A0A096NEK9_PAPAN Loading...

Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell. Structural component of gap junctions. Gap junctions are dodecameric channels that connect the cytoplasm of adjoining cells. They are formed by the docking of two hexameric hemichannels, one from each cell membrane. Small molecules and ions diffuse from one cell to a neighboring cell via the central pore.

AlphaFold DB (Q8MIT8), UniProt , Accession A0A096NEK9, Species PAPAN (Papio anubis, Olive baboon), Gene GJB2, Length 226 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.5	Low	68.2	Low	163 Å²	163	80.4 Å²	80.4	80%	0.803	46%	0.462	S	S	*	.				0	108.7	0	-139.5	160.2	96	0	0	106.5	W3	M1-W3 HydrophobicContact CE-CH2 3.39Å; M1-W3 HydrophobicContact CE-CZ2 3.4Å; M1-W3 VanDerWaalsContact CE-CZ2 3.4Å; M1-W3 HydrophobicContact CE-CZ3 4.06Å; M1-W3 VanDerWaalsContact O-CD1 3.28Å; M1-W3 PolarHBondContact O-N 3.28Å
2	D	69	Low	68.2	Low	142 Å²	142	76.8 Å²	76.8	76%	0.759	46%	0.455	S	S	*	.			trans	-77.8	85.5	-173.3	-77.4	-29.2	0	0	0	111.4	G4 A5	D2-G4 PolarHBondContact O-N 3.04Å; D2-G4 VanDerWaalsContact O-N 3.17Å; D2-A5 HydrophobicContact CB-CB 4.43Å; D2-A5 PolarHBondContact O-N 3Å; D2-A5 VanDerWaalsContact O-N 3.16Å
3	W	67.9	Low	68.3	Low	74 Å²	74	71.2 Å²	71.2	28%	0.28	42%	0.423	S	S	.	.	H	α-helix	trans	-57.7	-25.5	174.4	-63.2	108.7	0	0	0	112.7	M1 L6 Q7 I33 V37 L81	M1-W3 HydrophobicContact CE-CH2 3.39Å; M1-W3 HydrophobicContact CE-CZ2 3.4Å; M1-W3 VanDerWaalsContact CE-CZ2 3.4Å; M1-W3 HydrophobicContact CE-CZ3 4.06Å; M1-W3 VanDerWaalsContact O-CD1 3.28Å; M1-W3 PolarHBondContact O-N 3.28Å; W3-L6 HydrophobicContact CE3-CD2 3.92Å; W3-L6 HydrophobicContact CZ3-CD2 4Å; W3-L6 PolarHBondContact O-N 3.22Å; W3-Q7 WeakPolarHBondContact O-CB 3.4Å; W3-Q7 PolarHBondContact O-N 3.47Å; W3-I33 HydrophobicContact CE3-CG2 4.33Å; W3-V37 HydrophobicContact CD2-CG2 4.5Å; W3-V37 HydrophobicContact CG-CG2 4.31Å; W3-L81 HydrophobicContact CZ3-CD2 4.41Å
4	G	72.7	Confident	68.6	Low	44 Å²	44	70.6 Å²	70.6	45%	0.454	42%	0.416	S	S	.	.	H	α-helix	trans	-65.7	-35.9	176.2	0	0	0	0	0	114.1	D2 Q7 T8	D2-G4 PolarHBondContact O-N 3.04Å; D2-G4 VanDerWaalsContact O-N 3.17Å; G4-Q7 PolarHBondContact O-N 2.54Å; G4-T8 PolarHBondContact O-N 3.02Å; G4-T8 PolarHBondContact O-OG1 2.97Å
5	A	73.4	Confident	68.5	Low	53 Å²	53	75 Å²	75	44%	0.438	43%	0.428	S	S	.	.	H	α-helix	trans	-67.8	-45.3	175.6	0	0	0	0	0	110.4	D2 Q7 T8 I9	D2-A5 HydrophobicContact CB-CB 4.43Å; D2-A5 PolarHBondContact O-N 3Å; D2-A5 VanDerWaalsContact O-N 3.16Å; A5-Q7 PolarHBondContact O-N 2.83Å; A5-T8 PolarHBondContact O-N 3.4Å; A5-I9 WeakPolarHBondContact O-CG1 3.43Å; A5-I9 PolarHBondContact O-N 2.76Å
6	L	67.1	Low	68.4	Low	42 Å²	42	73.4 Å²	73.4	22%	0.22	41%	0.413	C	S	.	.	H	α-helix	trans	-58	-40.5	174.1	-171.4	71.4	0	0	0	110.8	W3 I9 L10 I33 L81	W3-L6 HydrophobicContact CE3-CD2 3.92Å; W3-L6 HydrophobicContact CZ3-CD2 4Å; W3-L6 PolarHBondContact O-N 3.22Å; L6-I9 PolarHBondContact O-N 3.18Å; L6-L10 HydrophobicContact CD1-CD1 4.13Å; L6-L10 HydrophobicContact CD1-CG 4.32Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.81Å; L6-L10 HydrophobicContact CG-CG 4.34Å; L6-L10 WeakPolarHBondContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 3.26Å; L6-I33 HydrophobicContact CD2-CD1 4.4Å; L6-L81 HydrophobicContact CD2-CD2 3.87Å
7	Q	67.1	Low	68.6	Low	119 Å²	119	70.2 Å²	70.2	56%	0.556	40%	0.397	S	S	*	.	H	α-helix	trans	-64.7	-40.2	177.9	179.3	172	11.6	0	0	113.7	W3 G4 A5 G11 F29	W3-Q7 WeakPolarHBondContact O-CB 3.4Å; W3-Q7 PolarHBondContact O-N 3.47Å; G4-Q7 PolarHBondContact O-N 2.54Å; A5-Q7 PolarHBondContact O-N 2.83Å; Q7-G11 PolarHBondContact O-N 3.3Å; Q7-F29 HydrophobicContact CB-CE1 3.63Å; Q7-F29 HydrophobicContact CB-CZ 4.19Å; Q7-F29 HydrophobicContact CG-CD1 4.25Å; Q7-F29 HydrophobicContact CG-CE1 3.5Å; Q7-F29 VanDerWaalsContact CG-CE1 3.5Å; Q7-F29 HydrophobicContact CG-CZ 4.04Å; Q7-F29 VanDerWaalsContact O-CZ 3.28Å; Q7-F29 WeakPolarHBondContact O-CZ 3.28Å
8	T	74	Confident	69.2	Low	109 Å²	109	66.9 Å²	66.9	67%	0.669	38%	0.379	S	S	*	.	H	α-helix	trans	-66.5	-44.2	176.8	-54.9	0	0	0	0	111	G4 A5 G11 G12	G4-T8 PolarHBondContact O-N 3.02Å; G4-T8 PolarHBondContact O-OG1 2.97Å; A5-T8 PolarHBondContact O-N 3.4Å; T8-G11 PolarHBondContact O-N 3.07Å; T8-G12 PolarHBondContact O-N 3.31Å; T8-G12 VanDerWaalsContact O-N 3.14Å
9	I	72.5	Confident	69.8	Low	99 Å²	99	67.7 Å²	67.7	51%	0.508	39%	0.389	S	S	.	.	H	α-helix	trans	-66.3	-51.2	-178.4	-63.4	165.5	0	0	0	110.5	A5 L6 G11 G12 V13 L89	A5-I9 WeakPolarHBondContact O-CG1 3.43Å; A5-I9 PolarHBondContact O-N 2.76Å; L6-I9 PolarHBondContact O-N 3.18Å; I9-G11 VanDerWaalsContact C-N 3.31Å; I9-G11 PolarHBondContact O-N 3.27Å; I9-G12 PolarHBondContact O-N 2.93Å; I9-G12 VanDerWaalsContact O-N 3.13Å; I9-V13 PolarHBondContact O-N 3.36Å; I9-L89 HydrophobicContact CB-CD2 4.5Å; I9-L89 HydrophobicContact CG2-CD2 3.37Å
10	L	67.5	Low	70.4	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-66.9	-32.3	-179.7	-74.9	174.7	0	0	0	111.6	L6 G12 V13 F29 L89	L6-L10 HydrophobicContact CD1-CD1 4.13Å; L6-L10 HydrophobicContact CD1-CG 4.32Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.81Å; L6-L10 HydrophobicContact CG-CG 4.34Å; L6-L10 WeakPolarHBondContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 3.26Å; L10-G12 VanDerWaalsContact C-N 3.29Å; L10-G12 PolarHBondContact O-N 3.15Å; L10-V13 HydrophobicContact CD2-CG2 4.48Å; L10-V13 VanDerWaalsContact O-CB 3.27Å; L10-V13 WeakPolarHBondContact O-CB 3.24Å; L10-V13 PolarHBondContact O-N 2.71Å; L10-V13 VanDerWaalsContact O-N 3.12Å; L10-F29 HydrophobicContact CB-CD2 4.36Å; L10-F29 HydrophobicContact CB-CE1 4.26Å; L10-F29 HydrophobicContact CB-CE2 3.21Å; L10-F29 HydrophobicContact CB-CZ 3.16Å; L10-F29 HydrophobicContact CD1-CE1 4.44Å; L10-F29 HydrophobicContact CD1-CE2 4.24Å; L10-F29 HydrophobicContact CD1-CZ 4.03Å; L10-F29 HydrophobicContact CG-CE2 4.36Å; L10-F29 HydrophobicContact CG-CZ 4.23Å; L10-L89 HydrophobicContact CD2-CD2 3.65Å; L10-L89 HydrophobicContact CD2-CG 3.96Å; L10-L89 HydrophobicContact CG-CD2 4.23Å
11	G	68.2	Low	70.9	Confident	38 Å²	38	63.4 Å²	63.4	39%	0.392	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-35.4	171.9	0	0	0	0	0	112.8	Q7 T8 I9 V13 N14	Q7-G11 PolarHBondContact O-N 3.3Å; T8-G11 PolarHBondContact O-N 3.07Å; I9-G11 VanDerWaalsContact C-N 3.31Å; I9-G11 PolarHBondContact O-N 3.27Å; G11-V13 VanDerWaalsContact C-N 3.26Å; G11-V13 PolarHBondContact O-N 2.96Å; G11-N14 WeakPolarHBondContact O-CB 3.5Å; G11-N14 PolarHBondContact O-N 3.25Å
12	G	68	Low	72.5	Confident	37 Å²	37	59.9 Å²	59.9	38%	0.381	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-28.4	173	0	0	0	0	0	113.8	T8 I9 L10 N14 K15 Y16	T8-G12 PolarHBondContact O-N 3.31Å; T8-G12 VanDerWaalsContact O-N 3.14Å; I9-G12 PolarHBondContact O-N 2.93Å; I9-G12 VanDerWaalsContact O-N 3.13Å; L10-G12 VanDerWaalsContact C-N 3.29Å; L10-G12 PolarHBondContact O-N 3.15Å; G12-N14 VanDerWaalsContact C-N 3.26Å; G12-N14 PolarHBondContact O-N 2.93Å; G12-K15 PolarHBondContact O-N 2.63Å; G12-Y16 WeakPolarHBondContact O-CD2 3.4Å; G12-Y16 WeakPolarHBondContact O-CE2 3.26Å
13	V	69.9	Low	73.4	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-65.8	-31.3	176.8	-173.3	0	0	0	0	111.4	I9 L10 G11 K15 Y16 S17 L25 L89 A92	I9-V13 PolarHBondContact O-N 3.36Å; L10-V13 HydrophobicContact CD2-CG2 4.48Å; L10-V13 VanDerWaalsContact O-CB 3.27Å; L10-V13 WeakPolarHBondContact O-CB 3.24Å; L10-V13 PolarHBondContact O-N 2.71Å; L10-V13 VanDerWaalsContact O-N 3.12Å; G11-V13 VanDerWaalsContact C-N 3.26Å; G11-V13 PolarHBondContact O-N 2.96Å; V13-K15 PolarHBondContact O-N 3.37Å; V13-Y16 PolarHBondContact O-N 3.31Å; V13-S17 PolarHBondContact O-N 3.08Å; V13-S17 PolarHBondContact O-OG 3.29Å; V13-L25 HydrophobicContact CB-CD1 4.08Å; V13-L25 HydrophobicContact CG1-CD1 4.01Å; V13-L89 HydrophobicContact CG2-CD2 4.07Å; V13-A92 HydrophobicContact CB-CB 4.15Å; V13-A92 HydrophobicContact CG1-CB 3.99Å; V13-A92 HydrophobicContact CG2-CB 3.6Å
14	N	72.7	Confident	74.4	Confident	62 Å²	62	54.1 Å²	54.1	33%	0.332	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.4	-178.4	-159	13.1	0	0	0	112.7	G11 G12 Y16 K22 L25	G11-N14 WeakPolarHBondContact O-CB 3.5Å; G11-N14 PolarHBondContact O-N 3.25Å; G12-N14 VanDerWaalsContact C-N 3.26Å; G12-N14 PolarHBondContact O-N 2.93Å; N14-Y16 PolarHBondContact O-N 2.81Å; N14-K22 VanDerWaalsContact O-CE 3.26Å; N14-K22 WeakPolarHBondContact O-CE 3.39Å; N14-K22 VanDerWaalsContact OD1-CB 3.27Å; N14-K22 WeakPolarHBondContact OD1-CB 3.43Å; N14-K22 WeakPolarHBondContact OD1-CD 3.37Å; N14-K22 WeakPolarHBondContact OD1-CG 3.31Å; N14-L25 HydrophobicContact CB-CD1 4.18Å
15	K	67.4	Low	74.9	Confident	137 Å²	137	52.3 Å²	52.3	60%	0.596	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.8	175.9	-168.2	169.8	-176.4	174.6	0	113.3	G12 V13	G12-K15 PolarHBondContact O-N 2.63Å; V13-K15 PolarHBondContact O-N 3.37Å
16	Y	67.3	Low	75.4	Confident	49 Å²	49	52.8 Å²	52.8	19%	0.192	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-6.2	-170.5	-50.8	-58.1	0	0	0	113.9	G12 V13 N14 A92 V95 V126	G12-Y16 WeakPolarHBondContact O-CD2 3.4Å; G12-Y16 WeakPolarHBondContact O-CE2 3.26Å; V13-Y16 PolarHBondContact O-N 3.31Å; N14-Y16 PolarHBondContact O-N 2.81Å; Y16-A92 HydrophobicContact CD2-CB 4.36Å; Y16-V95 HydrophobicContact CD1-CB 4.42Å; Y16-V95 HydrophobicContact CD1-CG1 3.42Å; Y16-V95 VanDerWaalsContact CD1-CG1 3.42Å; Y16-V95 HydrophobicContact CD2-CG1 4.46Å; Y16-V95 HydrophobicContact CE1-CG1 3.79Å; Y16-V95 HydrophobicContact CG-CB 4.33Å; Y16-V95 HydrophobicContact CG-CG1 3.78Å; Y16-V126 HydrophobicContact CD1-CG2 3.85Å; Y16-V126 HydrophobicContact CE1-CG2 4.43Å
17	S	71.6	Confident	76.3	Confident	19 Å²	19	51.9 Å²	51.9	13%	0.133	29%	0.291	C	S	.	.	S	Bend	trans	-88.9	153.8	-178.4	-60.6	0	0	0	0	113.3	V13 K22	V13-S17 PolarHBondContact O-N 3.08Å; V13-S17 PolarHBondContact O-OG 3.29Å; S17-K22 WeakPolarHBondContact O-CE 3.46Å
18	T	78.4	Confident	77.1	Confident	11 Å²	11	46.2 Å²	46.2	7%	0.067	26%	0.264	C	S	.	.			trans	-63.3	163.6	167.7	74.1	0	0	0	0	110.5	I20 G21 K22 I128 Y136 E209 V226	T18-I20 PolarHBondContact O-N 3.23Å; T18-I20 VanDerWaalsContact O-N 3.15Å; T18-I20 PolarHBondContact OG1-N 2.94Å; T18-G21 CarbonylContact O-C 3.5Å; T18-G21 WeakPolarHBondContact O-CA 3.39Å; T18-G21 PolarHBondContact O-N 2.85Å; T18-G21 PolarHBondContact OG1-N 2.87Å; T18-G21 VanDerWaalsContact OG1-N 3.08Å; T18-K22 VanDerWaalsContact O-CG 3.31Å; T18-K22 WeakPolarHBondContact O-CG 3.44Å; T18-K22 PolarHBondContact O-N 2.96Å; T18-I128 HydrophobicContact CG2-CD1 3.72Å; T18-Y136 HydrophobicContact CG2-CE1 3.85Å; T18-Y136 WeakPolarHBondContact CG2-OH 3.26Å; T18-E209 WeakPolarHBondContact CB-OE1 3.07Å; T18-E209 WeakPolarHBondContact CG2-OE1 3.43Å; T18-E209 VanDerWaalsContact OG1-CD 3.3Å; T18-E209 PolarHBondContact OG1-OE1 3.04Å; T18-V226 HydrophobicContact CG2-CG1 3.63Å
19	S	80.4	Confident	77.2	Confident	82 Å²	82	42.7 Å²	42.7	57%	0.573	24%	0.24	S	C	*	.	H	α-helix	trans	-51.8	-38	175.9	-56.6	0	0	0	0	113.5	K22 I23	S19-K22 PolarHBondContact O-N 3.14Å; S19-I23 WeakPolarHBondContact O-CG1 3.32Å; S19-I23 PolarHBondContact O-N 3.43Å
20	I	82.7	Confident	77.6	Confident	44 Å²	44	42.2 Å²	42.2	23%	0.226	24%	0.237	C	C	.	.	H	α-helix	trans	-70.2	-44	176.7	-59.7	172.5	0	0	0	110.4	T18 K22 I23 W24 E209	T18-I20 PolarHBondContact O-N 3.23Å; T18-I20 VanDerWaalsContact O-N 3.15Å; T18-I20 PolarHBondContact OG1-N 2.94Å; I20-K22 PolarHBondContact O-N 3.44Å; I20-I23 WeakPolarHBondContact O-CB 3.05Å; I20-I23 PolarHBondContact O-N 3.46Å; I20-I23 VanDerWaalsContact O-N 3.1Å; I20-W24 PolarHBondContact O-N 3.36Å; I20-E209 HydrophobicContact CB-CB 4.41Å; I20-E209 HydrophobicContact CB-CG 4.28Å; I20-E209 HydrophobicContact CD1-CB 4.47Å; I20-E209 HydrophobicContact CG2-CB 3.96Å; I20-E209 HydrophobicContact CG2-CG 4.34Å
21	G	81.5	Confident	78.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-33.3	175.7	0	0	0	0	0	113.1	T18 W24 L25 E209	T18-G21 CarbonylContact O-C 3.5Å; T18-G21 WeakPolarHBondContact O-CA 3.39Å; T18-G21 PolarHBondContact O-N 2.85Å; T18-G21 PolarHBondContact OG1-N 2.87Å; T18-G21 VanDerWaalsContact OG1-N 3.08Å; G21-W24 PolarHBondContact O-N 3.07Å; G21-L25 WeakPolarHBondContact O-CB 3.26Å; G21-L25 WeakPolarHBondContact O-CG 3.42Å; G21-L25 PolarHBondContact O-N 3.44Å; G21-E209 PolarHBondContact N-OE2 2.05Å
22	K	84.4	Confident	79.4	Confident	90 Å²	90	45.1 Å²	45.1	39%	0.391	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-41.7	173.6	-60	-170	-177	171.6	0	112.3	N14 S17 T18 S19 I20 L25 T26	N14-K22 VanDerWaalsContact O-CE 3.26Å; N14-K22 WeakPolarHBondContact O-CE 3.39Å; N14-K22 VanDerWaalsContact OD1-CB 3.27Å; N14-K22 WeakPolarHBondContact OD1-CB 3.43Å; N14-K22 WeakPolarHBondContact OD1-CD 3.37Å; N14-K22 WeakPolarHBondContact OD1-CG 3.31Å; S17-K22 WeakPolarHBondContact O-CE 3.46Å; T18-K22 VanDerWaalsContact O-CG 3.31Å; T18-K22 WeakPolarHBondContact O-CG 3.44Å; T18-K22 PolarHBondContact O-N 2.96Å; S19-K22 PolarHBondContact O-N 3.14Å; I20-K22 PolarHBondContact O-N 3.44Å; K22-L25 PolarHBondContact O-N 3.33Å; K22-T26 WeakPolarHBondContact O-CB 3.35Å; K22-T26 PolarHBondContact O-N 2.87Å; K22-T26 PolarHBondContact O-OG1 2.97Å
23	I	87	Confident	80.2	Confident	95 Å²	95	44.1 Å²	44.1	49%	0.487	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-47.6	174.9	-63.4	165.6	0	0	0	109.1	S19 I20 L25 T26 V27 L205	S19-I23 WeakPolarHBondContact O-CG1 3.32Å; S19-I23 PolarHBondContact O-N 3.43Å; I20-I23 WeakPolarHBondContact O-CB 3.05Å; I20-I23 PolarHBondContact O-N 3.46Å; I20-I23 VanDerWaalsContact O-N 3.1Å; I23-L25 PolarHBondContact O-N 2.9Å; I23-T26 WeakPolarHBondContact O-CB 3.47Å; I23-T26 PolarHBondContact O-N 3.36Å; I23-T26 VanDerWaalsContact O-N 3.16Å; I23-V27 HydrophobicContact CG2-CG2 4.4Å; I23-V27 WeakPolarHBondContact O-CG2 3.27Å; I23-V27 PolarHBondContact O-N 3.31Å; I23-L205 HydrophobicContact CG2-CD1 4.16Å
24	W	88.5	Confident	80.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-44.9	176.9	178	93.4	0	0	0	112.8	I20 G21 T26 V27 L28 V84 A88 L205 N206	I20-W24 PolarHBondContact O-N 3.36Å; G21-W24 PolarHBondContact O-N 3.07Å; W24-T26 VanDerWaalsContact C-N 3.28Å; W24-T26 PolarHBondContact O-N 3.43Å; W24-V27 PolarHBondContact O-N 3.38Å; W24-L28 HydrophobicContact CE3-CD1 4.28Å; W24-L28 HydrophobicContact CH2-CD1 3.26Å; W24-L28 HydrophobicContact CZ2-CD1 3.56Å; W24-L28 HydrophobicContact CZ3-CD1 3.65Å; W24-L28 WeakPolarHBondContact O-CB 3.2Å; W24-L28 PolarHBondContact O-N 3.19Å; W24-V84 HydrophobicContact CH2-CG1 3.89Å; W24-V84 HydrophobicContact CZ2-CG1 3.34Å; W24-A88 HydrophobicContact CH2-CB 4.44Å; W24-A88 HydrophobicContact CZ3-CB 4.23Å; W24-L205 HydrophobicContact CB-CD1 4.31Å; W24-N206 PolarHBondContact NE1-ND2 2.94Å; W24-N206 VanDerWaalsContact NE1-ND2 3.18Å
25	L	83.8	Confident	81.3	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-43.2	177.1	-80.4	170.9	0	0	0	110.7	V13 N14 G21 K22 I23 L28 F29	V13-L25 HydrophobicContact CB-CD1 4.08Å; V13-L25 HydrophobicContact CG1-CD1 4.01Å; N14-L25 HydrophobicContact CB-CD1 4.18Å; G21-L25 WeakPolarHBondContact O-CB 3.26Å; G21-L25 WeakPolarHBondContact O-CG 3.42Å; G21-L25 PolarHBondContact O-N 3.44Å; K22-L25 PolarHBondContact O-N 3.33Å; I23-L25 PolarHBondContact O-N 2.9Å; L25-L28 PolarHBondContact O-N 3.04Å; L25-F29 VanDerWaalsContact O-CB 3.3Å; L25-F29 WeakPolarHBondContact O-CB 3.46Å; L25-F29 WeakPolarHBondContact O-CD2 3.31Å; L25-F29 PolarHBondContact O-N 3.02Å
26	T	84.6	Confident	82.2	Confident	64 Å²	64	40.4 Å²	40.4	39%	0.393	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-44.2	177.8	-54.6	0	0	0	0	111.2	K22 I23 W24 F29 I30	K22-T26 WeakPolarHBondContact O-CB 3.35Å; K22-T26 PolarHBondContact O-N 2.87Å; K22-T26 PolarHBondContact O-OG1 2.97Å; I23-T26 WeakPolarHBondContact O-CB 3.47Å; I23-T26 PolarHBondContact O-N 3.36Å; I23-T26 VanDerWaalsContact O-N 3.16Å; W24-T26 VanDerWaalsContact C-N 3.28Å; W24-T26 PolarHBondContact O-N 3.43Å; T26-F29 PolarHBondContact O-N 3.41Å; T26-I30 HydrophobicContact CG2-CD1 3.57Å; T26-I30 HydrophobicContact CG2-CG1 4.3Å; T26-I30 WeakPolarHBondContact O-CB 3.45Å; T26-I30 WeakPolarHBondContact O-CG1 3.46Å; T26-I30 PolarHBondContact O-N 3.35Å
27	V	85.3	Confident	83.1	Confident	22 Å²	22	41.1 Å²	41.1	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-47	177.2	171.2	0	0	0	0	111.4	I23 W24 F29 F31 V198 L205	I23-V27 HydrophobicContact CG2-CG2 4.4Å; I23-V27 WeakPolarHBondContact O-CG2 3.27Å; I23-V27 PolarHBondContact O-N 3.31Å; W24-V27 PolarHBondContact O-N 3.38Å; V27-F29 VanDerWaalsContact C-N 3.34Å; V27-F29 PolarHBondContact O-N 3.48Å; V27-F31 HydrophobicContact CG1-CD2 4.17Å; V27-F31 WeakPolarHBondContact O-CB 3.42Å; V27-F31 PolarHBondContact O-N 3.39Å; V27-V198 HydrophobicContact CG1-CG1 4Å; V27-L205 HydrophobicContact CG2-CD1 4.46Å
28	L	83.9	Confident	83.8	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.234	C	C	.	.	I	π-helix	trans	-59.5	-48	177.8	-164.8	174.1	0	0	0	110.3	W24 L25 R32 I33 L81 V84	W24-L28 HydrophobicContact CE3-CD1 4.28Å; W24-L28 HydrophobicContact CH2-CD1 3.26Å; W24-L28 HydrophobicContact CZ2-CD1 3.56Å; W24-L28 HydrophobicContact CZ3-CD1 3.65Å; W24-L28 WeakPolarHBondContact O-CB 3.2Å; W24-L28 PolarHBondContact O-N 3.19Å; L25-L28 PolarHBondContact O-N 3.04Å; L28-R32 VanDerWaalsContact O-CB 3.29Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 PolarHBondContact O-N 3.11Å; L28-R32 VanDerWaalsContact O-N 3.13Å; L28-I33 HydrophobicContact CD2-CG1 4.45Å; L28-I33 PolarHBondContact O-N 3.42Å; L28-L81 HydrophobicContact CD2-CD1 3.77Å; L28-L81 HydrophobicContact CD2-CG 3.98Å; L28-V84 HydrophobicContact CD1-CG1 4.27Å
29	F	76.6	Confident	84.1	Confident	35 Å²	35	43.2 Å²	43.2	15%	0.154	23%	0.23	C	C	.	.	I	π-helix	trans	-61.7	-55.6	-179.5	-102.2	-66.7	0	0	0	114	Q7 L10 L25 T26 V27 I33	Q7-F29 HydrophobicContact CB-CE1 3.63Å; Q7-F29 HydrophobicContact CB-CZ 4.19Å; Q7-F29 HydrophobicContact CG-CD1 4.25Å; Q7-F29 HydrophobicContact CG-CE1 3.5Å; Q7-F29 VanDerWaalsContact CG-CE1 3.5Å; Q7-F29 HydrophobicContact CG-CZ 4.04Å; Q7-F29 VanDerWaalsContact O-CZ 3.28Å; Q7-F29 WeakPolarHBondContact O-CZ 3.28Å; L10-F29 HydrophobicContact CB-CD2 4.36Å; L10-F29 HydrophobicContact CB-CE1 4.26Å; L10-F29 HydrophobicContact CB-CE2 3.21Å; L10-F29 HydrophobicContact CB-CZ 3.16Å; L10-F29 HydrophobicContact CD1-CE1 4.44Å; L10-F29 HydrophobicContact CD1-CE2 4.24Å; L10-F29 HydrophobicContact CD1-CZ 4.03Å; L10-F29 HydrophobicContact CG-CE2 4.36Å; L10-F29 HydrophobicContact CG-CZ 4.23Å; L25-F29 VanDerWaalsContact O-CB 3.3Å; L25-F29 WeakPolarHBondContact O-CB 3.46Å; L25-F29 WeakPolarHBondContact O-CD2 3.31Å; L25-F29 PolarHBondContact O-N 3.02Å; T26-F29 PolarHBondContact O-N 3.41Å; V27-F29 VanDerWaalsContact C-N 3.34Å; V27-F29 PolarHBondContact O-N 3.48Å; F29-I33 HydrophobicContact CD1-CD1 3.61Å; F29-I33 HydrophobicContact CE1-CD1 3.77Å; F29-I33 HydrophobicContact CG-CD1 4.47Å; F29-I33 WeakPolarHBondContact O-CB 3.37Å
