F6RQF6_MACMU Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB , UniProt , Accession F6RQF6, Species MACMU (Macaca mulatta, Rhesus macaque), Gene CLDN3, Length 220 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.7	Low	85.5	Confident	52 Å²	52	55.2 Å²	55.2	26%	0.256	34%	0.338	S	S	.	.				0	133.7	0	-71.4	170.5	-76.5	0	0	108.1	K113 A114	M1-K113 HydrophobicContact CE-CB 4.21Å; M1-A114 HydrophobicContact CE-CB 3.65Å; M1-A114 WeakPolarHBondContact SD-CA 3.38Å; M1-A114 HydrophobicContact SD-CB 3.55Å; M1-A114 VanDerWaalsContact SD-CB 3.55Å
2	S	76.3	Confident	86.4	Confident	81 Å²	81	54 Å²	54	57%	0.566	33%	0.328	S	S	*	.			trans	-86.4	116.1	176.8	-180	0	0	0	0	108.8	G4 L5 E6	S2-G4 PolarHBondContact O-N 2.83Å; S2-G4 VanDerWaalsContact O-N 3.16Å; S2-L5 PolarHBondContact O-N 3.05Å; S2-E6 PolarHBondContact O-N 3.35Å
3	M	80.4	Confident	87	Confident	97 Å²	97	49.8 Å²	49.8	48%	0.478	30%	0.303	S	S	.	.	H	α-helix	trans	-53.7	-36	-178.9	-177	-179.6	-73.6	0	0	112.3	L5 E6 I7 Q102	M3-L5 VanDerWaalsContact C-N 3.35Å; M3-L5 PolarHBondContact O-N 3.17Å; M3-E6 PolarHBondContact O-N 3.31Å; M3-I7 HydrophobicContact CG-CD1 3.68Å; M3-I7 HydrophobicContact CG-CG1 4.37Å; M3-I7 VanDerWaalsContact O-CG1 3.26Å; M3-I7 WeakPolarHBondContact O-CG1 3.4Å; M3-I7 PolarHBondContact O-N 3.36Å; M3-I7 HydrophobicContact SD-CD1 4.42Å; M3-Q102 HydrophobicContact CE-CB 4.47Å; M3-Q102 VanDerWaalsContact CE-OE1 3.24Å
4	G	84.2	Confident	87.7	Confident	42 Å²	42	50 Å²	50	43%	0.433	30%	0.304	S	S	.	.	H	α-helix	trans	-64.8	-35.1	177.4	0	0	0	0	0	113.8	S2 T8	S2-G4 PolarHBondContact O-N 2.83Å; S2-G4 VanDerWaalsContact O-N 3.16Å; G4-T8 VanDerWaalsContact O-CB 3.31Å; G4-T8 WeakPolarHBondContact O-CB 2.75Å; G4-T8 PolarHBondContact O-N 2.94Å; G4-T8 PolarHBondContact O-OG1 3.2Å
5	L	86.8	Confident	88.3	Confident	60 Å²	60	53.4 Å²	53.4	31%	0.314	32%	0.319	S	S	.	.	H	α-helix	trans	-73.6	-39.4	179.9	-149	78.2	0	0	0	111.1	S2 M3 G9 L179	S2-L5 PolarHBondContact O-N 3.05Å; M3-L5 VanDerWaalsContact C-N 3.35Å; M3-L5 PolarHBondContact O-N 3.17Å; L5-G9 PolarHBondContact O-N 3.32Å; L5-L179 HydrophobicContact CD1-CD2 3.89Å; L5-L179 HydrophobicContact CG-CB 4.4Å; L5-L179 HydrophobicContact CG-CD2 4.15Å
6	E	88.3	Confident	88.9	Confident	13 Å²	13	50.1 Å²	50.1	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-45.8	176.3	-71.1	-178.2	156.5	0	0	111.8	S2 M3 G9 T10 Q102	S2-E6 PolarHBondContact O-N 3.35Å; M3-E6 PolarHBondContact O-N 3.31Å; E6-G9 PolarHBondContact O-N 3.26Å; E6-T10 WeakPolarHBondContact O-CB 3.33Å; E6-T10 WeakPolarHBondContact O-CG2 3.46Å; E6-T10 PolarHBondContact O-N 3.03Å; E6-T10 PolarHBondContact O-OG1 3.24Å; E6-Q102 WeakPolarHBondContact OE2-CG 3.47Å; E6-Q102 PolarHBondContact OE2-NE2 3.27Å
7	I	90.3	Very high	89.4	Confident	95 Å²	95	50.4 Å²	50.4	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-45.4	178	-66.8	168.9	0	0	0	110.5	M3 T10 A11	M3-I7 HydrophobicContact CG-CD1 3.68Å; M3-I7 HydrophobicContact CG-CG1 4.37Å; M3-I7 VanDerWaalsContact O-CG1 3.26Å; M3-I7 WeakPolarHBondContact O-CG1 3.4Å; M3-I7 PolarHBondContact O-N 3.36Å; M3-I7 HydrophobicContact SD-CD1 4.42Å; I7-T10 WeakPolarHBondContact CA-OG1 3.45Å; I7-T10 PolarHBondContact O-OG1 2.96Å; I7-A11 VanDerWaalsContact O-CB 3.24Å; I7-A11 WeakPolarHBondContact O-CB 3.38Å; I7-A11 PolarHBondContact O-N 2.83Å
8	T	92.4	Very high	89.8	Confident	75 Å²	75	52.3 Å²	52.3	46%	0.46	30%	0.302	S	S	.	.	H	α-helix	trans	-66.6	-42.9	179.1	-52.2	0	0	0	0	111.2	G4 A11 L12 L179	G4-T8 VanDerWaalsContact O-CB 3.31Å; G4-T8 WeakPolarHBondContact O-CB 2.75Å; G4-T8 PolarHBondContact O-N 2.94Å; G4-T8 PolarHBondContact O-OG1 3.2Å; T8-A11 PolarHBondContact O-N 2.95Å; T8-L12 HydrophobicContact CG2-CD1 4.07Å; T8-L12 WeakPolarHBondContact O-CB 3.46Å; T8-L12 VanDerWaalsContact O-CG 3.31Å; T8-L12 WeakPolarHBondContact O-CG 3.43Å; T8-L12 PolarHBondContact O-N 2.99Å; T8-L179 HydrophobicContact CG2-CD1 4.39Å
9	G	93	Very high	90.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-45.6	178.5	0	0	0	0	0	112.7	L5 E6 A13 G176	L5-G9 PolarHBondContact O-N 3.32Å; E6-G9 PolarHBondContact O-N 3.26Å; G9-A13 WeakPolarHBondContact O-CB 3.47Å; G9-A13 PolarHBondContact O-N 3.28Å; G9-G176 VanDerWaalsContact O-CA 3.25Å; G9-G176 WeakPolarHBondContact O-CA 3.47Å
10	T	92.4	Very high	90.4	Very high	44 Å²	44	48 Å²	48	27%	0.27	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-43.5	174.7	50.1	0	0	0	0	112	E6 I7 L12 A13 V14 A97 L180	E6-T10 WeakPolarHBondContact O-CB 3.33Å; E6-T10 WeakPolarHBondContact O-CG2 3.46Å; E6-T10 PolarHBondContact O-N 3.03Å; E6-T10 PolarHBondContact O-OG1 3.24Å; I7-T10 WeakPolarHBondContact CA-OG1 3.45Å; I7-T10 PolarHBondContact O-OG1 2.96Å; T10-L12 PolarHBondContact O-N 3.17Å; T10-A13 PolarHBondContact O-N 3.02Å; T10-V14 WeakPolarHBondContact O-CG2 3.35Å; T10-V14 PolarHBondContact O-N 3.33Å; T10-A97 HydrophobicContact CG2-CB 4.19Å; T10-L180 HydrophobicContact CG2-CD1 4.36Å; T10-L180 HydrophobicContact CG2-CD2 3.91Å
11	A	94.9	Very high	90.7	Very high	48 Å²	48	48.6 Å²	48.6	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-45	177.4	0	0	0	0	0	112.2	I7 T8 V14 L15	I7-A11 VanDerWaalsContact O-CB 3.24Å; I7-A11 WeakPolarHBondContact O-CB 3.38Å; I7-A11 PolarHBondContact O-N 2.83Å; T8-A11 PolarHBondContact O-N 2.95Å; A11-V14 PolarHBondContact O-N 3.19Å; A11-L15 WeakPolarHBondContact O-CG 3.38Å; A11-L15 PolarHBondContact O-N 2.73Å
12	L	95.9	Very high	92.3	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-42	175.7	-72.4	168	0	0	0	112	T8 T10 L15 G16 L172 L179	T8-L12 HydrophobicContact CG2-CD1 4.07Å; T8-L12 WeakPolarHBondContact O-CB 3.46Å; T8-L12 VanDerWaalsContact O-CG 3.31Å; T8-L12 WeakPolarHBondContact O-CG 3.43Å; T8-L12 PolarHBondContact O-N 2.99Å; T10-L12 PolarHBondContact O-N 3.17Å; L12-L15 PolarHBondContact O-N 2.87Å; L12-G16 PolarHBondContact O-N 2.99Å; L12-L172 HydrophobicContact CD2-CD2 3.67Å; L12-L179 HydrophobicContact CD1-CD1 3.73Å
13	A	95.1	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-39.5	177.6	0	0	0	0	0	112.4	G9 T10 W17 F124	G9-A13 WeakPolarHBondContact O-CB 3.47Å; G9-A13 PolarHBondContact O-N 3.28Å; T10-A13 PolarHBondContact O-N 3.02Å; A13-W17 WeakPolarHBondContact O-CB 3.31Å; A13-W17 PolarHBondContact O-N 3.36Å; A13-F124 HydrophobicContact CB-CD1 3.88Å; A13-F124 HydrophobicContact CB-CD2 3.86Å; A13-F124 HydrophobicContact CB-CE1 3.83Å; A13-F124 HydrophobicContact CB-CE2 3.81Å; A13-F124 HydrophobicContact CB-CG 3.89Å; A13-F124 HydrophobicContact CB-CZ 3.78Å
14	V	96.1	Very high	93.8	Very high	52 Å²	52	41.6 Å²	41.6	32%	0.315	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-47.4	174.9	173.6	0	0	0	0	110.8	T10 A11 G16 W17 L18 L94	T10-V14 WeakPolarHBondContact O-CG2 3.35Å; T10-V14 PolarHBondContact O-N 3.33Å; A11-V14 PolarHBondContact O-N 3.19Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.46Å; V14-W17 PolarHBondContact O-N 3.08Å; V14-L18 HydrophobicContact CG1-CD1 4.28Å; V14-L18 WeakPolarHBondContact O-CG 3.21Å; V14-L18 PolarHBondContact O-N 3.19Å; V14-L94 HydrophobicContact CG2-CD1 3.62Å
15	L	97.2	Very high	94.1	Very high	101 Å²	101	42.5 Å²	42.5	53%	0.529	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-43.2	177.8	-74.1	173.4	0	0	0	111.6	A11 L12 L18 G19 L172	A11-L15 WeakPolarHBondContact O-CG 3.38Å; A11-L15 PolarHBondContact O-N 2.73Å; L12-L15 PolarHBondContact O-N 2.87Å; L15-L18 PolarHBondContact O-N 3.31Å; L15-G19 PolarHBondContact O-N 2.86Å; L15-L172 HydrophobicContact CB-CD1 4.39Å
16	G	96.8	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-40.5	174.3	0	0	0	0	0	112	L12 V14 L18 G19 T20 A169	L12-G16 PolarHBondContact O-N 2.99Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.46Å; G16-L18 PolarHBondContact O-N 2.87Å; G16-G19 CarbonylContact O-C 3.39Å; G16-G19 WeakPolarHBondContact O-CA 3.39Å; G16-G19 PolarHBondContact O-N 3.1Å; G16-G19 VanDerWaalsContact O-N 3.16Å; G16-T20 WeakPolarHBondContact O-CG2 3.49Å; G16-T20 PolarHBondContact O-N 2.91Å; G16-A169 WeakPolarHBondContact CA-O 3.4Å; G16-A169 WeakPolarHBondContact O-CB 3.34Å
17	W	97.4	Very high	94.4	Very high	56 Å²	56	42.8 Å²	42.8	21%	0.212	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-42.1	174.9	178.4	62.7	0	0	0	113.4	A13 V14 G19 T20 I21 I87 A90 A91 L94 Q173	A13-W17 WeakPolarHBondContact O-CB 3.31Å; A13-W17 PolarHBondContact O-N 3.36Å; V14-W17 PolarHBondContact O-N 3.08Å; W17-G19 VanDerWaalsContact C-N 3.32Å; W17-G19 PolarHBondContact O-N 3.29Å; W17-T20 PolarHBondContact O-N 3.42Å; W17-T20 PolarHBondContact O-OG1 3.01Å; W17-I21 HydrophobicContact CD2-CD1 4Å; W17-I21 HydrophobicContact CE3-CD1 4.33Å; W17-I21 HydrophobicContact CH2-CD1 4.09Å; W17-I21 HydrophobicContact CZ2-CD1 3.73Å; W17-I21 HydrophobicContact CZ3-CD1 4.37Å; W17-I21 WeakPolarHBondContact O-CG1 3.48Å; W17-I21 PolarHBondContact O-N 3.45Å; W17-I21 VanDerWaalsContact O-N 3.13Å; W17-I87 PolarHBondContact NE1-O 2.99Å; W17-I87 VanDerWaalsContact NE1-O 3.15Å; W17-A90 HydrophobicContact CB-CB 4.48Å; W17-A90 VanDerWaalsContact CD1-CB 3.4Å; W17-A90 HydrophobicContact CG-CB 4.16Å; W17-A91 HydrophobicContact CZ2-CB 3.99Å; W17-L94 HydrophobicContact CE3-CD1 4.24Å; W17-Q173 VanDerWaalsContact CA-NE2 3.3Å
18	L	97.1	Very high	94.3	Very high	84 Å²	84	40.4 Å²	40.4	44%	0.44	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-40.5	172.7	-67.3	174.9	0	0	0	111.1	V14 L15 G16 T20 I21 V22	V14-L18 HydrophobicContact CG1-CD1 4.28Å; V14-L18 WeakPolarHBondContact O-CG 3.21Å; V14-L18 PolarHBondContact O-N 3.19Å; L15-L18 PolarHBondContact O-N 3.31Å; G16-L18 PolarHBondContact O-N 2.87Å; L18-T20 VanDerWaalsContact C-N 3.34Å; L18-T20 PolarHBondContact O-N 3.27Å; L18-I21 PolarHBondContact O-N 3Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.3Å
19	G	96.2	Very high	94.3	Very high	16 Å²	16	36.9 Å²	36.9	17%	0.165	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-38.8	174.6	0	0	0	0	0	113.4	L15 G16 W17 V22 C23	L15-G19 PolarHBondContact O-N 2.86Å; G16-G19 CarbonylContact O-C 3.39Å; G16-G19 WeakPolarHBondContact O-CA 3.39Å; G16-G19 PolarHBondContact O-N 3.1Å; G16-G19 VanDerWaalsContact O-N 3.16Å; W17-G19 VanDerWaalsContact C-N 3.32Å; W17-G19 PolarHBondContact O-N 3.29Å; G19-V22 PolarHBondContact O-N 3.45Å; G19-C23 WeakPolarHBondContact O-CB 3.43Å; G19-C23 PolarHBondContact O-N 3.21Å
20	T	95.9	Very high	94	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-70.1	-35.4	176.8	59.3	0	0	0	0	112	G16 W17 L18 C23 C24 T131 A169	G16-T20 WeakPolarHBondContact O-CG2 3.49Å; G16-T20 PolarHBondContact O-N 2.91Å; W17-T20 PolarHBondContact O-N 3.42Å; W17-T20 PolarHBondContact O-OG1 3.01Å; L18-T20 VanDerWaalsContact C-N 3.34Å; L18-T20 PolarHBondContact O-N 3.27Å; T20-C23 PolarHBondContact O-N 3.39Å; T20-C24 WeakPolarHBondContact O-CB 3.16Å; T20-C24 PolarHBondContact O-N 3.19Å; T20-T131 HydrophobicContact CG2-CG2 3.52Å; T20-A169 HydrophobicContact CG2-CB 3.7Å
21	I	96.2	Very high	93.8	Very high	61 Å²	61	36.2 Å²	36.2	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-62.5	-46.8	171.4	-66.8	166.7	0	0	0	110.6	W17 L18 C24 A25 I87	W17-I21 HydrophobicContact CD2-CD1 4Å; W17-I21 HydrophobicContact CE3-CD1 4.33Å; W17-I21 HydrophobicContact CH2-CD1 4.09Å; W17-I21 HydrophobicContact CZ2-CD1 3.73Å; W17-I21 HydrophobicContact CZ3-CD1 4.37Å; W17-I21 WeakPolarHBondContact O-CG1 3.48Å; W17-I21 PolarHBondContact O-N 3.45Å; W17-I21 VanDerWaalsContact O-N 3.13Å; L18-I21 PolarHBondContact O-N 3Å; I21-C24 WeakPolarHBondContact O-CB 3.46Å; I21-C24 PolarHBondContact O-N 3.17Å; I21-A25 WeakPolarHBondContact O-CB 3.36Å; I21-A25 PolarHBondContact O-N 3.4Å; I21-I87 HydrophobicContact CG1-CD1 4.22Å; I21-I87 HydrophobicContact CG1-CG1 4.29Å; I21-I87 HydrophobicContact CG1-CG2 4Å
22	V	95.7	Very high	93.2	Very high	70 Å²	70	34.3 Å²	34.3	42%	0.424	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-45.5	177.5	172.2	0	0	0	0	110.9	L18 G19 C24 A25 L26 V165	L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.3Å; G19-V22 PolarHBondContact O-N 3.45Å; V22-C24 VanDerWaalsContact C-N 3.27Å; V22-C24 PolarHBondContact O-N 2.94Å; V22-A25 PolarHBondContact O-N 3.48Å; V22-L26 HydrophobicContact CG1-CD1 3.58Å; V22-L26 HydrophobicContact CG1-CG 3.98Å; V22-L26 WeakPolarHBondContact O-CB 3.39Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.94Å; V22-V165 HydrophobicContact CG1-CG1 4.37Å
23	C	94.3	Very high	92.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-55.8	-42.2	174.3	178.4	0	0	0	0	111.8	G19 T20 W29 S162 V165	G19-C23 WeakPolarHBondContact O-CB 3.43Å; G19-C23 PolarHBondContact O-N 3.21Å; T20-C23 PolarHBondContact O-N 3.39Å; C23-W29 PolarHBondContact O-NE1 3.13Å; C23-W29 VanDerWaalsContact SG-CZ2 3.6Å; C23-S162 PolarHBondContact SG-O 3.15Å; C23-V165 HydrophobicContact CB-CG1 4.3Å
24	C	93.3	Very high	91.4	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-41.7	177.6	-171	0	0	0	0	112.8	T20 I21 V22 W50 I83 I87	T20-C24 WeakPolarHBondContact O-CB 3.16Å; T20-C24 PolarHBondContact O-N 3.19Å; I21-C24 WeakPolarHBondContact O-CB 3.46Å; I21-C24 PolarHBondContact O-N 3.17Å; V22-C24 VanDerWaalsContact C-N 3.27Å; V22-C24 PolarHBondContact O-N 2.94Å; C24-W50 PolarHBondContact O-NE1 2.93Å; C24-W50 PolarHBondContact SG-NE1 3.15Å; C24-I83 HydrophobicContact CB-CG2 3.65Å; C24-I87 HydrophobicContact CB-CD1 3.85Å
