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Sodium/potassium-transporting ATPase subunit beta-1-interacting protein 2

AlphaFold DB , UniProt , Accession Q5VXU1, Species HUMAN (Homo sapiens, Human), Gene NKAIN2, Length 208 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	41.7	Very low	76	Confident	244 Å²	244	72.5 Å²	72.5	100%	1.202	41%	0.406	S	S	*	.				0	-10.5	0	-83.4	164.6	171.3	0	0	114.5
2	G	48.8	Very low	77.5	Confident	39 Å²	39	78.1 Å²	78.1	40%	0.402	42%	0.423	S	S	.	.			trans	-87.9	-20	-177.4	0	0	0	0	0	117.9	C4 S5	G2-C4 PolarHBondContact O-N 2.94Å; G2-S5 WeakPolarHBondContact O-CB 3.3Å; G2-S5 PolarHBondContact O-N 3.5Å
3	Y	54	Low	78.8	Confident	130 Å²	130	73.2 Å²	73.2	51%	0.51	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-34.6	-174.3	-73.5	-87.8	0	0	0	114.3	S5 C171 E175	Y3-S5 VanDerWaalsContact C-N 3.31Å; Y3-S5 PolarHBondContact O-N 2.86Å; Y3-C171 HydrophobicContact CD1-CB 4.44Å; Y3-C171 HydrophobicContact CE1-CB 4.43Å; Y3-E175 WeakPolarHBondContact CD1-OE1 2.97Å
4	C	62.8	Low	80	Confident	77 Å²	77	68 Å²	68	52%	0.52	37%	0.368	S	S	.	.	H	α-helix	trans	-72.7	-22.6	173.1	-79.6	0	0	0	0	113	G2 R7 C8	G2-C4 PolarHBondContact O-N 2.94Å; C4-R7 PolarHBondContact SG-NH2 3.1Å; C4-C8 WeakPolarHBondContact O-CB 3.44Å; C4-C8 PolarHBondContact O-N 3Å; C4-C8 PolarHBondContact O-SG 3.09Å
5	S	83	Confident	81	Confident	71 Å²	71	65.5 Å²	65.5	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-70.2	-48.2	-174.9	-166.1	0	0	0	0	111.6	G2 Y3 R7 C8 T9	G2-S5 WeakPolarHBondContact O-CB 3.3Å; G2-S5 PolarHBondContact O-N 3.5Å; Y3-S5 VanDerWaalsContact C-N 3.31Å; Y3-S5 PolarHBondContact O-N 2.86Å; S5-R7 PolarHBondContact O-N 2.7Å; S5-C8 PolarHBondContact O-N 2.69Å; S5-T9 WeakPolarHBondContact O-CB 3.17Å; S5-T9 PolarHBondContact O-N 2.95Å; S5-T9 PolarHBondContact O-OG1 3.27Å
6	G	86.1	Confident	81.9	Confident	4 Å²	4	66.3 Å²	66.3	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-43.4	-175.6	0	0	0	0	0	113.5	T9 L10	G6-T9 PolarHBondContact O-N 3.11Å; G6-L10 PolarHBondContact O-N 3.45Å
7	R	87.8	Confident	82.7	Confident	49 Å²	49	62.4 Å²	62.4	19%	0.185	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-46.4	178	-61.6	-173.8	-53.3	-126.4	-0	112.2	C4 S5 T9 L10 I11 T54 Y57 V168	C4-R7 PolarHBondContact SG-NH2 3.1Å; S5-R7 PolarHBondContact O-N 2.7Å; R7-T9 VanDerWaalsContact C-N 3.26Å; R7-T9 PolarHBondContact O-N 3.48Å; R7-L10 PolarHBondContact O-N 3.27Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.29Å; R7-I11 PolarHBondContact O-N 3.14Å; R7-T54 HydrophobicContact CB-CG2 4.27Å; R7-Y57 PolarHBondContact NH1-OH 2.92Å; R7-Y57 PolarHBondContact NH2-OH 2.69Å; R7-V168 HydrophobicContact CG-CG1 4.23Å; R7-V168 HydrophobicContact CG-CG2 4.31Å
8	C	91.3	Very high	83.5	Confident	82 Å²	82	60.6 Å²	60.6	55%	0.554	33%	0.334	S	S	*	.	H	α-helix	trans	-60.8	-39.3	177.4	-69.6	0	0	0	0	111	C4 S5 I11 F12	C4-C8 WeakPolarHBondContact O-CB 3.44Å; C4-C8 PolarHBondContact O-N 3Å; C4-C8 PolarHBondContact O-SG 3.09Å; S5-C8 PolarHBondContact O-N 2.69Å; C8-I11 PolarHBondContact O-N 2.91Å; C8-F12 WeakPolarHBondContact O-CB 3.43Å; C8-F12 PolarHBondContact O-N 2.75Å
9	T	92.6	Very high	84.1	Confident	37 Å²	37	62.2 Å²	62.2	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-42.8	174.6	-55.9	0	0	0	0	111.9	S5 G6 R7 F12 I13 Y164	S5-T9 WeakPolarHBondContact O-CB 3.17Å; S5-T9 PolarHBondContact O-N 2.95Å; S5-T9 PolarHBondContact O-OG1 3.27Å; G6-T9 PolarHBondContact O-N 3.11Å; R7-T9 VanDerWaalsContact C-N 3.26Å; R7-T9 PolarHBondContact O-N 3.48Å; T9-F12 WeakPolarHBondContact O-CB 3.25Å; T9-F12 PolarHBondContact O-N 3.26Å; T9-I13 HydrophobicContact CG2-CD1 3.86Å; T9-I13 HydrophobicContact CG2-CG1 4.42Å; T9-I13 VanDerWaalsContact O-CG1 3.28Å; T9-I13 WeakPolarHBondContact O-CG1 3.01Å; T9-I13 PolarHBondContact O-N 3.4Å; T9-Y164 HydrophobicContact CG2-CD1 3.96Å; T9-Y164 HydrophobicContact CG2-CD2 4.07Å; T9-Y164 HydrophobicContact CG2-CE1 3.57Å; T9-Y164 HydrophobicContact CG2-CE2 3.7Å; T9-Y164 HydrophobicContact CG2-CG 4.2Å; T9-Y164 VanDerWaalsContact CG2-CZ 3.43Å
10	L	93.6	Very high	84.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-43.6	176.2	-176.2	59.3	0	0	0	111.8	G6 R7 F12 I13 C14 T54 I62 Y65 A165 V168	G6-L10 PolarHBondContact O-N 3.45Å; R7-L10 PolarHBondContact O-N 3.27Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-F12 PolarHBondContact O-N 2.8Å; L10-I13 PolarHBondContact O-N 3.33Å; L10-C14 WeakPolarHBondContact O-CB 3.22Å; L10-C14 PolarHBondContact O-N 2.99Å; L10-C14 PolarHBondContact O-SG 3.13Å; L10-T54 HydrophobicContact CD2-CG2 4.04Å; L10-T54 WeakPolarHBondContact CD2-OG1 3.31Å; L10-I62 HydrophobicContact CD2-CG2 4.33Å; L10-Y65 HydrophobicContact CD1-CE1 4.19Å; L10-A165 HydrophobicContact CD1-CB 4.4Å; L10-V168 HydrophobicContact CB-CG2 4.3Å; L10-V168 HydrophobicContact CD2-CB 4.07Å; L10-V168 HydrophobicContact CD2-CG1 4.34Å; L10-V168 HydrophobicContact CD2-CG2 3.92Å
11	I	93.9	Very high	85.2	Confident	65 Å²	65	56.9 Å²	56.9	33%	0.333	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-44.5	174.8	-69.9	166	0	0	0	110.6	R7 C8 C14 G15 L51 T54 I55	R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.29Å; R7-I11 PolarHBondContact O-N 3.14Å; C8-I11 PolarHBondContact O-N 2.91Å; I11-C14 PolarHBondContact O-N 3.43Å; I11-G15 PolarHBondContact O-N 3.16Å; I11-L51 HydrophobicContact CB-CD1 4.19Å; I11-L51 HydrophobicContact CG1-CD1 3.91Å; I11-L51 HydrophobicContact CG2-CD1 3.93Å; I11-T54 HydrophobicContact CD1-CG2 4.38Å; I11-T54 HydrophobicContact CG1-CG2 4.01Å; I11-I55 HydrophobicContact CD1-CG1 4.27Å
12	F	94.5	Very high	87.7	Confident	139 Å²	139	49.4 Å²	49.4	61%	0.61	28%	0.281	S	S	*	.	H	α-helix	trans	-62.2	-45.2	176.8	178.8	-100.4	0	0	0	112	C8 T9 L10 G15 M16	C8-F12 WeakPolarHBondContact O-CB 3.43Å; C8-F12 PolarHBondContact O-N 2.75Å; T9-F12 WeakPolarHBondContact O-CB 3.25Å; T9-F12 PolarHBondContact O-N 3.26Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-F12 PolarHBondContact O-N 2.8Å; F12-G15 PolarHBondContact O-N 3.42Å; F12-M16 HydrophobicContact CD1-CG 4.39Å; F12-M16 HydrophobicContact CE1-CG 3.94Å; F12-M16 HydrophobicContact CE2-CG 4.4Å; F12-M16 HydrophobicContact CZ-CG 3.95Å; F12-M16 HydrophobicContact CZ-SD 4.24Å; F12-M16 WeakPolarHBondContact O-CG 3.04Å; F12-M16 PolarHBondContact O-N 3.32Å
13	I	94.8	Very high	89.8	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.077	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-45.4	177.2	-68.3	165.3	0	0	0	110.9	T9 L10 G15 M16 Q17 A160 Y164	T9-I13 HydrophobicContact CG2-CD1 3.86Å; T9-I13 HydrophobicContact CG2-CG1 4.42Å; T9-I13 VanDerWaalsContact O-CG1 3.28Å; T9-I13 WeakPolarHBondContact O-CG1 3.01Å; T9-I13 PolarHBondContact O-N 3.4Å; L10-I13 PolarHBondContact O-N 3.33Å; I13-G15 VanDerWaalsContact C-N 3.28Å; I13-G15 PolarHBondContact O-N 3.23Å; I13-M16 PolarHBondContact O-N 2.94Å; I13-Q17 HydrophobicContact CG2-CG 4.4Å; I13-Q17 WeakPolarHBondContact O-CG 3.44Å; I13-Q17 PolarHBondContact O-N 3.03Å; I13-A160 HydrophobicContact CD1-CB 4.18Å; I13-Y164 HydrophobicContact CD1-CD2 3.32Å; I13-Y164 HydrophobicContact CD1-CE2 3.83Å; I13-Y164 HydrophobicContact CD1-CG 4Å
14	C	95.1	Very high	91.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-40	175.2	-70.3	0	0	0	0	111.4	L10 I11 Q17 L18 V47 L51	L10-C14 WeakPolarHBondContact O-CB 3.22Å; L10-C14 PolarHBondContact O-N 2.99Å; L10-C14 PolarHBondContact O-SG 3.13Å; I11-C14 PolarHBondContact O-N 3.43Å; C14-Q17 PolarHBondContact O-N 3.05Å; C14-L18 WeakPolarHBondContact O-CG 3.41Å; C14-L18 PolarHBondContact O-N 3.42Å; C14-V47 HydrophobicContact CB-CG1 3.98Å; C14-L51 HydrophobicContact CB-CD1 4.41Å
15	G	94.9	Very high	93	Very high	31 Å²	31	42.9 Å²	42.9	32%	0.32	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-46.7	173.7	0	0	0	0	0	112.3	I11 F12 I13 L18 V19	I11-G15 PolarHBondContact O-N 3.16Å; F12-G15 PolarHBondContact O-N 3.42Å; I13-G15 VanDerWaalsContact C-N 3.28Å; I13-G15 PolarHBondContact O-N 3.23Å; G15-L18 PolarHBondContact O-N 3.31Å; G15-V19 WeakPolarHBondContact O-CG2 3.17Å; G15-V19 PolarHBondContact O-N 3.43Å
16	M	95.3	Very high	93.5	Very high	77 Å²	77	44.5 Å²	44.5	38%	0.379	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-42	175.4	-71.6	-62.2	-60.5	0	0	112.2	F12 I13 L18 V19 C20 L157	F12-M16 HydrophobicContact CD1-CG 4.39Å; F12-M16 HydrophobicContact CE1-CG 3.94Å; F12-M16 HydrophobicContact CE2-CG 4.4Å; F12-M16 HydrophobicContact CZ-CG 3.95Å; F12-M16 HydrophobicContact CZ-SD 4.24Å; F12-M16 WeakPolarHBondContact O-CG 3.04Å; F12-M16 PolarHBondContact O-N 3.32Å; I13-M16 PolarHBondContact O-N 2.94Å; M16-L18 VanDerWaalsContact C-N 3.34Å; M16-L18 PolarHBondContact O-N 3.12Å; M16-V19 PolarHBondContact O-N 2.03Å; M16-C20 WeakPolarHBondContact O-CB 3.08Å; M16-C20 PolarHBondContact O-N 3.48Å; M16-C20 PolarHBondContact O-SG 2.97Å; M16-C20 VanDerWaalsContact O-SG 3.36Å; M16-L157 HydrophobicContact CB-CD2 4.24Å
17	Q	95.9	Very high	93.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-45.2	174.5	-76.4	177.3	-3.6	0	0	111.5	I13 C14 C20 V21 V47 Y65 L157	I13-Q17 HydrophobicContact CG2-CG 4.4Å; I13-Q17 WeakPolarHBondContact O-CG 3.44Å; I13-Q17 PolarHBondContact O-N 3.03Å; C14-Q17 PolarHBondContact O-N 3.05Å; Q17-C20 PolarHBondContact O-N 3.46Å; Q17-V21 WeakPolarHBondContact O-CB 3.32Å; Q17-V21 VanDerWaalsContact O-CG1 3.27Å; Q17-V21 WeakPolarHBondContact O-CG1 3.18Å; Q17-V21 PolarHBondContact O-N 3.01Å; Q17-V47 HydrophobicContact CB-CG1 4.5Å; Q17-Y65 PolarHBondContact NE2-OH 2.93Å; Q17-Y65 PolarHBondContact OE1-OH 3.27Å; Q17-L157 HydrophobicContact CG-CB 3.87Å; Q17-L157 PolarHBondContact NE2-O 3.38Å
18	L	96.1	Very high	93.5	Very high	31 Å²	31	44 Å²	44	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-45.4	177	-73.9	174.7	0	0	0	111.9	C14 G15 M16 V21 L22 I44 V47 I48	C14-L18 WeakPolarHBondContact O-CG 3.41Å; C14-L18 PolarHBondContact O-N 3.42Å; G15-L18 PolarHBondContact O-N 3.31Å; M16-L18 VanDerWaalsContact C-N 3.34Å; M16-L18 PolarHBondContact O-N 3.12Å; L18-V21 WeakPolarHBondContact O-CG1 2.99Å; L18-L22 VanDerWaalsContact O-CB 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 WeakPolarHBondContact O-CD1 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.29Å; L18-L22 PolarHBondContact O-N 2.91Å; L18-I44 HydrophobicContact CD2-CG2 4.17Å; L18-V47 HydrophobicContact CD1-CG1 4.24Å; L18-V47 HydrophobicContact CD2-CB 3.91Å; L18-V47 HydrophobicContact CD2-CG1 3.74Å; L18-V47 HydrophobicContact CG-CB 4.38Å; L18-V47 HydrophobicContact CG-CG1 3.64Å; L18-I48 HydrophobicContact CD1-CG1 4.37Å; L18-I48 HydrophobicContact CD2-CG1 4.15Å
19	V	96	Very high	93.4	Very high	91 Å²	91	45.4 Å²	45.4	55%	0.552	23%	0.234	S	C	*	.	H	α-helix	trans	-62.3	-49.8	178.1	173.9	0	0	0	0	110.7	G15 M16 V21 L22 E23	G15-V19 WeakPolarHBondContact O-CG2 3.17Å; G15-V19 PolarHBondContact O-N 3.43Å; M16-V19 PolarHBondContact O-N 2.03Å; V19-V21 PolarHBondContact O-N 2.89Å; V19-L22 PolarHBondContact O-N 3.2Å; V19-E23 PolarHBondContact O-N 3.49Å
20	C	94.8	Very high	92.9	Very high	13 Å²	13	47.7 Å²	47.7	9%	0.088	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-38.3	-178.7	-68.6	0	0	0	0	112.9	M16 Q17 R24 Q154 L157	M16-C20 WeakPolarHBondContact O-CB 3.08Å; M16-C20 PolarHBondContact O-N 3.48Å; M16-C20 PolarHBondContact O-SG 2.97Å; M16-C20 VanDerWaalsContact O-SG 3.36Å; Q17-C20 PolarHBondContact O-N 3.46Å; C20-R24 WeakPolarHBondContact O-CG 3.49Å; C20-R24 PolarHBondContact O-N 2.93Å; C20-R24 VanDerWaalsContact O-N 3.14Å; C20-Q154 VanDerWaalsContact C-NE2 3.3Å; C20-Q154 PolarHBondContact O-NE2 3.33Å; C20-L157 HydrophobicContact CB-CD1 4.05Å
21	V	95.2	Very high	92.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-74.3	-32.7	177.9	75	0	0	0	0	111.7	Q17 L18 V19 R24 Q25 N40 I44 W72	Q17-V21 WeakPolarHBondContact O-CB 3.32Å; Q17-V21 VanDerWaalsContact O-CG1 3.27Å; Q17-V21 WeakPolarHBondContact O-CG1 3.18Å; Q17-V21 PolarHBondContact O-N 3.01Å; L18-V21 WeakPolarHBondContact O-CG1 2.99Å; V19-V21 PolarHBondContact O-N 2.89Å; V21-R24 PolarHBondContact O-N 3.05Å; V21-Q25 WeakPolarHBondContact O-CB 3.46Å; V21-Q25 PolarHBondContact O-N 3.39Å; V21-N40 HydrophobicContact CG2-CB 3.82Å; V21-I44 HydrophobicContact CB-CG1 4.48Å; V21-I44 HydrophobicContact CG1-CD1 4.07Å; V21-I44 HydrophobicContact CG1-CG1 3.39Å; V21-I44 HydrophobicContact CG2-CG1 4.24Å; V21-W72 HydrophobicContact CG2-CZ2 4.34Å
22	L	95.3	Very high	91.5	Very high	86 Å²	86	52.4 Å²	52.4	45%	0.45	26%	0.26	S	S	.	.	H	α-helix	trans	-66.2	-40.3	174.2	-75.8	171.3	0	0	0	111.4	L18 V19 Q25 I26 I44	L18-L22 VanDerWaalsContact O-CB 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 WeakPolarHBondContact O-CD1 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.29Å; L18-L22 PolarHBondContact O-N 2.91Å; V19-L22 PolarHBondContact O-N 3.2Å; L22-Q25 WeakPolarHBondContact O-CB 3.49Å; L22-Q25 PolarHBondContact O-N 3.44Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.2Å; L22-I26 VanDerWaalsContact O-N 3.09Å; L22-I44 HydrophobicContact CD2-CD1 3.87Å
23	E	93	Very high	90.8	Very high	81 Å²	81	45.9 Å²	45.9	38%	0.379	23%	0.232	S	C	.	.	H	α-helix	trans	-58.2	-51.5	172.4	-178.4	-174.8	172.5	0	0	111	V19 Q25 I26 F27 H150	V19-E23 PolarHBondContact O-N 3.49Å; E23-Q25 VanDerWaalsContact C-N 3.32Å; E23-Q25 PolarHBondContact O-N 2.94Å; E23-I26 PolarHBondContact O-N 3.41Å; E23-F27 HydrophobicContact CG-CD2 3.98Å; E23-F27 HydrophobicContact CG-CE2 3.56Å; E23-F27 WeakPolarHBondContact O-CD2 3.3Å; E23-F27 PolarHBondContact O-N 3.29Å; E23-H150 IonicContact OE1-CE1 3.88Å
24	R	91.2	Very high	90.3	Very high	14 Å²	14	50.4 Å²	50.4	5%	0.053	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-41.5	175.7	-68.2	-162.1	90.7	157.8	15.5	112.3	C20 V21 I26 F27 D28 E147 H150 S151	C20-R24 WeakPolarHBondContact O-CG 3.49Å; C20-R24 PolarHBondContact O-N 2.93Å; C20-R24 VanDerWaalsContact O-N 3.14Å; V21-R24 PolarHBondContact O-N 3.05Å; R24-I26 VanDerWaalsContact C-N 3.26Å; R24-I26 PolarHBondContact O-N 3.5Å; R24-F27 PolarHBondContact O-N 2.9Å; R24-F27 VanDerWaalsContact O-N 3.09Å; R24-D28 WeakPolarHBondContact O-CB 3.18Å; R24-D28 PolarHBondContact O-N 3.27Å; R24-E147 IonicContact CZ-OE2 2.85Å; R24-E147 PolarHBondContact NH2-O 3Å; R24-E147 IonicContact NH2-OE2 3.65Å; R24-E147 PolarHBondContact NH2-OE2 3.33Å; R24-H150 HydrophobicContact CG-CB 4.28Å; R24-H150 PolarHBondContact NH1-O 3.25Å; R24-H150 VanDerWaalsContact NH2-CB 3.29Å; R24-S151 PolarHBondContact NH1-OG 3.43Å; R24-S151 PolarHBondContact NH2-OG 2.9Å; R24-S151 VanDerWaalsContact NH2-OG 3.13Å