30	I	80.8	Confident	84.2	Confident	88 Å²	88	41.1 Å²	41.1	45%	0.451	22%	0.218	S	C	.	.	I	π-helix	trans	-73.9	-50.1	-170.1	-64.6	178.2	0	0	0	109.1	T26 M34	T26-I30 HydrophobicContact CG2-CD1 3.57Å; T26-I30 HydrophobicContact CG2-CG1 4.3Å; T26-I30 WeakPolarHBondContact O-CB 3.45Å; T26-I30 WeakPolarHBondContact O-CG1 3.46Å; T26-I30 PolarHBondContact O-N 3.35Å; I30-M34 WeakPolarHBondContact O-CB 3.46Å
31	F	84.6	Confident	84.2	Confident	97 Å²	97	46.9 Å²	46.9	43%	0.425	24%	0.241	S	C	.	.	I	π-helix	trans	-84.4	-46.2	-170.8	-64.8	-72.1	0	0	0	112	V27 I35 V198	V27-F31 HydrophobicContact CG1-CD2 4.17Å; V27-F31 WeakPolarHBondContact O-CB 3.42Å; V27-F31 PolarHBondContact O-N 3.39Å; F31-I35 VanDerWaalsContact O-CB 3.24Å; F31-I35 WeakPolarHBondContact O-CB 3.25Å; F31-I35 VanDerWaalsContact O-CD1 3.27Å; F31-I35 WeakPolarHBondContact O-CD1 3.44Å; F31-I35 WeakPolarHBondContact O-CG1 3.35Å; F31-I35 PolarHBondContact O-N 3.42Å; F31-I35 VanDerWaalsContact O-N 3.09Å; F31-V198 HydrophobicContact CB-CG1 4.11Å; F31-V198 HydrophobicContact CB-CG2 3.95Å; F31-V198 HydrophobicContact CG-CG2 4.48Å
32	R	87.7	Confident	84.5	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.011	27%	0.269	C	S	.	.	I	π-helix	trans	-78.1	-45.8	-173.8	-66.6	-173.3	165.4	162	-5.6	114	L28 I35 L36 L81 E147 M195 V198 S199	L28-R32 VanDerWaalsContact O-CB 3.29Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 PolarHBondContact O-N 3.11Å; L28-R32 VanDerWaalsContact O-N 3.13Å; R32-I35 PolarHBondContact O-N 2.77Å; R32-L36 VanDerWaalsContact O-CB 3.28Å; R32-L36 WeakPolarHBondContact O-CB 3.37Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.39Å; R32-L36 PolarHBondContact O-N 2.9Å; R32-L81 HydrophobicContact CB-CD1 3.99Å; R32-E147 IonicContact CZ-OE1 2.69Å; R32-E147 IonicContact CZ-OE2 3.14Å; R32-E147 IonicContact NH1-OE1 3.69Å; R32-E147 PolarHBondContact NH1-OE1 3.07Å; R32-E147 IonicContact NH1-OE2 2.64Å; R32-E147 IonicContact NH2-OE1 3.57Å; R32-E147 PolarHBondContact NH2-OE1 3.49Å; R32-E147 IonicContact NH2-OE2 2.83Å; R32-E147 PolarHBondContact NH2-OE2 3.35Å; R32-M195 HydrophobicContact CB-CE 4.49Å; R32-M195 HydrophobicContact CG-CE 4.29Å; R32-M195 HydrophobicContact CG-SD 4.44Å; R32-V198 HydrophobicContact CG-CG1 3.79Å; R32-S199 VanDerWaalsContact NH2-CB 3.28Å; R32-S199 PolarHBondContact NH2-OG 2.85Å
33	I	85.3	Confident	84.8	Confident	17 Å²	17	48.7 Å²	48.7	9%	0.087	25%	0.251	C	S	.	.	I	π-helix	trans	-67.2	-42.9	-179.1	-59.9	179.9	0	0	0	109.8	W3 L6 L28 F29 L36 V37 L81	W3-I33 HydrophobicContact CE3-CG2 4.33Å; L6-I33 HydrophobicContact CD2-CD1 4.4Å; L28-I33 HydrophobicContact CD2-CG1 4.45Å; L28-I33 PolarHBondContact O-N 3.42Å; F29-I33 HydrophobicContact CD1-CD1 3.61Å; F29-I33 HydrophobicContact CE1-CD1 3.77Å; F29-I33 HydrophobicContact CG-CD1 4.47Å; F29-I33 WeakPolarHBondContact O-CB 3.37Å; I33-L36 PolarHBondContact O-N 3.44Å; I33-V37 HydrophobicContact CG2-CG2 4.16Å; I33-V37 WeakPolarHBondContact O-CB 3.3Å; I33-V37 VanDerWaalsContact O-CG2 3.26Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.16Å; I33-L81 HydrophobicContact CG1-CD1 3.6Å
34	M	82.3	Confident	85	Confident	105 Å²	105	44.6 Å²	44.6	52%	0.517	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-49.1	176.7	-173.7	-176.1	69.6	0	0	111.5	I30 L36 V37 V38	I30-M34 WeakPolarHBondContact O-CB 3.46Å; M34-L36 PolarHBondContact O-N 3.04Å; M34-V37 PolarHBondContact O-N 3.44Å; M34-V38 HydrophobicContact CG-CG2 4.47Å; M34-V38 WeakPolarHBondContact O-CG2 3.3Å; M34-V38 PolarHBondContact O-N 3.1Å
35	I	83.4	Confident	85	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.082	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-47.1	178.1	-70.8	168.2	0	0	0	110.3	F31 R32 V37 V38 A39 F191 F194 M195	F31-I35 VanDerWaalsContact O-CB 3.24Å; F31-I35 WeakPolarHBondContact O-CB 3.25Å; F31-I35 VanDerWaalsContact O-CD1 3.27Å; F31-I35 WeakPolarHBondContact O-CD1 3.44Å; F31-I35 WeakPolarHBondContact O-CG1 3.35Å; F31-I35 PolarHBondContact O-N 3.42Å; F31-I35 VanDerWaalsContact O-N 3.09Å; R32-I35 PolarHBondContact O-N 2.77Å; I35-V37 VanDerWaalsContact C-N 3.31Å; I35-V37 PolarHBondContact O-N 3.41Å; I35-V38 PolarHBondContact O-N 3.29Å; I35-A39 HydrophobicContact CG2-CB 4.36Å; I35-A39 WeakPolarHBondContact O-CB 3.49Å; I35-A39 PolarHBondContact O-N 2.99Å; I35-F191 HydrophobicContact CG2-CD1 3.85Å; I35-F191 HydrophobicContact CG2-CE1 4.4Å; I35-F194 HydrophobicContact CD1-CB 4.27Å; I35-M195 HydrophobicContact CB-SD 3.88Å; I35-M195 HydrophobicContact CD1-SD 4.04Å; I35-M195 HydrophobicContact CG2-CG 3.79Å; I35-M195 HydrophobicContact CG2-SD 3.56Å; I35-M195 VanDerWaalsContact CG2-SD 3.56Å
36	L	87.1	Confident	85.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-43.7	177.7	-81.9	169.1	0	0	0	112.2	R32 I33 M34 A40 I74 W77 L81 M195	R32-L36 VanDerWaalsContact O-CB 3.28Å; R32-L36 WeakPolarHBondContact O-CB 3.37Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.39Å; R32-L36 PolarHBondContact O-N 2.9Å; I33-L36 PolarHBondContact O-N 3.44Å; M34-L36 PolarHBondContact O-N 3.04Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.29Å; L36-A40 VanDerWaalsContact O-N 3.07Å; L36-I74 HydrophobicContact CD2-CD1 3.64Å; L36-I74 HydrophobicContact CD2-CG1 4.18Å; L36-W77 HydrophobicContact CD2-CB 3.56Å; L36-W77 HydrophobicContact CD2-CE3 4.38Å; L36-L81 HydrophobicContact CD1-CB 4.1Å; L36-L81 HydrophobicContact CD1-CD1 3.55Å; L36-L81 HydrophobicContact CD1-CG 4.41Å; L36-M195 HydrophobicContact CG-CE 4.43Å
37	V	85.3	Confident	85.6	Confident	64 Å²	64	48.3 Å²	48.3	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-69.6	-42.9	-178.1	171.4	0	0	0	0	111.8	W3 I33 M34 I35	W3-V37 HydrophobicContact CD2-CG2 4.5Å; W3-V37 HydrophobicContact CG-CG2 4.31Å; I33-V37 HydrophobicContact CG2-CG2 4.16Å; I33-V37 WeakPolarHBondContact O-CB 3.3Å; I33-V37 VanDerWaalsContact O-CG2 3.26Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.16Å; M34-V37 PolarHBondContact O-N 3.44Å; I35-V37 VanDerWaalsContact C-N 3.31Å; I35-V37 PolarHBondContact O-N 3.41Å
38	V	85.5	Confident	85.9	Confident	75 Å²	75	51.9 Å²	51.9	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-71.3	-51.1	-179.8	173.9	0	0	0	0	110.8	M34 I35 A40 E42	M34-V38 HydrophobicContact CG-CG2 4.47Å; M34-V38 WeakPolarHBondContact O-CG2 3.3Å; M34-V38 PolarHBondContact O-N 3.1Å; I35-V38 PolarHBondContact O-N 3.29Å; V38-A40 PolarHBondContact O-N 2.89Å; V38-E42 PolarHBondContact O-N 3.35Å
39	A	85.5	Confident	86.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.8	-37.6	-175.3	0	0	0	0	0	112.9	I35 K41 V43 W44 I74 F191	I35-A39 HydrophobicContact CG2-CB 4.36Å; I35-A39 WeakPolarHBondContact O-CB 3.49Å; I35-A39 PolarHBondContact O-N 2.99Å; A39-K41 VanDerWaalsContact C-N 3.26Å; A39-K41 PolarHBondContact O-N 3.46Å; A39-V43 PolarHBondContact O-N 2.94Å; A39-V43 VanDerWaalsContact O-N 3.09Å; A39-W44 HydrophobicContact CB-CE3 3.79Å; A39-W44 HydrophobicContact CB-CZ3 3.66Å; A39-W44 PolarHBondContact O-N 3.41Å; A39-W44 VanDerWaalsContact O-N 3.16Å; A39-I74 HydrophobicContact CB-CD1 4.16Å; A39-F191 HydrophobicContact CB-CD1 4.02Å; A39-F191 HydrophobicContact CB-CE1 4.17Å; A39-F191 HydrophobicContact CB-CG 4.38Å
40	A	82.8	Confident	87.1	Confident	37 Å²	37	57.1 Å²	57.1	31%	0.306	31%	0.311	S	S	.	.	H	α-helix	trans	-56.6	-40.1	-175.5	0	0	0	0	0	113.1	L36 V38 G45 I74	L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.29Å; L36-A40 VanDerWaalsContact O-N 3.07Å; V38-A40 PolarHBondContact O-N 2.89Å; A40-G45 PolarHBondContact O-N 3Å; A40-I74 HydrophobicContact CB-CD1 3.8Å; A40-I74 HydrophobicContact CB-CG1 3.64Å
41	K	82.8	Confident	87.8	Confident	165 Å²	165	53 Å²	53	72%	0.717	29%	0.29	S	S	*	.	H	α-helix	trans	-89.3	-49	-177.5	-66.3	-174.3	177.4	-175.7	0	111.9	A39 G45	A39-K41 VanDerWaalsContact C-N 3.26Å; A39-K41 PolarHBondContact O-N 3.46Å; K41-G45 WeakPolarHBondContact O-CA 3.43Å; K41-G45 PolarHBondContact O-N 3.08Å
42	E	88	Confident	88.3	Confident	126 Å²	126	52.4 Å²	52.4	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-80.6	-29.2	-167.9	-63.5	-60	150.2	0	0	114.1	V38 R184	V38-E42 PolarHBondContact O-N 3.35Å; E42-R184 PolarHBondContact O-NH1 3.43Å
43	V	90	Very high	88.8	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.024	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-37.3	-169.5	-175.8	0	0	0	0	112.4	A39 E187 K188 F191	A39-V43 PolarHBondContact O-N 2.94Å; A39-V43 VanDerWaalsContact O-N 3.09Å; V43-E187 HydrophobicContact CG1-CB 4.4Å; V43-E187 HydrophobicContact CG1-CG 3.9Å; V43-E187 HydrophobicContact CG2-CG 3.98Å; V43-E187 VanDerWaalsContact CG2-OE1 3.28Å; V43-E187 WeakPolarHBondContact CG2-OE1 3.29Å; V43-K188 HydrophobicContact CG1-CG 3.66Å; V43-K188 WeakPolarHBondContact O-CE 3.19Å; V43-F191 HydrophobicContact CG1-CD2 4.33Å; V43-F191 HydrophobicContact CG2-CD2 3.95Å; V43-F191 HydrophobicContact CG2-CE2 3.55Å; V43-F191 HydrophobicContact CG2-CZ 4.22Å
44	W	91.7	Very high	89.3	Confident	8 Å²	8	58 Å²	58	3%	0.03	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-2.9	177.9	-79.3	-92.9	0	0	0	113.6	A39 D46 E47 H73 I74 W77 K188 F191	A39-W44 HydrophobicContact CB-CE3 3.79Å; A39-W44 HydrophobicContact CB-CZ3 3.66Å; A39-W44 PolarHBondContact O-N 3.41Å; A39-W44 VanDerWaalsContact O-N 3.16Å; W44-D46 PolarHBondContact O-N 3.15Å; W44-E47 VanDerWaalsContact CD1-OE2 3.27Å; W44-E47 WeakPolarHBondContact O-CB 3.4Å; W44-E47 VanDerWaalsContact O-CG 3.23Å; W44-E47 WeakPolarHBondContact O-CG 3.48Å; W44-E47 PolarHBondContact O-N 3.39Å; W44-H73 HydrophobicContact CZ2-CB 3.93Å; W44-H73 AromaticContact CZ2-ND1 3.81Å; W44-H73 AromaticContact NE1-CG 3.92Å; W44-I74 HydrophobicContact CB-CB 4.35Å; W44-I74 HydrophobicContact CB-CG2 4.18Å; W44-I74 HydrophobicContact CG-CB 4.25Å; W44-I74 HydrophobicContact CG-CG2 4.41Å; W44-W77 AromaticContact CH2-CH2 3.49Å; W44-W77 HydrophobicContact CH2-CH2 3.49Å; W44-W77 VanDerWaalsContact CH2-CH2 3.49Å; W44-W77 AromaticContact CH2-CZ3 3.65Å; W44-W77 HydrophobicContact CH2-CZ3 3.65Å; W44-W77 AromaticContact CZ2-CH2 3.77Å; W44-W77 HydrophobicContact CZ2-CH2 3.77Å; W44-W77 HydrophobicContact CZ2-CZ3 4.07Å; W44-W77 HydrophobicContact CZ3-CH2 4.28Å; W44-W77 AromaticContact CZ3-CZ3 3.98Å; W44-W77 HydrophobicContact CZ3-CZ3 3.98Å; W44-K188 HydrophobicContact CD2-CG 4.42Å; W44-K188 HydrophobicContact CH2-CB 4.14Å; W44-K188 HydrophobicContact CH2-CG 4.11Å; W44-K188 HydrophobicContact CZ2-CB 3.83Å; W44-K188 HydrophobicContact CZ2-CD 4.43Å; W44-K188 HydrophobicContact CZ2-CG 3.73Å; W44-F191 HydrophobicContact CH2-CB 3.6Å; W44-F191 HydrophobicContact CH2-CG 4.4Å; W44-F191 HydrophobicContact CZ3-CB 3.76Å; W44-F191 HydrophobicContact CZ3-CD2 4.29Å; W44-F191 HydrophobicContact CZ3-CG 4.09Å
45	G	88.7	Confident	89.9	Confident	47 Å²	47	54.8 Å²	54.8	49%	0.485	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-42.2	-178.8	0	0	0	0	0	113.7	A40 K41	A40-G45 PolarHBondContact O-N 3Å; K41-G45 WeakPolarHBondContact O-CA 3.43Å; K41-G45 PolarHBondContact O-N 3.08Å
46	D	89.1	Confident	90.5	Very high	78 Å²	78	62.5 Å²	62.5	42%	0.417	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	22.7	-177.6	-55.2	-46.5	0	0	0	112.3	W44 Q48 A49 D50	W44-D46 PolarHBondContact O-N 3.15Å; D46-Q48 VanDerWaalsContact C-N 3.33Å; D46-Q48 PolarHBondContact O-N 3.17Å; D46-A49 HydrophobicContact CB-CB 4.26Å; D46-A49 PolarHBondContact O-N 3.4Å; D46-D50 PolarHBondContact O-N 2.5Å
47	E	90.8	Very high	90.9	Very high	23 Å²	23	66.5 Å²	66.5	11%	0.107	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-40.2	-172.1	63.6	176.6	168	0	0	113.6	W44 F51 Y65 S72	W44-E47 VanDerWaalsContact CD1-OE2 3.27Å; W44-E47 WeakPolarHBondContact O-CB 3.4Å; W44-E47 VanDerWaalsContact O-CG 3.23Å; W44-E47 WeakPolarHBondContact O-CG 3.48Å; W44-E47 PolarHBondContact O-N 3.39Å; E47-F51 WeakPolarHBondContact O-CB 3.46Å; E47-Y65 HydrophobicContact CG-CE2 4.38Å; E47-Y65 WeakPolarHBondContact CG-OH 3.41Å; E47-Y65 PolarHBondContact OE1-OH 2.53Å; E47-Y65 PolarHBondContact OE2-OH 3.5Å; E47-Y65 VanDerWaalsContact OE2-OH 3.14Å; E47-S72 WeakPolarHBondContact OE1-CB 3.49Å; E47-S72 WeakPolarHBondContact OE2-CB 3.35Å
48	Q	91.3	Very high	91.4	Very high	97 Å²	97	68.3 Å²	68.3	45%	0.453	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-30.6	178.1	-171.6	176.9	-3.8	0	0	111.8	D46 K61 Y65	D46-Q48 VanDerWaalsContact C-N 3.33Å; D46-Q48 PolarHBondContact O-N 3.17Å; Q48-K61 WeakPolarHBondContact O-CE 3.42Å; Q48-K61 PolarHBondContact O-NZ 3.31Å; Q48-Y65 HydrophobicContact CB-CD1 4.45Å; Q48-Y65 HydrophobicContact CB-CD2 4.37Å; Q48-Y65 HydrophobicContact CB-CE1 4.15Å; Q48-Y65 HydrophobicContact CB-CE2 4.05Å; Q48-Y65 HydrophobicContact CG-CD1 4.02Å; Q48-Y65 HydrophobicContact CG-CD2 4.35Å; Q48-Y65 HydrophobicContact CG-CE1 4.17Å; Q48-Y65 HydrophobicContact CG-CE2 4.49Å; Q48-Y65 HydrophobicContact CG-CG 4.13Å
49	A	92.6	Very high	91.9	Very high	63 Å²	63	66.6 Å²	66.6	52%	0.521	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-50.2	178.8	0	0	0	0	0	110.7	D46 F51 K61	D46-A49 HydrophobicContact CB-CB 4.26Å; D46-A49 PolarHBondContact O-N 3.4Å; A49-F51 PolarHBondContact O-N 3.41Å; A49-K61 PolarHBondContact O-NZ 2.73Å
50	D	93.7	Very high	92.4	Very high	83 Å²	83	66.6 Å²	66.6	44%	0.444	38%	0.381	S	S	.	.	S	Bend	trans	-91.2	6.5	-176.4	-71.7	-9.9	0	0	0	113.8	D46 V52 S183	D46-D50 PolarHBondContact O-N 2.5Å; D50-V52 PolarHBondContact O-N 3.35Å; D50-S183 VanDerWaalsContact CB-CB 3.42Å
51	F	95.4	Very high	93	Very high	1 Å²	1	68 Å²	68	0%	0.004	38%	0.38	C	S	.	.			trans	-75.4	115.2	168.7	-174.7	-109	0	0	0	109.6	E47 A49 C53 K61 C64 Y65 F69 V167 C180 F181 V182	E47-F51 WeakPolarHBondContact O-CB 3.46Å; A49-F51 PolarHBondContact O-N 3.41Å; F51-C53 VanDerWaalsContact CE1-SG 3.56Å; F51-K61 HydrophobicContact CD1-CG 4.1Å; F51-K61 VanDerWaalsContact O-CD 3.26Å; F51-K61 WeakPolarHBondContact O-CD 3.42Å; F51-K61 WeakPolarHBondContact O-CE 3.28Å; F51-K61 PolarHBondContact O-NZ 2.9Å; F51-C64 HydrophobicContact CE1-CB 3.96Å; F51-C64 HydrophobicContact CZ-CB 4.26Å; F51-Y65 HydrophobicContact CB-CD2 3.99Å; F51-Y65 AromaticContact CD1-CD2 3.97Å; F51-Y65 HydrophobicContact CD1-CD2 3.97Å; F51-Y65 HydrophobicContact CD1-CG 4.33Å; F51-Y65 HydrophobicContact CD2-CD2 4.34Å; F51-Y65 AromaticContact CG-CD2 3.86Å; F51-Y65 HydrophobicContact CG-CD2 3.86Å; F51-F69 HydrophobicContact CD2-CE2 4.37Å; F51-F69 HydrophobicContact CE2-CE2 4.03Å; F51-V167 HydrophobicContact CE2-CG2 4.1Å; F51-V167 HydrophobicContact CZ-CG2 4.1Å; F51-C180 HydrophobicContact CE1-CB 3.95Å; F51-C180 HydrophobicContact CE2-CB 3.83Å; F51-C180 HydrophobicContact CZ-CB 3.36Å; F51-F181 WeakPolarHBondContact CD2-O 3.41Å; F51-V182 HydrophobicContact CD2-CG2 4.4Å; F51-V182 HydrophobicContact CE2-CG2 4.14Å
52	V	96.3	Very high	93.7	Very high	84 Å²	84	64.7 Å²	64.7	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.5	-173.4	179.6	0	0	0	0	110	D50 C180 F181	D50-V52 PolarHBondContact O-N 3.35Å; V52-C180 CarbonylContact O-C 3.57Å; V52-C180 VanDerWaalsContact O-CA 3.28Å; V52-C180 WeakPolarHBondContact O-CA 3.35Å; V52-F181 PolarHBondContact N-O 3.3Å; V52-F181 PolarHBondContact O-N 2.87Å
53	C	96.9	Very high	94.1	Very high	13 Å²	13	61.1 Å²	61.1	9%	0.088	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.8	172.4	-63.4	0	0	0	0	110.2	F51 T55 D179 C180	F51-C53 VanDerWaalsContact CE1-SG 3.56Å; C53-T55 HydrophobicContact CB-CG2 3.82Å; C53-T55 PolarHBondContact O-N 2.96Å; C53-D179 CarbonylContact C-O 3.59Å; C53-D179 WeakPolarHBondContact CA-O 3.4Å; C53-C180 HydrophobicContact CB-CB 4.07Å; C53-C180 WeakPolarHBondContact CB-SG 3.33Å; C53-C180 WeakPolarHBondContact SG-CB 3.31Å; C53-C180 CovalentContact SG-SG 2.05Å; C53-C180 PolarHBondContact SG-SG 2.92Å
54	N	96.5	Very high	94.4	Very high	125 Å²	125	61 Å²	61	67%	0.668	36%	0.356	S	S	*	.	S	Bend	trans	-76	75.4	174.9	-174	9	0	0	0	110.3	D179	N54-D179 PolarHBondContact N-O 2.81Å
55	T	95.7	Very high	94.6	Very high	37 Å²	37	61.6 Å²	61.6	23%	0.227	36%	0.359	C	S	.	.			trans	-161.3	146.5	-178.5	-174.3	0	0	0	0	110.8	C53 Q57 C60	C53-T55 HydrophobicContact CB-CG2 3.82Å; C53-T55 PolarHBondContact O-N 2.96Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.3Å; T55-Q57 PolarHBondContact OG1-N 3.38Å; T55-Q57 VanDerWaalsContact OG1-N 3.16Å; T55-C60 HydrophobicContact CG2-CB 3.88Å
56	L	95.3	Very high	94.9	Very high	179 Å²	179	64.2 Å²	64.2	94%	0.937	36%	0.362	S	S	*	.			trans	-95.1	-1.5	171.7	-62.3	174.2	0	0	0	112.1	P58	L56-P58 VanDerWaalsContact O-CD 3.31Å; L56-P58 WeakPolarHBondContact O-CD 3.38Å
57	Q	95.4	Very high	95.2	Very high	88 Å²	88	66.3 Å²	66.3	41%	0.411	37%	0.369	S	S	.	.			trans	-73	119.3	-176.1	-176.6	62.3	24.7	0	0	111.3	T55 C60 P173 P175	T55-Q57 WeakPolarHBondContact OG1-CB 3.3Å; T55-Q57 PolarHBondContact OG1-N 3.38Å; T55-Q57 VanDerWaalsContact OG1-N 3.16Å; Q57-C60 HydrophobicContact CB-CB 4.19Å; Q57-C60 HydrophobicContact CG-CB 4.36Å; Q57-C60 WeakPolarHBondContact O-CB 3.27Å; Q57-C60 PolarHBondContact O-N 3.39Å; Q57-P173 VanDerWaalsContact CG-O 3.26Å; Q57-P173 WeakPolarHBondContact CG-O 3.44Å; Q57-P175 HydrophobicContact CB-CG 4.34Å
58	P	95.9	Very high	95.3	Very high	102 Å²	102	68.1 Å²	68.1	66%	0.662	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	139.9	177.7	-24	35.1	0	0	0	112.1	L56 C60	L56-P58 VanDerWaalsContact O-CD 3.31Å; L56-P58 WeakPolarHBondContact O-CD 3.38Å; P58-C60 PolarHBondContact O-N 3.43Å
59	G	95.4	Very high	95.4	Very high	39 Å²	39	64.2 Å²	64.2	40%	0.402	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-20.2	178.5	0	0	0	0	0	115.4	K61 N62 V63	G59-K61 PolarHBondContact O-N 3.01Å; G59-N62 PolarHBondContact O-N 2.92Å; G59-N62 VanDerWaalsContact O-N 3.09Å; G59-V63 PolarHBondContact O-N 2.83Å; G59-V63 VanDerWaalsContact O-N 3.16Å