25	A	91.4	Very high	89.8	Confident	61 Å²	61	39.7 Å²	39.7	50%	0.504	22%	0.222	S	C	.	.	H	α-helix	trans	-77.9	-32.5	-175.2	0	0	0	0	0	113.6	I21 V22	I21-A25 WeakPolarHBondContact O-CB 3.36Å; I21-A25 PolarHBondContact O-N 3.4Å; V22-A25 PolarHBondContact O-N 3.48Å
26	L	90.8	Very high	88	Confident	52 Å²	52	36.5 Å²	36.5	27%	0.272	21%	0.213	S	C	.	.			trans	-69.3	132.8	-175.7	-75	176.6	0	0	0	112.1	V22 M28	V22-L26 HydrophobicContact CG1-CD1 3.58Å; V22-L26 HydrophobicContact CG1-CG 3.98Å; V22-L26 WeakPolarHBondContact O-CB 3.39Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.94Å; L26-M28 HydrophobicContact CB-CE 4.38Å; L26-M28 HydrophobicContact CD1-CE 3.89Å; L26-M28 HydrophobicContact CD2-CE 3.91Å; L26-M28 HydrophobicContact CG-CE 4.28Å; L26-M28 PolarHBondContact O-N 3.22Å
27	P	89.4	Confident	86.1	Confident	27 Å²	27	42.4 Å²	42.4	18%	0.175	25%	0.254	C	S	.	.	S	Bend	trans	-83	30.9	-178.8	35.7	-37.3	0	0	0	113.7	W46 E47 G48 M51	P27-W46 CarbonylContact O-C 3.54Å; P27-W46 WeakPolarHBondContact O-CB 3.24Å; P27-E47 CarbonylContact O-C 3.05Å; P27-G48 VanDerWaalsContact C-CA 3.46Å; P27-G48 PolarHBondContact O-N 3.31Å; P27-M51 HydrophobicContact CB-CG 3.6Å; P27-M51 HydrophobicContact CB-SD 4.25Å; P27-M51 HydrophobicContact CG-CG 4.34Å; P27-M51 HydrophobicContact CG-SD 4.37Å
28	M	89.6	Confident	84.1	Confident	46 Å²	46	44.7 Å²	44.7	23%	0.227	27%	0.271	C	S	.	.			trans	-122.4	47.9	-167.8	-49.6	-167	-80.4	0	0	111	L26 W46 G160 T161 S162	L26-M28 HydrophobicContact CB-CE 4.38Å; L26-M28 HydrophobicContact CD1-CE 3.89Å; L26-M28 HydrophobicContact CD2-CE 3.91Å; L26-M28 HydrophobicContact CG-CE 4.28Å; L26-M28 PolarHBondContact O-N 3.22Å; M28-W46 HydrophobicContact CB-CE3 3.95Å; M28-W46 HydrophobicContact CB-CZ3 4.28Å; M28-W46 HydrophobicContact CG-CE3 3.47Å; M28-W46 VanDerWaalsContact CG-CE3 3.47Å; M28-W46 HydrophobicContact CG-CZ3 3.78Å; M28-W46 HydrophobicContact SD-CE3 3.61Å; M28-W46 HydrophobicContact SD-CH2 4.25Å; M28-W46 HydrophobicContact SD-CZ3 3.22Å; M28-W46 WeakPolarHBondContact SD-CZ3 3.37Å; M28-G160 CarbonylContact O-C 3.59Å; M28-G160 WeakPolarHBondContact O-CA 3.26Å; M28-T161 WeakPolarHBondContact CB-OG1 3.33Å; M28-T161 WeakPolarHBondContact CE-OG1 3.37Å; M28-T161 PolarHBondContact O-N 3.17Å; M28-T161 VanDerWaalsContact O-N 3.15Å; M28-T161 PolarHBondContact SD-OG1 2.94Å; M28-S162 VanDerWaalsContact C-OG 3.24Å; M28-S162 WeakPolarHBondContact O-CB 3.44Å; M28-S162 PolarHBondContact O-N 2.99Å; M28-S162 PolarHBondContact O-OG 3.13Å
29	W	90.6	Very high	82.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-85.2	-42.1	179.6	-88.6	66.4	0	0	0	112.1	C23 E47 L49 A79 I83 V135 S138 G160 S162 L163	C23-W29 PolarHBondContact O-NE1 3.13Å; C23-W29 VanDerWaalsContact SG-CZ2 3.6Å; W29-E47 WeakPolarHBondContact CA-O 3.45Å; W29-E47 VanDerWaalsContact CB-O 3.29Å; W29-E47 WeakPolarHBondContact CB-O 3.41Å; W29-E47 PolarHBondContact N-O 3.35Å; W29-L49 HydrophobicContact CD2-CD1 3.85Å; W29-L49 HydrophobicContact CE3-CD1 3.99Å; W29-L49 HydrophobicContact CG-CD1 4.4Å; W29-L49 HydrophobicContact CH2-CD1 4.35Å; W29-L49 HydrophobicContact CZ2-CD1 4.19Å; W29-L49 HydrophobicContact CZ2-CD2 4.38Å; W29-L49 HydrophobicContact CZ3-CD1 4.23Å; W29-A79 HydrophobicContact CH2-CB 4.5Å; W29-A79 HydrophobicContact CZ3-CB 4.12Å; W29-I83 HydrophobicContact CH2-CD1 3.19Å; W29-I83 HydrophobicContact CH2-CG1 4.47Å; W29-I83 HydrophobicContact CZ2-CD1 3.17Å; W29-I83 HydrophobicContact CZ3-CD1 4.49Å; W29-V135 HydrophobicContact CH2-CG2 3.9Å; W29-V135 HydrophobicContact CZ2-CG2 4.49Å; W29-S138 WeakPolarHBondContact CZ3-OG 3.24Å; W29-G160 PolarHBondContact O-N 2.84Å; W29-S162 VanDerWaalsContact CA-OG 3.24Å; W29-S162 WeakPolarHBondContact CA-OG 3.29Å; W29-S162 VanDerWaalsContact CG-OG 3.28Å; W29-S162 PolarHBondContact N-OG 2.98Å; W29-S162 PolarHBondContact NE1-OG 3.08Å; W29-L163 HydrophobicContact CD2-CD2 4.19Å; W29-L163 HydrophobicContact CE3-CD2 3.7Å; W29-L163 HydrophobicContact CH2-CD2 4.45Å; W29-L163 HydrophobicContact CZ3-CD2 3.86Å; W29-L163 WeakPolarHBondContact O-CD1 3.42Å
30	R	87.4	Confident	80.2	Confident	13 Å²	13	54.6 Å²	54.6	5%	0.049	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.4	176	-47.9	169.7	73.6	-169	23.8	107.9	E47 I142 R157	R30-E47 HydrophobicContact CB-CB 4.17Å; R30-E47 WeakPolarHBondContact CD-OE2 3.36Å; R30-E47 IonicContact CZ-OE2 3.33Å; R30-E47 PolarHBondContact N-O 2.87Å; R30-E47 IonicContact NE-OE2 2.78Å; R30-E47 IonicContact NH1-OE2 3.78Å; R30-E47 PolarHBondContact NH1-OE2 3.39Å; R30-E47 PolarHBondContact O-N 3.03Å; R30-I142 HydrophobicContact CB-CD1 4.41Å; R30-I142 HydrophobicContact CG-CD1 3.91Å; R30-I142 HydrophobicContact CG-CG1 4.32Å; R30-R157 VanDerWaalsContact CZ-CD 3.43Å
31	V	87.6	Confident	78.6	Confident	18 Å²	18	58.3 Å²	58.3	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.4	176.4	179.6	0	0	0	0	107.7	T44 I45 W46 E158	V31-T44 HydrophobicContact CG1-CG2 3.94Å; V31-I45 WeakPolarHBondContact CA-O 3.29Å; V31-W46 HydrophobicContact CG2-CD2 4.42Å; V31-W46 HydrophobicContact CG2-CE3 4.1Å; V31-E158 HydrophobicContact CB-CB 4.35Å; V31-E158 PolarHBondContact N-O 2.78Å; V31-E158 PolarHBondContact O-N 2.86Å
32	T	83.6	Confident	77.1	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.043	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.2	174.2	66	0	0	0	0	108.6	I45 R157	T32-I45 PolarHBondContact N-O 3.3Å; T32-I45 PolarHBondContact O-N 2.98Å; T32-I45 WeakPolarHBondContact OG1-CB 3.15Å; T32-R157 HydrophobicContact CG2-CB 4.08Å; T32-R157 HydrophobicContact CG2-CG 3.61Å
33	A	78.5	Confident	76.3	Confident	24 Å²	24	57.1 Å²	57.1	20%	0.198	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111	173.8	0	0	0	0	0	108.6	I35	A33-I35 HydrophobicContact CB-CD1 3.57Å; A33-I35 HydrophobicContact CB-CG1 4.31Å; A33-I35 PolarHBondContact O-N 2.99Å
34	F	73.6	Confident	75.8	Confident	58 Å²	58	59.4 Å²	59.4	25%	0.254	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	96.7	169.2	-71.9	-89.7	0	0	0	107.9	S42 Q43 I45 A154 Q155	F34-S42 VanDerWaalsContact O-CA 3.29Å; F34-S42 WeakPolarHBondContact O-CA 3.36Å; F34-Q43 HydrophobicContact CB-CG 3.85Å; F34-Q43 HydrophobicContact CD2-CG 4.04Å; F34-Q43 HydrophobicContact CG-CG 4.23Å; F34-Q43 PolarHBondContact N-O 3.44Å; F34-Q43 PolarHBondContact O-N 3.46Å; F34-I45 HydrophobicContact CD2-CD1 3.88Å; F34-I45 HydrophobicContact CD2-CG1 4.07Å; F34-I45 HydrophobicContact CE2-CD1 3.47Å; F34-I45 VanDerWaalsContact CE2-CD1 3.47Å; F34-I45 HydrophobicContact CE2-CG1 4.03Å; F34-A154 WeakPolarHBondContact CD1-O 3.31Å; F34-Q155 HydrophobicContact CE1-CG 3.81Å
35	I	63.8	Low	75.5	Confident	125 Å²	125	60.2 Å²	60.2	64%	0.641	35%	0.349	S	S	*	.			trans	-100.5	85.5	171.3	-52.8	110.4	0	0	0	108.1	A33	A33-I35 HydrophobicContact CB-CD1 3.57Å; A33-I35 HydrophobicContact CB-CG1 4.31Å; A33-I35 PolarHBondContact O-N 2.99Å
36	G	59.7	Low	75.4	Confident	33 Å²	33	61.1 Å²	61.1	34%	0.34	34%	0.34	S	S	.	.			trans	-77.8	162.6	165.9	0	0	0	0	0	111.4	N38	G36-N38 PolarHBondContact O-N 2.76Å
37	S	56.4	Low	75.3	Confident	124 Å²	124	60.4 Å²	60.4	87%	0.867	34%	0.335	S	S	*	.	S	Bend	trans	-62.2	-9.7	176.6	50.1	0	0	0	0	114.7
38	N	54.5	Low	75.3	Confident	105 Å²	105	59.1 Å²	59.1	56%	0.561	33%	0.327	S	S	*	.	S	Bend	trans	-111.1	124	175.9	-70.9	-50.5	0	0	0	111	G36 I40 T41	G36-N38 PolarHBondContact O-N 2.76Å; N38-I40 PolarHBondContact O-N 3.42Å; N38-I40 VanDerWaalsContact O-N 3.12Å; N38-T41 PolarHBondContact O-N 2.86Å; N38-T41 VanDerWaalsContact O-N 3.1Å; N38-T41 PolarHBondContact O-OG1 2.81Å
39	I	55.1	Low	75.1	Confident	144 Å²	144	57 Å²	57	74%	0.738	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-57.4	-27.5	178.6	-59.6	165.3	0	0	0	111.6	T41 S42 S57	I39-T41 VanDerWaalsContact C-N 3.26Å; I39-T41 PolarHBondContact O-N 2.81Å; I39-S42 PolarHBondContact O-N 2.88Å; I39-S42 PolarHBondContact O-OG 3.03Å; I39-S42 VanDerWaalsContact O-OG 3.07Å; I39-S57 PolarHBondContact O-OG 3.47Å
40	I	57.9	Low	75	Confident	164 Å²	164	62.3 Å²	62.3	84%	0.841	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.2	-178	-57.9	170.9	0	0	0	112.4	N38	N38-I40 PolarHBondContact O-N 3.42Å; N38-I40 VanDerWaalsContact O-N 3.12Å
41	T	61	Low	75.1	Confident	81 Å²	81	64.6 Å²	64.6	50%	0.497	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-109.8	5.6	-180	53.4	0	0	0	0	113.6	N38 I39 Q43	N38-T41 PolarHBondContact O-N 2.86Å; N38-T41 VanDerWaalsContact O-N 3.1Å; N38-T41 PolarHBondContact O-OG1 2.81Å; I39-T41 VanDerWaalsContact C-N 3.26Å; I39-T41 PolarHBondContact O-N 2.81Å; T41-Q43 PolarHBondContact O-N 2.76Å
42	S	64.9	Low	75.2	Confident	36 Å²	36	65.7 Å²	65.7	25%	0.252	35%	0.354	S	S	.	.			trans	-73.1	121.7	178.7	64.4	0	0	0	0	110.6	F34 I39 S57	F34-S42 VanDerWaalsContact O-CA 3.29Å; F34-S42 WeakPolarHBondContact O-CA 3.36Å; I39-S42 PolarHBondContact O-N 2.88Å; I39-S42 PolarHBondContact O-OG 3.03Å; I39-S42 VanDerWaalsContact O-OG 3.07Å; S42-S57 PolarHBondContact O-N 3.25Å; S42-S57 PolarHBondContact O-OG 3.02Å; S42-S57 WeakPolarHBondContact OG-CB 3.36Å; S42-S57 PolarHBondContact OG-OG 3.36Å
43	Q	78.1	Confident	75.4	Confident	69 Å²	69	66 Å²	66	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.2	-179.3	57.3	-174.5	-32.1	0	0	110.2	F34 T41 V54 V55	F34-Q43 HydrophobicContact CB-CG 3.85Å; F34-Q43 HydrophobicContact CD2-CG 4.04Å; F34-Q43 HydrophobicContact CG-CG 4.23Å; F34-Q43 PolarHBondContact N-O 3.44Å; F34-Q43 PolarHBondContact O-N 3.46Å; T41-Q43 PolarHBondContact O-N 2.76Å; Q43-V54 HydrophobicContact CB-CG1 4.13Å; Q43-V55 WeakPolarHBondContact CA-O 3.36Å
44	T	84.7	Confident	75.9	Confident	50 Å²	50	66 Å²	66	31%	0.307	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.6	172.8	-52.3	0	0	0	0	108.4	V31 V55	V31-T44 HydrophobicContact CG1-CG2 3.94Å; T44-V55 PolarHBondContact N-O 3.16Å; T44-V55 PolarHBondContact O-N 2.87Å
45	I	86.8	Confident	76.5	Confident	27 Å²	27	65.9 Å²	65.9	14%	0.138	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.1	178.6	-47.6	-171.5	0	0	0	108.7	V31 T32 F34 E47 C53 V54	V31-I45 WeakPolarHBondContact CA-O 3.29Å; T32-I45 PolarHBondContact N-O 3.3Å; T32-I45 PolarHBondContact O-N 2.98Å; T32-I45 WeakPolarHBondContact OG1-CB 3.15Å; F34-I45 HydrophobicContact CD2-CD1 3.88Å; F34-I45 HydrophobicContact CD2-CG1 4.07Å; F34-I45 HydrophobicContact CE2-CD1 3.47Å; F34-I45 VanDerWaalsContact CE2-CD1 3.47Å; F34-I45 HydrophobicContact CE2-CG1 4.03Å; I45-E47 HydrophobicContact CG2-CG 4.2Å; I45-C53 CarbonylContact C-O 3.57Å; I45-C53 WeakPolarHBondContact CA-O 3.43Å; I45-V54 HydrophobicContact CB-CG2 4.48Å; I45-V54 HydrophobicContact CD1-CG2 4.35Å; I45-V54 HydrophobicContact CG1-CG1 4.31Å; I45-V54 HydrophobicContact CG1-CG2 4.08Å; I45-V54 HydrophobicContact CG2-CG2 4.09Å
46	W	88.8	Confident	77.4	Confident	81 Å²	81	63.6 Å²	63.6	31%	0.307	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.2	176	-55.6	62.5	0	0	0	106.2	P27 M28 V31 N52 C53	P27-W46 CarbonylContact O-C 3.54Å; P27-W46 WeakPolarHBondContact O-CB 3.24Å; M28-W46 HydrophobicContact CB-CE3 3.95Å; M28-W46 HydrophobicContact CB-CZ3 4.28Å; M28-W46 HydrophobicContact CG-CE3 3.47Å; M28-W46 VanDerWaalsContact CG-CE3 3.47Å; M28-W46 HydrophobicContact CG-CZ3 3.78Å; M28-W46 HydrophobicContact SD-CE3 3.61Å; M28-W46 HydrophobicContact SD-CH2 4.25Å; M28-W46 HydrophobicContact SD-CZ3 3.22Å; M28-W46 WeakPolarHBondContact SD-CZ3 3.37Å; V31-W46 HydrophobicContact CG2-CD2 4.42Å; V31-W46 HydrophobicContact CG2-CE3 4.1Å; W46-N52 CarbonylContact O-C 3.6Å; W46-N52 VanDerWaalsContact O-CA 3.28Å; W46-N52 WeakPolarHBondContact O-CA 3.36Å; W46-C53 HydrophobicContact CB-CB 4.29Å; W46-C53 PolarHBondContact N-O 2.89Å; W46-C53 PolarHBondContact O-N 3.3Å
47	E	88.4	Confident	78.2	Confident	37 Å²	37	65 Å²	65	17%	0.173	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118	176.3	-58.4	-173.6	145.6	0	0	108.4	P27 W29 R30 I45	P27-E47 CarbonylContact O-C 3.05Å; W29-E47 WeakPolarHBondContact CA-O 3.45Å; W29-E47 VanDerWaalsContact CB-O 3.29Å; W29-E47 WeakPolarHBondContact CB-O 3.41Å; W29-E47 PolarHBondContact N-O 3.35Å; R30-E47 HydrophobicContact CB-CB 4.17Å; R30-E47 WeakPolarHBondContact CD-OE2 3.36Å; R30-E47 IonicContact CZ-OE2 3.33Å; R30-E47 PolarHBondContact N-O 2.87Å; R30-E47 IonicContact NE-OE2 2.78Å; R30-E47 IonicContact NH1-OE2 3.78Å; R30-E47 PolarHBondContact NH1-OE2 3.39Å; R30-E47 PolarHBondContact O-N 3.03Å; I45-E47 HydrophobicContact CG2-CG 4.2Å
48	G	89.6	Confident	79.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.338	C	S	.	.			trans	-97.7	175.2	173.4	0	0	0	0	0	113.7	P27 M51	P27-G48 VanDerWaalsContact C-CA 3.46Å; P27-G48 PolarHBondContact O-N 3.31Å; G48-M51 CarbonylContact C-O 3.57Å; G48-M51 WeakPolarHBondContact CA-O 3.38Å; G48-M51 PolarHBondContact N-O 2.91Å
49	L	86.6	Confident	80.2	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-74.6	-24.3	171.9	-141	73.1	0	0	0	112.3	W29 L76 A79 R80	W29-L49 HydrophobicContact CD2-CD1 3.85Å; W29-L49 HydrophobicContact CE3-CD1 3.99Å; W29-L49 HydrophobicContact CG-CD1 4.4Å; W29-L49 HydrophobicContact CH2-CD1 4.35Å; W29-L49 HydrophobicContact CZ2-CD1 4.19Å; W29-L49 HydrophobicContact CZ2-CD2 4.38Å; W29-L49 HydrophobicContact CZ3-CD1 4.23Å; L49-L76 HydrophobicContact CD1-CG 4.37Å; L49-A79 HydrophobicContact CD1-CB 4.12Å; L49-R80 HydrophobicContact CD1-CG 4.14Å; L49-R80 HydrophobicContact CD2-CB 4.37Å; L49-R80 HydrophobicContact CD2-CG 3.85Å; L49-R80 HydrophobicContact CG-CB 4.5Å; L49-R80 HydrophobicContact CG-CG 3.53Å; L49-R80 PolarHBondContact O-NE 2.83Å; L49-R80 PolarHBondContact O-NH2 2.71Å
