	186 Å²	186	61.4 Å²	61.4	81%	0.809	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-71.1	144.9	176.6	-74	-177	-179.1	178.3	0	109.3
51	P	78.7	Confident	79.6	Confident	61 Å²	61	61.2 Å²	61.2	40%	0.396	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-53.6	139.1	173.5	23.2	-35.7	0	0	0	112.1	Y3	Y3-P51 HydrophobicContact CD1-CB 3.53Å; Y3-P51 HydrophobicContact CD2-CB 4.31Å; Y3-P51 HydrophobicContact CE1-CB 2.97Å; Y3-P51 HydrophobicContact CE1-CG 4.24Å; Y3-P51 HydrophobicContact CE2-CB 3.83Å; Y3-P51 HydrophobicContact CE2-CG 4.45Å; Y3-P51 HydrophobicContact CG-CB 4.17Å; Y3-P51 WeakPolarHBondContact OH-CB 3.14Å
52	P	82.3	Confident	79.5	Confident	10 Å²	10	61.7 Å²	61.7	7%	0.065	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-61.8	139.6	178.6	3.6	-6	0	0	0	110.7	Y3 E37 Y41 S54 R55	Y3-P52 PolarHBondContact OH-O 2.87Å; E37-P52 HydrophobicContact CB-CB 4.17Å; Y41-P52 HydrophobicContact CD1-CG 4.4Å; Y41-P52 HydrophobicContact CG-CG 4.13Å; P52-S54 VanDerWaalsContact C-N 3.29Å; P52-S54 PolarHBondContact O-N 3.5Å; P52-R55 PolarHBondContact O-NH1 3.48Å
53	P	77.3	Confident	79.3	Confident	117 Å²	117	68.7 Å²	68.7	76%	0.76	39%	0.388	S	S	*	.	S	Bend	trans	-74.1	-23.1	-176.2	30.9	-35.3	0	0	0	112.7
54	S	83.2	Confident	78.7	Confident	54 Å²	54	63.2 Å²	63.2	38%	0.378	36%	0.363	S	S	.	.			trans	-113.8	158.5	-179.5	-62.5	0	0	0	0	110.6	P52	P52-S54 VanDerWaalsContact C-N 3.29Å; P52-S54 PolarHBondContact O-N 3.5Å
55	R	85.4	Confident	77.7	Confident	20 Å²	20	67.9 Å²	67.9	8%	0.075	39%	0.388	C	S	.	.			trans	-130.9	155.3	178.8	-73.3	-55	-158.6	-124.5	7.8	110.8	Y3 P52 Q57 Y80 S82	Y3-R55 PolarHBondContact OH-NH1 3.41Å; Y3-R55 PolarHBondContact OH-NH2 3.08Å; Y3-R55 VanDerWaalsContact OH-NH2 3.07Å; P52-R55 PolarHBondContact O-NH1 3.48Å; R55-Q57 PolarHBondContact O-N 2.78Å; R55-Y80 WeakPolarHBondContact CB-O 3.44Å; R55-Y80 WeakPolarHBondContact CG-O 3.29Å; R55-S82 PolarHBondContact NH2-O 3.14Å
56	P	86.5	Confident	77.4	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.374	C	S	.	.			trans	-56.8	134.9	-179.1	-24.6	34.2	0	0	0	112	V14 L35 L38 Y80	V14-P56 HydrophobicContact CG2-CB 4.45Å; L35-P56 HydrophobicContact CB-CG 4.31Å; L35-P56 HydrophobicContact CD1-CG 4.08Å; L38-P56 HydrophobicContact CD2-CG 3.74Å; P56-Y80 PolarHBondContact O-N 3.4Å
57	Q	90.8	Very high	77.3	Confident	82 Å²	82	67.2 Å²	67.2	38%	0.383	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.3	165.1	-177	175.6	20.5	0	0	108.5	T30 D31 R55 C78 A79	T30-Q57 PolarHBondContact N-O 2.86Å; D31-Q57 PolarHBondContact N-O 2.91Å; R55-Q57 PolarHBondContact O-N 2.78Å; Q57-C78 WeakPolarHBondContact CA-O 3.49Å; Q57-C78 WeakPolarHBondContact CG-O 3.25Å; Q57-A79 HydrophobicContact CB-CB 4.37Å; Q57-A79 HydrophobicContact CG-CB 4.13Å
58	F	91.3	Very high	77.1	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.009	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	168.4	-179.5	56	-88.4	0	0	0	111	V14 L17 E28 L29 I60 T77 C78 Y80 V124	V14-F58 HydrophobicContact CG2-CE1 4.04Å; L17-F58 HydrophobicContact CD1-CE2 3.85Å; L17-F58 HydrophobicContact CD1-CZ 3.72Å; E28-F58 CarbonylContact O-C 3.58Å; E28-F58 WeakPolarHBondContact O-CA 3.37Å; E28-F58 VanDerWaalsContact O-CB 3.28Å; E28-F58 WeakPolarHBondContact O-CB 3.23Å; L29-F58 HydrophobicContact CD2-CB 3.72Å; L29-F58 HydrophobicContact CD2-CD1 4.17Å; L29-F58 HydrophobicContact CD2-CG 4.23Å; L29-F58 HydrophobicContact CG-CB 4.4Å; F58-I60 HydrophobicContact CD2-CD1 4.48Å; F58-I60 HydrophobicContact CD2-CG1 4.15Å; F58-I60 HydrophobicContact CE2-CD1 4.05Å; F58-I60 HydrophobicContact CE2-CG1 4.22Å; F58-T77 WeakPolarHBondContact O-CA 3.2Å; F58-C78 HydrophobicContact CD2-CB 4.24Å; F58-C78 HydrophobicContact CE1-CB 4.24Å; F58-C78 HydrophobicContact CE2-CB 3.74Å; F58-C78 HydrophobicContact CZ-CB 3.75Å; F58-C78 PolarHBondContact N-O 3.27Å; F58-C78 PolarHBondContact O-N 3.02Å; F58-Y80 HydrophobicContact CE1-CD1 4.34Å; F58-Y80 AromaticContact CE1-CE1 3.67Å; F58-Y80 HydrophobicContact CE1-CE1 3.67Å; F58-Y80 HydrophobicContact CE1-CE2 4.25Å; F58-Y80 AromaticContact CE1-CZ 3.61Å; F58-Y80 AromaticContact CZ-CE1 3.76Å; F58-Y80 HydrophobicContact CZ-CE1 3.76Å; F58-Y80 AromaticContact CZ-CZ 3.77Å; F58-Y80 WeakPolarHBondContact CZ-OH 3.34Å; F58-V124 HydrophobicContact CE2-CG1 3.99Å; F58-V124 HydrophobicContact CZ-CG1 4.1Å; F58-V124 HydrophobicContact CZ-CG2 4.33Å
59	F	91.1	Very high	76.8	Confident	30 Å²	30	67 Å²	67	13%	0.132	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.4	167.7	63.3	-102.1	0	0	0	111.2	L27 E28 K61 I75 L76	L27-F59 WeakPolarHBondContact CA-O 3.37Å; E28-F59 HydrophobicContact CB-CD1 4.18Å; E28-F59 HydrophobicContact CB-CD2 4.19Å; E28-F59 HydrophobicContact CB-CE1 3.56Å; E28-F59 HydrophobicContact CB-CE2 3.52Å; E28-F59 HydrophobicContact CB-CZ 3.23Å; E28-F59 HydrophobicContact CG-CE1 3.99Å; E28-F59 HydrophobicContact CG-CZ 3.84Å; E28-F59 PolarHBondContact N-O 2.8Å; E28-F59 PolarHBondContact O-N 2.88Å; E28-F59 VanDerWaalsContact OE2-CZ 3.23Å; E28-F59 WeakPolarHBondContact OE2-CZ 3.09Å; F59-K61 HydrophobicContact CD2-CG 3.81Å; F59-K61 HydrophobicContact CE2-CD 4.15Å; F59-K61 HydrophobicContact CE2-CG 3.82Å; F59-I75 HydrophobicContact CB-CG2 3.91Å; F59-I75 HydrophobicContact CD2-CG2 4.24Å; F59-I75 HydrophobicContact CG-CG2 4.29Å; F59-L76 CarbonylContact C-O 3.56Å; F59-L76 WeakPolarHBondContact CA-O 3.46Å
60	I	91.3	Very high	76.1	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.3	174.3	-58.2	174.8	0	0	0	107.3	L17 F21 E26 L27 F58 I75 L76 V124 V128	L17-I60 HydrophobicContact CD2-CD1 4.13Å; F21-I60 HydrophobicContact CD1-CG2 4Å; F21-I60 HydrophobicContact CD2-CD1 4.26Å; F21-I60 HydrophobicContact CD2-CG2 4.31Å; F21-I60 HydrophobicContact CE1-CG2 3.83Å; F21-I60 HydrophobicContact CE2-CD1 3.94Å; F21-I60 HydrophobicContact CE2-CG2 4.19Å; F21-I60 HydrophobicContact CG-CG2 4.25Å; F21-I60 HydrophobicContact CZ-CD1 4.5Å; F21-I60 HydrophobicContact CZ-CG2 3.96Å; E26-I60 CarbonylContact O-C 3.38Å; E26-I60 WeakPolarHBondContact O-CA 3.43Å; L27-I60 HydrophobicContact CD1-CD1 4.36Å; L27-I60 HydrophobicContact CD1-CG1 4.06Å; L27-I60 HydrophobicContact CG-CG1 4.32Å; F58-I60 HydrophobicContact CD2-CD1 4.48Å; F58-I60 HydrophobicContact CD2-CG1 4.15Å; F58-I60 HydrophobicContact CE2-CD1 4.05Å; F58-I60 HydrophobicContact CE2-CG1 4.22Å; I60-I75 WeakPolarHBondContact O-CA 3.19Å; I60-L76 PolarHBondContact N-O 3.23Å; I60-L76 PolarHBondContact O-N 2.8Å; I60-V124 HydrophobicContact CD1-CG1 4.01Å; I60-V128 HydrophobicContact CD1-CG2 3.79Å; I60-V128 HydrophobicContact CG2-CG2 4.38Å
61	K	90.6	Very high	75.4	Confident	45 Å²	45	69.7 Å²	69.7	20%	0.196	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130	172.4	-57	-165.3	-169.1	114.1	0	109.1	D25 E26 F59 I75	D25-K61 WeakPolarHBondContact O-CD 3.07Å; D25-K61 WeakPolarHBondContact O-CG 3.38Å; D25-K61 PolarHBondContact O-NZ 3.34Å; E26-K61 PolarHBondContact O-N 3.16Å; F59-K61 HydrophobicContact CD2-CG 3.81Å; F59-K61 HydrophobicContact CE2-CD 4.15Å; F59-K61 HydrophobicContact CE2-CG 3.82Å; K61-I75 HydrophobicContact CD-CD1 4.46Å; K61-I75 HydrophobicContact CG-CD1 4.47Å; K61-I75 HydrophobicContact CG-CG1 4.14Å; K61-I75 HydrophobicContact CG-CG2 4.45Å
62	Q	86.7	Confident	75	Confident	41 Å²	41	67.8 Å²	67.8	19%	0.192	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.7	179.4	-178.7	66.5	57.3	0	0	111.1	E73 F74 K132	Q62-E73 VanDerWaalsContact O-CA 3.26Å; Q62-E73 WeakPolarHBondContact O-CA 3.46Å; Q62-F74 HydrophobicContact CB-CD1 4.1Å; Q62-F74 HydrophobicContact CB-CE1 3.52Å; Q62-F74 HydrophobicContact CB-CE2 4.06Å; Q62-F74 HydrophobicContact CB-CZ 3.5Å; Q62-F74 VanDerWaalsContact CB-CZ 3.5Å; Q62-F74 HydrophobicContact CG-CD1 4.45Å; Q62-F74 HydrophobicContact CG-CE1 3.6Å; Q62-F74 HydrophobicContact CG-CZ 3.8Å; Q62-F74 PolarHBondContact N-O 2.78Å; Q62-F74 PolarHBondContact O-N 3.46Å; Q62-K132 HydrophobicContact CG-CD 4.31Å; Q62-K132 HydrophobicContact CG-CG 4.12Å
63	R	84.4	Confident	75.2	Confident	168 Å²	168	71.2 Å²	71.2	63%	0.634	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.6	171.1	-62.9	-177.1	-179.2	-179.6	1.1	110.6
64	L	76.6	Confident	75.7	Confident	18 Å²	18	65.6 Å²	65.6	9%	0.094	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.1	176	-62.3	171.9	0	0	0	109.9	S66 T72 F74 V135 I139	L64-S66 PolarHBondContact O-N 2.95Å; L64-S66 VanDerWaalsContact O-N 3.15Å; L64-T72 VanDerWaalsContact CB-O 3.27Å; L64-T72 WeakPolarHBondContact CB-O 3.41Å; L64-T72 HydrophobicContact CD1-CG2 4.11Å; L64-T72 WeakPolarHBondContact CG-O 3.38Å; L64-T72 PolarHBondContact N-O 3.19Å; L64-F74 HydrophobicContact CD1-CD1 4.43Å; L64-F74 HydrophobicContact CD2-CD1 3.69Å; L64-F74 HydrophobicContact CD2-CE1 3.75Å; L64-F74 HydrophobicContact CG-CD1 4.05Å; L64-V135 HydrophobicContact CD1-CG1 3.69Å; L64-V135 HydrophobicContact CD1-CG2 4.38Å; L64-V135 HydrophobicContact CD2-CG1 3.41Å; L64-V135 VanDerWaalsContact CD2-CG1 3.41Å; L64-V135 HydrophobicContact CG-CG1 4.19Å; L64-I139 HydrophobicContact CD1-CD1 3.77Å
65	D	60	Low	76	Confident	177 Å²	177	65.3 Å²	65.3	95%	0.947	34%	0.336	S	S	*	.			trans	-80	91.5	169.3	-84.4	-33.4	0	0	0	109.4
66	S	56.1	Low	76.4	Confident	28 Å²	28	64.4 Å²	64.4	20%	0.196	33%	0.332	C	S	.	.			trans	-131.8	122.2	170.7	146.4	0	0	0	0	108.6	L64 V68 M69	L64-S66 PolarHBondContact O-N 2.95Å; L64-S66 VanDerWaalsContact O-N 3.15Å; S66-V68 PolarHBondContact O-N 3.31Å; S66-V68 PolarHBondContact OG-N 3.45Å; S66-M69 PolarHBondContact O-N 3.04Å; S66-M69 VanDerWaalsContact O-N 3.08Å
67	S	54.3	Low	76.6	Confident	135 Å²	135	65.8 Å²	65.8	94%	0.944	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-4.1	-179.4	75.6	0	0	0	0	114.9
68	V	51.6	Low	76.7	Confident	110 Å²	110	61.9 Å²	61.9	67%	0.667	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-13	-174.3	-172.2	0	0	0	0	112.1	S66	S66-V68 PolarHBondContact O-N 3.31Å; S66-V68 PolarHBondContact OG-N 3.45Å
69	M	53.1	Low	76.8	Confident	30 Å²	30	63 Å²	63	15%	0.148	33%	0.332	C	S	.	.	S	Bend	trans	-131.8	117.7	-174.3	-65.9	179.5	-176	0	0	110	S66 E71 I139 K140 L143	S66-M69 PolarHBondContact O-N 3.04Å; S66-M69 VanDerWaalsContact O-N 3.08Å; M69-E71 PolarHBondContact O-N 2.96Å; M69-I139 HydrophobicContact CE-CB 4.05Å; M69-I139 HydrophobicContact CE-CG2 3.43Å; M69-I139 VanDerWaalsContact CE-CG2 3.43Å; M69-I139 HydrophobicContact SD-CB 4.18Å; M69-I139 HydrophobicContact SD-CD1 4.26Å; M69-I139 HydrophobicContact SD-CG2 3.56Å; M69-I139 VanDerWaalsContact SD-CG2 3.56Å; M69-K140 HydrophobicContact CE-CG 4.13Å; M69-L143 HydrophobicContact CE-CD1 3.55Å
70	N	51.8	Low	76.8	Confident	161 Å²	161	62.2 Å²	62.2	86%	0.861	33%	0.328	S	S	*	.	S	Bend	trans	-51.8	129.5	170.1	-77	-10.6	0	0	0	109.7	T72	N70-T72 VanDerWaalsContact C-N 3.26Å; N70-T72 PolarHBondContact O-N 3.24Å; N70-T72 PolarHBondContact O-OG1 2.71Å
71	E	59.7	Low	76.8	Confident	174 Å²	174	63.5 Å²	63.5	81%	0.813	34%	0.337	S	S	*	.	S	Bend	trans	12.4	61.1	167.9	-62.8	-173.7	155.6	0	0	115.9	M69	M69-E71 PolarHBondContact O-N 2.96Å
72	T	70.9	Confident	76.8	Confident	22 Å²	22	62.7 Å²	62.7	14%	0.135	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.6	178.4	-58.8	0	0	0	0	108.3	L64 N70 A97 I139	L64-T72 VanDerWaalsContact CB-O 3.27Å; L64-T72 WeakPolarHBondContact CB-O 3.41Å; L64-T72 HydrophobicContact CD1-CG2 4.11Å; L64-T72 WeakPolarHBondContact CG-O 3.38Å; L64-T72 PolarHBondContact N-O 3.19Å; N70-T72 VanDerWaalsContact C-N 3.26Å; N70-T72 PolarHBondContact O-N 3.24Å; N70-T72 PolarHBondContact O-OG1 2.71Å; T72-A97 HydrophobicContact CG2-CB 3.72Å; T72-I139 HydrophobicContact CG2-CD1 4.26Å
73	E	86.3	Confident	76.9	Confident	81 Å²	81	64.8 Å²	64.8	38%	0.379	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	153	175.7	62	-179.6	-152.8	0	0	111.5	Q62 C95	Q62-E73 VanDerWaalsContact O-CA 3.26Å; Q62-E73 WeakPolarHBondContact O-CA 3.46Å; E73-C95 PolarHBondContact O-SG 3.3Å
74	F	87.4	Confident	77.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	151.3	163.8	73.8	-91.8	0	0	0	109.8	Q62 L64 L76 V93 R94 C95 V131 K132 V135	Q62-F74 HydrophobicContact CB-CD1 4.1Å; Q62-F74 HydrophobicContact CB-CE1 3.52Å; Q62-F74 HydrophobicContact CB-CE2 4.06Å; Q62-F74 HydrophobicContact CB-CZ 3.5Å; Q62-F74 VanDerWaalsContact CB-CZ 3.5Å; Q62-F74 HydrophobicContact CG-CD1 4.45Å; Q62-F74 HydrophobicContact CG-CE1 3.6Å; Q62-F74 HydrophobicContact CG-CZ 3.8Å; Q62-F74 PolarHBondContact N-O 2.78Å; Q62-F74 PolarHBondContact O-N 3.46Å; L64-F74 HydrophobicContact CD1-CD1 4.43Å; L64-F74 HydrophobicContact CD2-CD1 3.69Å; L64-F74 HydrophobicContact CD2-CE1 3.75Å; L64-F74 HydrophobicContact CG-CD1 4.05Å; F74-L76 HydrophobicContact CE2-CB 4.36Å; F74-V93 HydrophobicContact CD2-CG1 4.49Å; F74-R94 CarbonylContact C-O 3.51Å; F74-R94 WeakPolarHBondContact CA-O 3.37Å; F74-C95 HydrophobicContact CB-CB 3.95Å; F74-V131 HydrophobicContact CD1-CG1 4.29Å; F74-V131 HydrophobicContact CD2-CG1 3.59Å; F74-V131 HydrophobicContact CE1-CG1 4.18Å; F74-V131 HydrophobicContact CE2-CB 4.06Å; F74-V131 HydrophobicContact CE2-CG1 3.49Å; F74-V131 VanDerWaalsContact CE2-CG1 3.49Å; F74-V131 HydrophobicContact CG-CG1 4Å; F74-V131 HydrophobicContact CZ-CB 4.22Å; F74-V131 HydrophobicContact CZ-CG1 3.79Å; F74-K132 HydrophobicContact CE1-CG 3.82Å; F74-K132 HydrophobicContact CZ-CG 3.76Å; F74-V135 HydrophobicContact CD1-CG1 4.35Å
75	I	90.3	Very high	77.9	Confident	48 Å²	48	56.1 Å²	56.1	25%	0.246	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123	177.4	-52.2	-178.2	0	0	0	107.2	F59 I60 K61 V93 R94	F59-I75 HydrophobicContact CB-CG2 3.91Å; F59-I75 HydrophobicContact CD2-CG2 4.24Å; F59-I75 HydrophobicContact CG-CG2 4.29Å; I60-I75 WeakPolarHBondContact O-CA 3.19Å; K61-I75 HydrophobicContact CD-CD1 4.46Å; K61-I75 HydrophobicContact CG-CD1 4.47Å; K61-I75 HydrophobicContact CG-CG1 4.14Å; K61-I75 HydrophobicContact CG-CG2 4.45Å; I75-V93 CarbonylContact O-C 3.47Å; I75-R94 PolarHBondContact N-O 3.12Å; I75-R94 PolarHBondContact O-N 3Å
76	L	93.4	Very high	79.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.4	171.7	-173.7	151.3	0	0	0	107.9	F59 I60 F74 C78 I91 T92 A127 V128 V131	F59-L76 CarbonylContact C-O 3.56Å; F59-L76 WeakPolarHBondContact CA-O 3.46Å; I60-L76 PolarHBondContact N-O 3.23Å; I60-L76 PolarHBondContact O-N 2.8Å; F74-L76 HydrophobicContact CE2-CB 4.36Å; L76-C78 HydrophobicContact CD2-CB 4.08Å; L76-I91 HydrophobicContact CD1-CG2 3.82Å; L76-I91 HydrophobicContact CD2-CG2 3.74Å; L76-I91 HydrophobicContact CG-CG2 3.62Å; L76-T92 CarbonylContact C-O 3.54Å; L76-T92 WeakPolarHBondContact CA-O 3.21Å; L76-A127 HydrophobicContact CD1-CB 4.12Å; L76-V128 HydrophobicContact CD1-CG2 3.93Å; L76-V131 HydrophobicContact CD1-CG2 4.41Å
77	T	91.8	Very high	80.9	Confident	30 Å²	30	51.3 Å²	51.3	18%	0.184	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.7	172.8	-57.5	0	0	0	0	108.9	F58 I91 T92	F58-T77 WeakPolarHBondContact O-CA 3.2Å; T77-I91 CarbonylContact O-C 3.49Å; T77-I91 WeakPolarHBondContact O-CA 3.21Å; T77-T92 PolarHBondContact N-O 2.87Å; T77-T92 PolarHBondContact O-N 3.42Å
78	C	92.7	Very high	82.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.9	-178.2	-172.8	0	0	0	0	110.1	Q57 F58 L76 Y80 D90 I91	Q57-C78 WeakPolarHBondContact CA-O 3.49Å; Q57-C78 WeakPolarHBondContact CG-O 3.25Å; F58-C78 HydrophobicContact CD2-CB 4.24Å; F58-C78 HydrophobicContact CE1-CB 4.24Å; F58-C78 HydrophobicContact CE2-CB 3.74Å; F58-C78 HydrophobicContact CZ-CB 3.75Å; F58-C78 PolarHBondContact N-O 3.27Å; F58-C78 PolarHBondContact O-N 3.02Å; L76-C78 HydrophobicContact CD2-CB 4.08Å; C78-Y80 WeakPolarHBondContact SG-CE1 3.39Å; C78-D90 WeakPolarHBondContact CA-O 3.33Å; C78-I91 HydrophobicContact CB-CG1 4.33Å
79	A	91.8	Very high	84.5	Confident	26 Å²	26	41.4 Å²	41.4	22%	0.215	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.9	168.1	0	0	0	0	0	109.4	Q57 P81 D90	Q57-A79 HydrophobicContact CB-CB 4.37Å; Q57-A79 HydrophobicContact CG-CB 4.13Å; A79-P81 WeakPolarHBondContact O-CD 3.4Å; A79-D90 HydrophobicContact CB-CB 4.29Å; A79-D90 PolarHBondContact N-O 2.8Å; A79-D90 PolarHBondContact O-N 3.38Å
80	Y	92.5	Very high	86.2	Confident	12 Å²	12	45.5 Å²	45.5	5%	0.047	25%	0.246	C	C	.	.			trans	-88.6	127	179.5	-69.6	-4.5	0	0	0	111.1	Q10 E13 V14 R55 P56 F58 C78 Y84 P89 V124	Q10-Y80 HydrophobicContact CB-CD2 3.89Å; Q10-Y80 HydrophobicContact CB-CE2 4.09Å; Q10-Y80 HydrophobicContact CG-CD2 3.78Å; Q10-Y80 HydrophobicContact CG-CE2 4.24Å; E13-Y80 PolarHBondContact OE2-OH 2.67Å; V14-Y80 HydrophobicContact CG2-CD2 4.45Å; V14-Y80 HydrophobicContact CG2-CE2 3.57Å; R55-Y80 WeakPolarHBondContact CB-O 3.44Å; R55-Y80 WeakPolarHBondContact CG-O 3.29Å; P56-Y80 PolarHBondContact O-N 3.4Å; F58-Y80 HydrophobicContact CE1-CD1 4.34Å; F58-Y80 AromaticContact CE1-CE1 3.67Å; F58-Y80 HydrophobicContact CE1-CE1 3.67Å; F58-Y80 HydrophobicContact CE1-CE2 4.25Å; F58-Y80 AromaticContact CE1-CZ 3.61Å; F58-Y80 AromaticContact CZ-CE1 3.76Å; F58-Y80 HydrophobicContact CZ-CE1 3.76Å; F58-Y80 AromaticContact CZ-CZ 3.77Å; F58-Y80 WeakPolarHBondContact CZ-OH 3.34Å; C78-Y80 WeakPolarHBondContact SG-CE1 3.39Å; Y80-Y84 AromaticContact CD1-CD1 3.86Å; Y80-Y84 HydrophobicContact CD1-CD1 3.86Å; Y80-Y84 AromaticContact CD1-CE1 3.98Å; Y80-Y84 HydrophobicContact CD1-CE1 3.98Å; Y80-Y84 HydrophobicContact CD2-CD1 4Å; Y80-Y84 HydrophobicContact CD2-CE1 4.26Å; Y80-Y84 HydrophobicContact CE1-CD1 4.11Å; Y80-Y84 AromaticContact CE1-CE1 3.74Å; Y80-Y84 HydrophobicContact CE1-CE1 3.74Å; Y80-Y84 HydrophobicContact CE2-CD1 4.21Å; Y80-Y84 AromaticContact CE2-CE1 4Å; Y80-Y84 HydrophobicContact CE2-CE1 4Å; Y80-Y84 AromaticContact CG-CD1 3.82Å; Y80-Y84 HydrophobicContact CG-CD1 3.82Å; Y80-Y84 HydrophobicContact CG-CE1 4.25Å; Y80-Y84 AromaticContact CZ-CE1 3.76Å; Y80-P89 HydrophobicContact CD1-CB 3.92Å; Y80-P89 HydrophobicContact CE1-CB 4.3Å; Y80-V124 HydrophobicContact CE1-CG2 3.7Å
81	P	91	Very high	88.2	Confident	28 Å²	28	38 Å²	38	18%	0.182	21%	0.206	C	C	.	.			trans	-66.6	158.9	159.4	-23.6	34.8	0	0	0	111.3	Q10 A79 E83 Y84 V87 L88	Q10-P81 PolarHBondContact NE2-O 2.83Å; A79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-E83 PolarHBondContact O-N 3.31Å; P81-Y84 PolarHBondContact O-N 3.32Å; P81-V87 HydrophobicContact CB-CG2 3.7Å; P81-V87 HydrophobicContact CG-CG2 3.94Å; P81-L88 WeakPolarHBondContact CG-O 2.98Å
82	S	89.6	Confident	89.6	Confident	27 Å²	27	32.6 Å²	32.6	19%	0.189	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.1	177.5	-67.2	0	0	0	0	113	Y3 Q10 R55	Y3-S82 WeakPolarHBondContact OH-CB 3.48Å; Y3-S82 PolarHBondContact OH-OG 3.03Å; Q10-S82 PolarHBondContact NE2-O 3.47Å; R55-S82 PolarHBondContact NH2-O 3.14Å
83	E	90.4	Very high	90.4	Very high	86 Å²	86	31.7 Å²	31.7	40%	0.402	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.3	-177.6	-55.8	80.1	-174.9	0	0	114	W6 P81 S86 V87	W6-E83 HydrophobicContact CE3-CB 4.29Å; W6-E83 HydrophobicContact CH2-CB 4.27Å; W6-E83 HydrophobicContact CH2-CG 4.29Å; W6-E83 HydrophobicContact CZ3-CB 4.04Å; W6-E83 HydrophobicContact CZ3-CG 3.92Å; P81-E83 PolarHBondContact O-N 3.31Å; E83-S86 WeakPolarHBondContact O-CA 3.19Å; E83-S86 VanDerWaalsContact O-CB 3.31Å; E83-S86 WeakPolarHBondContact O-CB 3.3Å; E83-S86 PolarHBondContact O-N 2.9Å; E83-S86 PolarHBondContact O-OG 2.82Å; E83-V87 HydrophobicContact CB-CG1 4.24Å; E83-V87 HydrophobicContact CB-CG2 3.89Å
84	Y	91.2	Very high	90.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	133.1	177.2	172.2	-107.6	0	0	0	110.1	Q10 E13 Y80 P81 V87 P89 L122 C123	Q10-Y84 HydrophobicContact CG-CD1 3.81Å; Q10-Y84 HydrophobicContact CG-CE1 4.48Å; Q10-Y84 PolarHBondContact NE2-O 2.97Å; E13-Y84 PolarHBondContact OE1-OH 3.15Å; E13-Y84 WeakPolarHBondContact OE2-CE1 3.46Å; E13-Y84 PolarHBondContact OE2-OH 2.93Å; Y80-Y84 AromaticContact CD1-CD1 3.86Å; Y80-Y84 HydrophobicContact CD1-CD1 3.86Å; Y80-Y84 AromaticContact CD1-CE1 3.98Å; Y80-Y84 HydrophobicContact CD1-CE1 3.98Å; Y80-Y84 HydrophobicContact CD2-CD1 4Å; Y80-Y84 HydrophobicContact CD2-CE1 4.26Å; Y80-Y84 HydrophobicContact CE1-CD1 4.11Å; Y80-Y84 AromaticContact CE1-CE1 3.74Å; Y80-Y84 HydrophobicContact CE1-CE1 3.74Å; Y80-Y84 HydrophobicContact CE2-CD1 4.21Å; Y80-Y84 AromaticContact CE2-CE1 4Å; Y80-Y84 HydrophobicContact CE2-CE1 4Å; Y80-Y84 AromaticContact CG-CD1 3.82Å; Y80-Y84 HydrophobicContact CG-CD1 3.82Å; Y80-Y84 HydrophobicContact CG-CE1 4.25Å; Y80-Y84 AromaticContact CZ-CE1 3.76Å; P81-Y84 PolarHBondContact O-N 3.32Å; Y84-V87 VanDerWaalsContact CD2-O 3.23Å; Y84-V87 WeakPolarHBondContact CD2-O 3.39Å; Y84-P89 HydrophobicContact CD2-CB 3.93Å; Y84-P89 VanDerWaalsContact CD2-CD 3.45Å; Y84-P89 HydrophobicContact CD2-CG 3.85Å; Y84-P89 HydrophobicContact CE2-CB 4.1Å; Y84-P89 VanDerWaalsContact CE2-CD 3.4Å; Y84-P89 HydrophobicContact CE2-CG 3.57Å; Y84-P89 HydrophobicContact CG-CB 4.29Å; Y84-L122 HydrophobicContact CE1-CD2 4Å; Y84-L122 WeakPolarHBondContact OH-CA 3.43Å; Y84-C123 PolarHBondContact OH-N 3.32Å