60	C	96.8	Very high	95.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-44.5	-178.6	175.8	0	0	0	0	112.5	T55 Q57 P58 N62 V63 C64 C174	T55-C60 HydrophobicContact CG2-CB 3.88Å; Q57-C60 HydrophobicContact CB-CB 4.19Å; Q57-C60 HydrophobicContact CG-CB 4.36Å; Q57-C60 WeakPolarHBondContact O-CB 3.27Å; Q57-C60 PolarHBondContact O-N 3.39Å; P58-C60 PolarHBondContact O-N 3.43Å; C60-N62 VanDerWaalsContact C-N 3.29Å; C60-N62 PolarHBondContact O-N 3.29Å; C60-V63 PolarHBondContact O-N 3.22Å; C60-C64 WeakPolarHBondContact O-CB 3.45Å; C60-C64 PolarHBondContact O-N 3.32Å; C60-C64 PolarHBondContact O-SG 3.28Å; C60-C174 VanDerWaalsContact CA-SG 3.52Å; C60-C174 HydrophobicContact CB-CB 4.08Å; C60-C174 WeakPolarHBondContact CB-SG 3.47Å; C60-C174 WeakPolarHBondContact SG-CB 3.25Å; C60-C174 CovalentContact SG-SG 2.03Å; C60-C174 PolarHBondContact SG-SG 3.3Å
61	K	95.8	Very high	95.5	Very high	65 Å²	65	63.1 Å²	63.1	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-52.9	-45.2	174.1	172.9	177.5	164.6	156.9	0	112.5	Q48 A49 F51 G59 Y65	Q48-K61 WeakPolarHBondContact O-CE 3.42Å; Q48-K61 PolarHBondContact O-NZ 3.31Å; A49-K61 PolarHBondContact O-NZ 2.73Å; F51-K61 HydrophobicContact CD1-CG 4.1Å; F51-K61 VanDerWaalsContact O-CD 3.26Å; F51-K61 WeakPolarHBondContact O-CD 3.42Å; F51-K61 WeakPolarHBondContact O-CE 3.28Å; F51-K61 PolarHBondContact O-NZ 2.9Å; G59-K61 PolarHBondContact O-N 3.01Å; K61-Y65 WeakPolarHBondContact O-CB 3.44Å; K61-Y65 PolarHBondContact O-N 2.89Å
62	N	96.3	Very high	95.4	Very high	96 Å²	96	63.2 Å²	63.2	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-68.5	-45.1	-175.2	-70	-0.3	0	0	0	111.4	G59 C60 Y65 D66	G59-N62 PolarHBondContact O-N 2.92Å; G59-N62 VanDerWaalsContact O-N 3.09Å; C60-N62 VanDerWaalsContact C-N 3.29Å; C60-N62 PolarHBondContact O-N 3.29Å; N62-Y65 PolarHBondContact O-N 2.92Å; N62-D66 WeakPolarHBondContact O-CB 3.46Å; N62-D66 PolarHBondContact O-N 2.92Å
63	V	96.9	Very high	95.1	Very high	52 Å²	52	59.4 Å²	59.4	32%	0.315	32%	0.322	S	S	.	.	H	α-helix	trans	-70.2	-38.6	179.7	-173.8	0	0	0	0	111.1	G59 C60 Y65 D66 H67 A171 W172	G59-V63 PolarHBondContact O-N 2.83Å; G59-V63 VanDerWaalsContact O-N 3.16Å; C60-V63 PolarHBondContact O-N 3.22Å; V63-Y65 VanDerWaalsContact C-N 3.34Å; V63-Y65 PolarHBondContact O-N 3.19Å; V63-D66 PolarHBondContact O-N 3.22Å; V63-H67 VanDerWaalsContact O-CB 3.26Å; V63-H67 WeakPolarHBondContact O-CB 3.39Å; V63-H67 PolarHBondContact O-N 3.36Å; V63-A171 HydrophobicContact CB-CB 4.5Å; V63-A171 HydrophobicContact CG1-CB 3.65Å; V63-W172 WeakPolarHBondContact CG1-O 3.48Å
64	C	96.6	Very high	94.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-40.7	175.3	-67.8	0	0	0	0	112.3	F51 C60 H67 Y68 C169 C174	F51-C64 HydrophobicContact CE1-CB 3.96Å; F51-C64 HydrophobicContact CZ-CB 4.26Å; C60-C64 WeakPolarHBondContact O-CB 3.45Å; C60-C64 PolarHBondContact O-N 3.32Å; C60-C64 PolarHBondContact O-SG 3.28Å; C64-H67 PolarHBondContact O-N 2.94Å; C64-Y68 WeakPolarHBondContact O-CD2 3.49Å; C64-Y68 PolarHBondContact O-N 3.43Å; C64-C169 WeakPolarHBondContact CA-SG 3.45Å; C64-C169 HydrophobicContact CB-CB 3.71Å; C64-C169 WeakPolarHBondContact CB-SG 3.33Å; C64-C169 WeakPolarHBondContact SG-CB 3.39Å; C64-C169 CovalentContact SG-SG 2.02Å; C64-C169 PolarHBondContact SG-SG 2.97Å; C64-C174 PolarHBondContact SG-SG 3.46Å
65	Y	95.4	Very high	94.7	Very high	21 Å²	21	61.6 Å²	61.6	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-49.3	175.1	179.7	-93	0	0	0	111.1	E47 Q48 F51 K61 N62 V63 H67 Y68 F69	E47-Y65 HydrophobicContact CG-CE2 4.38Å; E47-Y65 WeakPolarHBondContact CG-OH 3.41Å; E47-Y65 PolarHBondContact OE1-OH 2.53Å; E47-Y65 PolarHBondContact OE2-OH 3.5Å; E47-Y65 VanDerWaalsContact OE2-OH 3.14Å; Q48-Y65 HydrophobicContact CB-CD1 4.45Å; Q48-Y65 HydrophobicContact CB-CD2 4.37Å; Q48-Y65 HydrophobicContact CB-CE1 4.15Å; Q48-Y65 HydrophobicContact CB-CE2 4.05Å; Q48-Y65 HydrophobicContact CG-CD1 4.02Å; Q48-Y65 HydrophobicContact CG-CD2 4.35Å; Q48-Y65 HydrophobicContact CG-CE1 4.17Å; Q48-Y65 HydrophobicContact CG-CE2 4.49Å; Q48-Y65 HydrophobicContact CG-CG 4.13Å; F51-Y65 HydrophobicContact CB-CD2 3.99Å; F51-Y65 AromaticContact CD1-CD2 3.97Å; F51-Y65 HydrophobicContact CD1-CD2 3.97Å; F51-Y65 HydrophobicContact CD1-CG 4.33Å; F51-Y65 HydrophobicContact CD2-CD2 4.34Å; F51-Y65 AromaticContact CG-CD2 3.86Å; F51-Y65 HydrophobicContact CG-CD2 3.86Å; K61-Y65 WeakPolarHBondContact O-CB 3.44Å; K61-Y65 PolarHBondContact O-N 2.89Å; N62-Y65 PolarHBondContact O-N 2.92Å; V63-Y65 VanDerWaalsContact C-N 3.34Å; V63-Y65 PolarHBondContact O-N 3.19Å; Y65-H67 VanDerWaalsContact C-N 3.33Å; Y65-H67 PolarHBondContact O-N 3.43Å; Y65-Y68 PolarHBondContact O-N 3.12Å; Y65-F69 AromaticContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CE1-CB 4.39Å; Y65-F69 HydrophobicContact CE2-CB 4.25Å; Y65-F69 AromaticContact CE2-CD2 3.83Å; Y65-F69 HydrophobicContact CE2-CD2 3.83Å; Y65-F69 HydrophobicContact CE2-CG 4.27Å; Y65-F69 WeakPolarHBondContact O-CA 3.32Å; Y65-F69 WeakPolarHBondContact O-CB 3.5Å; Y65-F69 PolarHBondContact O-N 3.43Å
66	D	95.6	Very high	94.6	Very high	103 Å²	103	60.1 Å²	60.1	55%	0.551	31%	0.312	S	S	*	.	H	α-helix	trans	-61.7	-39.4	179.2	-173.3	70.6	0	0	0	112.6	N62 V63 F69 P70	N62-D66 WeakPolarHBondContact O-CB 3.46Å; N62-D66 PolarHBondContact O-N 2.92Å; V63-D66 PolarHBondContact O-N 3.22Å; D66-F69 CarbonylContact O-C 3.54Å; D66-P70 VanDerWaalsContact O-CA 3.24Å; D66-P70 WeakPolarHBondContact O-CA 3.45Å; D66-P70 VanDerWaalsContact O-N 3.11Å
67	H	94.3	Very high	94.5	Very high	122 Å²	122	51.8 Å²	51.8	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-65.8	-42.7	179.9	-174.3	67.5	0	0	0	113.1	V63 C64 Y65	V63-H67 VanDerWaalsContact O-CB 3.26Å; V63-H67 WeakPolarHBondContact O-CB 3.39Å; V63-H67 PolarHBondContact O-N 3.36Å; C64-H67 PolarHBondContact O-N 2.94Å; Y65-H67 VanDerWaalsContact C-N 3.33Å; Y65-H67 PolarHBondContact O-N 3.43Å
68	Y	93.5	Very high	94.3	Very high	60 Å²	60	48.6 Å²	48.6	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-87.2	-25.4	-179.3	-80	-78.9	0	0	0	113.6	C64 Y65 P70 V167 K168 C169	C64-Y68 WeakPolarHBondContact O-CD2 3.49Å; C64-Y68 PolarHBondContact O-N 3.43Å; Y65-Y68 PolarHBondContact O-N 3.12Å; Y68-P70 VanDerWaalsContact C-CD 3.44Å; Y68-V167 HydrophobicContact CD1-CB 3.92Å; Y68-V167 HydrophobicContact CD1-CG1 3.87Å; Y68-V167 HydrophobicContact CD1-CG2 4.36Å; Y68-V167 HydrophobicContact CD2-CB 4.06Å; Y68-V167 HydrophobicContact CD2-CG2 3.74Å; Y68-V167 HydrophobicContact CE1-CB 3.72Å; Y68-V167 HydrophobicContact CE1-CG1 3.99Å; Y68-V167 HydrophobicContact CE1-CG2 4.46Å; Y68-V167 HydrophobicContact CE2-CB 3.85Å; Y68-V167 HydrophobicContact CE2-CG2 3.85Å; Y68-V167 HydrophobicContact CG-CB 4.09Å; Y68-V167 HydrophobicContact CG-CG1 4.26Å; Y68-V167 HydrophobicContact CG-CG2 4.01Å; Y68-K168 VanDerWaalsContact OH-C 3.25Å; Y68-K168 PolarHBondContact OH-N 2.85Å; Y68-K168 PolarHBondContact OH-O 2.88Å; Y68-C169 HydrophobicContact CE2-CB 3.88Å
69	F	93.5	Very high	94.2	Very high	15 Å²	15	47.2 Å²	47.2	7%	0.066	24%	0.243	C	C	.	.			trans	-128.8	61	-179.8	-53.9	-73.8	0	0	0	111.5	F51 Y65 D66 I71 M163 V182	F51-F69 HydrophobicContact CD2-CE2 4.37Å; F51-F69 HydrophobicContact CE2-CE2 4.03Å; Y65-F69 AromaticContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CD2-CD2 3.84Å; Y65-F69 HydrophobicContact CE1-CB 4.39Å; Y65-F69 HydrophobicContact CE2-CB 4.25Å; Y65-F69 AromaticContact CE2-CD2 3.83Å; Y65-F69 HydrophobicContact CE2-CD2 3.83Å; Y65-F69 HydrophobicContact CE2-CG 4.27Å; Y65-F69 WeakPolarHBondContact O-CA 3.32Å; Y65-F69 WeakPolarHBondContact O-CB 3.5Å; Y65-F69 PolarHBondContact O-N 3.43Å; D66-F69 CarbonylContact O-C 3.54Å; F69-I71 PolarHBondContact O-N 3.41Å; F69-I71 VanDerWaalsContact O-N 3.16Å; F69-M163 HydrophobicContact CE1-CE 3.27Å; F69-M163 HydrophobicContact CE1-SD 3.66Å; F69-M163 HydrophobicContact CZ-CE 3.28Å; F69-M163 HydrophobicContact CZ-SD 4.14Å; F69-V182 HydrophobicContact CE2-CG2 4.08Å; F69-V182 HydrophobicContact CZ-CG1 4.06Å; F69-V182 HydrophobicContact CZ-CG2 3.76Å
70	P	93.7	Very high	94.1	Very high	66 Å²	66	45.7 Å²	45.7	43%	0.429	23%	0.225	S	C	.	.	S	Bend	trans	-59.7	-33.3	-177.4	24.9	-35.2	0	0	0	111.8	D66 Y68 M157	D66-P70 VanDerWaalsContact O-CA 3.24Å; D66-P70 WeakPolarHBondContact O-CA 3.45Å; D66-P70 VanDerWaalsContact O-N 3.11Å; Y68-P70 VanDerWaalsContact C-CD 3.44Å; P70-M157 HydrophobicContact CG-CG 4.23Å; P70-M157 HydrophobicContact CG-SD 4.03Å
71	I	94.1	Very high	93.9	Very high	57 Å²	57	45.8 Å²	45.8	29%	0.292	23%	0.226	S	C	.	.	S	Bend	trans	-127.6	131	167	-56.7	175.7	0	0	0	105.8	F69 R75 L76 M157 Y158	F69-I71 PolarHBondContact O-N 3.41Å; F69-I71 VanDerWaalsContact O-N 3.16Å; I71-R75 HydrophobicContact CG2-CB 3.84Å; I71-L76 HydrophobicContact CG2-CB 4.18Å; I71-M157 HydrophobicContact CB-SD 4.44Å; I71-Y158 PolarHBondContact O-OH 3.43Å
72	S	92.6	Very high	93.7	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.021	23%	0.231	C	C	.	.			trans	-63.7	145.4	171.8	63.6	0	0	0	0	110.4	E47 I74 R75 L76	E47-S72 WeakPolarHBondContact OE1-CB 3.49Å; E47-S72 WeakPolarHBondContact OE2-CB 3.35Å; S72-I74 PolarHBondContact O-N 2.85Å; S72-I74 VanDerWaalsContact O-N 3.12Å; S72-R75 PolarHBondContact O-N 2.91Å; S72-R75 VanDerWaalsContact OG-CB 3.29Å; S72-R75 WeakPolarHBondContact OG-CB 3.38Å; S72-R75 WeakPolarHBondContact OG-CD 3.3Å; S72-R75 WeakPolarHBondContact OG-CG 3.47Å; S72-R75 PolarHBondContact OG-N 3.37Å; S72-R75 PolarHBondContact OG-NE 3.13Å; S72-L76 PolarHBondContact O-N 2.96Å; S72-L76 VanDerWaalsContact O-N 3.15Å
73	H	91.9	Very high	93.6	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-52.9	-41.4	-179.9	-64.4	-169.6	0	0	0	111.8	W44 R75 L76 W77 F154 Y158 T192	W44-H73 HydrophobicContact CZ2-CB 3.93Å; W44-H73 AromaticContact CZ2-ND1 3.81Å; W44-H73 AromaticContact NE1-CG 3.92Å; H73-R75 VanDerWaalsContact C-N 3.34Å; H73-R75 PolarHBondContact O-N 3.32Å; H73-L76 PolarHBondContact O-N 3.37Å; H73-L76 VanDerWaalsContact O-N 3.16Å; H73-W77 HydrophobicContact CB-CH2 4.32Å; H73-W77 HydrophobicContact CB-CZ2 4.11Å; H73-W77 PolarHBondContact O-N 3.4Å; H73-F154 HydrophobicContact CB-CE2 4.1Å; H73-F154 AromaticContact CE1-CZ 3.88Å; H73-F154 AromaticContact CG-CE2 3.91Å; H73-F154 AromaticContact CG-CZ 3.95Å; H73-F154 AromaticContact ND1-CZ 3.64Å; H73-Y158 AromaticContact CD2-CD1 3.69Å; H73-Y158 AromaticContact CD2-CD2 3.89Å; H73-Y158 AromaticContact CD2-CE1 3.31Å; H73-Y158 WeakPolarHBondContact CD2-CE1 3.48Å; H73-Y158 AromaticContact CD2-CE2 3.53Å; H73-Y158 AromaticContact CD2-CG 3.96Å; H73-Y158 AromaticContact CD2-CZ 3.21Å; H73-Y158 AromaticContact NE2-CD1 3.29Å; H73-Y158 VanDerWaalsContact NE2-CD1 3.29Å; H73-Y158 WeakPolarHBondContact NE2-CD1 3.1Å; H73-Y158 AromaticContact NE2-CD2 3.76Å; H73-Y158 AromaticContact NE2-CE1 3.45Å; H73-Y158 WeakPolarHBondContact NE2-CE1 3.37Å; H73-Y158 AromaticContact NE2-CE2 3.9Å; H73-Y158 AromaticContact NE2-CG 3.45Å; H73-Y158 AromaticContact NE2-CZ 3.75Å; H73-T192 PolarHBondContact ND1-OG1 3.45Å
74	I	90.9	Very high	93.4	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.108	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-39	-178.1	-162.9	77.1	0	0	0	112.6	L36 A39 A40 W44 S72 W77 A78	L36-I74 HydrophobicContact CD2-CD1 3.64Å; L36-I74 HydrophobicContact CD2-CG1 4.18Å; A39-I74 HydrophobicContact CB-CD1 4.16Å; A40-I74 HydrophobicContact CB-CD1 3.8Å; A40-I74 HydrophobicContact CB-CG1 3.64Å; W44-I74 HydrophobicContact CB-CB 4.35Å; W44-I74 HydrophobicContact CB-CG2 4.18Å; W44-I74 HydrophobicContact CG-CB 4.25Å; W44-I74 HydrophobicContact CG-CG2 4.41Å; S72-I74 PolarHBondContact O-N 2.85Å; S72-I74 VanDerWaalsContact O-N 3.12Å; I74-W77 HydrophobicContact CD1-CE3 4.14Å; I74-W77 PolarHBondContact O-N 3.5Å; I74-A78 WeakPolarHBondContact O-CB 3.4Å; I74-A78 PolarHBondContact O-N 2.84Å
75	R	92.7	Very high	93.1	Very high	162 Å²	162	43.8 Å²	43.8	61%	0.611	21%	0.212	S	C	*	.	H	α-helix	trans	-67.6	-40.4	175.2	-71	172.5	-161.1	-178.6	4.7	110.8	I71 S72 H73 A78 L79	I71-R75 HydrophobicContact CG2-CB 3.84Å; S72-R75 PolarHBondContact O-N 2.91Å; S72-R75 VanDerWaalsContact OG-CB 3.29Å; S72-R75 WeakPolarHBondContact OG-CB 3.38Å; S72-R75 WeakPolarHBondContact OG-CD 3.3Å; S72-R75 WeakPolarHBondContact OG-CG 3.47Å; S72-R75 PolarHBondContact OG-N 3.37Å; S72-R75 PolarHBondContact OG-NE 3.13Å; H73-R75 VanDerWaalsContact C-N 3.34Å; H73-R75 PolarHBondContact O-N 3.32Å; R75-A78 PolarHBondContact O-N 2.92Å; R75-L79 WeakPolarHBondContact O-CG 3.24Å; R75-L79 PolarHBondContact O-N 3.19Å
76	L	93.2	Very high	92.9	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-41.5	177.4	-168.4	63.8	0	0	0	111.5	I71 S72 H73 L79 Q80 F150 V153 F154 Y158	I71-L76 HydrophobicContact CG2-CB 4.18Å; S72-L76 PolarHBondContact O-N 2.96Å; S72-L76 VanDerWaalsContact O-N 3.15Å; H73-L76 PolarHBondContact O-N 3.37Å; H73-L76 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3.35Å; L76-Q80 WeakPolarHBondContact O-CB 3.42Å; L76-Q80 PolarHBondContact O-N 3Å; L76-F150 HydrophobicContact CD1-CD1 3.84Å; L76-F150 HydrophobicContact CD1-CE1 3.89Å; L76-F150 HydrophobicContact CG-CD1 4.25Å; L76-V153 HydrophobicContact CD1-CG1 4.45Å; L76-V153 HydrophobicContact CD2-CG1 4.35Å; L76-F154 HydrophobicContact CD2-CB 4.18Å; L76-F154 HydrophobicContact CD2-CD2 3.85Å; L76-F154 HydrophobicContact CD2-CG 4.45Å; L76-Y158 HydrophobicContact CD2-CE2 3.81Å
77	W	93.1	Very high	92.7	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-35.9	173.9	-65.2	-20.6	0	0	0	113.2	L36 W44 H73 I74 Q80 L81 F154 F191 T192 M195	L36-W77 HydrophobicContact CD2-CB 3.56Å; L36-W77 HydrophobicContact CD2-CE3 4.38Å; W44-W77 AromaticContact CH2-CH2 3.49Å; W44-W77 HydrophobicContact CH2-CH2 3.49Å; W44-W77 VanDerWaalsContact CH2-CH2 3.49Å; W44-W77 AromaticContact CH2-CZ3 3.65Å; W44-W77 HydrophobicContact CH2-CZ3 3.65Å; W44-W77 AromaticContact CZ2-CH2 3.77Å; W44-W77 HydrophobicContact CZ2-CH2 3.77Å; W44-W77 HydrophobicContact CZ2-CZ3 4.07Å; W44-W77 HydrophobicContact CZ3-CH2 4.28Å; W44-W77 AromaticContact CZ3-CZ3 3.98Å; W44-W77 HydrophobicContact CZ3-CZ3 3.98Å; H73-W77 HydrophobicContact CB-CH2 4.32Å; H73-W77 HydrophobicContact CB-CZ2 4.11Å; H73-W77 PolarHBondContact O-N 3.4Å; I74-W77 HydrophobicContact CD1-CE3 4.14Å; I74-W77 PolarHBondContact O-N 3.5Å; W77-Q80 PolarHBondContact O-N 2.72Å; W77-L81 WeakPolarHBondContact O-CB 3.45Å; W77-L81 PolarHBondContact O-N 3.4Å; W77-F154 AromaticContact CE2-CE2 3.77Å; W77-F154 AromaticContact CZ2-CE2 3.93Å; W77-F154 HydrophobicContact CZ2-CE2 3.93Å; W77-F154 HydrophobicContact CZ2-CZ 4.11Å; W77-F154 AromaticContact NE1-CD2 3.54Å; W77-F154 AromaticContact NE1-CE2 3.21Å; W77-F191 HydrophobicContact CH2-CB 4.37Å; W77-T192 HydrophobicContact CZ2-CG2 4.22Å; W77-T192 WeakPolarHBondContact CZ2-OG1 3.38Å; W77-M195 HydrophobicContact CB-CE 3.86Å; W77-M195 HydrophobicContact CD2-CB 4.23Å; W77-M195 HydrophobicContact CD2-CE 3.9Å; W77-M195 HydrophobicContact CD2-CG 3.92Å; W77-M195 HydrophobicContact CE3-CE 4.15Å; W77-M195 HydrophobicContact CE3-CG 3.83Å; W77-M195 HydrophobicContact CG-CE 3.77Å; W77-M195 HydrophobicContact CH2-CB 4.32Å; W77-M195 HydrophobicContact CH2-CG 3.97Å; W77-M195 HydrophobicContact CZ2-CB 3.95Å; W77-M195 HydrophobicContact CZ2-CG 4.06Å; W77-M195 HydrophobicContact CZ3-CG 3.86Å
78	A	92	Very high	92.4	Very high	21 Å²	21	35.6 Å²	35.6	17%	0.174	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-44.1	173.6	0	0	0	0	0	111.1	I74 R75 L81 I82	I74-A78 WeakPolarHBondContact O-CB 3.4Å; I74-A78 PolarHBondContact O-N 2.84Å; R75-A78 PolarHBondContact O-N 2.92Å; A78-L81 PolarHBondContact O-N 3.44Å; A78-I82 VanDerWaalsContact O-CG1 3.3Å; A78-I82 WeakPolarHBondContact O-CG1 3.36Å; A78-I82 PolarHBondContact O-N 2.86Å
79	L	93.6	Very high	92.1	Very high	72 Å²	72	35 Å²	35	38%	0.377	18%	0.177	S	C	.	.	H	α-helix	trans	-60.9	-47.6	173.2	-72.1	170.8	0	0	0	111.2	R75 L76 L81 I82 F83 F150	R75-L79 WeakPolarHBondContact O-CG 3.24Å; R75-L79 PolarHBondContact O-N 3.19Å; L76-L79 PolarHBondContact O-N 3.35Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 2.89Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-I82 VanDerWaalsContact O-N 3.1Å; L79-F83 VanDerWaalsContact O-CD2 3.32Å; L79-F83 WeakPolarHBondContact O-CD2 3.41Å; L79-F83 PolarHBondContact O-N 3.43Å; L79-F150 HydrophobicContact CB-CE1 3.78Å; L79-F150 HydrophobicContact CB-CZ 3.99Å
80	Q	94.5	Very high	92	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-53.2	-47.3	175.2	-177.6	-178.2	2.7	0	0	111.1	L76 W77 I82 F83 V84 E147 F150 S199	L76-Q80 WeakPolarHBondContact O-CB 3.42Å; L76-Q80 PolarHBondContact O-N 3Å; W77-Q80 PolarHBondContact O-N 2.72Å; Q80-I82 PolarHBondContact O-N 3.4Å; Q80-F83 PolarHBondContact O-N 3Å; Q80-V84 HydrophobicContact CG-CG2 4.24Å; Q80-V84 WeakPolarHBondContact O-CB 3.24Å; Q80-V84 WeakPolarHBondContact O-CG2 3.3Å; Q80-V84 PolarHBondContact O-N 3.47Å; Q80-E147 PolarHBondContact NE2-OE2 3.28Å; Q80-F150 HydrophobicContact CB-CB 3.95Å; Q80-F150 HydrophobicContact CB-CD1 3.82Å; Q80-F150 HydrophobicContact CB-CD2 4.06Å; Q80-F150 HydrophobicContact CB-CE1 4.34Å; Q80-F150 HydrophobicContact CB-CG 3.67Å; Q80-F150 HydrophobicContact CG-CB 3.67Å; Q80-F150 HydrophobicContact CG-CD1 4.47Å; Q80-F150 HydrophobicContact CG-CD2 4.12Å; Q80-F150 HydrophobicContact CG-CG 3.85Å; Q80-S199 PolarHBondContact NE2-OG 3.15Å
81	L	91.4	Very high	91.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-42.3	178.7	-172.4	144.9	0	0	0	112.4	W3 L6 L28 R32 I33 L36 W77 A78 L79 S85	W3-L81 HydrophobicContact CZ3-CD2 4.41Å; L6-L81 HydrophobicContact CD2-CD2 3.87Å; L28-L81 HydrophobicContact CD2-CD1 3.77Å; L28-L81 HydrophobicContact CD2-CG 3.98Å; R32-L81 HydrophobicContact CB-CD1 3.99Å; I33-L81 HydrophobicContact CG1-CD1 3.6Å; L36-L81 HydrophobicContact CD1-CB 4.1Å; L36-L81 HydrophobicContact CD1-CD1 3.55Å; L36-L81 HydrophobicContact CD1-CG 4.41Å; W77-L81 WeakPolarHBondContact O-CB 3.45Å; W77-L81 PolarHBondContact O-N 3.4Å; A78-L81 PolarHBondContact O-N 3.44Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 2.89Å; L81-S85 WeakPolarHBondContact O-CB 3.5Å; L81-S85 PolarHBondContact O-N 3.24Å; L81-S85 PolarHBondContact O-OG 2.88Å
82	I	91.1	Very high	91.2	Very high	77 Å²	77	34.5 Å²	34.5	40%	0.395	17%	0.174	S	C	.	.	H	α-helix	trans	-63	-51.9	178.3	-69	163.9	0	0	0	110.6	A78 L79 Q80 V84 S85 T86	A78-I82 VanDerWaalsContact O-CG1 3.3Å; A78-I82 WeakPolarHBondContact O-CG1 3.36Å; A78-I82 PolarHBondContact O-N 2.86Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-I82 VanDerWaalsContact O-N 3.1Å; Q80-I82 PolarHBondContact O-N 3.4Å; I82-V84 PolarHBondContact O-N 2.9Å; I82-S85 PolarHBondContact O-N 2.88Å; I82-T86 WeakPolarHBondContact O-CB 3.44Å; I82-T86 PolarHBondContact O-N 3.42Å; I82-T86 PolarHBondContact O-OG1 3.34Å