50	W	88.8	Confident	81.4	Confident	112 Å²	112	60.8 Å²	60.8	42%	0.424	33%	0.332	S	S	.	.	S	Bend	trans	-124.9	-21.6	-178.6	-61.6	94.7	0	0	0	114.7	C24 Y66 V84	C24-W50 PolarHBondContact O-NE1 2.93Å; C24-W50 PolarHBondContact SG-NE1 3.15Å; W50-Y66 WeakPolarHBondContact O-CD2 3.34Å; W50-Y66 PolarHBondContact O-N 2.85Å; W50-V84 HydrophobicContact CH2-CG2 4.41Å; W50-V84 HydrophobicContact CZ2-CG2 3.95Å
51	M	88.9	Confident	82.7	Confident	61 Å²	61	60.2 Å²	60.2	30%	0.3	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	159.8	179.9	65.5	-174.7	75.9	0	0	109	P27 G48 K64 V65	P27-M51 HydrophobicContact CB-CG 3.6Å; P27-M51 HydrophobicContact CB-SD 4.25Å; P27-M51 HydrophobicContact CG-CG 4.34Å; P27-M51 HydrophobicContact CG-SD 4.37Å; G48-M51 CarbonylContact C-O 3.57Å; G48-M51 WeakPolarHBondContact CA-O 3.38Å; G48-M51 PolarHBondContact N-O 2.91Å; M51-K64 CarbonylContact C-O 3.52Å; M51-K64 VanDerWaalsContact CA-O 3.24Å; M51-K64 WeakPolarHBondContact CA-O 3.31Å; M51-K64 VanDerWaalsContact CB-O 3.31Å; M51-K64 WeakPolarHBondContact CB-O 3.22Å; M51-V65 HydrophobicContact CB-CG2 4.34Å
52	N	88.6	Confident	84	Confident	42 Å²	42	62 Å²	62	23%	0.225	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.1	165.3	61.2	-9.8	0	0	0	109.8	W46 C63 K64 Y66	W46-N52 CarbonylContact O-C 3.6Å; W46-N52 VanDerWaalsContact O-CA 3.28Å; W46-N52 WeakPolarHBondContact O-CA 3.36Å; N52-C63 CarbonylContact O-C 3.47Å; N52-C63 VanDerWaalsContact O-CA 3.28Å; N52-C63 WeakPolarHBondContact O-CA 3.32Å; N52-K64 PolarHBondContact N-O 3.42Å; N52-K64 PolarHBondContact O-N 3.49Å; N52-K64 PolarHBondContact OD1-O 2.9Å; N52-Y66 HydrophobicContact CB-CE1 4.42Å
53	C	89.4	Confident	85.2	Confident	13 Å²	13	63.8 Å²	63.8	9%	0.088	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.2	176.3	-63.2	0	0	0	0	109.3	I45 W46 Q62 C63	I45-C53 CarbonylContact C-O 3.57Å; I45-C53 WeakPolarHBondContact CA-O 3.43Å; W46-C53 HydrophobicContact CB-CB 4.29Å; W46-C53 PolarHBondContact N-O 2.89Å; W46-C53 PolarHBondContact O-N 3.3Å; C53-Q62 CarbonylContact C-O 3.55Å; C53-Q62 WeakPolarHBondContact CA-O 3.25Å; C53-C63 HydrophobicContact CB-CB 4.17Å; C53-C63 WeakPolarHBondContact CB-SG 3.48Å; C53-C63 WeakPolarHBondContact SG-CB 3.31Å; C53-C63 CovalentContact SG-SG 2.05Å; C53-C63 PolarHBondContact SG-SG 3.38Å
54	V	88	Confident	85.6	Confident	25 Å²	25	66.4 Å²	66.4	15%	0.152	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.6	176.7	-177.6	0	0	0	0	108.2	Q43 I45 Q56 M61 Q62	Q43-V54 HydrophobicContact CB-CG1 4.13Å; I45-V54 HydrophobicContact CB-CG2 4.48Å; I45-V54 HydrophobicContact CD1-CG2 4.35Å; I45-V54 HydrophobicContact CG1-CG1 4.31Å; I45-V54 HydrophobicContact CG1-CG2 4.08Å; I45-V54 HydrophobicContact CG2-CG2 4.09Å; V54-Q56 HydrophobicContact CG1-CG 4.43Å; V54-M61 WeakPolarHBondContact O-CA 3.36Å; V54-Q62 PolarHBondContact N-O 3.15Å; V54-Q62 PolarHBondContact O-N 2.96Å
55	V	86.3	Confident	85.8	Confident	55 Å²	55	68.5 Å²	68.5	33%	0.333	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.3	172.4	-178.3	0	0	0	0	107.8	Q43 T44 M61	Q43-V55 WeakPolarHBondContact CA-O 3.36Å; T44-V55 PolarHBondContact N-O 3.16Å; T44-V55 PolarHBondContact O-N 2.87Å; V55-M61 HydrophobicContact CG2-CB 4.28Å
56	Q	83.4	Confident	85.6	Confident	77 Å²	77	69.7 Å²	69.7	36%	0.36	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	157.3	176.6	-67.3	172.3	14.3	0	0	110.6	V54 T58 G59 Q60	V54-Q56 HydrophobicContact CG1-CG 4.43Å; Q56-T58 PolarHBondContact O-N 3.44Å; Q56-G59 PolarHBondContact O-N 3.02Å; Q56-Q60 PolarHBondContact N-O 2.96Å; Q56-Q60 VanDerWaalsContact N-O 3.14Å
57	S	75.6	Confident	84.7	Confident	63 Å²	63	71.7 Å²	71.7	44%	0.441	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.9	177.9	1.4	0	0	0	0	114.1	I39 S42 G59	I39-S57 PolarHBondContact O-OG 3.47Å; S42-S57 PolarHBondContact O-N 3.25Å; S42-S57 PolarHBondContact O-OG 3.02Å; S42-S57 WeakPolarHBondContact OG-CB 3.36Å; S42-S57 PolarHBondContact OG-OG 3.36Å; S57-G59 PolarHBondContact O-N 3.3Å
58	T	75.8	Confident	83.7	Confident	105 Å²	105	73.3 Å²	73.3	64%	0.644	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.8	171.5	55.4	0	0	0	0	113.5	Q56 Q60	Q56-T58 PolarHBondContact O-N 3.44Å; T58-Q60 VanDerWaalsContact C-N 3.27Å; T58-Q60 PolarHBondContact O-N 3.46Å
59	G	77	Confident	82.2	Confident	60 Å²	60	78.4 Å²	78.4	62%	0.619	43%	0.427	S	S	*	.	S	Bend	trans	80.5	2.1	-179.5	0	0	0	0	0	114.3	Q56 S57	Q56-G59 PolarHBondContact O-N 3.02Å; S57-G59 PolarHBondContact O-N 3.3Å
60	Q	80.8	Confident	80.9	Confident	119 Å²	119	86.3 Å²	86.3	56%	0.556	47%	0.468	S	S	*	.			trans	-76.2	124.7	174.7	-65.1	-69.1	-57.5	0	0	109.8	Q56 T58	Q56-Q60 PolarHBondContact N-O 2.96Å; Q56-Q60 VanDerWaalsContact N-O 3.14Å; T58-Q60 VanDerWaalsContact C-N 3.27Å; T58-Q60 PolarHBondContact O-N 3.46Å
61	M	85.9	Confident	79.2	Confident	152 Å²	152	85.2 Å²	85.2	75%	0.749	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.1	168.8	71.9	176.5	-173.4	0	0	109.7	V54 V55	V54-M61 WeakPolarHBondContact O-CA 3.36Å; V55-M61 HydrophobicContact CG2-CB 4.28Å
62	Q	86.8	Confident	78.1	Confident	117 Å²	117	82.8 Å²	82.8	55%	0.547	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	116.5	176.5	-66.8	-173.2	-28.8	0	0	108.9	C53 V54	C53-Q62 CarbonylContact C-O 3.55Å; C53-Q62 WeakPolarHBondContact CA-O 3.25Å; V54-Q62 PolarHBondContact N-O 3.15Å; V54-Q62 PolarHBondContact O-N 2.96Å
63	C	90.6	Very high	77.2	Confident	75 Å²	75	83.5 Å²	83.5	51%	0.507	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.7	173.4	-64.7	0	0	0	0	109.7	N52 C53	N52-C63 CarbonylContact O-C 3.47Å; N52-C63 VanDerWaalsContact O-CA 3.28Å; N52-C63 WeakPolarHBondContact O-CA 3.32Å; C53-C63 HydrophobicContact CB-CB 4.17Å; C53-C63 WeakPolarHBondContact CB-SG 3.48Å; C53-C63 WeakPolarHBondContact SG-CB 3.31Å; C53-C63 CovalentContact SG-SG 2.05Å; C53-C63 PolarHBondContact SG-SG 3.38Å
64	K	87.7	Confident	76.6	Confident	123 Å²	123	90.9 Å²	90.9	54%	0.535	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.7	178.1	-167.1	-178.5	175.1	-171.3	0	110	M51 N52 D67	M51-K64 CarbonylContact C-O 3.52Å; M51-K64 VanDerWaalsContact CA-O 3.24Å; M51-K64 WeakPolarHBondContact CA-O 3.31Å; M51-K64 VanDerWaalsContact CB-O 3.31Å; M51-K64 WeakPolarHBondContact CB-O 3.22Å; N52-K64 PolarHBondContact N-O 3.42Å; N52-K64 PolarHBondContact O-N 3.49Å; N52-K64 PolarHBondContact OD1-O 2.9Å; K64-D67 WeakPolarHBondContact CE-OD2 3.03Å; K64-D67 IonicContact NZ-OD2 3.71Å; K64-D67 PolarHBondContact NZ-OD2 3.13Å
65	V	88.1	Confident	76	Confident	94 Å²	94	92.8 Å²	92.8	57%	0.57	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	143.6	171.7	-179.3	0	0	0	0	108.6	M51 D67	M51-V65 HydrophobicContact CB-CG2 4.34Å; V65-D67 PolarHBondContact O-N 3.49Å; V65-D67 VanDerWaalsContact O-N 3.13Å
66	Y	82.6	Confident	75.6	Confident	52 Å²	52	90.4 Å²	90.4	20%	0.204	51%	0.506	C	S	.	.			trans	-68.6	111.8	176.7	-65.5	-77	0	0	0	110.4	W50 N52 S68 L72	W50-Y66 WeakPolarHBondContact O-CD2 3.34Å; W50-Y66 PolarHBondContact O-N 2.85Å; N52-Y66 HydrophobicContact CB-CE1 4.42Å; Y66-S68 PolarHBondContact O-N 3.31Å; Y66-L72 HydrophobicContact CD1-CD1 3.89Å; Y66-L72 HydrophobicContact CD2-CD1 4.05Å; Y66-L72 HydrophobicContact CE1-CD1 3.67Å; Y66-L72 HydrophobicContact CE2-CD1 3.82Å; Y66-L72 HydrophobicContact CG-CD1 4.06Å
67	D	70.8	Confident	75.6	Confident	124 Å²	124	90.8 Å²	90.8	66%	0.663	51%	0.508	S	S	*	.	S	Bend	trans	-66.8	-19.6	-177.2	-65.1	-42.5	0	0	0	113.6	K64 V65	K64-D67 WeakPolarHBondContact CE-OD2 3.03Å; K64-D67 IonicContact NZ-OD2 3.71Å; K64-D67 PolarHBondContact NZ-OD2 3.13Å; V65-D67 PolarHBondContact O-N 3.49Å; V65-D67 VanDerWaalsContact O-N 3.13Å
68	S	65.6	Low	76.1	Confident	71 Å²	71	90.3 Å²	90.3	50%	0.497	51%	0.508	S	S	.	.			trans	-148	129.7	-178.8	-68.6	0	0	0	0	111.9	Y66 L70 A71	Y66-S68 PolarHBondContact O-N 3.31Å; S68-L70 PolarHBondContact O-N 3.48Å; S68-A71 PolarHBondContact O-N 2.94Å
69	L	59.9	Low	76.7	Confident	107 Å²	107	85.4 Å²	85.4	56%	0.56	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-63	-24	178.4	-65	174.4	0	0	0	112.9
70	L	57.8	Low	77.3	Confident	165 Å²	165	83.3 Å²	83.3	86%	0.864	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-80.2	-15	-176.6	-153.7	71.1	0	0	0	113.8	S68	S68-L70 PolarHBondContact O-N 3.48Å
71	A	53.6	Low	77.8	Confident	89 Å²	89	80.4 Å²	80.4	74%	0.736	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-90.6	-0	179.3	0	0	0	0	0	113.2	S68	S68-A71 PolarHBondContact O-N 2.94Å
72	L	64.9	Low	78.1	Confident	10 Å²	10	76 Å²	76	5%	0.052	43%	0.427	C	S	.	.	S	Bend	trans	-91.3	142.7	-176.9	-160.7	75.8	0	0	0	110.8	Y66 Q74 L76 Q77 R80	Y66-L72 HydrophobicContact CD1-CD1 3.89Å; Y66-L72 HydrophobicContact CD2-CD1 4.05Å; Y66-L72 HydrophobicContact CE1-CD1 3.67Å; Y66-L72 HydrophobicContact CE2-CD1 3.82Å; Y66-L72 HydrophobicContact CG-CD1 4.06Å; L72-Q74 PolarHBondContact O-N 3.29Å; L72-L76 HydrophobicContact CD1-CB 4.46Å; L72-L76 HydrophobicContact CD1-CD2 3.96Å; L72-L76 HydrophobicContact CD2-CB 3.62Å; L72-L76 HydrophobicContact CD2-CD2 4.36Å; L72-L76 HydrophobicContact CG-CB 3.82Å; L72-L76 HydrophobicContact CG-CD2 4.26Å; L72-Q77 HydrophobicContact CD2-CB 4.45Å; L72-R80 VanDerWaalsContact CD2-NE 3.25Å; L72-R80 VanDerWaalsContact CD2-NH2 3.3Å
73	P	70.7	Confident	78.4	Confident	58 Å²	58	70.5 Å²	70.5	38%	0.377	40%	0.401	S	S	.	.			trans	-55.9	137.7	172.2	18.2	-29.4	0	0	0	111.4	D75 L76 Q77	P73-D75 PolarHBondContact O-N 3.16Å; P73-D75 VanDerWaalsContact O-N 3.13Å; P73-L76 HydrophobicContact CG-CB 4.27Å; P73-L76 PolarHBondContact O-N 2.78Å; P73-Q77 PolarHBondContact O-N 3.02Å
74	Q	76.3	Confident	78.6	Confident	167 Å²	167	69.4 Å²	69.4	78%	0.78	39%	0.393	S	S	*	.	H	α-helix	trans	-53.1	-36.5	-175.5	-78.5	177	-36.8	0	0	113.1	L72 L76 Q77 A78	L72-Q74 PolarHBondContact O-N 3.29Å; Q74-L76 VanDerWaalsContact C-N 3.35Å; Q74-L76 PolarHBondContact O-N 2.97Å; Q74-Q77 PolarHBondContact O-N 3.4Å; Q74-A78 PolarHBondContact O-N 3Å
75	D	76.5	Confident	79	Confident	66 Å²	66	67.3 Å²	67.3	35%	0.353	39%	0.39	S	S	.	.	H	α-helix	trans	-59.3	-42.7	176.5	-71.1	-48.9	0	0	0	112.5	P73 A79 W137	P73-D75 PolarHBondContact O-N 3.16Å; P73-D75 VanDerWaalsContact O-N 3.13Å; D75-A79 WeakPolarHBondContact O-CB 3.26Å; D75-A79 PolarHBondContact O-N 2.93Å; D75-W137 PolarHBondContact OD1-NE1 2.85Å
76	L	77.3	Confident	79.4	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-72.3	-33.3	178.7	-110.5	73.9	0	0	0	111.7	L49 L72 P73 Q74 A79 R80	L49-L76 HydrophobicContact CD1-CG 4.37Å; L72-L76 HydrophobicContact CD1-CB 4.46Å; L72-L76 HydrophobicContact CD1-CD2 3.96Å; L72-L76 HydrophobicContact CD2-CB 3.62Å; L72-L76 HydrophobicContact CD2-CD2 4.36Å; L72-L76 HydrophobicContact CG-CB 3.82Å; L72-L76 HydrophobicContact CG-CD2 4.26Å; P73-L76 HydrophobicContact CG-CB 4.27Å; P73-L76 PolarHBondContact O-N 2.78Å; Q74-L76 VanDerWaalsContact C-N 3.35Å; Q74-L76 PolarHBondContact O-N 2.97Å; L76-A79 PolarHBondContact O-N 3.46Å; L76-R80 WeakPolarHBondContact O-CG 3.46Å; L76-R80 PolarHBondContact O-N 3.39Å
77	Q	84.1	Confident	80.1	Confident	85 Å²	85	61.7 Å²	61.7	40%	0.397	36%	0.36	S	S	.	.	H	α-helix	trans	-68.2	-42	177.2	-171.4	178.4	-1.6	0	0	111.3	L72 P73 Q74 R80 A81	L72-Q77 HydrophobicContact CD2-CB 4.45Å; P73-Q77 PolarHBondContact O-N 3.02Å; Q74-Q77 PolarHBondContact O-N 3.4Å; Q77-R80 WeakPolarHBondContact O-CB 3.22Å; Q77-R80 PolarHBondContact O-N 2.89Å; Q77-A81 PolarHBondContact O-N 3.24Å
78	A	85	Confident	81.3	Confident	53 Å²	53	61.3 Å²	61.3	44%	0.438	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-42.7	172.6	0	0	0	0	0	111.3	Q74 R80 A81 L82	Q74-A78 PolarHBondContact O-N 3Å; A78-R80 PolarHBondContact O-N 3.22Å; A78-A81 PolarHBondContact O-N 3.06Å; A78-L82 WeakPolarHBondContact O-CG 3.36Å; A78-L82 PolarHBondContact O-N 3.4Å
79	A	88	Confident	82.8	Confident	2 Å²	2	60 Å²	60	2%	0.017	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-41.1	176.8	0	0	0	0	0	113	W29 L49 D75 L76 L82 I83 P134	W29-A79 HydrophobicContact CH2-CB 4.5Å; W29-A79 HydrophobicContact CZ3-CB 4.12Å; L49-A79 HydrophobicContact CD1-CB 4.12Å; D75-A79 WeakPolarHBondContact O-CB 3.26Å; D75-A79 PolarHBondContact O-N 2.93Å; L76-A79 PolarHBondContact O-N 3.46Å; A79-L82 PolarHBondContact O-N 3.45Å; A79-I83 WeakPolarHBondContact O-CB 3.46Å; A79-I83 PolarHBondContact O-N 2.93Å; A79-P134 HydrophobicContact CB-CB 3.82Å
80	R	90.1	Very high	84.5	Confident	16 Å²	16	54.9 Å²	54.9	6%	0.06	32%	0.318	C	S	.	.	H	α-helix	trans	-53.8	-55.5	172.1	-78.1	174.5	-173.4	-167.3	0.5	111.7	L49 L72 L76 Q77 A78 L82 I83 V84	L49-R80 HydrophobicContact CD1-CG 4.14Å; L49-R80 HydrophobicContact CD2-CB 4.37Å; L49-R80 HydrophobicContact CD2-CG 3.85Å; L49-R80 HydrophobicContact CG-CB 4.5Å; L49-R80 HydrophobicContact CG-CG 3.53Å; L49-R80 PolarHBondContact O-NE 2.83Å; L49-R80 PolarHBondContact O-NH2 2.71Å; L72-R80 VanDerWaalsContact CD2-NE 3.25Å; L72-R80 VanDerWaalsContact CD2-NH2 3.3Å; L76-R80 WeakPolarHBondContact O-CG 3.46Å; L76-R80 PolarHBondContact O-N 3.39Å; Q77-R80 WeakPolarHBondContact O-CB 3.22Å; Q77-R80 PolarHBondContact O-N 2.89Å; A78-R80 PolarHBondContact O-N 3.22Å; R80-L82 PolarHBondContact O-N 2.8Å; R80-I83 PolarHBondContact O-N 3.06Å; R80-V84 WeakPolarHBondContact O-CB 3.28Å; R80-V84 VanDerWaalsContact O-CG2 3.26Å; R80-V84 WeakPolarHBondContact O-CG2 3.31Å; R80-V84 PolarHBondContact O-N 2.98Å