25	Q	93.5	Very high	89.9	Confident	15 Å²	15	50.8 Å²	50.8	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-57.5	-40.3	179.2	-178.8	63.9	86.3	0	0	112	V21 L22 E23 F29 I37 N40	V21-Q25 WeakPolarHBondContact O-CB 3.46Å; V21-Q25 PolarHBondContact O-N 3.39Å; L22-Q25 WeakPolarHBondContact O-CB 3.49Å; L22-Q25 PolarHBondContact O-N 3.44Å; E23-Q25 VanDerWaalsContact C-N 3.32Å; E23-Q25 PolarHBondContact O-N 2.94Å; Q25-F29 HydrophobicContact CG-CD2 3.89Å; Q25-F29 HydrophobicContact CG-CE2 3.71Å; Q25-F29 VanDerWaalsContact NE2-CD2 3.3Å; Q25-F29 WeakPolarHBondContact O-CB 3.14Å; Q25-F29 WeakPolarHBondContact O-CD2 3.26Å; Q25-F29 PolarHBondContact O-N 2.97Å; Q25-I37 PolarHBondContact OE1-O 3.19Å; Q25-N40 HydrophobicContact CB-CB 4.47Å; Q25-N40 VanDerWaalsContact OE1-CB 3.24Å
26	I	91.9	Very high	89.6	Confident	105 Å²	105	49.8 Å²	49.8	54%	0.538	24%	0.239	S	C	.	.	H	α-helix	trans	-64.6	-47.5	176.3	-66.3	162.3	0	0	0	110.1	L22 E23 R24 F29 L30	L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.2Å; L22-I26 VanDerWaalsContact O-N 3.09Å; E23-I26 PolarHBondContact O-N 3.41Å; R24-I26 VanDerWaalsContact C-N 3.26Å; R24-I26 PolarHBondContact O-N 3.5Å; I26-F29 PolarHBondContact O-N 3.38Å; I26-L30 HydrophobicContact CG2-CD1 4.35Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 3.26Å; I26-L30 VanDerWaalsContact O-N 3.07Å
27	F	88.2	Confident	89.3	Confident	39 Å²	39	46.9 Å²	46.9	17%	0.171	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-38.3	179	-68.8	-58.5	0	0	0	113.1	E23 R24 F29 L30 G31 W107 W108	E23-F27 HydrophobicContact CG-CD2 3.98Å; E23-F27 HydrophobicContact CG-CE2 3.56Å; E23-F27 WeakPolarHBondContact O-CD2 3.3Å; E23-F27 PolarHBondContact O-N 3.29Å; R24-F27 PolarHBondContact O-N 2.9Å; R24-F27 VanDerWaalsContact O-N 3.09Å; F27-F29 VanDerWaalsContact C-N 3.33Å; F27-F29 PolarHBondContact O-N 3.35Å; F27-L30 HydrophobicContact CD1-CD1 4.32Å; F27-L30 CarbonylContact O-C 3.59Å; F27-L30 WeakPolarHBondContact O-CB 3.4Å; F27-L30 PolarHBondContact O-N 3.17Å; F27-L30 VanDerWaalsContact O-N 3.17Å; F27-G31 PolarHBondContact O-N 2.87Å; F27-W107 HydrophobicContact CD1-CD2 4.49Å; F27-W107 AromaticContact CD1-CE3 3.98Å; F27-W107 HydrophobicContact CD1-CE3 3.98Å; F27-W107 HydrophobicContact CD1-CZ3 4.43Å; F27-W107 HydrophobicContact CE1-CE3 4.07Å; F27-W107 HydrophobicContact CE1-CZ3 4.05Å; F27-W108 HydrophobicContact CD1-CZ2 4.15Å; F27-W108 HydrophobicContact CD2-CZ2 4.24Å; F27-W108 HydrophobicContact CE1-CH2 4.29Å; F27-W108 AromaticContact CE1-CZ2 3.83Å; F27-W108 HydrophobicContact CE1-CZ2 3.83Å; F27-W108 AromaticContact CE2-CZ2 3.91Å; F27-W108 HydrophobicContact CE2-CZ2 3.91Å; F27-W108 HydrophobicContact CG-CZ2 4.37Å; F27-W108 HydrophobicContact CZ-CH2 4.15Å; F27-W108 AromaticContact CZ-CZ2 3.7Å; F27-W108 HydrophobicContact CZ-CZ2 3.7Å
28	D	87.2	Confident	89.1	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-36.1	177.2	-64.7	-2.2	0	0	0	111.2	R24 G31 Y32 Q33 P36 I37 N40	R24-D28 WeakPolarHBondContact O-CB 3.18Å; R24-D28 PolarHBondContact O-N 3.27Å; D28-G31 CarbonylContact O-C 3.35Å; D28-G31 PolarHBondContact O-N 3.35Å; D28-Y32 PolarHBondContact O-N 3.44Å; D28-Q33 HydrophobicContact CB-CB 4.48Å; D28-Q33 PolarHBondContact O-N 2.88Å; D28-Q33 PolarHBondContact OD1-OE1 3.06Å; D28-P36 HydrophobicContact CB-CB 4.42Å; D28-P36 VanDerWaalsContact OD2-CB 3.29Å; D28-P36 WeakPolarHBondContact OD2-CB 3.21Å; D28-I37 HydrophobicContact CB-CG1 3.9Å; D28-N40 PolarHBondContact OD2-ND2 2.95Å
29	F	87.5	Confident	88.9	Confident	111 Å²	111	50.7 Å²	50.7	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-42.2	171	-90	-60.4	0	0	0	111.9	Q25 I26 F27 G31 Y32 I37	Q25-F29 HydrophobicContact CG-CD2 3.89Å; Q25-F29 HydrophobicContact CG-CE2 3.71Å; Q25-F29 VanDerWaalsContact NE2-CD2 3.3Å; Q25-F29 WeakPolarHBondContact O-CB 3.14Å; Q25-F29 WeakPolarHBondContact O-CD2 3.26Å; Q25-F29 PolarHBondContact O-N 2.97Å; I26-F29 PolarHBondContact O-N 3.38Å; F27-F29 VanDerWaalsContact C-N 3.33Å; F27-F29 PolarHBondContact O-N 3.35Å; F29-G31 VanDerWaalsContact C-N 3.26Å; F29-G31 PolarHBondContact O-N 3.25Å; F29-Y32 PolarHBondContact O-N 2.97Å; F29-I37 HydrophobicContact CD1-CD1 3.77Å; F29-I37 HydrophobicContact CD1-CG1 4.24Å; F29-I37 HydrophobicContact CD1-CG2 4.4Å; F29-I37 HydrophobicContact CE1-CD1 4.09Å; F29-I37 HydrophobicContact CE1-CG1 4.4Å; F29-I37 HydrophobicContact CE1-CG2 3.74Å; F29-I37 HydrophobicContact CE2-CG2 4.31Å; F29-I37 HydrophobicContact CG-CD1 4.32Å; F29-I37 HydrophobicContact CG-CG1 4.44Å; F29-I37 HydrophobicContact CZ-CG2 3.67Å
30	L	83.8	Confident	88.8	Confident	84 Å²	84	46.7 Å²	46.7	44%	0.44	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-28.5	176.1	-66.4	173.1	0	0	0	112.4	I26 F27 W107	I26-L30 HydrophobicContact CG2-CD1 4.35Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 3.26Å; I26-L30 VanDerWaalsContact O-N 3.07Å; F27-L30 HydrophobicContact CD1-CD1 4.32Å; F27-L30 CarbonylContact O-C 3.59Å; F27-L30 WeakPolarHBondContact O-CB 3.4Å; F27-L30 PolarHBondContact O-N 3.17Å; F27-L30 VanDerWaalsContact O-N 3.17Å; L30-W107 HydrophobicContact CB-CB 3.89Å; L30-W107 HydrophobicContact CB-CG 3.81Å; L30-W107 HydrophobicContact CD1-CD2 4.39Å; L30-W107 HydrophobicContact CD1-CG 4.23Å
31	G	78.2	Confident	88.8	Confident	4 Å²	4	51.8 Å²	51.8	4%	0.041	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.4	173.9	0	0	0	0	0	115.2	F27 D28 F29 Q33 R105	F27-G31 PolarHBondContact O-N 2.87Å; D28-G31 CarbonylContact O-C 3.35Å; D28-G31 PolarHBondContact O-N 3.35Å; F29-G31 VanDerWaalsContact C-N 3.26Å; F29-G31 PolarHBondContact O-N 3.25Å; G31-Q33 PolarHBondContact O-N 2.82Å; G31-R105 CarbonylContact C-O 3.43Å; G31-R105 WeakPolarHBondContact CA-O 3.22Å
32	Y	78.6	Confident	88.9	Confident	160 Å²	160	54 Å²	54	63%	0.627	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	35.3	-176.1	-57.8	-84.6	0	0	0	114.2	D28 F29 W34	D28-Y32 PolarHBondContact O-N 3.44Å; F29-Y32 PolarHBondContact O-N 2.97Å; Y32-W34 PolarHBondContact O-N 2.98Å
33	Q	80.9	Confident	88.9	Confident	2 Å²	2	50 Å²	50	1%	0.009	24%	0.236	C	C	.	.			trans	-87.5	84.2	-177.7	-71.4	169.3	-43.3	0	0	111	D28 G31 A35 P36 I37 Y83 H104	D28-Q33 HydrophobicContact CB-CB 4.48Å; D28-Q33 PolarHBondContact O-N 2.88Å; D28-Q33 PolarHBondContact OD1-OE1 3.06Å; G31-Q33 PolarHBondContact O-N 2.82Å; Q33-A35 PolarHBondContact O-N 3.49Å; Q33-P36 HydrophobicContact CB-CB 4.18Å; Q33-P36 HydrophobicContact CB-CG 3.88Å; Q33-P36 VanDerWaalsContact O-CD 3.31Å; Q33-P36 WeakPolarHBondContact O-CD 3.2Å; Q33-I37 WeakPolarHBondContact O-CB 3.5Å; Q33-I37 WeakPolarHBondContact O-CD1 3.19Å; Q33-I37 WeakPolarHBondContact O-CG1 3.47Å; Q33-I37 PolarHBondContact O-N 3.47Å; Q33-Y83 PolarHBondContact NE2-OH 3.47Å; Q33-H104 PolarHBondContact NE2-CE1 3.43Å; Q33-H104 VanDerWaalsContact NE2-CE1 3.35Å; Q33-H104 PolarHBondContact NE2-NE2 2.98Å
34	W	83.8	Confident	89.1	Confident	111 Å²	111	47.3 Å²	47.3	42%	0.42	22%	0.224	S	C	.	.	H	α-helix	trans	-56.3	-42.2	-172	-65.7	109.6	0	0	0	115.2	Y32 I37 L38 F99 I101	Y32-W34 PolarHBondContact O-N 2.98Å; W34-I37 HydrophobicContact CE3-CD1 4.39Å; W34-I37 PolarHBondContact O-N 3.37Å; W34-L38 PolarHBondContact O-N 3.14Å; W34-F99 HydrophobicContact CB-CD2 4.07Å; W34-I101 HydrophobicContact CG-CD1 4.41Å
35	A	86.1	Confident	89.4	Confident	7 Å²	7	50.2 Å²	50.2	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-47.8	-179.5	0	0	0	0	0	112.4	Q33 I37 L38 A39 W75 L97 F99	Q33-A35 PolarHBondContact O-N 3.49Å; A35-I37 VanDerWaalsContact C-N 3.35Å; A35-I37 PolarHBondContact O-N 3.27Å; A35-L38 PolarHBondContact O-N 3.17Å; A35-A39 WeakPolarHBondContact O-CB 3.46Å; A35-A39 PolarHBondContact O-N 3.19Å; A35-W75 HydrophobicContact CB-CH2 4.13Å; A35-W75 HydrophobicContact CB-CZ2 4.47Å; A35-L97 WeakPolarHBondContact CB-O 3.49Å; A35-L97 PolarHBondContact N-O 2.92Å; A35-F99 HydrophobicContact CB-CD2 4.24Å; A35-F99 HydrophobicContact CB-CE2 3.78Å; A35-F99 HydrophobicContact CB-CZ 4.35Å
36	P	88.1	Confident	89.5	Confident	11 Å²	11	51.1 Å²	51.1	7%	0.071	25%	0.245	C	C	.	.	H	α-helix	trans	-56.6	-41.5	169.2	-30.2	37.3	0	0	0	114.2	D28 Q33 L38 A39 N40 L97	D28-P36 HydrophobicContact CB-CB 4.42Å; D28-P36 VanDerWaalsContact OD2-CB 3.29Å; D28-P36 WeakPolarHBondContact OD2-CB 3.21Å; Q33-P36 HydrophobicContact CB-CB 4.18Å; Q33-P36 HydrophobicContact CB-CG 3.88Å; Q33-P36 VanDerWaalsContact O-CD 3.31Å; Q33-P36 WeakPolarHBondContact O-CD 3.2Å; P36-L38 VanDerWaalsContact C-N 3.34Å; P36-L38 PolarHBondContact O-N 2.83Å; P36-A39 PolarHBondContact O-N 2.96Å; P36-N40 WeakPolarHBondContact O-CB 3.09Å; P36-N40 VanDerWaalsContact O-CG 3.27Å; P36-N40 PolarHBondContact O-N 3.1Å; P36-N40 PolarHBondContact O-ND2 2.68Å; P36-L97 HydrophobicContact CG-CD1 4.43Å; P36-L97 HydrophobicContact CG-CD2 4.2Å; P36-L97 HydrophobicContact CG-CG 4.13Å
37	I	90	Very high	89.8	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.082	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-48.6	175.7	-70.5	163	0	0	0	110.6	Q25 D28 F29 Q33 W34 A35 F41	Q25-I37 PolarHBondContact OE1-O 3.19Å; D28-I37 HydrophobicContact CB-CG1 3.9Å; F29-I37 HydrophobicContact CD1-CD1 3.77Å; F29-I37 HydrophobicContact CD1-CG1 4.24Å; F29-I37 HydrophobicContact CD1-CG2 4.4Å; F29-I37 HydrophobicContact CE1-CD1 4.09Å; F29-I37 HydrophobicContact CE1-CG1 4.4Å; F29-I37 HydrophobicContact CE1-CG2 3.74Å; F29-I37 HydrophobicContact CE2-CG2 4.31Å; F29-I37 HydrophobicContact CG-CD1 4.32Å; F29-I37 HydrophobicContact CG-CG1 4.44Å; F29-I37 HydrophobicContact CZ-CG2 3.67Å; Q33-I37 WeakPolarHBondContact O-CB 3.5Å; Q33-I37 WeakPolarHBondContact O-CD1 3.19Å; Q33-I37 WeakPolarHBondContact O-CG1 3.47Å; Q33-I37 PolarHBondContact O-N 3.47Å; W34-I37 HydrophobicContact CE3-CD1 4.39Å; W34-I37 PolarHBondContact O-N 3.37Å; A35-I37 VanDerWaalsContact C-N 3.35Å; A35-I37 PolarHBondContact O-N 3.27Å; I37-F41 WeakPolarHBondContact O-CB 3Å; I37-F41 PolarHBondContact O-N 3.47Å
38	L	90.9	Very high	90.1	Very high	94 Å²	94	47.3 Å²	47.3	49%	0.492	23%	0.227	S	C	.	.	H	α-helix	trans	-65.3	-44.2	179	-178.8	63.2	0	0	0	111.5	W34 A35 P36 F41 V42	W34-L38 PolarHBondContact O-N 3.14Å; A35-L38 PolarHBondContact O-N 3.17Å; P36-L38 VanDerWaalsContact C-N 3.34Å; P36-L38 PolarHBondContact O-N 2.83Å; L38-F41 PolarHBondContact O-N 3.26Å; L38-V42 HydrophobicContact CD1-CG2 4.49Å; L38-V42 WeakPolarHBondContact O-CG2 3.17Å; L38-V42 PolarHBondContact O-N 3.13Å
39	A	92.4	Very high	90.5	Very high	17 Å²	17	50.7 Å²	50.7	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.4	-179.7	0	0	0	0	0	111.7	A35 P36 V42 H43 W72 W75	A35-A39 WeakPolarHBondContact O-CB 3.46Å; A35-A39 PolarHBondContact O-N 3.19Å; P36-A39 PolarHBondContact O-N 2.96Å; A39-V42 PolarHBondContact O-N 2.93Å; A39-H43 WeakPolarHBondContact O-CB 3.22Å; A39-H43 PolarHBondContact O-N 2.64Å; A39-W72 HydrophobicContact CB-CZ3 4.02Å; A39-W72 WeakPolarHBondContact O-CZ3 3.32Å; A39-W75 HydrophobicContact CB-CD2 4.34Å; A39-W75 HydrophobicContact CB-CZ2 3.98Å
40	N	93.9	Very high	90.9	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.032	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-44	175.1	-74.8	-18.2	0	0	0	111.5	V21 Q25 D28 P36 V42 H43 I44 W72	V21-N40 HydrophobicContact CG2-CB 3.82Å; Q25-N40 HydrophobicContact CB-CB 4.47Å; Q25-N40 VanDerWaalsContact OE1-CB 3.24Å; D28-N40 PolarHBondContact OD2-ND2 2.95Å; P36-N40 WeakPolarHBondContact O-CB 3.09Å; P36-N40 VanDerWaalsContact O-CG 3.27Å; P36-N40 PolarHBondContact O-N 3.1Å; P36-N40 PolarHBondContact O-ND2 2.68Å; N40-V42 PolarHBondContact O-N 3.04Å; N40-H43 WeakPolarHBondContact O-CB 3.18Å; N40-H43 PolarHBondContact O-N 3.21Å; N40-I44 VanDerWaalsContact O-CG1 3.3Å; N40-I44 WeakPolarHBondContact O-CG1 3.41Å; N40-I44 PolarHBondContact O-N 3.23Å; N40-W72 VanDerWaalsContact OD1-CH2 3.27Å; N40-W72 WeakPolarHBondContact OD1-CH2 3.4Å
41	F	95.4	Very high	91.4	Very high	121 Å²	121	43.2 Å²	43.2	53%	0.531	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-46.4	178	-176.8	-102.2	0	0	0	112.2	I37 L38 H43 I44 I45	I37-F41 WeakPolarHBondContact O-CB 3Å; I37-F41 PolarHBondContact O-N 3.47Å; L38-F41 PolarHBondContact O-N 3.26Å; F41-H43 VanDerWaalsContact C-N 3.34Å; F41-H43 PolarHBondContact O-N 3.19Å; F41-I44 PolarHBondContact O-N 3.44Å; F41-I45 HydrophobicContact CD1-CD1 3.92Å; F41-I45 HydrophobicContact CE1-CD1 3.48Å; F41-I45 VanDerWaalsContact CE1-CD1 3.48Å; F41-I45 HydrophobicContact CZ-CD1 3.9Å; F41-I45 WeakPolarHBondContact O-CG1 3.44Å; F41-I45 PolarHBondContact O-N 3.43Å
42	V	95.9	Very high	92.2	Very high	47 Å²	47	48 Å²	48	29%	0.285	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-39	176.3	-179.1	0	0	0	0	111.1	L38 A39 N40 I45 I46 W68	L38-V42 HydrophobicContact CD1-CG2 4.49Å; L38-V42 WeakPolarHBondContact O-CG2 3.17Å; L38-V42 PolarHBondContact O-N 3.13Å; A39-V42 PolarHBondContact O-N 2.93Å; N40-V42 PolarHBondContact O-N 3.04Å; V42-I45 PolarHBondContact O-N 3.02Å; V42-I46 HydrophobicContact CG1-CD1 3.78Å; V42-I46 WeakPolarHBondContact O-CG1 3.31Å; V42-I46 PolarHBondContact O-N 2.95Å; V42-I46 VanDerWaalsContact O-N 3.09Å; V42-W68 HydrophobicContact CB-CH2 4.16Å; V42-W68 HydrophobicContact CB-CZ2 3.97Å; V42-W68 HydrophobicContact CG1-CH2 3.34Å; V42-W68 HydrophobicContact CG1-CZ2 3.4Å; V42-W68 HydrophobicContact CG1-CZ3 4.12Å
43	H	97.3	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-45.6	175.9	-173.4	76.1	0	0	0	112.3	A39 N40 F41 I45 I46 V47 W68 W72	A39-H43 WeakPolarHBondContact O-CB 3.22Å; A39-H43 PolarHBondContact O-N 2.64Å; N40-H43 WeakPolarHBondContact O-CB 3.18Å; N40-H43 PolarHBondContact O-N 3.21Å; F41-H43 VanDerWaalsContact C-N 3.34Å; F41-H43 PolarHBondContact O-N 3.19Å; H43-I45 VanDerWaalsContact C-N 3.34Å; H43-I45 PolarHBondContact O-N 3.09Å; H43-I46 PolarHBondContact O-N 2.81Å; H43-V47 WeakPolarHBondContact NE2-CG2 3.3Å; H43-V47 WeakPolarHBondContact O-CG2 3.42Å; H43-V47 PolarHBondContact O-N 2.87Å; H43-W68 AromaticContact CG-NE1 3.98Å; H43-W68 AromaticContact ND1-CD1 3.69Å; H43-W68 AromaticContact ND1-NE1 3.34Å; H43-W68 PolarHBondContact ND1-NE1 3.44Å; H43-W72 HydrophobicContact CB-CD2 4.14Å; H43-W72 HydrophobicContact CB-CE3 3.8Å; H43-W72 HydrophobicContact CB-CH2 3.7Å; H43-W72 HydrophobicContact CB-CZ2 4.02Å; H43-W72 HydrophobicContact CB-CZ3 3.58Å; H43-W72 AromaticContact CD2-CE2 3.8Å; H43-W72 AromaticContact CD2-CZ2 3.9Å; H43-W72 AromaticContact CE1-CD1 3.34Å; H43-W72 AromaticContact CE1-CD2 3.68Å; H43-W72 AromaticContact CE1-CE2 3.66Å; H43-W72 AromaticContact CE1-CG 3.48Å; H43-W72 VanDerWaalsContact CE1-CG 3.48Å; H43-W72 AromaticContact CE1-NE1 3.41Å; H43-W72 PolarHBondContact CE1-NE1 3.02Å; H43-W72 AromaticContact CG-CD2 3.65Å; H43-W72 AromaticContact CG-CE2 3.59Å; H43-W72 AromaticContact CG-CE3 3.84Å; H43-W72 AromaticContact CG-CH2 3.97Å; H43-W72 AromaticContact CG-CZ2 3.77Å; H43-W72 AromaticContact ND1-CD1 3.7Å; H43-W72 AromaticContact ND1-CD2 3.2Å; H43-W72 AromaticContact ND1-CE2 3.49Å; H43-W72 AromaticContact ND1-CE3 3.63Å; H43-W72 AromaticContact ND1-CG 3.36Å; H43-W72 AromaticContact ND1-NE1 3.73Å; H43-W72 AromaticContact NE2-CD1 3.97Å; H43-W72 AromaticContact NE2-CE2 3.86Å; H43-W72 AromaticContact NE2-NE1 3.6Å