83	F	94.5	Very high	91	Very high	92 Å²	92	40.8 Å²	40.8	40%	0.404	21%	0.205	S	C	.	.	H	α-helix	trans	-63.3	-41.8	-179	-85.8	-98.8	0	0	0	111.8	L79 Q80 S85 T86 P87 F146 F150	L79-F83 VanDerWaalsContact O-CD2 3.32Å; L79-F83 WeakPolarHBondContact O-CD2 3.41Å; L79-F83 PolarHBondContact O-N 3.43Å; Q80-F83 PolarHBondContact O-N 3Å; F83-S85 PolarHBondContact O-N 3.21Å; F83-T86 PolarHBondContact O-N 3.32Å; F83-P87 WeakPolarHBondContact O-CD 3.28Å; F83-F146 HydrophobicContact CB-CB 4.38Å; F83-F146 HydrophobicContact CB-CD2 4.25Å; F83-F146 HydrophobicContact CB-CG 4.18Å; F83-F146 HydrophobicContact CD1-CD1 4.17Å; F83-F146 HydrophobicContact CD1-CE1 4.01Å; F83-F146 HydrophobicContact CD1-CE2 4.48Å; F83-F146 HydrophobicContact CD1-CZ 4.18Å; F83-F146 WeakPolarHBondContact O-CD2 2.9Å; F83-F150 HydrophobicContact CB-CE2 3.66Å; F83-F150 HydrophobicContact CB-CZ 4.3Å; F83-F150 HydrophobicContact CD1-CE2 4.42Å; F83-F150 AromaticContact CD2-CE2 3.98Å; F83-F150 HydrophobicContact CD2-CE2 3.98Å; F83-F150 AromaticContact CD2-CZ 3.77Å; F83-F150 HydrophobicContact CD2-CZ 3.77Å; F83-F150 HydrophobicContact CE2-CZ 4.28Å; F83-F150 AromaticContact CG-CE2 3.77Å; F83-F150 HydrophobicContact CG-CE2 3.77Å; F83-F150 HydrophobicContact CG-CZ 4.05Å
84	V	93.1	Very high	90.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.9	-32.4	178.8	170.7	0	0	0	0	112.2	W24 L28 Q80 I82 F146 E147	W24-V84 HydrophobicContact CH2-CG1 3.89Å; W24-V84 HydrophobicContact CZ2-CG1 3.34Å; L28-V84 HydrophobicContact CD1-CG1 4.27Å; Q80-V84 HydrophobicContact CG-CG2 4.24Å; Q80-V84 WeakPolarHBondContact O-CB 3.24Å; Q80-V84 WeakPolarHBondContact O-CG2 3.3Å; Q80-V84 PolarHBondContact O-N 3.47Å; I82-V84 PolarHBondContact O-N 2.9Å; V84-F146 HydrophobicContact CG2-CB 4.05Å; V84-E147 HydrophobicContact CG1-CG 4.31Å; V84-E147 HydrophobicContact CG2-CG 3.77Å
85	S	90	Very high	90.4	Very high	3 Å²	3	42 Å²	42	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-75.2	-29.3	175.9	-61.4	0	0	0	0	112.8	L81 I82 F83 A88 L89	L81-S85 WeakPolarHBondContact O-CB 3.5Å; L81-S85 PolarHBondContact O-N 3.24Å; L81-S85 PolarHBondContact O-OG 2.88Å; I82-S85 PolarHBondContact O-N 2.88Å; F83-S85 PolarHBondContact O-N 3.21Å; S85-A88 WeakPolarHBondContact O-CB 3.29Å; S85-A88 PolarHBondContact O-N 2.89Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-L89 WeakPolarHBondContact O-CG 3.27Å; S85-L89 PolarHBondContact O-N 3.42Å
86	T	91.6	Very high	90	Very high	59 Å²	59	36.3 Å²	36.3	36%	0.362	20%	0.198	S	C	.	.	H	α-helix	trans	-59.4	-49.3	-172.1	-66.1	0	0	0	0	113.1	I82 F83 A88 L89 L90	I82-T86 WeakPolarHBondContact O-CB 3.44Å; I82-T86 PolarHBondContact O-N 3.42Å; I82-T86 PolarHBondContact O-OG1 3.34Å; F83-T86 PolarHBondContact O-N 3.32Å; T86-A88 VanDerWaalsContact C-N 3.28Å; T86-A88 PolarHBondContact O-N 3.18Å; T86-L89 PolarHBondContact O-N 2.92Å; T86-L90 HydrophobicContact CG2-CD1 4.12Å; T86-L90 HydrophobicContact CG2-CG 4.38Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 2.85Å
87	P	92.3	Very high	89.7	Confident	10 Å²	10	43.1 Å²	43.1	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-33.6	175.1	-25.6	33.8	0	0	0	114.2	F83 V91 S139 F142 R143 F146	F83-P87 WeakPolarHBondContact O-CD 3.28Å; P87-V91 WeakPolarHBondContact O-CG2 3.34Å; P87-V91 PolarHBondContact O-N 3.47Å; P87-V91 VanDerWaalsContact O-N 3.11Å; P87-S139 WeakPolarHBondContact CB-OG 3.16Å; P87-S139 PolarHBondContact O-OG 2.98Å; P87-F142 HydrophobicContact CG-CB 4.05Å; P87-R143 HydrophobicContact CB-CG 3.97Å; P87-R143 HydrophobicContact CG-CG 4.06Å; P87-F146 HydrophobicContact CG-CD2 4.14Å; P87-F146 HydrophobicContact CG-CE2 3.88Å
88	A	87.3	Confident	89.2	Confident	4 Å²	4	47 Å²	47	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-69.8	-41.1	177.5	0	0	0	0	0	111.1	W24 S85 T86 V91 A92	W24-A88 HydrophobicContact CH2-CB 4.44Å; W24-A88 HydrophobicContact CZ3-CB 4.23Å; S85-A88 WeakPolarHBondContact O-CB 3.29Å; S85-A88 PolarHBondContact O-N 2.89Å; S85-A88 VanDerWaalsContact O-N 3.12Å; T86-A88 VanDerWaalsContact C-N 3.28Å; T86-A88 PolarHBondContact O-N 3.18Å; A88-V91 PolarHBondContact O-N 2.76Å; A88-A92 PolarHBondContact O-N 3.21Å
89	L	88.1	Confident	88.6	Confident	48 Å²	48	48.3 Å²	48.3	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-42.6	174.5	-68.2	177.9	0	0	0	112.1	I9 L10 V13 S85 T86 V91 A92 M93	I9-L89 HydrophobicContact CB-CD2 4.5Å; I9-L89 HydrophobicContact CG2-CD2 3.37Å; L10-L89 HydrophobicContact CD2-CD2 3.65Å; L10-L89 HydrophobicContact CD2-CG 3.96Å; L10-L89 HydrophobicContact CG-CD2 4.23Å; V13-L89 HydrophobicContact CG2-CD2 4.07Å; S85-L89 WeakPolarHBondContact O-CG 3.27Å; S85-L89 PolarHBondContact O-N 3.42Å; T86-L89 PolarHBondContact O-N 2.92Å; L89-V91 VanDerWaalsContact C-N 3.35Å; L89-V91 PolarHBondContact O-N 3.07Å; L89-A92 PolarHBondContact O-N 3.18Å; L89-M93 WeakPolarHBondContact O-CB 3.47Å; L89-M93 PolarHBondContact O-N 2.81Å
90	L	91.2	Very high	88.1	Confident	106 Å²	106	50.7 Å²	50.7	56%	0.555	25%	0.248	S	C	*	.	H	α-helix	trans	-62.3	-41.1	176.7	-71.5	175.9	0	0	0	112	T86 M93 H94	T86-L90 HydrophobicContact CG2-CD1 4.12Å; T86-L90 HydrophobicContact CG2-CG 4.38Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 2.85Å; L90-M93 PolarHBondContact O-N 3.38Å; L90-H94 WeakPolarHBondContact O-CB 3.08Å; L90-H94 PolarHBondContact O-N 3.45Å
91	V	87.3	Confident	87.7	Confident	11 Å²	11	53.4 Å²	53.4	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-46.4	173.6	167	0	0	0	0	111	P87 A88 L89 M93 H94 V95 Y136 S139	P87-V91 WeakPolarHBondContact O-CG2 3.34Å; P87-V91 PolarHBondContact O-N 3.47Å; P87-V91 VanDerWaalsContact O-N 3.11Å; A88-V91 PolarHBondContact O-N 2.76Å; L89-V91 VanDerWaalsContact C-N 3.35Å; L89-V91 PolarHBondContact O-N 3.07Å; V91-M93 VanDerWaalsContact C-N 3.32Å; V91-M93 PolarHBondContact O-N 3.35Å; V91-H94 WeakPolarHBondContact O-CB 3.29Å; V91-H94 PolarHBondContact O-N 3.5Å; V91-V95 HydrophobicContact CG1-CG2 4.46Å; V91-V95 WeakPolarHBondContact O-CG2 3.2Å; V91-V95 PolarHBondContact O-N 3.28Å; V91-Y136 HydrophobicContact CG1-CD2 3.8Å; V91-Y136 HydrophobicContact CG1-CE2 4.37Å; V91-S139 WeakPolarHBondContact CG2-OG 3.48Å
92	A	83.9	Confident	87.2	Confident	11 Å²	11	58.8 Å²	58.8	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-41.4	178.5	0	0	0	0	0	112.2	V13 Y16 A88 L89 V95 A96	V13-A92 HydrophobicContact CB-CB 4.15Å; V13-A92 HydrophobicContact CG1-CB 3.99Å; V13-A92 HydrophobicContact CG2-CB 3.6Å; Y16-A92 HydrophobicContact CD2-CB 4.36Å; A88-A92 PolarHBondContact O-N 3.21Å; L89-A92 PolarHBondContact O-N 3.18Å; A92-V95 PolarHBondContact O-N 3.4Å; A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.24Å; A92-A96 PolarHBondContact O-N 3.35Å
93	M	87.3	Confident	86.7	Confident	135 Å²	135	59.1 Å²	59.1	67%	0.665	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-45.4	174.1	-175.6	180	-179.6	0	0	111	L89 L90 V91 V95 A96 Y97	L89-M93 WeakPolarHBondContact O-CB 3.47Å; L89-M93 PolarHBondContact O-N 2.81Å; L90-M93 PolarHBondContact O-N 3.38Å; V91-M93 VanDerWaalsContact C-N 3.32Å; V91-M93 PolarHBondContact O-N 3.35Å; M93-V95 PolarHBondContact O-N 3Å; M93-A96 PolarHBondContact O-N 2.94Å; M93-Y97 VanDerWaalsContact O-CB 3.29Å; M93-Y97 WeakPolarHBondContact O-CB 3.3Å; M93-Y97 PolarHBondContact O-N 3.06Å
94	H	87	Confident	86.3	Confident	43 Å²	43	61.8 Å²	61.8	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-43.2	176.5	-180	-137.6	0	0	0	111.9	L90 V91 R98 T135	L90-H94 WeakPolarHBondContact O-CB 3.08Å; L90-H94 PolarHBondContact O-N 3.45Å; V91-H94 WeakPolarHBondContact O-CB 3.29Å; V91-H94 PolarHBondContact O-N 3.5Å; H94-R98 PolarHBondContact CE1-NE 3.43Å; H94-R98 VanDerWaalsContact CE1-NE 3.32Å; H94-R98 PolarHBondContact NE2-NE 3.25Å; H94-R98 PolarHBondContact NE2-NH2 3.24Å; H94-R98 WeakPolarHBondContact O-CG 3.34Å; H94-R98 PolarHBondContact O-N 2.92Å; H94-T135 PolarHBondContact CE1-OG1 2.96Å; H94-T135 PolarHBondContact ND1-OG1 3.02Å
95	V	83.5	Confident	85.8	Confident	8 Å²	8	65.6 Å²	65.6	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-45.9	176	173.7	0	0	0	0	111.4	Y16 V91 A92 M93 Y97 R98 R99 V126 L132	Y16-V95 HydrophobicContact CD1-CB 4.42Å; Y16-V95 HydrophobicContact CD1-CG1 3.42Å; Y16-V95 VanDerWaalsContact CD1-CG1 3.42Å; Y16-V95 HydrophobicContact CD2-CG1 4.46Å; Y16-V95 HydrophobicContact CE1-CG1 3.79Å; Y16-V95 HydrophobicContact CG-CB 4.33Å; Y16-V95 HydrophobicContact CG-CG1 3.78Å; V91-V95 HydrophobicContact CG1-CG2 4.46Å; V91-V95 WeakPolarHBondContact O-CG2 3.2Å; V91-V95 PolarHBondContact O-N 3.28Å; A92-V95 PolarHBondContact O-N 3.4Å; M93-V95 PolarHBondContact O-N 3Å; V95-Y97 PolarHBondContact O-N 3.25Å; V95-R98 PolarHBondContact O-N 2.97Å; V95-R99 WeakPolarHBondContact O-CB 3.43Å; V95-R99 PolarHBondContact O-N 3.45Å; V95-V126 HydrophobicContact CG1-CG1 4.07Å; V95-V126 HydrophobicContact CG1-CG2 3.9Å; V95-V126 HydrophobicContact CG2-CG1 4.42Å; V95-L132 HydrophobicContact CG2-CD1 3.46Å; V95-L132 VanDerWaalsContact CG2-CD1 3.46Å; V95-L132 HydrophobicContact CG2-CD2 4.02Å; V95-L132 HydrophobicContact CG2-CG 4.39Å
96	A	83.4	Confident	85.3	Confident	43 Å²	43	67.7 Å²	67.7	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-61.3	-44.5	178.3	0	0	0	0	0	111.4	A92 M93 R99 H100	A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.24Å; A92-A96 PolarHBondContact O-N 3.35Å; M93-A96 PolarHBondContact O-N 2.94Å; A96-R99 PolarHBondContact O-N 3.38Å; A96-H100 WeakPolarHBondContact O-CB 3.28Å; A96-H100 PolarHBondContact O-N 2.89Å
97	Y	87	Confident	84.7	Confident	149 Å²	149	70.2 Å²	70.2	58%	0.584	33%	0.326	S	S	*	.	H	α-helix	trans	-60.2	-50.6	176.2	-179.7	-96.3	0	0	0	111.6	M93 V95 R99 H100 E101	M93-Y97 VanDerWaalsContact O-CB 3.29Å; M93-Y97 WeakPolarHBondContact O-CB 3.3Å; M93-Y97 PolarHBondContact O-N 3.06Å; V95-Y97 PolarHBondContact O-N 3.25Å; Y97-R99 VanDerWaalsContact C-N 3.31Å; Y97-R99 PolarHBondContact O-N 2.88Å; Y97-H100 WeakPolarHBondContact O-CB 3.47Å; Y97-H100 PolarHBondContact O-N 3.47Å; Y97-E101 WeakPolarHBondContact O-CB 3.45Å; Y97-E101 PolarHBondContact O-N 3.02Å
98	R	83.2	Confident	84.4	Confident	87 Å²	87	75.5 Å²	75.5	33%	0.328	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-40.4	177.8	-78.1	-168.5	179	-133.1	-9.8	112.8	H94 V95 E101 K102 S131	H94-R98 PolarHBondContact CE1-NE 3.43Å; H94-R98 VanDerWaalsContact CE1-NE 3.32Å; H94-R98 PolarHBondContact NE2-NE 3.25Å; H94-R98 PolarHBondContact NE2-NH2 3.24Å; H94-R98 WeakPolarHBondContact O-CG 3.34Å; H94-R98 PolarHBondContact O-N 2.92Å; V95-R98 PolarHBondContact O-N 2.97Å; R98-E101 PolarHBondContact O-N 3.46Å; R98-K102 WeakPolarHBondContact O-CB 3.25Å; R98-K102 WeakPolarHBondContact O-CG 3.37Å; R98-K102 PolarHBondContact O-N 3.03Å; R98-S131 VanDerWaalsContact NH2-CB 3.26Å; R98-S131 PolarHBondContact NH2-OG 2.9Å
99	R	78.8	Confident	83.8	Confident	48 Å²	48	77 Å²	77	18%	0.181	36%	0.364	C	S	.	.	H	α-helix	trans	-66.2	-42.3	177.7	-166.2	-174.7	-155.7	147.7	19.3	111.3	V95 A96 Y97 E101 K102 K103 I121 K122	V95-R99 WeakPolarHBondContact O-CB 3.43Å; V95-R99 PolarHBondContact O-N 3.45Å; A96-R99 PolarHBondContact O-N 3.38Å; Y97-R99 VanDerWaalsContact C-N 3.31Å; Y97-R99 PolarHBondContact O-N 2.88Å; R99-E101 VanDerWaalsContact C-N 3.35Å; R99-K102 PolarHBondContact O-N 3.21Å; R99-K103 WeakPolarHBondContact O-CB 3.35Å; R99-K103 PolarHBondContact O-N 3.18Å; R99-I121 HydrophobicContact CG-CG2 4.29Å; R99-I121 PolarHBondContact NE-O 3.44Å; R99-I121 PolarHBondContact NH2-O 2.83Å; R99-K122 PolarHBondContact NH2-O 2.87Å
100	H	84	Confident	83	Confident	121 Å²	121	80.7 Å²	80.7	56%	0.56	38%	0.38	S	S	*	.	H	α-helix	trans	-62.3	-43.5	175.9	-178.3	-97.5	0	0	0	111.3	A96 Y97 K103 R104	A96-H100 WeakPolarHBondContact O-CB 3.28Å; A96-H100 PolarHBondContact O-N 2.89Å; Y97-H100 WeakPolarHBondContact O-CB 3.47Å; Y97-H100 PolarHBondContact O-N 3.47Å; H100-K103 PolarHBondContact O-N 3.04Å; H100-R104 WeakPolarHBondContact O-CB 3.16Å; H100-R104 PolarHBondContact O-N 2.96Å
101	E	86	Confident	81.8	Confident	65 Å²	65	78.2 Å²	78.2	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-46.3	176.3	-164.3	-167.9	160.4	0	0	112	Y97 R98 R99 K103 R104 K105	Y97-E101 WeakPolarHBondContact O-CB 3.45Å; Y97-E101 PolarHBondContact O-N 3.02Å; R98-E101 PolarHBondContact O-N 3.46Å; R99-E101 VanDerWaalsContact C-N 3.35Å; E101-K103 VanDerWaalsContact C-N 3.35Å; E101-K103 PolarHBondContact O-N 3.45Å; E101-R104 PolarHBondContact O-N 2.84Å; E101-K105 HydrophobicContact CG-CD 4.45Å; E101-K105 WeakPolarHBondContact O-CG 3.44Å; E101-K105 PolarHBondContact O-N 2.92Å; E101-K105 WeakPolarHBondContact OE1-CE 3.33Å; E101-K105 IonicContact OE1-NZ 2.72Å; E101-K105 PolarHBondContact OE1-NZ 2.97Å
102	K	80.8	Confident	80.4	Confident	114 Å²	114	86.2 Å²	86.2	50%	0.496	40%	0.4	S	S	.	.	H	α-helix	trans	-58	-45.4	174.5	-76.3	-175.1	178.1	-165.4	0	111.9	R98 R99 R104 K105 F106	R98-K102 WeakPolarHBondContact O-CB 3.25Å; R98-K102 WeakPolarHBondContact O-CG 3.37Å; R98-K102 PolarHBondContact O-N 3.03Å; R99-K102 PolarHBondContact O-N 3.21Å; K102-R104 VanDerWaalsContact C-N 3.35Å; K102-R104 PolarHBondContact O-N 3.34Å; K102-K105 PolarHBondContact O-N 2.86Å; K102-F106 WeakPolarHBondContact O-CB 3.4Å; K102-F106 PolarHBondContact O-N 3.38Å
103	K	80.8	Confident	79.1	Confident	84 Å²	84	93.5 Å²	93.5	37%	0.365	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-42.9	176	-172.6	-172.7	177.9	-166	0	111.5	R99 H100 E101 F106 I107	R99-K103 WeakPolarHBondContact O-CB 3.35Å; R99-K103 PolarHBondContact O-N 3.18Å; H100-K103 PolarHBondContact O-N 3.04Å; E101-K103 VanDerWaalsContact C-N 3.35Å; E101-K103 PolarHBondContact O-N 3.45Å; K103-F106 PolarHBondContact O-N 3.49Å; K103-I107 HydrophobicContact CG-CD1 4.07Å; K103-I107 WeakPolarHBondContact O-CG1 3.47Å; K103-I107 PolarHBondContact O-N 3.14Å
104	R	85.2	Confident	77.7	Confident	149 Å²	149	94.5 Å²	94.5	56%	0.562	44%	0.441	S	S	*	.	H	α-helix	trans	-63.6	-43.3	178.1	-173.6	-177.8	179.8	-152.3	1.6	112	H100 E101 K102 I107 K108	H100-R104 WeakPolarHBondContact O-CB 3.16Å; H100-R104 PolarHBondContact O-N 2.96Å; E101-R104 PolarHBondContact O-N 2.84Å; K102-R104 VanDerWaalsContact C-N 3.35Å; K102-R104 PolarHBondContact O-N 3.34Å; R104-I107 PolarHBondContact O-N 3.18Å; R104-K108 WeakPolarHBondContact O-CG 3.36Å; R104-K108 PolarHBondContact O-N 2.94Å; R104-K108 VanDerWaalsContact O-N 3.11Å
105	K	83.7	Confident	76.2	Confident	80 Å²	80	94.4 Å²	94.4	35%	0.348	44%	0.44	S	S	.	.	H	α-helix	trans	-66.1	-38	176.8	-72.4	178.8	164.5	164.5	0	112.4	E101 K102 K108 G109 E110 I111	E101-K105 HydrophobicContact CG-CD 4.45Å; E101-K105 WeakPolarHBondContact O-CG 3.44Å; E101-K105 PolarHBondContact O-N 2.92Å; E101-K105 WeakPolarHBondContact OE1-CE 3.33Å; E101-K105 IonicContact OE1-NZ 2.72Å; E101-K105 PolarHBondContact OE1-NZ 2.97Å; K102-K105 PolarHBondContact O-N 2.86Å; K105-K108 PolarHBondContact O-N 3.32Å; K105-G109 PolarHBondContact O-N 2.9Å; K105-E110 PolarHBondContact O-N 3.45Å; K105-I111 HydrophobicContact CB-CD1 3.6Å; K105-I111 HydrophobicContact CB-CG1 4.1Å
106	F	78	Confident	74.9	Confident	47 Å²	47	102.9 Å²	102.9	21%	0.206	48%	0.476	C	S	.	.	H	α-helix	trans	-62.6	-47	173.2	-172.5	-98.7	0	0	0	112	K102 K103 K108 G109 I111 F115 I118 I121	K102-F106 WeakPolarHBondContact O-CB 3.4Å; K102-F106 PolarHBondContact O-N 3.38Å; K103-F106 PolarHBondContact O-N 3.49Å; F106-K108 VanDerWaalsContact C-N 3.29Å; F106-K108 PolarHBondContact O-N 3.32Å; F106-G109 PolarHBondContact O-N 2.89Å; F106-I111 HydrophobicContact CD2-CB 4.49Å; F106-I111 HydrophobicContact CD2-CG2 4.46Å; F106-I111 WeakPolarHBondContact CD2-O 3.46Å; F106-F115 HydrophobicContact CD2-CB 4.22Å; F106-F115 HydrophobicContact CE2-CB 3.67Å; F106-F115 VanDerWaalsContact CE2-O 3.31Å; F106-F115 WeakPolarHBondContact CE2-O 3.14Å; F106-F115 HydrophobicContact CZ-CB 4.08Å; F106-F115 VanDerWaalsContact CZ-O 3.28Å; F106-F115 WeakPolarHBondContact CZ-O 3.39Å; F106-I118 HydrophobicContact CD1-CG1 4.05Å; F106-I118 HydrophobicContact CE1-CG1 3.9Å; F106-I121 HydrophobicContact CB-CD1 4.17Å; F106-I121 HydrophobicContact CD1-CD1 4.23Å; F106-I121 HydrophobicContact CD2-CD1 4.42Å; F106-I121 HydrophobicContact CG-CD1 4.02Å
107	I	80.8	Confident	73.9	Confident	112 Å²	112	105.6 Å²	105.6	57%	0.574	48%	0.484	S	S	*	.	H	α-helix	trans	-62.7	-34.7	177.9	-69.1	167.8	0	0	0	112.1	K103 R104 G109 I118	K103-I107 HydrophobicContact CG-CD1 4.07Å; K103-I107 WeakPolarHBondContact O-CG1 3.47Å; K103-I107 PolarHBondContact O-N 3.14Å; R104-I107 PolarHBondContact O-N 3.18Å; I107-G109 PolarHBondContact O-N 2.98Å; I107-I118 HydrophobicContact CG1-CD1 4.49Å
108	K	85.3	Confident	72.7	Confident	121 Å²	121	101.7 Å²	101.7	53%	0.526	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.5	176	-73.9	-177	172.2	-165.3	0	114.2	R104 K105 F106 E110	R104-K108 WeakPolarHBondContact O-CG 3.36Å; R104-K108 PolarHBondContact O-N 2.94Å; R104-K108 VanDerWaalsContact O-N 3.11Å; K105-K108 PolarHBondContact O-N 3.32Å; F106-K108 VanDerWaalsContact C-N 3.29Å; F106-K108 PolarHBondContact O-N 3.32Å; K108-E110 VanDerWaalsContact C-N 3.25Å; K108-E110 HydrophobicContact CB-CG 4.24Å; K108-E110 PolarHBondContact O-N 3.13Å
109	G	74.1	Confident	71.9	Confident	36 Å²	36	104.3 Å²	104.3	37%	0.371	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	12.3	-178.6	0	0	0	0	0	114.6	K105 F106 I107 I111	K105-G109 PolarHBondContact O-N 2.9Å; F106-G109 PolarHBondContact O-N 2.89Å; I107-G109 PolarHBondContact O-N 2.98Å; G109-I111 VanDerWaalsContact C-N 3.3Å
110	E	71.1	Confident	71.1	Confident	125 Å²	125	106.1 Å²	106.1	58%	0.584	50%	0.5	S	S	*	.	S	Bend	trans	-74.4	-23	176.3	-67.6	174.1	-177	0	0	111.8	K105 K108	K105-E110 PolarHBondContact O-N 3.45Å; K108-E110 VanDerWaalsContact C-N 3.25Å; K108-E110 HydrophobicContact CB-CG 4.24Å; K108-E110 PolarHBondContact O-N 3.13Å
111	I	66.7	Low	70.1	Confident	54 Å²	54	100.9 Å²	100.9	28%	0.277	48%	0.476	S	S	.	.			trans	-116.3	92	178.2	-58.5	173.5	0	0	0	107.6	K105 F106 G109 E114	K105-I111 HydrophobicContact CB-CD1 3.6Å; K105-I111 HydrophobicContact CB-CG1 4.1Å; F106-I111 HydrophobicContact CD2-CB 4.49Å; F106-I111 HydrophobicContact CD2-CG2 4.46Å; F106-I111 WeakPolarHBondContact CD2-O 3.46Å; G109-I111 VanDerWaalsContact C-N 3.3Å; I111-E114 HydrophobicContact CG2-CB 4.44Å