81	A	90.8	Very high	86.4	Confident	59 Å²	59	48.4 Å²	48.4	49%	0.488	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-47.3	-175.9	0	0	0	0	0	111.1	Q77 A78 I83 V84 V85	Q77-A81 PolarHBondContact O-N 3.24Å; A78-A81 PolarHBondContact O-N 3.06Å; A81-I83 PolarHBondContact O-N 2.75Å; A81-V84 PolarHBondContact O-N 3.13Å; A81-V85 WeakPolarHBondContact O-CB 3.39Å; A81-V85 VanDerWaalsContact O-CG2 3.22Å; A81-V85 WeakPolarHBondContact O-CG2 3.38Å; A81-V85 PolarHBondContact O-N 3.4Å
82	L	92.4	Very high	88.4	Confident	58 Å²	58	49.9 Å²	49.9	30%	0.304	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-43.7	-179	-70.4	170.9	0	0	0	112.5	A78 A79 R80 A86 L130 V133 P134	A78-L82 WeakPolarHBondContact O-CG 3.36Å; A78-L82 PolarHBondContact O-N 3.4Å; A79-L82 PolarHBondContact O-N 3.45Å; R80-L82 PolarHBondContact O-N 2.8Å; L82-A86 WeakPolarHBondContact O-CB 3.31Å; L82-A86 PolarHBondContact O-N 2.99Å; L82-L130 HydrophobicContact CD2-CD2 4.04Å; L82-V133 HydrophobicContact CD1-CG1 4.45Å; L82-P134 HydrophobicContact CB-CB 4.23Å; L82-P134 HydrophobicContact CB-CG 3.88Å; L82-P134 HydrophobicContact CD1-CB 4.1Å; L82-P134 HydrophobicContact CD1-CG 4.34Å
83	I	94.3	Very high	89.8	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-41.3	179.2	-76.8	-174.3	0	0	0	112.3	C24 W29 A79 R80 A81 V85 A86 I87 P134 V135	C24-I83 HydrophobicContact CB-CG2 3.65Å; W29-I83 HydrophobicContact CH2-CD1 3.19Å; W29-I83 HydrophobicContact CH2-CG1 4.47Å; W29-I83 HydrophobicContact CZ2-CD1 3.17Å; W29-I83 HydrophobicContact CZ3-CD1 4.49Å; A79-I83 WeakPolarHBondContact O-CB 3.46Å; A79-I83 PolarHBondContact O-N 2.93Å; R80-I83 PolarHBondContact O-N 3.06Å; A81-I83 PolarHBondContact O-N 2.75Å; I83-V85 VanDerWaalsContact C-N 3.33Å; I83-V85 PolarHBondContact O-N 3.44Å; I83-A86 WeakPolarHBondContact O-CB 3.39Å; I83-A86 PolarHBondContact O-N 3.44Å; I83-I87 HydrophobicContact CG2-CD1 3.76Å; I83-I87 HydrophobicContact CG2-CG1 4.35Å; I83-I87 VanDerWaalsContact O-CG1 3.3Å; I83-I87 WeakPolarHBondContact O-CG1 3.3Å; I83-I87 PolarHBondContact O-N 3.23Å; I83-P134 HydrophobicContact CD1-CG 4.36Å; I83-P134 HydrophobicContact CG1-CG 3.84Å; I83-V135 HydrophobicContact CD1-CG2 4.44Å
84	V	95.1	Very high	91	Very high	53 Å²	53	48.2 Å²	48.2	32%	0.321	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-44.7	177.2	172.1	0	0	0	0	110.2	W50 R80 A81 A86 I87 L88	W50-V84 HydrophobicContact CH2-CG2 4.41Å; W50-V84 HydrophobicContact CZ2-CG2 3.95Å; R80-V84 WeakPolarHBondContact O-CB 3.28Å; R80-V84 VanDerWaalsContact O-CG2 3.26Å; R80-V84 WeakPolarHBondContact O-CG2 3.31Å; R80-V84 PolarHBondContact O-N 2.98Å; A81-V84 PolarHBondContact O-N 3.13Å; V84-A86 VanDerWaalsContact C-N 3.32Å; V84-A86 PolarHBondContact O-N 2.91Å; V84-I87 PolarHBondContact O-N 3.26Å; V84-L88 HydrophobicContact CG1-CD1 4.27Å; V84-L88 WeakPolarHBondContact O-CG 3.47Å; V84-L88 PolarHBondContact O-N 3.28Å
85	V	95.8	Very high	91.8	Very high	78 Å²	78	45.2 Å²	45.2	47%	0.473	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-42.2	175.3	173.9	0	0	0	0	110.9	A81 I83 I87 L88 L89 L130	A81-V85 WeakPolarHBondContact O-CB 3.39Å; A81-V85 VanDerWaalsContact O-CG2 3.22Å; A81-V85 WeakPolarHBondContact O-CG2 3.38Å; A81-V85 PolarHBondContact O-N 3.4Å; I83-V85 VanDerWaalsContact C-N 3.33Å; I83-V85 PolarHBondContact O-N 3.44Å; V85-I87 PolarHBondContact O-N 3.47Å; V85-L88 PolarHBondContact O-N 3.43Å; V85-L89 VanDerWaalsContact O-CB 3.31Å; V85-L89 WeakPolarHBondContact O-CB 3.38Å; V85-L89 PolarHBondContact O-N 2.83Å; V85-L130 HydrophobicContact CG1-CD1 4.22Å
86	A	96.1	Very high	92.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-41.8	176.7	0	0	0	0	0	112.9	L82 I83 V84 L89 A90 L130 T131	L82-A86 WeakPolarHBondContact O-CB 3.31Å; L82-A86 PolarHBondContact O-N 2.99Å; I83-A86 WeakPolarHBondContact O-CB 3.39Å; I83-A86 PolarHBondContact O-N 3.44Å; V84-A86 VanDerWaalsContact C-N 3.32Å; V84-A86 PolarHBondContact O-N 2.91Å; A86-L89 PolarHBondContact O-N 3.43Å; A86-A90 VanDerWaalsContact O-CB 3.31Å; A86-A90 WeakPolarHBondContact O-CB 3.09Å; A86-A90 PolarHBondContact O-N 2.88Å; A86-L130 HydrophobicContact CB-CB 3.71Å; A86-T131 HydrophobicContact CB-CG2 3.39Å
87	I	96.6	Very high	93.1	Very high	28 Å²	28	43.5 Å²	43.5	14%	0.144	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-44.3	176.8	-70.4	166.4	0	0	0	110.5	W17 I21 C24 I83 V84 V85 A91	W17-I87 PolarHBondContact NE1-O 2.99Å; W17-I87 VanDerWaalsContact NE1-O 3.15Å; I21-I87 HydrophobicContact CG1-CD1 4.22Å; I21-I87 HydrophobicContact CG1-CG1 4.29Å; I21-I87 HydrophobicContact CG1-CG2 4Å; C24-I87 HydrophobicContact CB-CD1 3.85Å; I83-I87 HydrophobicContact CG2-CD1 3.76Å; I83-I87 HydrophobicContact CG2-CG1 4.35Å; I83-I87 VanDerWaalsContact O-CG1 3.3Å; I83-I87 WeakPolarHBondContact O-CG1 3.3Å; I83-I87 PolarHBondContact O-N 3.23Å; V84-I87 PolarHBondContact O-N 3.26Å; V85-I87 PolarHBondContact O-N 3.47Å; I87-A91 WeakPolarHBondContact O-CB 3.48Å; I87-A91 PolarHBondContact O-N 3.49Å
88	L	97.1	Very high	93.3	Very high	115 Å²	115	44.2 Å²	44.2	60%	0.602	25%	0.253	S	S	*	.	H	α-helix	trans	-65.6	-42.2	177.5	-68.1	175.6	0	0	0	111.7	V84 V85 A91 F92	V84-L88 HydrophobicContact CG1-CD1 4.27Å; V84-L88 WeakPolarHBondContact O-CG 3.47Å; V84-L88 PolarHBondContact O-N 3.28Å; V85-L88 PolarHBondContact O-N 3.43Å; L88-A91 PolarHBondContact O-N 3.47Å; L88-F92 PolarHBondContact O-N 3.49Å
89	L	96.5	Very high	93.4	Very high	44 Å²	44	44.6 Å²	44.6	23%	0.23	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-41.9	178.4	-168.3	67.6	0	0	0	111.7	V85 A86 F92 G93 L123 L126 A127 L130	V85-L89 VanDerWaalsContact O-CB 3.31Å; V85-L89 WeakPolarHBondContact O-CB 3.38Å; V85-L89 PolarHBondContact O-N 2.83Å; A86-L89 PolarHBondContact O-N 3.43Å; L89-F92 PolarHBondContact O-N 2.96Å; L89-G93 PolarHBondContact O-N 3.3Å; L89-L123 HydrophobicContact CD1-CD2 3.76Å; L89-L123 HydrophobicContact CG-CD2 4.34Å; L89-L126 HydrophobicContact CD2-CB 3.76Å; L89-A127 HydrophobicContact CB-CB 4.29Å; L89-A127 HydrophobicContact CD2-CB 4.3Å; L89-A127 HydrophobicContact CG-CB 4.44Å; L89-L130 HydrophobicContact CD2-CD1 3.88Å
90	A	96.3	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.8	-37.3	174.3	0	0	0	0	0	112.4	W17 A86 F92 G93 L94 F124 A127 Q173	W17-A90 HydrophobicContact CB-CB 4.48Å; W17-A90 VanDerWaalsContact CD1-CB 3.4Å; W17-A90 HydrophobicContact CG-CB 4.16Å; A86-A90 VanDerWaalsContact O-CB 3.31Å; A86-A90 WeakPolarHBondContact O-CB 3.09Å; A86-A90 PolarHBondContact O-N 2.88Å; A90-F92 VanDerWaalsContact C-N 3.34Å; A90-G93 PolarHBondContact O-N 2.92Å; A90-L94 WeakPolarHBondContact O-CB 3.1Å; A90-L94 PolarHBondContact O-N 3.23Å; A90-F124 HydrophobicContact CB-CD1 4.24Å; A90-F124 HydrophobicContact CB-CE1 4.2Å; A90-F124 WeakPolarHBondContact O-CE1 3.45Å; A90-A127 HydrophobicContact CB-CB 3.79Å; A90-Q173 VanDerWaalsContact CB-NE2 3.35Å
91	A	96.6	Very high	92.6	Very high	29 Å²	29	45 Å²	45	24%	0.24	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-42.7	173.5	0	0	0	0	0	111.2	W17 I87 L88 L94 L95	W17-A91 HydrophobicContact CZ2-CB 3.99Å; I87-A91 WeakPolarHBondContact O-CB 3.48Å; I87-A91 PolarHBondContact O-N 3.49Å; L88-A91 PolarHBondContact O-N 3.47Å; A91-L94 WeakPolarHBondContact O-CB 3.27Å; A91-L94 PolarHBondContact O-N 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.48Å; A91-L95 PolarHBondContact O-N 3.43Å; A91-L95 VanDerWaalsContact O-N 3.08Å
92	F	96.3	Very high	91.5	Very high	119 Å²	119	45.6 Å²	45.6	52%	0.522	25%	0.25	S	C	.	.	H	α-helix	trans	-63.3	-44.6	173.3	-172.9	-105.3	0	0	0	111.7	L88 L89 A90 L94 L95 V96 L123	L88-F92 PolarHBondContact O-N 3.49Å; L89-F92 PolarHBondContact O-N 2.96Å; A90-F92 VanDerWaalsContact C-N 3.34Å; F92-L94 VanDerWaalsContact C-N 3.26Å; F92-L94 PolarHBondContact O-N 3.24Å; F92-L95 PolarHBondContact O-N 3.46Å; F92-V96 HydrophobicContact CD1-CG2 4.21Å; F92-V96 HydrophobicContact CE1-CG2 3.88Å; F92-V96 HydrophobicContact CZ-CG2 4.12Å; F92-V96 WeakPolarHBondContact O-CG2 3.33Å; F92-V96 PolarHBondContact O-N 3.21Å; F92-L123 HydrophobicContact CD1-CD1 3.68Å; F92-L123 HydrophobicContact CD1-CD2 4.39Å; F92-L123 HydrophobicContact CE1-CD1 3.96Å
93	G	94.8	Very high	90.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-37.8	173.8	0	0	0	0	0	113.2	L89 A90 V96 A97	L89-G93 PolarHBondContact O-N 3.3Å; A90-G93 PolarHBondContact O-N 2.92Å; G93-V96 PolarHBondContact O-N 2.94Å; G93-A97 WeakPolarHBondContact O-CB 3.39Å; G93-A97 PolarHBondContact O-N 2.96Å
94	L	94.4	Very high	89.2	Confident	34 Å²	34	50.4 Å²	50.4	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-43.9	175.8	-176	141.6	0	0	0	112.3	V14 W17 A90 A91 F92 V96 A97 L98 F124	V14-L94 HydrophobicContact CG2-CD1 3.62Å; W17-L94 HydrophobicContact CE3-CD1 4.24Å; A90-L94 WeakPolarHBondContact O-CB 3.1Å; A90-L94 PolarHBondContact O-N 3.23Å; A91-L94 WeakPolarHBondContact O-CB 3.27Å; A91-L94 PolarHBondContact O-N 3.39Å; F92-L94 VanDerWaalsContact C-N 3.26Å; F92-L94 PolarHBondContact O-N 3.24Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 3.33Å; L94-A97 WeakPolarHBondContact O-CB 3.34Å; L94-A97 PolarHBondContact O-N 3.45Å; L94-L98 HydrophobicContact CD2-CD1 3.77Å; L94-L98 HydrophobicContact CD2-CG 4.36Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 2.86Å; L94-F124 HydrophobicContact CB-CE1 4.46Å; L94-F124 HydrophobicContact CB-CZ 3.88Å
95	L	93.2	Very high	87.9	Confident	104 Å²	104	54 Å²	54	55%	0.545	30%	0.303	S	S	.	.	H	α-helix	trans	-60.1	-43.6	174.4	-66	174.8	0	0	0	111.3	A91 F92 L98 V99	A91-L95 WeakPolarHBondContact O-CG 3.48Å; A91-L95 PolarHBondContact O-N 3.43Å; A91-L95 VanDerWaalsContact O-N 3.08Å; F92-L95 PolarHBondContact O-N 3.46Å; L95-L98 PolarHBondContact O-N 2.05Å; L95-V99 WeakPolarHBondContact O-CG2 3.48Å; L95-V99 PolarHBondContact O-N 2.96Å
96	V	91.9	Very high	86.8	Confident	26 Å²	26	54.7 Å²	54.7	16%	0.158	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-41.9	176	179.1	0	0	0	0	110.8	F92 G93 L94 L98 V99 G100 I116 V119 A120 L123	F92-V96 HydrophobicContact CD1-CG2 4.21Å; F92-V96 HydrophobicContact CE1-CG2 3.88Å; F92-V96 HydrophobicContact CZ-CG2 4.12Å; F92-V96 WeakPolarHBondContact O-CG2 3.33Å; F92-V96 PolarHBondContact O-N 3.21Å; G93-V96 PolarHBondContact O-N 2.94Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 3.33Å; V96-L98 VanDerWaalsContact C-N 3.35Å; V96-L98 PolarHBondContact O-N 3.2Å; V96-V99 PolarHBondContact O-N 2.96Å; V96-G100 PolarHBondContact O-N 3.46Å; V96-I116 HydrophobicContact CG1-CG2 3.67Å; V96-I116 VanDerWaalsContact O-CG2 3.31Å; V96-I116 WeakPolarHBondContact O-CG2 3.36Å; V96-V119 HydrophobicContact CG1-CG1 4.39Å; V96-A120 HydrophobicContact CB-CB 4.19Å; V96-A120 HydrophobicContact CG1-CB 3.96Å; V96-L123 HydrophobicContact CG2-CD1 4.16Å
97	A	89.8	Confident	85.8	Confident	8 Å²	8	56.1 Å²	56.1	7%	0.066	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-39.8	176.5	0	0	0	0	0	112.6	T10 G93 L94 G100 A101 A120 F124	T10-A97 HydrophobicContact CG2-CB 4.19Å; G93-A97 WeakPolarHBondContact O-CB 3.39Å; G93-A97 PolarHBondContact O-N 2.96Å; L94-A97 WeakPolarHBondContact O-CB 3.34Å; L94-A97 PolarHBondContact O-N 3.45Å; A97-G100 PolarHBondContact O-N 3.38Å; A97-A101 PolarHBondContact O-N 2.96Å; A97-A120 HydrophobicContact CB-CB 3.84Å; A97-F124 HydrophobicContact CB-CE2 4.29Å
98	L	88.4	Confident	84.8	Confident	99 Å²	99	62.8 Å²	62.8	52%	0.518	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-37.5	177.5	-70.7	173.8	0	0	0	112.4	L94 L95 V96 T104	L94-L98 HydrophobicContact CD2-CD1 3.77Å; L94-L98 HydrophobicContact CD2-CG 4.36Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 2.86Å; L95-L98 PolarHBondContact O-N 2.05Å; V96-L98 VanDerWaalsContact C-N 3.35Å; V96-L98 PolarHBondContact O-N 3.2Å; L98-T104 WeakPolarHBondContact O-CB 3.29Å; L98-T104 PolarHBondContact O-OG1 3.18Å
99	V	86.8	Confident	84	Confident	62 Å²	62	61.2 Å²	61.2	38%	0.376	34%	0.341	S	S	.	.	H	α-helix	trans	-69.9	-35.7	175	175.7	0	0	0	0	111.3	L95 V96 C106 V107	L95-V99 WeakPolarHBondContact O-CG2 3.48Å; L95-V99 PolarHBondContact O-N 2.96Å; V96-V99 PolarHBondContact O-N 2.96Å; V99-C106 HydrophobicContact CG1-CB 4.4Å; V99-V107 HydrophobicContact CG1-CG2 4.39Å
100	G	80.8	Confident	83.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-79.2	-11.9	177.9	0	0	0	0	0	115	V96 A97 T117	V96-G100 PolarHBondContact O-N 3.46Å; A97-G100 PolarHBondContact O-N 3.38Å; G100-T117 WeakPolarHBondContact O-CG2 3.17Å
101	A	80.3	Confident	82.4	Confident	27 Å²	27	67.6 Å²	67.6	22%	0.223	38%	0.378	C	S	.	.	S	Bend	trans	-65.8	142.5	-175.7	0	0	0	0	0	112.5	A97 C103 T104	A97-A101 PolarHBondContact O-N 2.96Å; A101-C103 PolarHBondContact O-N 2.87Å; A101-T104 PolarHBondContact O-N 3.44Å
102	Q	68.3	Low	81.8	Confident	70 Å²	70	67.5 Å²	67.5	33%	0.327	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.5	178.9	-66	-171.8	-2.8	0	0	113.5	M3 E6 T104	M3-Q102 HydrophobicContact CE-CB 4.47Å; M3-Q102 VanDerWaalsContact CE-OE1 3.24Å; E6-Q102 WeakPolarHBondContact OE2-CG 3.47Å; E6-Q102 PolarHBondContact OE2-NE2 3.27Å; Q102-T104 PolarHBondContact O-N 3.16Å