85	P	89.5	Confident	90.1	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.026	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.8	3.9	13.7	34.8	-37.5	0	0	0	118	M1 V87 G120 D121 L122	M1-P85 HydrophobicContact CE-CG 4.34Å; P85-V87 CarbonylContact C-O 3.43Å; P85-V87 PolarHBondContact O-N 2.77Å; P85-G120 CarbonylContact O-C 3.49Å; P85-G120 WeakPolarHBondContact O-CA 3.29Å; P85-G120 PolarHBondContact O-N 2.87Å; P85-D121 WeakPolarHBondContact CB-O 3.35Å; P85-L122 HydrophobicContact CB-CD2 4.32Å; P85-L122 HydrophobicContact CG-CD2 4.3Å
86	S	89	Confident	89.5	Confident	46 Å²	46	39.5 Å²	39.5	32%	0.322	22%	0.22	S	C	.	.	S	Bend	trans	-65.7	-27.4	178.7	74.3	0	0	0	0	113.7	W6 E83	W6-S86 VanDerWaalsContact CZ2-OG 3.31Å; W6-S86 WeakPolarHBondContact CZ2-OG 3.48Å; E83-S86 WeakPolarHBondContact O-CA 3.19Å; E83-S86 VanDerWaalsContact O-CB 3.31Å; E83-S86 WeakPolarHBondContact O-CB 3.3Å; E83-S86 PolarHBondContact O-N 2.9Å; E83-S86 PolarHBondContact O-OG 2.82Å
87	V	90.8	Very high	88.8	Confident	57 Å²	57	41 Å²	41	35%	0.345	23%	0.233	S	C	.	.	S	Bend	trans	-113.4	160.6	164	-58.2	0	0	0	0	108.6	P81 E83 Y84 P85	P81-V87 HydrophobicContact CB-CG2 3.7Å; P81-V87 HydrophobicContact CG-CG2 3.94Å; E83-V87 HydrophobicContact CB-CG1 4.24Å; E83-V87 HydrophobicContact CB-CG2 3.89Å; Y84-V87 VanDerWaalsContact CD2-O 3.23Å; Y84-V87 WeakPolarHBondContact CD2-O 3.39Å; P85-V87 CarbonylContact C-O 3.43Å; P85-V87 PolarHBondContact O-N 2.77Å
88	L	88.7	Confident	88.1	Confident	33 Å²	33	40.5 Å²	40.5	17%	0.173	23%	0.229	C	C	.	.			trans	-71.7	153	176.3	-68.3	179.4	0	0	0	112.2	P81 L114 M115 L119	P81-L88 WeakPolarHBondContact CG-O 2.98Å; L88-L114 HydrophobicContact CD1-CB 3.81Å; L88-L114 HydrophobicContact CD2-CB 3.99Å; L88-M115 HydrophobicContact CD1-CB 4.22Å; L88-M115 HydrophobicContact CD1-CG 3.42Å; L88-M115 VanDerWaalsContact CD1-CG 3.42Å; L88-L119 HydrophobicContact CD2-CD1 4.32Å; L88-L119 HydrophobicContact CG-CD1 4.11Å
89	P	91.6	Very high	87.4	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.032	25%	0.245	C	C	.	.			trans	-75.9	154.7	170.8	31.4	-26.4	0	0	0	110.7	Y80 Y84 I91 C123 V124	Y80-P89 HydrophobicContact CD1-CB 3.92Å; Y80-P89 HydrophobicContact CE1-CB 4.3Å; Y84-P89 HydrophobicContact CD2-CB 3.93Å; Y84-P89 VanDerWaalsContact CD2-CD 3.45Å; Y84-P89 HydrophobicContact CD2-CG 3.85Å; Y84-P89 HydrophobicContact CE2-CB 4.1Å; Y84-P89 VanDerWaalsContact CE2-CD 3.4Å; Y84-P89 HydrophobicContact CE2-CG 3.57Å; Y84-P89 HydrophobicContact CG-CB 4.29Å; P89-I91 HydrophobicContact CB-CG1 4.34Å; P89-I91 HydrophobicContact CG-CD1 3.86Å; P89-I91 HydrophobicContact CG-CG1 3.97Å; P89-I91 PolarHBondContact O-N 3.35Å; P89-C123 WeakPolarHBondContact CD-SG 3.47Å; P89-C123 VanDerWaalsContact CG-SG 3.55Å; P89-V124 HydrophobicContact CG-CG2 4.43Å
90	D	90.7	Very high	86.7	Confident	116 Å²	116	52 Å²	52	62%	0.62	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	92.3	175.8	-78.1	-36	0	0	0	109.3	C78 A79	C78-D90 WeakPolarHBondContact CA-O 3.33Å; A79-D90 HydrophobicContact CB-CB 4.29Å; A79-D90 PolarHBondContact N-O 2.8Å; A79-D90 PolarHBondContact O-N 3.38Å
91	I	91.9	Very high	85.9	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.7	179.1	-62.7	-179	0	0	0	110.1	L76 T77 C78 P89 Q107 L110 L114 A127	L76-I91 HydrophobicContact CD1-CG2 3.82Å; L76-I91 HydrophobicContact CD2-CG2 3.74Å; L76-I91 HydrophobicContact CG-CG2 3.62Å; T77-I91 CarbonylContact O-C 3.49Å; T77-I91 WeakPolarHBondContact O-CA 3.21Å; C78-I91 HydrophobicContact CB-CG1 4.33Å; P89-I91 HydrophobicContact CB-CG1 4.34Å; P89-I91 HydrophobicContact CG-CD1 3.86Å; P89-I91 HydrophobicContact CG-CG1 3.97Å; P89-I91 PolarHBondContact O-N 3.35Å; I91-Q107 PolarHBondContact O-NE2 2.88Å; I91-L110 HydrophobicContact CG2-CD2 3.79Å; I91-L114 HydrophobicContact CD1-CD1 3.96Å; I91-A127 HydrophobicContact CD1-CB 3.51Å
92	T	89.8	Confident	85.5	Confident	60 Å²	60	53.8 Å²	53.8	37%	0.368	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.1	170.4	59.1	0	0	0	0	111.1	L76 T77	L76-T92 CarbonylContact C-O 3.54Å; L76-T92 WeakPolarHBondContact CA-O 3.21Å; T77-T92 PolarHBondContact N-O 2.87Å; T77-T92 PolarHBondContact O-N 3.42Å
93	V	88.6	Confident	85.2	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.3	176.2	-176.4	0	0	0	0	108.8	F74 I75 Q103 I106 L110 V131	F74-V93 HydrophobicContact CD2-CG1 4.49Å; I75-V93 CarbonylContact O-C 3.47Å; V93-Q103 VanDerWaalsContact O-CD 3.31Å; V93-Q103 PolarHBondContact O-NE2 2.96Å; V93-I106 HydrophobicContact CG1-CD1 4.41Å; V93-L110 HydrophobicContact CG2-CD2 3.57Å; V93-V131 HydrophobicContact CG1-CG1 3.89Å; V93-V131 HydrophobicContact CG2-CG1 4.4Å; V93-V131 HydrophobicContact CG2-CG2 3.61Å
94	R	84.6	Confident	84.8	Confident	173 Å²	173	54.6 Å²	54.6	65%	0.653	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.3	168.6	-67.7	-170.6	179.5	174	4	109.8	F74 I75	F74-R94 CarbonylContact C-O 3.51Å; F74-R94 WeakPolarHBondContact CA-O 3.37Å; I75-R94 PolarHBondContact N-O 3.12Å; I75-R94 PolarHBondContact O-N 3Å
95	C	82.6	Confident	84.6	Confident	7 Å²	7	57.4 Å²	57.4	5%	0.047	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129	172.5	-179.5	0	0	0	0	108.7	E73 F74 A97 L98 V135	E73-C95 PolarHBondContact O-SG 3.3Å; F74-C95 HydrophobicContact CB-CB 3.95Å; C95-A97 PolarHBondContact O-N 3.11Å; C95-L98 HydrophobicContact CB-CB 4.46Å; C95-L98 HydrophobicContact CB-CD1 3.83Å; C95-L98 HydrophobicContact CB-CG 3.84Å; C95-L98 PolarHBondContact O-N 3.29Å; C95-L98 VanDerWaalsContact O-N 3.14Å; C95-V135 HydrophobicContact CB-CG2 4.44Å
96	S	77.6	Confident	84.7	Confident	112 Å²	112	57.2 Å²	57.2	78%	0.783	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.7	-178.8	52.4	0	0	0	0	112.7	L98	S96-L98 VanDerWaalsContact C-N 3.32Å
97	A	78.1	Confident	84.7	Confident	33 Å²	33	56.8 Å²	56.8	27%	0.273	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6	178.9	0	0	0	0	0	114.3	T72 C95 I139	T72-A97 HydrophobicContact CG2-CB 3.72Å; C95-A97 PolarHBondContact O-N 3.11Å; A97-I139 HydrophobicContact CB-CD1 4.05Å; A97-I139 HydrophobicContact CB-CG1 3.96Å; A97-I139 HydrophobicContact CB-CG2 3.87Å
98	L	78.1	Confident	84.6	Confident	18 Å²	18	57 Å²	57	9%	0.094	31%	0.306	C	S	.	.	S	Bend	trans	-94.6	134.2	177.8	-64.1	179.8	0	0	0	111.7	C95 S96 Q102 I106 V135 F138 I139	C95-L98 HydrophobicContact CB-CB 4.46Å; C95-L98 HydrophobicContact CB-CD1 3.83Å; C95-L98 HydrophobicContact CB-CG 3.84Å; C95-L98 PolarHBondContact O-N 3.29Å; C95-L98 VanDerWaalsContact O-N 3.14Å; S96-L98 VanDerWaalsContact C-N 3.32Å; L98-Q102 HydrophobicContact CB-CB 4.43Å; L98-Q102 HydrophobicContact CD2-CB 4.17Å; L98-I106 HydrophobicContact CD1-CD1 4.15Å; L98-I106 HydrophobicContact CD1-CG2 3.9Å; L98-V135 HydrophobicContact CD1-CG2 4.33Å; L98-F138 HydrophobicContact CD2-CB 3.65Å; L98-I139 HydrophobicContact CD2-CB 4.37Å; L98-I139 HydrophobicContact CD2-CG1 3.61Å; L98-I139 HydrophobicContact CG-CG1 4.28Å
99	S	77.5	Confident	84.7	Confident	47 Å²	47	57.6 Å²	57.6	33%	0.329	31%	0.309	S	S	.	.			trans	-67.5	163.3	166.4	70.7	0	0	0	0	111.5	A101 Q102 Q103 S142	S99-A101 VanDerWaalsContact C-N 3.26Å; S99-A101 PolarHBondContact O-N 3.34Å; S99-Q102 PolarHBondContact O-N 3.48Å; S99-Q102 VanDerWaalsContact O-N 3.16Å; S99-Q102 WeakPolarHBondContact OG-CG 3.45Å; S99-Q102 PolarHBondContact OG-N 3.45Å; S99-Q103 WeakPolarHBondContact O-CB 3.25Å; S99-Q103 PolarHBondContact O-N 2.73Å; S99-S142 PolarHBondContact N-OG 2.94Å
100	R	77	Confident	84.7	Confident	220 Å²	220	57.4 Å²	57.4	83%	0.83	31%	0.308	S	S	*	.	H	α-helix	trans	-55.7	-41.4	177	-178.1	-176.8	-72.5	-97.2	1.9	112.2	Q103 T104	R100-Q103 PolarHBondContact O-N 3.38Å; R100-T104 PolarHBondContact O-N 3.46Å; R100-T104 VanDerWaalsContact O-N 3.07Å; R100-T104 PolarHBondContact O-OG1 3.21Å
101	A	76.4	Confident	84.6	Confident	69 Å²	69	54.9 Å²	54.9	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-64.8	-45.1	179	0	0	0	0	0	111.3	S99 Q103 T104 E105	S99-A101 VanDerWaalsContact C-N 3.26Å; S99-A101 PolarHBondContact O-N 3.34Å; A101-Q103 VanDerWaalsContact C-N 3.34Å; A101-Q103 PolarHBondContact O-N 3.06Å; A101-T104 PolarHBondContact O-N 3.43Å; A101-E105 WeakPolarHBondContact O-CB 3.47Å; A101-E105 PolarHBondContact O-N 3.07Å
102	Q	81.6	Confident	84.5	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-69.2	-32.4	178.3	-65.5	-61.9	-60.3	0	0	112.3	L98 S99 E105 I106 F138	L98-Q102 HydrophobicContact CB-CB 4.43Å; L98-Q102 HydrophobicContact CD2-CB 4.17Å; S99-Q102 PolarHBondContact O-N 3.48Å; S99-Q102 VanDerWaalsContact O-N 3.16Å; S99-Q102 WeakPolarHBondContact OG-CG 3.45Å; S99-Q102 PolarHBondContact OG-N 3.45Å; Q102-E105 PolarHBondContact NE2-OE2 2.92Å; Q102-E105 PolarHBondContact O-N 3.43Å; Q102-E105 PolarHBondContact OE1-OE2 3.47Å; Q102-I106 WeakPolarHBondContact O-CG2 3.2Å; Q102-I106 PolarHBondContact O-N 3.26Å; Q102-F138 PolarHBondContact OE1-O 3.1Å
103	Q	83.1	Confident	84.6	Confident	43 Å²	43	60.9 Å²	60.9	20%	0.201	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-39	173	-169.9	65.1	79.2	0	0	112.2	V93 S99 R100 A101 I106 Q107	V93-Q103 VanDerWaalsContact O-CD 3.31Å; V93-Q103 PolarHBondContact O-NE2 2.96Å; S99-Q103 WeakPolarHBondContact O-CB 3.25Å; S99-Q103 PolarHBondContact O-N 2.73Å; R100-Q103 PolarHBondContact O-N 3.38Å; A101-Q103 VanDerWaalsContact C-N 3.34Å; A101-Q103 PolarHBondContact O-N 3.06Å; Q103-I106 VanDerWaalsContact O-CG2 3.3Å; Q103-I106 WeakPolarHBondContact O-CG2 3.42Å; Q103-Q107 VanDerWaalsContact O-CB 3.29Å; Q103-Q107 WeakPolarHBondContact O-CB 3.46Å; Q103-Q107 PolarHBondContact O-N 2.91Å
104	T	82.9	Confident	84.5	Confident	87 Å²	87	60.7 Å²	60.7	53%	0.534	31%	0.313	S	S	.	.	H	α-helix	trans	-70.5	-38.4	172.9	-59.7	0	0	0	0	111.5	R100 A101 Q107 T108	R100-T104 PolarHBondContact O-N 3.46Å; R100-T104 VanDerWaalsContact O-N 3.07Å; R100-T104 PolarHBondContact O-OG1 3.21Å; A101-T104 PolarHBondContact O-N 3.43Å; T104-Q107 PolarHBondContact O-N 3.48Å; T104-T108 WeakPolarHBondContact O-CB 3.43Å; T104-T108 PolarHBondContact O-N 3.25Å; T104-T108 PolarHBondContact O-OG1 2.73Å
105	E	86.9	Confident	84.7	Confident	59 Å²	59	58.5 Å²	58.5	28%	0.276	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-52.2	179	-161.8	179.2	173.7	0	0	111.6	A101 Q102 Q107 T108 D109 F138 K141	A101-E105 WeakPolarHBondContact O-CB 3.47Å; A101-E105 PolarHBondContact O-N 3.07Å; Q102-E105 PolarHBondContact NE2-OE2 2.92Å; Q102-E105 PolarHBondContact O-N 3.43Å; Q102-E105 PolarHBondContact OE1-OE2 3.47Å; E105-Q107 VanDerWaalsContact C-N 3.28Å; E105-Q107 PolarHBondContact O-N 2.81Å; E105-T108 WeakPolarHBondContact O-CB 3.43Å; E105-T108 PolarHBondContact O-N 2.68Å; E105-T108 VanDerWaalsContact O-N 3.09Å; E105-D109 PolarHBondContact O-N 2.99Å; E105-F138 HydrophobicContact CB-CD1 4.49Å; E105-F138 HydrophobicContact CB-CE1 4.17Å; E105-F138 HydrophobicContact CG-CD1 4.49Å; E105-F138 HydrophobicContact CG-CE1 3.82Å; E105-K141 IonicContact OE1-NZ 3.24Å; E105-K141 PolarHBondContact OE1-NZ 2.76Å; E105-K141 IonicContact OE2-NZ 3.33Å; E105-K141 PolarHBondContact OE2-NZ 2.98Å
106	I	90.1	Very high	85	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-38.7	177.5	-166.1	171.6	0	0	0	111.8	V93 L98 Q102 Q103 T108 D109 L110 W130 V131 V135 F138	V93-I106 HydrophobicContact CG1-CD1 4.41Å; L98-I106 HydrophobicContact CD1-CD1 4.15Å; L98-I106 HydrophobicContact CD1-CG2 3.9Å; Q102-I106 WeakPolarHBondContact O-CG2 3.2Å; Q102-I106 PolarHBondContact O-N 3.26Å; Q103-I106 VanDerWaalsContact O-CG2 3.3Å; Q103-I106 WeakPolarHBondContact O-CG2 3.42Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-D109 PolarHBondContact O-N 3.39Å; I106-L110 WeakPolarHBondContact O-CB 3.45Å; I106-L110 PolarHBondContact O-N 3.46Å; I106-W130 HydrophobicContact CG1-CH2 4.36Å; I106-W130 HydrophobicContact CG1-CZ3 3.85Å; I106-V131 HydrophobicContact CD1-CG1 4.4Å; I106-V135 HydrophobicContact CD1-CB 4.05Å; I106-V135 HydrophobicContact CD1-CG2 4.07Å; I106-F138 HydrophobicContact CB-CD1 4.33Å; I106-F138 HydrophobicContact CB-CD2 3.89Å; I106-F138 HydrophobicContact CB-CE1 4.43Å; I106-F138 HydrophobicContact CB-CE2 3.98Å; I106-F138 HydrophobicContact CB-CG 4.08Å; I106-F138 HydrophobicContact CB-CZ 4.26Å; I106-F138 HydrophobicContact CD1-CD2 3.69Å; I106-F138 HydrophobicContact CD1-CE2 4.2Å; I106-F138 HydrophobicContact CD1-CG 4.34Å; I106-F138 HydrophobicContact CG1-CD2 3.65Å; I106-F138 HydrophobicContact CG1-CE2 3.69Å; I106-F138 HydrophobicContact CG1-CG 4.32Å; I106-F138 HydrophobicContact CG1-CZ 4.39Å
107	Q	89.5	Confident	85.1	Confident	37 Å²	37	65.2 Å²	65.2	17%	0.173	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-41.3	176.7	-176	63.4	53.6	0	0	111.6	I91 Q103 T104 E105 N111	I91-Q107 PolarHBondContact O-NE2 2.88Å; Q103-Q107 VanDerWaalsContact O-CB 3.29Å; Q103-Q107 WeakPolarHBondContact O-CB 3.46Å; Q103-Q107 PolarHBondContact O-N 2.91Å; T104-Q107 PolarHBondContact O-N 3.48Å; E105-Q107 VanDerWaalsContact C-N 3.28Å; E105-Q107 PolarHBondContact O-N 2.81Å; Q107-N111 PolarHBondContact NE2-ND2 3.42Å; Q107-N111 PolarHBondContact NE2-OD1 3.49Å; Q107-N111 WeakPolarHBondContact O-CB 3.28Å; Q107-N111 VanDerWaalsContact O-CG 3.32Å; Q107-N111 PolarHBondContact O-N 3Å; Q107-N111 VanDerWaalsContact O-N 3.1Å; Q107-N111 PolarHBondContact O-ND2 3.12Å
108	T	88.6	Confident	85.3	Confident	62 Å²	62	64.2 Å²	64.2	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-66.9	-44.4	179.5	-59.3	0	0	0	0	110.8	T104 E105 I106 N111 K112	T104-T108 WeakPolarHBondContact O-CB 3.43Å; T104-T108 PolarHBondContact O-N 3.25Å; T104-T108 PolarHBondContact O-OG1 2.73Å; E105-T108 WeakPolarHBondContact O-CB 3.43Å; E105-T108 PolarHBondContact O-N 2.68Å; E105-T108 VanDerWaalsContact O-N 3.09Å; I106-T108 VanDerWaalsContact C-N 3.34Å; T108-N111 PolarHBondContact O-N 3.3Å; T108-K112 WeakPolarHBondContact O-CG 3.31Å; T108-K112 PolarHBondContact O-N 3.24Å
109	D	91.4	Very high	85.6	Confident	45 Å²	45	68.1 Å²	68.1	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-74.5	-35.1	-177.7	-73	-8.2	0	0	0	112.5	E105 I106 K112 Y113 W130 F138	E105-D109 PolarHBondContact O-N 2.99Å; I106-D109 PolarHBondContact O-N 3.39Å; D109-K112 PolarHBondContact O-N 3.49Å; D109-K112 IonicContact OD1-NZ 2.71Å; D109-K112 PolarHBondContact OD1-NZ 2.94Å; D109-Y113 WeakPolarHBondContact O-CB 3.33Å; D109-Y113 PolarHBondContact O-N 3.3Å; D109-W130 HydrophobicContact CB-CH2 3.71Å; D109-W130 HydrophobicContact CB-CZ2 3.98Å; D109-F138 HydrophobicContact CB-CZ 4.38Å
110	L	91.2	Very high	85.8	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-49	169.8	176.6	61.2	0	0	0	110.8	I91 V93 I106 K112 Y113 L114 A127 W130 V131	I91-L110 HydrophobicContact CG2-CD2 3.79Å; V93-L110 HydrophobicContact CG2-CD2 3.57Å; I106-L110 WeakPolarHBondContact O-CB 3.45Å; I106-L110 PolarHBondContact O-N 3.46Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 2.95Å; L110-Y113 HydrophobicContact CD1-CD1 4.48Å; L110-Y113 WeakPolarHBondContact O-CB 3.33Å; L110-Y113 PolarHBondContact O-N 3.32Å; L110-Y113 VanDerWaalsContact O-N 3.12Å; L110-L114 HydrophobicContact CD1-CD1 3.99Å; L110-L114 HydrophobicContact CD1-CD2 4.43Å; L110-L114 HydrophobicContact CD1-CG 4.01Å; L110-L114 HydrophobicContact CG-CD1 3.98Å; L110-L114 HydrophobicContact CG-CG 4.38Å; L110-L114 WeakPolarHBondContact O-CG 3.26Å; L110-L114 PolarHBondContact O-N 3.34Å; L110-A127 HydrophobicContact CD1-CB 4.05Å; L110-W130 HydrophobicContact CB-CE3 3.98Å; L110-W130 HydrophobicContact CB-CH2 4.3Å; L110-W130 HydrophobicContact CB-CZ3 3.69Å; L110-W130 HydrophobicContact CD1-CB 4.5Å; L110-W130 HydrophobicContact CD1-CD2 4.13Å; L110-W130 HydrophobicContact CD1-CE3 3.65Å; L110-W130 HydrophobicContact CD1-CG 4.5Å; L110-W130 HydrophobicContact CD1-CZ3 4.27Å; L110-W130 HydrophobicContact CG-CE3 4.38Å; L110-V131 HydrophobicContact CD1-CG2 4.23Å; L110-V131 HydrophobicContact CD2-CG2 3.97Å
111	N	90.1	Very high	86.2	Confident	63 Å²	63	61.8 Å²	61.8	34%	0.337	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-41.5	178.7	-77.6	-14.5	0	0	0	111.9	Q107 T108 Y113 L114 M115	Q107-N111 PolarHBondContact NE2-ND2 3.42Å; Q107-N111 PolarHBondContact NE2-OD1 3.49Å; Q107-N111 WeakPolarHBondContact O-CB 3.28Å; Q107-N111 VanDerWaalsContact O-CG 3.32Å; Q107-N111 PolarHBondContact O-N 3Å; Q107-N111 VanDerWaalsContact O-N 3.1Å; Q107-N111 PolarHBondContact O-ND2 3.12Å; T108-N111 PolarHBondContact O-N 3.3Å; N111-Y113 VanDerWaalsContact C-N 3.35Å; N111-Y113 PolarHBondContact O-N 2.81Å; N111-L114 PolarHBondContact O-N 2.86Å; N111-M115 WeakPolarHBondContact O-CB 3.46Å; N111-M115 VanDerWaalsContact O-CG 3.25Å; N111-M115 WeakPolarHBondContact O-CG 3.35Å; N111-M115 PolarHBondContact O-N 3.25Å
112	K	89.9	Confident	86.5	Confident	122 Å²	122	62.1 Å²	62.1	53%	0.53	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-42.9	174	-71.5	171.9	-167.2	153.4	0	112.1	T108 D109 L110 K116	T108-K112 WeakPolarHBondContact O-CG 3.31Å; T108-K112 PolarHBondContact O-N 3.24Å; D109-K112 PolarHBondContact O-N 3.49Å; D109-K112 IonicContact OD1-NZ 2.71Å; D109-K112 PolarHBondContact OD1-NZ 2.94Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 2.95Å; K112-K116 WeakPolarHBondContact O-CB 3.27Å; K112-K116 PolarHBondContact O-N 3.15Å; K112-K116 VanDerWaalsContact O-N 3.11Å
113	Y	90.9	Very high	86.8	Confident	68 Å²	68	61.7 Å²	61.7	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-49	177.8	167.5	-99.7	0	0	0	111.2	D109 L110 N111 K116 N117 A126 W130	D109-Y113 WeakPolarHBondContact O-CB 3.33Å; D109-Y113 PolarHBondContact O-N 3.3Å; L110-Y113 HydrophobicContact CD1-CD1 4.48Å; L110-Y113 WeakPolarHBondContact O-CB 3.33Å; L110-Y113 PolarHBondContact O-N 3.32Å; L110-Y113 VanDerWaalsContact O-N 3.12Å; N111-Y113 VanDerWaalsContact C-N 3.35Å; N111-Y113 PolarHBondContact O-N 2.81Å; Y113-K116 PolarHBondContact O-N 2.87Å; Y113-N117 WeakPolarHBondContact CD2-ND2 3.47Å; Y113-N117 HydrophobicContact CE2-CB 4.25Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.26Å; Y113-N117 WeakPolarHBondContact O-CB 3.33Å; Y113-N117 PolarHBondContact O-N 2.83Å; Y113-N117 PolarHBondContact O-ND2 2.89Å; Y113-A126 HydrophobicContact CE1-CB 4.47Å; Y113-W130 HydrophobicContact CD1-CB 3.98Å; Y113-W130 AromaticContact CD1-CD1 3.62Å; Y113-W130 HydrophobicContact CD1-CD2 4.41Å; Y113-W130 AromaticContact CD1-CG 3.72Å; Y113-W130 HydrophobicContact CD1-CG 3.72Å; Y113-W130 AromaticContact CD2-CD1 3.43Å; Y113-W130 VanDerWaalsContact CD2-CD1 3.43Å; Y113-W130 HydrophobicContact CD2-CG 4.33Å; Y113-W130 AromaticContact CD2-NE1 3.68Å; Y113-W130 HydrophobicContact CE1-CB 3.79Å; Y113-W130 AromaticContact CE1-CD1 3.85Å; Y113-W130 AromaticContact CE1-CG 3.96Å; Y113-W130 HydrophobicContact CE1-CG 3.96Å; Y113-W130 AromaticContact CE2-CD1 3.69Å; Y113-W130 AromaticContact CG-CD1 3.4Å; Y113-W130 HydrophobicContact CG-CD2 4.43Å; Y113-W130 AromaticContact CG-CG 3.92Å; Y113-W130 HydrophobicContact CG-CG 3.92Å; Y113-W130 AromaticContact CG-NE1 3.61Å; Y113-W130 AromaticContact CZ-CD1 3.89Å
114	L	86.9	Confident	87.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-43.8	-179.7	-64.7	175.3	0	0	0	111.9	L88 I91 L110 N111 K116 N117 C118 L119 C123 A127	L88-L114 HydrophobicContact CD1-CB 3.81Å; L88-L114 HydrophobicContact CD2-CB 3.99Å; I91-L114 HydrophobicContact CD1-CD1 3.96Å; L110-L114 HydrophobicContact CD1-CD1 3.99Å; L110-L114 HydrophobicContact CD1-CD2 4.43Å; L110-L114 HydrophobicContact CD1-CG 4.01Å; L110-L114 HydrophobicContact CG-CD1 3.98Å; L110-L114 HydrophobicContact CG-CG 4.38Å; L110-L114 WeakPolarHBondContact O-CG 3.26Å; L110-L114 PolarHBondContact O-N 3.34Å; N111-L114 PolarHBondContact O-N 2.86Å; L114-K116 PolarHBondContact O-N 3.18Å; L114-N117 PolarHBondContact O-N 3.45Å; L114-C118 HydrophobicContact CD2-CB 4.36Å; L114-C118 CarbonylContact O-C 3.5Å; L114-C118 WeakPolarHBondContact O-CA 3.27Å; L114-C118 PolarHBondContact O-N 3.15Å; L114-L119 PolarHBondContact O-N 3.44Å; L114-C123 HydrophobicContact CD2-CB 4.08Å; L114-A127 HydrophobicContact CD1-CB 4.27Å; L114-A127 HydrophobicContact CD2-CB 3.98Å
115	M	88.4	Confident	87.4	Confident	126 Å²	126	57.7 Å²	57.7	62%	0.621	29%	0.292	S	S	*	.	H	α-helix	trans	-60.8	-35.8	177.4	-75.2	-176.4	76.3	0	0	112.5	L88 N111	L88-M115 HydrophobicContact CD1-CB 4.22Å; L88-M115 HydrophobicContact CD1-CG 3.42Å; L88-M115 VanDerWaalsContact CD1-CG 3.42Å; N111-M115 WeakPolarHBondContact O-CB 3.46Å; N111-M115 VanDerWaalsContact O-CG 3.25Å; N111-M115 WeakPolarHBondContact O-CG 3.35Å; N111-M115 PolarHBondContact O-N 3.25Å