112	K	58.2	Low	68.9	Low	179 Å²	179	103.5 Å²	103.5	78%	0.778	49%	0.486	S	S	*	.			trans	-91	-6.9	-172.8	-99.2	179.9	177.8	-178.9	0	116.4
113	N	56	Low	67.9	Low	163 Å²	163	103.3 Å²	103.3	87%	0.872	49%	0.494	S	S	*	.	S	Bend	trans	-134.7	4.2	-164.4	-78.7	-17.2	0	0	0	117.9
114	E	57.4	Low	67	Low	157 Å²	157	102.7 Å²	102.7	73%	0.734	49%	0.493	S	S	*	.	S	Bend	trans	-115.6	-8.5	-171.4	-118.3	-172.2	166.7	0	0	116.9	I111	I111-E114 HydrophobicContact CG2-CB 4.44Å
115	F	56.8	Low	65.8	Low	40 Å²	40	103.5 Å²	103.5	18%	0.175	50%	0.5	C	S	.	.			trans	-139.2	123.2	179	-82.4	-86.1	0	0	0	110	F106 D117 E120 I121 Q124	F106-F115 HydrophobicContact CD2-CB 4.22Å; F106-F115 HydrophobicContact CE2-CB 3.67Å; F106-F115 VanDerWaalsContact CE2-O 3.31Å; F106-F115 WeakPolarHBondContact CE2-O 3.14Å; F106-F115 HydrophobicContact CZ-CB 4.08Å; F106-F115 VanDerWaalsContact CZ-O 3.28Å; F106-F115 WeakPolarHBondContact CZ-O 3.39Å; F115-D117 VanDerWaalsContact C-N 3.35Å; F115-E120 HydrophobicContact CD1-CB 3.61Å; F115-E120 HydrophobicContact CE1-CB 3.99Å; F115-I121 HydrophobicContact CB-CD1 4.25Å; F115-I121 HydrophobicContact CB-CG1 4.06Å; F115-I121 HydrophobicContact CD1-CB 4.3Å; F115-I121 HydrophobicContact CD1-CD1 4.32Å; F115-I121 HydrophobicContact CD1-CG1 3.29Å; F115-I121 HydrophobicContact CD2-CD1 4.27Å; F115-I121 HydrophobicContact CD2-CG1 3.89Å; F115-I121 HydrophobicContact CE1-CB 4.31Å; F115-I121 HydrophobicContact CE1-CG1 3.64Å; F115-I121 HydrophobicContact CE2-CG1 4.21Å; F115-I121 HydrophobicContact CG-CD1 3.99Å; F115-I121 HydrophobicContact CG-CG1 3.43Å; F115-I121 VanDerWaalsContact CG-CG1 3.43Å; F115-I121 HydrophobicContact CZ-CG1 4.1Å; F115-Q124 HydrophobicContact CE1-CB 4.45Å
116	K	56.1	Low	64.8	Low	186 Å²	186	101.7 Å²	101.7	81%	0.809	50%	0.496	S	S	*	.	S	Bend	trans	-78.6	-23	177	-92.8	-179	173.3	-179.6	0	111.7	E120	K116-E120 PolarHBondContact N-OE2 2.99Å
117	D	61.1	Low	64.1	Low	100 Å²	100	106.2 Å²	106.2	54%	0.535	51%	0.512	S	S	.	.			trans	-146.2	148	176.1	-76.1	-55.4	0	0	0	113.5	F115 E119 E120	F115-D117 VanDerWaalsContact C-N 3.35Å; D117-E119 HydrophobicContact CB-CB 4.43Å; D117-E119 PolarHBondContact O-N 3.09Å; D117-E119 VanDerWaalsContact O-N 3.15Å; D117-E120 HydrophobicContact CB-CG 4.49Å; D117-E120 WeakPolarHBondContact O-CB 3.45Å; D117-E120 PolarHBondContact O-N 3.38Å
118	I	63.2	Low	63.4	Low	68 Å²	68	101.6 Å²	101.6	35%	0.349	49%	0.488	S	S	.	.	H	α-helix	trans	-58.2	-27	171.4	-67.2	175	0	0	0	111.2	F106 I107 I121 K122	F106-I118 HydrophobicContact CD1-CG1 4.05Å; F106-I118 HydrophobicContact CE1-CG1 3.9Å; I107-I118 HydrophobicContact CG1-CD1 4.49Å; I118-I121 PolarHBondContact O-N 2.99Å; I118-K122 PolarHBondContact O-N 3.24Å
119	E	65.6	Low	62.6	Low	142 Å²	142	99.9 Å²	99.9	66%	0.664	48%	0.482	S	S	*	.	H	α-helix	trans	-65.8	-37	175.5	-64.4	-157.5	147.5	0	0	112.7	D117 I121 K122 T123	D117-E119 HydrophobicContact CB-CB 4.43Å; D117-E119 PolarHBondContact O-N 3.09Å; D117-E119 VanDerWaalsContact O-N 3.15Å; E119-I121 VanDerWaalsContact C-N 3.28Å; E119-I121 PolarHBondContact O-N 3.43Å; E119-K122 CarbonylContact O-C 3.56Å; E119-K122 WeakPolarHBondContact O-CA 3.42Å; E119-K122 WeakPolarHBondContact O-CB 3.22Å; E119-K122 PolarHBondContact O-N 3.46Å; E119-T123 PolarHBondContact O-N 2.91Å; E119-T123 PolarHBondContact O-OG1 2.97Å
120	E	62.9	Low	62.9	Low	86 Å²	86	100.8 Å²	100.8	40%	0.402	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-37.4	174.2	-73.1	-177.5	151.5	0	0	110.9	F115 K116 D117 K122 T123 Q124	F115-E120 HydrophobicContact CD1-CB 3.61Å; F115-E120 HydrophobicContact CE1-CB 3.99Å; K116-E120 PolarHBondContact N-OE2 2.99Å; D117-E120 HydrophobicContact CB-CG 4.49Å; D117-E120 WeakPolarHBondContact O-CB 3.45Å; D117-E120 PolarHBondContact O-N 3.38Å; E120-K122 PolarHBondContact O-N 3.11Å; E120-T123 WeakPolarHBondContact CA-OG1 3.48Å; E120-T123 PolarHBondContact O-N 3.46Å; E120-T123 PolarHBondContact O-OG1 3.35Å; E120-Q124 VanDerWaalsContact O-CB 3.26Å; E120-Q124 WeakPolarHBondContact O-CB 3.5Å; E120-Q124 PolarHBondContact O-N 3.21Å
121	I	61.8	Low	63.5	Low	11 Å²	11	97.6 Å²	97.6	6%	0.056	48%	0.482	C	S	.	.	H	α-helix	trans	-63	-28.8	173.7	-58.6	175.3	0	0	0	110.9	R99 F106 F115 I118 E119	R99-I121 HydrophobicContact CG-CG2 4.29Å; R99-I121 PolarHBondContact NE-O 3.44Å; R99-I121 PolarHBondContact NH2-O 2.83Å; F106-I121 HydrophobicContact CB-CD1 4.17Å; F106-I121 HydrophobicContact CD1-CD1 4.23Å; F106-I121 HydrophobicContact CD2-CD1 4.42Å; F106-I121 HydrophobicContact CG-CD1 4.02Å; F115-I121 HydrophobicContact CB-CD1 4.25Å; F115-I121 HydrophobicContact CB-CG1 4.06Å; F115-I121 HydrophobicContact CD1-CB 4.3Å; F115-I121 HydrophobicContact CD1-CD1 4.32Å; F115-I121 HydrophobicContact CD1-CG1 3.29Å; F115-I121 HydrophobicContact CD2-CD1 4.27Å; F115-I121 HydrophobicContact CD2-CG1 3.89Å; F115-I121 HydrophobicContact CE1-CB 4.31Å; F115-I121 HydrophobicContact CE1-CG1 3.64Å; F115-I121 HydrophobicContact CE2-CG1 4.21Å; F115-I121 HydrophobicContact CG-CD1 3.99Å; F115-I121 HydrophobicContact CG-CG1 3.43Å; F115-I121 VanDerWaalsContact CG-CG1 3.43Å; F115-I121 HydrophobicContact CZ-CG1 4.1Å; I118-I121 PolarHBondContact O-N 2.99Å; E119-I121 VanDerWaalsContact C-N 3.28Å; E119-I121 PolarHBondContact O-N 3.43Å
122	K	61.2	Low	64.2	Low	119 Å²	119	95.6 Å²	95.6	52%	0.517	47%	0.472	S	S	.	.	H	α-helix	trans	-82.7	-27.4	178	-73.3	-177.8	-179.6	175.1	0	113.9	R99 I118 E119 E120	R99-K122 PolarHBondContact NH2-O 2.87Å; I118-K122 PolarHBondContact O-N 3.24Å; E119-K122 CarbonylContact O-C 3.56Å; E119-K122 WeakPolarHBondContact O-CA 3.42Å; E119-K122 WeakPolarHBondContact O-CB 3.22Å; E119-K122 PolarHBondContact O-N 3.46Å; E120-K122 PolarHBondContact O-N 3.11Å
123	T	59.7	Low	65.5	Low	110 Å²	110	87.9 Å²	87.9	68%	0.675	44%	0.438	S	S	*	.	H	α-helix	trans	-96.8	-18.7	179.7	57.5	0	0	0	0	113	E119 E120 K125	E119-T123 PolarHBondContact O-N 2.91Å; E119-T123 PolarHBondContact O-OG1 2.97Å; E120-T123 WeakPolarHBondContact CA-OG1 3.48Å; E120-T123 PolarHBondContact O-N 3.46Å; E120-T123 PolarHBondContact O-OG1 3.35Å; T123-K125 PolarHBondContact O-N 2.83Å; T123-K125 VanDerWaalsContact O-N 3.08Å
124	Q	61.5	Low	67.1	Low	72 Å²	72	87.6 Å²	87.6	34%	0.336	43%	0.425	S	S	.	.	S	Bend	trans	-55.8	119.4	179.4	-164	-172.8	26.6	0	0	110.4	F115 E120 V126	F115-Q124 HydrophobicContact CE1-CB 4.45Å; E120-Q124 VanDerWaalsContact O-CB 3.26Å; E120-Q124 WeakPolarHBondContact O-CB 3.5Å; E120-Q124 PolarHBondContact O-N 3.21Å; Q124-V126 PolarHBondContact O-N 3.39Å
125	K	61.3	Low	68.6	Low	165 Å²	165	82.3 Å²	82.3	72%	0.717	40%	0.404	S	S	*	.			trans	-56.8	126.2	168.4	-70.4	-175	178.3	-178.2	0	107.8	T123 R127	T123-K125 PolarHBondContact O-N 2.83Å; T123-K125 VanDerWaalsContact O-N 3.08Å; K125-R127 PolarHBondContact O-N 2.69Å
126	V	62.2	Low	70.1	Confident	42 Å²	42	80.7 Å²	80.7	26%	0.255	40%	0.396	S	S	.	.			trans	-63	106.4	-179.5	178.1	0	0	0	0	108.1	Y16 V95 Q124 I128 L132	Y16-V126 HydrophobicContact CD1-CG2 3.85Å; Y16-V126 HydrophobicContact CE1-CG2 4.43Å; V95-V126 HydrophobicContact CG1-CG1 4.07Å; V95-V126 HydrophobicContact CG1-CG2 3.9Å; V95-V126 HydrophobicContact CG2-CG1 4.42Å; Q124-V126 PolarHBondContact O-N 3.39Å; V126-I128 PolarHBondContact O-N 2.64Å; V126-L132 HydrophobicContact CG1-CD2 3.34Å
127	R	63.1	Low	71.8	Confident	143 Å²	143	72.5 Å²	72.5	54%	0.54	36%	0.362	S	S	.	.			trans	-71.1	114.8	173.2	-70.6	-173.9	-175.8	169.3	2.2	108	K125 E129	K125-R127 PolarHBondContact O-N 2.69Å; R127-E129 HydrophobicContact CB-CG 4.12Å; R127-E129 PolarHBondContact O-N 2.82Å
128	I	65.3	Low	73.3	Confident	15 Å²	15	70.3 Å²	70.3	8%	0.077	35%	0.354	C	S	.	.			trans	-73.1	77.8	173.4	-54.3	178	0	0	0	107.7	T18 V126 W133 Y136 V226	T18-I128 HydrophobicContact CG2-CD1 3.72Å; V126-I128 PolarHBondContact O-N 2.64Å; I128-W133 HydrophobicContact CG2-CB 3.9Å; I128-W133 HydrophobicContact CG2-CG 4.18Å; I128-Y136 HydrophobicContact CD1-CD1 4.33Å; I128-Y136 HydrophobicContact CD1-CE1 4.36Å; I128-Y136 HydrophobicContact CD1-CG 4.45Å; I128-V226 HydrophobicContact CD1-CB 4.49Å
129	E	69.9	Low	74.7	Confident	85 Å²	85	67.4 Å²	67.4	40%	0.397	34%	0.34	S	S	.	.			trans	-126.1	148.2	-177.9	-73.4	177.5	-174.3	0	0	111.3	R127 S131 L132	R127-E129 HydrophobicContact CB-CG 4.12Å; R127-E129 PolarHBondContact O-N 2.82Å; E129-S131 PolarHBondContact O-N 3.46Å; E129-L132 PolarHBondContact O-N 2.82Å
130	G	79.8	Confident	76	Confident	55 Å²	55	60.6 Å²	60.6	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	-127	177.1	0	0	0	0	0	113.3	L132 W133	G130-L132 VanDerWaalsContact C-N 3.25Å; G130-L132 PolarHBondContact O-N 3.37Å; G130-W133 WeakPolarHBondContact O-CB 3.33Å; G130-W133 PolarHBondContact O-N 2.91Å
131	S	82.9	Confident	77.6	Confident	57 Å²	57	61.7 Å²	61.7	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-26.5	-177.3	164.7	0	0	0	0	113.7	R98 E129 W133 W134 T135	R98-S131 VanDerWaalsContact NH2-CB 3.26Å; R98-S131 PolarHBondContact NH2-OG 2.9Å; E129-S131 PolarHBondContact O-N 3.46Å; S131-W133 VanDerWaalsContact C-N 3.33Å; S131-W133 PolarHBondContact O-N 3.39Å; S131-W134 PolarHBondContact O-N 2.99Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 3.48Å
132	L	83.4	Confident	79.2	Confident	12 Å²	12	65.7 Å²	65.7	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-67.5	-36.8	176.2	-177.6	61.7	0	0	0	111.5	V95 V126 E129 G130 W134 T135 Y136	V95-L132 HydrophobicContact CG2-CD1 3.46Å; V95-L132 VanDerWaalsContact CG2-CD1 3.46Å; V95-L132 HydrophobicContact CG2-CD2 4.02Å; V95-L132 HydrophobicContact CG2-CG 4.39Å; V126-L132 HydrophobicContact CG1-CD2 3.34Å; E129-L132 PolarHBondContact O-N 2.82Å; G130-L132 VanDerWaalsContact C-N 3.25Å; G130-L132 PolarHBondContact O-N 3.37Å; L132-W134 PolarHBondContact O-N 3.23Å; L132-T135 WeakPolarHBondContact CA-OG1 3.22Å; L132-T135 PolarHBondContact O-N 2.83Å; L132-T135 PolarHBondContact O-OG1 3.17Å; L132-Y136 VanDerWaalsContact O-CB 3.3Å; L132-Y136 WeakPolarHBondContact O-CB 3.33Å; L132-Y136 PolarHBondContact O-N 2.95Å
133	W	85.3	Confident	80.9	Confident	18 Å²	18	60.3 Å²	60.3	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-46.4	175.6	-171.5	93.7	0	0	0	111.3	I128 G130 S131 T135 Y136 T137 L213 Y217	I128-W133 HydrophobicContact CG2-CB 3.9Å; I128-W133 HydrophobicContact CG2-CG 4.18Å; G130-W133 WeakPolarHBondContact O-CB 3.33Å; G130-W133 PolarHBondContact O-N 2.91Å; S131-W133 VanDerWaalsContact C-N 3.33Å; S131-W133 PolarHBondContact O-N 3.39Å; W133-T135 PolarHBondContact O-N 3.08Å; W133-Y136 PolarHBondContact O-N 3.37Å; W133-T137 HydrophobicContact CH2-CG2 4.18Å; W133-T137 HydrophobicContact CZ3-CG2 4.39Å; W133-T137 WeakPolarHBondContact O-CB 3.46Å; W133-T137 PolarHBondContact O-N 3.3Å; W133-T137 PolarHBondContact O-OG1 3.17Å; W133-L213 HydrophobicContact CZ2-CB 4.29Å; W133-Y217 HydrophobicContact CE3-CD2 4.49Å; W133-Y217 AromaticContact CH2-CD2 3.67Å; W133-Y217 HydrophobicContact CH2-CD2 3.67Å; W133-Y217 HydrophobicContact CH2-CE2 4.27Å; W133-Y217 AromaticContact CH2-CG 3.89Å; W133-Y217 HydrophobicContact CH2-CG 3.89Å; W133-Y217 AromaticContact CZ2-CD2 3.8Å; W133-Y217 HydrophobicContact CZ2-CD2 3.8Å; W133-Y217 HydrophobicContact CZ2-CG 4.02Å; W133-Y217 HydrophobicContact CZ3-CD2 4.04Å; W133-Y217 HydrophobicContact CZ3-CE2 4.21Å
134	W	88.1	Confident	82.6	Confident	157 Å²	157	56.3 Å²	56.3	60%	0.595	28%	0.281	S	S	*	.	H	α-helix	trans	-59.8	-46.2	176.5	-80.5	113.2	0	0	0	113	S131 L132 Y136 S138	S131-W134 PolarHBondContact O-N 2.99Å; L132-W134 PolarHBondContact O-N 3.23Å; W134-Y136 VanDerWaalsContact C-N 3.3Å; W134-Y136 PolarHBondContact O-N 3.45Å; W134-S138 VanDerWaalsContact O-CB 3.24Å; W134-S138 WeakPolarHBondContact O-CB 3.41Å; W134-S138 PolarHBondContact O-N 3.4Å
135	T	90.2	Very high	84.3	Confident	46 Å²	46	55.7 Å²	55.7	28%	0.282	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-35.8	177.4	56	0	0	0	0	112.5	H94 S131 L132 W133 S139	H94-T135 PolarHBondContact CE1-OG1 2.96Å; H94-T135 PolarHBondContact ND1-OG1 3.02Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 3.48Å; L132-T135 WeakPolarHBondContact CA-OG1 3.22Å; L132-T135 PolarHBondContact O-N 2.83Å; L132-T135 PolarHBondContact O-OG1 3.17Å; W133-T135 PolarHBondContact O-N 3.08Å; T135-S139 VanDerWaalsContact O-CB 3.25Å; T135-S139 WeakPolarHBondContact O-CB 3.28Å; T135-S139 PolarHBondContact O-N 3.2Å
136	Y	88.4	Confident	86	Confident	6 Å²	6	50.3 Å²	50.3	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-70.2	-49.3	179.3	-168.3	-98	0	0	0	111.6	T18 V91 I128 L132 W133 W134 S138 S139 I140 E209 L213	T18-Y136 HydrophobicContact CG2-CE1 3.85Å; T18-Y136 WeakPolarHBondContact CG2-OH 3.26Å; V91-Y136 HydrophobicContact CG1-CD2 3.8Å; V91-Y136 HydrophobicContact CG1-CE2 4.37Å; I128-Y136 HydrophobicContact CD1-CD1 4.33Å; I128-Y136 HydrophobicContact CD1-CE1 4.36Å; I128-Y136 HydrophobicContact CD1-CG 4.45Å; L132-Y136 VanDerWaalsContact O-CB 3.3Å; L132-Y136 WeakPolarHBondContact O-CB 3.33Å; L132-Y136 PolarHBondContact O-N 2.95Å; W133-Y136 PolarHBondContact O-N 3.37Å; W134-Y136 VanDerWaalsContact C-N 3.3Å; W134-Y136 PolarHBondContact O-N 3.45Å; Y136-S138 PolarHBondContact O-N 3.16Å; Y136-S139 WeakPolarHBondContact O-CB 3.46Å; Y136-S139 PolarHBondContact O-N 3.4Å; Y136-I140 HydrophobicContact CD1-CD1 3.7Å; Y136-I140 HydrophobicContact CE1-CD1 3.29Å; Y136-I140 HydrophobicContact CE1-CG1 4.23Å; Y136-I140 PolarHBondContact O-N 2.95Å; Y136-E209 VanDerWaalsContact CE1-OE1 3.25Å; Y136-E209 WeakPolarHBondContact CE1-OE1 3.02Å; Y136-E209 VanDerWaalsContact CZ-OE1 3.26Å; Y136-E209 PolarHBondContact OH-OE1 3.37Å; Y136-L213 HydrophobicContact CD1-CD1 3.68Å; Y136-L213 HydrophobicContact CE1-CD1 3.86Å
137	T	90.8	Very high	87.6	Confident	13 Å²	13	48.3 Å²	48.3	8%	0.08	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-44.7	177.3	-59.2	0	0	0	0	111.2	W133 S139 I140 F141 L210	W133-T137 HydrophobicContact CH2-CG2 4.18Å; W133-T137 HydrophobicContact CZ3-CG2 4.39Å; W133-T137 WeakPolarHBondContact O-CB 3.46Å; W133-T137 PolarHBondContact O-N 3.3Å; W133-T137 PolarHBondContact O-OG1 3.17Å; T137-S139 VanDerWaalsContact C-N 3.33Å; T137-S139 PolarHBondContact O-N 3.5Å; T137-I140 PolarHBondContact O-N 2.92Å; T137-F141 PolarHBondContact O-N 3Å; T137-L210 HydrophobicContact CG2-CD1 3.78Å
138	S	92.6	Very high	89.3	Confident	54 Å²	54	43.4 Å²	43.4	38%	0.378	24%	0.237	S	C	.	.	H	α-helix	trans	-62.7	-39.3	175.6	179.4	0	0	0	0	112	W134 Y136 I140 F141 F142	W134-S138 VanDerWaalsContact O-CB 3.24Å; W134-S138 WeakPolarHBondContact O-CB 3.41Å; W134-S138 PolarHBondContact O-N 3.4Å; Y136-S138 PolarHBondContact O-N 3.16Å; S138-I140 PolarHBondContact O-N 3.37Å; S138-F141 WeakPolarHBondContact O-CB 3.34Å; S138-F141 PolarHBondContact O-N 3.48Å; S138-F142 WeakPolarHBondContact O-CD2 3.02Å; S138-F142 PolarHBondContact O-N 2.9Å; S138-F142 WeakPolarHBondContact OG-CE2 3.29Å
139	S	93.4	Very high	90.8	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-44.7	175.8	176.7	0	0	0	0	112.7	P87 V91 T135 Y136 T137 F142 R143	P87-S139 WeakPolarHBondContact CB-OG 3.16Å; P87-S139 PolarHBondContact O-OG 2.98Å; V91-S139 WeakPolarHBondContact CG2-OG 3.48Å; T135-S139 VanDerWaalsContact O-CB 3.25Å; T135-S139 WeakPolarHBondContact O-CB 3.28Å; T135-S139 PolarHBondContact O-N 3.2Å; Y136-S139 WeakPolarHBondContact O-CB 3.46Å; Y136-S139 PolarHBondContact O-N 3.4Å; T137-S139 VanDerWaalsContact C-N 3.33Å; T137-S139 PolarHBondContact O-N 3.5Å; S139-F142 PolarHBondContact O-N 3.35Å; S139-R143 WeakPolarHBondContact O-CD 3.4Å; S139-R143 VanDerWaalsContact O-CG 3.28Å; S139-R143 WeakPolarHBondContact O-CG 3.37Å; S139-R143 PolarHBondContact O-N 2.89Å
140	I	92.9	Very high	92.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-45	176.1	-66.1	167.6	0	0	0	110.6	Y136 T137 S138 F142 R143 V144 N206 E209 L210 L213	Y136-I140 HydrophobicContact CD1-CD1 3.7Å; Y136-I140 HydrophobicContact CE1-CD1 3.29Å; Y136-I140 HydrophobicContact CE1-CG1 4.23Å; Y136-I140 PolarHBondContact O-N 2.95Å; T137-I140 PolarHBondContact O-N 2.92Å; S138-I140 PolarHBondContact O-N 3.37Å; I140-F142 PolarHBondContact O-N 3.34Å; I140-R143 WeakPolarHBondContact O-CB 3.37Å; I140-R143 PolarHBondContact O-N 2.68Å; I140-R143 VanDerWaalsContact O-N 3.17Å; I140-V144 WeakPolarHBondContact O-CG2 3.39Å; I140-V144 PolarHBondContact O-N 3.29Å; I140-N206 HydrophobicContact CG2-CB 4.14Å; I140-N206 VanDerWaalsContact CG2-O 3.24Å; I140-N206 WeakPolarHBondContact CG2-O 3.26Å; I140-E209 HydrophobicContact CD1-CB 4.27Å; I140-E209 HydrophobicContact CD1-CG 3.72Å; I140-L210 HydrophobicContact CG2-CB 3.86Å; I140-L210 HydrophobicContact CG2-CD1 4.31Å; I140-L213 HydrophobicContact CD1-CD1 3.63Å
141	F	95.2	Very high	92.8	Very high	109 Å²	109	42.6 Å²	42.6	48%	0.478	23%	0.226	S	C	.	.	H	α-helix	trans	-55.6	-50.7	176.3	174.1	-98.1	0	0	0	111.7	T137 S138 R143 V144 V145	T137-F141 PolarHBondContact O-N 3Å; S138-F141 WeakPolarHBondContact O-CB 3.34Å; S138-F141 PolarHBondContact O-N 3.48Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.29Å; F141-V144 PolarHBondContact O-N 3.37Å; F141-V145 HydrophobicContact CD1-CG2 4.31Å; F141-V145 HydrophobicContact CE1-CG2 3.88Å; F141-V145 HydrophobicContact CE2-CG2 4.2Å; F141-V145 HydrophobicContact CZ-CG2 3.82Å; F141-V145 WeakPolarHBondContact O-CG2 3.36Å; F141-V145 PolarHBondContact O-N 3.28Å
142	F	96.6	Very high	93.4	Very high	94 Å²	94	47.5 Å²	47.5	41%	0.412	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-34.4	177.4	-80	-64.1	0	0	0	113.1	P87 S138 S139 I140 V145 F146	P87-F142 HydrophobicContact CG-CB 4.05Å; S138-F142 WeakPolarHBondContact O-CD2 3.02Å; S138-F142 PolarHBondContact O-N 2.9Å; S138-F142 WeakPolarHBondContact OG-CE2 3.29Å; S139-F142 PolarHBondContact O-N 3.35Å; I140-F142 PolarHBondContact O-N 3.34Å; F142-V145 PolarHBondContact O-N 3.49Å; F142-F146 HydrophobicContact CB-CD2 4.43Å; F142-F146 HydrophobicContact CB-CE2 4.06Å; F142-F146 HydrophobicContact CD1-CZ 4.3Å; F142-F146 WeakPolarHBondContact O-CB 3.36Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 VanDerWaalsContact O-CG 3.28Å; F142-F146 WeakPolarHBondContact O-CG 3.35Å; F142-F146 PolarHBondContact O-N 3.04Å