103	C	65.8	Low	81.3	Confident	119 Å²	119	62.9 Å²	62.9	80%	0.804	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.8	177.8	-55	0	0	0	0	113.5	A101	A101-C103 PolarHBondContact O-N 2.87Å
104	T	71.6	Confident	80.8	Confident	42 Å²	42	63 Å²	63	26%	0.258	36%	0.358	S	S	.	.			trans	-104.9	122.8	-175.6	-53.4	0	0	0	0	110.3	L98 A101 Q102 C106	L98-T104 WeakPolarHBondContact O-CB 3.29Å; L98-T104 PolarHBondContact O-OG1 3.18Å; A101-T104 PolarHBondContact O-N 3.44Å; Q102-T104 PolarHBondContact O-N 3.16Å; T104-C106 VanDerWaalsContact C-N 3.26Å; T104-C106 HydrophobicContact CG2-CB 3.9Å; T104-C106 WeakPolarHBondContact CG2-SG 3.32Å; T104-C106 PolarHBondContact O-N 2.89Å
105	N	68.1	Low	80.4	Confident	128 Å²	128	68.3 Å²	68.3	68%	0.684	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	25.4	179.9	-157	-3.6	0	0	0	113.3	V107	N105-V107 VanDerWaalsContact C-N 3.32Å
106	C	73	Confident	80.3	Confident	93 Å²	93	65.3 Å²	65.3	63%	0.628	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.7	178.8	-70.2	0	0	0	0	112.7	V99 T104	V99-C106 HydrophobicContact CG1-CB 4.4Å; T104-C106 VanDerWaalsContact C-N 3.26Å; T104-C106 HydrophobicContact CG2-CB 3.9Å; T104-C106 WeakPolarHBondContact CG2-SG 3.32Å; T104-C106 PolarHBondContact O-N 2.89Å
107	V	75.8	Confident	80.2	Confident	32 Å²	32	64.2 Å²	64.2	19%	0.194	36%	0.357	C	S	.	.			trans	-129.5	131	178.6	179.1	0	0	0	0	107.4	V99 N105 D109 A112 K113 I116	V99-V107 HydrophobicContact CG1-CG2 4.39Å; N105-V107 VanDerWaalsContact C-N 3.32Å; V107-D109 HydrophobicContact CG1-CB 4.45Å; V107-A112 HydrophobicContact CG1-CB 3.75Å; V107-K113 HydrophobicContact CB-CG 4.26Å; V107-K113 HydrophobicContact CG1-CG 4.2Å; V107-K113 WeakPolarHBondContact O-CE 3.46Å; V107-K113 PolarHBondContact O-NZ 3.5Å; V107-I116 HydrophobicContact CG2-CD1 4.03Å
108	Q	74.6	Confident	80.3	Confident	168 Å²	168	66.6 Å²	66.6	79%	0.785	37%	0.368	S	S	*	.			trans	-96.5	-18.4	179.4	-72.6	171.8	-5.8	0	0	112.8
109	D	80.4	Confident	80.5	Confident	81 Å²	81	65.7 Å²	65.7	43%	0.433	37%	0.367	S	S	.	.			trans	-83.4	116.1	178.7	177.8	11.8	0	0	0	111.5	V107 T111 A112 K113	V107-D109 HydrophobicContact CG1-CB 4.45Å; D109-T111 VanDerWaalsContact CG-OG1 3.25Å; D109-T111 PolarHBondContact O-N 3.31Å; D109-T111 PolarHBondContact OD1-N 2.84Å; D109-T111 PolarHBondContact OD1-OG1 2.95Å; D109-T111 PolarHBondContact OD2-OG1 3.38Å; D109-A112 HydrophobicContact CB-CB 3.96Å; D109-A112 PolarHBondContact O-N 3.28Å; D109-K113 PolarHBondContact O-N 3.36Å
110	D	79	Confident	80.9	Confident	111 Å²	111	62.7 Å²	62.7	59%	0.594	35%	0.349	S	S	*	.	H	α-helix	trans	-63.8	-28.3	179.3	-71.8	-32.7	0	0	0	113	A114	D110-A114 PolarHBondContact O-N 2.9Å; D110-A114 VanDerWaalsContact O-N 3.13Å
111	T	81.4	Confident	81.5	Confident	67 Å²	67	62.7 Å²	62.7	41%	0.411	35%	0.349	S	S	.	.	H	α-helix	trans	-74.4	-36.9	177.4	71.5	0	0	0	0	111.4	D109 A114 K115	D109-T111 VanDerWaalsContact CG-OG1 3.25Å; D109-T111 PolarHBondContact O-N 3.31Å; D109-T111 PolarHBondContact OD1-N 2.84Å; D109-T111 PolarHBondContact OD1-OG1 2.95Å; D109-T111 PolarHBondContact OD2-OG1 3.38Å; T111-A114 PolarHBondContact O-N 3.3Å; T111-K115 WeakPolarHBondContact O-CG 3.36Å; T111-K115 PolarHBondContact O-N 2.86Å
112	A	84.4	Confident	82.3	Confident	28 Å²	28	64.6 Å²	64.6	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-43.1	172.5	0	0	0	0	0	111.1	V107 D109 A114 K115 I116	V107-A112 HydrophobicContact CG1-CB 3.75Å; D109-A112 HydrophobicContact CB-CB 3.96Å; D109-A112 PolarHBondContact O-N 3.28Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 2.91Å; A112-K115 PolarHBondContact O-N 2.96Å; A112-I116 WeakPolarHBondContact O-CD1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.33Å; A112-I116 PolarHBondContact O-N 3.45Å
113	K	83.7	Confident	83.6	Confident	22 Å²	22	62.4 Å²	62.4	10%	0.096	35%	0.348	C	S	.	.	H	α-helix	trans	-55.3	-47	173.8	-72.3	-175.5	-175.4	178	0	112.2	M1 V107 D109 K115 I116 T117	M1-K113 HydrophobicContact CE-CB 4.21Å; V107-K113 HydrophobicContact CB-CG 4.26Å; V107-K113 HydrophobicContact CG1-CG 4.2Å; V107-K113 WeakPolarHBondContact O-CE 3.46Å; V107-K113 PolarHBondContact O-NZ 3.5Å; D109-K113 PolarHBondContact O-N 3.36Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K113-K115 PolarHBondContact O-N 3.5Å; K113-I116 PolarHBondContact O-N 3.38Å; K113-T117 PolarHBondContact O-N 3.36Å; K113-T117 PolarHBondContact O-OG1 2.88Å
114	A	84.7	Confident	85.1	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-39.9	178.1	0	0	0	0	0	113.2	M1 D110 T111 A112 T117 I118 P185	M1-A114 HydrophobicContact CE-CB 3.65Å; M1-A114 WeakPolarHBondContact SD-CA 3.38Å; M1-A114 HydrophobicContact SD-CB 3.55Å; M1-A114 VanDerWaalsContact SD-CB 3.55Å; D110-A114 PolarHBondContact O-N 2.9Å; D110-A114 VanDerWaalsContact O-N 3.13Å; T111-A114 PolarHBondContact O-N 3.3Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 2.91Å; A114-T117 WeakPolarHBondContact CA-OG1 3.28Å; A114-T117 PolarHBondContact O-OG1 3.2Å; A114-I118 WeakPolarHBondContact O-CD1 3.44Å; A114-I118 WeakPolarHBondContact O-CG1 3.47Å; A114-I118 PolarHBondContact O-N 3.4Å; A114-I118 VanDerWaalsContact O-N 3.16Å; A114-P185 HydrophobicContact CB-CB 3.85Å; A114-P185 HydrophobicContact CB-CG 4.15Å
115	K	87.5	Confident	86.3	Confident	146 Å²	146	57.3 Å²	57.3	64%	0.635	31%	0.311	S	S	*	.	H	α-helix	trans	-67.7	-41.6	176.5	-70.3	175.7	-177.9	176.4	0	111.3	T111 A112 K113 I118 V119	T111-K115 WeakPolarHBondContact O-CG 3.36Å; T111-K115 PolarHBondContact O-N 2.86Å; A112-K115 PolarHBondContact O-N 2.96Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K113-K115 PolarHBondContact O-N 3.5Å; K115-I118 PolarHBondContact O-N 3.11Å; K115-V119 VanDerWaalsContact O-CG2 3.29Å; K115-V119 WeakPolarHBondContact O-CG2 3.33Å; K115-V119 PolarHBondContact O-N 3.35Å
116	I	90.3	Very high	87.7	Confident	41 Å²	41	55.4 Å²	55.4	21%	0.21	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-43.3	179	-67.4	165	0	0	0	110.8	V96 V107 A112 K113 V119 A120	V96-I116 HydrophobicContact CG1-CG2 3.67Å; V96-I116 VanDerWaalsContact O-CG2 3.31Å; V96-I116 WeakPolarHBondContact O-CG2 3.36Å; V107-I116 HydrophobicContact CG2-CD1 4.03Å; A112-I116 WeakPolarHBondContact O-CD1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.33Å; A112-I116 PolarHBondContact O-N 3.45Å; K113-I116 PolarHBondContact O-N 3.38Å; I116-V119 PolarHBondContact O-N 2.97Å; I116-A120 PolarHBondContact O-N 3.5Å
117	T	90.4	Very high	88.8	Confident	4 Å²	4	51 Å²	51	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-38.3	177.7	50.6	0	0	0	0	112.4	G100 K113 A114 A120 G121	G100-T117 WeakPolarHBondContact O-CG2 3.17Å; K113-T117 PolarHBondContact O-N 3.36Å; K113-T117 PolarHBondContact O-OG1 2.88Å; A114-T117 WeakPolarHBondContact CA-OG1 3.28Å; A114-T117 PolarHBondContact O-OG1 3.2Å; T117-A120 PolarHBondContact O-N 2.58Å; T117-G121 PolarHBondContact O-N 3.01Å
118	I	90.8	Very high	89.8	Confident	58 Å²	58	49.4 Å²	49.4	30%	0.297	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-44.9	172.4	-67.7	165.3	0	0	0	110.9	A114 K115 A120 G121 V122	A114-I118 WeakPolarHBondContact O-CD1 3.44Å; A114-I118 WeakPolarHBondContact O-CG1 3.47Å; A114-I118 PolarHBondContact O-N 3.4Å; A114-I118 VanDerWaalsContact O-N 3.16Å; K115-I118 PolarHBondContact O-N 3.11Å; I118-A120 VanDerWaalsContact C-N 3.32Å; I118-A120 PolarHBondContact O-N 3.4Å; I118-G121 PolarHBondContact O-N 2.88Å; I118-G121 VanDerWaalsContact O-N 3.15Å; I118-V122 WeakPolarHBondContact O-CG2 3.09Å; I118-V122 PolarHBondContact O-N 3.24Å
119	V	93.4	Very high	90.9	Very high	79 Å²	79	46.1 Å²	46.1	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-43.2	176.9	171	0	0	0	0	110.9	V96 K115 I116 G121 V122 L123	V96-V119 HydrophobicContact CG1-CG1 4.39Å; K115-V119 VanDerWaalsContact O-CG2 3.29Å; K115-V119 WeakPolarHBondContact O-CG2 3.33Å; K115-V119 PolarHBondContact O-N 3.35Å; I116-V119 PolarHBondContact O-N 2.97Å; V119-G121 VanDerWaalsContact C-N 3.33Å; V119-G121 PolarHBondContact O-N 3.24Å; V119-V122 PolarHBondContact O-N 3.42Å; V119-L123 HydrophobicContact CG1-CD1 4.21Å; V119-L123 WeakPolarHBondContact O-CG 3.48Å; V119-L123 PolarHBondContact O-N 2.68Å
120	A	94.1	Very high	91.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-43.6	173.9	0	0	0	0	0	112.1	V96 A97 I116 T117 I118 V122 L123 F124	V96-A120 HydrophobicContact CB-CB 4.19Å; V96-A120 HydrophobicContact CG1-CB 3.96Å; A97-A120 HydrophobicContact CB-CB 3.84Å; I116-A120 PolarHBondContact O-N 3.5Å; T117-A120 PolarHBondContact O-N 2.58Å; I118-A120 VanDerWaalsContact C-N 3.32Å; I118-A120 PolarHBondContact O-N 3.4Å; A120-V122 PolarHBondContact O-N 2.94Å; A120-L123 PolarHBondContact O-N 3.29Å; A120-F124 WeakPolarHBondContact O-CD2 3.41Å; A120-F124 PolarHBondContact O-N 3.45Å
121	G	94.3	Very high	92.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-45.5	175.4	0	0	0	0	0	112.8	T117 I118 V119 L123 F124 L125 C181	T117-G121 PolarHBondContact O-N 3.01Å; I118-G121 PolarHBondContact O-N 2.88Å; I118-G121 VanDerWaalsContact O-N 3.15Å; V119-G121 VanDerWaalsContact C-N 3.33Å; V119-G121 PolarHBondContact O-N 3.24Å; G121-L123 PolarHBondContact O-N 3.49Å; G121-F124 PolarHBondContact O-N 3.02Å; G121-L125 WeakPolarHBondContact O-CG 3.18Å; G121-L125 PolarHBondContact O-N 2.91Å; G121-C181 VanDerWaalsContact C-SG 3.56Å
122	V	96.1	Very high	93.1	Very high	66 Å²	66	38.9 Å²	38.9	40%	0.4	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-41.8	176.5	174.6	0	0	0	0	111.5	I118 V119 A120 F124 L125 L126	I118-V122 WeakPolarHBondContact O-CG2 3.09Å; I118-V122 PolarHBondContact O-N 3.24Å; V119-V122 PolarHBondContact O-N 3.42Å; A120-V122 PolarHBondContact O-N 2.94Å; V122-F124 VanDerWaalsContact C-N 3.33Å; V122-F124 PolarHBondContact O-N 2.98Å; V122-L125 PolarHBondContact O-N 2.92Å; V122-L126 HydrophobicContact CG1-CD1 4.2Å; V122-L126 HydrophobicContact CG1-CG 4.44Å; V122-L126 WeakPolarHBondContact O-CG 3.41Å; V122-L126 PolarHBondContact O-N 3.36Å
123	L	96.5	Very high	93.6	Very high	24 Å²	24	41.2 Å²	41.2	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-41.5	176.2	-70.6	168.1	0	0	0	111.8	L89 F92 V96 V119 A120 G121 L126 A127	L89-L123 HydrophobicContact CD1-CD2 3.76Å; L89-L123 HydrophobicContact CG-CD2 4.34Å; F92-L123 HydrophobicContact CD1-CD1 3.68Å; F92-L123 HydrophobicContact CD1-CD2 4.39Å; F92-L123 HydrophobicContact CE1-CD1 3.96Å; V96-L123 HydrophobicContact CG2-CD1 4.16Å; V119-L123 HydrophobicContact CG1-CD1 4.21Å; V119-L123 WeakPolarHBondContact O-CG 3.48Å; V119-L123 PolarHBondContact O-N 2.68Å; A120-L123 PolarHBondContact O-N 3.29Å; G121-L123 PolarHBondContact O-N 3.49Å; L123-L126 PolarHBondContact O-N 3.39Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 2.87Å
124	F	96.9	Very high	94.1	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-38.6	174.6	-76.2	-59.6	0	0	0	112.9	A13 A90 L94 A97 A120 G121 V122 A127 A128 L180	A13-F124 HydrophobicContact CB-CD1 3.88Å; A13-F124 HydrophobicContact CB-CD2 3.86Å; A13-F124 HydrophobicContact CB-CE1 3.83Å; A13-F124 HydrophobicContact CB-CE2 3.81Å; A13-F124 HydrophobicContact CB-CG 3.89Å; A13-F124 HydrophobicContact CB-CZ 3.78Å; A90-F124 HydrophobicContact CB-CD1 4.24Å; A90-F124 HydrophobicContact CB-CE1 4.2Å; A90-F124 WeakPolarHBondContact O-CE1 3.45Å; L94-F124 HydrophobicContact CB-CE1 4.46Å; L94-F124 HydrophobicContact CB-CZ 3.88Å; A97-F124 HydrophobicContact CB-CE2 4.29Å; A120-F124 WeakPolarHBondContact O-CD2 3.41Å; A120-F124 PolarHBondContact O-N 3.45Å; G121-F124 PolarHBondContact O-N 3.02Å; V122-F124 VanDerWaalsContact C-N 3.33Å; V122-F124 PolarHBondContact O-N 2.98Å; F124-A127 PolarHBondContact O-N 3.18Å; F124-A128 WeakPolarHBondContact O-CB 2.91Å; F124-A128 PolarHBondContact O-N 3.16Å; F124-L180 HydrophobicContact CD2-CD1 3.86Å; F124-L180 HydrophobicContact CE2-CD1 4.1Å
125	L	97.1	Very high	94.5	Very high	52 Å²	52	40.3 Å²	40.3	27%	0.272	21%	0.214	S	C	.	.	H	α-helix	trans	-62.7	-43.9	175	-70.2	175.2	0	0	0	111.8	G121 V122 A128 L129 L174 A178	G121-L125 WeakPolarHBondContact O-CG 3.18Å; G121-L125 PolarHBondContact O-N 2.91Å; V122-L125 PolarHBondContact O-N 2.92Å; L125-A128 PolarHBondContact O-N 2.98Å; L125-L129 PolarHBondContact O-N 3.23Å; L125-L174 HydrophobicContact CD2-CD2 3.75Å; L125-L174 WeakPolarHBondContact CD2-O 3.2Å; L125-A178 HydrophobicContact CD2-CB 4.46Å
126	L	97.1	Very high	94.9	Very high	87 Å²	87	35.3 Å²	35.3	46%	0.455	20%	0.197	S	C	.	.	H	α-helix	trans	-64.7	-43.1	176.3	-69.8	175.2	0	0	0	111.6	L89 V122 L123 A128 L129 L130	L89-L126 HydrophobicContact CD2-CB 3.76Å; V122-L126 HydrophobicContact CG1-CD1 4.2Å; V122-L126 HydrophobicContact CG1-CG 4.44Å; V122-L126 WeakPolarHBondContact O-CG 3.41Å; V122-L126 PolarHBondContact O-N 3.36Å; L123-L126 PolarHBondContact O-N 3.39Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 3.31Å; L126-L129 PolarHBondContact O-N 2.99Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.34Å
127	A	97	Very high	95	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-42.2	175.8	0	0	0	0	0	111.7	L89 A90 L123 F124 L129 L130 T131	L89-A127 HydrophobicContact CB-CB 4.29Å; L89-A127 HydrophobicContact CD2-CB 4.3Å; L89-A127 HydrophobicContact CG-CB 4.44Å; A90-A127 HydrophobicContact CB-CB 3.79Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 2.87Å; F124-A127 PolarHBondContact O-N 3.18Å; A127-L129 PolarHBondContact O-N 3.47Å; A127-L130 PolarHBondContact O-N 3.02Å; A127-T131 WeakPolarHBondContact O-CG2 3.37Å; A127-T131 PolarHBondContact O-N 2.87Å