44	I	96.3	Very high	93.4	Very high	25 Å²	25	40.4 Å²	40.4	13%	0.128	20%	0.2	C	C	.	.	H	α-helix	trans	-55.9	-48.1	176.3	-70.3	162	0	0	0	111	L18 V21 L22 N40 F41 I46 V47 I48	L18-I44 HydrophobicContact CD2-CG2 4.17Å; V21-I44 HydrophobicContact CB-CG1 4.48Å; V21-I44 HydrophobicContact CG1-CD1 4.07Å; V21-I44 HydrophobicContact CG1-CG1 3.39Å; V21-I44 HydrophobicContact CG2-CG1 4.24Å; L22-I44 HydrophobicContact CD2-CD1 3.87Å; N40-I44 VanDerWaalsContact O-CG1 3.3Å; N40-I44 WeakPolarHBondContact O-CG1 3.41Å; N40-I44 PolarHBondContact O-N 3.23Å; F41-I44 PolarHBondContact O-N 3.44Å; I44-I46 VanDerWaalsContact C-N 3.33Å; I44-I46 PolarHBondContact O-N 2.99Å; I44-V47 PolarHBondContact O-N 3.46Å; I44-I48 HydrophobicContact CG2-CD1 3.81Å; I44-I48 VanDerWaalsContact O-CG1 3.29Å; I44-I48 WeakPolarHBondContact O-CG1 3.19Å; I44-I48 PolarHBondContact O-N 2.95Å
45	I	96.6	Very high	93.8	Very high	76 Å²	76	39.6 Å²	39.6	39%	0.39	20%	0.203	S	C	.	.	H	α-helix	trans	-58.3	-47.2	179.3	-67.9	169.3	0	0	0	110.5	F41 V42 H43 I48 L49	F41-I45 HydrophobicContact CD1-CD1 3.92Å; F41-I45 HydrophobicContact CE1-CD1 3.48Å; F41-I45 VanDerWaalsContact CE1-CD1 3.48Å; F41-I45 HydrophobicContact CZ-CD1 3.9Å; F41-I45 WeakPolarHBondContact O-CG1 3.44Å; F41-I45 PolarHBondContact O-N 3.43Å; V42-I45 PolarHBondContact O-N 3.02Å; H43-I45 VanDerWaalsContact C-N 3.34Å; H43-I45 PolarHBondContact O-N 3.09Å; I45-I48 PolarHBondContact O-N 3.4Å; I45-L49 HydrophobicContact CG2-CD1 4.15Å; I45-L49 WeakPolarHBondContact O-CG 3.08Å; I45-L49 PolarHBondContact O-N 3.36Å
46	I	97	Very high	94.1	Very high	33 Å²	33	44.7 Å²	44.7	17%	0.169	23%	0.225	C	C	.	.	H	α-helix	trans	-71.6	-35.1	-175.9	-67.2	169.4	0	0	0	111.8	V42 H43 I44 I48 L49 G50 Y65 W68	V42-I46 HydrophobicContact CG1-CD1 3.78Å; V42-I46 WeakPolarHBondContact O-CG1 3.31Å; V42-I46 PolarHBondContact O-N 2.95Å; V42-I46 VanDerWaalsContact O-N 3.09Å; H43-I46 PolarHBondContact O-N 2.81Å; I44-I46 VanDerWaalsContact C-N 3.33Å; I44-I46 PolarHBondContact O-N 2.99Å; I46-I48 VanDerWaalsContact C-N 3.35Å; I46-L49 PolarHBondContact O-N 3.23Å; I46-G50 PolarHBondContact O-N 3.42Å; I46-Y65 HydrophobicContact CG2-CD2 4.35Å; I46-W68 HydrophobicContact CB-CG 4.09Å; I46-W68 HydrophobicContact CD1-CB 4.19Å; I46-W68 HydrophobicContact CD1-CD2 3.15Å; I46-W68 VanDerWaalsContact CD1-CE2 3.45Å; I46-W68 HydrophobicContact CD1-CE3 3.39Å; I46-W68 HydrophobicContact CD1-CG 3.5Å; I46-W68 VanDerWaalsContact CD1-CG 3.5Å; I46-W68 HydrophobicContact CD1-CH2 4.15Å; I46-W68 HydrophobicContact CD1-CZ2 3.96Å; I46-W68 HydrophobicContact CD1-CZ3 3.88Å; I46-W68 HydrophobicContact CG1-CD2 4.41Å; I46-W68 HydrophobicContact CG1-CG 4.38Å; I46-W68 HydrophobicContact CG2-CB 3.63Å; I46-W68 HydrophobicContact CG2-CD2 4.48Å; I46-W68 HydrophobicContact CG2-CG 3.63Å
47	V	97	Very high	94.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-41.6	173.1	177.2	0	0	0	0	110.6	C14 Q17 L18 H43 I44 G50 L51 Y65	C14-V47 HydrophobicContact CB-CG1 3.98Å; Q17-V47 HydrophobicContact CB-CG1 4.5Å; L18-V47 HydrophobicContact CD1-CG1 4.24Å; L18-V47 HydrophobicContact CD2-CB 3.91Å; L18-V47 HydrophobicContact CD2-CG1 3.74Å; L18-V47 HydrophobicContact CG-CB 4.38Å; L18-V47 HydrophobicContact CG-CG1 3.64Å; H43-V47 WeakPolarHBondContact NE2-CG2 3.3Å; H43-V47 WeakPolarHBondContact O-CG2 3.42Å; H43-V47 PolarHBondContact O-N 2.87Å; I44-V47 PolarHBondContact O-N 3.46Å; V47-G50 PolarHBondContact O-N 3.02Å; V47-L51 WeakPolarHBondContact O-CB 3.35Å; V47-L51 PolarHBondContact O-N 3.2Å; V47-Y65 HydrophobicContact CB-CE2 4.45Å; V47-Y65 HydrophobicContact CG2-CE2 4.01Å
48	I	95.7	Very high	94.1	Very high	65 Å²	65	55.5 Å²	55.5	33%	0.333	26%	0.264	S	S	.	.	H	α-helix	trans	-62.5	-44.2	175	-68.9	167.6	0	0	0	110.9	L18 I44 I45 I46 G50 L51 F52	L18-I48 HydrophobicContact CD1-CG1 4.37Å; L18-I48 HydrophobicContact CD2-CG1 4.15Å; I44-I48 HydrophobicContact CG2-CD1 3.81Å; I44-I48 VanDerWaalsContact O-CG1 3.29Å; I44-I48 WeakPolarHBondContact O-CG1 3.19Å; I44-I48 PolarHBondContact O-N 2.95Å; I45-I48 PolarHBondContact O-N 3.4Å; I46-I48 VanDerWaalsContact C-N 3.35Å; I48-G50 VanDerWaalsContact C-N 3.34Å; I48-G50 PolarHBondContact O-N 3.37Å; I48-L51 WeakPolarHBondContact O-CB 3.34Å; I48-L51 PolarHBondContact O-N 2.92Å; I48-F52 HydrophobicContact CG2-CD2 3.64Å; I48-F52 HydrophobicContact CG2-CE2 3.36Å; I48-F52 HydrophobicContact CG2-CZ 4.44Å; I48-F52 VanDerWaalsContact O-CD2 3.22Å; I48-F52 WeakPolarHBondContact O-CD2 3.42Å; I48-F52 PolarHBondContact O-N 2.88Å
49	L	95.6	Very high	94.1	Very high	74 Å²	74	52.1 Å²	52.1	39%	0.387	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-40.4	174.7	-70.7	175.9	0	0	0	112.1	I45 I46 F52 G53 Y61	I45-L49 HydrophobicContact CG2-CD1 4.15Å; I45-L49 WeakPolarHBondContact O-CG 3.08Å; I45-L49 PolarHBondContact O-N 3.36Å; I46-L49 PolarHBondContact O-N 3.23Å; L49-F52 PolarHBondContact O-N 2.89Å; L49-G53 PolarHBondContact O-N 3.3Å; L49-Y61 HydrophobicContact CB-CD1 4.41Å; L49-Y61 HydrophobicContact CD2-CD1 4.5Å; L49-Y61 HydrophobicContact CD2-CE1 4.36Å
50	G	95.5	Very high	94.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-38.9	174.2	0	0	0	0	0	112.7	I46 V47 I48 G53 T54	I46-G50 PolarHBondContact O-N 3.42Å; V47-G50 PolarHBondContact O-N 3.02Å; I48-G50 VanDerWaalsContact C-N 3.34Å; I48-G50 PolarHBondContact O-N 3.37Å; G50-G53 PolarHBondContact O-N 3.2Å; G50-T54 PolarHBondContact O-N 2.95Å; G50-T54 PolarHBondContact O-OG1 2.85Å
51	L	94.4	Very high	94.2	Very high	38 Å²	38	67.4 Å²	67.4	20%	0.199	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-49.7	174.9	-179.2	66.1	0	0	0	111.2	I11 C14 V47 I48 G53 T54 I55	I11-L51 HydrophobicContact CB-CD1 4.19Å; I11-L51 HydrophobicContact CG1-CD1 3.91Å; I11-L51 HydrophobicContact CG2-CD1 3.93Å; C14-L51 HydrophobicContact CB-CD1 4.41Å; V47-L51 WeakPolarHBondContact O-CB 3.35Å; V47-L51 PolarHBondContact O-N 3.2Å; I48-L51 WeakPolarHBondContact O-CB 3.34Å; I48-L51 PolarHBondContact O-N 2.92Å; L51-G53 VanDerWaalsContact C-N 3.28Å; L51-G53 PolarHBondContact O-N 2.88Å; L51-T54 PolarHBondContact O-N 3.39Å; L51-T54 VanDerWaalsContact O-N 3.15Å; L51-I55 HydrophobicContact CD1-CD1 4.21Å; L51-I55 HydrophobicContact CG-CD1 4.07Å; L51-I55 WeakPolarHBondContact O-CG1 3.43Å; L51-I55 PolarHBondContact O-N 3.25Å
52	F	94.7	Very high	94.2	Very high	105 Å²	105	61.7 Å²	61.7	46%	0.461	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-39.1	174.1	-75.7	-55.9	0	0	0	112	I48 L49 T54 I55 Q56	I48-F52 HydrophobicContact CG2-CD2 3.64Å; I48-F52 HydrophobicContact CG2-CE2 3.36Å; I48-F52 HydrophobicContact CG2-CZ 4.44Å; I48-F52 VanDerWaalsContact O-CD2 3.22Å; I48-F52 WeakPolarHBondContact O-CD2 3.42Å; I48-F52 PolarHBondContact O-N 2.88Å; L49-F52 PolarHBondContact O-N 2.89Å; F52-T54 VanDerWaalsContact C-N 3.29Å; F52-T54 PolarHBondContact O-N 3.41Å; F52-I55 PolarHBondContact O-N 2.9Å; F52-Q56 VanDerWaalsContact O-CB 3.31Å; F52-Q56 WeakPolarHBondContact O-CB 3.5Å; F52-Q56 WeakPolarHBondContact O-CG 3.41Å; F52-Q56 PolarHBondContact O-N 3.42Å
53	G	93	Very high	94.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-41.5	173.7	0	0	0	0	0	113.1	L49 G50 L51 Y57 R58	L49-G53 PolarHBondContact O-N 3.3Å; G50-G53 PolarHBondContact O-N 3.2Å; L51-G53 VanDerWaalsContact C-N 3.28Å; L51-G53 PolarHBondContact O-N 2.88Å; G53-Y57 PolarHBondContact O-N 3.13Å; G53-R58 PolarHBondContact O-N 3.31Å
54	T	92.3	Very high	94.1	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-70.5	-39.7	178.5	-55.6	0	0	0	0	112.2	R7 L10 I11 G50 L51 F52	R7-T54 HydrophobicContact CB-CG2 4.27Å; L10-T54 HydrophobicContact CD2-CG2 4.04Å; L10-T54 WeakPolarHBondContact CD2-OG1 3.31Å; I11-T54 HydrophobicContact CD1-CG2 4.38Å; I11-T54 HydrophobicContact CG1-CG2 4.01Å; G50-T54 PolarHBondContact O-N 2.95Å; G50-T54 PolarHBondContact O-OG1 2.85Å; L51-T54 PolarHBondContact O-N 3.39Å; L51-T54 VanDerWaalsContact O-N 3.15Å; F52-T54 VanDerWaalsContact C-N 3.29Å; F52-T54 PolarHBondContact O-N 3.41Å
55	I	91.6	Very high	94.1	Very high	94 Å²	94	63.4 Å²	63.4	48%	0.482	30%	0.297	S	S	.	.	H	α-helix	trans	-73.3	-38.9	179.4	-65.8	168.7	0	0	0	111.5	I11 L51 F52 Y57	I11-I55 HydrophobicContact CD1-CG1 4.27Å; L51-I55 HydrophobicContact CD1-CD1 4.21Å; L51-I55 HydrophobicContact CG-CD1 4.07Å; L51-I55 WeakPolarHBondContact O-CG1 3.43Å; L51-I55 PolarHBondContact O-N 3.25Å; F52-I55 PolarHBondContact O-N 2.9Å; I55-Y57 WeakPolarHBondContact O-CD2 3.41Å
56	Q	92	Very high	94.1	Very high	114 Å²	114	60.2 Å²	60.2	53%	0.533	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	5.1	-176.5	-63.2	-177.6	16.3	0	0	114.2	F52 R58	F52-Q56 VanDerWaalsContact O-CB 3.31Å; F52-Q56 WeakPolarHBondContact O-CB 3.5Å; F52-Q56 WeakPolarHBondContact O-CG 3.41Å; F52-Q56 PolarHBondContact O-N 3.42Å; Q56-R58 VanDerWaalsContact C-N 3.29Å; Q56-R58 HydrophobicContact CB-CG 4.09Å; Q56-R58 PolarHBondContact O-N 3.11Å
57	Y	87.7	Confident	94.1	Very high	104 Å²	104	63 Å²	63	41%	0.408	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	42.5	-178.4	-62.5	-103	0	0	0	112.9	R7 G53 I55 P59	R7-Y57 PolarHBondContact NH1-OH 2.92Å; R7-Y57 PolarHBondContact NH2-OH 2.69Å; G53-Y57 PolarHBondContact O-N 3.13Å; I55-Y57 WeakPolarHBondContact O-CD2 3.41Å; Y57-P59 WeakPolarHBondContact O-CD 3.28Å
58	R	90.6	Very high	94.2	Very high	151 Å²	151	65.7 Å²	65.7	57%	0.57	31%	0.311	S	S	*	.			trans	-109.3	96.5	179.6	-66.5	-57.7	-167	173.1	0.4	110	G53 Q56 R60 Y61	G53-R58 PolarHBondContact O-N 3.31Å; Q56-R58 VanDerWaalsContact C-N 3.29Å; Q56-R58 HydrophobicContact CB-CG 4.09Å; Q56-R58 PolarHBondContact O-N 3.11Å; R58-R60 PolarHBondContact O-N 3.44Å; R58-R60 VanDerWaalsContact O-N 3.1Å; R58-Y61 HydrophobicContact CB-CD2 3.63Å; R58-Y61 HydrophobicContact CB-CE2 4.18Å; R58-Y61 HydrophobicContact CG-CD2 4.42Å; R58-Y61 PolarHBondContact O-N 3.29Å
59	P	90.6	Very high	94.2	Very high	23 Å²	23	62.7 Å²	62.7	15%	0.149	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-25.3	-170.8	24	-33.6	0	0	0	113.3	Y57 Y61 I62 T63 I172	Y57-P59 WeakPolarHBondContact O-CD 3.28Å; P59-Y61 PolarHBondContact O-N 2.98Å; P59-I62 PolarHBondContact O-N 3.18Å; P59-T63 WeakPolarHBondContact O-CB 3.29Å; P59-T63 PolarHBondContact O-N 2.85Å; P59-T63 PolarHBondContact O-OG1 3.47Å; P59-I172 HydrophobicContact CB-CG2 4.2Å; P59-I172 HydrophobicContact CG-CG2 4.14Å
60	R	93.6	Very high	94.3	Very high	222 Å²	222	62.7 Å²	62.7	84%	0.838	30%	0.298	S	S	*	.	H	α-helix	trans	-61.2	-42	177.6	-64.4	-176.1	-176.2	162.6	2	113.2	R58 T63 G64	R58-R60 PolarHBondContact O-N 3.44Å; R58-R60 VanDerWaalsContact O-N 3.1Å; R60-T63 PolarHBondContact O-N 3.48Å; R60-G64 PolarHBondContact O-N 3.02Å
61	Y	95.7	Very high	94.3	Very high	122 Å²	122	67.2 Å²	67.2	48%	0.478	32%	0.322	S	S	.	.	H	α-helix	trans	-69.2	-38.5	178.2	-71.4	-80.1	0	0	0	111.5	L49 R58 P59 T63 G64 Y65	L49-Y61 HydrophobicContact CB-CD1 4.41Å; L49-Y61 HydrophobicContact CD2-CD1 4.5Å; L49-Y61 HydrophobicContact CD2-CE1 4.36Å; R58-Y61 HydrophobicContact CB-CD2 3.63Å; R58-Y61 HydrophobicContact CB-CE2 4.18Å; R58-Y61 HydrophobicContact CG-CD2 4.42Å; R58-Y61 PolarHBondContact O-N 3.29Å; P59-Y61 PolarHBondContact O-N 2.98Å; Y61-T63 VanDerWaalsContact C-N 3.35Å; Y61-G64 PolarHBondContact O-N 3.35Å; Y61-Y65 WeakPolarHBondContact O-CB 3.37Å; Y61-Y65 PolarHBondContact O-N 3.27Å
62	I	94.9	Very high	94.5	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.2	-38.2	177.6	-49.1	176.2	0	0	0	110.5	L10 P59 Y65 A66 A165 V168 V169 I172	L10-I62 HydrophobicContact CD2-CG2 4.33Å; P59-I62 PolarHBondContact O-N 3.18Å; I62-Y65 WeakPolarHBondContact O-CB 3.35Å; I62-Y65 PolarHBondContact O-N 3.16Å; I62-A66 PolarHBondContact O-N 2.92Å; I62-A165 HydrophobicContact CG2-CB 3.98Å; I62-V168 HydrophobicContact CD1-CG1 3.83Å; I62-V169 HydrophobicContact CB-CG2 3.68Å; I62-V169 HydrophobicContact CG2-CG2 3.5Å; I62-I172 HydrophobicContact CD1-CD1 3.68Å
63	T	95	Very high	94.5	Very high	66 Å²	66	62 Å²	62	41%	0.405	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-44.9	174.4	-55.4	0	0	0	0	111.1	P59 R60 Y61 Y65 A66 V67	P59-T63 WeakPolarHBondContact O-CB 3.29Å; P59-T63 PolarHBondContact O-N 2.85Å; P59-T63 PolarHBondContact O-OG1 3.47Å; R60-T63 PolarHBondContact O-N 3.48Å; Y61-T63 VanDerWaalsContact C-N 3.35Å; T63-Y65 VanDerWaalsContact C-N 3.31Å; T63-Y65 PolarHBondContact O-N 3.25Å; T63-A66 PolarHBondContact O-N 2.97Å; T63-V67 WeakPolarHBondContact O-CG2 3.31Å; T63-V67 PolarHBondContact O-N 3.44Å
64	G	96.3	Very high	94.6	Very high	41 Å²	41	66.2 Å²	66.2	42%	0.423	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-41.2	174.2	0	0	0	0	0	112.6	R60 Y61 V67 W68	R60-G64 PolarHBondContact O-N 3.02Å; Y61-G64 PolarHBondContact O-N 3.35Å; G64-V67 PolarHBondContact O-N 2.98Å; G64-W68 PolarHBondContact O-N 3.2Å
65	Y	97.2	Very high	94.6	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-60.4	-46.2	172.3	168.8	-103.1	0	0	0	112.1	L10 Q17 I46 V47 Y61 I62 T63 V67 W68 L69 A165	L10-Y65 HydrophobicContact CD1-CE1 4.19Å; Q17-Y65 PolarHBondContact NE2-OH 2.93Å; Q17-Y65 PolarHBondContact OE1-OH 3.27Å; I46-Y65 HydrophobicContact CG2-CD2 4.35Å; V47-Y65 HydrophobicContact CB-CE2 4.45Å; V47-Y65 HydrophobicContact CG2-CE2 4.01Å; Y61-Y65 WeakPolarHBondContact O-CB 3.37Å; Y61-Y65 PolarHBondContact O-N 3.27Å; I62-Y65 WeakPolarHBondContact O-CB 3.35Å; I62-Y65 PolarHBondContact O-N 3.16Å; T63-Y65 VanDerWaalsContact C-N 3.31Å; T63-Y65 PolarHBondContact O-N 3.25Å; Y65-V67 PolarHBondContact O-N 3.3Å; Y65-W68 WeakPolarHBondContact O-CB 3.4Å; Y65-W68 PolarHBondContact O-N 2.92Å; Y65-W68 VanDerWaalsContact O-N 3.16Å; Y65-L69 HydrophobicContact CD1-CD1 4.08Å; Y65-L69 HydrophobicContact CD1-CG 4.47Å; Y65-L69 HydrophobicContact CD2-CG 4.42Å; Y65-L69 HydrophobicContact CE1-CD1 3.44Å; Y65-L69 VanDerWaalsContact CE1-CD1 3.44Å; Y65-L69 HydrophobicContact CE1-CG 4.08Å; Y65-L69 HydrophobicContact CE2-CD1 4.22Å; Y65-L69 HydrophobicContact CE2-CD2 3.85Å; Y65-L69 HydrophobicContact CE2-CG 4.02Å; Y65-L69 WeakPolarHBondContact O-CG 3.39Å; Y65-L69 PolarHBondContact O-N 3.43Å; Y65-A165 HydrophobicContact CD1-CB 3.9Å; Y65-A165 HydrophobicContact CE1-CB 3.99Å