116	K	88.3	Confident	87.3	Confident	174 Å²	174	56.2 Å²	56.2	76%	0.757	29%	0.289	S	S	*	.	H	α-helix	trans	-81.1	-38.7	-177	-176.9	-179.5	175.7	-173.3	0	112.8	K112 Y113 L114	K112-K116 WeakPolarHBondContact O-CB 3.27Å; K112-K116 PolarHBondContact O-N 3.15Å; K112-K116 VanDerWaalsContact O-N 3.11Å; Y113-K116 PolarHBondContact O-N 2.87Å; L114-K116 PolarHBondContact O-N 3.18Å
117	N	80.4	Confident	87.3	Confident	87 Å²	87	56.2 Å²	56.2	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-114.6	-14.4	-165.2	-55	-72.4	0	0	0	114.2	Y113 L114	Y113-N117 WeakPolarHBondContact CD2-ND2 3.47Å; Y113-N117 HydrophobicContact CE2-CB 4.25Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.26Å; Y113-N117 WeakPolarHBondContact O-CB 3.33Å; Y113-N117 PolarHBondContact O-N 2.83Å; Y113-N117 PolarHBondContact O-ND2 2.89Å; L114-N117 PolarHBondContact O-N 3.45Å
118	C	82	Confident	87.2	Confident	11 Å²	11	54.4 Å²	54.4	7%	0.074	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	3.9	-168.9	-46.4	0	0	0	0	114.3	L114 G120 D121 C123	L114-C118 HydrophobicContact CD2-CB 4.36Å; L114-C118 CarbonylContact O-C 3.5Å; L114-C118 WeakPolarHBondContact O-CA 3.27Å; L114-C118 PolarHBondContact O-N 3.15Å; C118-G120 PolarHBondContact O-N 3.23Å; C118-D121 PolarHBondContact O-N 3.36Å; C118-D121 VanDerWaalsContact O-N 3.11Å; C118-C123 HydrophobicContact CB-CB 3.3Å
119	L	83.8	Confident	87.1	Confident	101 Å²	101	54.6 Å²	54.6	53%	0.529	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	124	176.8	-176.5	70.5	0	0	0	110	L88 L114	L88-L119 HydrophobicContact CD2-CD1 4.32Å; L88-L119 HydrophobicContact CG-CD1 4.11Å; L114-L119 PolarHBondContact O-N 3.44Å
120	G	81.9	Confident	87.1	Confident	24 Å²	24	54 Å²	54	25%	0.247	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-9.6	-176.4	0	0	0	0	0	114.2	P85 C118	P85-G120 CarbonylContact O-C 3.49Å; P85-G120 WeakPolarHBondContact O-CA 3.29Å; P85-G120 PolarHBondContact O-N 2.87Å; C118-G120 PolarHBondContact O-N 3.23Å
121	D	85.1	Confident	87.1	Confident	109 Å²	109	54 Å²	54	58%	0.583	27%	0.274	S	S	*	.	S	Bend	trans	-123.9	164.1	-177.5	-71.3	-42.4	0	0	0	112.2	P85 C118 C123	P85-D121 WeakPolarHBondContact CB-O 3.35Å; C118-D121 PolarHBondContact O-N 3.36Å; C118-D121 VanDerWaalsContact O-N 3.11Å; D121-C123 PolarHBondContact O-N 3.17Å
122	L	83.6	Confident	87	Confident	77 Å²	77	54 Å²	54	40%	0.403	27%	0.271	S	S	.	.			trans	-69.3	122.3	174.4	-62.1	176.8	0	0	0	110	E13 Y84 P85	E13-L122 HydrophobicContact CB-CD1 4Å; E13-L122 HydrophobicContact CB-CD2 3.99Å; E13-L122 HydrophobicContact CB-CG 4.43Å; E13-L122 HydrophobicContact CG-CB 4.32Å; E13-L122 HydrophobicContact CG-CD1 4.42Å; E13-L122 HydrophobicContact CG-CD2 4.4Å; Y84-L122 HydrophobicContact CE1-CD2 4Å; Y84-L122 WeakPolarHBondContact OH-CA 3.43Å; P85-L122 HydrophobicContact CB-CD2 4.32Å; P85-L122 HydrophobicContact CG-CD2 4.3Å
123	C	88.4	Confident	86.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.			trans	-131	1.4	-162.6	78.8	0	0	0	0	115.4	E13 Y84 P89 L114 C118 D121 A126 A127	E13-C123 PolarHBondContact OE1-N 2.89Å; Y84-C123 PolarHBondContact OH-N 3.32Å; P89-C123 WeakPolarHBondContact CD-SG 3.47Å; P89-C123 VanDerWaalsContact CG-SG 3.55Å; L114-C123 HydrophobicContact CD2-CB 4.08Å; C118-C123 HydrophobicContact CB-CB 3.3Å; D121-C123 PolarHBondContact O-N 3.17Å; C123-A126 PolarHBondContact O-N 2.88Å; C123-A127 WeakPolarHBondContact O-CB 3.44Å; C123-A127 PolarHBondContact O-N 3.24Å
124	V	90.6	Very high	86.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.2	-43	-174.9	179.2	0	0	0	0	111.2	E13 L17 F58 I60 Y80 P89 A127 V128	E13-V124 WeakPolarHBondContact OE1-CB 3.31Å; E13-V124 WeakPolarHBondContact OE1-CG2 3.47Å; E13-V124 PolarHBondContact OE1-N 3Å; L17-V124 HydrophobicContact CD1-CB 3.92Å; L17-V124 HydrophobicContact CD1-CG1 3.66Å; L17-V124 HydrophobicContact CD1-CG2 4.46Å; L17-V124 HydrophobicContact CD2-CB 4.5Å; L17-V124 HydrophobicContact CD2-CG1 4.16Å; F58-V124 HydrophobicContact CE2-CG1 3.99Å; F58-V124 HydrophobicContact CZ-CG1 4.1Å; F58-V124 HydrophobicContact CZ-CG2 4.33Å; I60-V124 HydrophobicContact CD1-CG1 4.01Å; Y80-V124 HydrophobicContact CE1-CG2 3.7Å; P89-V124 HydrophobicContact CG-CG2 4.43Å; V124-A127 WeakPolarHBondContact O-CB 3.49Å; V124-A127 PolarHBondContact O-N 2.93Å; V124-V128 WeakPolarHBondContact O-CG2 3.31Å; V124-V128 PolarHBondContact O-N 2.79Å
125	L	87	Confident	86.5	Confident	47 Å²	47	54.3 Å²	54.3	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-43.9	175.7	-177.2	65.7	0	0	0	111.2	L17 M20 F21 A127 V128 D129	L17-L125 HydrophobicContact CD2-CB 4.46Å; M20-L125 HydrophobicContact CE-CD1 3.49Å; M20-L125 VanDerWaalsContact CE-CD1 3.49Å; M20-L125 HydrophobicContact CE-CD2 3.64Å; M20-L125 HydrophobicContact CE-CG 4.22Å; M20-L125 HydrophobicContact SD-CD1 4.03Å; M20-L125 HydrophobicContact SD-CD2 3.78Å; M20-L125 HydrophobicContact SD-CG 4.5Å; F21-L125 HydrophobicContact CZ-CD1 4.43Å; L125-A127 PolarHBondContact O-N 2.89Å; L125-V128 WeakPolarHBondContact O-CB 3.48Å; L125-V128 PolarHBondContact O-N 3.47Å; L125-D129 PolarHBondContact O-N 3Å
126	A	85.9	Confident	86.3	Confident	27 Å²	27	49.7 Å²	49.7	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-35.5	175.4	0	0	0	0	0	112.1	Y113 C123 W130	Y113-A126 HydrophobicContact CE1-CB 4.47Å; C123-A126 PolarHBondContact O-N 2.88Å; A126-W130 VanDerWaalsContact O-CB 3.25Å; A126-W130 WeakPolarHBondContact O-CB 3.4Å; A126-W130 PolarHBondContact O-N 3.47Å
127	A	89.9	Confident	86.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-44.5	172.7	0	0	0	0	0	111.6	L76 I91 L110 L114 C123 V124 L125 W130 V131	L76-A127 HydrophobicContact CD1-CB 4.12Å; I91-A127 HydrophobicContact CD1-CB 3.51Å; L110-A127 HydrophobicContact CD1-CB 4.05Å; L114-A127 HydrophobicContact CD1-CB 4.27Å; L114-A127 HydrophobicContact CD2-CB 3.98Å; C123-A127 WeakPolarHBondContact O-CB 3.44Å; C123-A127 PolarHBondContact O-N 3.24Å; V124-A127 WeakPolarHBondContact O-CB 3.49Å; V124-A127 PolarHBondContact O-N 2.93Å; L125-A127 PolarHBondContact O-N 2.89Å; A127-W130 PolarHBondContact O-N 3.23Å; A127-V131 WeakPolarHBondContact O-CB 3.2Å; A127-V131 WeakPolarHBondContact O-CG2 3.45Å; A127-V131 PolarHBondContact O-N 2.81Å
128	V	87.8	Confident	86.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-47.8	176.3	171.8	0	0	0	0	110.6	F21 I60 L76 V124 L125 V131 K132	F21-V128 HydrophobicContact CZ-CG1 4.1Å; I60-V128 HydrophobicContact CD1-CG2 3.79Å; I60-V128 HydrophobicContact CG2-CG2 4.38Å; L76-V128 HydrophobicContact CD1-CG2 3.93Å; V124-V128 WeakPolarHBondContact O-CG2 3.31Å; V124-V128 PolarHBondContact O-N 2.79Å; L125-V128 WeakPolarHBondContact O-CB 3.48Å; L125-V128 PolarHBondContact O-N 3.47Å; V128-V131 PolarHBondContact O-N 2.86Å; V128-K132 HydrophobicContact CG1-CD 4.06Å; V128-K132 HydrophobicContact CG1-CG 4.44Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 3.4Å
129	D	85.6	Confident	86.2	Confident	66 Å²	66	42.8 Å²	42.8	35%	0.353	22%	0.224	S	C	.	.	H	α-helix	trans	-66.4	-44.5	-178.7	-68.5	-24	0	0	0	111.6	L125 V131 K132 E133	L125-D129 PolarHBondContact O-N 3Å; D129-V131 VanDerWaalsContact C-N 3.3Å; D129-V131 PolarHBondContact O-N 2.87Å; D129-K132 WeakPolarHBondContact O-CB 3.3Å; D129-K132 PolarHBondContact O-N 3.44Å; D129-K132 VanDerWaalsContact O-N 3.17Å; D129-E133 WeakPolarHBondContact O-CG 3.49Å; D129-E133 PolarHBondContact O-N 3.05Å
130	W	92.4	Very high	86.1	Confident	31 Å²	31	43.1 Å²	43.1	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-43.6	174.8	-173.1	92.5	0	0	0	111.5	I106 D109 L110 Y113 A126 A127 E133 N134 F138	I106-W130 HydrophobicContact CG1-CH2 4.36Å; I106-W130 HydrophobicContact CG1-CZ3 3.85Å; D109-W130 HydrophobicContact CB-CH2 3.71Å; D109-W130 HydrophobicContact CB-CZ2 3.98Å; L110-W130 HydrophobicContact CB-CE3 3.98Å; L110-W130 HydrophobicContact CB-CH2 4.3Å; L110-W130 HydrophobicContact CB-CZ3 3.69Å; L110-W130 HydrophobicContact CD1-CB 4.5Å; L110-W130 HydrophobicContact CD1-CD2 4.13Å; L110-W130 HydrophobicContact CD1-CE3 3.65Å; L110-W130 HydrophobicContact CD1-CG 4.5Å; L110-W130 HydrophobicContact CD1-CZ3 4.27Å; L110-W130 HydrophobicContact CG-CE3 4.38Å; Y113-W130 HydrophobicContact CD1-CB 3.98Å; Y113-W130 AromaticContact CD1-CD1 3.62Å; Y113-W130 HydrophobicContact CD1-CD2 4.41Å; Y113-W130 AromaticContact CD1-CG 3.72Å; Y113-W130 HydrophobicContact CD1-CG 3.72Å; Y113-W130 AromaticContact CD2-CD1 3.43Å; Y113-W130 VanDerWaalsContact CD2-CD1 3.43Å; Y113-W130 HydrophobicContact CD2-CG 4.33Å; Y113-W130 AromaticContact CD2-NE1 3.68Å; Y113-W130 HydrophobicContact CE1-CB 3.79Å; Y113-W130 AromaticContact CE1-CD1 3.85Å; Y113-W130 AromaticContact CE1-CG 3.96Å; Y113-W130 HydrophobicContact CE1-CG 3.96Å; Y113-W130 AromaticContact CE2-CD1 3.69Å; Y113-W130 AromaticContact CG-CD1 3.4Å; Y113-W130 HydrophobicContact CG-CD2 4.43Å; Y113-W130 AromaticContact CG-CG 3.92Å; Y113-W130 HydrophobicContact CG-CG 3.92Å; Y113-W130 AromaticContact CG-NE1 3.61Å; Y113-W130 AromaticContact CZ-CD1 3.89Å; A126-W130 VanDerWaalsContact O-CB 3.25Å; A126-W130 WeakPolarHBondContact O-CB 3.4Å; A126-W130 PolarHBondContact O-N 3.47Å; A127-W130 PolarHBondContact O-N 3.23Å; W130-E133 PolarHBondContact O-N 3.42Å; W130-N134 HydrophobicContact CD2-CB 4.45Å; W130-N134 HydrophobicContact CE3-CB 4.35Å; W130-N134 HydrophobicContact CH2-CB 4.15Å; W130-N134 HydrophobicContact CZ2-CB 4.24Å; W130-N134 HydrophobicContact CZ3-CB 4.21Å; W130-N134 PolarHBondContact NE1-ND2 3.22Å; W130-N134 WeakPolarHBondContact O-CB 3.5Å; W130-N134 PolarHBondContact O-N 3.29Å; W130-N134 PolarHBondContact O-ND2 2.95Å; W130-F138 AromaticContact CH2-CE2 3.96Å; W130-F138 HydrophobicContact CH2-CE2 3.96Å; W130-F138 HydrophobicContact CH2-CZ 4.34Å; W130-F138 HydrophobicContact CZ3-CE2 4.46Å
131	V	90.3	Very high	85.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-45	176.9	174.7	0	0	0	0	110.5	F74 L76 V93 I106 L110 A127 V128 D129 E133 N134 V135	F74-V131 HydrophobicContact CD1-CG1 4.29Å; F74-V131 HydrophobicContact CD2-CG1 3.59Å; F74-V131 HydrophobicContact CE1-CG1 4.18Å; F74-V131 HydrophobicContact CE2-CB 4.06Å; F74-V131 HydrophobicContact CE2-CG1 3.49Å; F74-V131 VanDerWaalsContact CE2-CG1 3.49Å; F74-V131 HydrophobicContact CG-CG1 4Å; F74-V131 HydrophobicContact CZ-CB 4.22Å; F74-V131 HydrophobicContact CZ-CG1 3.79Å; L76-V131 HydrophobicContact CD1-CG2 4.41Å; V93-V131 HydrophobicContact CG1-CG1 3.89Å; V93-V131 HydrophobicContact CG2-CG1 4.4Å; V93-V131 HydrophobicContact CG2-CG2 3.61Å; I106-V131 HydrophobicContact CD1-CG1 4.4Å; L110-V131 HydrophobicContact CD1-CG2 4.23Å; L110-V131 HydrophobicContact CD2-CG2 3.97Å; A127-V131 WeakPolarHBondContact O-CB 3.2Å; A127-V131 WeakPolarHBondContact O-CG2 3.45Å; A127-V131 PolarHBondContact O-N 2.81Å; V128-V131 PolarHBondContact O-N 2.86Å; D129-V131 VanDerWaalsContact C-N 3.3Å; D129-V131 PolarHBondContact O-N 2.87Å; V131-E133 VanDerWaalsContact C-N 3.28Å; V131-E133 PolarHBondContact O-N 3.47Å; V131-N134 PolarHBondContact O-N 3.17Å; V131-V135 HydrophobicContact CG1-CB 4.16Å; V131-V135 WeakPolarHBondContact O-CB 3.3Å; V131-V135 WeakPolarHBondContact O-CG1 3.35Å; V131-V135 PolarHBondContact O-N 3.32Å
132	K	87.1	Confident	85.1	Confident	65 Å²	65	40.8 Å²	40.8	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-53.7	-45.3	176	-76.2	170.4	175	171.7	0	112	Q62 F74 V128 D129	Q62-K132 HydrophobicContact CG-CD 4.31Å; Q62-K132 HydrophobicContact CG-CG 4.12Å; F74-K132 HydrophobicContact CE1-CG 3.82Å; F74-K132 HydrophobicContact CZ-CG 3.76Å; V128-K132 HydrophobicContact CG1-CD 4.06Å; V128-K132 HydrophobicContact CG1-CG 4.44Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 3.4Å; D129-K132 WeakPolarHBondContact O-CB 3.3Å; D129-K132 PolarHBondContact O-N 3.44Å; D129-K132 VanDerWaalsContact O-N 3.17Å
133	E	86	Confident	84.3	Confident	149 Å²	149	42.2 Å²	42.2	70%	0.696	21%	0.208	S	C	*	.	H	α-helix	trans	-70.7	-37.6	-178	-70.4	177.9	172.5	0	0	113	D129 W130 V131	D129-E133 WeakPolarHBondContact O-CG 3.49Å; D129-E133 PolarHBondContact O-N 3.05Å; W130-E133 PolarHBondContact O-N 3.42Å; V131-E133 VanDerWaalsContact C-N 3.28Å; V131-E133 PolarHBondContact O-N 3.47Å
134	N	87.1	Confident	82.9	Confident	47 Å²	47	46.7 Å²	46.7	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-100.1	-25.5	-169.4	-67.8	-86.1	0	0	0	113.6	W130 V131 V136 H137 F138	W130-N134 HydrophobicContact CD2-CB 4.45Å; W130-N134 HydrophobicContact CE3-CB 4.35Å; W130-N134 HydrophobicContact CH2-CB 4.15Å; W130-N134 HydrophobicContact CZ2-CB 4.24Å; W130-N134 HydrophobicContact CZ3-CB 4.21Å; W130-N134 PolarHBondContact NE1-ND2 3.22Å; W130-N134 WeakPolarHBondContact O-CB 3.5Å; W130-N134 PolarHBondContact O-N 3.29Å; W130-N134 PolarHBondContact O-ND2 2.95Å; V131-N134 PolarHBondContact O-N 3.17Å; N134-V136 VanDerWaalsContact C-N 3.27Å; N134-V136 PolarHBondContact O-N 3.4Å; N134-H137 WeakPolarHBondContact O-CA 3.42Å; N134-H137 VanDerWaalsContact O-CB 3.31Å; N134-H137 WeakPolarHBondContact O-CB 3.46Å; N134-H137 PolarHBondContact O-N 3.32Å; N134-F138 HydrophobicContact CB-CD2 4.24Å; N134-F138 HydrophobicContact CB-CE2 3.88Å; N134-F138 WeakPolarHBondContact O-CD2 3.27Å; N134-F138 PolarHBondContact O-N 3.27Å; N134-F138 VanDerWaalsContact O-N 3.16Å
135	V	84.9	Confident	80.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-36.6	-174.9	68.3	0	0	0	0	112.3	L64 F74 C95 L98 I106 V131 H137 F138 I139	L64-V135 HydrophobicContact CD1-CG1 3.69Å; L64-V135 HydrophobicContact CD1-CG2 4.38Å; L64-V135 HydrophobicContact CD2-CG1 3.41Å; L64-V135 VanDerWaalsContact CD2-CG1 3.41Å; L64-V135 HydrophobicContact CG-CG1 4.19Å; F74-V135 HydrophobicContact CD1-CG1 4.35Å; C95-V135 HydrophobicContact CB-CG2 4.44Å; L98-V135 HydrophobicContact CD1-CG2 4.33Å; I106-V135 HydrophobicContact CD1-CB 4.05Å; I106-V135 HydrophobicContact CD1-CG2 4.07Å; V131-V135 HydrophobicContact CG1-CB 4.16Å; V131-V135 WeakPolarHBondContact O-CB 3.3Å; V131-V135 WeakPolarHBondContact O-CG1 3.35Å; V131-V135 PolarHBondContact O-N 3.32Å; V135-H137 VanDerWaalsContact C-N 3.26Å; V135-H137 PolarHBondContact O-N 3.46Å; V135-F138 PolarHBondContact O-N 3.24Å; V135-I139 HydrophobicContact CG2-CD1 3.99Å; V135-I139 HydrophobicContact CG2-CG1 4.29Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.36Å; V135-I139 PolarHBondContact O-N 3.23Å
136	V	84.8	Confident	78.7	Confident	29 Å²	29	50.6 Å²	50.6	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-35.2	176.2	-178.6	0	0	0	0	111.2	N134 I139 K140	N134-V136 VanDerWaalsContact C-N 3.27Å; N134-V136 PolarHBondContact O-N 3.4Å; V136-I139 PolarHBondContact O-N 3.47Å; V136-K140 HydrophobicContact CG1-CD 4.25Å; V136-K140 WeakPolarHBondContact O-CB 3.14Å; V136-K140 VanDerWaalsContact O-CG 3.29Å; V136-K140 WeakPolarHBondContact O-CG 3.32Å; V136-K140 PolarHBondContact O-N 3.45Å
137	H	85.6	Confident	76.4	Confident	117 Å²	117	55.3 Å²	55.3	54%	0.542	30%	0.298	S	S	.	.	H	α-helix	trans	-66.9	-46	175	-176.8	71.7	0	0	0	111.1	N134 V135 I139 K140 K141	N134-H137 WeakPolarHBondContact O-CA 3.42Å; N134-H137 VanDerWaalsContact O-CB 3.31Å; N134-H137 WeakPolarHBondContact O-CB 3.46Å; N134-H137 PolarHBondContact O-N 3.32Å; V135-H137 VanDerWaalsContact C-N 3.26Å; V135-H137 PolarHBondContact O-N 3.46Å; H137-I139 VanDerWaalsContact C-N 3.31Å; H137-I139 PolarHBondContact O-N 2.76Å; H137-K140 PolarHBondContact O-N 3.36Å; H137-K141 VanDerWaalsContact O-CB 3.26Å; H137-K141 WeakPolarHBondContact O-CB 3.36Å; H137-K141 PolarHBondContact O-N 3.3Å
138	F	82.9	Confident	73.8	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.035	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-35.3	175.8	-68.5	-73.6	0	0	0	112.3	L98 Q102 E105 I106 D109 W130 N134 V135 S142	L98-F138 HydrophobicContact CD2-CB 3.65Å; Q102-F138 PolarHBondContact OE1-O 3.1Å; E105-F138 HydrophobicContact CB-CD1 4.49Å; E105-F138 HydrophobicContact CB-CE1 4.17Å; E105-F138 HydrophobicContact CG-CD1 4.49Å; E105-F138 HydrophobicContact CG-CE1 3.82Å; I106-F138 HydrophobicContact CB-CD1 4.33Å; I106-F138 HydrophobicContact CB-CD2 3.89Å; I106-F138 HydrophobicContact CB-CE1 4.43Å; I106-F138 HydrophobicContact CB-CE2 3.98Å; I106-F138 HydrophobicContact CB-CG 4.08Å; I106-F138 HydrophobicContact CB-CZ 4.26Å; I106-F138 HydrophobicContact CD1-CD2 3.69Å; I106-F138 HydrophobicContact CD1-CE2 4.2Å; I106-F138 HydrophobicContact CD1-CG 4.34Å; I106-F138 HydrophobicContact CG1-CD2 3.65Å; I106-F138 HydrophobicContact CG1-CE2 3.69Å; I106-F138 HydrophobicContact CG1-CG 4.32Å; I106-F138 HydrophobicContact CG1-CZ 4.39Å; D109-F138 HydrophobicContact CB-CZ 4.38Å; W130-F138 AromaticContact CH2-CE2 3.96Å; W130-F138 HydrophobicContact CH2-CE2 3.96Å; W130-F138 HydrophobicContact CH2-CZ 4.34Å; W130-F138 HydrophobicContact CZ3-CE2 4.46Å; N134-F138 HydrophobicContact CB-CD2 4.24Å; N134-F138 HydrophobicContact CB-CE2 3.88Å; N134-F138 WeakPolarHBondContact O-CD2 3.27Å; N134-F138 PolarHBondContact O-N 3.27Å; N134-F138 VanDerWaalsContact O-N 3.16Å; V135-F138 PolarHBondContact O-N 3.24Å; F138-S142 WeakPolarHBondContact O-CB 3.44Å; F138-S142 PolarHBondContact O-N 3.47Å
139	I	80.1	Confident	71.5	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-68.6	-47.2	174	-60.8	162.3	0	0	0	110.3	L64 M69 T72 A97 L98 V135 V136 H137 K141 S142 L143	L64-I139 HydrophobicContact CD1-CD1 3.77Å; M69-I139 HydrophobicContact CE-CB 4.05Å; M69-I139 HydrophobicContact CE-CG2 3.43Å; M69-I139 VanDerWaalsContact CE-CG2 3.43Å; M69-I139 HydrophobicContact SD-CB 4.18Å; M69-I139 HydrophobicContact SD-CD1 4.26Å; M69-I139 HydrophobicContact SD-CG2 3.56Å; M69-I139 VanDerWaalsContact SD-CG2 3.56Å; T72-I139 HydrophobicContact CG2-CD1 4.26Å; A97-I139 HydrophobicContact CB-CD1 4.05Å; A97-I139 HydrophobicContact CB-CG1 3.96Å; A97-I139 HydrophobicContact CB-CG2 3.87Å; L98-I139 HydrophobicContact CD2-CB 4.37Å; L98-I139 HydrophobicContact CD2-CG1 3.61Å; L98-I139 HydrophobicContact CG-CG1 4.28Å; V135-I139 HydrophobicContact CG2-CD1 3.99Å; V135-I139 HydrophobicContact CG2-CG1 4.29Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.36Å; V135-I139 PolarHBondContact O-N 3.23Å; V136-I139 PolarHBondContact O-N 3.47Å; H137-I139 VanDerWaalsContact C-N 3.31Å; H137-I139 PolarHBondContact O-N 2.76Å; I139-K141 VanDerWaalsContact C-N 3.28Å; I139-K141 PolarHBondContact O-N 3.04Å; I139-S142 CarbonylContact O-C 3.45Å; I139-S142 WeakPolarHBondContact O-CA 3.36Å; I139-S142 VanDerWaalsContact O-CB 3.3Å; I139-S142 WeakPolarHBondContact O-CB 3.42Å; I139-S142 PolarHBondContact O-N 2.77Å; I139-L143 HydrophobicContact CG2-CD1 4.06Å; I139-L143 HydrophobicContact CG2-CG 4.36Å; I139-L143 WeakPolarHBondContact O-CG 3.11Å; I139-L143 PolarHBondContact O-N 2.91Å
140	K	80.9	Confident	68.9	Low	107 Å²	107	68.2 Å²	68.2	47%	0.465	37%	0.374	S	S	.	.	H	α-helix	trans	-59.2	-40.5	175.2	-75.8	174.5	-179.5	176.1	0	111.8	M69 V136 H137 L143 S144	M69-K140 HydrophobicContact CE-CG 4.13Å; V136-K140 HydrophobicContact CG1-CD 4.25Å; V136-K140 WeakPolarHBondContact O-CB 3.14Å; V136-K140 VanDerWaalsContact O-CG 3.29Å; V136-K140 WeakPolarHBondContact O-CG 3.32Å; V136-K140 PolarHBondContact O-N 3.45Å; H137-K140 PolarHBondContact O-N 3.36Å; K140-L143 PolarHBondContact O-N 3.13Å; K140-S144 WeakPolarHBondContact O-CB 3.43Å; K140-S144 PolarHBondContact O-N 2.85Å; K140-S144 PolarHBondContact O-OG 3.1Å
141	K	76.8	Confident	66.5	Low	70 Å²	70	75.4 Å²	75.4	30%	0.304	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-42.3	173.5	-173.4	175.9	176.9	-172.2	0	110.4	E105 H137 I139 L143 S144 T145	E105-K141 IonicContact OE1-NZ 3.24Å; E105-K141 PolarHBondContact OE1-NZ 2.76Å; E105-K141 IonicContact OE2-NZ 3.33Å; E105-K141 PolarHBondContact OE2-NZ 2.98Å; H137-K141 VanDerWaalsContact O-CB 3.26Å; H137-K141 WeakPolarHBondContact O-CB 3.36Å; H137-K141 PolarHBondContact O-N 3.3Å; I139-K141 VanDerWaalsContact C-N 3.28Å; I139-K141 PolarHBondContact O-N 3.04Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.28Å; K141-S144 CarbonylContact O-C 3.52Å; K141-S144 PolarHBondContact O-N 3.4Å; K141-S144 VanDerWaalsContact O-N 3.12Å; K141-T145 WeakPolarHBondContact O-CB 3.34Å; K141-T145 PolarHBondContact O-N 3.48Å; K141-T145 PolarHBondContact O-OG1 2.77Å
142	S	69.6	Low	63.9	Low	14 Å²	14	81.2 Å²	81.2	10%	0.098	44%	0.441	C	S	.	.	H	α-helix	trans	-61.3	-35.5	173.5	-163	0	0	0	0	112.4	S99 F138 I139 T145 A146	S99-S142 PolarHBondContact N-OG 2.94Å; F138-S142 WeakPolarHBondContact O-CB 3.44Å; F138-S142 PolarHBondContact O-N 3.47Å; I139-S142 CarbonylContact O-C 3.45Å; I139-S142 WeakPolarHBondContact O-CA 3.36Å; I139-S142 VanDerWaalsContact O-CB 3.3Å; I139-S142 WeakPolarHBondContact O-CB 3.42Å; I139-S142 PolarHBondContact O-N 2.77Å; S142-T145 WeakPolarHBondContact CA-OG1 3.17Å; S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.36Å; S142-A146 PolarHBondContact O-N 3.09Å