128	A	97.3	Very high	95	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-43.7	177.4	0	0	0	0	0	111.6	F124 L125 L126 L130 T131 L132 Q173 L174	F124-A128 WeakPolarHBondContact O-CB 2.91Å; F124-A128 PolarHBondContact O-N 3.16Å; L125-A128 PolarHBondContact O-N 2.98Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 3.31Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 2.76Å; A128-T131 PolarHBondContact O-N 3.48Å; A128-T131 VanDerWaalsContact O-N 3.16Å; A128-T131 PolarHBondContact O-OG1 3.46Å; A128-L132 WeakPolarHBondContact O-CB 3.5Å; A128-L132 PolarHBondContact O-N 2.93Å; A128-Q173 HydrophobicContact CB-CB 3.72Å; A128-L174 HydrophobicContact CB-CB 4.4Å; A128-L174 HydrophobicContact CB-CD2 3.88Å; A128-L174 HydrophobicContact CB-CG 3.62Å
129	L	96.7	Very high	95.1	Very high	98 Å²	98	37.5 Å²	37.5	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-60.1	-44.7	174.9	-168.5	77.5	0	0	0	111.4	L125 L126 A127 T131 L132 V133	L125-L129 PolarHBondContact O-N 3.23Å; L126-L129 PolarHBondContact O-N 2.99Å; A127-L129 PolarHBondContact O-N 3.47Å; L129-T131 PolarHBondContact O-N 3.38Å; L129-L132 PolarHBondContact O-N 2.85Å; L129-V133 WeakPolarHBondContact O-CG2 3.37Å; L129-V133 PolarHBondContact O-N 3.24Å
130	L	95.2	Very high	95.1	Very high	49 Å²	49	36.3 Å²	36.3	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-65.2	-23.8	177.5	-72.7	169.2	0	0	0	113.4	L82 V85 A86 L89 L126 A127 A128 P134	L82-L130 HydrophobicContact CD2-CD2 4.04Å; V85-L130 HydrophobicContact CG1-CD1 4.22Å; A86-L130 HydrophobicContact CB-CB 3.71Å; L89-L130 HydrophobicContact CD2-CD1 3.88Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.34Å; A127-L130 PolarHBondContact O-N 3.02Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-L130 PolarHBondContact O-N 2.76Å; L130-P134 WeakPolarHBondContact O-CD 3.24Å; L130-P134 WeakPolarHBondContact O-CG 3.46Å
131	T	95.6	Very high	94.9	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-83.7	-36.8	169.6	61.3	0	0	0	0	113.3	T20 A86 A127 A128 L129 P134 V135 A170	T20-T131 HydrophobicContact CG2-CG2 3.52Å; A86-T131 HydrophobicContact CB-CG2 3.39Å; A127-T131 WeakPolarHBondContact O-CG2 3.37Å; A127-T131 PolarHBondContact O-N 2.87Å; A128-T131 PolarHBondContact O-N 3.48Å; A128-T131 VanDerWaalsContact O-N 3.16Å; A128-T131 PolarHBondContact O-OG1 3.46Å; L129-T131 PolarHBondContact O-N 3.38Å; T131-P134 WeakPolarHBondContact O-CD 3.4Å; T131-P134 WeakPolarHBondContact O-CG 3.33Å; T131-V135 WeakPolarHBondContact O-CB 3.39Å; T131-V135 WeakPolarHBondContact O-CG2 3.42Å; T131-V135 PolarHBondContact O-N 2.85Å; T131-A170 WeakPolarHBondContact OG1-CB 3.27Å
132	L	96.1	Very high	94.6	Very high	56 Å²	56	37.7 Å²	37.7	29%	0.293	20%	0.199	S	C	.	.	H	α-helix	trans	-67.2	-39.6	-177.8	-172.3	65.5	0	0	0	112.1	A128 L129 S136 A170	A128-L132 WeakPolarHBondContact O-CB 3.5Å; A128-L132 PolarHBondContact O-N 2.93Å; L129-L132 PolarHBondContact O-N 2.85Å; L132-S136 WeakPolarHBondContact O-CB 3.22Å; L132-S136 PolarHBondContact O-N 2.84Å; L132-S136 PolarHBondContact O-OG 2.98Å; L132-A170 HydrophobicContact CB-CB 4.19Å; L132-A170 HydrophobicContact CD1-CB 4.21Å
133	V	95	Very high	94.4	Very high	78 Å²	78	37.9 Å²	37.9	47%	0.473	20%	0.197	S	C	.	.	H	α-helix	trans	-58.2	-58.7	-179.7	170.5	0	0	0	0	112.3	L82 L129 V135 S136 W137	L82-V133 HydrophobicContact CD1-CG1 4.45Å; L129-V133 WeakPolarHBondContact O-CG2 3.37Å; L129-V133 PolarHBondContact O-N 3.24Å; V133-V135 PolarHBondContact O-N 2.79Å; V133-S136 PolarHBondContact O-N 3.33Å; V133-W137 WeakPolarHBondContact O-CB 3.15Å; V133-W137 PolarHBondContact O-N 3.38Å
134	P	93.4	Very high	94.1	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-35.2	-177.9	26.3	-35.5	0	0	0	113.3	A79 L82 I83 L130 T131 S138	A79-P134 HydrophobicContact CB-CB 3.82Å; L82-P134 HydrophobicContact CB-CB 4.23Å; L82-P134 HydrophobicContact CB-CG 3.88Å; L82-P134 HydrophobicContact CD1-CB 4.1Å; L82-P134 HydrophobicContact CD1-CG 4.34Å; I83-P134 HydrophobicContact CD1-CG 4.36Å; I83-P134 HydrophobicContact CG1-CG 3.84Å; L130-P134 WeakPolarHBondContact O-CD 3.24Å; L130-P134 WeakPolarHBondContact O-CG 3.46Å; T131-P134 WeakPolarHBondContact O-CD 3.4Å; T131-P134 WeakPolarHBondContact O-CG 3.33Å; P134-S138 VanDerWaalsContact O-CB 3.24Å; P134-S138 WeakPolarHBondContact O-CB 3.29Å; P134-S138 PolarHBondContact O-N 2.85Å; P134-S138 PolarHBondContact O-OG 3.44Å
135	V	94.6	Very high	93.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-48.2	176.8	174.4	0	0	0	0	110.4	W29 I83 T131 V133 S138 A139 L163 W167	W29-V135 HydrophobicContact CH2-CG2 3.9Å; W29-V135 HydrophobicContact CZ2-CG2 4.49Å; I83-V135 HydrophobicContact CD1-CG2 4.44Å; T131-V135 WeakPolarHBondContact O-CB 3.39Å; T131-V135 WeakPolarHBondContact O-CG2 3.42Å; T131-V135 PolarHBondContact O-N 2.85Å; V133-V135 PolarHBondContact O-N 2.79Å; V135-S138 PolarHBondContact O-N 3.42Å; V135-A139 PolarHBondContact O-N 3.16Å; V135-L163 HydrophobicContact CG1-CB 4.23Å; V135-L163 HydrophobicContact CG1-CD2 3.99Å; V135-L163 WeakPolarHBondContact CG1-O 3.39Å; V135-W167 HydrophobicContact CG1-CD2 4.49Å; V135-W167 HydrophobicContact CG1-CG 4.12Å
136	S	94.6	Very high	93	Very high	41 Å²	41	49 Å²	49	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-72.1	-35.5	-179	-51.3	0	0	0	0	112.1	L132 V133 A139 N140 W167	L132-S136 WeakPolarHBondContact O-CB 3.22Å; L132-S136 PolarHBondContact O-N 2.84Å; L132-S136 PolarHBondContact O-OG 2.98Å; V133-S136 PolarHBondContact O-N 3.33Å; S136-A139 PolarHBondContact O-N 3.45Å; S136-N140 WeakPolarHBondContact O-CB 3.28Å; S136-N140 PolarHBondContact O-N 3.31Å; S136-W167 PolarHBondContact OG-NE1 3.43Å; S136-W167 VanDerWaalsContact OG-NE1 3.08Å
137	W	93.5	Very high	92.6	Very high	143 Å²	143	53.5 Å²	53.5	54%	0.542	25%	0.25	S	S	.	.	H	α-helix	trans	-61.4	-49.6	172.4	-173.3	-94	0	0	0	110.8	D75 V133 A139 N140 T141	D75-W137 PolarHBondContact OD1-NE1 2.85Å; V133-W137 WeakPolarHBondContact O-CB 3.15Å; V133-W137 PolarHBondContact O-N 3.38Å; W137-A139 VanDerWaalsContact C-N 3.34Å; W137-A139 PolarHBondContact O-N 2.91Å; W137-N140 PolarHBondContact O-N 3.21Å; W137-N140 VanDerWaalsContact O-N 3.1Å; W137-T141 WeakPolarHBondContact O-CG2 3.29Å; W137-T141 PolarHBondContact O-N 3.42Å
138	S	91	Very high	92.2	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-46.6	177.5	-61.1	0	0	0	0	111.2	W29 P134 V135 N140 T141 I142	W29-S138 WeakPolarHBondContact CZ3-OG 3.24Å; P134-S138 VanDerWaalsContact O-CB 3.24Å; P134-S138 WeakPolarHBondContact O-CB 3.29Å; P134-S138 PolarHBondContact O-N 2.85Å; P134-S138 PolarHBondContact O-OG 3.44Å; V135-S138 PolarHBondContact O-N 3.42Å; S138-N140 PolarHBondContact O-N 3.19Å; S138-T141 PolarHBondContact O-N 3.32Å; S138-T141 PolarHBondContact O-OG1 2.96Å; S138-I142 VanDerWaalsContact O-CG1 3.29Å; S138-I142 WeakPolarHBondContact O-CG1 3.46Å; S138-I142 PolarHBondContact O-N 3.14Å; S138-I142 VanDerWaalsContact O-N 3.08Å
139	A	92	Very high	91.6	Very high	3 Å²	3	62.4 Å²	62.4	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-45.9	174.5	0	0	0	0	0	112.2	V135 S136 W137 T141 I142 I143 M159 L163 W167	V135-A139 PolarHBondContact O-N 3.16Å; S136-A139 PolarHBondContact O-N 3.45Å; W137-A139 VanDerWaalsContact C-N 3.34Å; W137-A139 PolarHBondContact O-N 2.91Å; A139-T141 PolarHBondContact O-N 3.48Å; A139-I142 PolarHBondContact O-N 3.33Å; A139-I143 VanDerWaalsContact O-CG1 3.28Å; A139-I143 WeakPolarHBondContact O-CG1 3.48Å; A139-I143 PolarHBondContact O-N 2.93Å; A139-M159 HydrophobicContact CB-CE 4.45Å; A139-M159 HydrophobicContact CB-SD 4.46Å; A139-L163 HydrophobicContact CB-CD1 4.35Å; A139-W167 HydrophobicContact CB-CH2 4.16Å; A139-W167 HydrophobicContact CB-CZ2 3.84Å
140	N	92.6	Very high	91.2	Very high	54 Å²	54	63.5 Å²	63.5	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-38.7	177.4	171.7	68.4	0	0	0	112.5	S136 W137 S138 I142 I143 R144	S136-N140 WeakPolarHBondContact O-CB 3.28Å; S136-N140 PolarHBondContact O-N 3.31Å; W137-N140 PolarHBondContact O-N 3.21Å; W137-N140 VanDerWaalsContact O-N 3.1Å; S138-N140 PolarHBondContact O-N 3.19Å; N140-I142 VanDerWaalsContact C-N 3.35Å; N140-I143 PolarHBondContact O-N 3.46Å; N140-R144 PolarHBondContact ND2-NE 3.3Å; N140-R144 WeakPolarHBondContact O-CB 3.39Å; N140-R144 VanDerWaalsContact O-CG 3.27Å; N140-R144 WeakPolarHBondContact O-CG 3.47Å; N140-R144 PolarHBondContact O-N 3.32Å; N140-R144 PolarHBondContact OD1-NE 2.83Å
141	T	90.1	Very high	90.6	Very high	26 Å²	26	62.1 Å²	62.1	16%	0.16	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-40.4	174.7	67.2	0	0	0	0	112.1	W137 S138 A139 R144 E145	W137-T141 WeakPolarHBondContact O-CG2 3.29Å; W137-T141 PolarHBondContact O-N 3.42Å; S138-T141 PolarHBondContact O-N 3.32Å; S138-T141 PolarHBondContact O-OG1 2.96Å; A139-T141 PolarHBondContact O-N 3.48Å; T141-R144 PolarHBondContact O-N 3.36Å; T141-E145 WeakPolarHBondContact O-CB 3.24Å; T141-E145 PolarHBondContact O-N 2.99Å
142	I	89.2	Confident	89.8	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-45.9	177.8	-64.6	164.4	0	0	0	110.5	R30 S138 A139 N140 R144 E145 F146 R157 M159 L163	R30-I142 HydrophobicContact CB-CD1 4.41Å; R30-I142 HydrophobicContact CG-CD1 3.91Å; R30-I142 HydrophobicContact CG-CG1 4.32Å; S138-I142 VanDerWaalsContact O-CG1 3.29Å; S138-I142 WeakPolarHBondContact O-CG1 3.46Å; S138-I142 PolarHBondContact O-N 3.14Å; S138-I142 VanDerWaalsContact O-N 3.08Å; A139-I142 PolarHBondContact O-N 3.33Å; N140-I142 VanDerWaalsContact C-N 3.35Å; I142-R144 PolarHBondContact O-N 3.13Å; I142-E145 PolarHBondContact O-N 2.96Å; I142-F146 PolarHBondContact O-N 2.94Å; I142-R157 HydrophobicContact CG2-CB 4.12Å; I142-R157 VanDerWaalsContact CG2-O 3.3Å; I142-R157 WeakPolarHBondContact CG2-O 3.47Å; I142-M159 HydrophobicContact CG2-CG 4.27Å; I142-L163 HydrophobicContact CD1-CD1 3.72Å
143	I	90.9	Very high	88.7	Confident	69 Å²	69	69.9 Å²	69.9	35%	0.354	35%	0.35	S	S	.	.	H	α-helix	trans	-60.8	-46.8	177.9	-65.2	163.8	0	0	0	110.7	A139 N140 E145 F146 Y147 M159	A139-I143 VanDerWaalsContact O-CG1 3.28Å; A139-I143 WeakPolarHBondContact O-CG1 3.48Å; A139-I143 PolarHBondContact O-N 2.93Å; N140-I143 PolarHBondContact O-N 3.46Å; I143-E145 VanDerWaalsContact C-N 3.29Å; I143-E145 PolarHBondContact O-N 3.44Å; I143-F146 WeakPolarHBondContact O-CB 3.18Å; I143-F146 PolarHBondContact O-N 3.24Å; I143-Y147 HydrophobicContact CG2-CD2 3.79Å; I143-Y147 HydrophobicContact CG2-CE2 3.73Å; I143-Y147 VanDerWaalsContact O-CD2 3.24Å; I143-Y147 WeakPolarHBondContact O-CD2 3.19Å; I143-Y147 PolarHBondContact O-N 3.43Å; I143-M159 HydrophobicContact CD1-CE 3.41Å; I143-M159 VanDerWaalsContact CD1-CE 3.41Å; I143-M159 HydrophobicContact CG1-CE 3.29Å
144	R	89.9	Confident	87.6	Confident	172 Å²	172	67.8 Å²	67.8	65%	0.649	34%	0.341	S	S	*	.	H	α-helix	trans	-60.5	-41.3	179.1	-75.4	175.8	179.2	-130.8	-0.2	111.9	N140 T141 I142 F146 Y147 N148	N140-R144 PolarHBondContact ND2-NE 3.3Å; N140-R144 WeakPolarHBondContact O-CB 3.39Å; N140-R144 VanDerWaalsContact O-CG 3.27Å; N140-R144 WeakPolarHBondContact O-CG 3.47Å; N140-R144 PolarHBondContact O-N 3.32Å; N140-R144 PolarHBondContact OD1-NE 2.83Å; T141-R144 PolarHBondContact O-N 3.36Å; I142-R144 PolarHBondContact O-N 3.13Å; R144-F146 VanDerWaalsContact C-N 3.34Å; R144-Y147 PolarHBondContact O-N 3.22Å; R144-N148 PolarHBondContact O-N 3.01Å
145	E	86.2	Confident	86.6	Confident	56 Å²	56	72.3 Å²	72.3	26%	0.262	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-38.6	176.9	-166.4	75	157	0	0	111.8	T141 I142 I143 Y147 N148 V151 R157	T141-E145 WeakPolarHBondContact O-CB 3.24Å; T141-E145 PolarHBondContact O-N 2.99Å; I142-E145 PolarHBondContact O-N 2.96Å; I143-E145 VanDerWaalsContact C-N 3.29Å; I143-E145 PolarHBondContact O-N 3.44Å; E145-Y147 VanDerWaalsContact C-N 3.31Å; E145-Y147 PolarHBondContact O-N 2.97Å; E145-N148 WeakPolarHBondContact O-CB 3.33Å; E145-N148 PolarHBondContact O-N 3.06Å; E145-V151 HydrophobicContact CG-CG1 4.47Å; E145-V151 HydrophobicContact CG-CG2 4.03Å; E145-R157 HydrophobicContact CG-CG 4.43Å; E145-R157 IonicContact OE1-NH1 2.75Å; E145-R157 PolarHBondContact OE1-NH1 2.77Å
146	F	86.1	Confident	85.9	Confident	85 Å²	85	74.9 Å²	74.9	37%	0.373	37%	0.373	S	S	.	.	H	α-helix	trans	-62.6	-36.6	178.5	-169.3	-89	0	0	0	112.9	I142 I143 R144 K156	I142-F146 PolarHBondContact O-N 2.94Å; I143-F146 WeakPolarHBondContact O-CB 3.18Å; I143-F146 PolarHBondContact O-N 3.24Å; R144-F146 VanDerWaalsContact C-N 3.34Å; F146-K156 HydrophobicContact CD2-CB 4Å; F146-K156 HydrophobicContact CD2-CD 4.17Å; F146-K156 HydrophobicContact CD2-CG 4.24Å; F146-K156 HydrophobicContact CE2-CB 4.14Å; F146-K156 HydrophobicContact CE2-CD 3.9Å; F146-K156 HydrophobicContact CE2-CG 4.4Å; F146-K156 HydrophobicContact CZ-CD 4.29Å
147	Y	87.1	Confident	85.4	Confident	181 Å²	181	76.1 Å²	76.1	71%	0.71	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.2	178	-70.3	-68.3	0	0	0	114.2	I143 R144 E145 P149	I143-Y147 HydrophobicContact CG2-CD2 3.79Å; I143-Y147 HydrophobicContact CG2-CE2 3.73Å; I143-Y147 VanDerWaalsContact O-CD2 3.24Å; I143-Y147 WeakPolarHBondContact O-CD2 3.19Å; I143-Y147 PolarHBondContact O-N 3.43Å; R144-Y147 PolarHBondContact O-N 3.22Å; E145-Y147 VanDerWaalsContact C-N 3.31Å; E145-Y147 PolarHBondContact O-N 2.97Å; Y147-P149 WeakPolarHBondContact O-CD 3.46Å