66	A	96.3	Very high	94.7	Very high	9 Å²	9	64.8 Å²	64.8	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-41.9	178.2	0	0	0	0	0	112.7	I62 T63 W68 L69 F162 A165	I62-A66 PolarHBondContact O-N 2.92Å; T63-A66 PolarHBondContact O-N 2.97Å; A66-W68 VanDerWaalsContact C-N 3.34Å; A66-L69 PolarHBondContact O-N 3.43Å; A66-F162 HydrophobicContact CB-CD2 4.18Å; A66-F162 HydrophobicContact CB-CE2 4.25Å; A66-F162 WeakPolarHBondContact O-CD2 3.39Å; A66-A165 HydrophobicContact CB-CB 4.14Å
67	V	97.1	Very high	94.8	Very high	90 Å²	90	62.7 Å²	62.7	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-43.5	174.6	173.4	0	0	0	0	110.7	T63 G64 Y65 L69 V70 L71	T63-V67 WeakPolarHBondContact O-CG2 3.31Å; T63-V67 PolarHBondContact O-N 3.44Å; G64-V67 PolarHBondContact O-N 2.98Å; Y65-V67 PolarHBondContact O-N 3.3Å; V67-L69 VanDerWaalsContact C-N 3.33Å; V67-L69 PolarHBondContact O-N 3.01Å; V67-V70 WeakPolarHBondContact O-CB 3.43Å; V67-V70 PolarHBondContact O-N 3.46Å; V67-L71 PolarHBondContact O-N 2.83Å
68	W	97.8	Very high	94.8	Very high	58 Å²	58	60.6 Å²	60.6	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-36.5	177.8	-176.3	-105.2	0	0	0	113	V42 H43 I46 G64 Y65 A66 V70 L71 W72	V42-W68 HydrophobicContact CB-CH2 4.16Å; V42-W68 HydrophobicContact CB-CZ2 3.97Å; V42-W68 HydrophobicContact CG1-CH2 3.34Å; V42-W68 HydrophobicContact CG1-CZ2 3.4Å; V42-W68 HydrophobicContact CG1-CZ3 4.12Å; H43-W68 AromaticContact CG-NE1 3.98Å; H43-W68 AromaticContact ND1-CD1 3.69Å; H43-W68 AromaticContact ND1-NE1 3.34Å; H43-W68 PolarHBondContact ND1-NE1 3.44Å; I46-W68 HydrophobicContact CB-CG 4.09Å; I46-W68 HydrophobicContact CD1-CB 4.19Å; I46-W68 HydrophobicContact CD1-CD2 3.15Å; I46-W68 VanDerWaalsContact CD1-CE2 3.45Å; I46-W68 HydrophobicContact CD1-CE3 3.39Å; I46-W68 HydrophobicContact CD1-CG 3.5Å; I46-W68 VanDerWaalsContact CD1-CG 3.5Å; I46-W68 HydrophobicContact CD1-CH2 4.15Å; I46-W68 HydrophobicContact CD1-CZ2 3.96Å; I46-W68 HydrophobicContact CD1-CZ3 3.88Å; I46-W68 HydrophobicContact CG1-CD2 4.41Å; I46-W68 HydrophobicContact CG1-CG 4.38Å; I46-W68 HydrophobicContact CG2-CB 3.63Å; I46-W68 HydrophobicContact CG2-CD2 4.48Å; I46-W68 HydrophobicContact CG2-CG 3.63Å; G64-W68 PolarHBondContact O-N 3.2Å; Y65-W68 WeakPolarHBondContact O-CB 3.4Å; Y65-W68 PolarHBondContact O-N 2.92Å; Y65-W68 VanDerWaalsContact O-N 3.16Å; A66-W68 VanDerWaalsContact C-N 3.34Å; W68-V70 PolarHBondContact O-N 3.07Å; W68-L71 HydrophobicContact CE3-CB 4.43Å; W68-L71 HydrophobicContact CE3-CD1 3.77Å; W68-L71 HydrophobicContact CZ3-CD1 4.02Å; W68-L71 CarbonylContact O-C 3.47Å; W68-L71 WeakPolarHBondContact O-CB 3.46Å; W68-L71 PolarHBondContact O-N 3.25Å; W68-L71 VanDerWaalsContact O-N 3.07Å; W68-W72 WeakPolarHBondContact O-CB 3.15Å; W68-W72 PolarHBondContact O-N 3.46Å
69	L	97.2	Very high	94.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-33.4	176.3	-72	179.9	0	0	0	112.5	Y65 A66 V67 W72 V73 A158 G161 F162	Y65-L69 HydrophobicContact CD1-CD1 4.08Å; Y65-L69 HydrophobicContact CD1-CG 4.47Å; Y65-L69 HydrophobicContact CD2-CG 4.42Å; Y65-L69 HydrophobicContact CE1-CD1 3.44Å; Y65-L69 VanDerWaalsContact CE1-CD1 3.44Å; Y65-L69 HydrophobicContact CE1-CG 4.08Å; Y65-L69 HydrophobicContact CE2-CD1 4.22Å; Y65-L69 HydrophobicContact CE2-CD2 3.85Å; Y65-L69 HydrophobicContact CE2-CG 4.02Å; Y65-L69 WeakPolarHBondContact O-CG 3.39Å; Y65-L69 PolarHBondContact O-N 3.43Å; A66-L69 PolarHBondContact O-N 3.43Å; V67-L69 VanDerWaalsContact C-N 3.33Å; V67-L69 PolarHBondContact O-N 3.01Å; L69-W72 WeakPolarHBondContact O-CB 3.44Å; L69-W72 PolarHBondContact O-N 2.64Å; L69-V73 WeakPolarHBondContact O-CG2 3.29Å; L69-V73 PolarHBondContact O-N 2.85Å; L69-A158 HydrophobicContact CD2-CB 4.1Å; L69-G161 VanDerWaalsContact CD1-C 3.46Å; L69-F162 HydrophobicContact CB-CB 4.46Å; L69-F162 HydrophobicContact CD1-CB 3.92Å
70	V	96.9	Very high	94.5	Very high	75 Å²	75	54.2 Å²	54.2	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-44.5	174.4	179.9	0	0	0	0	110.9	V67 W68 W72 V73 T74 F162	V67-V70 WeakPolarHBondContact O-CB 3.43Å; V67-V70 PolarHBondContact O-N 3.46Å; W68-V70 PolarHBondContact O-N 3.07Å; V70-W72 VanDerWaalsContact C-N 3.27Å; V70-W72 PolarHBondContact O-N 2.79Å; V70-V73 PolarHBondContact O-N 3.3Å; V70-T74 PolarHBondContact O-N 3.35Å; V70-T74 PolarHBondContact O-OG1 3.3Å; V70-F162 HydrophobicContact CG2-CD2 4.18Å; V70-F162 HydrophobicContact CG2-CE2 3.83Å
71	L	96	Very high	94.2	Very high	95 Å²	95	46 Å²	46	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-38	174	-62.9	175.5	0	0	0	111.1	V67 W68 T74 W75	V67-L71 PolarHBondContact O-N 2.83Å; W68-L71 HydrophobicContact CE3-CB 4.43Å; W68-L71 HydrophobicContact CE3-CD1 3.77Å; W68-L71 HydrophobicContact CZ3-CD1 4.02Å; W68-L71 CarbonylContact O-C 3.47Å; W68-L71 WeakPolarHBondContact O-CB 3.46Å; W68-L71 PolarHBondContact O-N 3.25Å; W68-L71 VanDerWaalsContact O-N 3.07Å; L71-T74 WeakPolarHBondContact O-CB 3.4Å; L71-T74 PolarHBondContact O-N 2.98Å; L71-W75 PolarHBondContact O-N 3.24Å
72	W	97.1	Very high	93.5	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-66.5	-43.2	178.5	-169.1	-115.9	0	0	0	113	V21 A39 N40 H43 W68 L69 V70 T74 W75 N76	V21-W72 HydrophobicContact CG2-CZ2 4.34Å; A39-W72 HydrophobicContact CB-CZ3 4.02Å; A39-W72 WeakPolarHBondContact O-CZ3 3.32Å; N40-W72 VanDerWaalsContact OD1-CH2 3.27Å; N40-W72 WeakPolarHBondContact OD1-CH2 3.4Å; H43-W72 HydrophobicContact CB-CD2 4.14Å; H43-W72 HydrophobicContact CB-CE3 3.8Å; H43-W72 HydrophobicContact CB-CH2 3.7Å; H43-W72 HydrophobicContact CB-CZ2 4.02Å; H43-W72 HydrophobicContact CB-CZ3 3.58Å; H43-W72 AromaticContact CD2-CE2 3.8Å; H43-W72 AromaticContact CD2-CZ2 3.9Å; H43-W72 AromaticContact CE1-CD1 3.34Å; H43-W72 AromaticContact CE1-CD2 3.68Å; H43-W72 AromaticContact CE1-CE2 3.66Å; H43-W72 AromaticContact CE1-CG 3.48Å; H43-W72 VanDerWaalsContact CE1-CG 3.48Å; H43-W72 AromaticContact CE1-NE1 3.41Å; H43-W72 PolarHBondContact CE1-NE1 3.02Å; H43-W72 AromaticContact CG-CD2 3.65Å; H43-W72 AromaticContact CG-CE2 3.59Å; H43-W72 AromaticContact CG-CE3 3.84Å; H43-W72 AromaticContact CG-CH2 3.97Å; H43-W72 AromaticContact CG-CZ2 3.77Å; H43-W72 AromaticContact ND1-CD1 3.7Å; H43-W72 AromaticContact ND1-CD2 3.2Å; H43-W72 AromaticContact ND1-CE2 3.49Å; H43-W72 AromaticContact ND1-CE3 3.63Å; H43-W72 AromaticContact ND1-CG 3.36Å; H43-W72 AromaticContact ND1-NE1 3.73Å; H43-W72 AromaticContact NE2-CD1 3.97Å; H43-W72 AromaticContact NE2-CE2 3.86Å; H43-W72 AromaticContact NE2-NE1 3.6Å; W68-W72 WeakPolarHBondContact O-CB 3.15Å; W68-W72 PolarHBondContact O-N 3.46Å; L69-W72 WeakPolarHBondContact O-CB 3.44Å; L69-W72 PolarHBondContact O-N 2.64Å; V70-W72 VanDerWaalsContact C-N 3.27Å; V70-W72 PolarHBondContact O-N 2.79Å; W72-T74 VanDerWaalsContact C-N 3.31Å; W72-W75 AromaticContact CZ3-CD1 3.9Å; W72-W75 PolarHBondContact O-N 3.44Å; W72-N76 VanDerWaalsContact CE2-ND2 3.28Å; W72-N76 PolarHBondContact NE1-ND2 3.48Å; W72-N76 PolarHBondContact O-N 3.07Å; W72-N76 PolarHBondContact O-ND2 3.06Å
73	V	96.5	Very high	92.8	Very high	30 Å²	30	41.4 Å²	41.4	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-45.1	172.8	170	0	0	0	0	109.8	L69 V70 W75 N76 V77 I155 A158 L159	L69-V73 WeakPolarHBondContact O-CG2 3.29Å; L69-V73 PolarHBondContact O-N 2.85Å; V70-V73 PolarHBondContact O-N 3.3Å; V73-W75 VanDerWaalsContact C-N 3.32Å; V73-W75 PolarHBondContact O-N 2.89Å; V73-N76 PolarHBondContact O-N 3.17Å; V73-V77 HydrophobicContact CG1-CG2 4.25Å; V73-V77 VanDerWaalsContact O-CG2 3.31Å; V73-V77 WeakPolarHBondContact O-CG2 3.2Å; V73-V77 PolarHBondContact O-N 2.88Å; V73-I155 HydrophobicContact CG1-CG2 4.36Å; V73-A158 HydrophobicContact CG2-CB 3.66Å; V73-L159 HydrophobicContact CG2-CD2 4.36Å
74	T	93.8	Very high	92.2	Very high	87 Å²	87	42.6 Å²	42.6	53%	0.534	24%	0.239	S	C	.	.	H	α-helix	trans	-58.7	-44.8	178.2	-53.5	0	0	0	0	111.3	V70 L71 W72 V77 F78	V70-T74 PolarHBondContact O-N 3.35Å; V70-T74 PolarHBondContact O-OG1 3.3Å; L71-T74 WeakPolarHBondContact O-CB 3.4Å; L71-T74 PolarHBondContact O-N 2.98Å; W72-T74 VanDerWaalsContact C-N 3.31Å; T74-V77 PolarHBondContact O-N 3.41Å; T74-F78 PolarHBondContact O-N 2.78Å
75	W	93.6	Very high	91.3	Very high	64 Å²	64	45.2 Å²	45.2	24%	0.242	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-46.7	175	178.3	-104.8	0	0	0	112.4	A35 A39 L71 W72 V73 V77 F78 V79	A35-W75 HydrophobicContact CB-CH2 4.13Å; A35-W75 HydrophobicContact CB-CZ2 4.47Å; A39-W75 HydrophobicContact CB-CD2 4.34Å; A39-W75 HydrophobicContact CB-CZ2 3.98Å; L71-W75 PolarHBondContact O-N 3.24Å; W72-W75 AromaticContact CZ3-CD1 3.9Å; W72-W75 PolarHBondContact O-N 3.44Å; V73-W75 VanDerWaalsContact C-N 3.32Å; V73-W75 PolarHBondContact O-N 2.89Å; W75-V77 PolarHBondContact O-N 3.26Å; W75-F78 HydrophobicContact CE3-CD1 4.37Å; W75-F78 HydrophobicContact CZ3-CD1 4.23Å; W75-F78 HydrophobicContact CZ3-CE1 4.43Å; W75-F78 WeakPolarHBondContact O-CB 3.27Å; W75-F78 PolarHBondContact O-N 3.09Å; W75-V79 HydrophobicContact CZ2-CG2 4.42Å; W75-V79 WeakPolarHBondContact O-CG2 3.34Å; W75-V79 PolarHBondContact O-N 3.23Å
76	N	93.9	Very high	90	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-68	-34	179.7	-79.2	-89.3	0	0	0	112.7	W72 V73 V79 I80 Q154 I155	W72-N76 VanDerWaalsContact CE2-ND2 3.28Å; W72-N76 PolarHBondContact NE1-ND2 3.48Å; W72-N76 PolarHBondContact O-N 3.07Å; W72-N76 PolarHBondContact O-ND2 3.06Å; V73-N76 PolarHBondContact O-N 3.17Å; N76-V79 PolarHBondContact O-N 3.26Å; N76-I80 VanDerWaalsContact O-CG1 3.3Å; N76-I80 WeakPolarHBondContact O-CG1 3.35Å; N76-I80 PolarHBondContact O-N 3.08Å; N76-Q154 WeakPolarHBondContact OD1-CB 3.47Å; N76-I155 HydrophobicContact CB-CD1 3.83Å; N76-I155 HydrophobicContact CB-CG1 3.52Å
77	V	92.2	Very high	88.4	Confident	70 Å²	70	50.1 Å²	50.1	42%	0.424	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-44.7	172.3	170.6	0	0	0	0	110.2	V73 T74 W75 V79 I80 C81 I155	V73-V77 HydrophobicContact CG1-CG2 4.25Å; V73-V77 VanDerWaalsContact O-CG2 3.31Å; V73-V77 WeakPolarHBondContact O-CG2 3.2Å; V73-V77 PolarHBondContact O-N 2.88Å; T74-V77 PolarHBondContact O-N 3.41Å; W75-V77 PolarHBondContact O-N 3.26Å; V77-V79 VanDerWaalsContact C-N 3.33Å; V77-V79 PolarHBondContact O-N 2.78Å; V77-I80 PolarHBondContact O-N 3.33Å; V77-C81 PolarHBondContact O-N 3.4Å; V77-C81 PolarHBondContact O-SG 3.28Å; V77-C81 VanDerWaalsContact O-SG 3.39Å; V77-I155 HydrophobicContact CG2-CD1 3.86Å
78	F	88.7	Confident	86.8	Confident	60 Å²	60	53.3 Å²	53.3	26%	0.263	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-45.1	174.4	173.6	-101	0	0	0	111.9	T74 W75 I80 C81 F82 L89 T93 L97	T74-F78 PolarHBondContact O-N 2.78Å; W75-F78 HydrophobicContact CE3-CD1 4.37Å; W75-F78 HydrophobicContact CZ3-CD1 4.23Å; W75-F78 HydrophobicContact CZ3-CE1 4.43Å; W75-F78 WeakPolarHBondContact O-CB 3.27Å; W75-F78 PolarHBondContact O-N 3.09Å; F78-I80 PolarHBondContact O-N 3.33Å; F78-C81 PolarHBondContact O-N 3.02Å; F78-F82 WeakPolarHBondContact O-CB 3.34Å; F78-F82 PolarHBondContact O-N 3.41Å; F78-L89 HydrophobicContact CE2-CD2 4.08Å; F78-T93 HydrophobicContact CE2-CG2 4.39Å; F78-T93 HydrophobicContact CZ-CG2 3.71Å; F78-L97 HydrophobicContact CE1-CD1 4.44Å
79	V	86.9	Confident	84.9	Confident	10 Å²	10	53.3 Å²	53.3	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-44.1	175.3	172	0	0	0	0	111.4	W75 N76 V77 F82 Y83 S151	W75-V79 HydrophobicContact CZ2-CG2 4.42Å; W75-V79 WeakPolarHBondContact O-CG2 3.34Å; W75-V79 PolarHBondContact O-N 3.23Å; N76-V79 PolarHBondContact O-N 3.26Å; V77-V79 VanDerWaalsContact C-N 3.33Å; V77-V79 PolarHBondContact O-N 2.78Å; V79-F82 WeakPolarHBondContact O-CB 3.47Å; V79-F82 PolarHBondContact O-N 2.82Å; V79-Y83 HydrophobicContact CG1-CD2 3.65Å; V79-Y83 HydrophobicContact CG1-CE2 3.7Å; V79-Y83 VanDerWaalsContact O-CD2 3.3Å; V79-Y83 WeakPolarHBondContact O-CD2 3.47Å; V79-Y83 PolarHBondContact O-N 3.33Å; V79-S151 WeakPolarHBondContact CG1-OG 3.47Å
80	I	88.1	Confident	83	Confident	30 Å²	30	56.2 Å²	56.2	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-46.2	177.1	-69	167.3	0	0	0	111	N76 V77 F78 F82 Y83 L84 V148 I155	N76-I80 VanDerWaalsContact O-CG1 3.3Å; N76-I80 WeakPolarHBondContact O-CG1 3.35Å; N76-I80 PolarHBondContact O-N 3.08Å; V77-I80 PolarHBondContact O-N 3.33Å; F78-I80 PolarHBondContact O-N 3.33Å; I80-F82 VanDerWaalsContact C-N 3.28Å; I80-F82 PolarHBondContact O-N 3.45Å; I80-Y83 PolarHBondContact O-N 2.88Å; I80-L84 HydrophobicContact CG2-CD1 3.71Å; I80-L84 HydrophobicContact CG2-CG 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.17Å; I80-L84 WeakPolarHBondContact O-CG 3.34Å; I80-L84 PolarHBondContact O-N 3.14Å; I80-V148 HydrophobicContact CG1-CG1 4.35Å; I80-V148 HydrophobicContact CG2-CG1 4.17Å; I80-V148 HydrophobicContact CG2-CG2 4.47Å; I80-I155 HydrophobicContact CD1-CD1 3.54Å
81	C	87	Confident	80.8	Confident	48 Å²	48	61.1 Å²	61.1	32%	0.324	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-38.4	177.7	-69.5	0	0	0	0	112	V77 F78 E85 A86	V77-C81 PolarHBondContact O-N 3.4Å; V77-C81 PolarHBondContact O-SG 3.28Å; V77-C81 VanDerWaalsContact O-SG 3.39Å; F78-C81 PolarHBondContact O-N 3.02Å; C81-E85 PolarHBondContact O-N 3.09Å; C81-A86 HydrophobicContact CB-CB 4.23Å; C81-A86 PolarHBondContact O-N 3.41Å
82	F	81.4	Confident	78.7	Confident	16 Å²	16	64.2 Å²	64.2	7%	0.07	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-50.8	175.4	178.4	-103	0	0	0	111.7	F78 V79 I80 L84 E85 T93 L97 H104	F78-F82 WeakPolarHBondContact O-CB 3.34Å; F78-F82 PolarHBondContact O-N 3.41Å; V79-F82 WeakPolarHBondContact O-CB 3.47Å; V79-F82 PolarHBondContact O-N 2.82Å; I80-F82 VanDerWaalsContact C-N 3.28Å; I80-F82 PolarHBondContact O-N 3.45Å; F82-L84 VanDerWaalsContact C-N 3.35Å; F82-L84 PolarHBondContact O-N 2.86Å; F82-E85 PolarHBondContact O-N 2.9Å; F82-E85 VanDerWaalsContact O-N 3.16Å; F82-T93 HydrophobicContact CD2-CG2 3.29Å; F82-T93 HydrophobicContact CE2-CG2 3.54Å; F82-T93 HydrophobicContact CG-CG2 4.33Å; F82-L97 HydrophobicContact CD1-CD2 4.07Å; F82-L97 HydrophobicContact CE1-CD2 3.74Å; F82-L97 HydrophobicContact CZ-CB 4.49Å; F82-L97 HydrophobicContact CZ-CD2 4.48Å; F82-H104 AromaticContact CE1-CD2 3.97Å; F82-H104 AromaticContact CE1-NE2 3.98Å