143	L	66.4	Low	61.5	Low	108 Å²	108	83.5 Å²	83.5	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-77.2	-26.4	174.7	-68.4	169	0	0	0	112.5	M69 I139 K140 K141	M69-L143 HydrophobicContact CE-CD1 3.55Å; I139-L143 HydrophobicContact CG2-CD1 4.06Å; I139-L143 HydrophobicContact CG2-CG 4.36Å; I139-L143 WeakPolarHBondContact O-CG 3.11Å; I139-L143 PolarHBondContact O-N 2.91Å; K140-L143 PolarHBondContact O-N 3.13Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.28Å
144	S	60.1	Low	59.5	Low	93 Å²	93	81.3 Å²	81.3	65%	0.65	47%	0.473	S	S	*	.	H	α-helix	trans	-86.4	-21.3	174.3	-53.8	0	0	0	0	113	K140 K141 A146	K140-S144 WeakPolarHBondContact O-CB 3.43Å; K140-S144 PolarHBondContact O-N 2.85Å; K140-S144 PolarHBondContact O-OG 3.1Å; K141-S144 CarbonylContact O-C 3.52Å; K141-S144 PolarHBondContact O-N 3.4Å; K141-S144 VanDerWaalsContact O-N 3.12Å; S144-A146 CarbonylContact C-O 3.47Å
145	T	46.8	Very low	57.4	Low	85 Å²	85	83.7 Å²	83.7	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-101.7	-13.5	174.3	44.1	0	0	0	0	112.9	K141 S142	K141-T145 WeakPolarHBondContact O-CB 3.34Å; K141-T145 PolarHBondContact O-N 3.48Å; K141-T145 PolarHBondContact O-OG1 2.77Å; S142-T145 WeakPolarHBondContact CA-OG1 3.17Å
146	A	41.4	Very low	55.2	Low	45 Å²	45	90.1 Å²	90.1	37%	0.372	52%	0.523	S	S	.	.	S	Bend	trans	-53.9	132.6	145.8	0	0	0	0	0	105.7	S142 S144 A148	S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.36Å; S142-A146 PolarHBondContact O-N 3.09Å; S144-A146 CarbonylContact C-O 3.47Å; A146-A148 VanDerWaalsContact C-N 3.29Å; A146-A148 PolarHBondContact O-N 2.8Å
147	P	37.7	Very low	53.2	Low	126 Å²	126	92.4 Å²	92.4	82%	0.818	54%	0.539	S	S	*	.			trans	-59.5	100.2	177.7	24.3	-30.7	0	0	0	107.5
148	A	35.9	Very low	51.7	Low	62 Å²	62	92.6 Å²	92.6	51%	0.512	55%	0.55	S	S	.	*			trans	-55.1	138.8	155.2	0	0	0	0	0	105.6	A146 K150	A146-A148 VanDerWaalsContact C-N 3.29Å; A146-A148 PolarHBondContact O-N 2.8Å; A148-K150 PolarHBondContact O-N 3.11Å
149	P	38.5	Very low	50.6	Low	118 Å²	118	99.9 Å²	99.9	77%	0.766	58%	0.578	S	S	*	*			trans	-51	116.3	170.6	22.7	-31	0	0	0	105.8	L151	P149-L151 PolarHBondContact O-N 2.81Å
150	K	32.5	Very low	50.4	Low	156 Å²	156	105.6 Å²	105.6	68%	0.678	60%	0.604	S	S	*	*			trans	-48.4	111.5	176.8	-74.1	169.6	159.7	-158.6	0	107	A148 E152	A148-K150 PolarHBondContact O-N 3.11Å; K150-E152 HydrophobicContact CB-CB 4.13Å; K150-E152 HydrophobicContact CB-CG 4.04Å; K150-E152 HydrophobicContact CD-CG 4.15Å; K150-E152 WeakPolarHBondContact CD-OE1 3.48Å; K150-E152 WeakPolarHBondContact CE-OE1 3.11Å; K150-E152 HydrophobicContact CG-CG 4.45Å; K150-E152 IonicContact NZ-OE1 3.43Å; K150-E152 PolarHBondContact NZ-OE1 3.43Å; K150-E152 IonicContact NZ-OE2 2.68Å; K150-E152 PolarHBondContact O-N 2.83Å
151	L	40.5	Very low	50.5	Low	182 Å²	182	101.9 Å²	101.9	95%	0.953	59%	0.59	S	S	*	*			trans	-69.7	62.2	142.8	-97.8	132.4	0	0	0	106	P149	P149-L151 PolarHBondContact O-N 2.81Å
152	E	36.3	Very low	51	Low	122 Å²	122	98.6 Å²	98.6	57%	0.57	58%	0.576	S	S	*	*			trans	-66.2	129.5	147.9	-90.5	173.2	-171.8	0	0	104.4	K150 A154	K150-E152 HydrophobicContact CB-CB 4.13Å; K150-E152 HydrophobicContact CB-CG 4.04Å; K150-E152 HydrophobicContact CD-CG 4.15Å; K150-E152 WeakPolarHBondContact CD-OE1 3.48Å; K150-E152 WeakPolarHBondContact CE-OE1 3.11Å; K150-E152 HydrophobicContact CG-CG 4.45Å; K150-E152 IonicContact NZ-OE1 3.43Å; K150-E152 PolarHBondContact NZ-OE1 3.43Å; K150-E152 IonicContact NZ-OE2 2.68Å; K150-E152 PolarHBondContact O-N 2.83Å; E152-A154 PolarHBondContact O-N 2.99Å
153	S	36.2	Very low	51.9	Low	114 Å²	114	97.9 Å²	97.9	80%	0.797	57%	0.572	S	S	*	*	S	Bend	trans	-15.9	112.4	153	-64	0	0	0	0	111.4	S155	S153-S155 PolarHBondContact O-N 3.41Å
154	A	43.9	Very low	53.1	Low	102 Å²	102	92.9 Å²	92.9	84%	0.843	55%	0.545	S	S	*	.	S	Bend	trans	9.4	82.6	156.2	0	0	0	0	0	115.5	E152	E152-A154 PolarHBondContact O-N 2.99Å
155	S	43	Very low	54.4	Low	98 Å²	98	88.5 Å²	88.5	69%	0.685	51%	0.514	S	S	*	.			trans	163	104.9	141.5	54.8	0	0	0	0	110.3	S153	S153-S155 PolarHBondContact O-N 3.41Å
156	Q	38.7	Very low	56.5	Low	134 Å²	134	84.4 Å²	84.4	63%	0.626	49%	0.489	S	S	*	.			trans	146.9	132.5	141.8	-66.7	-108.6	-32	0	0	110.3
157	P	44.3	Very low	58.8	Low	78 Å²	78	82.3 Å²	82.3	51%	0.506	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-68.1	156.1	-179.2	27.6	-33.5	0	0	0	112.7	R159	P157-R159 PolarHBondContact O-N 3.22Å
158	P	52.9	Low	61.3	Low	120 Å²	120	78.2 Å²	78.2	78%	0.779	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-57	131.2	179.1	22.9	-32.1	0	0	0	110.8	E160	P158-E160 PolarHBondContact O-N 2.92Å
159	R	61	Low	63.8	Low	161 Å²	161	75.3 Å²	75.3	61%	0.608	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-73	116.9	175.2	-67.7	-177.7	-175.4	171.7	-1	108.5	P157 V161	P157-R159 PolarHBondContact O-N 3.22Å; R159-V161 PolarHBondContact O-N 3.38Å
160	E	75.1	Confident	66	Low	122 Å²	122	72.1 Å²	72.1	57%	0.57	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-69.6	127.9	171.1	-72.7	179	173.5	0	0	109.1	P158 L236	P158-E160 PolarHBondContact O-N 2.92Å; E160-L236 HydrophobicContact CB-CD1 3.99Å; E160-L236 WeakPolarHBondContact O-CB 3.23Å; E160-L236 PolarHBondContact O-N 2.73Å
161	V	83.4	Confident	68.6	Low	29 Å²	29	67.1 Å²	67.1	18%	0.176	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.3	177.2	-176.4	0	0	0	0	108.3	R159 Q208 D233 I234 T235	R159-V161 PolarHBondContact O-N 3.38Å; V161-Q208 HydrophobicContact CB-CB 4.03Å; V161-Q208 HydrophobicContact CG1-CB 4.15Å; V161-Q208 HydrophobicContact CG1-CG 4.47Å; V161-Q208 WeakPolarHBondContact O-CB 2.96Å; V161-Q208 PolarHBondContact O-N 2.76Å; V161-D233 HydrophobicContact CG1-CB 4.13Å; V161-I234 WeakPolarHBondContact CA-O 3.36Å; V161-T235 HydrophobicContact CG2-CG2 4.14Å
162	F	86.9	Confident	70.9	Confident	1 Å²	1	58.6 Å²	58.6	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.8	169.4	-174.5	-88.4	0	0	0	108.7	E205 G206 D233 I234 L249 L252 H253	F162-E205 HydrophobicContact CE1-CB 3.89Å; F162-E205 HydrophobicContact CE1-CG 4.42Å; F162-E205 HydrophobicContact CZ-CB 3.68Å; F162-E205 HydrophobicContact CZ-CG 3.82Å; F162-G206 WeakPolarHBondContact CA-O 3.19Å; F162-D233 WeakPolarHBondContact O-CA 3.43Å; F162-I234 HydrophobicContact CB-CB 4.4Å; F162-I234 HydrophobicContact CD1-CD1 4.28Å; F162-I234 PolarHBondContact N-O 3.37Å; F162-I234 PolarHBondContact O-N 2.85Å; F162-L249 HydrophobicContact CB-CD2 4.26Å; F162-L249 HydrophobicContact CD2-CD2 3.9Å; F162-L252 HydrophobicContact CB-CD1 3.59Å; F162-L252 HydrophobicContact CD1-CB 3.93Å; F162-L252 HydrophobicContact CD1-CD1 4.22Å; F162-L252 HydrophobicContact CD2-CB 4.11Å; F162-L252 HydrophobicContact CD2-CD1 4.32Å; F162-L252 HydrophobicContact CE1-CB 3.97Å; F162-L252 HydrophobicContact CE2-CB 4.14Å; F162-L252 HydrophobicContact CG-CB 3.99Å; F162-L252 HydrophobicContact CG-CD1 3.81Å; F162-L252 HydrophobicContact CZ-CB 4.07Å; F162-H253 AromaticContact CE2-CD2 3.67Å; F162-H253 AromaticContact CE2-CE1 3.88Å; F162-H253 AromaticContact CE2-NE2 3.54Å
163	S	88.4	Confident	73.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.1	179.9	-164	0	0	0	0	110.5	E205 G206 C211 E232 D233	S163-E205 VanDerWaalsContact O-CA 3.23Å; S163-E205 WeakPolarHBondContact O-CA 3.44Å; S163-G206 PolarHBondContact N-O 2.95Å; S163-G206 PolarHBondContact O-N 3.06Å; S163-G206 VanDerWaalsContact O-N 3.07Å; S163-C211 PolarHBondContact O-SG 3.21Å; S163-C211 VanDerWaalsContact O-SG 3.34Å; S163-E232 CarbonylContact C-O 3.49Å; S163-E232 VanDerWaalsContact CA-O 3.23Å; S163-E232 WeakPolarHBondContact CA-O 3.4Å; S163-E232 PolarHBondContact OG-O 3.41Å; S163-D233 WeakPolarHBondContact CB-OD1 3.39Å; S163-D233 PolarHBondContact OG-OD1 2.99Å
164	R	91.3	Very high	75.5	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.011	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.1	168.4	-177.3	179.8	-52.3	121.1	10.2	109.5	W166 V204 E205 R231 E232 L252 K254	R164-W166 VanDerWaalsContact CD-CE2 3.4Å; R164-W166 HydrophobicContact CG-CZ2 4.23Å; R164-V204 CarbonylContact C-O 3.56Å; R164-V204 WeakPolarHBondContact CA-O 3.38Å; R164-E205 HydrophobicContact CB-CB 3.9Å; R164-E205 HydrophobicContact CG-CB 3.92Å; R164-E205 IonicContact CZ-OE2 2.8Å; R164-E205 IonicContact NE-OE2 3.03Å; R164-E205 PolarHBondContact NE-OE2 2.87Å; R164-E205 IonicContact NH2-OE2 3.31Å; R164-E205 PolarHBondContact NH2-OE2 2.8Å; R164-R231 WeakPolarHBondContact O-CA 3.19Å; R164-E232 HydrophobicContact CB-CB 4.21Å; R164-E232 WeakPolarHBondContact CD-OE1 3.33Å; R164-E232 IonicContact CZ-OE1 3.47Å; R164-E232 IonicContact CZ-OE2 2.89Å; R164-E232 PolarHBondContact N-O 3.33Å; R164-E232 IonicContact NH1-OE1 3.87Å; R164-E232 PolarHBondContact NH1-OE1 3.31Å; R164-E232 IonicContact NH1-OE2 2.93Å; R164-E232 PolarHBondContact NH1-OE2 3.45Å; R164-E232 PolarHBondContact O-N 2.65Å; R164-L252 PolarHBondContact NH2-O 3.31Å; R164-L252 VanDerWaalsContact NH2-O 3.08Å; R164-K254 VanDerWaalsContact NH1-CE 3.27Å
165	L	88.7	Confident	77.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.4	178.7	-55.7	-176.6	0	0	0	110.7	I167 C203 V204 C211 W215 I228 R231	L165-I167 HydrophobicContact CB-CD1 4.46Å; L165-I167 HydrophobicContact CB-CG1 4.37Å; L165-C203 VanDerWaalsContact O-CA 3.3Å; L165-C203 WeakPolarHBondContact O-CA 3.44Å; L165-V204 HydrophobicContact CB-CG2 3.89Å; L165-V204 HydrophobicContact CD1-CG2 4.25Å; L165-V204 HydrophobicContact CG-CG2 4.31Å; L165-V204 PolarHBondContact N-O 2.84Å; L165-V204 PolarHBondContact O-N 2.82Å; L165-V204 VanDerWaalsContact O-N 3.09Å; L165-C211 HydrophobicContact CD1-CB 3.89Å; L165-C211 WeakPolarHBondContact CD1-O 3.31Å; L165-C211 HydrophobicContact CG-CB 4.08Å; L165-W215 HydrophobicContact CD1-CB 4.02Å; L165-I228 HydrophobicContact CD1-CD1 4.35Å; L165-I228 HydrophobicContact CD2-CD1 4.34Å; L165-R231 HydrophobicContact CD2-CB 4.18Å; L165-R231 HydrophobicContact CD2-CG 3.8Å
166	W	89.6	Confident	79.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	102.4	176.4	-62.5	100.2	0	0	0	109.4	R164 F193 C203 R229 H230 E232 F255 L282 C287 V290 Y294	R164-W166 VanDerWaalsContact CD-CE2 3.4Å; R164-W166 HydrophobicContact CG-CZ2 4.23Å; W166-F193 AromaticContact CZ3-CE1 3.89Å; W166-F193 HydrophobicContact CZ3-CE1 3.89Å; W166-F193 HydrophobicContact CZ3-CZ 4.2Å; W166-C203 HydrophobicContact CD2-CB 4.45Å; W166-C203 HydrophobicContact CE3-CB 3.7Å; W166-C203 VanDerWaalsContact CE3-SG 3.57Å; W166-C203 HydrophobicContact CZ3-CB 3.75Å; W166-C203 VanDerWaalsContact CZ3-SG 3.55Å; W166-R229 PolarHBondContact O-N 2.98Å; W166-H230 HydrophobicContact CB-CB 3.88Å; W166-H230 WeakPolarHBondContact CB-O 3.43Å; W166-H230 AromaticContact CD1-CD2 3.59Å; W166-H230 HydrophobicContact CG-CB 4.11Å; W166-H230 PolarHBondContact N-O 3.16Å; W166-H230 AromaticContact NE1-CD2 3.91Å; W166-H230 PolarHBondContact O-N 3.35Å; W166-E232 PolarHBondContact NE1-OE1 2.98Å; W166-F255 HydrophobicContact CH2-CE2 4.21Å; W166-F255 HydrophobicContact CH2-CZ 4.04Å; W166-L282 HydrophobicContact CH2-CD2 3.9Å; W166-L282 HydrophobicContact CZ3-CD2 3.72Å; W166-C287 HydrophobicContact CH2-CB 3.6Å; W166-C287 HydrophobicContact CZ2-CB 3.89Å; W166-V290 HydrophobicContact CB-CG1 4.17Å; W166-V290 HydrophobicContact CD2-CB 4.33Å; W166-V290 HydrophobicContact CD2-CG1 3.53Å; W166-V290 HydrophobicContact CD2-CG2 4.14Å; W166-V290 HydrophobicContact CE3-CB 4.44Å; W166-V290 HydrophobicContact CE3-CG1 3.67Å; W166-V290 HydrophobicContact CG-CG1 3.78Å; W166-V290 HydrophobicContact CH2-CB 4.45Å; W166-V290 HydrophobicContact CH2-CG2 4.24Å; W166-V290 HydrophobicContact CZ2-CB 4.34Å; W166-V290 HydrophobicContact CZ2-CG1 4.42Å; W166-V290 HydrophobicContact CZ2-CG2 3.69Å; W166-V290 HydrophobicContact CZ3-CB 4.49Å; W166-V290 HydrophobicContact CZ3-CG1 4.15Å; W166-Y294 WeakPolarHBondContact CA-OH 3.36Å; W166-Y294 HydrophobicContact CB-CE2 4.37Å; W166-Y294 VanDerWaalsContact CB-OH 3.26Å; W166-Y294 WeakPolarHBondContact CB-OH 3.31Å; W166-Y294 AromaticContact CE3-CE2 3.9Å; W166-Y294 HydrophobicContact CE3-CE2 3.9Å
167	I	91	Very high	81.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.6	-170.3	-59.4	161.3	0	0	0	110	L165 V202 F214 W215 I226 M227 I228 Y294	L165-I167 HydrophobicContact CB-CD1 4.46Å; L165-I167 HydrophobicContact CB-CG1 4.37Å; I167-V202 WeakPolarHBondContact CA-O 3.22Å; I167-V202 HydrophobicContact CB-CB 4.14Å; I167-V202 WeakPolarHBondContact CB-O 3.47Å; I167-V202 HydrophobicContact CD1-CB 4.49Å; I167-V202 HydrophobicContact CD1-CG1 4.48Å; I167-V202 PolarHBondContact N-O 3.22Å; I167-V202 PolarHBondContact O-N 3.26Å; I167-F214 HydrophobicContact CD1-CD1 4.47Å; I167-F214 HydrophobicContact CD1-CE1 4.11Å; I167-W215 HydrophobicContact CD1-CE3 3.78Å; I167-W215 HydrophobicContact CD1-CZ3 4.18Å; I167-W215 HydrophobicContact CG1-CE3 4.13Å; I167-W215 HydrophobicContact CG1-CZ3 4.18Å; I167-W215 HydrophobicContact CG2-CE3 4.45Å; I167-W215 HydrophobicContact CG2-CZ3 3.74Å; I167-I226 HydrophobicContact CG2-CD1 3.89Å; I167-I226 HydrophobicContact CG2-CG1 3.73Å; I167-M227 WeakPolarHBondContact CA-O 3.42Å; I167-I228 HydrophobicContact CG1-CG1 4.18Å; I167-Y294 PolarHBondContact N-OH 3.07Å; I167-Y294 VanDerWaalsContact N-OH 3.1Å; I167-Y294 PolarHBondContact O-OH 2.95Å
168	Y	89.9	Confident	84.2	Confident	40 Å²	40	51.2 Å²	51.2	16%	0.157	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.9	173	178.7	-86.2	0	0	0	110.5	P199 I201 I226 M227 R229 Y294	Y168-P199 HydrophobicContact CD2-CB 4.17Å; Y168-P199 HydrophobicContact CE2-CB 3.37Å; Y168-P199 HydrophobicContact CE2-CG 3.86Å; Y168-I201 HydrophobicContact CD2-CD1 3.72Å; Y168-I201 HydrophobicContact CE2-CD1 4.4Å; Y168-I226 CarbonylContact O-C 3.55Å; Y168-I226 VanDerWaalsContact O-CA 3.31Å; Y168-I226 WeakPolarHBondContact O-CA 3.41Å; Y168-M227 HydrophobicContact CD1-CE 3.41Å; Y168-M227 VanDerWaalsContact CD1-CE 3.41Å; Y168-M227 HydrophobicContact CE1-CE 3.96Å; Y168-M227 HydrophobicContact CG-CE 4.14Å; Y168-M227 PolarHBondContact N-O 3.02Å; Y168-M227 PolarHBondContact O-N 3.49Å; Y168-R229 VanDerWaalsContact CB-CG 3.42Å; Y168-R229 HydrophobicContact CG-CG 4.32Å; Y168-Y294 HydrophobicContact CD2-CD1 4Å; Y168-Y294 HydrophobicContact CG-CD1 4.5Å
169	S	88.3	Confident	86	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.2	169.7	74.1	0	0	0	0	111.6	H171 I172 P199 G200 K225	S169-H171 PolarHBondContact O-N 2.99Å; S169-I172 WeakPolarHBondContact OG-CG1 3.48Å; S169-P199 WeakPolarHBondContact O-CB 3.41Å; S169-G200 PolarHBondContact N-O 2.95Å; S169-G200 PolarHBondContact O-N 3.35Å; S169-G200 VanDerWaalsContact O-N 3.07Å; S169-G200 VanDerWaalsContact OG-CA 3.32Å; S169-G200 WeakPolarHBondContact OG-CA 3.46Å; S169-G200 PolarHBondContact OG-O 2.93Å; S169-K225 CarbonylContact C-O 3.59Å; S169-K225 VanDerWaalsContact CA-O 3.25Å; S169-K225 WeakPolarHBondContact CA-O 3.26Å
170	H	83.6	Confident	87.4	Confident	51 Å²	51	45.3 Å²	45.3	24%	0.236	21%	0.213	C	C	.	.	S	Bend	trans	-60.9	-36.4	177	-167.4	68.4	0	0	0	112.3	K224 K225	H170-K224 HydrophobicContact CB-CB 4.26Å; H170-K225 HydrophobicContact CB-CB 4.15Å; H170-K225 PolarHBondContact N-O 3.47Å
171	H	87.2	Confident	88.3	Confident	51 Å²	51	39.5 Å²	39.5	24%	0.236	19%	0.186	C	C	.	.			trans	-170.3	156.6	169.1	54	-91.2	0	0	0	111.2	S169 Y173 G197 K198	S169-H171 PolarHBondContact O-N 2.99Å; H171-Y173 HydrophobicContact CB-CD1 4.35Å; H171-Y173 HydrophobicContact CB-CD2 3.95Å; H171-Y173 HydrophobicContact CB-CE1 4.13Å; H171-Y173 HydrophobicContact CB-CE2 3.7Å; H171-Y173 HydrophobicContact CB-CG 4.28Å; H171-Y173 AromaticContact CD2-CD2 3.3Å; H171-Y173 WeakPolarHBondContact CD2-CD2 3.32Å; H171-Y173 AromaticContact CD2-CE2 3.76Å; H171-Y173 AromaticContact CD2-CG 3.88Å; H171-Y173 AromaticContact CG-CD2 3.67Å; H171-Y173 AromaticContact CG-CE2 3.63Å; H171-G197 CarbonylContact C-O 3.57Å; H171-G197 WeakPolarHBondContact CA-O 3.23Å; H171-G197 WeakPolarHBondContact CB-O 3.21Å; H171-K198 HydrophobicContact CB-CB 4.16Å
172	I	89.6	Confident	88.8	Confident	3 Å²	3	41 Å²	41	2%	0.015	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-123.9	86.1	169.4	-55.1	156.3	0	0	0	108.4	S169 K177 R178 I181 P196 G197 V202 W223	S169-I172 WeakPolarHBondContact OG-CG1 3.48Å; I172-K177 HydrophobicContact CG2-CB 4.49Å; I172-R178 HydrophobicContact CG2-CG 3.59Å; I172-I181 HydrophobicContact CD1-CD1 4.37Å; I172-I181 HydrophobicContact CG2-CD1 4.33Å; I172-P196 WeakPolarHBondContact O-CB 3.49Å; I172-G197 PolarHBondContact N-O 2.86Å; I172-G197 PolarHBondContact O-N 3.08Å; I172-V202 HydrophobicContact CD1-CG2 3.69Å; I172-W223 HydrophobicContact CG1-CH2 3.85Å; I172-W223 HydrophobicContact CG1-CZ3 3.62Å
173	Y	83.4	Confident	89.1	Confident	91 Å²	91	45.4 Å²	45.4	36%	0.357	21%	0.213	S	C	.	.			trans	-103.6	-29.1	176.3	-59.1	-38.9	0	0	0	113.2	H171 K175 K198 N271	H171-Y173 HydrophobicContact CB-CD1 4.35Å; H171-Y173 HydrophobicContact CB-CD2 3.95Å; H171-Y173 HydrophobicContact CB-CE1 4.13Å; H171-Y173 HydrophobicContact CB-CE2 3.7Å; H171-Y173 HydrophobicContact CB-CG 4.28Å; H171-Y173 AromaticContact CD2-CD2 3.3Å; H171-Y173 WeakPolarHBondContact CD2-CD2 3.32Å; H171-Y173 AromaticContact CD2-CE2 3.76Å; H171-Y173 AromaticContact CD2-CG 3.88Å; H171-Y173 AromaticContact CG-CD2 3.67Å; H171-Y173 AromaticContact CG-CE2 3.63Å; Y173-K175 PolarHBondContact O-N 2.9Å; Y173-K198 HydrophobicContact CE1-CB 4.36Å; Y173-K198 WeakPolarHBondContact OH-CB 3.45Å; Y173-N271 HydrophobicContact CE1-CB 3.95Å
174	N	85.4	Confident	89.4	Confident	71 Å²	71	47.4 Å²	47.4	38%	0.38	22%	0.221	S	C	.	.			trans	-69.2	122.3	-174.8	178.7	-62.5	0	0	0	110	S176 K177 R178	N174-S176 VanDerWaalsContact C-N 3.29Å; N174-S176 PolarHBondContact O-N 2.92Å; N174-S176 WeakPolarHBondContact OD1-CA 3.28Å; N174-S176 WeakPolarHBondContact OD1-CB 3.47Å; N174-S176 PolarHBondContact OD1-N 2.95Å; N174-K177 HydrophobicContact CB-CB 4.34Å; N174-K177 HydrophobicContact CB-CD 3.95Å; N174-K177 HydrophobicContact CB-CG 3.89Å; N174-K177 PolarHBondContact O-N 3.31Å; N174-K177 VanDerWaalsContact O-N 3.16Å; N174-K177 PolarHBondContact OD1-N 3.16Å; N174-R178 PolarHBondContact O-N 3.44Å; N174-R178 VanDerWaalsContact O-N 3.13Å
175	K	86.7	Confident	89.5	Confident	172 Å²	172	47.3 Å²	47.3	75%	0.748	22%	0.22	S	C	*	.	H	α-helix	trans	-60.5	-36.1	-178.5	-67.6	-175.3	178.9	-177.8	0	112.9	Y173 R178 K179	Y173-K175 PolarHBondContact O-N 2.9Å; K175-R178 PolarHBondContact O-N 2.76Å; K175-K179 WeakPolarHBondContact O-CB 3.41Å; K175-K179 PolarHBondContact O-N 3.16Å
176	S	85.8	Confident	89.7	Confident	75 Å²	75	55.9 Å²	55.9	52%	0.524	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-40.1	176.5	-46.4	0	0	0	0	111.5	N174 K179 N180	N174-S176 VanDerWaalsContact C-N 3.29Å; N174-S176 PolarHBondContact O-N 2.92Å; N174-S176 WeakPolarHBondContact OD1-CA 3.28Å; N174-S176 WeakPolarHBondContact OD1-CB 3.47Å; N174-S176 PolarHBondContact OD1-N 2.95Å; S176-K179 PolarHBondContact O-N 3.49Å; S176-N180 WeakPolarHBondContact O-CB 3.31Å; S176-N180 PolarHBondContact O-N 3.27Å; S176-N180 PolarHBondContact O-OD1 3.49Å
177	K	88.1	Confident	89.8	Confident	15 Å²	15	61.5 Å²	61.5	7%	0.065	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-44.8	174.2	-60.8	-177.9	-163.4	170.6	0	111.9	I172 N174 K179 N180 I181 L221 T222 W223	I172-K177 HydrophobicContact CG2-CB 4.49Å; N174-K177 HydrophobicContact CB-CB 4.34Å; N174-K177 HydrophobicContact CB-CD 3.95Å; N174-K177 HydrophobicContact CB-CG 3.89Å; N174-K177 PolarHBondContact O-N 3.31Å; N174-K177 VanDerWaalsContact O-N 3.16Å; N174-K177 PolarHBondContact OD1-N 3.16Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 3.43Å; K177-N180 PolarHBondContact O-N 2.88Å; K177-I181 WeakPolarHBondContact O-CB 3.45Å; K177-I181 WeakPolarHBondContact O-CD1 3.47Å; K177-I181 VanDerWaalsContact O-CG1 3.26Å; K177-I181 WeakPolarHBondContact O-CG1 3.23Å; K177-I181 PolarHBondContact O-N 2.87Å; K177-L221 HydrophobicContact CB-CD1 4.39Å; K177-L221 HydrophobicContact CG-CD1 4.17Å; K177-T222 VanDerWaalsContact CE-O 3.26Å; K177-T222 WeakPolarHBondContact CE-O 3.46Å; K177-T222 PolarHBondContact NZ-O 3.11Å; K177-W223 HydrophobicContact CD-CE3 4.41Å; K177-W223 HydrophobicContact CD-CH2 3.88Å; K177-W223 HydrophobicContact CD-CZ2 4.09Å; K177-W223 HydrophobicContact CD-CZ3 4.05Å