143	R	95.5	Very high	93.9	Very high	6 Å²	6	49.7 Å²	49.7	2%	0.023	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-45.4	173.8	-75.6	161.9	61.8	-162.3	-10.1	111.5	P87 S139 I140 F141 F146 E147 N206	P87-R143 HydrophobicContact CB-CG 3.97Å; P87-R143 HydrophobicContact CG-CG 4.06Å; S139-R143 WeakPolarHBondContact O-CD 3.4Å; S139-R143 VanDerWaalsContact O-CG 3.28Å; S139-R143 WeakPolarHBondContact O-CG 3.37Å; S139-R143 PolarHBondContact O-N 2.89Å; I140-R143 WeakPolarHBondContact O-CB 3.37Å; I140-R143 PolarHBondContact O-N 2.68Å; I140-R143 VanDerWaalsContact O-N 3.17Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.29Å; R143-F146 PolarHBondContact O-N 3.45Å; R143-E147 WeakPolarHBondContact O-CB 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.29Å; R143-E147 PolarHBondContact O-N 2.73Å; R143-N206 PolarHBondContact NE-OD1 2.98Å; R143-N206 PolarHBondContact NH2-OD1 2.92Å
144	V	96.3	Very high	94.4	Very high	27 Å²	27	49.1 Å²	49.1	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-45.6	175.1	178.1	0	0	0	0	111	I140 F141 E147 A148 N206 V207	I140-V144 WeakPolarHBondContact O-CG2 3.39Å; I140-V144 PolarHBondContact O-N 3.29Å; F141-V144 PolarHBondContact O-N 3.37Å; V144-E147 PolarHBondContact O-N 2.96Å; V144-A148 WeakPolarHBondContact O-CB 3.15Å; V144-A148 PolarHBondContact O-N 3.12Å; V144-N206 HydrophobicContact CG2-CB 3.45Å; V144-N206 VanDerWaalsContact CG2-CB 3.45Å; V144-V207 HydrophobicContact CG1-CG2 4.12Å; V144-V207 HydrophobicContact CG2-CG2 4.1Å
145	V	97.6	Very high	94.6	Very high	59 Å²	59	47.5 Å²	47.5	36%	0.358	24%	0.243	S	C	.	.	H	α-helix	trans	-60.4	-47.9	179.3	171.1	0	0	0	0	111.2	F141 F142 A148 A149	F141-V145 HydrophobicContact CD1-CG2 4.31Å; F141-V145 HydrophobicContact CE1-CG2 3.88Å; F141-V145 HydrophobicContact CE2-CG2 4.2Å; F141-V145 HydrophobicContact CZ-CG2 3.82Å; F141-V145 WeakPolarHBondContact O-CG2 3.36Å; F141-V145 PolarHBondContact O-N 3.28Å; F142-V145 PolarHBondContact O-N 3.49Å; V145-A148 PolarHBondContact O-N 3.12Å; V145-A149 WeakPolarHBondContact O-CB 3.2Å; V145-A149 PolarHBondContact O-N 2.97Å
146	F	97.3	Very high	94.8	Very high	52 Å²	52	49.1 Å²	49.1	23%	0.228	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-45.2	178.6	-65.4	-38.4	0	0	0	111.8	F83 V84 P87 F142 R143 A148 A149 F150	F83-F146 HydrophobicContact CB-CB 4.38Å; F83-F146 HydrophobicContact CB-CD2 4.25Å; F83-F146 HydrophobicContact CB-CG 4.18Å; F83-F146 HydrophobicContact CD1-CD1 4.17Å; F83-F146 HydrophobicContact CD1-CE1 4.01Å; F83-F146 HydrophobicContact CD1-CE2 4.48Å; F83-F146 HydrophobicContact CD1-CZ 4.18Å; F83-F146 WeakPolarHBondContact O-CD2 2.9Å; V84-F146 HydrophobicContact CG2-CB 4.05Å; P87-F146 HydrophobicContact CG-CD2 4.14Å; P87-F146 HydrophobicContact CG-CE2 3.88Å; F142-F146 HydrophobicContact CB-CD2 4.43Å; F142-F146 HydrophobicContact CB-CE2 4.06Å; F142-F146 HydrophobicContact CD1-CZ 4.3Å; F142-F146 WeakPolarHBondContact O-CB 3.36Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 VanDerWaalsContact O-CG 3.28Å; F142-F146 WeakPolarHBondContact O-CG 3.35Å; F142-F146 PolarHBondContact O-N 3.04Å; R143-F146 PolarHBondContact O-N 3.45Å; F146-A148 PolarHBondContact O-N 3.42Å; F146-A149 PolarHBondContact O-N 3.41Å; F146-F150 VanDerWaalsContact O-CD2 3.27Å; F146-F150 WeakPolarHBondContact O-CD2 2.96Å; F146-F150 PolarHBondContact O-N 3.36Å
147	E	95.9	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-49.8	175.7	-72.4	-76.6	-162.5	0	0	112.5	R32 Q80 V84 R143 V144 M151 C202 I203	R32-E147 IonicContact CZ-OE1 2.69Å; R32-E147 IonicContact CZ-OE2 3.14Å; R32-E147 IonicContact NH1-OE1 3.69Å; R32-E147 PolarHBondContact NH1-OE1 3.07Å; R32-E147 IonicContact NH1-OE2 2.64Å; R32-E147 IonicContact NH2-OE1 3.57Å; R32-E147 PolarHBondContact NH2-OE1 3.49Å; R32-E147 IonicContact NH2-OE2 2.83Å; R32-E147 PolarHBondContact NH2-OE2 3.35Å; Q80-E147 PolarHBondContact NE2-OE2 3.28Å; V84-E147 HydrophobicContact CG1-CG 4.31Å; V84-E147 HydrophobicContact CG2-CG 3.77Å; R143-E147 WeakPolarHBondContact O-CB 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.29Å; R143-E147 PolarHBondContact O-N 2.73Å; V144-E147 PolarHBondContact O-N 2.96Å; E147-M151 VanDerWaalsContact O-CB 3.29Å; E147-M151 WeakPolarHBondContact O-CB 3.29Å; E147-M151 PolarHBondContact O-N 3.18Å; E147-C202 WeakPolarHBondContact OE1-CB 3.28Å; E147-I203 HydrophobicContact CB-CD1 3.96Å; E147-I203 HydrophobicContact CB-CG1 3.53Å; E147-I203 HydrophobicContact CG-CG1 4.24Å
148	A	96.9	Very high	95	Very high	40 Å²	40	52.4 Å²	52.4	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-40.7	-179.5	0	0	0	0	0	111.9	V144 V145 F146 M151 Y152	V144-A148 WeakPolarHBondContact O-CB 3.15Å; V144-A148 PolarHBondContact O-N 3.12Å; V145-A148 PolarHBondContact O-N 3.12Å; F146-A148 PolarHBondContact O-N 3.42Å; A148-M151 PolarHBondContact O-N 2.69Å; A148-Y152 VanDerWaalsContact O-CB 3.29Å; A148-Y152 WeakPolarHBondContact O-CB 3.27Å; A148-Y152 PolarHBondContact O-N 2.94Å
149	A	97.4	Very high	94.9	Very high	46 Å²	46	55.8 Å²	55.8	38%	0.38	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-47.3	178.6	0	0	0	0	0	111.8	V145 F146 Y152 V153	V145-A149 WeakPolarHBondContact O-CB 3.2Å; V145-A149 PolarHBondContact O-N 2.97Å; F146-A149 PolarHBondContact O-N 3.41Å; A149-Y152 PolarHBondContact O-N 2.98Å; A149-V153 WeakPolarHBondContact O-CB 3.47Å; A149-V153 VanDerWaalsContact O-CG2 3.29Å; A149-V153 WeakPolarHBondContact O-CG2 3.15Å; A149-V153 PolarHBondContact O-N 3.3Å
150	F	96.8	Very high	94.7	Very high	29 Å²	29	56 Å²	56	13%	0.127	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-39.3	176.9	-85.2	-80.1	0	0	0	112	L76 L79 Q80 F83 F146 Y152 V153 F154	L76-F150 HydrophobicContact CD1-CD1 3.84Å; L76-F150 HydrophobicContact CD1-CE1 3.89Å; L76-F150 HydrophobicContact CG-CD1 4.25Å; L79-F150 HydrophobicContact CB-CE1 3.78Å; L79-F150 HydrophobicContact CB-CZ 3.99Å; Q80-F150 HydrophobicContact CB-CB 3.95Å; Q80-F150 HydrophobicContact CB-CD1 3.82Å; Q80-F150 HydrophobicContact CB-CD2 4.06Å; Q80-F150 HydrophobicContact CB-CE1 4.34Å; Q80-F150 HydrophobicContact CB-CG 3.67Å; Q80-F150 HydrophobicContact CG-CB 3.67Å; Q80-F150 HydrophobicContact CG-CD1 4.47Å; Q80-F150 HydrophobicContact CG-CD2 4.12Å; Q80-F150 HydrophobicContact CG-CG 3.85Å; F83-F150 HydrophobicContact CB-CE2 3.66Å; F83-F150 HydrophobicContact CB-CZ 4.3Å; F83-F150 HydrophobicContact CD1-CE2 4.42Å; F83-F150 AromaticContact CD2-CE2 3.98Å; F83-F150 HydrophobicContact CD2-CE2 3.98Å; F83-F150 AromaticContact CD2-CZ 3.77Å; F83-F150 HydrophobicContact CD2-CZ 3.77Å; F83-F150 HydrophobicContact CE2-CZ 4.28Å; F83-F150 AromaticContact CG-CE2 3.77Å; F83-F150 HydrophobicContact CG-CE2 3.77Å; F83-F150 HydrophobicContact CG-CZ 4.05Å; F146-F150 VanDerWaalsContact O-CD2 3.27Å; F146-F150 WeakPolarHBondContact O-CD2 2.96Å; F146-F150 PolarHBondContact O-N 3.36Å; F150-Y152 VanDerWaalsContact C-N 3.34Å; F150-V153 PolarHBondContact O-N 3.18Å; F150-F154 VanDerWaalsContact O-CB 3.27Å; F150-F154 WeakPolarHBondContact O-CB 3.16Å; F150-F154 PolarHBondContact O-N 3.48Å
151	M	94.5	Very high	94.4	Very high	62 Å²	62	60 Å²	60	31%	0.305	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-41	174.7	-174.1	175.8	70.8	0	0	111.9	E147 A148 F154 Y155 I203	E147-M151 VanDerWaalsContact O-CB 3.29Å; E147-M151 WeakPolarHBondContact O-CB 3.29Å; E147-M151 PolarHBondContact O-N 3.18Å; A148-M151 PolarHBondContact O-N 2.69Å; M151-F154 PolarHBondContact O-N 3.44Å; M151-Y155 PolarHBondContact O-N 3.5Å; M151-I203 HydrophobicContact CE-CD1 3.95Å; M151-I203 HydrophobicContact SD-CD1 4.23Å
152	Y	95.6	Very high	94.1	Very high	160 Å²	160	58.2 Å²	58.2	63%	0.627	30%	0.303	S	S	*	.	H	α-helix	trans	-65.3	-48.6	175.7	179	-98.8	0	0	0	111.9	A148 A149 F150 F154 Y155 V156	A148-Y152 VanDerWaalsContact O-CB 3.29Å; A148-Y152 WeakPolarHBondContact O-CB 3.27Å; A148-Y152 PolarHBondContact O-N 2.94Å; A149-Y152 PolarHBondContact O-N 2.98Å; F150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 2.92Å; Y152-Y155 PolarHBondContact O-N 2.87Å; Y152-V156 HydrophobicContact CD1-CG2 4.4Å; Y152-V156 HydrophobicContact CD2-CG2 4.4Å; Y152-V156 HydrophobicContact CE1-CG2 4Å; Y152-V156 HydrophobicContact CE2-CG2 3.99Å; Y152-V156 WeakPolarHBondContact O-CG2 3.29Å; Y152-V156 PolarHBondContact O-N 2.92Å
153	V	95.3	Very high	93.8	Very high	59 Å²	59	55 Å²	55	36%	0.358	29%	0.289	S	S	.	.	H	α-helix	trans	-57.9	-43.9	176	169.8	0	0	0	0	110.6	L76 A149 F150 Y155 V156 M157	L76-V153 HydrophobicContact CD1-CG1 4.45Å; L76-V153 HydrophobicContact CD2-CG1 4.35Å; A149-V153 WeakPolarHBondContact O-CB 3.47Å; A149-V153 VanDerWaalsContact O-CG2 3.29Å; A149-V153 WeakPolarHBondContact O-CG2 3.15Å; A149-V153 PolarHBondContact O-N 3.3Å; F150-V153 PolarHBondContact O-N 3.18Å; V153-Y155 PolarHBondContact O-N 2.93Å; V153-V156 PolarHBondContact O-N 3.2Å; V153-M157 HydrophobicContact CG1-CE 4.02Å; V153-M157 WeakPolarHBondContact O-CB 3.01Å; V153-M157 PolarHBondContact O-N 3Å
154	F	94.7	Very high	93.5	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-49.1	177.4	-169.3	-75.3	0	0	0	111.5	H73 L76 W77 F150 M151 Y152 V156 M157 Y158 F161 T192 I196	H73-F154 HydrophobicContact CB-CE2 4.1Å; H73-F154 AromaticContact CE1-CZ 3.88Å; H73-F154 AromaticContact CG-CE2 3.91Å; H73-F154 AromaticContact CG-CZ 3.95Å; H73-F154 AromaticContact ND1-CZ 3.64Å; L76-F154 HydrophobicContact CD2-CB 4.18Å; L76-F154 HydrophobicContact CD2-CD2 3.85Å; L76-F154 HydrophobicContact CD2-CG 4.45Å; W77-F154 AromaticContact CE2-CE2 3.77Å; W77-F154 AromaticContact CZ2-CE2 3.93Å; W77-F154 HydrophobicContact CZ2-CE2 3.93Å; W77-F154 HydrophobicContact CZ2-CZ 4.11Å; W77-F154 AromaticContact NE1-CD2 3.54Å; W77-F154 AromaticContact NE1-CE2 3.21Å; F150-F154 VanDerWaalsContact O-CB 3.27Å; F150-F154 WeakPolarHBondContact O-CB 3.16Å; F150-F154 PolarHBondContact O-N 3.48Å; M151-F154 PolarHBondContact O-N 3.44Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 2.92Å; F154-V156 PolarHBondContact O-N 2.8Å; F154-M157 PolarHBondContact O-N 3.4Å; F154-Y158 AromaticContact CD1-CD2 3.92Å; F154-Y158 HydrophobicContact CD1-CD2 3.92Å; F154-Y158 AromaticContact CD2-CD2 3.87Å; F154-Y158 HydrophobicContact CD2-CD2 3.87Å; F154-Y158 AromaticContact CD2-CE2 3.67Å; F154-Y158 HydrophobicContact CD2-CE2 3.67Å; F154-Y158 AromaticContact CE1-CD2 3.84Å; F154-Y158 HydrophobicContact CE1-CD2 3.84Å; F154-Y158 AromaticContact CE2-CD2 3.78Å; F154-Y158 HydrophobicContact CE2-CD2 3.78Å; F154-Y158 AromaticContact CE2-CE2 3.63Å; F154-Y158 HydrophobicContact CE2-CE2 3.63Å; F154-Y158 AromaticContact CG-CD2 3.9Å; F154-Y158 HydrophobicContact CG-CD2 3.9Å; F154-Y158 HydrophobicContact CG-CE2 4.11Å; F154-Y158 AromaticContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CE2 4.06Å; F154-Y158 VanDerWaalsContact O-CD2 3.26Å; F154-Y158 WeakPolarHBondContact O-CD2 3.28Å; F154-Y158 PolarHBondContact O-N 2.93Å; F154-F161 HydrophobicContact CD1-CD1 4.43Å; F154-T192 HydrophobicContact CE1-CG2 3.36Å; F154-T192 HydrophobicContact CE2-CG2 4.45Å; F154-T192 HydrophobicContact CZ-CG2 3.32Å; F154-I196 HydrophobicContact CE1-CD1 4.35Å
155	Y	93.7	Very high	93.3	Very high	122 Å²	122	67.5 Å²	67.5	48%	0.478	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-42.2	-179	-178.3	-99.2	0	0	0	112.7	M151 Y152 V153 G160 F161	M151-Y155 PolarHBondContact O-N 3.5Å; Y152-Y155 PolarHBondContact O-N 2.87Å; V153-Y155 PolarHBondContact O-N 2.93Å; Y155-G160 PolarHBondContact O-N 3.34Å; Y155-F161 AromaticContact CD2-CD1 3.94Å; Y155-F161 HydrophobicContact CD2-CD1 3.94Å; Y155-F161 AromaticContact CD2-CD2 3.93Å; Y155-F161 HydrophobicContact CD2-CD2 3.93Å; Y155-F161 AromaticContact CD2-CE1 3.58Å; Y155-F161 HydrophobicContact CD2-CE1 3.58Å; Y155-F161 AromaticContact CD2-CE2 3.51Å; Y155-F161 HydrophobicContact CD2-CE2 3.51Å; Y155-F161 HydrophobicContact CD2-CG 4.16Å; Y155-F161 AromaticContact CD2-CZ 3.35Å; Y155-F161 HydrophobicContact CD2-CZ 3.35Å; Y155-F161 HydrophobicContact CE2-CD2 4.03Å; Y155-F161 AromaticContact CE2-CE2 3.71Å; Y155-F161 HydrophobicContact CE2-CE2 3.71Å; Y155-F161 HydrophobicContact CE2-CZ 4.03Å; Y155-F161 HydrophobicContact CG-CE1 4.25Å; Y155-F161 HydrophobicContact CG-CZ 4.14Å
156	V	93.8	Very high	93.2	Very high	80 Å²	80	67.4 Å²	67.4	49%	0.485	34%	0.335	S	S	.	.	H	α-helix	trans	-75.3	-37.9	-179	175.3	0	0	0	0	111.9	Y152 V153 F154	Y152-V156 HydrophobicContact CD1-CG2 4.4Å; Y152-V156 HydrophobicContact CD2-CG2 4.4Å; Y152-V156 HydrophobicContact CE1-CG2 4Å; Y152-V156 HydrophobicContact CE2-CG2 3.99Å; Y152-V156 WeakPolarHBondContact O-CG2 3.29Å; Y152-V156 PolarHBondContact O-N 2.92Å; V153-V156 PolarHBondContact O-N 3.2Å; F154-V156 PolarHBondContact O-N 2.8Å
157	M	92.5	Very high	93	Very high	66 Å²	66	65.1 Å²	65.1	33%	0.325	33%	0.326	S	S	.	.	H	α-helix	trans	-74	-32.4	-175	-175.6	173.4	-71.5	0	0	113.3	P70 I71 V153 F154	P70-M157 HydrophobicContact CG-CG 4.23Å; P70-M157 HydrophobicContact CG-SD 4.03Å; I71-M157 HydrophobicContact CB-SD 4.44Å; V153-M157 HydrophobicContact CG1-CE 4.02Å; V153-M157 WeakPolarHBondContact O-CB 3.01Å; V153-M157 PolarHBondContact O-N 3Å; F154-M157 PolarHBondContact O-N 3.4Å
158	Y	91.3	Very high	93	Very high	22 Å²	22	71.5 Å²	71.5	9%	0.086	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	23	-175	-54.1	-65.2	0	0	0	113.5	I71 H73 L76 F154 G160	I71-Y158 PolarHBondContact O-OH 3.43Å; H73-Y158 AromaticContact CD2-CD1 3.69Å; H73-Y158 AromaticContact CD2-CD2 3.89Å; H73-Y158 AromaticContact CD2-CE1 3.31Å; H73-Y158 WeakPolarHBondContact CD2-CE1 3.48Å; H73-Y158 AromaticContact CD2-CE2 3.53Å; H73-Y158 AromaticContact CD2-CG 3.96Å; H73-Y158 AromaticContact CD2-CZ 3.21Å; H73-Y158 AromaticContact NE2-CD1 3.29Å; H73-Y158 VanDerWaalsContact NE2-CD1 3.29Å; H73-Y158 WeakPolarHBondContact NE2-CD1 3.1Å; H73-Y158 AromaticContact NE2-CD2 3.76Å; H73-Y158 AromaticContact NE2-CE1 3.45Å; H73-Y158 WeakPolarHBondContact NE2-CE1 3.37Å; H73-Y158 AromaticContact NE2-CE2 3.9Å; H73-Y158 AromaticContact NE2-CG 3.45Å; H73-Y158 AromaticContact NE2-CZ 3.75Å; L76-Y158 HydrophobicContact CD2-CE2 3.81Å; F154-Y158 AromaticContact CD1-CD2 3.92Å; F154-Y158 HydrophobicContact CD1-CD2 3.92Å; F154-Y158 AromaticContact CD2-CD2 3.87Å; F154-Y158 HydrophobicContact CD2-CD2 3.87Å; F154-Y158 AromaticContact CD2-CE2 3.67Å; F154-Y158 HydrophobicContact CD2-CE2 3.67Å; F154-Y158 AromaticContact CE1-CD2 3.84Å; F154-Y158 HydrophobicContact CE1-CD2 3.84Å; F154-Y158 AromaticContact CE2-CD2 3.78Å; F154-Y158 HydrophobicContact CE2-CD2 3.78Å; F154-Y158 AromaticContact CE2-CE2 3.63Å; F154-Y158 HydrophobicContact CE2-CE2 3.63Å; F154-Y158 AromaticContact CG-CD2 3.9Å; F154-Y158 HydrophobicContact CG-CD2 3.9Å; F154-Y158 HydrophobicContact CG-CE2 4.11Å; F154-Y158 AromaticContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CE2 4.06Å; F154-Y158 VanDerWaalsContact O-CD2 3.26Å; F154-Y158 WeakPolarHBondContact O-CD2 3.28Å; F154-Y158 PolarHBondContact O-N 2.93Å; Y158-G160 PolarHBondContact O-N 3.44Å
159	D	89.1	Confident	93	Very high	126 Å²	126	69.6 Å²	69.6	67%	0.674	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	44.1	179.4	-67	-42	0	0	0	113.1
160	G	90.1	Very high	93	Very high	10 Å²	10	72.8 Å²	72.8	10%	0.103	35%	0.348	C	S	.	.	S	Bend	trans	115.1	-151.3	178.9	0	0	0	0	0	114.4	Y155 Y158	Y155-G160 PolarHBondContact O-N 3.34Å; Y158-G160 PolarHBondContact O-N 3.44Å
161	F	87.4	Confident	92.9	Very high	84 Å²	84	72.1 Å²	72.1	37%	0.368	35%	0.349	S	S	.	.	S	Bend	trans	-111.1	3.2	-173.5	-59.7	-53.1	0	0	0	113.8	F154 Y155 I196	F154-F161 HydrophobicContact CD1-CD1 4.43Å; Y155-F161 AromaticContact CD2-CD1 3.94Å; Y155-F161 HydrophobicContact CD2-CD1 3.94Å; Y155-F161 AromaticContact CD2-CD2 3.93Å; Y155-F161 HydrophobicContact CD2-CD2 3.93Å; Y155-F161 AromaticContact CD2-CE1 3.58Å; Y155-F161 HydrophobicContact CD2-CE1 3.58Å; Y155-F161 AromaticContact CD2-CE2 3.51Å; Y155-F161 HydrophobicContact CD2-CE2 3.51Å; Y155-F161 HydrophobicContact CD2-CG 4.16Å; Y155-F161 AromaticContact CD2-CZ 3.35Å; Y155-F161 HydrophobicContact CD2-CZ 3.35Å; Y155-F161 HydrophobicContact CE2-CD2 4.03Å; Y155-F161 AromaticContact CE2-CE2 3.71Å; Y155-F161 HydrophobicContact CE2-CE2 3.71Å; Y155-F161 HydrophobicContact CE2-CZ 4.03Å; Y155-F161 HydrophobicContact CG-CE1 4.25Å; Y155-F161 HydrophobicContact CG-CZ 4.14Å; F161-I196 HydrophobicContact CB-CD1 3.88Å; F161-I196 HydrophobicContact CD1-CD1 3.15Å; F161-I196 HydrophobicContact CD1-CG1 4.1Å; F161-I196 HydrophobicContact CE1-CD1 3.76Å; F161-I196 HydrophobicContact CE1-CG1 4.23Å; F161-I196 HydrophobicContact CE1-CG2 4.2Å; F161-I196 HydrophobicContact CG-CD1 3.74Å; F161-I196 HydrophobicContact CZ-CG2 4.49Å
162	S	88.9	Confident	93	Very high	72 Å²	72	80 Å²	80	50%	0.503	38%	0.375	S	S	.	.	S	Bend	trans	-121.3	135.4	-176.5	60.1	0	0	0	0	111.2	Q164	S162-Q164 PolarHBondContact O-N 2.86Å
163	M	88.3	Confident	93	Very high	26 Å²	26	73.8 Å²	73.8	13%	0.128	35%	0.354	C	S	.	.			trans	-80.5	117.7	176.2	-159.3	63.7	-109.5	0	0	109.5	F69 V182 P185 K188 T189	F69-M163 HydrophobicContact CE1-CE 3.27Å; F69-M163 HydrophobicContact CE1-SD 3.66Å; F69-M163 HydrophobicContact CZ-CE 3.28Å; F69-M163 HydrophobicContact CZ-SD 4.14Å; M163-V182 HydrophobicContact CE-CG1 4.2Å; M163-V182 HydrophobicContact CE-CG2 4.13Å; M163-V182 HydrophobicContact CG-CG1 3.97Å; M163-V182 HydrophobicContact SD-CG1 4.46Å; M163-P185 HydrophobicContact CB-CB 4.15Å; M163-P185 WeakPolarHBondContact CB-O 3.41Å; M163-P185 HydrophobicContact CG-CB 4.06Å; M163-K188 HydrophobicContact CB-CB 4.36Å; M163-K188 HydrophobicContact CG-CB 4.24Å; M163-K188 HydrophobicContact CG-CD 4.43Å; M163-T189 VanDerWaalsContact CB-OG1 3.31Å; M163-T189 WeakPolarHBondContact CB-OG1 3.26Å; M163-T189 PolarHBondContact N-OG1 3.43Å
164	Q	90.2	Very high	93	Very high	102 Å²	102	71.7 Å²	71.7	48%	0.477	34%	0.342	S	S	.	.			trans	-68.5	143.3	175	-61.4	-178.1	12.5	0	0	110.5	S162	S162-Q164 PolarHBondContact O-N 2.86Å
165	R	92.4	Very high	93	Very high	195 Å²	195	74.5 Å²	74.5	74%	0.736	36%	0.361	S	S	*	.	S	Bend	trans	-71.6	-34.2	177.6	-68.4	-172.9	-87.3	174	-4.7	112.4	F181 V182 P185	R165-F181 WeakPolarHBondContact O-CA 3.27Å; R165-V182 PolarHBondContact O-N 3.03Å; R165-V182 VanDerWaalsContact O-N 3.15Å; R165-P185 HydrophobicContact CB-CG 4.2Å; R165-P185 HydrophobicContact CG-CB 4.2Å; R165-P185 HydrophobicContact CG-CG 3.57Å
166	L	94.3	Very high	93.1	Very high	56 Å²	56	75.1 Å²	75.1	29%	0.293	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136	-177.6	174.8	150	0	0	0	108.4	K168 D179 C180 F181	L166-K168 HydrophobicContact CD2-CG 3.75Å; L166-D179 HydrophobicContact CD1-CB 3.89Å; L166-D179 HydrophobicContact CG-CB 4.36Å; L166-C180 CarbonylContact C-O 3.59Å; L166-C180 VanDerWaalsContact CA-O 3.3Å; L166-C180 WeakPolarHBondContact CA-O 3.3Å; L166-F181 HydrophobicContact CB-CD1 4.44Å; L166-F181 HydrophobicContact CB-CE1 4.41Å; L166-F181 HydrophobicContact CD1-CD1 4.47Å; L166-F181 HydrophobicContact CD1-CE1 3.74Å; L166-F181 HydrophobicContact CD1-CZ 3.85Å; L166-F181 HydrophobicContact CG-CE1 4.49Å