83	Y	80.3	Confident	76.8	Confident	11 Å²	11	64.4 Å²	64.4	4%	0.043	36%	0.355	C	S	.	.	H	α-helix	trans	-68.3	-30.2	-179.7	-85.4	-77.4	0	0	0	114.4	Q33 V79 I80 E85 H104 Y143 Q144 E147	Q33-Y83 PolarHBondContact NE2-OH 3.47Å; V79-Y83 HydrophobicContact CG1-CD2 3.65Å; V79-Y83 HydrophobicContact CG1-CE2 3.7Å; V79-Y83 VanDerWaalsContact O-CD2 3.3Å; V79-Y83 WeakPolarHBondContact O-CD2 3.47Å; V79-Y83 PolarHBondContact O-N 3.33Å; I80-Y83 PolarHBondContact O-N 2.88Å; Y83-E85 VanDerWaalsContact C-N 3.26Å; Y83-H104 AromaticContact CE1-CE1 3.68Å; Y83-H104 AromaticContact CZ-CE1 3.64Å; Y83-H104 AromaticContact CZ-NE2 3.75Å; Y83-H104 PolarHBondContact OH-CE1 3.36Å; Y83-H104 VanDerWaalsContact OH-CE1 3.26Å; Y83-H104 PolarHBondContact OH-NE2 3.39Å; Y83-Y143 HydrophobicContact CE1-CD2 4.44Å; Y83-Y143 HydrophobicContact CE1-CE2 4.46Å; Y83-Q144 HydrophobicContact CD1-CB 4.41Å; Y83-Q144 HydrophobicContact CD1-CG 4.37Å; Y83-E147 HydrophobicContact CD1-CB 3.96Å; Y83-E147 HydrophobicContact CD1-CG 4.41Å; Y83-E147 HydrophobicContact CD2-CB 3.9Å; Y83-E147 HydrophobicContact CE1-CB 3.68Å; Y83-E147 HydrophobicContact CE1-CG 3.68Å; Y83-E147 HydrophobicContact CE2-CB 3.64Å; Y83-E147 HydrophobicContact CE2-CG 4.09Å; Y83-E147 HydrophobicContact CG-CB 4.06Å; Y83-E147 VanDerWaalsContact CZ-CG 3.49Å; Y83-E147 WeakPolarHBondContact OH-CG 3.46Å
84	L	83.2	Confident	74.8	Confident	90 Å²	90	66.3 Å²	66.3	47%	0.471	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	2	175.5	-67.9	-179.8	0	0	0	113.2	I80 F82 A86 V148	I80-L84 HydrophobicContact CG2-CD1 3.71Å; I80-L84 HydrophobicContact CG2-CG 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.17Å; I80-L84 WeakPolarHBondContact O-CG 3.34Å; I80-L84 PolarHBondContact O-N 3.14Å; F82-L84 VanDerWaalsContact C-N 3.35Å; F82-L84 PolarHBondContact O-N 2.86Å; L84-A86 HydrophobicContact CB-CB 4.46Å; L84-A86 PolarHBondContact O-N 3.26Å; L84-A86 VanDerWaalsContact O-N 3.14Å; L84-V148 HydrophobicContact CD2-CG2 4.08Å; L84-V148 HydrophobicContact CG-CG2 4.02Å
85	E	76.2	Confident	73	Confident	96 Å²	96	66.2 Å²	66.2	45%	0.449	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	38	-174.8	-156.3	70.3	-125.3	0	0	111.4	C81 F82 Y83 G87 S90	C81-E85 PolarHBondContact O-N 3.09Å; F82-E85 PolarHBondContact O-N 2.9Å; F82-E85 VanDerWaalsContact O-N 3.16Å; Y83-E85 VanDerWaalsContact C-N 3.26Å; E85-G87 PolarHBondContact O-N 3.36Å; E85-S90 WeakPolarHBondContact OE1-CA 3.45Å; E85-S90 WeakPolarHBondContact OE1-CB 3.44Å; E85-S90 PolarHBondContact OE1-N 3.22Å
86	A	70.3	Confident	71.3	Confident	57 Å²	57	67.5 Å²	67.5	47%	0.471	37%	0.37	S	S	.	.			trans	-77.3	86.7	-174.8	0	0	0	0	0	109.8	C81 L84	C81-A86 HydrophobicContact CB-CB 4.23Å; C81-A86 PolarHBondContact O-N 3.41Å; L84-A86 HydrophobicContact CB-CB 4.46Å; L84-A86 PolarHBondContact O-N 3.26Å; L84-A86 VanDerWaalsContact O-N 3.14Å
87	G	63.1	Low	69.6	Low	58 Å²	58	67.4 Å²	67.4	60%	0.598	37%	0.37	S	S	*	.	S	Bend	trans	120.7	-162.5	178.9	0	0	0	0	0	113	E85 L89	E85-G87 PolarHBondContact O-N 3.36Å; G87-L89 PolarHBondContact O-N 3.16Å
88	D	63.2	Low	68	Low	156 Å²	156	64.3 Å²	64.3	83%	0.834	35%	0.351	S	S	*	.	S	Bend	trans	-87.6	32.9	179.3	-159.3	17.1	0	0	0	112.3	S90	D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3Å
89	L	56.4	Low	66.4	Low	58 Å²	58	67 Å²	67	30%	0.304	36%	0.363	S	S	.	.			trans	-86	17.7	-170.3	-95.2	79.4	0	0	0	114.5	F78 G87 K91 T93	F78-L89 HydrophobicContact CE2-CD2 4.08Å; G87-L89 PolarHBondContact O-N 3.16Å; L89-K91 PolarHBondContact O-N 3.34Å; L89-T93 HydrophobicContact CD2-CG2 4.21Å; L89-T93 VanDerWaalsContact O-CB 3.22Å; L89-T93 WeakPolarHBondContact O-CB 3.32Å; L89-T93 PolarHBondContact O-OG1 3.43Å
90	S	57.8	Low	64.9	Low	63 Å²	63	72.4 Å²	72.4	44%	0.441	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.1	-161.3	63.1	0	0	0	0	118.3	E85 D88	E85-S90 WeakPolarHBondContact OE1-CA 3.45Å; E85-S90 WeakPolarHBondContact OE1-CB 3.44Å; E85-S90 PolarHBondContact OE1-N 3.22Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3Å
91	K	50.5	Low	63.2	Low	178 Å²	178	76.4 Å²	76.4	77%	0.774	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-38.6	-174.8	-89.5	-178.9	175.1	167.9	0	115.9	L89	L89-K91 PolarHBondContact O-N 3.34Å
92	E	52.8	Low	61.3	Low	160 Å²	160	76.1 Å²	76.1	75%	0.748	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-17.2	178.8	-65.3	-169.3	170.7	0	0	112.5	L95	E92-L95 WeakPolarHBondContact O-CB 3.33Å; E92-L95 PolarHBondContact O-N 2.93Å
93	T	56.6	Low	60	Low	8 Å²	8	80.8 Å²	80.8	5%	0.049	43%	0.434	C	S	.	.	H	α-helix	trans	-87.4	-27.1	-171.9	-40.9	0	0	0	0	113.5	F78 F82 L89 L95 I96 L97	F78-T93 HydrophobicContact CE2-CG2 4.39Å; F78-T93 HydrophobicContact CZ-CG2 3.71Å; F82-T93 HydrophobicContact CD2-CG2 3.29Å; F82-T93 HydrophobicContact CE2-CG2 3.54Å; F82-T93 HydrophobicContact CG-CG2 4.33Å; L89-T93 HydrophobicContact CD2-CG2 4.21Å; L89-T93 VanDerWaalsContact O-CB 3.22Å; L89-T93 WeakPolarHBondContact O-CB 3.32Å; L89-T93 PolarHBondContact O-OG1 3.43Å; T93-L95 PolarHBondContact O-N 3.5Å; T93-I96 HydrophobicContact CG2-CB 4.4Å; T93-I96 HydrophobicContact CG2-CD1 4.36Å; T93-I96 WeakPolarHBondContact O-CA 3.49Å; T93-I96 WeakPolarHBondContact O-CB 3.42Å; T93-I96 PolarHBondContact O-N 3.18Å; T93-L97 PolarHBondContact O-N 3.38Å
94	D	55.8	Low	58.8	Low	69 Å²	69	81.4 Å²	81.4	37%	0.369	44%	0.437	S	S	.	.	H	α-helix	trans	-50.7	-40.2	166.1	-85.4	-16.4	0	0	0	110.8	I96 L97 T98	D94-I96 VanDerWaalsContact C-N 3.32Å; D94-I96 PolarHBondContact O-N 3.14Å; D94-L97 PolarHBondContact O-N 3.35Å; D94-T98 PolarHBondContact O-N 3.42Å; D94-T98 PolarHBondContact O-OG1 3.32Å
95	L	55.5	Low	57.9	Low	86 Å²	86	80.7 Å²	80.7	45%	0.45	43%	0.428	S	S	.	.	H	α-helix	trans	-62	-35.5	176.2	-119.4	140.1	0	0	0	112.7	E92 T93 F99 N100	E92-L95 WeakPolarHBondContact O-CB 3.33Å; E92-L95 PolarHBondContact O-N 2.93Å; T93-L95 PolarHBondContact O-N 3.5Å; L95-F99 CarbonylContact O-C 3.58Å; L95-F99 WeakPolarHBondContact O-CA 3.09Å; L95-F99 PolarHBondContact O-N 3.01Å; L95-N100 HydrophobicContact CD2-CB 3.53Å; L95-N100 HydrophobicContact CG-CB 4.15Å; L95-N100 PolarHBondContact O-N 3.04Å
96	I	57.5	Low	57.4	Low	91 Å²	91	76.2 Å²	76.2	47%	0.467	41%	0.407	S	S	.	.	H	α-helix	trans	-76.7	-41.6	-179.8	-62.1	173.4	0	0	0	110.7	T93 D94 T98	T93-I96 HydrophobicContact CG2-CB 4.4Å; T93-I96 HydrophobicContact CG2-CD1 4.36Å; T93-I96 WeakPolarHBondContact O-CA 3.49Å; T93-I96 WeakPolarHBondContact O-CB 3.42Å; T93-I96 PolarHBondContact O-N 3.18Å; D94-I96 VanDerWaalsContact C-N 3.32Å; D94-I96 PolarHBondContact O-N 3.14Å; I96-T98 VanDerWaalsContact C-N 3.33Å; I96-T98 PolarHBondContact O-N 3.01Å
97	L	57.9	Low	57.7	Low	1 Å²	1	77.2 Å²	77.2	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-73.6	-26.8	-175.7	-142.2	80.4	0	0	0	113.1	A35 P36 F78 F82 T93 D94 H104	A35-L97 WeakPolarHBondContact CB-O 3.49Å; A35-L97 PolarHBondContact N-O 2.92Å; P36-L97 HydrophobicContact CG-CD1 4.43Å; P36-L97 HydrophobicContact CG-CD2 4.2Å; P36-L97 HydrophobicContact CG-CG 4.13Å; F78-L97 HydrophobicContact CE1-CD1 4.44Å; F82-L97 HydrophobicContact CD1-CD2 4.07Å; F82-L97 HydrophobicContact CE1-CD2 3.74Å; F82-L97 HydrophobicContact CZ-CB 4.49Å; F82-L97 HydrophobicContact CZ-CD2 4.48Å; T93-L97 PolarHBondContact O-N 3.38Å; D94-L97 PolarHBondContact O-N 3.35Å; L97-H104 WeakPolarHBondContact CD2-CD2 3.47Å; L97-H104 WeakPolarHBondContact CD2-NE2 3.4Å
98	T	58.4	Low	58.3	Low	4 Å²	4	76.5 Å²	76.5	3%	0.025	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	6.8	-179	68	0	0	0	0	113.9	D94 I96 N100 I101 S102 H104	D94-T98 PolarHBondContact O-N 3.42Å; D94-T98 PolarHBondContact O-OG1 3.32Å; I96-T98 VanDerWaalsContact C-N 3.33Å; I96-T98 PolarHBondContact O-N 3.01Å; T98-N100 PolarHBondContact O-N 3.4Å; T98-I101 WeakPolarHBondContact O-CB 3.42Å; T98-I101 WeakPolarHBondContact O-CG1 3.48Å; T98-I101 PolarHBondContact O-N 3.09Å; T98-S102 WeakPolarHBondContact CB-O 3.3Å; T98-S102 VanDerWaalsContact CG2-O 3.22Å; T98-S102 WeakPolarHBondContact CG2-O 3.41Å; T98-S102 PolarHBondContact OG1-O 3.25Å; T98-H104 HydrophobicContact CG2-CB 4.21Å
99	F	55.9	Low	58.5	Low	118 Å²	118	70.8 Å²	70.8	52%	0.518	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	31.7	-174.5	-71.6	-73	0	0	0	113.9	W34 A35 L95 I101	W34-F99 HydrophobicContact CB-CD2 4.07Å; A35-F99 HydrophobicContact CB-CD2 4.24Å; A35-F99 HydrophobicContact CB-CE2 3.78Å; A35-F99 HydrophobicContact CB-CZ 4.35Å; L95-F99 CarbonylContact O-C 3.58Å; L95-F99 WeakPolarHBondContact O-CA 3.09Å; L95-F99 PolarHBondContact O-N 3.01Å; F99-I101 HydrophobicContact CB-CD1 3.76Å; F99-I101 HydrophobicContact CB-CG1 3.85Å; F99-I101 VanDerWaalsContact O-CG1 3.29Å; F99-I101 WeakPolarHBondContact O-CG1 3.19Å; F99-I101 PolarHBondContact O-N 2.87Å; F99-I101 VanDerWaalsContact O-N 3.16Å
100	N	55.7	Low	59.1	Low	122 Å²	122	71.6 Å²	71.6	65%	0.652	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	14.9	-172.8	-155.7	10.8	0	0	0	114.5	L95 T98	L95-N100 HydrophobicContact CD2-CB 3.53Å; L95-N100 HydrophobicContact CG-CB 4.15Å; L95-N100 PolarHBondContact O-N 3.04Å; T98-N100 PolarHBondContact O-N 3.4Å
101	I	52.4	Low	60	Low	115 Å²	115	72.5 Å²	72.5	59%	0.59	35%	0.349	S	S	*	.	S	Bend	trans	-92.7	-32.1	-174.3	-46.4	173.3	0	0	0	110.6	W34 T98 F99	W34-I101 HydrophobicContact CG-CD1 4.41Å; T98-I101 WeakPolarHBondContact O-CB 3.42Å; T98-I101 WeakPolarHBondContact O-CG1 3.48Å; T98-I101 PolarHBondContact O-N 3.09Å; F99-I101 HydrophobicContact CB-CD1 3.76Å; F99-I101 HydrophobicContact CB-CG1 3.85Å; F99-I101 VanDerWaalsContact O-CG1 3.29Å; F99-I101 WeakPolarHBondContact O-CG1 3.19Å; F99-I101 PolarHBondContact O-N 2.87Å; F99-I101 VanDerWaalsContact O-N 3.16Å
102	S	47.4	Very low	61.1	Low	42 Å²	42	64.4 Å²	64.4	29%	0.294	32%	0.316	S	S	.	.	S	Bend	trans	-148.4	159.5	-176.7	54	0	0	0	0	112.7	T98	T98-S102 WeakPolarHBondContact CB-O 3.3Å; T98-S102 VanDerWaalsContact CG2-O 3.22Å; T98-S102 WeakPolarHBondContact CG2-O 3.41Å; T98-S102 PolarHBondContact OG1-O 3.25Å
103	M	52.5	Low	62.2	Low	113 Å²	113	59.4 Å²	59.4	56%	0.557	30%	0.297	S	S	*	.			trans	-72.2	137.5	168	-166.7	-175.4	177.7	0	0	109.2	R105	M103-R105 PolarHBondContact O-N 3.38Å; M103-R105 VanDerWaalsContact O-N 3.09Å
104	H	55.2	Low	63.1	Low	24 Å²	24	61.5 Å²	61.5	11%	0.111	32%	0.32	C	S	.	.			trans	-60.9	111.9	178.2	-176.5	-82.7	0	0	0	111	Q33 F82 Y83 L97 T98	Q33-H104 PolarHBondContact NE2-CE1 3.43Å; Q33-H104 VanDerWaalsContact NE2-CE1 3.35Å; Q33-H104 PolarHBondContact NE2-NE2 2.98Å; F82-H104 AromaticContact CE1-CD2 3.97Å; F82-H104 AromaticContact CE1-NE2 3.98Å; Y83-H104 AromaticContact CE1-CE1 3.68Å; Y83-H104 AromaticContact CZ-CE1 3.64Å; Y83-H104 AromaticContact CZ-NE2 3.75Å; Y83-H104 PolarHBondContact OH-CE1 3.36Å; Y83-H104 VanDerWaalsContact OH-CE1 3.26Å; Y83-H104 PolarHBondContact OH-NE2 3.39Å; L97-H104 WeakPolarHBondContact CD2-CD2 3.47Å; L97-H104 WeakPolarHBondContact CD2-NE2 3.4Å; T98-H104 HydrophobicContact CG2-CB 4.21Å
105	R	63.9	Low	64	Low	76 Å²	76	59.4 Å²	59.4	29%	0.287	31%	0.311	S	S	.	.			trans	-130.3	107.6	170.7	-65.8	-164.9	-158.4	170.4	12.3	110.1	G31 M103 M109 E110	G31-R105 CarbonylContact C-O 3.43Å; G31-R105 WeakPolarHBondContact CA-O 3.22Å; M103-R105 PolarHBondContact O-N 3.38Å; M103-R105 VanDerWaalsContact O-N 3.09Å; R105-M109 HydrophobicContact CB-CE 4.13Å; R105-M109 HydrophobicContact CG-CE 3.69Å; R105-E110 IonicContact NH1-OE1 3.25Å; R105-E110 PolarHBondContact NH1-OE1 2.94Å
106	S	67	Low	64.7	Low	1 Å²	1	59.4 Å²	59.4	1%	0.007	31%	0.314	C	S	.	.			trans	-67.2	140.1	163.9	57.1	0	0	0	0	109.1	W108 M109 Y143	S106-W108 PolarHBondContact O-N 3.47Å; S106-W108 VanDerWaalsContact O-N 3.17Å; S106-M109 WeakPolarHBondContact O-CB 3.14Å; S106-M109 PolarHBondContact O-N 3.31Å; S106-M109 PolarHBondContact OG-N 2.8Å; S106-Y143 WeakPolarHBondContact OG-CD2 3.38Å
107	W	76.2	Confident	65.2	Low	78 Å²	78	58.6 Å²	58.6	30%	0.295	31%	0.314	S	S	.	.	H	α-helix	trans	-55.5	-33	172.6	-179.7	83.3	0	0	0	112.4	F27 L30 M109 E110 N111	F27-W107 HydrophobicContact CD1-CD2 4.49Å; F27-W107 AromaticContact CD1-CE3 3.98Å; F27-W107 HydrophobicContact CD1-CE3 3.98Å; F27-W107 HydrophobicContact CD1-CZ3 4.43Å; F27-W107 HydrophobicContact CE1-CE3 4.07Å; F27-W107 HydrophobicContact CE1-CZ3 4.05Å; L30-W107 HydrophobicContact CB-CB 3.89Å; L30-W107 HydrophobicContact CB-CG 3.81Å; L30-W107 HydrophobicContact CD1-CD2 4.39Å; L30-W107 HydrophobicContact CD1-CG 4.23Å; W107-M109 PolarHBondContact O-N 3.34Å; W107-E110 PolarHBondContact O-N 2.61Å; W107-E110 VanDerWaalsContact O-N 3.17Å; W107-N111 HydrophobicContact CD2-CB 4.11Å; W107-N111 HydrophobicContact CE3-CB 4.09Å; W107-N111 HydrophobicContact CH2-CB 3.5Å; W107-N111 HydrophobicContact CZ2-CB 3.51Å; W107-N111 HydrophobicContact CZ3-CB 3.8Å; W107-N111 PolarHBondContact NE1-ND2 2.93Å; W107-N111 VanDerWaalsContact NE1-ND2 3.11Å; W107-N111 PolarHBondContact O-N 3.04Å; W107-N111 VanDerWaalsContact O-N 3.1Å
108	W	75	Confident	65.5	Low	44 Å²	44	61.6 Å²	61.6	17%	0.167	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-18.5	173.6	-63	112.1	0	0	0	114.6	F27 S106 G112 I146 E147	F27-W108 HydrophobicContact CD1-CZ2 4.15Å; F27-W108 HydrophobicContact CD2-CZ2 4.24Å; F27-W108 HydrophobicContact CE1-CH2 4.29Å; F27-W108 AromaticContact CE1-CZ2 3.83Å; F27-W108 HydrophobicContact CE1-CZ2 3.83Å; F27-W108 AromaticContact CE2-CZ2 3.91Å; F27-W108 HydrophobicContact CE2-CZ2 3.91Å; F27-W108 HydrophobicContact CG-CZ2 4.37Å; F27-W108 HydrophobicContact CZ-CH2 4.15Å; F27-W108 AromaticContact CZ-CZ2 3.7Å; F27-W108 HydrophobicContact CZ-CZ2 3.7Å; S106-W108 PolarHBondContact O-N 3.47Å; S106-W108 VanDerWaalsContact O-N 3.17Å; W108-G112 WeakPolarHBondContact O-CA 3.49Å; W108-G112 PolarHBondContact O-N 3.44Å; W108-I146 HydrophobicContact CB-CD1 4.32Å; W108-I146 HydrophobicContact CD2-CD1 3.98Å; W108-I146 HydrophobicContact CD2-CG2 3.83Å; W108-I146 HydrophobicContact CE3-CD1 3.78Å; W108-I146 HydrophobicContact CE3-CG2 4.48Å; W108-I146 HydrophobicContact CG-CB 4.45Å; W108-I146 HydrophobicContact CG-CD1 4.23Å; W108-I146 HydrophobicContact CG-CG2 3.96Å; W108-I146 HydrophobicContact CZ2-CG2 4.16Å; W108-I146 HydrophobicContact CZ3-CD1 4.39Å; W108-E147 VanDerWaalsContact CD1-OE1 3.26Å