178	R	92.8	Very high	89.8	Confident	68 Å²	68	63.3 Å²	63.3	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-57.6	-47.8	176.9	-68.5	172	62.3	177.5	0.3	111	I172 N174 K175 I181 L182 P196 E260	I172-R178 HydrophobicContact CG2-CG 3.59Å; N174-R178 PolarHBondContact O-N 3.44Å; N174-R178 VanDerWaalsContact O-N 3.13Å; K175-R178 PolarHBondContact O-N 2.76Å; R178-I181 PolarHBondContact O-N 3.3Å; R178-L182 PolarHBondContact O-N 3.44Å; R178-L182 VanDerWaalsContact O-N 3.14Å; R178-P196 HydrophobicContact CG-CB 4.37Å; R178-E260 WeakPolarHBondContact CB-OE2 3.46Å; R178-E260 WeakPolarHBondContact CG-OE2 3.3Å; R178-E260 IonicContact CZ-OE1 3.42Å; R178-E260 IonicContact CZ-OE2 3.41Å; R178-E260 IonicContact NE-OE1 3.16Å; R178-E260 PolarHBondContact NE-OE1 3.46Å; R178-E260 IonicContact NE-OE2 2.65Å; R178-E260 PolarHBondContact NE-OE2 3.07Å; R178-E260 VanDerWaalsContact NH2-CD 3.32Å; R178-E260 IonicContact NH2-OE1 3.96Å; R178-E260 PolarHBondContact NH2-OE1 3.2Å; R178-E260 IonicContact NH2-OE2 3.48Å; R178-E260 PolarHBondContact NH2-OE2 3.27Å
179	K	90.1	Very high	89.8	Confident	119 Å²	119	64 Å²	64	52%	0.517	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-49.8	176.3	-175.9	179.5	171.6	-176.1	0	112	K175 S176 K177 I181 L182 E183	K175-K179 WeakPolarHBondContact O-CB 3.41Å; K175-K179 PolarHBondContact O-N 3.16Å; S176-K179 PolarHBondContact O-N 3.49Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 3.43Å; K179-I181 VanDerWaalsContact C-N 3.32Å; K179-I181 PolarHBondContact O-N 2.92Å; K179-L182 PolarHBondContact O-N 2.91Å; K179-E183 WeakPolarHBondContact CE-OE1 3.12Å; K179-E183 WeakPolarHBondContact CE-OE2 3.37Å; K179-E183 HydrophobicContact CG-CG 4.29Å; K179-E183 IonicContact NZ-OE1 2.71Å; K179-E183 WeakPolarHBondContact O-CB 3.31Å; K179-E183 WeakPolarHBondContact O-CG 3.33Å; K179-E183 PolarHBondContact O-N 3.46Å
180	N	89.6	Confident	90	Very high	39 Å²	39	64.3 Å²	64.3	21%	0.209	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-41.8	179.3	-71.7	4.4	0	0	0	112	S176 K177 E183 W184 L221	S176-N180 WeakPolarHBondContact O-CB 3.31Å; S176-N180 PolarHBondContact O-N 3.27Å; S176-N180 PolarHBondContact O-OD1 3.49Å; K177-N180 PolarHBondContact O-N 2.88Å; N180-E183 PolarHBondContact O-N 3.44Å; N180-W184 HydrophobicContact CB-CD2 4.07Å; N180-W184 HydrophobicContact CB-CE3 3.95Å; N180-W184 HydrophobicContact CB-CH2 3.74Å; N180-W184 HydrophobicContact CB-CZ2 3.8Å; N180-W184 HydrophobicContact CB-CZ3 3.79Å; N180-W184 VanDerWaalsContact O-CB 3.31Å; N180-W184 WeakPolarHBondContact O-CB 3.41Å; N180-W184 PolarHBondContact O-N 2.89Å; N180-L221 HydrophobicContact CB-CD1 4.43Å
181	I	94.1	Very high	90.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-49.1	176.4	-72.5	161.6	0	0	0	110.5	I172 K177 R178 K179 S185 V202 F214 V218 W223 F258	I172-I181 HydrophobicContact CD1-CD1 4.37Å; I172-I181 HydrophobicContact CG2-CD1 4.33Å; K177-I181 WeakPolarHBondContact O-CB 3.45Å; K177-I181 WeakPolarHBondContact O-CD1 3.47Å; K177-I181 VanDerWaalsContact O-CG1 3.26Å; K177-I181 WeakPolarHBondContact O-CG1 3.23Å; K177-I181 PolarHBondContact O-N 2.87Å; R178-I181 PolarHBondContact O-N 3.3Å; K179-I181 VanDerWaalsContact C-N 3.32Å; K179-I181 PolarHBondContact O-N 2.92Å; I181-S185 WeakPolarHBondContact O-CB 3.36Å; I181-S185 PolarHBondContact O-N 2.9Å; I181-S185 VanDerWaalsContact O-N 3.08Å; I181-S185 PolarHBondContact O-OG 2.92Å; I181-V202 HydrophobicContact CD1-CG2 4.11Å; I181-V202 HydrophobicContact CG2-CG1 4.3Å; I181-F214 HydrophobicContact CG2-CZ 4.06Å; I181-V218 HydrophobicContact CG1-CG2 4.28Å; I181-W223 HydrophobicContact CD1-CH2 4.32Å; I181-F258 HydrophobicContact CG2-CE1 3.73Å; I181-F258 HydrophobicContact CG2-CZ 3.53Å
182	L	94.4	Very high	90.9	Very high	60 Å²	60	59.8 Å²	59.8	31%	0.314	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-46.3	178.3	-71.4	165.3	0	0	0	112.5	R178 K179 K186 F258 E260	R178-L182 PolarHBondContact O-N 3.44Å; R178-L182 VanDerWaalsContact O-N 3.14Å; K179-L182 PolarHBondContact O-N 2.91Å; L182-K186 PolarHBondContact O-N 2.81Å; L182-K186 VanDerWaalsContact O-N 3.16Å; L182-F258 HydrophobicContact CD2-CD1 3.82Å; L182-F258 HydrophobicContact CD2-CE1 3.86Å; L182-E260 HydrophobicContact CD1-CB 4.47Å; L182-E260 HydrophobicContact CD2-CB 4.22Å
183	E	92.8	Very high	91.2	Very high	93 Å²	93	59.6 Å²	59.6	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-46.7	-177.7	-75.3	-179.1	160	0	0	111.8	K179 N180 K186 E187	K179-E183 WeakPolarHBondContact CE-OE1 3.12Å; K179-E183 WeakPolarHBondContact CE-OE2 3.37Å; K179-E183 HydrophobicContact CG-CG 4.29Å; K179-E183 IonicContact NZ-OE1 2.71Å; K179-E183 WeakPolarHBondContact O-CB 3.31Å; K179-E183 WeakPolarHBondContact O-CG 3.33Å; K179-E183 PolarHBondContact O-N 3.46Å; N180-E183 PolarHBondContact O-N 3.44Å; E183-K186 PolarHBondContact O-N 2.94Å; E183-E187 WeakPolarHBondContact O-CB 3.46Å; E183-E187 PolarHBondContact O-N 3.04Å
184	W	94.2	Very high	91.8	Very high	43 Å²	43	55.4 Å²	55.4	16%	0.163	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-35.8	-179.4	-60.5	-27.9	0	0	0	112.8	N180 K186 E187 L188 F214 R217 V218 L221	N180-W184 HydrophobicContact CB-CD2 4.07Å; N180-W184 HydrophobicContact CB-CE3 3.95Å; N180-W184 HydrophobicContact CB-CH2 3.74Å; N180-W184 HydrophobicContact CB-CZ2 3.8Å; N180-W184 HydrophobicContact CB-CZ3 3.79Å; N180-W184 VanDerWaalsContact O-CB 3.31Å; N180-W184 WeakPolarHBondContact O-CB 3.41Å; N180-W184 PolarHBondContact O-N 2.89Å; W184-K186 VanDerWaalsContact C-N 3.31Å; W184-K186 PolarHBondContact O-N 3.35Å; W184-E187 PolarHBondContact O-N 2.81Å; W184-L188 VanDerWaalsContact O-CB 3.31Å; W184-L188 WeakPolarHBondContact O-CB 3.38Å; W184-L188 VanDerWaalsContact O-CG 3.28Å; W184-L188 WeakPolarHBondContact O-CG 3.39Å; W184-L188 PolarHBondContact O-N 3.3Å; W184-F214 HydrophobicContact CB-CD2 4.05Å; W184-F214 HydrophobicContact CB-CE2 4.24Å; W184-R217 HydrophobicContact CD2-CB 4.07Å; W184-R217 HydrophobicContact CE3-CB 3.71Å; W184-R217 HydrophobicContact CH2-CB 3.99Å; W184-R217 HydrophobicContact CZ2-CB 4.37Å; W184-R217 HydrophobicContact CZ3-CB 3.67Å; W184-V218 HydrophobicContact CE3-CG2 3.8Å; W184-V218 HydrophobicContact CZ3-CG2 3.92Å; W184-L221 HydrophobicContact CH2-CD1 3.97Å; W184-L221 HydrophobicContact CH2-CD2 3.98Å; W184-L221 HydrophobicContact CH2-CG 4.15Å; W184-L221 HydrophobicContact CZ3-CD1 3.81Å; W184-L221 HydrophobicContact CZ3-CG 4.29Å
185	S	93.6	Very high	92.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-45.1	172.5	-68.2	0	0	0	0	111	I181 G189 L190 F214 F258	I181-S185 WeakPolarHBondContact O-CB 3.36Å; I181-S185 PolarHBondContact O-N 2.9Å; I181-S185 VanDerWaalsContact O-N 3.08Å; I181-S185 PolarHBondContact O-OG 2.92Å; S185-G189 PolarHBondContact O-N 3.04Å; S185-L190 PolarHBondContact O-N 2.56Å; S185-F214 WeakPolarHBondContact OG-CE2 3.32Å; S185-F258 VanDerWaalsContact CB-CD2 3.5Å; S185-F258 WeakPolarHBondContact OG-CD2 3.42Å; S185-F258 WeakPolarHBondContact OG-CE2 3.46Å; S185-F258 WeakPolarHBondContact OG-CG 3.15Å; S185-F258 WeakPolarHBondContact OG-CZ 3.38Å
186	K	92.6	Very high	92.2	Very high	180 Å²	180	44.3 Å²	44.3	78%	0.783	23%	0.227	S	C	*	.	H	α-helix	trans	-67.2	-43.9	178.4	-171.9	-178.3	180	-178.7	0	112.4	L182 E183 W184 L188 G189	L182-K186 PolarHBondContact O-N 2.81Å; L182-K186 VanDerWaalsContact O-N 3.16Å; E183-K186 PolarHBondContact O-N 2.94Å; W184-K186 VanDerWaalsContact C-N 3.31Å; W184-K186 PolarHBondContact O-N 3.35Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 2.92Å; K186-G189 PolarHBondContact O-N 3.41Å
187	E	92.3	Very high	92.3	Very high	119 Å²	119	41 Å²	41	56%	0.556	21%	0.205	S	C	*	.	H	α-helix	trans	-58.3	-41.8	178	-175.9	-167.4	141.2	0	0	111.6	E183 W184 G189 R217	E183-E187 WeakPolarHBondContact O-CB 3.46Å; E183-E187 PolarHBondContact O-N 3.04Å; W184-E187 PolarHBondContact O-N 2.81Å; E187-G189 VanDerWaalsContact C-N 3.3Å; E187-G189 PolarHBondContact O-N 2.93Å; E187-R217 IonicContact OE1-CZ 2.75Å; E187-R217 IonicContact OE1-NH1 2.78Å; E187-R217 PolarHBondContact OE1-NH1 3.07Å; E187-R217 IonicContact OE1-NH2 2.65Å; E187-R217 PolarHBondContact OE1-NH2 2.76Å; E187-R217 IonicContact OE2-NH1 2.81Å; E187-R217 PolarHBondContact OE2-NH1 3.37Å
188	L	90.3	Very high	92	Very high	38 Å²	38	44.3 Å²	44.3	20%	0.199	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.2	-177.6	-64.3	169.1	0	0	0	113.4	W184 K186 L190 A210 E213 F214	W184-L188 VanDerWaalsContact O-CB 3.31Å; W184-L188 WeakPolarHBondContact O-CB 3.38Å; W184-L188 VanDerWaalsContact O-CG 3.28Å; W184-L188 WeakPolarHBondContact O-CG 3.39Å; W184-L188 PolarHBondContact O-N 3.3Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 2.92Å; L188-L190 HydrophobicContact CB-CD1 4.03Å; L188-L190 HydrophobicContact CB-CG 3.92Å; L188-L190 HydrophobicContact CD1-CD1 4.31Å; L188-L190 PolarHBondContact O-N 2.77Å; L188-A210 HydrophobicContact CB-CB 4.3Å; L188-E213 HydrophobicContact CD1-CB 4.33Å; L188-E213 HydrophobicContact CD1-CG 4.06Å; L188-E213 HydrophobicContact CD2-CB 4.32Å; L188-E213 HydrophobicContact CD2-CG 3.77Å; L188-F214 HydrophobicContact CD1-CB 3.67Å; L188-F214 HydrophobicContact CD1-CD2 4.38Å
189	G	90.3	Very high	91.8	Very high	56 Å²	56	41.9 Å²	41.9	58%	0.577	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	26.4	-178.7	0	0	0	0	0	113.6	S185 K186 E187	S185-G189 PolarHBondContact O-N 3.04Å; K186-G189 PolarHBondContact O-N 3.41Å; E187-G189 VanDerWaalsContact C-N 3.3Å; E187-G189 PolarHBondContact O-N 2.93Å
190	L	94.1	Very high	91.7	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	19%	0.187	C	C	.	.			trans	-84.9	151	179.4	-62.5	175.6	0	0	0	110.8	S185 L188 V204 A210 F214	S185-L190 PolarHBondContact O-N 2.56Å; L188-L190 HydrophobicContact CB-CD1 4.03Å; L188-L190 HydrophobicContact CB-CG 3.92Å; L188-L190 HydrophobicContact CD1-CD1 4.31Å; L188-L190 PolarHBondContact O-N 2.77Å; L190-V204 HydrophobicContact CD1-CB 4.13Å; L190-V204 HydrophobicContact CD1-CG1 4.25Å; L190-A210 HydrophobicContact CD2-CB 3.66Å; L190-A210 HydrophobicContact CG-CB 4.25Å; L190-F214 HydrophobicContact CD1-CB 3.45Å; L190-F214 VanDerWaalsContact CD1-CB 3.45Å; L190-F214 HydrophobicContact CD1-CD2 4.03Å; L190-F214 HydrophobicContact CD1-CG 3.81Å
191	S	94.3	Very high	91.9	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	168	169.8	68.8	0	0	0	0	110.4	V204 E205 H253 F255 G257	S191-V204 CarbonylContact O-C 3.52Å; S191-V204 WeakPolarHBondContact O-CA 2.75Å; S191-E205 PolarHBondContact N-O 3.49Å; S191-E205 PolarHBondContact O-N 3.4Å; S191-E205 WeakPolarHBondContact OG-CG 3.27Å; S191-E205 PolarHBondContact OG-O 3.35Å; S191-E205 PolarHBondContact OG-OE1 3.14Å; S191-H253 PolarHBondContact OG-CE1 3.48Å; S191-H253 VanDerWaalsContact OG-CE1 3.24Å; S191-H253 PolarHBondContact OG-ND1 3.36Å; S191-F255 WeakPolarHBondContact CB-O 3.37Å; S191-F255 PolarHBondContact OG-O 3.16Å; S191-G257 CarbonylContact C-O 3.46Å; S191-G257 WeakPolarHBondContact CA-O 3.21Å; S191-G257 WeakPolarHBondContact CB-O 3.49Å
192	G	95.3	Very high	92	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.8	-150.1	-179	0	0	0	0	0	112	C203 G257 F258 E259	G192-C203 CarbonylContact C-O 3.56Å; G192-C203 VanDerWaalsContact CA-O 3.32Å; G192-C203 WeakPolarHBondContact CA-O 3.39Å; G192-G257 PolarHBondContact N-O 3.44Å; G192-F258 WeakPolarHBondContact O-CA 3.39Å; G192-E259 PolarHBondContact O-N 3.03Å
193	F	95.6	Very high	92	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.1	179	71.1	-80.7	0	0	0	112.8	W166 M195 I201 V202 C203 F255 E259 A261 L278 F281 L282	W166-F193 AromaticContact CZ3-CE1 3.89Å; W166-F193 HydrophobicContact CZ3-CE1 3.89Å; W166-F193 HydrophobicContact CZ3-CZ 4.2Å; F193-M195 HydrophobicContact CE2-CB 4.42Å; F193-I201 HydrophobicContact CE2-CG2 4.11Å; F193-I201 HydrophobicContact CZ-CG2 4.22Å; F193-V202 CarbonylContact O-C 3.47Å; F193-V202 WeakPolarHBondContact O-CA 3.47Å; F193-C203 HydrophobicContact CD1-CB 3.59Å; F193-C203 HydrophobicContact CE1-CB 3.33Å; F193-C203 HydrophobicContact CG-CB 4.46Å; F193-C203 HydrophobicContact CZ-CB 4.03Å; F193-C203 PolarHBondContact N-O 3.38Å; F193-C203 PolarHBondContact O-N 2.94Å; F193-F255 HydrophobicContact CD1-CD1 4.07Å; F193-F255 AromaticContact CD1-CE1 3.48Å; F193-F255 HydrophobicContact CD1-CE1 3.48Å; F193-F255 VanDerWaalsContact CD1-CE1 3.48Å; F193-F255 HydrophobicContact CD1-CE2 4.41Å; F193-F255 AromaticContact CD1-CZ 3.69Å; F193-F255 HydrophobicContact CD1-CZ 3.69Å; F193-F255 AromaticContact CE1-CE1 3.78Å; F193-F255 HydrophobicContact CE1-CE1 3.78Å; F193-F255 HydrophobicContact CE1-CE2 4.45Å; F193-F255 AromaticContact CE1-CZ 3.61Å; F193-F255 HydrophobicContact CE1-CZ 3.61Å; F193-E259 CarbonylContact C-O 3.45Å; F193-E259 WeakPolarHBondContact CA-O 3.46Å; F193-E259 HydrophobicContact CB-CG 4.45Å; F193-E259 WeakPolarHBondContact CB-O 3.31Å; F193-A261 HydrophobicContact CB-CB 4.48Å; F193-A261 HydrophobicContact CD2-CB 4.07Å; F193-L278 HydrophobicContact CE2-CD1 4.08Å; F193-L278 HydrophobicContact CZ-CD1 4.31Å; F193-F281 HydrophobicContact CB-CZ 4.37Å; F193-F281 AromaticContact CD1-CE1 3.66Å; F193-F281 HydrophobicContact CD1-CE1 3.66Å; F193-F281 HydrophobicContact CD1-CZ 4.13Å; F193-F281 HydrophobicContact CD2-CE1 4.06Å; F193-F281 AromaticContact CE1-CE1 3.75Å; F193-F281 HydrophobicContact CE1-CE1 3.75Å; F193-F281 HydrophobicContact CE2-CE1 4.14Å; F193-F281 AromaticContact CG-CE1 3.83Å; F193-F281 HydrophobicContact CG-CE1 3.83Å; F193-F281 HydrophobicContact CG-CZ 4.12Å; F193-F281 AromaticContact CZ-CE1 3.99Å; F193-F281 HydrophobicContact CZ-CE1 3.99Å; F193-L282 HydrophobicContact CE1-CD2 4.18Å; F193-L282 HydrophobicContact CZ-CD2 4.02Å
194	S	95.3	Very high	92.2	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.9	162.5	61.5	0	0	0	0	110.7	P196 I201 E259 E260 A261	S194-P196 WeakPolarHBondContact O-CD 3.38Å; S194-I201 CarbonylContact C-O 3.57Å; S194-I201 WeakPolarHBondContact CA-O 3.34Å; S194-E259 PolarHBondContact N-O 3Å; S194-E260 CarbonylContact O-C 3.56Å; S194-E260 VanDerWaalsContact O-CA 3.31Å; S194-E260 WeakPolarHBondContact O-CA 3.5Å; S194-E260 WeakPolarHBondContact O-CG 3.17Å; S194-A261 PolarHBondContact O-N 2.74Å
195	M	92.4	Very high	92.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	104.2	170	-174.2	-170.8	73.8	0	0	108.6	F193 P199 G200 I201 F263 M273 L278	F193-M195 HydrophobicContact CE2-CB 4.42Å; M195-P199 WeakPolarHBondContact CE-O 3.39Å; M195-G200 WeakPolarHBondContact O-CA 3.24Å; M195-I201 HydrophobicContact CB-CB 4.19Å; M195-I201 HydrophobicContact CE-CB 4.18Å; M195-I201 HydrophobicContact CE-CG1 3.63Å; M195-I201 PolarHBondContact N-O 2.79Å; M195-I201 PolarHBondContact O-N 2.85Å; M195-F263 HydrophobicContact CB-CE2 4.3Å; M195-F263 HydrophobicContact CG-CD2 3.72Å; M195-F263 HydrophobicContact CG-CE2 3.72Å; M195-F263 HydrophobicContact SD-CD2 3.43Å; M195-F263 WeakPolarHBondContact SD-CD2 3.43Å; M195-F263 HydrophobicContact SD-CE2 3.48Å; M195-F263 WeakPolarHBondContact SD-CE2 3.26Å; M195-M273 HydrophobicContact CE-CB 4.24Å; M195-M273 HydrophobicContact CG-CB 4.15Å; M195-M273 HydrophobicContact CG-CE 4.47Å; M195-M273 HydrophobicContact CG-CG 3.89Å; M195-M273 HydrophobicContact SD-CB 3.69Å; M195-M273 HydrophobicContact SD-CG 4.09Å; M195-L278 HydrophobicContact CE-CD2 4.01Å; M195-L278 HydrophobicContact SD-CB 4.23Å; M195-L278 HydrophobicContact SD-CD1 4.1Å; M195-L278 HydrophobicContact SD-CD2 3.98Å; M195-L278 HydrophobicContact SD-CG 4.33Å
196	P	89.1	Confident	92	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.058	14%	0.135	C	C	.	.			trans	-68.4	164.2	172.9	31.1	-34.7	0	0	0	110.6	I172 R178 S194 E260 M273	I172-P196 WeakPolarHBondContact O-CB 3.49Å; R178-P196 HydrophobicContact CG-CB 4.37Å; S194-P196 WeakPolarHBondContact O-CD 3.38Å; P196-E260 HydrophobicContact CG-CG 3.95Å; P196-M273 WeakPolarHBondContact O-CG 3.19Å
197	G	86.3	Confident	91.8	Very high	6 Å²	6	19.1 Å²	19.1	6%	0.062	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	116.8	-160.2	-177.7	0	0	0	0	0	113.2	H171 I172 P199 G200 N271	H171-G197 CarbonylContact C-O 3.57Å; H171-G197 WeakPolarHBondContact CA-O 3.23Å; H171-G197 WeakPolarHBondContact CB-O 3.21Å; I172-G197 PolarHBondContact N-O 2.86Å; I172-G197 PolarHBondContact O-N 3.08Å; G197-P199 CarbonylContact C-O 3.56Å; G197-P199 CarbonylContact O-C 3.57Å; G197-G200 PolarHBondContact O-N 2.85Å; G197-N271 WeakPolarHBondContact CA-O 3.39Å
198	K	83.1	Confident	91.6	Very high	84 Å²	84	16.5 Å²	16.5	37%	0.365	10%	0.102	S	C	.	.	S	Bend	trans	-124.9	115.2	175.8	177.6	176.7	-177.4	-167.1	0	110.9	H171 Y173 N271 H272	H171-K198 HydrophobicContact CB-CB 4.16Å; Y173-K198 HydrophobicContact CE1-CB 4.36Å; Y173-K198 WeakPolarHBondContact OH-CB 3.45Å; K198-N271 PolarHBondContact N-O 2.93Å; K198-N271 VanDerWaalsContact N-O 3.13Å; K198-H272 PolarHBondContact O-CD2 3.17Å; K198-H272 VanDerWaalsContact O-CD2 3.31Å
199	P	87.2	Confident	91.4	Very high	17 Å²	17	19.2 Å²	19.2	11%	0.11	12%	0.124	C	C	.	.	S	Bend	cis	-70.1	163.5	-6.3	33.4	-36.2	0	0	0	111.9	Y168 S169 M195 G197 I201 F295	Y168-P199 HydrophobicContact CD2-CB 4.17Å; Y168-P199 HydrophobicContact CE2-CB 3.37Å; Y168-P199 HydrophobicContact CE2-CG 3.86Å; S169-P199 WeakPolarHBondContact O-CB 3.41Å; M195-P199 WeakPolarHBondContact CE-O 3.39Å; G197-P199 CarbonylContact C-O 3.56Å; G197-P199 CarbonylContact O-C 3.57Å; P199-I201 HydrophobicContact CG-CD1 4.3Å; P199-F295 HydrophobicContact CG-CE1 3.68Å; P199-F295 HydrophobicContact CG-CZ 3.93Å
200	G	89.9	Confident	91.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.3	170.2	0	0	0	0	0	109.8	S169 M195 G197	S169-G200 PolarHBondContact N-O 2.95Å; S169-G200 PolarHBondContact O-N 3.35Å; S169-G200 VanDerWaalsContact O-N 3.07Å; S169-G200 VanDerWaalsContact OG-CA 3.32Å; S169-G200 WeakPolarHBondContact OG-CA 3.46Å; S169-G200 PolarHBondContact OG-O 2.93Å; M195-G200 WeakPolarHBondContact O-CA 3.24Å; G197-G200 PolarHBondContact O-N 2.85Å
201	I	92.9	Very high	90.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.5	-177.5	-57.3	-63.6	0	0	0	108.8	Y168 F193 S194 M195 P199 L278 Y294 F295	Y168-I201 HydrophobicContact CD2-CD1 3.72Å; Y168-I201 HydrophobicContact CE2-CD1 4.4Å; F193-I201 HydrophobicContact CE2-CG2 4.11Å; F193-I201 HydrophobicContact CZ-CG2 4.22Å; S194-I201 CarbonylContact C-O 3.57Å; S194-I201 WeakPolarHBondContact CA-O 3.34Å; M195-I201 HydrophobicContact CB-CB 4.19Å; M195-I201 HydrophobicContact CE-CB 4.18Å; M195-I201 HydrophobicContact CE-CG1 3.63Å; M195-I201 PolarHBondContact N-O 2.79Å; M195-I201 PolarHBondContact O-N 2.85Å; P199-I201 HydrophobicContact CG-CD1 4.3Å; I201-L278 HydrophobicContact CG1-CD2 4.45Å; I201-Y294 HydrophobicContact CD1-CD1 3.75Å; I201-Y294 HydrophobicContact CD1-CE1 3.8Å; I201-Y294 HydrophobicContact CD1-CG 4.13Å; I201-Y294 HydrophobicContact CG2-CE1 4.29Å; I201-Y294 HydrophobicContact CG2-CE2 3.85Å; I201-F295 HydrophobicContact CD1-CZ 4.49Å
202	V	95.6	Very high	90.6	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.2	172.9	-176	0	0	0	0	108.4	I167 I172 I181 F193 V204 F214 F258	I167-V202 WeakPolarHBondContact CA-O 3.22Å; I167-V202 HydrophobicContact CB-CB 4.14Å; I167-V202 WeakPolarHBondContact CB-O 3.47Å; I167-V202 HydrophobicContact CD1-CB 4.49Å; I167-V202 HydrophobicContact CD1-CG1 4.48Å; I167-V202 PolarHBondContact N-O 3.22Å; I167-V202 PolarHBondContact O-N 3.26Å; I172-V202 HydrophobicContact CD1-CG2 3.69Å; I181-V202 HydrophobicContact CD1-CG2 4.11Å; I181-V202 HydrophobicContact CG2-CG1 4.3Å; F193-V202 CarbonylContact O-C 3.47Å; F193-V202 WeakPolarHBondContact O-CA 3.47Å; V202-V204 HydrophobicContact CG1-CG1 4.4Å; V202-F214 HydrophobicContact CG1-CE1 4.04Å; V202-F214 HydrophobicContact CG1-CZ 4.06Å; V202-F258 HydrophobicContact CG1-CE2 4.45Å; V202-F258 HydrophobicContact CG1-CZ 4.25Å
203	C	95.6	Very high	90.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.2	169	-177.6	0	0	0	0	108.3	L165 W166 G192 F193 F258	L165-C203 VanDerWaalsContact O-CA 3.3Å; L165-C203 WeakPolarHBondContact O-CA 3.44Å; W166-C203 HydrophobicContact CD2-CB 4.45Å; W166-C203 HydrophobicContact CE3-CB 3.7Å; W166-C203 VanDerWaalsContact CE3-SG 3.57Å; W166-C203 HydrophobicContact CZ3-CB 3.75Å; W166-C203 VanDerWaalsContact CZ3-SG 3.55Å; G192-C203 CarbonylContact C-O 3.56Å; G192-C203 VanDerWaalsContact CA-O 3.32Å; G192-C203 WeakPolarHBondContact CA-O 3.39Å; F193-C203 HydrophobicContact CD1-CB 3.59Å; F193-C203 HydrophobicContact CE1-CB 3.33Å; F193-C203 HydrophobicContact CG-CB 4.46Å; F193-C203 HydrophobicContact CZ-CB 4.03Å; F193-C203 PolarHBondContact N-O 3.38Å; F193-C203 PolarHBondContact O-N 2.94Å; C203-F258 WeakPolarHBondContact O-CE2 3.38Å