148	N	88.4	Confident	85.2	Confident	60 Å²	60	74.7 Å²	74.7	32%	0.321	37%	0.371	S	S	.	.			trans	-77.4	117.7	-179.1	-174.5	-10.7	0	0	0	110.3	R144 E145 V150 V151	R144-N148 PolarHBondContact O-N 3.01Å; E145-N148 WeakPolarHBondContact O-CB 3.33Å; E145-N148 PolarHBondContact O-N 3.06Å; N148-V150 PolarHBondContact O-N 2.96Å; N148-V150 VanDerWaalsContact O-N 3.12Å; N148-V150 WeakPolarHBondContact OD1-CB 3.44Å; N148-V150 WeakPolarHBondContact OD1-CG2 3.45Å; N148-V150 PolarHBondContact OD1-N 2.72Å; N148-V150 VanDerWaalsContact OD1-N 3.09Å; N148-V151 HydrophobicContact CB-CG2 3.87Å; N148-V151 PolarHBondContact O-N 2.92Å; N148-V151 VanDerWaalsContact O-N 3.13Å
149	P	86.2	Confident	85.1	Confident	127 Å²	127	77.1 Å²	77.1	83%	0.825	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.6	-176.9	29.4	-36.7	0	0	0	113.6	Y147 V151	Y147-P149 WeakPolarHBondContact O-CD 3.46Å; P149-V151 VanDerWaalsContact C-N 3.32Å
150	V	88.6	Confident	85	Confident	121 Å²	121	77 Å²	77	73%	0.733	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.5	178.1	-172.1	0	0	0	0	111.6	N148 P152	N148-V150 PolarHBondContact O-N 2.96Å; N148-V150 VanDerWaalsContact O-N 3.12Å; N148-V150 WeakPolarHBondContact OD1-CB 3.44Å; N148-V150 WeakPolarHBondContact OD1-CG2 3.45Å; N148-V150 PolarHBondContact OD1-N 2.72Å; N148-V150 VanDerWaalsContact OD1-N 3.09Å; V150-P152 WeakPolarHBondContact O-CD 3.35Å
151	V	81.4	Confident	85	Confident	20 Å²	20	77.7 Å²	77.7	12%	0.121	39%	0.387	C	S	.	.	S	Bend	trans	-89	121.2	-177.2	-178.1	0	0	0	0	109.9	E145 N148 P149 Q155	E145-V151 HydrophobicContact CG-CG1 4.47Å; E145-V151 HydrophobicContact CG-CG2 4.03Å; N148-V151 HydrophobicContact CB-CG2 3.87Å; N148-V151 PolarHBondContact O-N 2.92Å; N148-V151 VanDerWaalsContact O-N 3.13Å; P149-V151 VanDerWaalsContact C-N 3.32Å; V151-Q155 HydrophobicContact CG1-CB 4Å
152	P	79.6	Confident	85.1	Confident	70 Å²	70	76.4 Å²	76.4	46%	0.455	38%	0.38	S	S	.	.			trans	-59.2	147.6	174.8	-21.3	31.8	0	0	0	111.8	V150 A154 Q155 K156	V150-P152 WeakPolarHBondContact O-CD 3.35Å; P152-A154 PolarHBondContact O-N 3.44Å; P152-A154 VanDerWaalsContact O-N 3.14Å; P152-Q155 PolarHBondContact O-N 2.92Å; P152-K156 PolarHBondContact O-N 2.72Å
153	E	73	Confident	85.3	Confident	151 Å²	151	76.3 Å²	76.3	71%	0.706	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-57.2	-34.6	-179.6	-59.1	-144.2	121.1	0	0	113.1	Q155 K156	E153-Q155 PolarHBondContact O-N 3.47Å; E153-K156 HydrophobicContact CB-CD 4.48Å; E153-K156 WeakPolarHBondContact O-CB 3.05Å; E153-K156 PolarHBondContact O-N 3.05Å; E153-K156 IonicContact OE1-NZ 2.97Å; E153-K156 PolarHBondContact OE1-NZ 2.88Å
154	A	70.6	Confident	85.6	Confident	35 Å²	35	79 Å²	79	29%	0.289	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-69.5	-7.6	177.1	0	0	0	0	0	114.4	F34 P152	F34-A154 WeakPolarHBondContact CD1-O 3.31Å; P152-A154 PolarHBondContact O-N 3.44Å; P152-A154 VanDerWaalsContact O-N 3.14Å
155	Q	74.1	Confident	85.9	Confident	99 Å²	99	73.2 Å²	73.2	46%	0.463	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-115.4	5.8	177.6	-71.8	-174	-40.8	0	0	112.9	F34 V151 P152 E153 R157	F34-Q155 HydrophobicContact CE1-CG 3.81Å; V151-Q155 HydrophobicContact CG1-CB 4Å; P152-Q155 PolarHBondContact O-N 2.92Å; E153-Q155 PolarHBondContact O-N 3.47Å; Q155-R157 PolarHBondContact O-N 2.84Å
156	K	79.6	Confident	86.3	Confident	54 Å²	54	70.6 Å²	70.6	24%	0.235	36%	0.358	C	S	.	.			trans	-60.7	132.5	176.3	-76.2	176.2	177.2	172	0	109.8	F146 P152 E153	F146-K156 HydrophobicContact CD2-CB 4Å; F146-K156 HydrophobicContact CD2-CD 4.17Å; F146-K156 HydrophobicContact CD2-CG 4.24Å; F146-K156 HydrophobicContact CE2-CB 4.14Å; F146-K156 HydrophobicContact CE2-CD 3.9Å; F146-K156 HydrophobicContact CE2-CG 4.4Å; F146-K156 HydrophobicContact CZ-CD 4.29Å; P152-K156 PolarHBondContact O-N 2.72Å; E153-K156 HydrophobicContact CB-CD 4.48Å; E153-K156 WeakPolarHBondContact O-CB 3.05Å; E153-K156 PolarHBondContact O-N 3.05Å; E153-K156 IonicContact OE1-NZ 2.97Å; E153-K156 PolarHBondContact OE1-NZ 2.88Å
157	R	83.7	Confident	86.9	Confident	67 Å²	67	71 Å²	71	25%	0.253	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.4	-179.3	-52.3	-166.4	163.2	119.3	-9.9	109.7	R30 T32 I142 E145 Q155	R30-R157 VanDerWaalsContact CZ-CD 3.43Å; T32-R157 HydrophobicContact CG2-CB 4.08Å; T32-R157 HydrophobicContact CG2-CG 3.61Å; I142-R157 HydrophobicContact CG2-CB 4.12Å; I142-R157 VanDerWaalsContact CG2-O 3.3Å; I142-R157 WeakPolarHBondContact CG2-O 3.47Å; E145-R157 HydrophobicContact CG-CG 4.43Å; E145-R157 IonicContact OE1-NH1 2.75Å; E145-R157 PolarHBondContact OE1-NH1 2.77Å; Q155-R157 PolarHBondContact O-N 2.84Å
158	E	88.7	Confident	87.4	Confident	113 Å²	113	65 Å²	65	53%	0.528	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	156.7	175.9	-63.4	-176.8	173.3	0	0	110.7	V31 G160	V31-E158 HydrophobicContact CB-CB 4.35Å; V31-E158 PolarHBondContact N-O 2.78Å; V31-E158 PolarHBondContact O-N 2.86Å; E158-G160 PolarHBondContact O-N 2.82Å
159	M	88.8	Confident	87.8	Confident	54 Å²	54	62.2 Å²	62.2	27%	0.266	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	125.8	176.3	-65.1	-176.3	-164	0	0	109.9	A139 I142 I143 L163	A139-M159 HydrophobicContact CB-CE 4.45Å; A139-M159 HydrophobicContact CB-SD 4.46Å; I142-M159 HydrophobicContact CG2-CG 4.27Å; I143-M159 HydrophobicContact CD1-CE 3.41Å; I143-M159 VanDerWaalsContact CD1-CE 3.41Å; I143-M159 HydrophobicContact CG1-CE 3.29Å; M159-L163 HydrophobicContact CB-CD1 4.18Å; M159-L163 HydrophobicContact CG-CD1 4.39Å
160	G	90.4	Very high	88.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.			trans	-77.6	156.2	174.7	0	0	0	0	0	112.7	M28 W29 E158 S162 L163	M28-G160 CarbonylContact O-C 3.59Å; M28-G160 WeakPolarHBondContact O-CA 3.26Å; W29-G160 PolarHBondContact O-N 2.84Å; E158-G160 PolarHBondContact O-N 2.82Å; G160-S162 PolarHBondContact O-N 3.42Å; G160-L163 WeakPolarHBondContact O-CB 3.38Å; G160-L163 PolarHBondContact O-N 3.34Å; G160-L163 VanDerWaalsContact O-N 3.13Å
161	T	92.5	Very high	88.7	Confident	68 Å²	68	52.6 Å²	52.6	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-26.5	-176.7	52.3	0	0	0	0	113.6	M28 L163 Y164 V165	M28-T161 WeakPolarHBondContact CB-OG1 3.33Å; M28-T161 WeakPolarHBondContact CE-OG1 3.37Å; M28-T161 PolarHBondContact O-N 3.17Å; M28-T161 VanDerWaalsContact O-N 3.15Å; M28-T161 PolarHBondContact SD-OG1 2.94Å; T161-L163 PolarHBondContact O-N 2.91Å; T161-Y164 PolarHBondContact O-N 3.21Å; T161-V165 PolarHBondContact O-N 3.38Å
162	S	93	Very high	89.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-26.4	178.3	75	0	0	0	0	112.4	C23 M28 W29 G160 V165 G166	C23-S162 PolarHBondContact SG-O 3.15Å; M28-S162 VanDerWaalsContact C-OG 3.24Å; M28-S162 WeakPolarHBondContact O-CB 3.44Å; M28-S162 PolarHBondContact O-N 2.99Å; M28-S162 PolarHBondContact O-OG 3.13Å; W29-S162 VanDerWaalsContact CA-OG 3.24Å; W29-S162 WeakPolarHBondContact CA-OG 3.29Å; W29-S162 VanDerWaalsContact CG-OG 3.28Å; W29-S162 PolarHBondContact N-OG 2.98Å; W29-S162 PolarHBondContact NE1-OG 3.08Å; G160-S162 PolarHBondContact O-N 3.42Å; S162-V165 PolarHBondContact O-N 2.97Å; S162-G166 PolarHBondContact O-N 3.31Å
163	L	93.6	Very high	90.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-40.5	177.8	-63.9	177.8	0	0	0	111.2	W29 V135 A139 I142 M159 G160 T161 G166 W167	W29-L163 HydrophobicContact CD2-CD2 4.19Å; W29-L163 HydrophobicContact CE3-CD2 3.7Å; W29-L163 HydrophobicContact CH2-CD2 4.45Å; W29-L163 HydrophobicContact CZ3-CD2 3.86Å; W29-L163 WeakPolarHBondContact O-CD1 3.42Å; V135-L163 HydrophobicContact CG1-CB 4.23Å; V135-L163 HydrophobicContact CG1-CD2 3.99Å; V135-L163 WeakPolarHBondContact CG1-O 3.39Å; A139-L163 HydrophobicContact CB-CD1 4.35Å; I142-L163 HydrophobicContact CD1-CD1 3.72Å; M159-L163 HydrophobicContact CB-CD1 4.18Å; M159-L163 HydrophobicContact CG-CD1 4.39Å; G160-L163 WeakPolarHBondContact O-CB 3.38Å; G160-L163 PolarHBondContact O-N 3.34Å; G160-L163 VanDerWaalsContact O-N 3.13Å; T161-L163 PolarHBondContact O-N 2.91Å; L163-G166 PolarHBondContact O-N 2.97Å; L163-W167 PolarHBondContact O-N 3.06Å
164	Y	95.6	Very high	91.4	Very high	125 Å²	125	46.9 Å²	46.9	49%	0.49	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-41.1	174.8	-57.5	-61.9	0	0	0	111.6	T161 G166 W167 A168	T161-Y164 PolarHBondContact O-N 3.21Å; Y164-G166 VanDerWaalsContact C-N 3.29Å; Y164-G166 PolarHBondContact O-N 3.34Å; Y164-W167 HydrophobicContact CD1-CE3 4.04Å; Y164-W167 AromaticContact CD1-CZ3 4Å; Y164-W167 HydrophobicContact CD1-CZ3 4Å; Y164-W167 HydrophobicContact CE1-CZ3 4.06Å; Y164-W167 PolarHBondContact O-N 2.73Å; Y164-A168 PolarHBondContact O-N 3.1Å
165	V	95.8	Very high	92.6	Very high	51 Å²	51	50.2 Å²	50.2	31%	0.309	26%	0.256	S	S	.	.	H	α-helix	trans	-61	-41.4	173.3	178.9	0	0	0	0	110.4	V22 C23 T161 S162 A168 A169	V22-V165 HydrophobicContact CG1-CG1 4.37Å; C23-V165 HydrophobicContact CB-CG1 4.3Å; T161-V165 PolarHBondContact O-N 3.38Å; S162-V165 PolarHBondContact O-N 2.97Å; V165-A168 PolarHBondContact O-N 2.93Å; V165-A169 WeakPolarHBondContact O-CB 3.37Å; V165-A169 PolarHBondContact O-N 3.08Å
166	G	96	Very high	93.6	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-44	176.7	0	0	0	0	0	113.1	S162 L163 Y164 A169 A170	S162-G166 PolarHBondContact O-N 3.31Å; L163-G166 PolarHBondContact O-N 2.97Å; Y164-G166 VanDerWaalsContact C-N 3.29Å; Y164-G166 PolarHBondContact O-N 3.34Å; G166-A169 PolarHBondContact O-N 2.96Å; G166-A170 WeakPolarHBondContact O-CB 3.36Å; G166-A170 PolarHBondContact O-N 2.97Å
167	W	97.6	Very high	94.3	Very high	92 Å²	92	43 Å²	43	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-44.5	174.5	-76.6	-25.8	0	0	0	112.9	V135 S136 A139 L163 Y164 A169 A170 A171	V135-W167 HydrophobicContact CG1-CD2 4.49Å; V135-W167 HydrophobicContact CG1-CG 4.12Å; S136-W167 PolarHBondContact OG-NE1 3.43Å; S136-W167 VanDerWaalsContact OG-NE1 3.08Å; A139-W167 HydrophobicContact CB-CH2 4.16Å; A139-W167 HydrophobicContact CB-CZ2 3.84Å; L163-W167 PolarHBondContact O-N 3.06Å; Y164-W167 HydrophobicContact CD1-CE3 4.04Å; Y164-W167 AromaticContact CD1-CZ3 4Å; Y164-W167 HydrophobicContact CD1-CZ3 4Å; Y164-W167 HydrophobicContact CE1-CZ3 4.06Å; Y164-W167 PolarHBondContact O-N 2.73Å; W167-A169 VanDerWaalsContact C-N 3.33Å; W167-A169 PolarHBondContact O-N 3.24Å; W167-A170 PolarHBondContact O-N 3.4Å; W167-A171 WeakPolarHBondContact O-CB 3.3Å; W167-A171 PolarHBondContact O-N 3.35Å
168	A	97.4	Very high	94.8	Very high	55 Å²	55	41.6 Å²	41.6	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-44.4	176.2	0	0	0	0	0	111.1	Y164 V165 A171 L172	Y164-A168 PolarHBondContact O-N 3.1Å; V165-A168 PolarHBondContact O-N 2.93Å; A168-A171 PolarHBondContact O-N 3.1Å; A168-L172 VanDerWaalsContact O-CG 3.28Å; A168-L172 WeakPolarHBondContact O-CG 3.44Å; A168-L172 PolarHBondContact O-N 3.33Å
169	A	96.9	Very high	95	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-45.5	178.4	0	0	0	0	0	112.3	G16 T20 V165 G166 W167 A171 L172 Q173	G16-A169 WeakPolarHBondContact CA-O 3.4Å; G16-A169 WeakPolarHBondContact O-CB 3.34Å; T20-A169 HydrophobicContact CG2-CB 3.7Å; V165-A169 WeakPolarHBondContact O-CB 3.37Å; V165-A169 PolarHBondContact O-N 3.08Å; G166-A169 PolarHBondContact O-N 2.96Å; W167-A169 VanDerWaalsContact C-N 3.33Å; W167-A169 PolarHBondContact O-N 3.24Å; A169-A171 PolarHBondContact O-N 3.42Å; A169-L172 PolarHBondContact O-N 2.88Å; A169-Q173 PolarHBondContact O-N 2.86Å
170	A	96.9	Very high	95.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-41.6	175.9	0	0	0	0	0	111.8	T131 L132 G166 W167 Q173 L174	T131-A170 WeakPolarHBondContact OG1-CB 3.27Å; L132-A170 HydrophobicContact CB-CB 4.19Å; L132-A170 HydrophobicContact CD1-CB 4.21Å; G166-A170 WeakPolarHBondContact O-CB 3.36Å; G166-A170 PolarHBondContact O-N 2.97Å; W167-A170 PolarHBondContact O-N 3.4Å; A170-Q173 PolarHBondContact O-N 3.47Å; A170-L174 WeakPolarHBondContact O-CB 3.44Å; A170-L174 WeakPolarHBondContact O-CG 3.29Å; A170-L174 PolarHBondContact O-N 3.41Å
171	A	97.6	Very high	95	Very high	46 Å²	46	37.8 Å²	37.8	38%	0.38	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-44	176.6	0	0	0	0	0	111.9	W167 A168 A169 L174 L175	W167-A171 WeakPolarHBondContact O-CB 3.3Å; W167-A171 PolarHBondContact O-N 3.35Å; A168-A171 PolarHBondContact O-N 3.1Å; A169-A171 PolarHBondContact O-N 3.42Å; A171-L174 PolarHBondContact O-N 2.76Å; A171-L175 WeakPolarHBondContact O-CB 3.48Å; A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 3.5Å; A171-L175 PolarHBondContact O-N 3.03Å
172	L	96.9	Very high	94.7	Very high	58 Å²	58	38.6 Å²	38.6	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-42.7	176.5	-70.2	171.8	0	0	0	111.9	L12 L15 A168 A169 L175 G176	L12-L172 HydrophobicContact CD2-CD2 3.67Å; L15-L172 HydrophobicContact CB-CD1 4.39Å; A168-L172 VanDerWaalsContact O-CG 3.28Å; A168-L172 WeakPolarHBondContact O-CG 3.44Å; A168-L172 PolarHBondContact O-N 3.33Å; A169-L172 PolarHBondContact O-N 2.88Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-G176 PolarHBondContact O-N 2.79Å