167	V	94.7	Very high	93.2	Very high	5 Å²	5	75 Å²	75	3%	0.03	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.2	172.4	-61.7	0	0	0	0	109.2	F51 Y68 C180 V182	F51-V167 HydrophobicContact CE2-CG2 4.1Å; F51-V167 HydrophobicContact CZ-CG2 4.1Å; Y68-V167 HydrophobicContact CD1-CB 3.92Å; Y68-V167 HydrophobicContact CD1-CG1 3.87Å; Y68-V167 HydrophobicContact CD1-CG2 4.36Å; Y68-V167 HydrophobicContact CD2-CB 4.06Å; Y68-V167 HydrophobicContact CD2-CG2 3.74Å; Y68-V167 HydrophobicContact CE1-CB 3.72Å; Y68-V167 HydrophobicContact CE1-CG1 3.99Å; Y68-V167 HydrophobicContact CE1-CG2 4.46Å; Y68-V167 HydrophobicContact CE2-CB 3.85Å; Y68-V167 HydrophobicContact CE2-CG2 3.85Å; Y68-V167 HydrophobicContact CG-CB 4.09Å; Y68-V167 HydrophobicContact CG-CG1 4.26Å; Y68-V167 HydrophobicContact CG-CG2 4.01Å; V167-C180 HydrophobicContact CG2-CB 3.8Å; V167-C180 PolarHBondContact N-O 3.33Å; V167-C180 PolarHBondContact O-N 3.49Å; V167-V182 HydrophobicContact CG1-CG2 4.31Å
168	K	96.1	Very high	93.4	Very high	133 Å²	133	72.2 Å²	72.2	58%	0.578	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	93	-175.6	-74.7	-164.4	172.8	-173.9	0	110.9	Y68 L166 T177	Y68-K168 VanDerWaalsContact OH-C 3.25Å; Y68-K168 PolarHBondContact OH-N 2.85Å; Y68-K168 PolarHBondContact OH-O 2.88Å; L166-K168 HydrophobicContact CD2-CG 3.75Å; K168-T177 HydrophobicContact CB-CG2 3.71Å; K168-T177 HydrophobicContact CD-CG2 4.4Å; K168-T177 HydrophobicContact CG-CG2 4.36Å
169	C	96.6	Very high	93.7	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130	-171.7	-178.9	0	0	0	0	112.5	C64 Y68 T177 V178	C64-C169 WeakPolarHBondContact CA-SG 3.45Å; C64-C169 HydrophobicContact CB-CB 3.71Å; C64-C169 WeakPolarHBondContact CB-SG 3.33Å; C64-C169 WeakPolarHBondContact SG-CB 3.39Å; C64-C169 CovalentContact SG-SG 2.02Å; C64-C169 PolarHBondContact SG-SG 2.97Å; Y68-C169 HydrophobicContact CE2-CB 3.88Å; C169-T177 CarbonylContact O-C 3.56Å; C169-T177 WeakPolarHBondContact O-CA 3.32Å; C169-V178 HydrophobicContact CB-CG2 3.97Å; C169-V178 PolarHBondContact N-O 3.46Å; C169-V178 PolarHBondContact O-N 3.16Å
170	N	96.5	Very high	94.1	Very high	113 Å²	113	67.8 Å²	67.8	60%	0.604	34%	0.337	S	S	*	.			trans	-121.6	26.4	174.2	-166.9	23	0	0	0	112	N176	N170-N176 VanDerWaalsContact OD1-C 3.3Å; N170-N176 PolarHBondContact OD1-O 3.07Å; N170-N176 VanDerWaalsContact OD1-O 3.08Å
171	A	95.5	Very high	94.4	Very high	16 Å²	16	72 Å²	72	13%	0.132	35%	0.352	C	S	.	.			trans	-79.5	141.6	-177.9	0	0	0	0	0	111.2	V63 C174	V63-A171 HydrophobicContact CB-CB 4.5Å; V63-A171 HydrophobicContact CG1-CB 3.65Å; A171-C174 WeakPolarHBondContact O-CB 3.48Å; A171-C174 PolarHBondContact O-N 3.09Å; A171-C174 PolarHBondContact O-SG 3.23Å
172	W	95.2	Very high	94.7	Very high	227 Å²	227	68.6 Å²	68.6	86%	0.86	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	131.7	172.7	179.8	87.6	0	0	0	109.8	V63	V63-W172 WeakPolarHBondContact CG1-O 3.48Å
173	P	95.9	Very high	94.9	Very high	30 Å²	30	65.8 Å²	65.8	20%	0.195	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	cis	-100	22.1	19.3	39.3	-38.3	0	0	0	115.7	Q57	Q57-P173 VanDerWaalsContact CG-O 3.26Å; Q57-P173 WeakPolarHBondContact CG-O 3.44Å
174	C	95.8	Very high	95.1	Very high	15 Å²	15	69.5 Å²	69.5	10%	0.101	33%	0.331	C	S	.	.	S	Bend	trans	-66.1	140.9	-175.1	-57	0	0	0	0	113.3	C60 C64 A171 N176 V178	C60-C174 VanDerWaalsContact CA-SG 3.52Å; C60-C174 HydrophobicContact CB-CB 4.08Å; C60-C174 WeakPolarHBondContact CB-SG 3.47Å; C60-C174 WeakPolarHBondContact SG-CB 3.25Å; C60-C174 CovalentContact SG-SG 2.03Å; C60-C174 PolarHBondContact SG-SG 3.3Å; C64-C174 PolarHBondContact SG-SG 3.46Å; A171-C174 WeakPolarHBondContact O-CB 3.48Å; A171-C174 PolarHBondContact O-N 3.09Å; A171-C174 PolarHBondContact O-SG 3.23Å; C174-N176 PolarHBondContact O-N 3.46Å; C174-V178 HydrophobicContact CB-CG1 4.21Å; C174-V178 HydrophobicContact CB-CG2 4.18Å
175	P	95	Very high	95.3	Very high	65 Å²	65	65.5 Å²	65.5	42%	0.422	31%	0.314	S	S	.	.	S	Bend	trans	-75.8	105.8	174.3	30.2	-32.5	0	0	0	109.8	Q57 V178	Q57-P175 HydrophobicContact CB-CG 4.34Å; P175-V178 HydrophobicContact CG-CG1 4.24Å
176	N	94.8	Very high	95.4	Very high	134 Å²	134	61 Å²	61	72%	0.717	31%	0.309	S	S	*	.	S	Bend	trans	54.8	-144.7	-175.3	-51.4	-58.3	0	0	0	111.5	N170 C174	N170-N176 VanDerWaalsContact OD1-C 3.3Å; N170-N176 PolarHBondContact OD1-O 3.07Å; N170-N176 VanDerWaalsContact OD1-O 3.08Å; C174-N176 PolarHBondContact O-N 3.46Å
177	T	96.9	Very high	95.3	Very high	77 Å²	77	61.5 Å²	61.5	47%	0.472	31%	0.309	S	S	.	.	S	Bend	trans	-88.3	119.6	175.1	-52.9	0	0	0	0	110.4	K168 C169	K168-T177 HydrophobicContact CB-CG2 3.71Å; K168-T177 HydrophobicContact CD-CG2 4.4Å; K168-T177 HydrophobicContact CG-CG2 4.36Å; C169-T177 CarbonylContact O-C 3.56Å; C169-T177 WeakPolarHBondContact O-CA 3.32Å
178	V	96.9	Very high	95.3	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	147	175	-58.5	0	0	0	0	110.7	C169 C174 P175	C169-V178 HydrophobicContact CB-CG2 3.97Å; C169-V178 PolarHBondContact N-O 3.46Å; C169-V178 PolarHBondContact O-N 3.16Å; C174-V178 HydrophobicContact CB-CG1 4.21Å; C174-V178 HydrophobicContact CB-CG2 4.18Å; P175-V178 HydrophobicContact CG-CG1 4.24Å
179	D	97.4	Very high	95.1	Very high	55 Å²	55	56.6 Å²	56.6	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.3	174.3	-69.6	-26.1	0	0	0	109.8	C53 N54 L166 F181	C53-D179 CarbonylContact C-O 3.59Å; C53-D179 WeakPolarHBondContact CA-O 3.4Å; N54-D179 PolarHBondContact N-O 2.81Å; L166-D179 HydrophobicContact CD1-CB 3.89Å; L166-D179 HydrophobicContact CG-CB 4.36Å; D179-F181 HydrophobicContact CB-CE2 4.35Å
180	C	97.1	Very high	94.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.5	173.3	-56	0	0	0	0	111.1	F51 V52 C53 L166 V167	F51-C180 HydrophobicContact CE1-CB 3.95Å; F51-C180 HydrophobicContact CE2-CB 3.83Å; F51-C180 HydrophobicContact CZ-CB 3.36Å; V52-C180 CarbonylContact O-C 3.57Å; V52-C180 VanDerWaalsContact O-CA 3.28Å; V52-C180 WeakPolarHBondContact O-CA 3.35Å; C53-C180 HydrophobicContact CB-CB 4.07Å; C53-C180 WeakPolarHBondContact CB-SG 3.33Å; C53-C180 WeakPolarHBondContact SG-CB 3.31Å; C53-C180 CovalentContact SG-SG 2.05Å; C53-C180 PolarHBondContact SG-SG 2.92Å; L166-C180 CarbonylContact C-O 3.59Å; L166-C180 VanDerWaalsContact CA-O 3.3Å; L166-C180 WeakPolarHBondContact CA-O 3.3Å; V167-C180 HydrophobicContact CG2-CB 3.8Å; V167-C180 PolarHBondContact N-O 3.33Å; V167-C180 PolarHBondContact O-N 3.49Å
181	F	96.5	Very high	94.7	Very high	98 Å²	98	57 Å²	57	43%	0.43	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.4	-175.2	-61.6	-90.5	0	0	0	110.1	F51 V52 R165 L166 D179	F51-F181 WeakPolarHBondContact CD2-O 3.41Å; V52-F181 PolarHBondContact N-O 3.3Å; V52-F181 PolarHBondContact O-N 2.87Å; R165-F181 WeakPolarHBondContact O-CA 3.27Å; L166-F181 HydrophobicContact CB-CD1 4.44Å; L166-F181 HydrophobicContact CB-CE1 4.41Å; L166-F181 HydrophobicContact CD1-CD1 4.47Å; L166-F181 HydrophobicContact CD1-CE1 3.74Å; L166-F181 HydrophobicContact CD1-CZ 3.85Å; L166-F181 HydrophobicContact CG-CE1 4.49Å; D179-F181 HydrophobicContact CB-CE2 4.35Å
182	V	94.3	Very high	94.6	Very high	12 Å²	12	56.3 Å²	56.3	7%	0.073	29%	0.287	C	S	.	.			trans	-86.5	137.4	-179.1	-178.6	0	0	0	0	109.5	F51 F69 M163 R165 V167 P185	F51-V182 HydrophobicContact CD2-CG2 4.4Å; F51-V182 HydrophobicContact CE2-CG2 4.14Å; F69-V182 HydrophobicContact CE2-CG2 4.08Å; F69-V182 HydrophobicContact CZ-CG1 4.06Å; F69-V182 HydrophobicContact CZ-CG2 3.76Å; M163-V182 HydrophobicContact CE-CG1 4.2Å; M163-V182 HydrophobicContact CE-CG2 4.13Å; M163-V182 HydrophobicContact CG-CG1 3.97Å; M163-V182 HydrophobicContact SD-CG1 4.46Å; R165-V182 PolarHBondContact O-N 3.03Å; R165-V182 VanDerWaalsContact O-N 3.15Å; V167-V182 HydrophobicContact CG1-CG2 4.31Å; V182-P185 WeakPolarHBondContact O-CD 3.43Å
183	S	93.2	Very high	94.5	Very high	13 Å²	13	49.4 Å²	49.4	9%	0.091	27%	0.27	C	S	.	.	S	Bend	trans	-71	134.3	175.7	64.9	0	0	0	0	112.1	D50 K188	D50-S183 VanDerWaalsContact CB-CB 3.42Å; S183-K188 WeakPolarHBondContact O-CD 3.29Å; S183-K188 VanDerWaalsContact O-CE 3.26Å; S183-K188 WeakPolarHBondContact O-CE 3.49Å; S183-K188 PolarHBondContact O-NZ 3.31Å; S183-K188 PolarHBondContact OG-NZ 3.1Å
184	R	92.9	Very high	94.3	Very high	105 Å²	105	53.9 Å²	53.9	40%	0.396	29%	0.286	S	S	.	.	S	Bend	trans	43.3	53.2	175.8	-47.4	-169.8	-166.1	173	8	114.8	E42 T186 E187 K188	E42-R184 PolarHBondContact O-NH1 3.43Å; R184-T186 VanDerWaalsContact C-N 3.33Å; R184-T186 PolarHBondContact O-N 3.33Å; R184-E187 HydrophobicContact CB-CB 4.11Å; R184-E187 WeakPolarHBondContact CD-OE2 3.2Å; R184-E187 IonicContact NH1-OE2 3.54Å; R184-E187 PolarHBondContact O-N 2.92Å; R184-K188 WeakPolarHBondContact O-CG 3.42Å; R184-K188 PolarHBondContact O-N 3.28Å
185	P	93.7	Very high	94.1	Very high	17 Å²	17	53.3 Å²	53.3	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-33.5	-171.1	26	-32.7	0	0	0	112.6	M163 R165 V182 T189	M163-P185 HydrophobicContact CB-CB 4.15Å; M163-P185 WeakPolarHBondContact CB-O 3.41Å; M163-P185 HydrophobicContact CG-CB 4.06Å; R165-P185 HydrophobicContact CB-CG 4.2Å; R165-P185 HydrophobicContact CG-CB 4.2Å; R165-P185 HydrophobicContact CG-CG 3.57Å; V182-P185 WeakPolarHBondContact O-CD 3.43Å; P185-T189 WeakPolarHBondContact O-CB 3.23Å; P185-T189 PolarHBondContact O-N 3.27Å; P185-T189 PolarHBondContact O-OG1 3.22Å
186	T	93.9	Very high	94	Very high	102 Å²	102	51.7 Å²	51.7	63%	0.626	27%	0.269	S	S	*	.	H	α-helix	trans	-65.9	-47.2	175.7	47.6	0	0	0	0	111.4	R184 T189 V190	R184-T186 VanDerWaalsContact C-N 3.33Å; R184-T186 PolarHBondContact O-N 3.33Å; T186-T189 WeakPolarHBondContact O-CB 3.06Å; T186-T189 PolarHBondContact O-N 2.72Å; T186-V190 WeakPolarHBondContact O-CG2 3.38Å; T186-V190 PolarHBondContact O-N 2.89Å
187	E	92.7	Very high	93.9	Very high	65 Å²	65	47.8 Å²	47.8	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-47.9	176.6	-171.4	174.7	-167	0	0	111.3	V43 R184 T189 V190 F191	V43-E187 HydrophobicContact CG1-CB 4.4Å; V43-E187 HydrophobicContact CG1-CG 3.9Å; V43-E187 HydrophobicContact CG2-CG 3.98Å; V43-E187 VanDerWaalsContact CG2-OE1 3.28Å; V43-E187 WeakPolarHBondContact CG2-OE1 3.29Å; R184-E187 HydrophobicContact CB-CB 4.11Å; R184-E187 WeakPolarHBondContact CD-OE2 3.2Å; R184-E187 IonicContact NH1-OE2 3.54Å; R184-E187 PolarHBondContact O-N 2.92Å; E187-T189 VanDerWaalsContact C-N 3.25Å; E187-T189 PolarHBondContact O-N 2.94Å; E187-V190 PolarHBondContact O-N 3.16Å; E187-V190 VanDerWaalsContact O-N 3.12Å; E187-F191 HydrophobicContact CG-CD2 3.99Å; E187-F191 HydrophobicContact CG-CE2 3.86Å; E187-F191 WeakPolarHBondContact O-CD2 3.31Å; E187-F191 PolarHBondContact O-N 2.86Å
188	K	93.7	Very high	93.7	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-39.5	174	-73.6	178.5	178.4	161.9	0	112.3	V43 W44 M163 S183 R184 T192	V43-K188 HydrophobicContact CG1-CG 3.66Å; V43-K188 WeakPolarHBondContact O-CE 3.19Å; W44-K188 HydrophobicContact CD2-CG 4.42Å; W44-K188 HydrophobicContact CH2-CB 4.14Å; W44-K188 HydrophobicContact CH2-CG 4.11Å; W44-K188 HydrophobicContact CZ2-CB 3.83Å; W44-K188 HydrophobicContact CZ2-CD 4.43Å; W44-K188 HydrophobicContact CZ2-CG 3.73Å; M163-K188 HydrophobicContact CB-CB 4.36Å; M163-K188 HydrophobicContact CG-CB 4.24Å; M163-K188 HydrophobicContact CG-CD 4.43Å; S183-K188 WeakPolarHBondContact O-CD 3.29Å; S183-K188 VanDerWaalsContact O-CE 3.26Å; S183-K188 WeakPolarHBondContact O-CE 3.49Å; S183-K188 PolarHBondContact O-NZ 3.31Å; S183-K188 PolarHBondContact OG-NZ 3.1Å; R184-K188 WeakPolarHBondContact O-CG 3.42Å; R184-K188 PolarHBondContact O-N 3.28Å; K188-T192 VanDerWaalsContact O-CB 3.25Å; K188-T192 WeakPolarHBondContact O-CB 3.38Å; K188-T192 PolarHBondContact O-N 2.94Å; K188-T192 PolarHBondContact O-OG1 2.68Å
189	T	93.4	Very high	93.6	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.184	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-44.4	176.6	-60.1	0	0	0	0	111.4	M163 P185 T186 E187 F191 T192 V193	M163-T189 VanDerWaalsContact CB-OG1 3.31Å; M163-T189 WeakPolarHBondContact CB-OG1 3.26Å; M163-T189 PolarHBondContact N-OG1 3.43Å; P185-T189 WeakPolarHBondContact O-CB 3.23Å; P185-T189 PolarHBondContact O-N 3.27Å; P185-T189 PolarHBondContact O-OG1 3.22Å; T186-T189 WeakPolarHBondContact O-CB 3.06Å; T186-T189 PolarHBondContact O-N 2.72Å; E187-T189 VanDerWaalsContact C-N 3.25Å; E187-T189 PolarHBondContact O-N 2.94Å; T189-F191 PolarHBondContact O-N 3.35Å; T189-T192 WeakPolarHBondContact O-CB 3.45Å; T189-T192 PolarHBondContact O-N 2.95Å; T189-V193 HydrophobicContact CG2-CG2 4.3Å; T189-V193 WeakPolarHBondContact O-CG2 3.45Å; T189-V193 PolarHBondContact O-N 3.45Å
190	V	92.7	Very high	93.4	Very high	78 Å²	78	43 Å²	43	47%	0.473	23%	0.234	S	C	.	.	H	α-helix	trans	-57.8	-52.2	178	170	0	0	0	0	110.6	T186 E187 T192 V193 F194	T186-V190 WeakPolarHBondContact O-CG2 3.38Å; T186-V190 PolarHBondContact O-N 2.89Å; E187-V190 PolarHBondContact O-N 3.16Å; E187-V190 VanDerWaalsContact O-N 3.12Å; V190-T192 VanDerWaalsContact C-N 3.28Å; V190-T192 PolarHBondContact O-N 2.92Å; V190-V193 PolarHBondContact O-N 3.4Å; V190-F194 HydrophobicContact CG1-CD2 3.77Å; V190-F194 HydrophobicContact CG1-CE2 3.6Å; V190-F194 WeakPolarHBondContact O-CD2 3.26Å; V190-F194 PolarHBondContact O-N 3.23Å
191	F	92.3	Very high	93.3	Very high	43 Å²	43	47.2 Å²	47.2	19%	0.189	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-37.7	176.8	-82.6	-75.3	0	0	0	112.7	I35 A39 V43 W44 W77 E187 T189 F194 M195	I35-F191 HydrophobicContact CG2-CD1 3.85Å; I35-F191 HydrophobicContact CG2-CE1 4.4Å; A39-F191 HydrophobicContact CB-CD1 4.02Å; A39-F191 HydrophobicContact CB-CE1 4.17Å; A39-F191 HydrophobicContact CB-CG 4.38Å; V43-F191 HydrophobicContact CG1-CD2 4.33Å; V43-F191 HydrophobicContact CG2-CD2 3.95Å; V43-F191 HydrophobicContact CG2-CE2 3.55Å; V43-F191 HydrophobicContact CG2-CZ 4.22Å; W44-F191 HydrophobicContact CH2-CB 3.6Å; W44-F191 HydrophobicContact CH2-CG 4.4Å; W44-F191 HydrophobicContact CZ3-CB 3.76Å; W44-F191 HydrophobicContact CZ3-CD2 4.29Å; W44-F191 HydrophobicContact CZ3-CG 4.09Å; W77-F191 HydrophobicContact CH2-CB 4.37Å; E187-F191 HydrophobicContact CG-CD2 3.99Å; E187-F191 HydrophobicContact CG-CE2 3.86Å; E187-F191 WeakPolarHBondContact O-CD2 3.31Å; E187-F191 PolarHBondContact O-N 2.86Å; T189-F191 PolarHBondContact O-N 3.35Å; F191-F194 PolarHBondContact O-N 3.04Å; F191-M195 WeakPolarHBondContact O-CG 3.11Å; F191-M195 PolarHBondContact O-N 2.87Å
192	T	92.6	Very high	93.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-48.3	176.1	-62.7	0	0	0	0	111.7	H73 W77 F154 K188 T189 V190 F194 M195 I196	H73-T192 PolarHBondContact ND1-OG1 3.45Å; W77-T192 HydrophobicContact CZ2-CG2 4.22Å; W77-T192 WeakPolarHBondContact CZ2-OG1 3.38Å; F154-T192 HydrophobicContact CE1-CG2 3.36Å; F154-T192 HydrophobicContact CE2-CG2 4.45Å; F154-T192 HydrophobicContact CZ-CG2 3.32Å; K188-T192 VanDerWaalsContact O-CB 3.25Å; K188-T192 WeakPolarHBondContact O-CB 3.38Å; K188-T192 PolarHBondContact O-N 2.94Å; K188-T192 PolarHBondContact O-OG1 2.68Å; T189-T192 WeakPolarHBondContact O-CB 3.45Å; T189-T192 PolarHBondContact O-N 2.95Å; V190-T192 VanDerWaalsContact C-N 3.28Å; V190-T192 PolarHBondContact O-N 2.92Å; T192-F194 VanDerWaalsContact C-N 3.34Å; T192-F194 PolarHBondContact O-N 3.5Å; T192-M195 PolarHBondContact O-N 3.31Å; T192-I196 HydrophobicContact CG2-CD1 3.54Å; T192-I196 HydrophobicContact CG2-CG1 4.45Å; T192-I196 VanDerWaalsContact O-CD1 3.31Å; T192-I196 WeakPolarHBondContact O-CD1 3.33Å; T192-I196 VanDerWaalsContact O-CG1 3.29Å; T192-I196 WeakPolarHBondContact O-CG1 3.44Å; T192-I196 PolarHBondContact O-N 3.37Å
193	V	92.6	Very high	93.2	Very high	81 Å²	81	43.4 Å²	43.4	49%	0.491	24%	0.239	S	C	.	.	H	α-helix	trans	-59.5	-43.9	176.7	171.3	0	0	0	0	111.1	T189 V190 M195 I196 A197	T189-V193 HydrophobicContact CG2-CG2 4.3Å; T189-V193 WeakPolarHBondContact O-CG2 3.45Å; T189-V193 PolarHBondContact O-N 3.45Å; V190-V193 PolarHBondContact O-N 3.4Å; V193-M195 PolarHBondContact O-N 2.91Å; V193-I196 PolarHBondContact O-N 2.87Å; V193-A197 WeakPolarHBondContact O-CB 3.15Å; V193-A197 PolarHBondContact O-N 3.34Å
194	F	91.5	Very high	93.3	Very high	125 Å²	125	48.3 Å²	48.3	55%	0.548	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-46.4	175.1	-84.3	-68.5	0	0	0	112.1	I35 V190 F191 T192 I196 A197 V198	I35-F194 HydrophobicContact CD1-CB 4.27Å; V190-F194 HydrophobicContact CG1-CD2 3.77Å; V190-F194 HydrophobicContact CG1-CE2 3.6Å; V190-F194 WeakPolarHBondContact O-CD2 3.26Å; V190-F194 PolarHBondContact O-N 3.23Å; F191-F194 PolarHBondContact O-N 3.04Å; T192-F194 VanDerWaalsContact C-N 3.34Å; T192-F194 PolarHBondContact O-N 3.5Å; F194-I196 PolarHBondContact O-N 3.38Å; F194-A197 PolarHBondContact O-N 3.49Å; F194-V198 VanDerWaalsContact O-CG2 3.3Å; F194-V198 WeakPolarHBondContact O-CG2 3.39Å; F194-V198 PolarHBondContact O-N 3.02Å
195	M	92.1	Very high	93.3	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-38.7	179.4	-75.3	-64.2	-73	0	0	112.7	R32 I35 L36 W77 F191 T192 V193 S199	R32-M195 HydrophobicContact CB-CE 4.49Å; R32-M195 HydrophobicContact CG-CE 4.29Å; R32-M195 HydrophobicContact CG-SD 4.44Å; I35-M195 HydrophobicContact CB-SD 3.88Å; I35-M195 HydrophobicContact CD1-SD 4.04Å; I35-M195 HydrophobicContact CG2-CG 3.79Å; I35-M195 HydrophobicContact CG2-SD 3.56Å; I35-M195 VanDerWaalsContact CG2-SD 3.56Å; L36-M195 HydrophobicContact CG-CE 4.43Å; W77-M195 HydrophobicContact CB-CE 3.86Å; W77-M195 HydrophobicContact CD2-CB 4.23Å; W77-M195 HydrophobicContact CD2-CE 3.9Å; W77-M195 HydrophobicContact CD2-CG 3.92Å; W77-M195 HydrophobicContact CE3-CE 4.15Å; W77-M195 HydrophobicContact CE3-CG 3.83Å; W77-M195 HydrophobicContact CG-CE 3.77Å; W77-M195 HydrophobicContact CH2-CB 4.32Å; W77-M195 HydrophobicContact CH2-CG 3.97Å; W77-M195 HydrophobicContact CZ2-CB 3.95Å; W77-M195 HydrophobicContact CZ2-CG 4.06Å; W77-M195 HydrophobicContact CZ3-CG 3.86Å; F191-M195 WeakPolarHBondContact O-CG 3.11Å; F191-M195 PolarHBondContact O-N 2.87Å; T192-M195 PolarHBondContact O-N 3.31Å; V193-M195 PolarHBondContact O-N 2.91Å; M195-S199 WeakPolarHBondContact O-CB 3.29Å; M195-S199 PolarHBondContact O-N 3.39Å; M195-S199 PolarHBondContact O-OG 3.36Å