109	M	67.8	Low	65.5	Low	36 Å²	36	64.3 Å²	64.3	18%	0.177	35%	0.351	C	S	.	.	H	α-helix	trans	-67.3	-41.7	174.8	-170.5	179	75.6	0	0	110.4	R105 S106 W107 V136 Y143	R105-M109 HydrophobicContact CB-CE 4.13Å; R105-M109 HydrophobicContact CG-CE 3.69Å; S106-M109 WeakPolarHBondContact O-CB 3.14Å; S106-M109 PolarHBondContact O-N 3.31Å; S106-M109 PolarHBondContact OG-N 2.8Å; W107-M109 PolarHBondContact O-N 3.34Å; M109-V136 HydrophobicContact CG-CG2 4.31Å; M109-V136 VanDerWaalsContact O-CG2 3.32Å; M109-V136 WeakPolarHBondContact O-CG2 3.46Å; M109-Y143 HydrophobicContact CB-CD1 4.38Å; M109-Y143 HydrophobicContact CB-CG 4.28Å; M109-Y143 HydrophobicContact CG-CD1 4.26Å; M109-Y143 HydrophobicContact CG-CE1 4.4Å
110	E	69.4	Low	65.7	Low	74 Å²	74	61 Å²	61	35%	0.346	34%	0.341	S	S	.	.	H	α-helix	trans	-88.4	-30.3	-178.3	-63.8	-177.2	-177	0	0	112.3	R105 W107 V117	R105-E110 IonicContact NH1-OE1 3.25Å; R105-E110 PolarHBondContact NH1-OE1 2.94Å; W107-E110 PolarHBondContact O-N 2.61Å; W107-E110 VanDerWaalsContact O-N 3.17Å; E110-V117 WeakPolarHBondContact O-CG2 3.4Å
111	N	75.6	Confident	65.6	Low	83 Å²	83	60.9 Å²	60.9	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-117.6	22.7	-174.1	-63.7	-72.5	0	0	0	114.1	W107	W107-N111 HydrophobicContact CD2-CB 4.11Å; W107-N111 HydrophobicContact CE3-CB 4.09Å; W107-N111 HydrophobicContact CH2-CB 3.5Å; W107-N111 HydrophobicContact CZ2-CB 3.51Å; W107-N111 HydrophobicContact CZ3-CB 3.8Å; W107-N111 PolarHBondContact NE1-ND2 2.93Å; W107-N111 VanDerWaalsContact NE1-ND2 3.11Å; W107-N111 PolarHBondContact O-N 3.04Å; W107-N111 VanDerWaalsContact O-N 3.1Å
112	G	73.8	Confident	65.6	Low	7 Å²	7	61 Å²	61	7%	0.072	35%	0.353	C	S	.	.			trans	-61.5	151.3	-178.8	0	0	0	0	0	113.3	W108 G114 C115	W108-G112 WeakPolarHBondContact O-CA 3.49Å; W108-G112 PolarHBondContact O-N 3.44Å; G112-G114 PolarHBondContact O-N 3.46Å; G112-C115 WeakPolarHBondContact CA-SG 3.27Å; G112-C115 VanDerWaalsContact O-CB 3.29Å; G112-C115 WeakPolarHBondContact O-CB 3.4Å; G112-C115 PolarHBondContact O-N 2.86Å; G112-C115 VanDerWaalsContact O-N 3.12Å; G112-C115 PolarHBondContact O-SG 3.42Å; G112-C115 VanDerWaalsContact O-SG 3.42Å
113	P	75.8	Confident	65.9	Low	55 Å²	55	61.8 Å²	61.8	36%	0.357	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	121.9	-176.7	26.5	-34.1	0	0	0	111.6	C115 L140 L141 I146	P113-C115 PolarHBondContact O-N 3.3Å; P113-L140 PolarHBondContact O-N 3Å; P113-L141 HydrophobicContact CG-CB 4.04Å; P113-I146 HydrophobicContact CG-CD1 4.32Å
114	G	75.5	Confident	66.1	Low	52 Å²	52	58.1 Å²	58.1	54%	0.536	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	1.6	-179.3	0	0	0	0	0	114.6	G112 G138	G112-G114 PolarHBondContact O-N 3.46Å; G114-G138 CarbonylContact O-C 3.57Å
115	C	74.6	Confident	66.2	Low	26 Å²	26	65.3 Å²	65.3	18%	0.176	39%	0.386	C	S	.	.			trans	-71.7	137.3	-178.2	-64.5	0	0	0	0	112.1	G112 P113 V136 C139	G112-C115 WeakPolarHBondContact CA-SG 3.27Å; G112-C115 VanDerWaalsContact O-CB 3.29Å; G112-C115 WeakPolarHBondContact O-CB 3.4Å; G112-C115 PolarHBondContact O-N 2.86Å; G112-C115 VanDerWaalsContact O-N 3.12Å; G112-C115 PolarHBondContact O-SG 3.42Å; G112-C115 VanDerWaalsContact O-SG 3.42Å; P113-C115 PolarHBondContact O-N 3.3Å; C115-V136 HydrophobicContact CB-CG1 3.5Å; C115-C139 HydrophobicContact CB-CB 4.24Å; C115-C139 WeakPolarHBondContact CB-SG 3.5Å; C115-C139 VanDerWaalsContact SG-CA 3.58Å; C115-C139 WeakPolarHBondContact SG-CB 3.42Å; C115-C139 CovalentContact SG-SG 2.03Å; C115-C139 PolarHBondContact SG-SG 3.4Å
116	T	71.4	Confident	66.2	Low	85 Å²	85	72.1 Å²	72.1	52%	0.521	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.9	165.7	59.8	0	0	0	0	109.5	T118 S137	T116-T118 PolarHBondContact O-N 3.01Å; T116-S137 PolarHBondContact N-O 3.45Å; T116-S137 PolarHBondContact O-N 3.09Å; T116-S137 VanDerWaalsContact O-N 3.11Å; T116-S137 PolarHBondContact OG1-O 3.23Å
117	V	67.1	Low	65.4	Low	74 Å²	74	73 Å²	73	45%	0.448	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.6	179.1	178.6	0	0	0	0	108	E110 I134	E110-V117 WeakPolarHBondContact O-CG2 3.4Å; V117-I134 HydrophobicContact CG1-CD1 4.47Å; V117-I134 HydrophobicContact CG1-CG2 3.45Å; V117-I134 VanDerWaalsContact CG1-CG2 3.45Å
118	T	64	Low	64.3	Low	64 Å²	64	73.1 Å²	73.1	39%	0.393	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.9	170.3	50.7	0	0	0	0	109.1	T116 V120 T135	T116-T118 PolarHBondContact O-N 3.01Å; T118-V120 PolarHBondContact O-N 2.94Å; T118-T135 PolarHBondContact N-O 3.44Å; T118-T135 PolarHBondContact O-N 3.27Å; T118-T135 VanDerWaalsContact O-O 3.09Å; T118-T135 PolarHBondContact OG1-O 3.33Å; T118-T135 PolarHBondContact OG1-OG1 3.35Å
119	S	59.8	Low	63	Low	61 Å²	61	80.7 Å²	80.7	43%	0.427	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.4	166.1	58.7	0	0	0	0	107
120	V	59.2	Low	62.1	Low	49 Å²	49	86.3 Å²	86.3	30%	0.297	50%	0.498	S	S	.	.			trans	-73.4	136.9	173.3	-171.1	0	0	0	0	106.6	T118 Y133 T135	T118-V120 PolarHBondContact O-N 2.94Å; V120-Y133 VanDerWaalsContact C-CZ 3.4Å; V120-Y133 HydrophobicContact CB-CD2 3.56Å; V120-Y133 HydrophobicContact CB-CE1 4.23Å; V120-Y133 HydrophobicContact CB-CE2 3.07Å; V120-Y133 HydrophobicContact CB-CG 4.38Å; V120-Y133 WeakPolarHBondContact CB-OH 3.29Å; V120-Y133 HydrophobicContact CG1-CD2 3.97Å; V120-Y133 HydrophobicContact CG1-CE2 3.1Å; V120-Y133 VanDerWaalsContact CG1-OH 3.29Å; V120-Y133 WeakPolarHBondContact CG1-OH 3.42Å; V120-Y133 HydrophobicContact CG2-CD2 4.04Å; V120-Y133 HydrophobicContact CG2-CE2 3.99Å; V120-Y133 PolarHBondContact N-O 2.91Å; V120-Y133 WeakPolarHBondContact O-CE1 3.44Å; V120-Y133 PolarHBondContact O-OH 3.31Å; V120-T135 HydrophobicContact CG2-CG2 3.5Å; V120-T135 WeakPolarHBondContact CG2-OG1 3.12Å
121	T	53.6	Low	61	Low	120 Å²	120	86.2 Å²	86.2	74%	0.736	50%	0.497	S	S	*	.	S	Bend	trans	-133.6	129.7	172.5	37.3	0	0	0	0	107.8	Y133	T121-Y133 VanDerWaalsContact CA-OH 3.25Å; T121-Y133 WeakPolarHBondContact CA-OH 3.28Å; T121-Y133 PolarHBondContact N-OH 3.03Å; T121-Y133 VanDerWaalsContact N-OH 3.1Å
122	P	52.7	Low	59.6	Low	117 Å²	117	90.9 Å²	90.9	76%	0.76	51%	0.509	S	S	*	.	S	Bend	cis	-98.3	155.7	1.3	37.3	-31.1	0	0	0	114.4	Y133	P122-Y133 WeakPolarHBondContact CA-OH 3.25Å; P122-Y133 PolarHBondContact O-OH 3.46Å
123	A	53.4	Low	58.6	Low	59 Å²	59	93.1 Å²	93.1	49%	0.488	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-47.1	134.7	-175.8	0	0	0	0	0	112.7	D125 Y133	A123-D125 PolarHBondContact O-N 3.44Å; A123-Y133 WeakPolarHBondContact CA-OH 3.45Å; A123-Y133 HydrophobicContact CB-CD1 4.33Å; A123-Y133 HydrophobicContact CB-CE1 3.83Å; A123-Y133 PolarHBondContact N-OH 2.95Å; A123-Y133 VanDerWaalsContact N-OH 3.09Å
124	P	57.8	Low	57.8	Low	36 Å²	36	92.3 Å²	92.3	23%	0.234	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-62.8	139.8	175.7	-13	29.8	0	0	0	108.4	W126 A127 Y133	P124-W126 HydrophobicContact CB-CD2 4.27Å; P124-W126 HydrophobicContact CB-CG 4.29Å; P124-W126 HydrophobicContact CB-CZ2 4.15Å; P124-W126 VanDerWaalsContact CB-NE1 3.26Å; P124-W126 HydrophobicContact CG-CZ2 4.11Å; P124-W126 PolarHBondContact O-N 2.84Å; P124-A127 VanDerWaalsContact O-CB 3.3Å; P124-A127 WeakPolarHBondContact O-CB 3.33Å; P124-A127 PolarHBondContact O-N 2.85Å; P124-Y133 HydrophobicContact CG-CD2 3.74Å; P124-Y133 HydrophobicContact CG-CE2 3.65Å; P124-Y133 HydrophobicContact CG-CG 4.36Å
125	D	56.6	Low	56.9	Low	175 Å²	175	93.1 Å²	93.1	94%	0.936	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.2	-175	-63.7	-36.5	0	0	0	114.6	A123	A123-D125 PolarHBondContact O-N 3.44Å
126	W	63.1	Low	56.2	Low	218 Å²	218	93.9 Å²	93.9	83%	0.826	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.8	176.3	59.2	-96.9	0	0	0	113.9	P124	P124-W126 HydrophobicContact CB-CD2 4.27Å; P124-W126 HydrophobicContact CB-CG 4.29Å; P124-W126 HydrophobicContact CB-CZ2 4.15Å; P124-W126 VanDerWaalsContact CB-NE1 3.26Å; P124-W126 HydrophobicContact CG-CZ2 4.11Å; P124-W126 PolarHBondContact O-N 2.84Å
127	A	51	Low	55.6	Low	20 Å²	20	93 Å²	93	17%	0.165	50%	0.503	C	S	.	.	S	Bend	trans	-83.6	130	-176.9	0	0	0	0	0	110.8	P124 E129	P124-A127 VanDerWaalsContact O-CB 3.3Å; P124-A127 WeakPolarHBondContact O-CB 3.33Å; P124-A127 PolarHBondContact O-N 2.85Å; A127-E129 PolarHBondContact O-N 3.41Å
128	P	52.9	Low	55.4	Low	81 Å²	81	92.5 Å²	92.5	53%	0.526	51%	0.514	S	S	.	.			trans	-60.4	138.1	170.9	-13.8	25.5	0	0	0	110.1	D130 H131	P128-D130 PolarHBondContact O-N 2.82Å; P128-H131 PolarHBondContact O-N 3.2Å; P128-H131 PolarHBondContact O-ND1 3.25Å
129	E	48.7	Very low	55.7	Low	203 Å²	203	91.3 Å²	91.3	95%	0.949	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-22.1	-170.2	-68	-155	156.3	0	0	115.1	A127 H131	A127-E129 PolarHBondContact O-N 3.41Å; E129-H131 PolarHBondContact O-N 2.88Å
130	D	48.2	Very low	56.2	Low	154 Å²	154	95.8 Å²	95.8	82%	0.824	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	1.5	179.7	-68.9	-40.4	0	0	0	115.1	P128	P128-D130 PolarHBondContact O-N 2.82Å
131	H	46	Very low	56.6	Low	71 Å²	71	97.2 Å²	97.2	33%	0.329	53%	0.531	S	S	.	.			trans	-105.8	101.8	-175.6	-64.4	77.1	0	0	0	112.5	P128 E129 Y133	P128-H131 PolarHBondContact O-N 3.2Å; P128-H131 PolarHBondContact O-ND1 3.25Å; E129-H131 PolarHBondContact O-N 2.88Å; H131-Y133 VanDerWaalsContact C-N 3.32Å; H131-Y133 PolarHBondContact O-N 3.23Å
132	R	47.1	Very low	57.6	Low	181 Å²	181	96.1 Å²	96.1	68%	0.683	52%	0.518	S	S	*	.			trans	-70.4	88.8	166.4	-149.9	180	-160.8	179.5	4.7	109.2	I134	R132-I134 HydrophobicContact CG-CG1 4.47Å; R132-I134 PolarHBondContact O-N 2.93Å
133	Y	52.4	Low	58.7	Low	54 Å²	54	93.8 Å²	93.8	21%	0.212	49%	0.494	C	S	.	.			trans	-63.7	117.1	167.7	68.8	-55.2	0	0	0	109.6	V120 T121 P122 A123 P124 H131	V120-Y133 VanDerWaalsContact C-CZ 3.4Å; V120-Y133 HydrophobicContact CB-CD2 3.56Å; V120-Y133 HydrophobicContact CB-CE1 4.23Å; V120-Y133 HydrophobicContact CB-CE2 3.07Å; V120-Y133 HydrophobicContact CB-CG 4.38Å; V120-Y133 WeakPolarHBondContact CB-OH 3.29Å; V120-Y133 HydrophobicContact CG1-CD2 3.97Å; V120-Y133 HydrophobicContact CG1-CE2 3.1Å; V120-Y133 VanDerWaalsContact CG1-OH 3.29Å; V120-Y133 WeakPolarHBondContact CG1-OH 3.42Å; V120-Y133 HydrophobicContact CG2-CD2 4.04Å; V120-Y133 HydrophobicContact CG2-CE2 3.99Å; V120-Y133 PolarHBondContact N-O 2.91Å; V120-Y133 WeakPolarHBondContact O-CE1 3.44Å; V120-Y133 PolarHBondContact O-OH 3.31Å; T121-Y133 VanDerWaalsContact CA-OH 3.25Å; T121-Y133 WeakPolarHBondContact CA-OH 3.28Å; T121-Y133 PolarHBondContact N-OH 3.03Å; T121-Y133 VanDerWaalsContact N-OH 3.1Å; P122-Y133 WeakPolarHBondContact CA-OH 3.25Å; P122-Y133 PolarHBondContact O-OH 3.46Å; A123-Y133 WeakPolarHBondContact CA-OH 3.45Å; A123-Y133 HydrophobicContact CB-CD1 4.33Å; A123-Y133 HydrophobicContact CB-CE1 3.83Å; A123-Y133 PolarHBondContact N-OH 2.95Å; A123-Y133 VanDerWaalsContact N-OH 3.09Å; P124-Y133 HydrophobicContact CG-CD2 3.74Å; P124-Y133 HydrophobicContact CG-CE2 3.65Å; P124-Y133 HydrophobicContact CG-CG 4.36Å; H131-Y133 VanDerWaalsContact C-N 3.32Å; H131-Y133 PolarHBondContact O-N 3.23Å
134	I	59.5	Low	59.9	Low	38 Å²	38	93.7 Å²	93.7	20%	0.195	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.2	-178.8	-68.6	169.1	0	0	0	105.6	V117 R132 V136	V117-I134 HydrophobicContact CG1-CD1 4.47Å; V117-I134 HydrophobicContact CG1-CG2 3.45Å; V117-I134 VanDerWaalsContact CG1-CG2 3.45Å; R132-I134 HydrophobicContact CG-CG1 4.47Å; R132-I134 PolarHBondContact O-N 2.93Å; I134-V136 HydrophobicContact CG2-CG2 4.01Å
135	T	56.7	Low	61.1	Low	70 Å²	70	97.9 Å²	97.9	43%	0.429	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.6	167.5	49.8	0	0	0	0	108.1	T118 V120	T118-T135 PolarHBondContact N-O 3.44Å; T118-T135 PolarHBondContact O-N 3.27Å; T118-T135 VanDerWaalsContact O-O 3.09Å; T118-T135 PolarHBondContact OG1-O 3.33Å; T118-T135 PolarHBondContact OG1-OG1 3.35Å; V120-T135 HydrophobicContact CG2-CG2 3.5Å; V120-T135 WeakPolarHBondContact CG2-OG1 3.12Å
136	V	59.9	Low	62.5	Low	41 Å²	41	90.3 Å²	90.3	25%	0.248	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122	178.9	-169.3	0	0	0	0	107.1	M109 C115 I134 C139	M109-V136 HydrophobicContact CG-CG2 4.31Å; M109-V136 VanDerWaalsContact O-CG2 3.32Å; M109-V136 WeakPolarHBondContact O-CG2 3.46Å; C115-V136 HydrophobicContact CB-CG1 3.5Å; I134-V136 HydrophobicContact CG2-CG2 4.01Å; V136-C139 WeakPolarHBondContact CG1-SG 3.45Å
137	S	58.3	Low	63.6	Low	66 Å²	66	80.2 Å²	80.2	46%	0.462	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.8	-178.7	-67.6	0	0	0	0	110.5	T116	T116-S137 PolarHBondContact N-O 3.45Å; T116-S137 PolarHBondContact O-N 3.09Å; T116-S137 VanDerWaalsContact O-N 3.11Å; T116-S137 PolarHBondContact OG1-O 3.23Å
138	G	63	Low	65.4	Low	65 Å²	65	80.4 Å²	80.4	67%	0.67	42%	0.416	S	S	*	.			trans	81.5	16.1	174.1	0	0	0	0	0	116.1	G114	G114-G138 CarbonylContact O-C 3.57Å
139	C	69.5	Low	67.2	Low	39 Å²	39	79 Å²	79	26%	0.264	41%	0.412	S	S	.	.			trans	-61.8	135.7	175.1	-62.4	0	0	0	0	111.8	C115 V136 L141	C115-C139 HydrophobicContact CB-CB 4.24Å; C115-C139 WeakPolarHBondContact CB-SG 3.5Å; C115-C139 VanDerWaalsContact SG-CA 3.58Å; C115-C139 WeakPolarHBondContact SG-CB 3.42Å; C115-C139 CovalentContact SG-SG 2.03Å; C115-C139 PolarHBondContact SG-SG 3.4Å; V136-C139 WeakPolarHBondContact CG1-SG 3.45Å; C139-L141 VanDerWaalsContact C-N 3.34Å
140	L	70.5	Confident	69.2	Low	154 Å²	154	71 Å²	71	81%	0.806	37%	0.374	S	S	*	.	S	Bend	trans	-72.1	-33.7	170.2	-74	171.3	0	0	0	111.6	P113	P113-L140 PolarHBondContact O-N 3Å
141	L	67.7	Low	71.3	Confident	79 Å²	79	63.6 Å²	63.6	41%	0.414	34%	0.335	S	S	.	.	S	Bend	trans	-139	120.6	176.8	-173.4	64.3	0	0	0	107.8	P113 C139 Y145 I146	P113-L141 HydrophobicContact CG-CB 4.04Å; C139-L141 VanDerWaalsContact C-N 3.34Å; L141-Y145 HydrophobicContact CD1-CD2 4.46Å; L141-Y145 HydrophobicContact CD1-CG 4.33Å; L141-I146 HydrophobicContact CD2-CD1 4.14Å; L141-I146 HydrophobicContact CD2-CG1 3.46Å; L141-I146 VanDerWaalsContact CD2-CG1 3.46Å; L141-I146 HydrophobicContact CG-CD1 4.38Å; L141-I146 HydrophobicContact CG-CG1 3.83Å