173	Q	96.1	Very high	93.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-38.2	174.6	-90.4	173	-26.5	0	0	112.9	W17 A90 A128 A169 A170 G177	W17-Q173 VanDerWaalsContact CA-NE2 3.3Å; A90-Q173 VanDerWaalsContact CB-NE2 3.35Å; A128-Q173 HydrophobicContact CB-CB 3.72Å; A169-Q173 PolarHBondContact O-N 2.86Å; A170-Q173 PolarHBondContact O-N 3.47Å; Q173-G177 PolarHBondContact O-N 3.26Å
174	L	96.7	Very high	92.2	Very high	62 Å²	62	43.1 Å²	43.1	33%	0.325	25%	0.25	S	S	.	.	H	α-helix	trans	-61.4	-48.5	174.4	-84.2	172.2	0	0	0	111.2	L125 A128 A170 A171 A178	L125-L174 HydrophobicContact CD2-CD2 3.75Å; L125-L174 WeakPolarHBondContact CD2-O 3.2Å; A128-L174 HydrophobicContact CB-CB 4.4Å; A128-L174 HydrophobicContact CB-CD2 3.88Å; A128-L174 HydrophobicContact CB-CG 3.62Å; A170-L174 WeakPolarHBondContact O-CB 3.44Å; A170-L174 WeakPolarHBondContact O-CG 3.29Å; A170-L174 PolarHBondContact O-N 3.41Å; A171-L174 PolarHBondContact O-N 2.76Å; L174-A178 VanDerWaalsContact O-CB 3.24Å; L174-A178 WeakPolarHBondContact O-CB 3.28Å; L174-A178 PolarHBondContact O-N 3.33Å
175	L	96.3	Very high	90.4	Very high	105 Å²	105	40.3 Å²	40.3	55%	0.55	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-44.9	178.6	-69.1	172.6	0	0	0	111.2	A171 L172 A178 L179	A171-L175 WeakPolarHBondContact O-CB 3.48Å; A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 3.5Å; A171-L175 PolarHBondContact O-N 3.03Å; L172-L175 PolarHBondContact O-N 2.94Å; L175-A178 PolarHBondContact O-N 3.36Å; L175-L179 VanDerWaalsContact O-CG 3.29Å; L175-L179 WeakPolarHBondContact O-CG 3.45Å; L175-L179 PolarHBondContact O-N 3.44Å
176	G	94.9	Very high	88.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-48.3	176.2	0	0	0	0	0	112.5	G9 L172 A178 L179 L180	G9-G176 VanDerWaalsContact O-CA 3.25Å; G9-G176 WeakPolarHBondContact O-CA 3.47Å; L172-G176 PolarHBondContact O-N 2.79Å; G176-A178 PolarHBondContact O-N 3Å; G176-L179 PolarHBondContact O-N 3.22Å; G176-L180 VanDerWaalsContact O-CG 3.32Å; G176-L180 WeakPolarHBondContact O-CG 3.24Å; G176-L180 PolarHBondContact O-N 3.44Å; G176-L180 VanDerWaalsContact O-N 3.11Å
177	G	94.4	Very high	86.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-41.9	176.3	0	0	0	0	0	112.9	Q173 L180 C181	Q173-G177 PolarHBondContact O-N 3.26Å; G177-L180 PolarHBondContact O-N 2.89Å; G177-C181 PolarHBondContact O-N 2.87Å; G177-C181 PolarHBondContact O-SG 3.07Å
178	A	94.4	Very high	83.8	Confident	39 Å²	39	57.7 Å²	57.7	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-42.6	177	0	0	0	0	0	112.2	L125 L174 L175 G176 L180 C181 C182	L125-A178 HydrophobicContact CD2-CB 4.46Å; L174-A178 VanDerWaalsContact O-CB 3.24Å; L174-A178 WeakPolarHBondContact O-CB 3.28Å; L174-A178 PolarHBondContact O-N 3.33Å; L175-A178 PolarHBondContact O-N 3.36Å; G176-A178 PolarHBondContact O-N 3Å; A178-L180 VanDerWaalsContact C-N 3.32Å; A178-L180 PolarHBondContact O-N 2.97Å; A178-C181 PolarHBondContact O-N 3.25Å; A178-C182 WeakPolarHBondContact O-CB 3.44Å; A178-C182 PolarHBondContact O-N 3.19Å; A178-C182 PolarHBondContact O-SG 2.89Å
179	L	92.9	Very high	81.2	Confident	50 Å²	50	64 Å²	64	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-37.9	176.5	-70.1	173.3	0	0	0	112.1	L5 T8 L12 L175 G176 C182 S183	L5-L179 HydrophobicContact CD1-CD2 3.89Å; L5-L179 HydrophobicContact CG-CB 4.4Å; L5-L179 HydrophobicContact CG-CD2 4.15Å; T8-L179 HydrophobicContact CG2-CD1 4.39Å; L12-L179 HydrophobicContact CD1-CD1 3.73Å; L175-L179 VanDerWaalsContact O-CG 3.29Å; L175-L179 WeakPolarHBondContact O-CG 3.45Å; L175-L179 PolarHBondContact O-N 3.44Å; G176-L179 PolarHBondContact O-N 3.22Å; L179-C182 PolarHBondContact O-N 3.19Å; L179-S183 PolarHBondContact O-N 3.26Å; L179-S183 PolarHBondContact O-OG 3.45Å
180	L	90.5	Very high	78.4	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-66.6	-41.7	174.7	-67.5	172.2	0	0	0	111.7	T10 F124 G176 G177 A178 C182 S183	T10-L180 HydrophobicContact CG2-CD1 4.36Å; T10-L180 HydrophobicContact CG2-CD2 3.91Å; F124-L180 HydrophobicContact CD2-CD1 3.86Å; F124-L180 HydrophobicContact CE2-CD1 4.1Å; G176-L180 VanDerWaalsContact O-CG 3.32Å; G176-L180 WeakPolarHBondContact O-CG 3.24Å; G176-L180 PolarHBondContact O-N 3.44Å; G176-L180 VanDerWaalsContact O-N 3.11Å; G177-L180 PolarHBondContact O-N 2.89Å; A178-L180 VanDerWaalsContact C-N 3.32Å; A178-L180 PolarHBondContact O-N 2.97Å; L180-C182 VanDerWaalsContact C-N 3.34Å; L180-C182 PolarHBondContact O-N 3.45Å; L180-S183 WeakPolarHBondContact O-CB 3.44Å; L180-S183 PolarHBondContact O-N 3.18Å
181	C	89.4	Confident	75.7	Confident	34 Å²	34	83.2 Å²	83.2	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-65.5	-35.6	174.2	-69.6	0	0	0	0	113	G121 G177 A178 S183	G121-C181 VanDerWaalsContact C-SG 3.56Å; G177-C181 PolarHBondContact O-N 2.87Å; G177-C181 PolarHBondContact O-SG 3.07Å; A178-C181 PolarHBondContact O-N 3.25Å; C181-S183 PolarHBondContact O-N 3.03Å
182	C	84.8	Confident	73.2	Confident	86 Å²	86	89.1 Å²	89.1	58%	0.581	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.1	178.8	-70.5	0	0	0	0	113.6	A178 L179 L180 C184	A178-C182 WeakPolarHBondContact O-CB 3.44Å; A178-C182 PolarHBondContact O-N 3.19Å; A178-C182 PolarHBondContact O-SG 2.89Å; L179-C182 PolarHBondContact O-N 3.19Å; L180-C182 VanDerWaalsContact C-N 3.34Å; L180-C182 PolarHBondContact O-N 3.45Å; C182-C184 PolarHBondContact O-N 2.96Å
183	S	71.9	Confident	70.7	Confident	4 Å²	4	91.9 Å²	91.9	3%	0.028	47%	0.466	C	S	.	.			trans	-74.4	64.5	174.4	-63.8	0	0	0	0	110.2	L179 L180 C181	L179-S183 PolarHBondContact O-N 3.26Å; L179-S183 PolarHBondContact O-OG 3.45Å; L180-S183 WeakPolarHBondContact O-CB 3.44Å; L180-S183 PolarHBondContact O-N 3.18Å; C181-S183 PolarHBondContact O-N 3.03Å
184	C	62.2	Low	68.6	Low	91 Å²	91	97.3 Å²	97.3	62%	0.615	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-57.1	133.5	-178.1	-74.2	0	0	0	0	110.5	C182	C182-C184 PolarHBondContact O-N 2.96Å
185	P	58.7	Low	66.4	Low	65 Å²	65	103.5 Å²	103.5	42%	0.422	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-58.8	140.5	164	23.1	-28.8	0	0	0	108	A114 R187	A114-P185 HydrophobicContact CB-CB 3.85Å; A114-P185 HydrophobicContact CB-CG 4.15Å; P185-R187 PolarHBondContact O-N 2.97Å
186	P	53	Low	64.5	Low	104 Å²	104	103.7 Å²	103.7	68%	0.675	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-53.2	124.2	168.7	24	-31.6	0	0	0	107	E188	P186-E188 PolarHBondContact O-N 3.12Å
187	R	50.9	Low	62.6	Low	242 Å²	242	109.6 Å²	109.6	91%	0.913	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-46.8	121.6	168.3	-96.5	179.5	165.9	160.4	-3.5	105.9	P185 K189	P185-R187 PolarHBondContact O-N 2.97Å; R187-K189 VanDerWaalsContact C-N 3.29Å; R187-K189 PolarHBondContact O-N 3.22Å
188	E	47.7	Very low	60.6	Low	165 Å²	165	119.5 Å²	119.5	77%	0.771	60%	0.604	S	S	*	*			trans	-49.1	109.7	157.7	-76.9	-172.5	168.3	0	0	105	P186 K190	P186-E188 PolarHBondContact O-N 3.12Å; E188-K190 PolarHBondContact O-N 3.05Å
189	K	41.3	Very low	58.8	Low	188 Å²	188	122.7 Å²	122.7	82%	0.817	62%	0.624	S	S	*	*			trans	-57.8	99.4	155.9	-72.8	-179.5	179.5	177.8	0	101.9	R187 Y191	R187-K189 VanDerWaalsContact C-N 3.29Å; R187-K189 PolarHBondContact O-N 3.22Å; K189-Y191 VanDerWaalsContact C-N 3.27Å; K189-Y191 PolarHBondContact O-N 3.39Å
190	K	39.4	Very low	57	Low	193 Å²	193	124.2 Å²	124.2	84%	0.839	64%	0.644	S	S	*	*			trans	-43.5	108.8	161.6	-81.9	-177	175.6	-178.3	0	103.4	E188 M192	E188-K190 PolarHBondContact O-N 3.05Å; K190-M192 PolarHBondContact O-N 3.18Å
191	Y	40.4	Very low	54.7	Low	213 Å²	213	130.1 Å²	130.1	84%	0.835	68%	0.682	S	S	*	*			trans	-53.5	105	170.9	-89.2	-101	0	0	0	103.8	K189 P193	K189-Y191 VanDerWaalsContact C-N 3.27Å; K189-Y191 PolarHBondContact O-N 3.39Å; Y191-P193 WeakPolarHBondContact O-CD 3.42Å; Y191-P193 VanDerWaalsContact O-N 3.12Å
192	M	44.7	Very low	52.7	Low	169 Å²	169	140 Å²	140	83%	0.833	71%	0.714	S	S	*	*			trans	-52.3	121.4	153.1	-91.6	-175.7	143.9	0	0	102.9	K190 T194	K190-M192 PolarHBondContact O-N 3.18Å; M192-T194 PolarHBondContact O-N 3.31Å
193	P	43.8	Very low	50.8	Low	117 Å²	117	141.5 Å²	141.5	76%	0.76	73%	0.726	S	S	*	*			trans	-56	112.4	176.5	23	-30.8	0	0	0	105.1	Y191 K195	Y191-P193 WeakPolarHBondContact O-CD 3.42Å; Y191-P193 VanDerWaalsContact O-N 3.12Å; P193-K195 PolarHBondContact O-N 3.43Å
194	T	51.7	Low	49.5	Very low	115 Å²	115	148.2 Å²	148.2	71%	0.706	77%	0.767	S	S	*	*			trans	-49	112.5	171.7	-56.1	0	0	0	0	104.4	M192 V196	M192-T194 PolarHBondContact O-N 3.31Å; T194-V196 WeakPolarHBondContact O-CG2 3.42Å; T194-V196 PolarHBondContact O-N 3.4Å
195	K	51.2	Low	48.4	Very low	191 Å²	191	147 Å²	147	83%	0.83	77%	0.769	S	S	*	*			trans	-57.1	99.2	172.4	-102.7	-175.1	174.8	-179.9	0	105.1	P193 V197	P193-K195 PolarHBondContact O-N 3.43Å; K195-V197 PolarHBondContact O-N 3.14Å
196	V	55.8	Low	47.6	Very low	110 Å²	110	150.5 Å²	150.5	67%	0.667	79%	0.792	S	S	*	*			trans	-68.8	93.5	171.5	-164.9	0	0	0	0	104	T194 Y198	T194-V196 WeakPolarHBondContact O-CG2 3.42Å; T194-V196 PolarHBondContact O-N 3.4Å; V196-Y198 VanDerWaalsContact C-N 3.27Å; V196-Y198 HydrophobicContact CG1-CD2 4.37Å; V196-Y198 HydrophobicContact CG1-CE2 4.34Å; V196-Y198 PolarHBondContact O-N 3.49Å
197	V	55	Low	46.9	Very low	123 Å²	123	149 Å²	149	75%	0.745	80%	0.796	S	S	*	*			trans	-71	96.7	169.1	179.5	0	0	0	0	104.6	K195 S199	K195-V197 PolarHBondContact O-N 3.14Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 3.21Å
198	Y	52.1	Low	46	Very low	208 Å²	208	142 Å²	142	82%	0.816	79%	0.79	S	S	*	*			trans	-59.7	102.5	164.3	-89	-87.5	0	0	0	107.1	V196 A200	V196-Y198 VanDerWaalsContact C-N 3.27Å; V196-Y198 HydrophobicContact CG1-CD2 4.37Å; V196-Y198 HydrophobicContact CG1-CE2 4.34Å; V196-Y198 PolarHBondContact O-N 3.49Å; Y198-A200 PolarHBondContact O-N 2.78Å; Y198-A200 VanDerWaalsContact O-N 3.1Å
199	S	56.4	Low	45.3	Very low	107 Å²	107	139.3 Å²	139.3	75%	0.748	79%	0.79	S	S	*	*			trans	-67.7	104.3	162.9	52	0	0	0	0	107	V197	V197-S199 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 3.21Å
200	A	55.5	Low	44.9	Very low	82 Å²	82	139.7 Å²	139.7	68%	0.678	80%	0.796	S	S	*	*			trans	-55.7	139.2	170.8	0	0	0	0	0	109.4	Y198 R202	Y198-A200 PolarHBondContact O-N 2.78Å; Y198-A200 VanDerWaalsContact O-N 3.1Å; A200-R202 PolarHBondContact O-N 3.18Å
201	P	42.3	Very low	44.6	Very low	125 Å²	125	133.3 Å²	133.3	81%	0.812	79%	0.785	S	S	*	*			trans	-63	123.2	177.3	24.2	-29.8	0	0	0	109	S203	P201-S203 PolarHBondContact O-N 3.13Å
202	R	48.9	Very low	44.2	Very low	242 Å²	242	129.7 Å²	129.7	91%	0.913	79%	0.786	S	S	*	*			trans	-66.4	103.8	168.4	-87.9	-177.9	171.9	163.5	-2.7	107.7	A200 T204	A200-R202 PolarHBondContact O-N 3.18Å; R202-T204 PolarHBondContact O-N 3.09Å
203	S	42.9	Very low	44.3	Very low	117 Å²	117	126 Å²	126	82%	0.818	78%	0.782	S	S	*	*			trans	-67.7	107.9	165.9	56.6	0	0	0	0	108.6	P201 G205	P201-S203 PolarHBondContact O-N 3.13Å; S203-G205 PolarHBondContact O-N 3.12Å
204	T	46.3	Very low	44.1	Very low	145 Å²	145	130.9 Å²	130.9	89%	0.89	79%	0.787	S	S	*	*			trans	-75.7	105.9	164.8	45.4	0	0	0	0	108.4	R202	R202-T204 PolarHBondContact O-N 3.09Å
205	G	37.9	Very low	43.3	Very low	65 Å²	65	132.2 Å²	132.2	67%	0.67	79%	0.79	S	S	*	*			trans	-155.3	142.6	172.3	0	0	0	0	0	110.4	S203	S203-G205 PolarHBondContact O-N 3.12Å
206	P	42.3	Very low	43.1	Very low	139 Å²	139	134.2 Å²	134.2	90%	0.903	79%	0.792	S	S	*	*			trans	-94.4	141	-149.6	35.2	-31.9	0	0	0	113.8
207	G	38.3	Very low	42.5	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	80%	0.796	S	S	*	*			trans	106.7	139.3	152.8	0	0	0	0	0	117.4
208	A	32.7	Very low	41.9	Very low	95 Å²	95	137.9 Å²	137.9	79%	0.785	80%	0.796	S	S	*	*			trans	79.5	103.1	152.3	0	0	0	0	0	120.3
209	S	32.5	Very low	41.6	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	80%	0.799	S	S	*	*				48.2	123.7	127.8	63.2	0	0	0	0	122.2
210	M	33.1	Very low	40.9	Very low	195 Å²	195	144 Å²	144	96%	0.961	83%	0.826	S	S	*	*				61	121.8	126	-157.1	145.9	93.7	0	0	119.9
211	G	33.3	Very low	40.2	Very low	59 Å²	59	147.1 Å²	147.1	61%	0.608	83%	0.833	S	S	*	*			trans	125.4	111.7	143.7	0	0	0	0	0	117.4
212	T	32.2	Very low	40.1	Very low	138 Å²	138	148.3 Å²	148.3	85%	0.847	83%	0.834	S	S	*	*			trans	60.9	123.5	135.6	49.7	0	0	0	0	121.8
213	A	45.9	Very low	39.6	Very low	91 Å²	91	143.1 Å²	143.1	75%	0.752	83%	0.83	S	S	*	*			trans	-55.1	142.2	160.1	0	0	0	0	0	113.4
214	Y	38.9	Very low	39.4	Very low	219 Å²	219	144.6 Å²	144.6	86%	0.859	83%	0.831	S	S	*	*			trans	-163.3	109.1	150	-97	-76.2	0	0	0	107.5
215	D	36.4	Very low	38.9	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	83%	0.827	S	S	*	*				71	125.4	94.5	-153.9	17.2	0	0	0	115
216	R	45.3	Very low	39	Very low	233 Å²	233	149.9 Å²	149.9	88%	0.879	84%	0.837	S	S	*	*			trans	-111.4	99	-167.7	174.2	-172.2	-177.7	172	1.9	106.9
217	K	43.8	Very low	38.8	Very low	174 Å²	174	150.6 Å²	150.6	76%	0.757	83%	0.833	S	S	*	*			trans	-165.1	147.9	160	-100.5	152.6	-167.7	178	0	108.5
218	D	41.8	Very low	38.8	Very low	137 Å²	137	156.5 Å²	156.5	73%	0.733	84%	0.838	S	S	*	*			trans	75.7	115.1	-171.5	-43.1	-34.2	0	0	0	109.8
219	Y	47.3	Very low	39.3	Very low	228 Å²	228	161.7 Å²	161.7	89%	0.894	84%	0.843	S	S	*	*				-147.2	138	62.2	-65.9	-92.8	0	0	0	112
220	V	41.1	Very low	39.9	Very low	215 Å²	215	166.5 Å²	166.5	100%	1.303	85%	0.851	S	S	*	*			trans	-71.2	0	146.2	171.6	0	0	0	0	108.1

Retrieved 220 of 220 residues in 38.5 ms (Link to these results)

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