204	V	96.3	Very high	90	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.9	169	-72.2	0	0	0	0	110	R164 L165 L190 S191 V202 F214 F258	R164-V204 CarbonylContact C-O 3.56Å; R164-V204 WeakPolarHBondContact CA-O 3.38Å; L165-V204 HydrophobicContact CB-CG2 3.89Å; L165-V204 HydrophobicContact CD1-CG2 4.25Å; L165-V204 HydrophobicContact CG-CG2 4.31Å; L165-V204 PolarHBondContact N-O 2.84Å; L165-V204 PolarHBondContact O-N 2.82Å; L165-V204 VanDerWaalsContact O-N 3.09Å; L190-V204 HydrophobicContact CD1-CB 4.13Å; L190-V204 HydrophobicContact CD1-CG1 4.25Å; S191-V204 CarbonylContact O-C 3.52Å; S191-V204 WeakPolarHBondContact O-CA 2.75Å; V202-V204 HydrophobicContact CG1-CG1 4.4Å; V204-F214 HydrophobicContact CB-CD1 4.3Å; V204-F214 HydrophobicContact CB-CE1 4.39Å; V204-F214 HydrophobicContact CG1-CD1 3.74Å; V204-F214 HydrophobicContact CG1-CD2 4.31Å; V204-F214 HydrophobicContact CG1-CE1 3.48Å; V204-F214 VanDerWaalsContact CG1-CE1 3.48Å; V204-F214 HydrophobicContact CG1-CE2 4.09Å; V204-F214 HydrophobicContact CG1-CG 4.14Å; V204-F214 HydrophobicContact CG1-CZ 3.66Å; V204-F214 HydrophobicContact CG2-CD1 3.67Å; V204-F214 HydrophobicContact CG2-CE1 4Å; V204-F214 HydrophobicContact CG2-CG 4.37Å; V204-F258 HydrophobicContact CG1-CD2 4.07Å; V204-F258 HydrophobicContact CG1-CE2 3.55Å
205	E	92.1	Very high	89.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	145.5	174.5	71.3	-178.3	-179.6	0	0	111.8	F162 S163 R164 S191 H253 K254 F255	F162-E205 HydrophobicContact CE1-CB 3.89Å; F162-E205 HydrophobicContact CE1-CG 4.42Å; F162-E205 HydrophobicContact CZ-CB 3.68Å; F162-E205 HydrophobicContact CZ-CG 3.82Å; S163-E205 VanDerWaalsContact O-CA 3.23Å; S163-E205 WeakPolarHBondContact O-CA 3.44Å; R164-E205 HydrophobicContact CB-CB 3.9Å; R164-E205 HydrophobicContact CG-CB 3.92Å; R164-E205 IonicContact CZ-OE2 2.8Å; R164-E205 IonicContact NE-OE2 3.03Å; R164-E205 PolarHBondContact NE-OE2 2.87Å; R164-E205 IonicContact NH2-OE2 3.31Å; R164-E205 PolarHBondContact NH2-OE2 2.8Å; S191-E205 PolarHBondContact N-O 3.49Å; S191-E205 PolarHBondContact O-N 3.4Å; S191-E205 WeakPolarHBondContact OG-CG 3.27Å; S191-E205 PolarHBondContact OG-O 3.35Å; S191-E205 PolarHBondContact OG-OE1 3.14Å; E205-H253 VanDerWaalsContact OE1-CA 3.29Å; E205-H253 WeakPolarHBondContact OE1-CA 3.39Å; E205-H253 IonicContact OE1-ND1 3.54Å; E205-K254 PolarHBondContact OE1-N 2.7Å; E205-K254 PolarHBondContact OE2-N 3.2Å; E205-F255 HydrophobicContact CG-CD2 4.36Å; E205-F255 WeakPolarHBondContact OE1-CD2 3.15Å; E205-F255 PolarHBondContact OE1-N 3.21Å
206	G	91.3	Very high	89.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.2	-158.5	-176.7	0	0	0	0	0	111.7	F162 S163 Q208	F162-G206 WeakPolarHBondContact CA-O 3.19Å; S163-G206 PolarHBondContact N-O 2.95Å; S163-G206 PolarHBondContact O-N 3.06Å; S163-G206 VanDerWaalsContact O-N 3.07Å; G206-Q208 PolarHBondContact O-N 3.47Å
207	P	89.1	Confident	89	Confident	53 Å²	53	28.9 Å²	28.9	34%	0.344	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	135.7	174.2	-23.6	34.1	0	0	0	111.4	S209 A210 C211	P207-S209 PolarHBondContact O-N 2.95Å; P207-S209 VanDerWaalsContact O-N 3.14Å; P207-A210 HydrophobicContact CB-CB 4.36Å; P207-A210 WeakPolarHBondContact O-CB 3.46Å; P207-A210 PolarHBondContact O-N 3.21Å; P207-C211 PolarHBondContact O-N 2.87Å
208	Q	88.2	Confident	88.9	Confident	65 Å²	65	28.6 Å²	28.6	30%	0.304	15%	0.152	S	C	.	.	H	α-helix	trans	-53	-41.3	-176.2	-173.3	-176.8	27.5	0	0	112.9	V161 G206 A210 C211 E212	V161-Q208 HydrophobicContact CB-CB 4.03Å; V161-Q208 HydrophobicContact CG1-CB 4.15Å; V161-Q208 HydrophobicContact CG1-CG 4.47Å; V161-Q208 WeakPolarHBondContact O-CB 2.96Å; V161-Q208 PolarHBondContact O-N 2.76Å; G206-Q208 PolarHBondContact O-N 3.47Å; Q208-A210 VanDerWaalsContact C-N 3.35Å; Q208-A210 PolarHBondContact O-N 3.19Å; Q208-C211 PolarHBondContact O-N 2.88Å; Q208-E212 WeakPolarHBondContact O-CG 3.38Å; Q208-E212 PolarHBondContact O-N 3Å
209	S	86.4	Confident	88.9	Confident	94 Å²	94	29.5 Å²	29.5	66%	0.657	16%	0.155	S	C	*	.	H	α-helix	trans	-60.1	-42.4	177.3	51.4	0	0	0	0	112.7	P207 E213	P207-S209 PolarHBondContact O-N 2.95Å; P207-S209 VanDerWaalsContact O-N 3.14Å; S209-E213 WeakPolarHBondContact O-CB 3.34Å; S209-E213 PolarHBondContact O-N 3.07Å
210	A	87.4	Confident	88.1	Confident	13 Å²	13	34 Å²	34	11%	0.107	18%	0.182	C	C	.	.	H	α-helix	trans	-68.3	-40.8	177.7	0	0	0	0	0	111.4	L188 L190 P207 Q208 E213 F214	L188-A210 HydrophobicContact CB-CB 4.3Å; L190-A210 HydrophobicContact CD2-CB 3.66Å; L190-A210 HydrophobicContact CG-CB 4.25Å; P207-A210 HydrophobicContact CB-CB 4.36Å; P207-A210 WeakPolarHBondContact O-CB 3.46Å; P207-A210 PolarHBondContact O-N 3.21Å; Q208-A210 VanDerWaalsContact C-N 3.35Å; Q208-A210 PolarHBondContact O-N 3.19Å; A210-E213 PolarHBondContact O-N 2.75Å; A210-F214 WeakPolarHBondContact O-CB 3.25Å; A210-F214 PolarHBondContact O-N 2.94Å
211	C	86.6	Confident	87.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-41.4	175.7	-67.3	0	0	0	0	112.6	S163 L165 P207 Q208 F214 W215	S163-C211 PolarHBondContact O-SG 3.21Å; S163-C211 VanDerWaalsContact O-SG 3.34Å; L165-C211 HydrophobicContact CD1-CB 3.89Å; L165-C211 WeakPolarHBondContact CD1-O 3.31Å; L165-C211 HydrophobicContact CG-CB 4.08Å; P207-C211 PolarHBondContact O-N 2.87Å; Q208-C211 PolarHBondContact O-N 2.88Å; C211-F214 PolarHBondContact O-N 3.06Å; C211-W215 WeakPolarHBondContact O-CB 3.43Å; C211-W215 PolarHBondContact O-N 3.23Å
212	E	87.6	Confident	86.4	Confident	67 Å²	67	41.4 Å²	41.4	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-64.9	-41.3	175.3	-72.5	-60.3	156.4	0	0	112.1	Q208 W215 S216 R231	Q208-E212 WeakPolarHBondContact O-CG 3.38Å; Q208-E212 PolarHBondContact O-N 3Å; E212-W215 PolarHBondContact O-N 3.45Å; E212-S216 WeakPolarHBondContact O-CB 3.46Å; E212-S216 PolarHBondContact O-N 3.14Å; E212-R231 IonicContact OE1-CZ 2.91Å; E212-R231 IonicContact OE1-NH1 3.04Å; E212-R231 PolarHBondContact OE1-NH1 3.36Å; E212-R231 IonicContact OE1-NH2 2.66Å; E212-R231 PolarHBondContact OE1-NH2 3.47Å
213	E	85	Confident	85.7	Confident	75 Å²	75	43.2 Å²	43.2	35%	0.35	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-43.3	176.3	176.7	57.1	-167.8	0	0	111.5	L188 S209 A210 W215 S216 R217	L188-E213 HydrophobicContact CD1-CB 4.33Å; L188-E213 HydrophobicContact CD1-CG 4.06Å; L188-E213 HydrophobicContact CD2-CB 4.32Å; L188-E213 HydrophobicContact CD2-CG 3.77Å; S209-E213 WeakPolarHBondContact O-CB 3.34Å; S209-E213 PolarHBondContact O-N 3.07Å; A210-E213 PolarHBondContact O-N 2.75Å; E213-W215 VanDerWaalsContact C-N 3.31Å; E213-W215 PolarHBondContact O-N 3.09Å; E213-S216 WeakPolarHBondContact O-CB 3.06Å; E213-S216 PolarHBondContact O-N 2.6Å; E213-S216 PolarHBondContact O-OG 3.23Å; E213-S216 PolarHBondContact OE2-OG 2.91Å; E213-R217 WeakPolarHBondContact O-CG 2.93Å; E213-R217 PolarHBondContact O-N 3.43Å; E213-R217 VanDerWaalsContact O-N 3.15Å; E213-R217 IonicContact OE1-CZ 3.5Å; E213-R217 IonicContact OE1-NE 3.68Å; E213-R217 PolarHBondContact OE1-NE 3.34Å; E213-R217 IonicContact OE1-NH2 3.36Å; E213-R217 PolarHBondContact OE1-NH2 3.28Å
214	F	93.1	Very high	84.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-46.6	173.2	177.8	-91.9	0	0	0	111.5	I167 I181 W184 S185 L188 L190 V202 V204 A210 C211 S216 R217 V218	I167-F214 HydrophobicContact CD1-CD1 4.47Å; I167-F214 HydrophobicContact CD1-CE1 4.11Å; I181-F214 HydrophobicContact CG2-CZ 4.06Å; W184-F214 HydrophobicContact CB-CD2 4.05Å; W184-F214 HydrophobicContact CB-CE2 4.24Å; S185-F214 WeakPolarHBondContact OG-CE2 3.32Å; L188-F214 HydrophobicContact CD1-CB 3.67Å; L188-F214 HydrophobicContact CD1-CD2 4.38Å; L190-F214 HydrophobicContact CD1-CB 3.45Å; L190-F214 VanDerWaalsContact CD1-CB 3.45Å; L190-F214 HydrophobicContact CD1-CD2 4.03Å; L190-F214 HydrophobicContact CD1-CG 3.81Å; V202-F214 HydrophobicContact CG1-CE1 4.04Å; V202-F214 HydrophobicContact CG1-CZ 4.06Å; V204-F214 HydrophobicContact CB-CD1 4.3Å; V204-F214 HydrophobicContact CB-CE1 4.39Å; V204-F214 HydrophobicContact CG1-CD1 3.74Å; V204-F214 HydrophobicContact CG1-CD2 4.31Å; V204-F214 HydrophobicContact CG1-CE1 3.48Å; V204-F214 VanDerWaalsContact CG1-CE1 3.48Å; V204-F214 HydrophobicContact CG1-CE2 4.09Å; V204-F214 HydrophobicContact CG1-CG 4.14Å; V204-F214 HydrophobicContact CG1-CZ 3.66Å; V204-F214 HydrophobicContact CG2-CD1 3.67Å; V204-F214 HydrophobicContact CG2-CE1 4Å; V204-F214 HydrophobicContact CG2-CG 4.37Å; A210-F214 WeakPolarHBondContact O-CB 3.25Å; A210-F214 PolarHBondContact O-N 2.94Å; C211-F214 PolarHBondContact O-N 3.06Å; F214-S216 VanDerWaalsContact C-N 3.33Å; F214-S216 PolarHBondContact O-N 3.27Å; F214-R217 PolarHBondContact O-N 2.92Å; F214-V218 HydrophobicContact CD1-CG2 4.07Å; F214-V218 HydrophobicContact CD2-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CB 4.42Å; F214-V218 HydrophobicContact CE1-CG2 3.65Å; F214-V218 HydrophobicContact CE2-CG2 3.96Å; F214-V218 HydrophobicContact CG-CG2 4.42Å; F214-V218 HydrophobicContact CZ-CG2 3.59Å; F214-V218 WeakPolarHBondContact O-CB 3.38Å; F214-V218 WeakPolarHBondContact O-CG2 3.01Å; F214-V218 PolarHBondContact O-N 2.98Å
215	W	92	Very high	83.1	Confident	36 Å²	36	56.4 Å²	56.4	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-37.7	177.5	175.5	-123.8	0	0	0	112.4	L165 I167 C211 E212 E213 R217 V218 K219 I226 I228	L165-W215 HydrophobicContact CD1-CB 4.02Å; I167-W215 HydrophobicContact CD1-CE3 3.78Å; I167-W215 HydrophobicContact CD1-CZ3 4.18Å; I167-W215 HydrophobicContact CG1-CE3 4.13Å; I167-W215 HydrophobicContact CG1-CZ3 4.18Å; I167-W215 HydrophobicContact CG2-CE3 4.45Å; I167-W215 HydrophobicContact CG2-CZ3 3.74Å; C211-W215 WeakPolarHBondContact O-CB 3.43Å; C211-W215 PolarHBondContact O-N 3.23Å; E212-W215 PolarHBondContact O-N 3.45Å; E213-W215 VanDerWaalsContact C-N 3.31Å; E213-W215 PolarHBondContact O-N 3.09Å; W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 3.12Å; W215-V218 PolarHBondContact O-N 3.3Å; W215-K219 HydrophobicContact CD2-CB 4.15Å; W215-K219 HydrophobicContact CE3-CB 4.19Å; W215-K219 HydrophobicContact CH2-CB 3.89Å; W215-K219 HydrophobicContact CZ2-CB 3.84Å; W215-K219 HydrophobicContact CZ2-CD 4.49Å; W215-K219 HydrophobicContact CZ3-CB 4.07Å; W215-K219 VanDerWaalsContact O-CB 3.3Å; W215-K219 WeakPolarHBondContact O-CB 3.48Å; W215-K219 WeakPolarHBondContact O-CD 3.17Å; W215-K219 VanDerWaalsContact O-CG 3.27Å; W215-K219 WeakPolarHBondContact O-CG 3.43Å; W215-K219 PolarHBondContact O-N 2.95Å; W215-I226 HydrophobicContact CH2-CD1 4.35Å; W215-I226 HydrophobicContact CH2-CG1 3.93Å; W215-I226 HydrophobicContact CH2-CG2 4.23Å; W215-I226 HydrophobicContact CZ3-CD1 3.85Å; W215-I226 HydrophobicContact CZ3-CG1 3.84Å; W215-I228 HydrophobicContact CD2-CD1 3.86Å; W215-I228 HydrophobicContact CD2-CG1 3.97Å; W215-I228 HydrophobicContact CE3-CG1 4.23Å; W215-I228 HydrophobicContact CG-CD1 3.91Å; W215-I228 HydrophobicContact CH2-CG1 4.25Å; W215-I228 HydrophobicContact CZ2-CD1 4.3Å; W215-I228 HydrophobicContact CZ2-CG1 3.98Å; W215-I228 HydrophobicContact CZ3-CG1 4.37Å
216	S	80.6	Confident	82.9	Confident	38 Å²	38	58 Å²	58	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-58.3	-42.7	177.8	93.4	0	0	0	0	111.5	E212 E213 F214 K219	E212-S216 WeakPolarHBondContact O-CB 3.46Å; E212-S216 PolarHBondContact O-N 3.14Å; E213-S216 WeakPolarHBondContact O-CB 3.06Å; E213-S216 PolarHBondContact O-N 2.6Å; E213-S216 PolarHBondContact O-OG 3.23Å; E213-S216 PolarHBondContact OE2-OG 2.91Å; F214-S216 VanDerWaalsContact C-N 3.33Å; F214-S216 PolarHBondContact O-N 3.27Å; S216-K219 WeakPolarHBondContact O-CG 3.07Å
217	R	83.6	Confident	82.1	Confident	56 Å²	56	60 Å²	60	21%	0.211	31%	0.308	C	S	.	.	H	α-helix	trans	-75	-44.4	177.9	-62.2	179.8	-173.9	-167.2	5.7	112.9	W184 E187 E213 F214 W215 V220	W184-R217 HydrophobicContact CD2-CB 4.07Å; W184-R217 HydrophobicContact CE3-CB 3.71Å; W184-R217 HydrophobicContact CH2-CB 3.99Å; W184-R217 HydrophobicContact CZ2-CB 4.37Å; W184-R217 HydrophobicContact CZ3-CB 3.67Å; E187-R217 IonicContact OE1-CZ 2.75Å; E187-R217 IonicContact OE1-NH1 2.78Å; E187-R217 PolarHBondContact OE1-NH1 3.07Å; E187-R217 IonicContact OE1-NH2 2.65Å; E187-R217 PolarHBondContact OE1-NH2 2.76Å; E187-R217 IonicContact OE2-NH1 2.81Å; E187-R217 PolarHBondContact OE2-NH1 3.37Å; E213-R217 WeakPolarHBondContact O-CG 2.93Å; E213-R217 PolarHBondContact O-N 3.43Å; E213-R217 VanDerWaalsContact O-N 3.15Å; E213-R217 IonicContact OE1-CZ 3.5Å; E213-R217 IonicContact OE1-NE 3.68Å; E213-R217 PolarHBondContact OE1-NE 3.34Å; E213-R217 IonicContact OE1-NH2 3.36Å; E213-R217 PolarHBondContact OE1-NH2 3.28Å; F214-R217 PolarHBondContact O-N 2.92Å; W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 3.12Å; R217-V220 WeakPolarHBondContact O-CG2 3.38Å
218	V	82.8	Confident	81.9	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.2	-41.2	-176.5	171.4	0	0	0	0	111.6	I181 W184 F214 W215 V220 L221 W223 I226	I181-V218 HydrophobicContact CG1-CG2 4.28Å; W184-V218 HydrophobicContact CE3-CG2 3.8Å; W184-V218 HydrophobicContact CZ3-CG2 3.92Å; F214-V218 HydrophobicContact CD1-CG2 4.07Å; F214-V218 HydrophobicContact CD2-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CB 4.42Å; F214-V218 HydrophobicContact CE1-CG2 3.65Å; F214-V218 HydrophobicContact CE2-CG2 3.96Å; F214-V218 HydrophobicContact CG-CG2 4.42Å; F214-V218 HydrophobicContact CZ-CG2 3.59Å; F214-V218 WeakPolarHBondContact O-CB 3.38Å; F214-V218 WeakPolarHBondContact O-CG2 3.01Å; F214-V218 PolarHBondContact O-N 2.98Å; W215-V218 PolarHBondContact O-N 3.3Å; V218-V220 VanDerWaalsContact C-N 3.25Å; V218-V220 PolarHBondContact O-N 2.6Å; V218-L221 PolarHBondContact O-N 3.26Å; V218-W223 HydrophobicContact CG1-CZ2 3.86Å; V218-W223 PolarHBondContact O-NE1 3.43Å; V218-I226 HydrophobicContact CG1-CD1 3.74Å
219	K	83.6	Confident	81.6	Confident	102 Å²	102	61.8 Å²	61.8	44%	0.443	31%	0.309	S	S	.	.	H	α-helix	trans	-65.5	-24.2	-173.8	76.7	-168	-179.3	-169.8	0	114.2	W215 S216	W215-K219 HydrophobicContact CD2-CB 4.15Å; W215-K219 HydrophobicContact CE3-CB 4.19Å; W215-K219 HydrophobicContact CH2-CB 3.89Å; W215-K219 HydrophobicContact CZ2-CB 3.84Å; W215-K219 HydrophobicContact CZ2-CD 4.49Å; W215-K219 HydrophobicContact CZ3-CB 4.07Å; W215-K219 VanDerWaalsContact O-CB 3.3Å; W215-K219 WeakPolarHBondContact O-CB 3.48Å; W215-K219 WeakPolarHBondContact O-CD 3.17Å; W215-K219 VanDerWaalsContact O-CG 3.27Å; W215-K219 WeakPolarHBondContact O-CG 3.43Å; W215-K219 PolarHBondContact O-N 2.95Å; S216-K219 WeakPolarHBondContact O-CG 3.07Å
220	V	70.9	Confident	81.4	Confident	111 Å²	111	60.2 Å²	60.2	67%	0.673	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-7.9	-178.1	-61.8	0	0	0	0	113.7	R217 V218	R217-V220 WeakPolarHBondContact O-CG2 3.38Å; V218-V220 VanDerWaalsContact C-N 3.25Å; V218-V220 PolarHBondContact O-N 2.6Å
221	L	71.6	Confident	81.3	Confident	40 Å²	40	63.6 Å²	63.6	21%	0.209	30%	0.301	C	S	.	.	S	Bend	trans	-66.2	166.6	171.3	-59.1	177.1	0	0	0	111.2	K177 N180 W184 V218 W223	K177-L221 HydrophobicContact CB-CD1 4.39Å; K177-L221 HydrophobicContact CG-CD1 4.17Å; N180-L221 HydrophobicContact CB-CD1 4.43Å; W184-L221 HydrophobicContact CH2-CD1 3.97Å; W184-L221 HydrophobicContact CH2-CD2 3.98Å; W184-L221 HydrophobicContact CH2-CG 4.15Å; W184-L221 HydrophobicContact CZ3-CD1 3.81Å; W184-L221 HydrophobicContact CZ3-CG 4.29Å; V218-L221 PolarHBondContact O-N 3.26Å; L221-W223 HydrophobicContact CB-CZ2 4.31Å; L221-W223 HydrophobicContact CD1-CZ2 4.3Å; L221-W223 PolarHBondContact O-N 3.44Å
222	T	75.9	Confident	81.2	Confident	116 Å²	116	65.5 Å²	65.5	71%	0.712	31%	0.31	S	S	*	.			trans	-75	86.7	-174.4	48.1	0	0	0	0	113	K177	K177-T222 VanDerWaalsContact CE-O 3.26Å; K177-T222 WeakPolarHBondContact CE-O 3.46Å; K177-T222 PolarHBondContact NZ-O 3.11Å
223	W	80.1	Confident	80.9	Confident	41 Å²	41	65.9 Å²	65.9	16%	0.155	31%	0.314	C	S	.	.			trans	-104	140.7	-179.6	-56.2	100.4	0	0	0	113.3	I172 K177 I181 V218 L221 I226	I172-W223 HydrophobicContact CG1-CH2 3.85Å; I172-W223 HydrophobicContact CG1-CZ3 3.62Å; K177-W223 HydrophobicContact CD-CE3 4.41Å; K177-W223 HydrophobicContact CD-CH2 3.88Å; K177-W223 HydrophobicContact CD-CZ2 4.09Å; K177-W223 HydrophobicContact CD-CZ3 4.05Å; I181-W223 HydrophobicContact CD1-CH2 4.32Å; V218-W223 HydrophobicContact CG1-CZ2 3.86Å; V218-W223 PolarHBondContact O-NE1 3.43Å; L221-W223 HydrophobicContact CB-CZ2 4.31Å; L221-W223 HydrophobicContact CD1-CZ2 4.3Å; L221-W223 PolarHBondContact O-N 3.44Å; W223-I226 HydrophobicContact CB-CB 3.96Å; W223-I226 HydrophobicContact CB-CG2 3.87Å; W223-I226 VanDerWaalsContact CD1-CG2 3.48Å; W223-I226 HydrophobicContact CD2-CB 3.99Å; W223-I226 HydrophobicContact CD2-CD1 3.7Å; W223-I226 HydrophobicContact CD2-CG1 4.36Å; W223-I226 HydrophobicContact CD2-CG2 4.34Å; W223-I226 HydrophobicContact CE3-CB 4.48Å; W223-I226 HydrophobicContact CE3-CD1 4.2Å; W223-I226 HydrophobicContact CG-CB 3.71Å; W223-I226 HydrophobicContact CG-CD1 4.12Å; W223-I226 HydrophobicContact CG-CG2 3.63Å; W223-I226 HydrophobicContact CH2-CD1 4.17Å; W223-I226 HydrophobicContact CZ2-CD1 3.68Å; W223-I226 HydrophobicContact CZ3-CD1 4.4Å
224	K	65.1	Low	80.7	Confident	166 Å²	166	65.1 Å²	65.1	72%	0.722	31%	0.311	S	S	*	.	S	Bend	trans	-69.6	-36.4	164.3	-176.7	168.7	179.4	179.3	0	111.8	H170	H170-K224 HydrophobicContact CB-CB 4.26Å
225	K	73.1	Confident	80	Confident	111 Å²	111	68.7 Å²	68.7	48%	0.483	33%	0.334	S	S	.	.	S	Bend	trans	-160.5	132.5	172	-170.3	177.1	-172.9	178.6	0	108.1	S169 H170 M227	S169-K225 CarbonylContact C-O 3.59Å; S169-K225 VanDerWaalsContact CA-O 3.25Å; S169-K225 WeakPolarHBondContact CA-O 3.26Å; H170-K225 HydrophobicContact CB-CB 4.15Å; H170-K225 PolarHBondContact N-O 3.47Å; K225-M227 HydrophobicContact CD-CE 4.14Å; K225-M227 VanDerWaalsContact CE-CE 3.44Å
226	I	86.1	Confident	78.9	Confident	35 Å²	35	68.3 Å²	68.3	18%	0.179	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141.3	169.9	-167.4	167.1	0	0	0	109.4	I167 Y168 W215 V218 W223	I167-I226 HydrophobicContact CG2-CD1 3.89Å; I167-I226 HydrophobicContact CG2-CG1 3.73Å; Y168-I226 CarbonylContact O-C 3.55Å; Y168-I226 VanDerWaalsContact O-CA 3.31Å; Y168-I226 WeakPolarHBondContact O-CA 3.41Å; W215-I226 HydrophobicContact CH2-CD1 4.35Å; W215-I226 HydrophobicContact CH2-CG1 3.93Å; W215-I226 HydrophobicContact CH2-CG2 4.23Å; W215-I226 HydrophobicContact CZ3-CD1 3.85Å; W215-I226 HydrophobicContact CZ3-CG1 3.84Å; V218-I226 HydrophobicContact CG1-CD1 3.74Å; W223-I226 HydrophobicContact CB-CB 3.96Å; W223-I226 HydrophobicContact CB-CG2 3.87Å; W223-I226 VanDerWaalsContact CD1-CG2 3.48Å; W223-I226 HydrophobicContact CD2-CB 3.99Å; W223-I226 HydrophobicContact CD2-CD1 3.7Å; W223-I226 HydrophobicContact CD2-CG1 4.36Å; W223-I226 HydrophobicContact CD2-CG2 4.34Å; W223-I226 HydrophobicContact CE3-CB 4.48Å; W223-I226 HydrophobicContact CE3-CD1 4.2Å; W223-I226 HydrophobicContact CG-CB 3.71Å; W223-I226 HydrophobicContact CG-CD1 4.12Å; W223-I226 HydrophobicContact CG-CG2 3.63Å; W223-I226 HydrophobicContact CH2-CD1 4.17Å; W223-I226 HydrophobicContact CZ2-CD1 3.68Å; W223-I226 HydrophobicContact CZ3-CD1 4.4Å
227	M	75.4	Confident	77.8	Confident	41 Å²	41	71.7 Å²	71.7	20%	0.202	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	150.7	178.5	58.9	-167.9	154.2	0	0	110.9	I167 Y168 K225 R229	I167-M227 WeakPolarHBondContact CA-O 3.42Å; Y168-M227 HydrophobicContact CD1-CE 3.41Å; Y168-M227 VanDerWaalsContact CD1-CE 3.41Å; Y168-M227 HydrophobicContact CE1-CE 3.96Å; Y168-M227 HydrophobicContact CG-CE 4.14Å; Y168-M227 PolarHBondContact N-O 3.02Å; Y168-M227 PolarHBondContact O-N 3.49Å; K225-M227 HydrophobicContact CD-CE 4.14Å; K225-M227 VanDerWaalsContact CE-CE 3.44Å; M227-R229 VanDerWaalsContact CE-NE 3.27Å; M227-R229 VanDerWaalsContact CE-NH2 3.35Å; M227-R229 HydrophobicContact CG-CG 4.49Å; M227-R229 PolarHBondContact O-N 3.13Å
228	I	85	Confident	76.5	Confident	54 Å²	54	79.5 Å²	79.5	28%	0.277	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.4	163	-60.4	170.6	0	0	0	107.1	L165 I167 W215 H230 R231	L165-I228 HydrophobicContact CD1-CD1 4.35Å; L165-I228 HydrophobicContact CD2-CD1 4.34Å; I167-I228 HydrophobicContact CG1-CG1 4.18Å; W215-I228 HydrophobicContact CD2-CD1 3.86Å; W215-I228 HydrophobicContact CD2-CG1 3.97Å; W215-I228 HydrophobicContact CE3-CG1 4.23Å; W215-I228 HydrophobicContact CG-CD1 3.91Å; W215-I228 HydrophobicContact CH2-CG1 4.25Å; W215-I228 HydrophobicContact CZ2-CD1 4.3Å; W215-I228 HydrophobicContact CZ2-CG1 3.98Å; W215-I228 HydrophobicContact CZ3-CG1 4.37Å; I228-H230 WeakPolarHBondContact CG2-O 3.28Å; I228-R231 HydrophobicContact CG2-CB 4.38Å