142	E	74.4	Confident	73.6	Confident	97 Å²	97	62.9 Å²	62.9	45%	0.453	34%	0.337	S	S	.	.			trans	-68.8	147.6	178.9	-56.1	173.8	-161.9	0	0	110.3	Q144 Y145 I146	E142-Q144 PolarHBondContact O-N 3.19Å; E142-Q144 VanDerWaalsContact O-N 3.13Å; E142-Y145 HydrophobicContact CB-CD2 3.88Å; E142-Y145 HydrophobicContact CB-CE2 4.26Å; E142-Y145 HydrophobicContact CG-CD2 4.44Å; E142-Y145 HydrophobicContact CG-CE2 4.44Å; E142-Y145 PolarHBondContact O-N 3.46Å; E142-I146 PolarHBondContact O-N 3.37Å
143	Y	75.4	Confident	75.9	Confident	69 Å²	69	57.9 Å²	57.9	27%	0.271	32%	0.324	S	S	.	.	H	α-helix	trans	-55	-33.6	-178.5	69.4	-87.3	0	0	0	112.5	Y83 S106 M109 Y145 I146 E147	Y83-Y143 HydrophobicContact CE1-CD2 4.44Å; Y83-Y143 HydrophobicContact CE1-CE2 4.46Å; S106-Y143 WeakPolarHBondContact OG-CD2 3.38Å; M109-Y143 HydrophobicContact CB-CD1 4.38Å; M109-Y143 HydrophobicContact CB-CG 4.28Å; M109-Y143 HydrophobicContact CG-CD1 4.26Å; M109-Y143 HydrophobicContact CG-CE1 4.4Å; Y143-Y145 PolarHBondContact O-N 2.86Å; Y143-I146 PolarHBondContact O-N 2.8Å; Y143-E147 WeakPolarHBondContact O-CG 3.47Å; Y143-E147 PolarHBondContact O-N 2.93Å; Y143-E147 VanDerWaalsContact O-N 3.14Å
144	Q	79.8	Confident	77.9	Confident	57 Å²	57	55.5 Å²	55.5	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-44.4	177.7	-62.4	-179.1	-13.9	0	0	111.9	Y83 E142 I146 E147 V148	Y83-Q144 HydrophobicContact CD1-CB 4.41Å; Y83-Q144 HydrophobicContact CD1-CG 4.37Å; E142-Q144 PolarHBondContact O-N 3.19Å; E142-Q144 VanDerWaalsContact O-N 3.13Å; Q144-I146 PolarHBondContact O-N 3.44Å; Q144-E147 PolarHBondContact O-N 3.32Å; Q144-V148 VanDerWaalsContact O-CG2 3.26Å; Q144-V148 WeakPolarHBondContact O-CG2 3.43Å; Q144-V148 PolarHBondContact O-N 3.41Å
145	Y	83.4	Confident	79.7	Confident	124 Å²	124	54.9 Å²	54.9	49%	0.486	31%	0.311	S	S	.	.	H	α-helix	trans	-70.1	-32.6	-179.7	-66.7	-72	0	0	0	112.6	L141 E142 Y143 E147 A149	L141-Y145 HydrophobicContact CD1-CD2 4.46Å; L141-Y145 HydrophobicContact CD1-CG 4.33Å; E142-Y145 HydrophobicContact CB-CD2 3.88Å; E142-Y145 HydrophobicContact CB-CE2 4.26Å; E142-Y145 HydrophobicContact CG-CD2 4.44Å; E142-Y145 HydrophobicContact CG-CE2 4.44Å; E142-Y145 PolarHBondContact O-N 3.46Å; Y143-Y145 PolarHBondContact O-N 2.86Å; Y145-E147 VanDerWaalsContact C-N 3.35Å; Y145-A149 WeakPolarHBondContact O-CB 3.43Å; Y145-A149 PolarHBondContact O-N 3.04Å
146	I	85.8	Confident	81.6	Confident	16 Å²	16	56 Å²	56	8%	0.082	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-47.1	175.1	-63.8	173.3	0	0	0	109.4	W108 P113 L141 E142 Y143 Q144 A149 H150	W108-I146 HydrophobicContact CB-CD1 4.32Å; W108-I146 HydrophobicContact CD2-CD1 3.98Å; W108-I146 HydrophobicContact CD2-CG2 3.83Å; W108-I146 HydrophobicContact CE3-CD1 3.78Å; W108-I146 HydrophobicContact CE3-CG2 4.48Å; W108-I146 HydrophobicContact CG-CB 4.45Å; W108-I146 HydrophobicContact CG-CD1 4.23Å; W108-I146 HydrophobicContact CG-CG2 3.96Å; W108-I146 HydrophobicContact CZ2-CG2 4.16Å; W108-I146 HydrophobicContact CZ3-CD1 4.39Å; P113-I146 HydrophobicContact CG-CD1 4.32Å; L141-I146 HydrophobicContact CD2-CD1 4.14Å; L141-I146 HydrophobicContact CD2-CG1 3.46Å; L141-I146 VanDerWaalsContact CD2-CG1 3.46Å; L141-I146 HydrophobicContact CG-CD1 4.38Å; L141-I146 HydrophobicContact CG-CG1 3.83Å; E142-I146 PolarHBondContact O-N 3.37Å; Y143-I146 PolarHBondContact O-N 2.8Å; Q144-I146 PolarHBondContact O-N 3.44Å; I146-A149 WeakPolarHBondContact O-CB 3.46Å; I146-A149 PolarHBondContact O-N 3.29Å; I146-H150 PolarHBondContact O-CD2 3.32Å; I146-H150 PolarHBondContact O-N 2.88Å
147	E	86.2	Confident	83.3	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.023	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-40.2	179.9	-68.7	-65.9	169.7	0	0	112.9	R24 Y83 W108 Y143 Q144 Y145 A149 H150 S151	R24-E147 IonicContact CZ-OE2 2.85Å; R24-E147 PolarHBondContact NH2-O 3Å; R24-E147 IonicContact NH2-OE2 3.65Å; R24-E147 PolarHBondContact NH2-OE2 3.33Å; Y83-E147 HydrophobicContact CD1-CB 3.96Å; Y83-E147 HydrophobicContact CD1-CG 4.41Å; Y83-E147 HydrophobicContact CD2-CB 3.9Å; Y83-E147 HydrophobicContact CE1-CB 3.68Å; Y83-E147 HydrophobicContact CE1-CG 3.68Å; Y83-E147 HydrophobicContact CE2-CB 3.64Å; Y83-E147 HydrophobicContact CE2-CG 4.09Å; Y83-E147 HydrophobicContact CG-CB 4.06Å; Y83-E147 VanDerWaalsContact CZ-CG 3.49Å; Y83-E147 WeakPolarHBondContact OH-CG 3.46Å; W108-E147 VanDerWaalsContact CD1-OE1 3.26Å; Y143-E147 WeakPolarHBondContact O-CG 3.47Å; Y143-E147 PolarHBondContact O-N 2.93Å; Y143-E147 VanDerWaalsContact O-N 3.14Å; Q144-E147 PolarHBondContact O-N 3.32Å; Y145-E147 VanDerWaalsContact C-N 3.35Å; E147-A149 VanDerWaalsContact C-N 3.33Å; E147-H150 PolarHBondContact O-N 3.37Å; E147-S151 WeakPolarHBondContact O-CB 3.38Å; E147-S151 PolarHBondContact O-N 2.88Å; E147-S151 PolarHBondContact O-OG 2.82Å; E147-S151 VanDerWaalsContact O-OG 3.06Å
148	V	88.6	Confident	85.1	Confident	25 Å²	25	52.1 Å²	52.1	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-41.7	171.9	171.1	0	0	0	0	110.8	I80 L84 Q144 S151 S152	I80-V148 HydrophobicContact CG1-CG1 4.35Å; I80-V148 HydrophobicContact CG2-CG1 4.17Å; I80-V148 HydrophobicContact CG2-CG2 4.47Å; L84-V148 HydrophobicContact CD2-CG2 4.08Å; L84-V148 HydrophobicContact CG-CG2 4.02Å; Q144-V148 VanDerWaalsContact O-CG2 3.26Å; Q144-V148 WeakPolarHBondContact O-CG2 3.43Å; Q144-V148 PolarHBondContact O-N 3.41Å; V148-S151 PolarHBondContact O-N 3.2Å; V148-S152 WeakPolarHBondContact O-CB 3.47Å; V148-S152 PolarHBondContact O-N 3.39Å
149	A	90.3	Very high	86.7	Confident	52 Å²	52	53.2 Å²	53.2	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-47.2	178.2	0	0	0	0	0	111.4	Y145 I146 E147 S151 S152 L153	Y145-A149 WeakPolarHBondContact O-CB 3.43Å; Y145-A149 PolarHBondContact O-N 3.04Å; I146-A149 WeakPolarHBondContact O-CB 3.46Å; I146-A149 PolarHBondContact O-N 3.29Å; E147-A149 VanDerWaalsContact C-N 3.33Å; A149-S151 VanDerWaalsContact C-N 3.3Å; A149-S151 PolarHBondContact O-N 3.11Å; A149-S152 PolarHBondContact O-N 3.49Å; A149-S152 PolarHBondContact O-OG 2.84Å; A149-L153 PolarHBondContact O-N 3.3Å
150	H	91.3	Very high	88	Confident	33 Å²	33	52.9 Å²	52.9	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-39.2	175.1	-75.6	-79.6	0	0	0	111.7	E23 R24 I146 E147 L153 Q154	E23-H150 IonicContact OE1-CE1 3.88Å; R24-H150 HydrophobicContact CG-CB 4.28Å; R24-H150 PolarHBondContact NH1-O 3.25Å; R24-H150 VanDerWaalsContact NH2-CB 3.29Å; I146-H150 PolarHBondContact O-CD2 3.32Å; I146-H150 PolarHBondContact O-N 2.88Å; E147-H150 PolarHBondContact O-N 3.37Å; H150-L153 PolarHBondContact O-N 3.36Å; H150-Q154 VanDerWaalsContact O-CG 3.28Å; H150-Q154 WeakPolarHBondContact O-CG 3.29Å; H150-Q154 PolarHBondContact O-N 2.96Å
151	S	92.3	Very high	89.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-38.2	177.7	-64.4	0	0	0	0	112.2	R24 V79 E147 V148 A149 Q154 I155	R24-S151 PolarHBondContact NH1-OG 3.43Å; R24-S151 PolarHBondContact NH2-OG 2.9Å; R24-S151 VanDerWaalsContact NH2-OG 3.13Å; V79-S151 WeakPolarHBondContact CG1-OG 3.47Å; E147-S151 WeakPolarHBondContact O-CB 3.38Å; E147-S151 PolarHBondContact O-N 2.88Å; E147-S151 PolarHBondContact O-OG 2.82Å; E147-S151 VanDerWaalsContact O-OG 3.06Å; V148-S151 PolarHBondContact O-N 3.2Å; A149-S151 VanDerWaalsContact C-N 3.3Å; A149-S151 PolarHBondContact O-N 3.11Å; S151-Q154 PolarHBondContact O-N 2.93Å; S151-I155 WeakPolarHBondContact O-CG1 3.49Å; S151-I155 PolarHBondContact O-N 3.22Å
152	S	94.1	Very high	90.6	Very high	55 Å²	55	45.4 Å²	45.4	39%	0.385	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-42.1	174.5	76.9	0	0	0	0	111.7	V148 A149 Q154 I155 V156	V148-S152 WeakPolarHBondContact O-CB 3.47Å; V148-S152 PolarHBondContact O-N 3.39Å; A149-S152 PolarHBondContact O-N 3.49Å; A149-S152 PolarHBondContact O-OG 2.84Å; S152-Q154 VanDerWaalsContact C-N 3.34Å; S152-Q154 PolarHBondContact O-N 3.34Å; S152-I155 PolarHBondContact O-N 3.41Å; S152-V156 WeakPolarHBondContact O-CG2 3.41Å; S152-V156 PolarHBondContact O-N 2.91Å
153	L	94.8	Very high	91.6	Very high	77 Å²	77	46 Å²	46	40%	0.403	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-43.3	175.7	179.5	62.3	0	0	0	111.2	A149 H150 I155 V156 L157	A149-L153 PolarHBondContact O-N 3.3Å; H150-L153 PolarHBondContact O-N 3.36Å; L153-I155 VanDerWaalsContact C-N 3.35Å; L153-I155 PolarHBondContact O-N 2.97Å; L153-V156 PolarHBondContact O-N 2.89Å; L153-L157 HydrophobicContact CD1-CD1 4.48Å; L153-L157 HydrophobicContact CD1-CG 4.48Å; L153-L157 HydrophobicContact CG-CD1 4.3Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.32Å
154	Q	95.1	Very high	92.5	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-40.5	176.2	-70.1	-68.5	-4.2	0	0	112.1	C20 N76 H150 S151 S152 L157 A158	C20-Q154 VanDerWaalsContact C-NE2 3.3Å; C20-Q154 PolarHBondContact O-NE2 3.33Å; N76-Q154 WeakPolarHBondContact OD1-CB 3.47Å; H150-Q154 VanDerWaalsContact O-CG 3.28Å; H150-Q154 WeakPolarHBondContact O-CG 3.29Å; H150-Q154 PolarHBondContact O-N 2.96Å; S151-Q154 PolarHBondContact O-N 2.93Å; S152-Q154 VanDerWaalsContact C-N 3.34Å; S152-Q154 PolarHBondContact O-N 3.34Å; Q154-L157 PolarHBondContact O-N 3.43Å; Q154-A158 WeakPolarHBondContact O-CB 3.35Å; Q154-A158 PolarHBondContact O-N 3.39Å
155	I	96.1	Very high	93.2	Very high	25 Å²	25	44.1 Å²	44.1	13%	0.128	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-46.4	174.8	-69.5	167.6	0	0	0	110.8	V73 N76 V77 I80 S151 S152 L153 L157 A158 L159	V73-I155 HydrophobicContact CG1-CG2 4.36Å; N76-I155 HydrophobicContact CB-CD1 3.83Å; N76-I155 HydrophobicContact CB-CG1 3.52Å; V77-I155 HydrophobicContact CG2-CD1 3.86Å; I80-I155 HydrophobicContact CD1-CD1 3.54Å; S151-I155 WeakPolarHBondContact O-CG1 3.49Å; S151-I155 PolarHBondContact O-N 3.22Å; S152-I155 PolarHBondContact O-N 3.41Å; L153-I155 VanDerWaalsContact C-N 3.35Å; L153-I155 PolarHBondContact O-N 2.97Å; I155-L157 VanDerWaalsContact C-N 3.35Å; I155-L157 PolarHBondContact O-N 3.49Å; I155-A158 PolarHBondContact O-N 2.87Å; I155-L159 HydrophobicContact CG2-CD1 3.87Å; I155-L159 HydrophobicContact CG2-CG 4.2Å; I155-L159 WeakPolarHBondContact O-CB 3.37Å; I155-L159 VanDerWaalsContact O-CG 3.31Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 3.19Å
156	V	96.5	Very high	93.7	Very high	93 Å²	93	40.4 Å²	40.4	56%	0.564	23%	0.226	S	C	*	.	H	α-helix	trans	-59.5	-47.1	178.9	170.7	0	0	0	0	110.9	S152 L153 A158 L159 A160	S152-V156 WeakPolarHBondContact O-CG2 3.41Å; S152-V156 PolarHBondContact O-N 2.91Å; L153-V156 PolarHBondContact O-N 2.89Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 3.04Å; V156-L159 PolarHBondContact O-N 3.43Å; V156-A160 WeakPolarHBondContact O-CB 3.29Å; V156-A160 PolarHBondContact O-N 2.95Å
157	L	96.1	Very high	94.1	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.131	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-37	176.8	-70.3	175.1	0	0	0	112.1	M16 Q17 C20 L153 Q154 I155 G161	M16-L157 HydrophobicContact CB-CD2 4.24Å; Q17-L157 HydrophobicContact CG-CB 3.87Å; Q17-L157 PolarHBondContact NE2-O 3.38Å; C20-L157 HydrophobicContact CB-CD1 4.05Å; L153-L157 HydrophobicContact CD1-CD1 4.48Å; L153-L157 HydrophobicContact CD1-CG 4.48Å; L153-L157 HydrophobicContact CG-CD1 4.3Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.32Å; Q154-L157 PolarHBondContact O-N 3.43Å; I155-L157 VanDerWaalsContact C-N 3.35Å; I155-L157 PolarHBondContact O-N 3.49Å; L157-G161 PolarHBondContact O-N 3.31Å
158	A	96.3	Very high	94.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-42	177.6	0	0	0	0	0	112.2	L69 V73 Q154 I155 V156 G161 F162	L69-A158 HydrophobicContact CD2-CB 4.1Å; V73-A158 HydrophobicContact CG2-CB 3.66Å; Q154-A158 WeakPolarHBondContact O-CB 3.35Å; Q154-A158 PolarHBondContact O-N 3.39Å; I155-A158 PolarHBondContact O-N 2.87Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 3.04Å; A158-G161 PolarHBondContact O-N 3.22Å; A158-F162 WeakPolarHBondContact O-CB 3.45Å; A158-F162 PolarHBondContact O-N 3.39Å
159	L	97.2	Very high	94.6	Very high	88 Å²	88	44.6 Å²	44.6	46%	0.461	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-44.9	176.1	-69.9	174.8	0	0	0	111.4	V73 I155 V156 F162 I163	V73-L159 HydrophobicContact CG2-CD2 4.36Å; I155-L159 HydrophobicContact CG2-CD1 3.87Å; I155-L159 HydrophobicContact CG2-CG 4.2Å; I155-L159 WeakPolarHBondContact O-CB 3.37Å; I155-L159 VanDerWaalsContact O-CG 3.31Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 3.19Å; V156-L159 PolarHBondContact O-N 3.43Å; L159-F162 PolarHBondContact O-N 2.92Å; L159-I163 WeakPolarHBondContact O-CG1 3.45Å; L159-I163 PolarHBondContact O-N 3.47Å; L159-I163 VanDerWaalsContact O-N 3.08Å
160	A	95.7	Very high	94.7	Very high	32 Å²	32	48.9 Å²	48.9	26%	0.264	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-47.7	173.6	0	0	0	0	0	110.9	I13 V156 F162 I163 Y164	I13-A160 HydrophobicContact CD1-CB 4.18Å; V156-A160 WeakPolarHBondContact O-CB 3.29Å; V156-A160 PolarHBondContact O-N 2.95Å; A160-F162 VanDerWaalsContact C-N 3.28Å; A160-F162 PolarHBondContact O-N 3.1Å; A160-I163 PolarHBondContact O-N 3.19Å; A160-Y164 VanDerWaalsContact O-CD2 3.32Å; A160-Y164 WeakPolarHBondContact O-CD2 3.31Å; A160-Y164 PolarHBondContact O-N 3.35Å; A160-Y164 VanDerWaalsContact O-N 3.09Å
161	G	95.9	Very high	94.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-39.8	176.4	0	0	0	0	0	112.7	L69 L157 A158 A165	L69-G161 VanDerWaalsContact CD1-C 3.46Å; L157-G161 PolarHBondContact O-N 3.31Å; A158-G161 PolarHBondContact O-N 3.22Å; G161-A165 WeakPolarHBondContact O-CB 3.4Å; G161-A165 PolarHBondContact O-N 3.26Å
162	F	96.7	Very high	94.4	Very high	76 Å²	76	48.5 Å²	48.5	33%	0.333	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-47.3	179.8	178.9	-98.6	0	0	0	111.5	A66 L69 V70 A158 L159 A160 Y164 A165 C166	A66-F162 HydrophobicContact CB-CD2 4.18Å; A66-F162 HydrophobicContact CB-CE2 4.25Å; A66-F162 WeakPolarHBondContact O-CD2 3.39Å; L69-F162 HydrophobicContact CB-CB 4.46Å; L69-F162 HydrophobicContact CD1-CB 3.92Å; V70-F162 HydrophobicContact CG2-CD2 4.18Å; V70-F162 HydrophobicContact CG2-CE2 3.83Å; A158-F162 WeakPolarHBondContact O-CB 3.45Å; A158-F162 PolarHBondContact O-N 3.39Å; L159-F162 PolarHBondContact O-N 2.92Å; A160-F162 VanDerWaalsContact C-N 3.28Å; A160-F162 PolarHBondContact O-N 3.1Å; F162-Y164 PolarHBondContact O-N 3.31Å; F162-A165 PolarHBondContact O-N 3.47Å; F162-C166 PolarHBondContact O-N 2.96Å; F162-C166 PolarHBondContact O-SG 2.92Å; F162-C166 VanDerWaalsContact O-SG 3.38Å