196	I	92.8	Very high	93.3	Very high	31 Å²	31	44.3 Å²	44.3	16%	0.159	25%	0.249	C	C	.	.	H	α-helix	trans	-67.9	-44.5	175.7	-65.7	153.8	0	0	0	110.8	F154 F161 T192 V193 F194 V198 S199 G200	F154-I196 HydrophobicContact CE1-CD1 4.35Å; F161-I196 HydrophobicContact CB-CD1 3.88Å; F161-I196 HydrophobicContact CD1-CD1 3.15Å; F161-I196 HydrophobicContact CD1-CG1 4.1Å; F161-I196 HydrophobicContact CE1-CD1 3.76Å; F161-I196 HydrophobicContact CE1-CG1 4.23Å; F161-I196 HydrophobicContact CE1-CG2 4.2Å; F161-I196 HydrophobicContact CG-CD1 3.74Å; F161-I196 HydrophobicContact CZ-CG2 4.49Å; T192-I196 HydrophobicContact CG2-CD1 3.54Å; T192-I196 HydrophobicContact CG2-CG1 4.45Å; T192-I196 VanDerWaalsContact O-CD1 3.31Å; T192-I196 WeakPolarHBondContact O-CD1 3.33Å; T192-I196 VanDerWaalsContact O-CG1 3.29Å; T192-I196 WeakPolarHBondContact O-CG1 3.44Å; T192-I196 PolarHBondContact O-N 3.37Å; V193-I196 PolarHBondContact O-N 2.87Å; F194-I196 PolarHBondContact O-N 3.38Å; I196-V198 PolarHBondContact O-N 3.03Å; I196-S199 CarbonylContact O-C 3.49Å; I196-S199 WeakPolarHBondContact O-CA 3.43Å; I196-S199 WeakPolarHBondContact O-CB 3.47Å; I196-S199 PolarHBondContact O-N 3.4Å; I196-S199 VanDerWaalsContact O-N 3.08Å; I196-G200 PolarHBondContact O-N 3.12Å
197	A	93.2	Very high	93.4	Very high	52 Å²	52	42.1 Å²	42.1	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-46.4	177.8	0	0	0	0	0	111.6	V193 F194 S199 G200 I201	V193-A197 WeakPolarHBondContact O-CB 3.15Å; V193-A197 PolarHBondContact O-N 3.34Å; F194-A197 PolarHBondContact O-N 3.49Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 3.48Å; A197-G200 PolarHBondContact O-N 3.47Å; A197-I201 WeakPolarHBondContact O-CG1 3.08Å; A197-I201 PolarHBondContact O-N 3.47Å
198	V	93	Very high	93.5	Very high	13 Å²	13	42.9 Å²	42.9	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-38.2	174.3	173.3	0	0	0	0	111	V27 F31 R32 F194 I196 I201 C202	V27-V198 HydrophobicContact CG1-CG1 4Å; F31-V198 HydrophobicContact CB-CG1 4.11Å; F31-V198 HydrophobicContact CB-CG2 3.95Å; F31-V198 HydrophobicContact CG-CG2 4.48Å; R32-V198 HydrophobicContact CG-CG1 3.79Å; F194-V198 VanDerWaalsContact O-CG2 3.3Å; F194-V198 WeakPolarHBondContact O-CG2 3.39Å; F194-V198 PolarHBondContact O-N 3.02Å; I196-V198 PolarHBondContact O-N 3.03Å; V198-I201 PolarHBondContact O-N 2.86Å; V198-C202 WeakPolarHBondContact O-CB 3.12Å; V198-C202 PolarHBondContact O-N 3.43Å; V198-C202 PolarHBondContact O-SG 3.27Å; V198-C202 VanDerWaalsContact O-SG 3.39Å
199	S	93.6	Very high	93.3	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.028	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-41	175.7	-55.4	0	0	0	0	112.9	R32 Q80 M195 I196 A197 C202 I203	R32-S199 VanDerWaalsContact NH2-CB 3.28Å; R32-S199 PolarHBondContact NH2-OG 2.85Å; Q80-S199 PolarHBondContact NE2-OG 3.15Å; M195-S199 WeakPolarHBondContact O-CB 3.29Å; M195-S199 PolarHBondContact O-N 3.39Å; M195-S199 PolarHBondContact O-OG 3.36Å; I196-S199 CarbonylContact O-C 3.49Å; I196-S199 WeakPolarHBondContact O-CA 3.43Å; I196-S199 WeakPolarHBondContact O-CB 3.47Å; I196-S199 PolarHBondContact O-N 3.4Å; I196-S199 VanDerWaalsContact O-N 3.08Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 3.48Å; S199-C202 WeakPolarHBondContact O-CB 3.3Å; S199-C202 PolarHBondContact O-N 2.96Å; S199-I203 WeakPolarHBondContact O-CG1 3.46Å; S199-I203 PolarHBondContact O-N 2.91Å
200	G	94.4	Very high	93.3	Very high	25 Å²	25	42.7 Å²	42.7	26%	0.258	24%	0.242	S	C	.	.	H	α-helix	trans	-59.4	-45.9	172.3	0	0	0	0	0	112.2	I196 A197 C202 I203 L204	I196-G200 PolarHBondContact O-N 3.12Å; A197-G200 PolarHBondContact O-N 3.47Å; G200-C202 VanDerWaalsContact C-N 3.35Å; G200-C202 PolarHBondContact O-N 3.19Å; G200-I203 PolarHBondContact O-N 2.97Å; G200-L204 WeakPolarHBondContact O-CG 3.24Å; G200-L204 PolarHBondContact O-N 3.21Å
201	I	94	Very high	93.3	Very high	88 Å²	88	41.9 Å²	41.9	45%	0.451	24%	0.239	S	C	.	.	H	α-helix	trans	-60.1	-45.1	175	-65.8	166.6	0	0	0	110.7	A197 V198 I203 L204 L205	A197-I201 WeakPolarHBondContact O-CG1 3.08Å; A197-I201 PolarHBondContact O-N 3.47Å; V198-I201 PolarHBondContact O-N 2.86Å; I201-I203 VanDerWaalsContact C-N 3.34Å; I201-I203 PolarHBondContact O-N 3.44Å; I201-L204 PolarHBondContact O-N 3.42Å; I201-L205 HydrophobicContact CG2-CD1 4.11Å; I201-L205 HydrophobicContact CG2-CG 4.36Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.17Å
202	C	94.2	Very high	93.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-42	176.3	-79	0	0	0	0	112.6	E147 V198 S199 G200 N206	E147-C202 WeakPolarHBondContact OE1-CB 3.28Å; V198-C202 WeakPolarHBondContact O-CB 3.12Å; V198-C202 PolarHBondContact O-N 3.43Å; V198-C202 PolarHBondContact O-SG 3.27Å; V198-C202 VanDerWaalsContact O-SG 3.39Å; S199-C202 WeakPolarHBondContact O-CB 3.3Å; S199-C202 PolarHBondContact O-N 2.96Å; G200-C202 VanDerWaalsContact C-N 3.35Å; G200-C202 PolarHBondContact O-N 3.19Å; C202-N206 WeakPolarHBondContact O-CB 3.28Å; C202-N206 PolarHBondContact O-N 3.4Å; C202-N206 PolarHBondContact O-ND2 3.28Å
203	I	95.2	Very high	92.9	Very high	30 Å²	30	45.5 Å²	45.5	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-49.9	175	-70.2	168.3	0	0	0	110	E147 M151 S199 G200 I201 L205 N206 V207	E147-I203 HydrophobicContact CB-CD1 3.96Å; E147-I203 HydrophobicContact CB-CG1 3.53Å; E147-I203 HydrophobicContact CG-CG1 4.24Å; M151-I203 HydrophobicContact CE-CD1 3.95Å; M151-I203 HydrophobicContact SD-CD1 4.23Å; S199-I203 WeakPolarHBondContact O-CG1 3.46Å; S199-I203 PolarHBondContact O-N 2.91Å; G200-I203 PolarHBondContact O-N 2.97Å; I201-I203 VanDerWaalsContact C-N 3.34Å; I201-I203 PolarHBondContact O-N 3.44Å; I203-L205 VanDerWaalsContact C-N 3.34Å; I203-L205 PolarHBondContact O-N 3.15Å; I203-N206 PolarHBondContact O-N 3.16Å; I203-V207 HydrophobicContact CG2-CG2 4.12Å; I203-V207 WeakPolarHBondContact O-CB 3.33Å; I203-V207 VanDerWaalsContact O-CG2 3.3Å; I203-V207 WeakPolarHBondContact O-CG2 3.46Å; I203-V207 PolarHBondContact O-N 2.94Å
204	L	94.9	Very high	92.7	Very high	116 Å²	116	45.5 Å²	45.5	61%	0.607	25%	0.249	S	C	*	.	H	α-helix	trans	-59.4	-42.6	-179.7	-69.5	174.8	0	0	0	112.4	G200 I201 T208	G200-L204 WeakPolarHBondContact O-CG 3.24Å; G200-L204 PolarHBondContact O-N 3.21Å; I201-L204 PolarHBondContact O-N 3.42Å; L204-T208 VanDerWaalsContact O-CB 3.3Å; L204-T208 WeakPolarHBondContact O-CB 3.08Å; L204-T208 PolarHBondContact O-N 3.14Å; L204-T208 PolarHBondContact O-OG1 3.01Å
205	L	93.9	Very high	92.6	Very high	37 Å²	37	44.8 Å²	44.8	19%	0.194	25%	0.25	C	C	.	.	H	α-helix	trans	-62.3	-46.8	176.2	-70.6	176.2	0	0	0	111.7	I23 W24 V27 I201 I203 T208 E209	I23-L205 HydrophobicContact CG2-CD1 4.16Å; W24-L205 HydrophobicContact CB-CD1 4.31Å; V27-L205 HydrophobicContact CG2-CD1 4.46Å; I201-L205 HydrophobicContact CG2-CD1 4.11Å; I201-L205 HydrophobicContact CG2-CG 4.36Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.17Å; I203-L205 VanDerWaalsContact C-N 3.34Å; I203-L205 PolarHBondContact O-N 3.15Å; L205-T208 PolarHBondContact O-N 3.22Å; L205-E209 WeakPolarHBondContact O-CB 3.26Å; L205-E209 PolarHBondContact O-N 3.49Å
206	N	93.6	Very high	92.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66	-40.9	179	-75.5	-49.7	0	0	0	112.4	W24 I140 R143 V144 C202 I203 E209 L210	W24-N206 PolarHBondContact NE1-ND2 2.94Å; W24-N206 VanDerWaalsContact NE1-ND2 3.18Å; I140-N206 HydrophobicContact CG2-CB 4.14Å; I140-N206 VanDerWaalsContact CG2-O 3.24Å; I140-N206 WeakPolarHBondContact CG2-O 3.26Å; R143-N206 PolarHBondContact NE-OD1 2.98Å; R143-N206 PolarHBondContact NH2-OD1 2.92Å; V144-N206 HydrophobicContact CG2-CB 3.45Å; V144-N206 VanDerWaalsContact CG2-CB 3.45Å; C202-N206 WeakPolarHBondContact O-CB 3.28Å; C202-N206 PolarHBondContact O-N 3.4Å; C202-N206 PolarHBondContact O-ND2 3.28Å; I203-N206 PolarHBondContact O-N 3.16Å; N206-E209 PolarHBondContact O-N 2.76Å; N206-L210 WeakPolarHBondContact O-CB 2.9Å; N206-L210 PolarHBondContact O-N 2.54Å
207	V	95.1	Very high	91.8	Very high	57 Å²	57	50.3 Å²	50.3	35%	0.345	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-45	176.2	170.6	0	0	0	0	110.4	V144 I203 E209 L210 C211	V144-V207 HydrophobicContact CG1-CG2 4.12Å; V144-V207 HydrophobicContact CG2-CG2 4.1Å; I203-V207 HydrophobicContact CG2-CG2 4.12Å; I203-V207 WeakPolarHBondContact O-CB 3.33Å; I203-V207 VanDerWaalsContact O-CG2 3.3Å; I203-V207 WeakPolarHBondContact O-CG2 3.46Å; I203-V207 PolarHBondContact O-N 2.94Å; V207-E209 VanDerWaalsContact C-N 3.3Å; V207-E209 PolarHBondContact O-N 2.97Å; V207-L210 PolarHBondContact O-N 2.83Å; V207-C211 WeakPolarHBondContact O-CB 2.92Å; V207-C211 PolarHBondContact O-N 2.83Å; V207-C211 PolarHBondContact O-SG 2.79Å
208	T	93.9	Very high	91.4	Very high	81 Å²	81	53 Å²	53	50%	0.497	28%	0.284	S	S	.	.	H	α-helix	trans	-59.2	-42.9	176.4	-58.7	0	0	0	0	111.2	L204 L205 Y212	L204-T208 VanDerWaalsContact O-CB 3.3Å; L204-T208 WeakPolarHBondContact O-CB 3.08Å; L204-T208 PolarHBondContact O-N 3.14Å; L204-T208 PolarHBondContact O-OG1 3.01Å; L205-T208 PolarHBondContact O-N 3.22Å; T208-Y212 WeakPolarHBondContact O-CB 3.44Å; T208-Y212 PolarHBondContact O-N 2.78Å
209	E	91.4	Very high	90.9	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65.7	-43.1	176.9	-164.5	171.7	178	0	0	112.3	T18 I20 G21 Y136 I140 L205 N206 V207 Y212 L213	T18-E209 WeakPolarHBondContact CB-OE1 3.07Å; T18-E209 WeakPolarHBondContact CG2-OE1 3.43Å; T18-E209 VanDerWaalsContact OG1-CD 3.3Å; T18-E209 PolarHBondContact OG1-OE1 3.04Å; I20-E209 HydrophobicContact CB-CB 4.41Å; I20-E209 HydrophobicContact CB-CG 4.28Å; I20-E209 HydrophobicContact CD1-CB 4.47Å; I20-E209 HydrophobicContact CG2-CB 3.96Å; I20-E209 HydrophobicContact CG2-CG 4.34Å; G21-E209 PolarHBondContact N-OE2 2.05Å; Y136-E209 VanDerWaalsContact CE1-OE1 3.25Å; Y136-E209 WeakPolarHBondContact CE1-OE1 3.02Å; Y136-E209 VanDerWaalsContact CZ-OE1 3.26Å; Y136-E209 PolarHBondContact OH-OE1 3.37Å; I140-E209 HydrophobicContact CD1-CB 4.27Å; I140-E209 HydrophobicContact CD1-CG 3.72Å; L205-E209 WeakPolarHBondContact O-CB 3.26Å; L205-E209 PolarHBondContact O-N 3.49Å; N206-E209 PolarHBondContact O-N 2.76Å; V207-E209 VanDerWaalsContact C-N 3.3Å; V207-E209 PolarHBondContact O-N 2.97Å; E209-Y212 PolarHBondContact O-N 3.44Å; E209-L213 WeakPolarHBondContact O-CG 3.08Å; E209-L213 PolarHBondContact O-N 3.49Å
210	L	92.5	Very high	89.8	Confident	31 Å²	31	58.4 Å²	58.4	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-47	176.3	-171.4	61.7	0	0	0	111.2	T137 I140 N206 V207 Y212 L213 L214	T137-L210 HydrophobicContact CG2-CD1 3.78Å; I140-L210 HydrophobicContact CG2-CB 3.86Å; I140-L210 HydrophobicContact CG2-CD1 4.31Å; N206-L210 WeakPolarHBondContact O-CB 2.9Å; N206-L210 PolarHBondContact O-N 2.54Å; V207-L210 PolarHBondContact O-N 2.83Å; L210-Y212 VanDerWaalsContact C-N 3.35Å; L210-Y212 PolarHBondContact O-N 2.9Å; L210-L213 PolarHBondContact O-N 3.17Å; L210-L214 HydrophobicContact CG-CD1 4.14Å; L210-L214 WeakPolarHBondContact O-CB 3.41Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.05Å; L210-L214 PolarHBondContact O-N 3.43Å
211	C	92.6	Very high	88.2	Confident	60 Å²	60	64.2 Å²	64.2	41%	0.405	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-44.7	175.4	-72.1	0	0	0	0	111.4	V207 L213 L214 I215	V207-C211 WeakPolarHBondContact O-CB 2.92Å; V207-C211 PolarHBondContact O-N 2.83Å; V207-C211 PolarHBondContact O-SG 2.79Å; C211-L213 VanDerWaalsContact C-N 3.35Å; C211-L213 PolarHBondContact O-N 3.49Å; C211-L214 PolarHBondContact O-N 3.42Å; C211-I215 WeakPolarHBondContact O-CB 3.34Å; C211-I215 WeakPolarHBondContact O-CD1 3.32Å; C211-I215 WeakPolarHBondContact O-CG1 3.41Å; C211-I215 PolarHBondContact O-N 2.89Å
212	Y	89.5	Confident	86.4	Confident	120 Å²	120	62.2 Å²	62.2	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-45.1	177.1	177.3	-98.1	0	0	0	112.1	T208 E209 L210 R216	T208-Y212 WeakPolarHBondContact O-CB 3.44Å; T208-Y212 PolarHBondContact O-N 2.78Å; E209-Y212 PolarHBondContact O-N 3.44Å; L210-Y212 VanDerWaalsContact C-N 3.35Å; L210-Y212 PolarHBondContact O-N 2.9Å; Y212-R216 VanDerWaalsContact O-CB 3.31Å; Y212-R216 WeakPolarHBondContact O-CB 3.38Å; Y212-R216 PolarHBondContact O-N 2.83Å
213	L	87.4	Confident	84.3	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-66.1	-42	178.1	-68.9	172.8	0	0	0	112.3	W133 Y136 I140 E209 L210 C211 R216 Y217	W133-L213 HydrophobicContact CZ2-CB 4.29Å; Y136-L213 HydrophobicContact CD1-CD1 3.68Å; Y136-L213 HydrophobicContact CE1-CD1 3.86Å; I140-L213 HydrophobicContact CD1-CD1 3.63Å; E209-L213 WeakPolarHBondContact O-CG 3.08Å; E209-L213 PolarHBondContact O-N 3.49Å; L210-L213 PolarHBondContact O-N 3.17Å; C211-L213 VanDerWaalsContact C-N 3.35Å; C211-L213 PolarHBondContact O-N 3.49Å; L213-R216 PolarHBondContact O-N 3.48Å; L213-Y217 WeakPolarHBondContact O-CB 3.09Å; L213-Y217 PolarHBondContact O-N 3.09Å
214	L	88.5	Confident	82.2	Confident	81 Å²	81	77.4 Å²	77.4	42%	0.424	41%	0.409	S	S	.	.	H	α-helix	trans	-65.1	-47.2	177.6	-71.2	173	0	0	0	111.8	L210 C211 R216 Y217 C218	L210-L214 HydrophobicContact CG-CD1 4.14Å; L210-L214 WeakPolarHBondContact O-CB 3.41Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.05Å; L210-L214 PolarHBondContact O-N 3.43Å; C211-L214 PolarHBondContact O-N 3.42Å; L214-R216 VanDerWaalsContact C-N 3.27Å; L214-R216 PolarHBondContact O-N 2.82Å; L214-Y217 WeakPolarHBondContact O-CB 3.31Å; L214-Y217 PolarHBondContact O-N 3.28Å; L214-Y217 VanDerWaalsContact O-N 3.14Å; L214-C218 PolarHBondContact O-N 3.36Å; L214-C218 PolarHBondContact O-SG 2.87Å; L214-C218 VanDerWaalsContact O-SG 3.36Å
215	I	89.2	Confident	80.1	Confident	109 Å²	109	75.9 Å²	75.9	56%	0.559	41%	0.406	S	S	*	.	H	α-helix	trans	-58.1	-43.4	176.9	-69.4	164.3	0	0	0	110.3	C211 C218 S219	C211-I215 WeakPolarHBondContact O-CB 3.34Å; C211-I215 WeakPolarHBondContact O-CD1 3.32Å; C211-I215 WeakPolarHBondContact O-CG1 3.41Å; C211-I215 PolarHBondContact O-N 2.89Å; I215-C218 PolarHBondContact O-N 3.16Å; I215-S219 VanDerWaalsContact O-CB 3.24Å; I215-S219 WeakPolarHBondContact O-CB 3.26Å; I215-S219 PolarHBondContact O-N 3.35Å; I215-S219 PolarHBondContact O-OG 3.19Å
216	R	84.2	Confident	78	Confident	27 Å²	27	77.4 Å²	77.4	10%	0.102	42%	0.417	C	S	.	.	H	α-helix	trans	-67.7	-35.4	179.3	-175.3	178.4	147.9	170.9	-15.5	112.7	Y212 L213 L214 K221 S222 K224	Y212-R216 VanDerWaalsContact O-CB 3.31Å; Y212-R216 WeakPolarHBondContact O-CB 3.38Å; Y212-R216 PolarHBondContact O-N 2.83Å; L213-R216 PolarHBondContact O-N 3.48Å; L214-R216 VanDerWaalsContact C-N 3.27Å; L214-R216 PolarHBondContact O-N 2.82Å; R216-K221 HydrophobicContact CG-CB 4.18Å; R216-K221 PolarHBondContact NE-O 3.16Å; R216-K221 PolarHBondContact O-N 2.85Å; R216-S222 PolarHBondContact NH2-O 2.9Å; R216-K224 PolarHBondContact NH1-O 2.85Å; R216-K224 PolarHBondContact NH2-O 3.08Å
217	Y	83.1	Confident	77.3	Confident	122 Å²	122	81.3 Å²	81.3	48%	0.478	44%	0.438	S	S	.	.	H	α-helix	trans	-65.5	-50	174	-171.4	-94.5	0	0	0	111	W133 L213 L214 S219 G220	W133-Y217 HydrophobicContact CE3-CD2 4.49Å; W133-Y217 AromaticContact CH2-CD2 3.67Å; W133-Y217 HydrophobicContact CH2-CD2 3.67Å; W133-Y217 HydrophobicContact CH2-CE2 4.27Å; W133-Y217 AromaticContact CH2-CG 3.89Å; W133-Y217 HydrophobicContact CH2-CG 3.89Å; W133-Y217 AromaticContact CZ2-CD2 3.8Å; W133-Y217 HydrophobicContact CZ2-CD2 3.8Å; W133-Y217 HydrophobicContact CZ2-CG 4.02Å; W133-Y217 HydrophobicContact CZ3-CD2 4.04Å; W133-Y217 HydrophobicContact CZ3-CE2 4.21Å; L213-Y217 WeakPolarHBondContact O-CB 3.09Å; L213-Y217 PolarHBondContact O-N 3.09Å; L214-Y217 WeakPolarHBondContact O-CB 3.31Å; L214-Y217 PolarHBondContact O-N 3.28Å; L214-Y217 VanDerWaalsContact O-N 3.14Å; Y217-S219 PolarHBondContact O-N 2.02Å; Y217-G220 PolarHBondContact O-N 3.3Å
218	C	85.4	Confident	76.3	Confident	108 Å²	108	82.6 Å²	82.6	73%	0.73	44%	0.443	S	S	*	.	H	α-helix	trans	-63.8	-36.4	177.8	-65.8	0	0	0	0	113.1	L214 I215 G220	L214-C218 PolarHBondContact O-N 3.36Å; L214-C218 PolarHBondContact O-SG 2.87Å; L214-C218 VanDerWaalsContact O-SG 3.36Å; I215-C218 PolarHBondContact O-N 3.16Å; C218-G220 PolarHBondContact O-N 2.91Å
219	S	82.1	Confident	75.3	Confident	70 Å²	70	82.7 Å²	82.7	49%	0.49	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	2.9	179.9	-57.7	0	0	0	0	113.9	I215 Y217 K221	I215-S219 VanDerWaalsContact O-CB 3.24Å; I215-S219 WeakPolarHBondContact O-CB 3.26Å; I215-S219 PolarHBondContact O-N 3.35Å; I215-S219 PolarHBondContact O-OG 3.19Å; Y217-S219 PolarHBondContact O-N 2.02Å; S219-K221 PolarHBondContact O-N 3.37Å
220	G	70.3	Confident	74.4	Confident	61 Å²	61	87.5 Å²	87.5	63%	0.629	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	4.5	-176.7	0	0	0	0	0	114.7	Y217 C218 S222	Y217-G220 PolarHBondContact O-N 3.3Å; C218-G220 PolarHBondContact O-N 2.91Å; G220-S222 PolarHBondContact O-N 2.03Å
221	K	61.8	Low	73.3	Confident	147 Å²	147	91 Å²	91	64%	0.639	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-79.8	20	-178.8	-70.9	-178.2	-178.8	171.2	0	112.9	R216 S219 K223	R216-K221 HydrophobicContact CG-CB 4.18Å; R216-K221 PolarHBondContact NE-O 3.16Å; R216-K221 PolarHBondContact O-N 2.85Å; S219-K221 PolarHBondContact O-N 3.37Å; K221-K223 PolarHBondContact O-N 3.23Å
222	S	55.3	Low	72	Confident	46 Å²	46	93.1 Å²	93.1	32%	0.322	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-57.5	-22.6	-175.9	-164.3	0	0	0	0	113.5	R216 G220 K224	R216-S222 PolarHBondContact NH2-O 2.9Å; G220-S222 PolarHBondContact O-N 2.03Å; S222-K224 PolarHBondContact O-N 3.12Å
223	K	51	Low	70.7	Confident	192 Å²	192	91.1 Å²	91.1	84%	0.835	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-81.2	2	-172.5	-60.8	-171.7	179	-177.8	0	117.9	K221	K221-K223 PolarHBondContact O-N 3.23Å
224	K	50	Low	69.4	Low	158 Å²	158	98 Å²	98	69%	0.687	53%	0.528	S	S	*	.	S	Bend	trans	-103.7	134.7	179.8	-70.2	-169.9	177.2	-173.1	0	112.3	R216 S222 V226	R216-K224 PolarHBondContact NH1-O 2.85Å; R216-K224 PolarHBondContact NH2-O 3.08Å; S222-K224 PolarHBondContact O-N 3.12Å; K224-V226 PolarHBondContact O-N 3.19Å
225	P	51.2	Low	67.9	Low	84 Å²	84	99.4 Å²	99.4	55%	0.545	54%	0.536	S	S	.	.			trans	-58	140.2	-179.3	23.9	-33.1	0	0	0	112.8
226	V	50.8	Low	65.9	Low	69 Å²	69	98.5 Å²	98.5	42%	0.418	53%	0.534	S	S	.	.			trans	-82.9	0	166.1	-174.1	0	0	0	0	109.1	T18 I128 K224	T18-V226 HydrophobicContact CG2-CG1 3.63Å; I128-V226 HydrophobicContact CD1-CB 4.49Å; K224-V226 PolarHBondContact O-N 3.19Å

Retrieved 226 of 226 residues in 48.3 ms (Link to these results)

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