229	R	82.2	Confident	74.8	Confident	102 Å²	102	86.6 Å²	86.6	39%	0.385	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-38.6	174.7	-76.3	-63.7	-156	176.5	8.3	112.1	W166 Y168 M227 I293 Y294	W166-R229 PolarHBondContact O-N 2.98Å; Y168-R229 VanDerWaalsContact CB-CG 3.42Å; Y168-R229 HydrophobicContact CG-CG 4.32Å; M227-R229 VanDerWaalsContact CE-NE 3.27Å; M227-R229 VanDerWaalsContact CE-NH2 3.35Å; M227-R229 HydrophobicContact CG-CG 4.49Å; M227-R229 PolarHBondContact O-N 3.13Å; R229-I293 HydrophobicContact CB-CG2 4.39Å; R229-Y294 HydrophobicContact CB-CD1 4.04Å; R229-Y294 HydrophobicContact CB-CE1 3.92Å; R229-Y294 HydrophobicContact CG-CD1 3.76Å; R229-Y294 HydrophobicContact CG-CE1 3.89Å
230	H	82.8	Confident	73.1	Confident	60 Å²	60	85.6 Å²	85.6	28%	0.278	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.6	179.5	-168	56	0	0	0	110.5	W166 I228 E232 I293	W166-H230 HydrophobicContact CB-CB 3.88Å; W166-H230 WeakPolarHBondContact CB-O 3.43Å; W166-H230 AromaticContact CD1-CD2 3.59Å; W166-H230 HydrophobicContact CG-CB 4.11Å; W166-H230 PolarHBondContact N-O 3.16Å; W166-H230 AromaticContact NE1-CD2 3.91Å; W166-H230 PolarHBondContact O-N 3.35Å; I228-H230 WeakPolarHBondContact CG2-O 3.28Å; H230-E232 WeakPolarHBondContact NE2-CG 3.44Å; H230-I293 HydrophobicContact CB-CD1 4.22Å; H230-I293 HydrophobicContact CB-CG2 4.01Å
231	R	85.4	Confident	71.6	Confident	84 Å²	84	87 Å²	87	32%	0.317	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	129.2	178.2	173.3	177.3	-172.7	152.1	19.3	108.1	R164 L165 E212 I228 D233	R164-R231 WeakPolarHBondContact O-CA 3.19Å; L165-R231 HydrophobicContact CD2-CB 4.18Å; L165-R231 HydrophobicContact CD2-CG 3.8Å; E212-R231 IonicContact OE1-CZ 2.91Å; E212-R231 IonicContact OE1-NH1 3.04Å; E212-R231 PolarHBondContact OE1-NH1 3.36Å; E212-R231 IonicContact OE1-NH2 2.66Å; E212-R231 PolarHBondContact OE1-NH2 3.47Å; I228-R231 HydrophobicContact CG2-CB 4.38Å; R231-D233 IonicContact CZ-OD1 2.61Å; R231-D233 IonicContact CZ-OD2 2.81Å; R231-D233 VanDerWaalsContact CZ-OD2 3.31Å; R231-D233 IonicContact NE-OD1 2.88Å; R231-D233 PolarHBondContact NE-OD1 3.04Å; R231-D233 IonicContact NE-OD2 3.52Å; R231-D233 PolarHBondContact NE-OD2 3.23Å; R231-D233 IonicContact NH2-OD1 3.72Å; R231-D233 PolarHBondContact NH2-OD1 2.71Å; R231-D233 IonicContact NH2-OD2 2.79Å
232	E	82.8	Confident	70.4	Confident	41 Å²	41	92.6 Å²	92.6	19%	0.192	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126	170.4	-56.8	170.1	-125.3	0	0	107.7	S163 R164 W166 H230	S163-E232 CarbonylContact C-O 3.49Å; S163-E232 VanDerWaalsContact CA-O 3.23Å; S163-E232 WeakPolarHBondContact CA-O 3.4Å; S163-E232 PolarHBondContact OG-O 3.41Å; R164-E232 HydrophobicContact CB-CB 4.21Å; R164-E232 WeakPolarHBondContact CD-OE1 3.33Å; R164-E232 IonicContact CZ-OE1 3.47Å; R164-E232 IonicContact CZ-OE2 2.89Å; R164-E232 PolarHBondContact N-O 3.33Å; R164-E232 IonicContact NH1-OE1 3.87Å; R164-E232 PolarHBondContact NH1-OE1 3.31Å; R164-E232 IonicContact NH1-OE2 2.93Å; R164-E232 PolarHBondContact NH1-OE2 3.45Å; R164-E232 PolarHBondContact O-N 2.65Å; W166-E232 PolarHBondContact NE1-OE1 2.98Å; H230-E232 WeakPolarHBondContact NE2-CG 3.44Å
233	D	82.4	Confident	68.6	Low	75 Å²	75	92.1 Å²	92.1	40%	0.401	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.1	173.1	-70.2	-22.3	0	0	0	108.7	V161 F162 S163 R231	V161-D233 HydrophobicContact CG1-CB 4.13Å; F162-D233 WeakPolarHBondContact O-CA 3.43Å; S163-D233 WeakPolarHBondContact CB-OD1 3.39Å; S163-D233 PolarHBondContact OG-OD1 2.99Å; R231-D233 IonicContact CZ-OD1 2.61Å; R231-D233 IonicContact CZ-OD2 2.81Å; R231-D233 VanDerWaalsContact CZ-OD2 3.31Å; R231-D233 IonicContact NE-OD1 2.88Å; R231-D233 PolarHBondContact NE-OD1 3.04Å; R231-D233 IonicContact NE-OD2 3.52Å; R231-D233 PolarHBondContact NE-OD2 3.23Å; R231-D233 IonicContact NH2-OD1 3.72Å; R231-D233 PolarHBondContact NH2-OD1 2.71Å; R231-D233 IonicContact NH2-OD2 2.79Å
234	I	80.7	Confident	66.8	Low	58 Å²	58	98.1 Å²	98.1	30%	0.297	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.3	-175.7	-55.2	168.3	0	0	0	108	V161 F162 L252	V161-I234 WeakPolarHBondContact CA-O 3.36Å; F162-I234 HydrophobicContact CB-CB 4.4Å; F162-I234 HydrophobicContact CD1-CD1 4.28Å; F162-I234 PolarHBondContact N-O 3.37Å; F162-I234 PolarHBondContact O-N 2.85Å; I234-L252 HydrophobicContact CB-CD1 4.3Å; I234-L252 HydrophobicContact CD1-CD1 4.48Å; I234-L252 HydrophobicContact CD1-CD2 4.11Å; I234-L252 HydrophobicContact CG2-CD1 3.93Å; I234-L252 HydrophobicContact CG2-CD2 4.23Å
235	T	78.9	Confident	65.7	Low	76 Å²	76	95.8 Å²	95.8	47%	0.466	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.7	179	54.8	0	0	0	0	110.7	V161 N237	V161-T235 HydrophobicContact CG2-CG2 4.14Å; T235-N237 PolarHBondContact O-N 3.41Å
236	L	67.8	Low	64.4	Low	27 Å²	27	97 Å²	97	14%	0.141	52%	0.517	C	S	.	.			trans	-77.9	106.4	172.6	-64.7	173.6	0	0	0	109.6	E160 R238 L249 L252	E160-L236 HydrophobicContact CB-CD1 3.99Å; E160-L236 WeakPolarHBondContact O-CB 3.23Å; E160-L236 PolarHBondContact O-N 2.73Å; L236-R238 PolarHBondContact O-N 2.87Å; L236-L249 HydrophobicContact CD1-CD2 3.54Å; L236-L249 HydrophobicContact CD1-CG 3.9Å; L236-L252 HydrophobicContact CD2-CD1 3.83Å
237	N	57.6	Low	62.7	Low	109 Å²	109	101.5 Å²	101.5	58%	0.583	54%	0.537	S	S	*	.			trans	-85.1	105.9	175.5	-75.2	-31.6	0	0	0	109.8	T235 Q239	T235-N237 PolarHBondContact O-N 3.41Å; N237-Q239 VanDerWaalsContact C-N 3.3Å; N237-Q239 PolarHBondContact O-N 3.03Å; N237-Q239 VanDerWaalsContact O-N 3.08Å
238	R	56	Low	61.9	Low	220 Å²	220	101.9 Å²	101.9	83%	0.83	54%	0.544	S	S	*	.			trans	-81.7	76.8	168.3	-162.3	179.8	-169.4	168.4	3.5	109.5	L236	L236-R238 PolarHBondContact O-N 2.87Å
239	Q	46.5	Very low	60.7	Low	149 Å²	149	101.8 Å²	101.8	70%	0.696	54%	0.544	S	S	*	.			trans	-127.1	124.9	164.1	-93.8	-179.6	16.4	0	0	110.8	N237	N237-Q239 VanDerWaalsContact C-N 3.3Å; N237-Q239 PolarHBondContact O-N 3.03Å; N237-Q239 VanDerWaalsContact O-N 3.08Å
240	G	48.7	Very low	59.9	Low	81 Å²	81	103 Å²	103	84%	0.835	56%	0.558	S	S	*	*			trans	-74.4	132.4	-176.2	0	0	0	0	0	111.9
241	D	39.4	Very low	59.5	Low	142 Å²	142	103.7 Å²	103.7	76%	0.759	57%	0.57	S	S	*	*				-155	152.5	127.7	-145.6	-18.2	0	0	0	108.6	S243	D241-S243 PolarHBondContact O-N 2.85Å
242	N	45.5	Very low	59.2	Low	157 Å²	157	101 Å²	101	84%	0.84	56%	0.561	S	S	*	*	S	Bend	trans	-42	85.8	-169.9	-64.5	-65.3	0	0	0	117.8
243	S	39.3	Very low	59.2	Low	105 Å²	105	101.7 Å²	101.7	73%	0.734	56%	0.564	S	S	*	*			trans	-155.2	136.1	149.8	84	0	0	0	0	112.3	D241 T245	D241-S243 PolarHBondContact O-N 2.85Å; S243-T245 PolarHBondContact O-N 3.42Å
244	N	42.5	Very low	59.3	Low	167 Å²	167	101.5 Å²	101.5	89%	0.893	56%	0.56	S	S	*	*	S	Bend	trans	-61.3	94.4	-179.7	-75.5	-30.4	0	0	0	112.6
245	T	41.3	Very low	59.6	Low	117 Å²	117	99 Å²	99	72%	0.718	55%	0.547	S	S	*	.			trans	-170.9	105.7	139.4	17.5	0	0	0	0	107.6	S243 E247	S243-T245 PolarHBondContact O-N 3.42Å; T245-E247 PolarHBondContact O-N 2.92Å
246	V	45.3	Very low	59.9	Low	137 Å²	137	101.5 Å²	101.5	83%	0.83	56%	0.562	S	S	*	*			trans	-63.5	106.7	158.1	-178.4	0	0	0	0	104.2	S248	V246-S248 PolarHBondContact O-N 3.03Å
247	E	50.6	Low	60.9	Low	129 Å²	129	102.3 Å²	102.3	60%	0.603	58%	0.577	S	S	*	*			trans	-62.4	82.5	165.3	-71.5	-176.8	158.9	0	0	106.3	T245	T245-E247 PolarHBondContact O-N 2.92Å
248	S	59.1	Low	62.6	Low	50 Å²	50	98.8 Å²	98.8	35%	0.35	56%	0.557	S	S	.	*			trans	-65.2	150.7	174.7	70.9	0	0	0	0	107.6	V246 D250 S251	V246-S248 PolarHBondContact O-N 3.03Å; S248-D250 PolarHBondContact O-N 3.39Å; S248-S251 WeakPolarHBondContact O-CB 3.19Å; S248-S251 PolarHBondContact O-N 3.38Å; S248-S251 PolarHBondContact O-OG 3.34Å
249	L	61	Low	64.3	Low	52 Å²	52	93 Å²	93	27%	0.272	54%	0.539	S	S	.	.	H	α-helix	trans	-46.2	-38.1	174	-73	160.3	0	0	0	111.2	F162 L236 S251 L252 H253	F162-L249 HydrophobicContact CB-CD2 4.26Å; F162-L249 HydrophobicContact CD2-CD2 3.9Å; L236-L249 HydrophobicContact CD1-CD2 3.54Å; L236-L249 HydrophobicContact CD1-CG 3.9Å; L249-S251 PolarHBondContact O-N 3.3Å; L249-L252 WeakPolarHBondContact O-CB 3.33Å; L249-L252 PolarHBondContact O-N 2.97Å; L249-H253 PolarHBondContact O-CD2 3.06Å; L249-H253 PolarHBondContact O-N 3.47Å
250	D	64.8	Low	66.4	Low	127 Å²	127	87.9 Å²	87.9	68%	0.679	52%	0.515	S	S	*	.	H	α-helix	trans	-56	-30.2	176.6	-56.1	-28.1	0	0	0	114.3	S248 L252 H253	S248-D250 PolarHBondContact O-N 3.39Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-H253 PolarHBondContact O-N 2.87Å
251	S	74.6	Confident	68.3	Low	75 Å²	75	84.5 Å²	84.5	52%	0.524	48%	0.479	S	S	.	.	H	α-helix	trans	-75.2	-19	177.9	67	0	0	0	0	113.7	S248 L249	S248-S251 WeakPolarHBondContact O-CB 3.19Å; S248-S251 PolarHBondContact O-N 3.38Å; S248-S251 PolarHBondContact O-OG 3.34Å; L249-S251 PolarHBondContact O-N 3.3Å
252	L	78.8	Confident	70.2	Confident	28 Å²	28	84.7 Å²	84.7	15%	0.147	48%	0.477	C	S	.	.	H	α-helix	trans	-89.1	-17.6	176.5	-62.1	178.7	0	0	0	112.7	F162 R164 I234 L236 L249 D250 K254	F162-L252 HydrophobicContact CB-CD1 3.59Å; F162-L252 HydrophobicContact CD1-CB 3.93Å; F162-L252 HydrophobicContact CD1-CD1 4.22Å; F162-L252 HydrophobicContact CD2-CB 4.11Å; F162-L252 HydrophobicContact CD2-CD1 4.32Å; F162-L252 HydrophobicContact CE1-CB 3.97Å; F162-L252 HydrophobicContact CE2-CB 4.14Å; F162-L252 HydrophobicContact CG-CB 3.99Å; F162-L252 HydrophobicContact CG-CD1 3.81Å; F162-L252 HydrophobicContact CZ-CB 4.07Å; R164-L252 PolarHBondContact NH2-O 3.31Å; R164-L252 VanDerWaalsContact NH2-O 3.08Å; I234-L252 HydrophobicContact CB-CD1 4.3Å; I234-L252 HydrophobicContact CD1-CD1 4.48Å; I234-L252 HydrophobicContact CD1-CD2 4.11Å; I234-L252 HydrophobicContact CG2-CD1 3.93Å; I234-L252 HydrophobicContact CG2-CD2 4.23Å; L236-L252 HydrophobicContact CD2-CD1 3.83Å; L249-L252 WeakPolarHBondContact O-CB 3.33Å; L249-L252 PolarHBondContact O-N 2.97Å; D250-L252 VanDerWaalsContact C-N 3.31Å; L252-K254 PolarHBondContact O-N 3.06Å
253	H	82.6	Confident	71.9	Confident	54 Å²	54	78.2 Å²	78.2	25%	0.25	44%	0.441	C	S	.	.			trans	-67.2	119.2	175.3	-79.2	-90.2	0	0	0	110.5	F162 S191 E205 L249 D250	F162-H253 AromaticContact CE2-CD2 3.67Å; F162-H253 AromaticContact CE2-CE1 3.88Å; F162-H253 AromaticContact CE2-NE2 3.54Å; S191-H253 PolarHBondContact OG-CE1 3.48Å; S191-H253 VanDerWaalsContact OG-CE1 3.24Å; S191-H253 PolarHBondContact OG-ND1 3.36Å; E205-H253 VanDerWaalsContact OE1-CA 3.29Å; E205-H253 WeakPolarHBondContact OE1-CA 3.39Å; E205-H253 IonicContact OE1-ND1 3.54Å; L249-H253 PolarHBondContact O-CD2 3.06Å; L249-H253 PolarHBondContact O-N 3.47Å; D250-H253 PolarHBondContact O-N 2.87Å
254	K	84.6	Confident	73.3	Confident	72 Å²	72	77.9 Å²	77.9	31%	0.313	43%	0.432	S	S	.	.	S	Bend	trans	-89.4	-19.5	169.7	-69.2	-173.9	-177.9	-173.8	0	112	R164 E205 L252 K285 G286 C287	R164-K254 VanDerWaalsContact NH1-CE 3.27Å; E205-K254 PolarHBondContact OE1-N 2.7Å; E205-K254 PolarHBondContact OE2-N 3.2Å; L252-K254 PolarHBondContact O-N 3.06Å; K254-K285 WeakPolarHBondContact CD-O 3.45Å; K254-G286 PolarHBondContact NZ-O 3.33Å; K254-C287 WeakPolarHBondContact CD-SG 3.18Å; K254-C287 PolarHBondContact NZ-SG 3.11Å
255	F	87.8	Confident	74.3	Confident	5 Å²	5	73.7 Å²	73.7	2%	0.022	41%	0.413	C	S	.	.	S	Bend	trans	-116.9	135.7	-178.9	-56.7	-82.2	0	0	0	110.9	W166 S191 F193 E205 G257 F281 K285	W166-F255 HydrophobicContact CH2-CE2 4.21Å; W166-F255 HydrophobicContact CH2-CZ 4.04Å; S191-F255 WeakPolarHBondContact CB-O 3.37Å; S191-F255 PolarHBondContact OG-O 3.16Å; F193-F255 HydrophobicContact CD1-CD1 4.07Å; F193-F255 AromaticContact CD1-CE1 3.48Å; F193-F255 HydrophobicContact CD1-CE1 3.48Å; F193-F255 VanDerWaalsContact CD1-CE1 3.48Å; F193-F255 HydrophobicContact CD1-CE2 4.41Å; F193-F255 AromaticContact CD1-CZ 3.69Å; F193-F255 HydrophobicContact CD1-CZ 3.69Å; F193-F255 AromaticContact CE1-CE1 3.78Å; F193-F255 HydrophobicContact CE1-CE1 3.78Å; F193-F255 HydrophobicContact CE1-CE2 4.45Å; F193-F255 AromaticContact CE1-CZ 3.61Å; F193-F255 HydrophobicContact CE1-CZ 3.61Å; E205-F255 HydrophobicContact CG-CD2 4.36Å; E205-F255 WeakPolarHBondContact OE1-CD2 3.15Å; E205-F255 PolarHBondContact OE1-N 3.21Å; F255-G257 PolarHBondContact O-N 3.33Å; F255-F281 HydrophobicContact CD1-CZ 4.27Å; F255-F281 AromaticContact CE1-CE1 3.81Å; F255-F281 HydrophobicContact CE1-CE1 3.81Å; F255-F281 AromaticContact CE1-CZ 3.87Å; F255-F281 HydrophobicContact CE1-CZ 3.87Å; F255-K285 HydrophobicContact CD1-CD 4.43Å; F255-K285 HydrophobicContact CD1-CG 4.3Å; F255-K285 HydrophobicContact CE1-CB 4.16Å; F255-K285 HydrophobicContact CE1-CD 4.45Å; F255-K285 HydrophobicContact CE1-CG 3.84Å; F255-K285 HydrophobicContact CZ-CB 4.4Å
256	T	85.1	Confident	75.2	Confident	129 Å²	129	73.1 Å²	73.1	79%	0.791	40%	0.402	S	S	*	.	S	Bend	trans	-92.5	101.3	176	50.3	0	0	0	0	109.4
257	G	88.6	Confident	75.6	Confident	43 Å²	43	69.3 Å²	69.3	44%	0.443	39%	0.391	S	S	.	.	S	Bend	trans	69.8	-170.1	-173.6	0	0	0	0	0	112.6	S191 G192 F255	S191-G257 CarbonylContact C-O 3.46Å; S191-G257 WeakPolarHBondContact CA-O 3.21Å; S191-G257 WeakPolarHBondContact CB-O 3.49Å; G192-G257 PolarHBondContact N-O 3.44Å; F255-G257 PolarHBondContact O-N 3.33Å
258	F	93.6	Very high	75.5	Confident	36 Å²	36	71.8 Å²	71.8	16%	0.158	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.9	-179.9	-170.5	-81.2	0	0	0	110.9	I181 L182 S185 G192 V202 C203 V204	I181-F258 HydrophobicContact CG2-CE1 3.73Å; I181-F258 HydrophobicContact CG2-CZ 3.53Å; L182-F258 HydrophobicContact CD2-CD1 3.82Å; L182-F258 HydrophobicContact CD2-CE1 3.86Å; S185-F258 VanDerWaalsContact CB-CD2 3.5Å; S185-F258 WeakPolarHBondContact OG-CD2 3.42Å; S185-F258 WeakPolarHBondContact OG-CE2 3.46Å; S185-F258 WeakPolarHBondContact OG-CG 3.15Å; S185-F258 WeakPolarHBondContact OG-CZ 3.38Å; G192-F258 WeakPolarHBondContact O-CA 3.39Å; V202-F258 HydrophobicContact CG1-CE2 4.45Å; V202-F258 HydrophobicContact CG1-CZ 4.25Å; C203-F258 WeakPolarHBondContact O-CE2 3.38Å; V204-F258 HydrophobicContact CG1-CD2 4.07Å; V204-F258 HydrophobicContact CG1-CE2 3.55Å
259	E	91.5	Very high	75.4	Confident	97 Å²	97	79.7 Å²	79.7	45%	0.453	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.8	-176.4	65.8	-175.9	175.4	0	0	114	G192 F193 S194	G192-E259 PolarHBondContact O-N 3.03Å; F193-E259 CarbonylContact C-O 3.45Å; F193-E259 WeakPolarHBondContact CA-O 3.46Å; F193-E259 HydrophobicContact CB-CG 4.45Å; F193-E259 WeakPolarHBondContact CB-O 3.31Å; S194-E259 PolarHBondContact N-O 3Å
260	E	90.9	Very high	75.4	Confident	43 Å²	43	78.9 Å²	78.9	20%	0.201	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.1	171.6	-165.8	172.9	60.1	0	0	109.7	R178 L182 S194 P196 M262	R178-E260 WeakPolarHBondContact CB-OE2 3.46Å; R178-E260 WeakPolarHBondContact CG-OE2 3.3Å; R178-E260 IonicContact CZ-OE1 3.42Å; R178-E260 IonicContact CZ-OE2 3.41Å; R178-E260 IonicContact NE-OE1 3.16Å; R178-E260 PolarHBondContact NE-OE1 3.46Å; R178-E260 IonicContact NE-OE2 2.65Å; R178-E260 PolarHBondContact NE-OE2 3.07Å; R178-E260 VanDerWaalsContact NH2-CD 3.32Å; R178-E260 IonicContact NH2-OE1 3.96Å; R178-E260 PolarHBondContact NH2-OE1 3.2Å; R178-E260 IonicContact NH2-OE2 3.48Å; R178-E260 PolarHBondContact NH2-OE2 3.27Å; L182-E260 HydrophobicContact CD1-CB 4.47Å; L182-E260 HydrophobicContact CD2-CB 4.22Å; S194-E260 CarbonylContact O-C 3.56Å; S194-E260 VanDerWaalsContact O-CA 3.31Å; S194-E260 WeakPolarHBondContact O-CA 3.5Å; S194-E260 WeakPolarHBondContact O-CG 3.17Å; P196-E260 HydrophobicContact CG-CG 3.95Å; E260-M262 PolarHBondContact O-N 3.13Å
261	A	87.4	Confident	75.1	Confident	9 Å²	9	76 Å²	76	7%	0.074	42%	0.42	C	S	.	.			trans	-73.9	112.1	-178.7	0	0	0	0	0	110.4	F193 S194 F263	F193-A261 HydrophobicContact CB-CB 4.48Å; F193-A261 HydrophobicContact CD2-CB 4.07Å; S194-A261 PolarHBondContact O-N 2.74Å; A261-F263 HydrophobicContact CB-CE2 3.9Å; A261-F263 HydrophobicContact CB-CZ 3.84Å
262	M	80.3	Confident	74.7	Confident	146 Å²	146	76.7 Å²	76.7	72%	0.719	42%	0.415	S	S	*	.			trans	-105.3	101.3	175.9	-65.3	-170.4	-65.7	0	0	110.3	E260 M273	E260-M262 PolarHBondContact O-N 3.13Å; M262-M273 HydrophobicContact CB-CE 4.48Å
263	F	79.4	Confident	74.5	Confident	21 Å²	21	76.6 Å²	76.6	9%	0.092	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-87.1	159.8	168.7	-51.9	-64.6	0	0	0	111.8	M195 A261 P265 M273 Q277 L278 F281	M195-F263 HydrophobicContact CB-CE2 4.3Å; M195-F263 HydrophobicContact CG-CD2 3.72Å; M195-F263 HydrophobicContact CG-CE2 3.72Å; M195-F263 HydrophobicContact SD-CD2 3.43Å; M195-F263 WeakPolarHBondContact SD-CD2 3.43Å; M195-F263 HydrophobicContact SD-CE2 3.48Å; M195-F263 WeakPolarHBondContact SD-CE2 3.26Å; A261-F263 HydrophobicContact CB-CE2 3.9Å; A261-F263 HydrophobicContact CB-CZ 3.84Å; F263-P265 WeakPolarHBondContact O-CD 3.35Å; F263-M273 HydrophobicContact CB-CB 4.31Å; F263-M273 HydrophobicContact CB-CE 4.07Å; F263-M273 HydrophobicContact CD2-CB 4.32Å; F263-M273 HydrophobicContact CD2-CE 4.42Å; F263-M273 WeakPolarHBondContact O-CE 3.39Å; F263-Q277 HydrophobicContact CB-CB 4.03Å; F263-Q277 HydrophobicContact CD1-CB 3.55Å; F263-Q277 HydrophobicContact CE1-CB 4.29Å; F263-Q277 HydrophobicContact CG-CB 3.96Å; F263-L278 HydrophobicContact CD2-CB 4.44Å; F263-L278 HydrophobicContact CE2-CB 4.05Å; F263-L278 HydrophobicContact CE2-CD1 3.85Å; F263-L278 HydrophobicContact CZ-CB 4.38Å; F263-L278 HydrophobicContact CZ-CD1 4.1Å; F263-F281 HydrophobicContact CE1-CB 3.82Å; F263-F281 HydrophobicContact CE1-CD2 4.48Å; F263-F281 HydrophobicContact CE1-CG 4.15Å; F263-F281 HydrophobicContact CZ-CB 3.85Å; F263-F281 HydrophobicContact CZ-CD1 4.13Å; F263-F281 HydrophobicContact CZ-CD2 4.45Å; F263-F281 AromaticContact CZ-CG 3.9Å; F263-F281 HydrophobicContact CZ-CG 3.9Å
264	D	68.8	Low	74.3	Confident	99 Å²	99	76.1 Å²	76.1	53%	0.529	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-61.3	122.3	-176.6	-69.2	-48	0	0	0	111.7	H266 D274 Q277	D264-H266 PolarHBondContact O-N 2.99Å; D264-H266 PolarHBondContact O-ND1 2.81Å; D264-D274 PolarHBondContact O-N 3.32Å; D264-Q277 VanDerWaalsContact N-OE1 3.09Å; D264-Q277 PolarHBondContact OD2-NE2 2.97Å
265	P	65.2	Low	74.1	Confident	79 Å²	79	75.8 Å²	75.8	51%	0.513	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.4	-176.9	24.3	-30.4	0	0	0	111.3	F263 G270	F263-P265 WeakPolarHBondContact O-CD 3.35Å; P265-G270 WeakPolarHBondContact CB-O 3.42Å
266	H	58.8	Low	73.8	Confident	104 Å²	104	77.2 Å²	77.2	48%	0.481	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	155.3	177	-76.9	67.6	0	0	0	112.2	D264 H272 D274	D264-H266 PolarHBondContact O-N 2.99Å; D264-H266 PolarHBondContact O-ND1 2.81Å; H266-H272 PolarHBondContact N-O 2.88Å; H266-H272 WeakPolarHBondContact O-CB 3.49Å; H266-D274 IonicContact CE1-OD2 3.56Å; H266-D274 IonicContact ND1-OD2 3.93Å
267	G	54.2	Low	73.7	Confident	58 Å²	58	73.3 Å²	73.3	60%	0.598	40%	0.403	S	S	*	.	S	Bend	trans	91	161.8	178.4	0	0	0	0	0	115.2	R269 G270	G267-R269 PolarHBondContact O-N 3.34Å; G267-G270 PolarHBondContact O-N 3.06Å
268	N	49.2	Very low	73.5	Confident	181 Å²	181	71.3 Å²	71.3	97%	0.968	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-12.4	-169.7	-88.9	9.9	0	0	0	117.3
269	R	57.1	Low	73.1	Confident	215 Å²	215	72.9 Å²	72.9	81%	0.811	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	4.5	-179.9	-64.5	-172	178	-179	-0.1	114	G267 N271	G267-R269 PolarHBondContact O-N 3.34Å; R269-N271 VanDerWaalsContact O-CG 3.27Å; R269-N271 PolarHBondContact O-N 3.28Å; R269-N271 PolarHBondContact O-ND2 3.46Å
270	G	59.6	Low	72.9	Confident	36 Å²	36	74 Å²	74	37%	0.371	39%	0.393	S	S	.	.	S	Bend	trans	60.7	23.7	179.7	0	0	0	0	0	115.2	P265 G267	P265-G270 WeakPolarHBondContact CB-O 3.42Å; G267-G270 PolarHBondContact O-N 3.06Å
271	N	59	Low	72.7	Confident	67 Å²	67	73.1 Å²	73.1	36%	0.358	39%	0.389	S	S	.	.			trans	-111.7	-2.8	-172.1	-70.4	-39.9	0	0	0	113.7	Y173 G197 K198 R269	Y173-N271 HydrophobicContact CE1-CB 3.95Å; G197-N271 WeakPolarHBondContact CA-O 3.39Å; K198-N271 PolarHBondContact N-O 2.93Å; K198-N271 VanDerWaalsContact N-O 3.13Å; R269-N271 VanDerWaalsContact O-CG 3.27Å; R269-N271 PolarHBondContact O-N 3.28Å; R269-N271 PolarHBondContact O-ND2 3.46Å
272	H	66.4	Low	72.6	Confident	89 Å²	89	72.8 Å²	72.8	41%	0.412	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.3	172.5	-62.8	81.1	0	0	0	107.5	K198 H266	K198-H272 PolarHBondContact O-CD2 3.17Å; K198-H272 VanDerWaalsContact O-CD2 3.31Å; H266-H272 PolarHBondContact N-O 2.88Å; H266-H272 WeakPolarHBondContact O-CB 3.49Å
273	M	75.1	Confident	72.8	Confident	25 Å²	25	70 Å²	70	12%	0.123	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	147.1	174	-55.7	-56.3	-90	0	0	108.8	M195 P196 M262 F263 L275	M195-M273 HydrophobicContact CE-CB 4.24Å; M195-M273 HydrophobicContact CG-CB 4.15Å; M195-M273 HydrophobicContact CG-CE 4.47Å; M195-M273 HydrophobicContact CG-CG 3.89Å; M195-M273 HydrophobicContact SD-CB 3.69Å; M195-M273 HydrophobicContact SD-CG 4.09Å; P196-M273 WeakPolarHBondContact O-CG 3.19Å; M262-M273 HydrophobicContact CB-CE 4.48Å; F263-M273 HydrophobicContact CB-CB 4.31Å; F263-M273 HydrophobicContact CB-CE 4.07Å; F263-M273 HydrophobicContact CD2-CB 4.32Å; F263-M273 HydrophobicContact CD2-CE 4.42Å; F263-M273 WeakPolarHBondContact O-CE 3.39Å; M273-L275 PolarHBondContact O-N 2.74Å; M273-L275 VanDerWaalsContact O-N 3.12Å
274	D	78.8	Confident	73.2	Confident	44 Å²	44	76.4 Å²	76.4	24%	0.235	40%	0.404	C	S	.	.			trans	-64	111.2	175.7	-169.5	-37.2	0	0	0	110.3	D264 H266 G276 Q277 L278	D264-D274 PolarHBondContact O-N 3.32Å; H266-D274 IonicContact CE1-OD2 3.56Å; H266-D274 IonicContact ND1-OD2 3.93Å; D274-G276 VanDerWaalsContact C-N 3.25Å; D274-G276 PolarHBondContact O-N 2.9Å; D274-G276 VanDerWaalsContact OD1-CA 3.27Å; D274-G276 WeakPolarHBondContact OD1-CA 3.2Å; D274-G276 PolarHBondContact OD1-N 3.39Å; D274-Q277 HydrophobicContact CB-CB 4.08Å; D274-Q277 HydrophobicContact CB-CG 3.84Å; D274-Q277 PolarHBondContact O-N 3.03Å; D274-Q277 PolarHBondContact OD1-N 3.37Å; D274-Q277 VanDerWaalsContact OD1-N 3.14Å; D274-L278 PolarHBondContact O-N 3.49Å; D274-L278 VanDerWaalsContact O-N 3.09Å
275	L	80.2	Confident	73.9	Confident	65 Å²	65	74.8 Å²	74.8	34%	0.34	39%	0.392	S	S	.	.	H	α-helix	trans	-69.1	-24.6	179.2	-63.7	-179	0	0	0	112.3	M273 L278 Y279 F291 F295	M273-L275 PolarHBondContact O-N 2.74Å; M273-L275 VanDerWaalsContact O-N 3.12Å; L275-L278 HydrophobicContact CD2-CD2 4.24Å; L275-L278 PolarHBondContact O-N 2.84Å; L275-Y279 PolarHBondContact O-N 3.31Å; L275-F291 HydrophobicContact CB-CE2 4.3Å; L275-F291 HydrophobicContact CB-CZ 4.19Å; L275-F291 VanDerWaalsContact O-CE2 3.28Å; L275-F291 WeakPolarHBondContact O-CE2 3.22Å; L275-F295 HydrophobicContact CD1-CE1 4.19Å; L275-F295 HydrophobicContact CD1-CZ 4.43Å; L275-F295 HydrophobicContact CD2-CE1 4.09Å; L275-F295 HydrophobicContact CD2-CE2 4.27Å; L275-F295 HydrophobicContact CD2-CZ 3.64Å
276	G	80.9	Confident	74.6	Confident	36 Å²	36	73.2 Å²	73.2	37%	0.371	39%	0.39	S	S	.	.	H	α-helix	trans	-68.5	-40.8	172.8	0	0	0	0	0	111.5	D274 Y279 Q280	D274-G276 VanDerWaalsContact C-N 3.25Å; D274-G276 PolarHBondContact O-N 2.9Å; D274-G276 VanDerWaalsContact OD1-CA 3.27Å; D274-G276 WeakPolarHBondContact OD1-CA 3.2Å; D274-G276 PolarHBondContact OD1-N 3.39Å; G276-Y279 WeakPolarHBondContact O-CB 3.36Å; G276-Y279 PolarHBondContact O-N 3.23Å; G276-Q280 WeakPolarHBondContact O-CG 3.27Å; G276-Q280 PolarHBondContact O-N 2.94Å
277	Q	83.4	Confident	75.7	Confident	47 Å²	47	68.2 Å²	68.2	22%	0.22	37%	0.367	C	S	.	.	H	α-helix	trans	-65.9	-38.7	172.1	-65	-174.1	17.1	0	0	111.8	F263 D264 D274 Y279 Q280 F281	F263-Q277 HydrophobicContact CB-CB 4.03Å; F263-Q277 HydrophobicContact CD1-CB 3.55Å; F263-Q277 HydrophobicContact CE1-CB 4.29Å; F263-Q277 HydrophobicContact CG-CB 3.96Å; D264-Q277 VanDerWaalsContact N-OE1 3.09Å; D264-Q277 PolarHBondContact OD2-NE2 2.97Å; D274-Q277 HydrophobicContact CB-CB 4.08Å; D274-Q277 HydrophobicContact CB-CG 3.84Å; D274-Q277 PolarHBondContact O-N 3.03Å; D274-Q277 PolarHBondContact OD1-N 3.37Å; D274-Q277 VanDerWaalsContact OD1-N 3.14Å; Q277-Y279 VanDerWaalsContact C-N 3.32Å; Q277-Y279 PolarHBondContact O-N 2.71Å; Q277-Q280 PolarHBondContact O-N 3.33Å; Q277-F281 WeakPolarHBondContact O-CB 3.24Å; Q277-F281 PolarHBondContact O-N 3.48Å
278	L	84.8	Confident	76.8	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-60.1	-42.2	171.4	176.1	65.9	0	0	0	111.5	F193 M195 I201 F263 D274 L275 F281 L282 F291 F295	F193-L278 HydrophobicContact CE2-CD1 4.08Å; F193-L278 HydrophobicContact CZ-CD1 4.31Å; M195-L278 HydrophobicContact CE-CD2 4.01Å; M195-L278 HydrophobicContact SD-CB 4.23Å; M195-L278 HydrophobicContact SD-CD1 4.1Å; M195-L278 HydrophobicContact SD-CD2 3.98Å; M195-L278 HydrophobicContact SD-CG 4.33Å; I201-L278 HydrophobicContact CG1-CD2 4.45Å; F263-L278 HydrophobicContact CD2-CB 4.44Å; F263-L278 HydrophobicContact CE2-CB 4.05Å; F263-L278 HydrophobicContact CE2-CD1 3.85Å; F263-L278 HydrophobicContact CZ-CB 4.38Å; F263-L278 HydrophobicContact CZ-CD1 4.1Å; D274-L278 PolarHBondContact O-N 3.49Å; D274-L278 VanDerWaalsContact O-N 3.09Å; L275-L278 HydrophobicContact CD2-CD2 4.24Å; L275-L278 PolarHBondContact O-N 2.84Å; L278-F281 PolarHBondContact O-N 3.45Å; L278-L282 HydrophobicContact CD1-CD1 4.27Å; L278-L282 HydrophobicContact CD1-CG 4.22Å; L278-L282 HydrophobicContact CG-CD1 4.16Å; L278-L282 HydrophobicContact CG-CG 4.49Å; L278-L282 WeakPolarHBondContact O-CB 3.45Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.47Å; L278-F291 HydrophobicContact CD2-CE2 4.38Å; L278-F295 HydrophobicContact CD2-CE2 4.08Å; L278-F295 HydrophobicContact CD2-CZ 4.32Å
279	Y	85.1	Confident	78	Confident	68 Å²	68	63 Å²	63	27%	0.267	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-45.8	176.9	179.1	-103.2	0	0	0	111.8	L275 G276 Q277 F281 L282 N283 C288 F291	L275-Y279 PolarHBondContact O-N 3.31Å; G276-Y279 WeakPolarHBondContact O-CB 3.36Å; G276-Y279 PolarHBondContact O-N 3.23Å; Q277-Y279 VanDerWaalsContact C-N 3.32Å; Q277-Y279 PolarHBondContact O-N 2.71Å; Y279-F281 PolarHBondContact O-N 3.49Å; Y279-L282 PolarHBondContact O-N 2.92Å; Y279-N283 WeakPolarHBondContact O-CB 3.37Å; Y279-N283 PolarHBondContact O-N 3.05Å; Y279-C288 HydrophobicContact CE2-CB 4.1Å; Y279-F291 HydrophobicContact CD2-CB 3.89Å; Y279-F291 AromaticContact CD2-CD1 3.96Å; Y279-F291 HydrophobicContact CD2-CD1 3.96Å; Y279-F291 HydrophobicContact CD2-CD2 4.05Å; Y279-F291 HydrophobicContact CD2-CE1 4.5Å; Y279-F291 AromaticContact CD2-CG 3.7Å; Y279-F291 HydrophobicContact CD2-CG 3.7Å; Y279-F291 HydrophobicContact CE2-CB 4.43Å
280	Q	85.6	Confident	79.2	Confident	122 Å²	122	52.8 Å²	52.8	57%	0.57	29%	0.29	S	S	*	.	H	α-helix	trans	-59.5	-46.7	175.7	-71.8	174.7	-0.4	0	0	111.4	G276 Q277 L282 N283 E284	G276-Q280 WeakPolarHBondContact O-CG 3.27Å; G276-Q280 PolarHBondContact O-N 2.94Å; Q277-Q280 PolarHBondContact O-N 3.33Å; Q280-L282 PolarHBondContact O-N 3.18Å; Q280-N283 WeakPolarHBondContact O-CB 3.4Å; Q280-N283 PolarHBondContact O-N 2.98Å; Q280-N283 VanDerWaalsContact O-N 3.13Å; Q280-E284 WeakPolarHBondContact O-CG 3.37Å; Q280-E284 PolarHBondContact O-N 3.19Å
281	F	86.4	Confident	80	Confident	24 Å²	24	52 Å²	52	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-46.6	175.6	173.9	-96.7	0	0	0	112.3	F193 F255 F263 Q277 L278 Y279 N283 E284 K285	F193-F281 HydrophobicContact CB-CZ 4.37Å; F193-F281 AromaticContact CD1-CE1 3.66Å; F193-F281 HydrophobicContact CD1-CE1 3.66Å; F193-F281 HydrophobicContact CD1-CZ 4.13Å; F193-F281 HydrophobicContact CD2-CE1 4.06Å; F193-F281 AromaticContact CE1-CE1 3.75Å; F193-F281 HydrophobicContact CE1-CE1 3.75Å; F193-F281 HydrophobicContact CE2-CE1 4.14Å; F193-F281 AromaticContact CG-CE1 3.83Å; F193-F281 HydrophobicContact CG-CE1 3.83Å; F193-F281 HydrophobicContact CG-CZ 4.12Å; F193-F281 AromaticContact CZ-CE1 3.99Å; F193-F281 HydrophobicContact CZ-CE1 3.99Å; F255-F281 HydrophobicContact CD1-CZ 4.27Å; F255-F281 AromaticContact CE1-CE1 3.81Å; F255-F281 HydrophobicContact CE1-CE1 3.81Å; F255-F281 AromaticContact CE1-CZ 3.87Å; F255-F281 HydrophobicContact CE1-CZ 3.87Å; F263-F281 HydrophobicContact CE1-CB 3.82Å; F263-F281 HydrophobicContact CE1-CD2 4.48Å; F263-F281 HydrophobicContact CE1-CG 4.15Å; F263-F281 HydrophobicContact CZ-CB 3.85Å; F263-F281 HydrophobicContact CZ-CD1 4.13Å; F263-F281 HydrophobicContact CZ-CD2 4.45Å; F263-F281 AromaticContact CZ-CG 3.9Å; F263-F281 HydrophobicContact CZ-CG 3.9Å; Q277-F281 WeakPolarHBondContact O-CB 3.24Å; Q277-F281 PolarHBondContact O-N 3.48Å; L278-F281 PolarHBondContact O-N 3.45Å; Y279-F281 PolarHBondContact O-N 3.49Å; F281-N283 VanDerWaalsContact C-N 3.31Å; F281-N283 PolarHBondContact O-N 3.13Å; F281-E284 PolarHBondContact O-N 2.73Å; F281-K285 VanDerWaalsContact O-CG 3.31Å; F281-K285 WeakPolarHBondContact O-CG 3.31Å; F281-K285 PolarHBondContact O-N 3.19Å
282	L	86	Confident	80.7	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-36.6	176.5	-71	175	0	0	0	112	W166 F193 L278 Y279 Q280 K285 G286 C287 F291	W166-L282 HydrophobicContact CH2-CD2 3.9Å; W166-L282 HydrophobicContact CZ3-CD2 3.72Å; F193-L282 HydrophobicContact CE1-CD2 4.18Å; F193-L282 HydrophobicContact CZ-CD2 4.02Å; L278-L282 HydrophobicContact CD1-CD1 4.27Å; L278-L282 HydrophobicContact CD1-CG 4.22Å; L278-L282 HydrophobicContact CG-CD1 4.16Å; L278-L282 HydrophobicContact CG-CG 4.49Å; L278-L282 WeakPolarHBondContact O-CB 3.45Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.47Å; Y279-L282 PolarHBondContact O-N 2.92Å; Q280-L282 PolarHBondContact O-N 3.18Å; L282-K285 CarbonylContact O-C 3.38Å; L282-K285 PolarHBondContact O-N 2.97Å; L282-G286 PolarHBondContact O-N 3.46Å; L282-G286 VanDerWaalsContact O-N 3.12Å; L282-C287 HydrophobicContact CB-CB 4.46Å; L282-C287 HydrophobicContact CD2-CB 4.12Å; L282-C287 PolarHBondContact O-N 3.32Å; L282-F291 HydrophobicContact CD1-CB 4.12Å; L282-F291 HydrophobicContact CD1-CD2 4.18Å
283	N	85.5	Confident	80.9	Confident	89 Å²	89	52.4 Å²	52.4	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-67.5	-42.7	178.5	-170.4	57.7	0	0	0	112.2	Y279 Q280 F281 K285 G286 C288	Y279-N283 WeakPolarHBondContact O-CB 3.37Å; Y279-N283 PolarHBondContact O-N 3.05Å; Q280-N283 WeakPolarHBondContact O-CB 3.4Å; Q280-N283 PolarHBondContact O-N 2.98Å; Q280-N283 VanDerWaalsContact O-N 3.13Å; F281-N283 VanDerWaalsContact C-N 3.31Å; F281-N283 PolarHBondContact O-N 3.13Å; N283-K285 PolarHBondContact O-N 3.02Å; N283-G286 PolarHBondContact O-N 2.86Å; N283-C288 HydrophobicContact CB-CB 4.25Å
284	E	86.4	Confident	80.7	Confident	155 Å²	155	51.5 Å²	51.5	72%	0.724	27%	0.273	S	S	*	.	H	α-helix	trans	-59.1	-32	173.4	-73.1	176.6	-176.3	0	0	112.5	Q280 F281	Q280-E284 WeakPolarHBondContact O-CG 3.37Å; Q280-E284 PolarHBondContact O-N 3.19Å; F281-E284 PolarHBondContact O-N 2.73Å
285	K	83.2	Confident	80.4	Confident	64 Å²	64	51.8 Å²	51.8	28%	0.278	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	6.1	176.6	-57.1	-62.1	-174.7	179.4	0	113.5	K254 F255 F281 L282 N283 C287	K254-K285 WeakPolarHBondContact CD-O 3.45Å; F255-K285 HydrophobicContact CD1-CD 4.43Å; F255-K285 HydrophobicContact CD1-CG 4.3Å; F255-K285 HydrophobicContact CE1-CB 4.16Å; F255-K285 HydrophobicContact CE1-CD 4.45Å; F255-K285 HydrophobicContact CE1-CG 3.84Å; F255-K285 HydrophobicContact CZ-CB 4.4Å; F281-K285 VanDerWaalsContact O-CG 3.31Å; F281-K285 WeakPolarHBondContact O-CG 3.31Å; F281-K285 PolarHBondContact O-N 3.19Å; L282-K285 CarbonylContact O-C 3.38Å; L282-K285 PolarHBondContact O-N 2.97Å; N283-K285 PolarHBondContact O-N 3.02Å; K285-C287 PolarHBondContact O-N 3.09Å; K285-C287 PolarHBondContact O-SG 3.3Å; K285-C287 VanDerWaalsContact O-SG 3.38Å
286	G	80.3	Confident	79.5	Confident	46 Å²	46	51.7 Å²	51.7	47%	0.474	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	37.5	179.9	0	0	0	0	0	114.2	K254 L282 N283	K254-G286 PolarHBondContact NZ-O 3.33Å; L282-G286 PolarHBondContact O-N 3.46Å; L282-G286 VanDerWaalsContact O-N 3.12Å; N283-G286 PolarHBondContact O-N 2.86Å
287	C	82.4	Confident	78.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.297	C	S	.	.			trans	-128.2	27.8	-179.4	-59.5	0	0	0	0	112.5	W166 K254 L282 K285 D289 V290	W166-C287 HydrophobicContact CH2-CB 3.6Å; W166-C287 HydrophobicContact CZ2-CB 3.89Å; K254-C287 WeakPolarHBondContact CD-SG 3.18Å; K254-C287 PolarHBondContact NZ-SG 3.11Å; L282-C287 HydrophobicContact CB-CB 4.46Å; L282-C287 HydrophobicContact CD2-CB 4.12Å; L282-C287 PolarHBondContact O-N 3.32Å; K285-C287 PolarHBondContact O-N 3.09Å; K285-C287 PolarHBondContact O-SG 3.3Å; K285-C287 VanDerWaalsContact O-SG 3.38Å; C287-D289 WeakPolarHBondContact CA-OD1 3.34Å; C287-D289 PolarHBondContact O-N 3.46Å; C287-V290 HydrophobicContact CB-CG2 4.48Å; C287-V290 PolarHBondContact O-N 2.87Å
288	C	76.6	Confident	77.1	Confident	47 Å²	47	59.8 Å²	59.8	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-28.6	-174.7	54.8	0	0	0	0	113.4	Y279 N283 V290 F291	Y279-C288 HydrophobicContact CE2-CB 4.1Å; N283-C288 HydrophobicContact CB-CB 4.25Å; C288-V290 PolarHBondContact O-N 3.41Å; C288-F291 VanDerWaalsContact O-CB 3.27Å; C288-F291 WeakPolarHBondContact O-CB 3.47Å; C288-F291 PolarHBondContact O-N 2.77Å; C288-F291 VanDerWaalsContact O-N 3.17Å
289	D	75.1	Confident	75.5	Confident	83 Å²	83	61 Å²	61	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-57.7	-35.1	175.1	59.2	-43.6	0	0	0	112.7	C287 F291 Q292 I293	C287-D289 WeakPolarHBondContact CA-OD1 3.34Å; C287-D289 PolarHBondContact O-N 3.46Å; D289-F291 PolarHBondContact O-N 2.92Å; D289-Q292 PolarHBondContact O-N 3.49Å; D289-I293 PolarHBondContact O-N 3.44Å
290	V	81.4	Confident	73.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-68.7	-24.7	-179.2	-174.4	0	0	0	0	112.4	W166 C287 C288 Q292 I293 Y294	W166-V290 HydrophobicContact CB-CG1 4.17Å; W166-V290 HydrophobicContact CD2-CB 4.33Å; W166-V290 HydrophobicContact CD2-CG1 3.53Å; W166-V290 HydrophobicContact CD2-CG2 4.14Å; W166-V290 HydrophobicContact CE3-CB 4.44Å; W166-V290 HydrophobicContact CE3-CG1 3.67Å; W166-V290 HydrophobicContact CG-CG1 3.78Å; W166-V290 HydrophobicContact CH2-CB 4.45Å; W166-V290 HydrophobicContact CH2-CG2 4.24Å; W166-V290 HydrophobicContact CZ2-CB 4.34Å; W166-V290 HydrophobicContact CZ2-CG1 4.42Å; W166-V290 HydrophobicContact CZ2-CG2 3.69Å; W166-V290 HydrophobicContact CZ3-CB 4.49Å; W166-V290 HydrophobicContact CZ3-CG1 4.15Å; C287-V290 HydrophobicContact CB-CG2 4.48Å; C287-V290 PolarHBondContact O-N 2.87Å; C288-V290 PolarHBondContact O-N 3.41Å; V290-Q292 VanDerWaalsContact C-N 3.3Å; V290-Q292 PolarHBondContact O-N 2.94Å; V290-I293 WeakPolarHBondContact O-CB 3.31Å; V290-I293 PolarHBondContact O-N 2.92Å; V290-Y294 HydrophobicContact CG1-CD2 3.7Å; V290-Y294 HydrophobicContact CG1-CE2 3.48Å; V290-Y294 VanDerWaalsContact CG1-CE2 3.48Å; V290-Y294 WeakPolarHBondContact O-CD2 3.4Å; V290-Y294 PolarHBondContact O-N 2.77Å
291	F	77	Confident	72.9	Confident	18 Å²	18	69.8 Å²	69.8	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-59.1	-43.8	175	-169.7	-91.2	0	0	0	111.3	L275 L278 Y279 L282 C288 D289 I293 Y294 F295	L275-F291 HydrophobicContact CB-CE2 4.3Å; L275-F291 HydrophobicContact CB-CZ 4.19Å; L275-F291 VanDerWaalsContact O-CE2 3.28Å; L275-F291 WeakPolarHBondContact O-CE2 3.22Å; L278-F291 HydrophobicContact CD2-CE2 4.38Å; Y279-F291 HydrophobicContact CD2-CB 3.89Å; Y279-F291 AromaticContact CD2-CD1 3.96Å; Y279-F291 HydrophobicContact CD2-CD1 3.96Å; Y279-F291 HydrophobicContact CD2-CD2 4.05Å; Y279-F291 HydrophobicContact CD2-CE1 4.5Å; Y279-F291 AromaticContact CD2-CG 3.7Å; Y279-F291 HydrophobicContact CD2-CG 3.7Å; Y279-F291 HydrophobicContact CE2-CB 4.43Å; L282-F291 HydrophobicContact CD1-CB 4.12Å; L282-F291 HydrophobicContact CD1-CD2 4.18Å; C288-F291 VanDerWaalsContact O-CB 3.27Å; C288-F291 WeakPolarHBondContact O-CB 3.47Å; C288-F291 PolarHBondContact O-N 2.77Å; C288-F291 VanDerWaalsContact O-N 3.17Å; D289-F291 PolarHBondContact O-N 2.92Å; F291-I293 VanDerWaalsContact C-N 3.28Å; F291-I293 PolarHBondContact O-N 3.47Å; F291-Y294 PolarHBondContact O-N 2.9Å; F291-F295 HydrophobicContact CD1-CD2 4.26Å; F291-F295 HydrophobicContact CD2-CD2 4.04Å; F291-F295 HydrophobicContact CD2-CE2 4.05Å; F291-F295 HydrophobicContact CE1-CD2 4.15Å; F291-F295 AromaticContact CE2-CD2 3.91Å; F291-F295 HydrophobicContact CE2-CD2 3.91Å; F291-F295 AromaticContact CE2-CE2 3.86Å; F291-F295 HydrophobicContact CE2-CE2 3.86Å; F291-F295 HydrophobicContact CG-CD2 4.21Å; F291-F295 AromaticContact CZ-CD2 3.98Å; F291-F295 HydrophobicContact CZ-CD2 3.98Å; F291-F295 HydrophobicContact CZ-CE2 4.31Å; F291-F295 WeakPolarHBondContact O-CD2 3.45Å; F291-F295 PolarHBondContact O-N 2.88Å; F291-F295 VanDerWaalsContact O-N 3.16Å
292	Q	73.1	Confident	72.2	Confident	101 Å²	101	72.2 Å²	72.2	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-63.9	-35.9	175	-170.5	179.5	7.9	0	0	111.4	D289 V290 Y294 G296	D289-Q292 PolarHBondContact O-N 3.49Å; V290-Q292 VanDerWaalsContact C-N 3.3Å; V290-Q292 PolarHBondContact O-N 2.94Å; Q292-Y294 PolarHBondContact O-N 3.37Å; Q292-G296 VanDerWaalsContact O-CA 3.23Å; Q292-G296 WeakPolarHBondContact O-CA 3.25Å; Q292-G296 PolarHBondContact O-N 3.17Å
293	I	71.9	Confident	71.4	Confident	64 Å²	64	76.1 Å²	76.1	33%	0.328	40%	0.397	S	S	.	.	H	α-helix	trans	-67.5	-35.5	178.3	-57.2	173.4	0	0	0	111.8	R229 H230 D289 V290 F291	R229-I293 HydrophobicContact CB-CG2 4.39Å; H230-I293 HydrophobicContact CB-CD1 4.22Å; H230-I293 HydrophobicContact CB-CG2 4.01Å; D289-I293 PolarHBondContact O-N 3.44Å; V290-I293 WeakPolarHBondContact O-CB 3.31Å; V290-I293 PolarHBondContact O-N 2.92Å; F291-I293 VanDerWaalsContact C-N 3.28Å; F291-I293 PolarHBondContact O-N 3.47Å
294	Y	70.9	Confident	70.6	Confident	6 Å²	6	75.4 Å²	75.4	2%	0.024	39%	0.393	C	S	.	.	H	α-helix	trans	-70.8	-42.5	177.2	-82.7	-58.7	0	0	0	113.3	W166 I167 Y168 I201 R229 V290 F291 Q292	W166-Y294 WeakPolarHBondContact CA-OH 3.36Å; W166-Y294 HydrophobicContact CB-CE2 4.37Å; W166-Y294 VanDerWaalsContact CB-OH 3.26Å; W166-Y294 WeakPolarHBondContact CB-OH 3.31Å; W166-Y294 AromaticContact CE3-CE2 3.9Å; W166-Y294 HydrophobicContact CE3-CE2 3.9Å; I167-Y294 PolarHBondContact N-OH 3.07Å; I167-Y294 VanDerWaalsContact N-OH 3.1Å; I167-Y294 PolarHBondContact O-OH 2.95Å; Y168-Y294 HydrophobicContact CD2-CD1 4Å; Y168-Y294 HydrophobicContact CG-CD1 4.5Å; I201-Y294 HydrophobicContact CD1-CD1 3.75Å; I201-Y294 HydrophobicContact CD1-CE1 3.8Å; I201-Y294 HydrophobicContact CD1-CG 4.13Å; I201-Y294 HydrophobicContact CG2-CE1 4.29Å; I201-Y294 HydrophobicContact CG2-CE2 3.85Å; R229-Y294 HydrophobicContact CB-CD1 4.04Å; R229-Y294 HydrophobicContact CB-CE1 3.92Å; R229-Y294 HydrophobicContact CG-CD1 3.76Å; R229-Y294 HydrophobicContact CG-CE1 3.89Å; V290-Y294 HydrophobicContact CG1-CD2 3.7Å; V290-Y294 HydrophobicContact CG1-CE2 3.48Å; V290-Y294 VanDerWaalsContact CG1-CE2 3.48Å; V290-Y294 WeakPolarHBondContact O-CD2 3.4Å; V290-Y294 PolarHBondContact O-N 2.77Å; F291-Y294 PolarHBondContact O-N 2.9Å; Q292-Y294 PolarHBondContact O-N 3.37Å
295	F	73.1	Confident	69.6	Low	50 Å²	50	70.4 Å²	70.4	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-116.7	-15.6	-163.9	-60.9	-72.8	0	0	0	114.9	P199 I201 L275 L278 F291 I297	P199-F295 HydrophobicContact CG-CE1 3.68Å; P199-F295 HydrophobicContact CG-CZ 3.93Å; I201-F295 HydrophobicContact CD1-CZ 4.49Å; L275-F295 HydrophobicContact CD1-CE1 4.19Å; L275-F295 HydrophobicContact CD1-CZ 4.43Å; L275-F295 HydrophobicContact CD2-CE1 4.09Å; L275-F295 HydrophobicContact CD2-CE2 4.27Å; L275-F295 HydrophobicContact CD2-CZ 3.64Å; L278-F295 HydrophobicContact CD2-CE2 4.08Å; L278-F295 HydrophobicContact CD2-CZ 4.32Å; F291-F295 HydrophobicContact CD1-CD2 4.26Å; F291-F295 HydrophobicContact CD2-CD2 4.04Å; F291-F295 HydrophobicContact CD2-CE2 4.05Å; F291-F295 HydrophobicContact CE1-CD2 4.15Å; F291-F295 AromaticContact CE2-CD2 3.91Å; F291-F295 HydrophobicContact CE2-CD2 3.91Å; F291-F295 AromaticContact CE2-CE2 3.86Å; F291-F295 HydrophobicContact CE2-CE2 3.86Å; F291-F295 HydrophobicContact CG-CD2 4.21Å; F291-F295 AromaticContact CZ-CD2 3.98Å; F291-F295 HydrophobicContact CZ-CD2 3.98Å; F291-F295 HydrophobicContact CZ-CE2 4.31Å; F291-F295 WeakPolarHBondContact O-CD2 3.45Å; F291-F295 PolarHBondContact O-N 2.88Å; F291-F295 VanDerWaalsContact O-N 3.16Å; F295-I297 PolarHBondContact O-N 3.12Å
296	G	60.5	Low	68.7	Low	64 Å²	64	70.8 Å²	70.8	66%	0.66	38%	0.378	S	S	*	.	S	Bend	trans	69.3	19.4	-176.3	0	0	0	0	0	113.9	Q292	Q292-G296 VanDerWaalsContact O-CA 3.23Å; Q292-G296 WeakPolarHBondContact O-CA 3.25Å; Q292-G296 PolarHBondContact O-N 3.17Å
297	I	60.3	Low	67.8	Low	112 Å²	112	72.6 Å²	72.6	57%	0.574	37%	0.371	S	S	*	.	S	Bend	trans	-126.9	134.3	-177	-55.5	168	0	0	0	107.8	F295 G299	F295-I297 PolarHBondContact O-N 3.12Å; I297-G299 PolarHBondContact O-N 3.12Å
298	E	52.8	Low	66.7	Low	140 Å²	140	78.2 Å²	78.2	65%	0.654	40%	0.4	S	S	*	.			trans	-67.4	125.8	169.8	-69.7	177.6	170.8	0	0	108.9	R300	E298-R300 PolarHBondContact O-N 2.98Å
299	G	52	Low	65.9	Low	27 Å²	27	80.8 Å²	80.8	28%	0.278	41%	0.407	S	S	.	.			trans	-55.7	122.3	178.4	0	0	0	0	0	110.3	I297	I297-G299 PolarHBondContact O-N 3.12Å
300	R	42.5	Very low	65	Low	304 Å²	304	80.5 Å²	80.5	100%	1.147	40%	0.403	S	S	*	.			trans	-116.2	0	175.1	-79.9	-170.8	178.2	-174.7	0.4	109.9	E298	E298-R300 PolarHBondContact O-N 2.98Å

Retrieved 300 of 300 residues in 396.5 ms (Link to these results)

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