163	I	95.4	Very high	94	Very high	111 Å²	111	48.5 Å²	48.5	57%	0.569	25%	0.248	S	C	*	.	H	α-helix	trans	-58.8	-48.5	178	-66.4	164.9	0	0	0	110.3	L159 A160 C166 Y167	L159-I163 WeakPolarHBondContact O-CG1 3.45Å; L159-I163 PolarHBondContact O-N 3.47Å; L159-I163 VanDerWaalsContact O-N 3.08Å; A160-I163 PolarHBondContact O-N 3.19Å; I163-C166 PolarHBondContact O-N 2.91Å; I163-Y167 WeakPolarHBondContact O-CB 3.42Å; I163-Y167 PolarHBondContact O-N 3.31Å
164	Y	94.1	Very high	93.6	Very high	85 Å²	85	50.4 Å²	50.4	33%	0.333	26%	0.255	S	S	.	.	H	α-helix	trans	-71.1	-33.5	179.8	-80.8	-77.6	0	0	0	113.1	T9 I13 A160 F162 Y167 V168	T9-Y164 HydrophobicContact CG2-CD1 3.96Å; T9-Y164 HydrophobicContact CG2-CD2 4.07Å; T9-Y164 HydrophobicContact CG2-CE1 3.57Å; T9-Y164 HydrophobicContact CG2-CE2 3.7Å; T9-Y164 HydrophobicContact CG2-CG 4.2Å; T9-Y164 VanDerWaalsContact CG2-CZ 3.43Å; I13-Y164 HydrophobicContact CD1-CD2 3.32Å; I13-Y164 HydrophobicContact CD1-CE2 3.83Å; I13-Y164 HydrophobicContact CD1-CG 4Å; A160-Y164 VanDerWaalsContact O-CD2 3.32Å; A160-Y164 WeakPolarHBondContact O-CD2 3.31Å; A160-Y164 PolarHBondContact O-N 3.35Å; A160-Y164 VanDerWaalsContact O-N 3.09Å; F162-Y164 PolarHBondContact O-N 3.31Å; Y164-Y167 PolarHBondContact O-N 3.46Å; Y164-V168 WeakPolarHBondContact O-CB 3.37Å; Y164-V168 VanDerWaalsContact O-CG2 3.29Å; Y164-V168 WeakPolarHBondContact O-CG2 3.46Å; Y164-V168 PolarHBondContact O-N 3.48Å
165	A	94.9	Very high	93.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-48.1	173.4	0	0	0	0	0	110.9	L10 I62 Y65 A66 G161 F162 Y167 V168 V169	L10-A165 HydrophobicContact CD1-CB 4.4Å; I62-A165 HydrophobicContact CG2-CB 3.98Å; Y65-A165 HydrophobicContact CD1-CB 3.9Å; Y65-A165 HydrophobicContact CE1-CB 3.99Å; A66-A165 HydrophobicContact CB-CB 4.14Å; G161-A165 WeakPolarHBondContact O-CB 3.4Å; G161-A165 PolarHBondContact O-N 3.26Å; F162-A165 PolarHBondContact O-N 3.47Å; A165-Y167 VanDerWaalsContact C-N 3.32Å; A165-Y167 PolarHBondContact O-N 3.3Å; A165-V168 PolarHBondContact O-N 2.84Å; A165-V169 WeakPolarHBondContact O-CB 3.22Å; A165-V169 VanDerWaalsContact O-CG2 3.29Å; A165-V169 WeakPolarHBondContact O-CG2 3.36Å; A165-V169 PolarHBondContact O-N 3.31Å
166	C	94.7	Very high	92.3	Very high	46 Å²	46	56 Å²	56	31%	0.311	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-41.3	175.2	-69.9	0	0	0	0	112.1	F162 I163 K170	F162-C166 PolarHBondContact O-N 2.96Å; F162-C166 PolarHBondContact O-SG 2.92Å; F162-C166 VanDerWaalsContact O-SG 3.38Å; I163-C166 PolarHBondContact O-N 2.91Å; C166-K170 WeakPolarHBondContact O-CG 3.3Å; C166-K170 PolarHBondContact O-N 2.97Å
167	Y	93.1	Very high	91.3	Very high	105 Å²	105	56.4 Å²	56.4	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-49.1	175.8	176.7	-98.2	0	0	0	112	I163 Y164 A165 V169 K170 C171	I163-Y167 WeakPolarHBondContact O-CB 3.42Å; I163-Y167 PolarHBondContact O-N 3.31Å; Y164-Y167 PolarHBondContact O-N 3.46Å; A165-Y167 VanDerWaalsContact C-N 3.32Å; A165-Y167 PolarHBondContact O-N 3.3Å; Y167-V169 PolarHBondContact O-N 2.89Å; Y167-K170 PolarHBondContact O-N 3.34Å; Y167-C171 PolarHBondContact O-N 2.92Å; Y167-C171 PolarHBondContact O-SG 3.26Å; Y167-C171 VanDerWaalsContact O-SG 3.32Å
168	V	92.4	Very high	90.4	Very high	4 Å²	4	58 Å²	58	2%	0.024	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-40.5	179.9	170.6	0	0	0	0	111.6	R7 L10 I62 Y164 A165 C171 I172	R7-V168 HydrophobicContact CG-CG1 4.23Å; R7-V168 HydrophobicContact CG-CG2 4.31Å; L10-V168 HydrophobicContact CB-CG2 4.3Å; L10-V168 HydrophobicContact CD2-CB 4.07Å; L10-V168 HydrophobicContact CD2-CG1 4.34Å; L10-V168 HydrophobicContact CD2-CG2 3.92Å; I62-V168 HydrophobicContact CD1-CG1 3.83Å; Y164-V168 WeakPolarHBondContact O-CB 3.37Å; Y164-V168 VanDerWaalsContact O-CG2 3.29Å; Y164-V168 WeakPolarHBondContact O-CG2 3.46Å; Y164-V168 PolarHBondContact O-N 3.48Å; A165-V168 PolarHBondContact O-N 2.84Å; V168-C171 PolarHBondContact O-N 3Å; V168-I172 HydrophobicContact CG1-CD1 3.77Å; V168-I172 HydrophobicContact CG1-CG1 4.39Å; V168-I172 VanDerWaalsContact O-CG1 3.31Å; V168-I172 WeakPolarHBondContact O-CG1 3.45Å; V168-I172 PolarHBondContact O-N 2.93Å
169	V	93	Very high	88.9	Confident	26 Å²	26	64.5 Å²	64.5	16%	0.158	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-48.1	174.6	170.3	0	0	0	0	110.5	I62 A165 Y167 C171 I172 T173	I62-V169 HydrophobicContact CB-CG2 3.68Å; I62-V169 HydrophobicContact CG2-CG2 3.5Å; A165-V169 WeakPolarHBondContact O-CB 3.22Å; A165-V169 VanDerWaalsContact O-CG2 3.29Å; A165-V169 WeakPolarHBondContact O-CG2 3.36Å; A165-V169 PolarHBondContact O-N 3.31Å; Y167-V169 PolarHBondContact O-N 2.89Å; V169-C171 VanDerWaalsContact C-N 3.35Å; V169-C171 PolarHBondContact O-N 2.95Å; V169-I172 PolarHBondContact O-N 3.4Å; V169-T173 PolarHBondContact O-N 3.15Å; V169-T173 PolarHBondContact O-OG1 3.21Å; V169-T173 VanDerWaalsContact O-OG1 3.11Å
170	K	91.9	Very high	87.6	Confident	142 Å²	142	66.2 Å²	66.2	62%	0.617	33%	0.331	S	S	*	.	H	α-helix	trans	-57.6	-46.6	176.5	-76.3	-176	176.3	-171.6	0	112	C166 Y167 I172 T173 E174	C166-K170 WeakPolarHBondContact O-CG 3.3Å; C166-K170 PolarHBondContact O-N 2.97Å; Y167-K170 PolarHBondContact O-N 3.34Å; K170-I172 VanDerWaalsContact C-N 3.33Å; K170-I172 PolarHBondContact O-N 3.4Å; K170-T173 PolarHBondContact O-N 3.09Å; K170-E174 WeakPolarHBondContact O-CB 3.35Å; K170-E174 WeakPolarHBondContact O-CG 3.37Å; K170-E174 PolarHBondContact O-N 3.49Å
171	C	89.4	Confident	86.3	Confident	16 Å²	16	72.1 Å²	72.1	11%	0.108	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-41.7	177.8	-67.7	0	0	0	0	112.6	Y3 Y167 V168 V169 E175	Y3-C171 HydrophobicContact CD1-CB 4.44Å; Y3-C171 HydrophobicContact CE1-CB 4.43Å; Y167-C171 PolarHBondContact O-N 2.92Å; Y167-C171 PolarHBondContact O-SG 3.26Å; Y167-C171 VanDerWaalsContact O-SG 3.32Å; V168-C171 PolarHBondContact O-N 3Å; V169-C171 VanDerWaalsContact C-N 3.35Å; V169-C171 PolarHBondContact O-N 2.95Å; C171-E175 WeakPolarHBondContact O-CG 3.31Å; C171-E175 PolarHBondContact O-N 3.44Å; C171-E175 VanDerWaalsContact O-N 3.09Å
172	I	88.1	Confident	84.7	Confident	9 Å²	9	77.9 Å²	77.9	5%	0.046	38%	0.381	C	S	.	.	H	α-helix	trans	-66.7	-43.8	178.5	-67.2	167	0	0	0	110.5	P59 I62 V168 V169 K170 E175 E176	P59-I172 HydrophobicContact CB-CG2 4.2Å; P59-I172 HydrophobicContact CG-CG2 4.14Å; I62-I172 HydrophobicContact CD1-CD1 3.68Å; V168-I172 HydrophobicContact CG1-CD1 3.77Å; V168-I172 HydrophobicContact CG1-CG1 4.39Å; V168-I172 VanDerWaalsContact O-CG1 3.31Å; V168-I172 WeakPolarHBondContact O-CG1 3.45Å; V168-I172 PolarHBondContact O-N 2.93Å; V169-I172 PolarHBondContact O-N 3.4Å; K170-I172 VanDerWaalsContact C-N 3.33Å; K170-I172 PolarHBondContact O-N 3.4Å; I172-E175 PolarHBondContact O-N 3.09Å; I172-E176 HydrophobicContact CG2-CG 4.48Å; I172-E176 WeakPolarHBondContact O-CG 3.19Å; I172-E176 PolarHBondContact O-N 3.49Å
173	T	87.4	Confident	82.8	Confident	54 Å²	54	75.9 Å²	75.9	33%	0.331	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-41.8	179	-59.1	0	0	0	0	112.1	V169 K170 E175 E176 D177	V169-T173 PolarHBondContact O-N 3.15Å; V169-T173 PolarHBondContact O-OG1 3.21Å; V169-T173 VanDerWaalsContact O-OG1 3.11Å; K170-T173 PolarHBondContact O-N 3.09Å; T173-E175 VanDerWaalsContact C-N 3.32Å; T173-E175 PolarHBondContact O-N 3.29Å; T173-E176 PolarHBondContact O-N 3.35Å; T173-D177 PolarHBondContact O-N 2.91Å
174	E	86.6	Confident	80.8	Confident	117 Å²	117	71.9 Å²	71.9	55%	0.547	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-38	175.1	-74	176.4	168.2	0	0	112.2	K170 S178	K170-E174 WeakPolarHBondContact O-CB 3.35Å; K170-E174 WeakPolarHBondContact O-CG 3.37Å; K170-E174 PolarHBondContact O-N 3.49Å; E174-S178 WeakPolarHBondContact O-CB 3.4Å; E174-S178 PolarHBondContact O-N 3.12Å; E174-S178 VanDerWaalsContact O-N 3.09Å; E174-S178 PolarHBondContact O-OG 3.46Å
175	E	82.9	Confident	78.9	Confident	55 Å²	55	75.8 Å²	75.8	26%	0.257	39%	0.387	S	S	.	.	H	α-helix	trans	-64.4	-48.7	173.7	-76	175.8	-166.4	0	0	110.8	Y3 C171 I172 T173 D177 S178 F179	Y3-E175 WeakPolarHBondContact CD1-OE1 2.97Å; C171-E175 WeakPolarHBondContact O-CG 3.31Å; C171-E175 PolarHBondContact O-N 3.44Å; C171-E175 VanDerWaalsContact O-N 3.09Å; I172-E175 PolarHBondContact O-N 3.09Å; T173-E175 VanDerWaalsContact C-N 3.32Å; T173-E175 PolarHBondContact O-N 3.29Å; E175-D177 PolarHBondContact O-N 3.33Å; E175-S178 PolarHBondContact O-N 3.34Å; E175-S178 PolarHBondContact O-OG 3.31Å; E175-F179 HydrophobicContact CB-CE2 4.27Å; E175-F179 WeakPolarHBondContact O-CD2 3.39Å; E175-F179 PolarHBondContact O-N 3.21Å; E175-F179 VanDerWaalsContact O-N 3.08Å
176	E	79.7	Confident	76.9	Confident	91 Å²	91	82 Å²	82	43%	0.425	42%	0.42	S	S	.	.	H	α-helix	trans	-57.8	-48.2	177.2	-73	-177.5	160.6	0	0	112.2	I172 T173 S178 F179 D180	I172-E176 HydrophobicContact CG2-CG 4.48Å; I172-E176 WeakPolarHBondContact O-CG 3.19Å; I172-E176 PolarHBondContact O-N 3.49Å; T173-E176 PolarHBondContact O-N 3.35Å; E176-S178 VanDerWaalsContact C-N 3.28Å; E176-S178 PolarHBondContact O-N 3.47Å; E176-F179 PolarHBondContact O-N 3.49Å; E176-D180 PolarHBondContact O-N 3.18Å
177	D	76.8	Confident	74.9	Confident	102 Å²	102	84.1 Å²	84.1	55%	0.545	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-35.2	177.6	-74.9	-19.3	0	0	0	112.1	T173 E175 D180 F181	T173-D177 PolarHBondContact O-N 2.91Å; E175-D177 PolarHBondContact O-N 3.33Å; D177-D180 PolarHBondContact O-N 3.06Å; D177-F181 PolarHBondContact O-N 3.08Å; D177-F181 VanDerWaalsContact O-N 3.12Å
178	S	75.4	Confident	72.8	Confident	57 Å²	57	89.9 Å²	89.9	40%	0.399	46%	0.458	S	S	.	.	H	α-helix	trans	-69.6	-35.1	177.5	77.6	0	0	0	0	112.9	E174 E175 E176 F181 I182	E174-S178 WeakPolarHBondContact O-CB 3.4Å; E174-S178 PolarHBondContact O-N 3.12Å; E174-S178 VanDerWaalsContact O-N 3.09Å; E174-S178 PolarHBondContact O-OG 3.46Å; E175-S178 PolarHBondContact O-N 3.34Å; E175-S178 PolarHBondContact O-OG 3.31Å; E176-S178 VanDerWaalsContact C-N 3.28Å; E176-S178 PolarHBondContact O-N 3.47Å; S178-F181 PolarHBondContact O-N 2.67Å; S178-I182 PolarHBondContact O-N 2.87Å
179	F	65	Low	70.6	Confident	139 Å²	139	92.5 Å²	92.5	61%	0.61	49%	0.486	S	S	*	.	H	α-helix	trans	-70.5	-37.5	174.7	-71.6	-63.2	0	0	0	111.5	E175 E176 F181 I182 G183	E175-F179 HydrophobicContact CB-CE2 4.27Å; E175-F179 WeakPolarHBondContact O-CD2 3.39Å; E175-F179 PolarHBondContact O-N 3.21Å; E175-F179 VanDerWaalsContact O-N 3.08Å; E176-F179 PolarHBondContact O-N 3.49Å; F179-F181 VanDerWaalsContact C-N 3.32Å; F179-F181 PolarHBondContact O-N 3.2Å; F179-I182 PolarHBondContact O-N 2.88Å; F179-G183 PolarHBondContact O-N 3.39Å
180	D	70.7	Confident	68.2	Low	124 Å²	124	101 Å²	101	66%	0.663	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-37.1	173.9	-82.1	-5.5	0	0	0	111.8	E176 D177 G184	E176-D180 PolarHBondContact O-N 3.18Å; D177-D180 PolarHBondContact O-N 3.06Å; D180-G184 WeakPolarHBondContact O-CA 3.45Å; D180-G184 PolarHBondContact O-N 3.33Å
181	F	67.5	Low	65.8	Low	155 Å²	155	103 Å²	103	68%	0.68	53%	0.528	S	S	*	.	H	α-helix	trans	-67.2	-38.6	175.7	-172.8	-97.9	0	0	0	113.1	D177 S178 F179 F185	D177-F181 PolarHBondContact O-N 3.08Å; D177-F181 VanDerWaalsContact O-N 3.12Å; S178-F181 PolarHBondContact O-N 2.67Å; F179-F181 VanDerWaalsContact C-N 3.32Å; F179-F181 PolarHBondContact O-N 3.2Å; F181-F185 HydrophobicContact CZ-CE2 4.45Å
182	I	63.3	Low	63.6	Low	122 Å²	122	104.3 Å²	104.3	63%	0.626	55%	0.545	S	S	*	.	H	α-helix	trans	-75.5	-44.2	177.9	-68.5	170.8	0	0	0	111.1	S178 F179 G184 F185	S178-I182 PolarHBondContact O-N 2.87Å; F179-I182 PolarHBondContact O-N 2.88Å; I182-G184 PolarHBondContact O-N 3.33Å; I182-F185 PolarHBondContact O-N 2.98Å
183	G	55.5	Low	61.6	Low	33 Å²	33	109.4 Å²	109.4	34%	0.34	58%	0.579	S	S	.	*	H	α-helix	trans	-69.9	-20	176.4	0	0	0	0	0	113.9	F179 F185 D186 S187	F179-G183 PolarHBondContact O-N 3.39Å; G183-F185 VanDerWaalsContact C-N 3.28Å; G183-F185 PolarHBondContact O-N 3.43Å; G183-D186 PolarHBondContact O-N 2.83Å; G183-S187 PolarHBondContact O-N 3.27Å; G183-S187 PolarHBondContact O-OG 3.39Å
184	G	54.9	Low	59.5	Low	28 Å²	28	114.6 Å²	114.6	29%	0.289	60%	0.599	S	S	.	*	H	α-helix	trans	-65.5	-25.3	175.4	0	0	0	0	0	114.2	D180 I182	D180-G184 WeakPolarHBondContact O-CA 3.45Å; D180-G184 PolarHBondContact O-N 3.33Å; I182-G184 PolarHBondContact O-N 3.33Å
185	F	53.8	Low	57.1	Low	167 Å²	167	119 Å²	119	73%	0.732	62%	0.616	S	S	*	*	H	α-helix	trans	-74	-27.1	174.6	-89.7	-84.1	0	0	0	113.3	F181 I182 G183	F181-F185 HydrophobicContact CZ-CE2 4.45Å; I182-F185 PolarHBondContact O-N 2.98Å; G183-F185 VanDerWaalsContact C-N 3.28Å; G183-F185 PolarHBondContact O-N 3.43Å
186	D	53.1	Low	55.2	Low	129 Å²	129	121.6 Å²	121.6	69%	0.69	64%	0.636	S	S	*	*	H	α-helix	trans	-84.5	-21.2	175.5	-74.3	-24.4	0	0	0	112.8	G183	G183-D186 PolarHBondContact O-N 2.83Å
187	S	52.5	Low	53.9	Low	92 Å²	92	122.4 Å²	122.4	64%	0.643	65%	0.652	S	S	*	*	H	α-helix	trans	-83.8	-18.7	-173.1	-56.5	0	0	0	0	114.7	G183 G189	G183-S187 PolarHBondContact O-N 3.27Å; G183-S187 PolarHBondContact O-OG 3.39Å; S187-G189 VanDerWaalsContact C-N 3.34Å
188	Y	49	Very low	52.3	Low	225 Å²	225	124.8 Å²	124.8	88%	0.882	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	1.3	173.3	-82.2	-79.8	0	0	0	114
189	G	46.8	Very low	50.8	Low	60 Å²	60	129.6 Å²	129.6	62%	0.619	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-19.9	-178.9	0	0	0	0	0	116.1	S187 Q191	S187-G189 VanDerWaalsContact C-N 3.34Å; G189-Q191 VanDerWaalsContact C-N 3.32Å; G189-Q191 PolarHBondContact O-N 2.89Å
190	Y	41.5	Very low	49.9	Very low	204 Å²	204	130.7 Å²	130.7	80%	0.8	69%	0.687	S	S	*	*			trans	-86.1	75.2	-179.3	-111.1	-96.1	0	0	0	111.2	G192	Y190-G192 PolarHBondContact O-N 3Å
191	Q	42.1	Very low	49	Very low	183 Å²	183	132.1 Å²	132.1	86%	0.855	69%	0.694	S	S	*	*			trans	-57.2	97.8	141.7	-82.2	-178.2	-23.7	0	0	105.8	G189	G189-Q191 VanDerWaalsContact C-N 3.32Å; G189-Q191 PolarHBondContact O-N 2.89Å
192	G	43.6	Very low	48	Very low	45 Å²	45	133.5 Å²	133.5	46%	0.464	70%	0.702	S	S	.	*			trans	-46.7	132.4	168.2	0	0	0	0	0	107.5	Y190 Q194	Y190-G192 PolarHBondContact O-N 3Å; G192-Q194 PolarHBondContact O-N 2.76Å
193	P	45.8	Very low	47.6	Very low	116 Å²	116	133 Å²	133	75%	0.753	71%	0.707	S	S	*	*			trans	-54.9	108.1	-172.2	19.8	-30.4	0	0	0	107.3	K195	P193-K195 PolarHBondContact O-N 2.69Å
194	Q	42.5	Very low	47.3	Very low	162 Å²	162	140 Å²	140	76%	0.757	73%	0.733	S	S	*	*			trans	-55.1	117.7	165.5	-80.6	-174.6	-38	0	0	103.8	G192 T196	G192-Q194 PolarHBondContact O-N 2.76Å; Q194-T196 HydrophobicContact CB-CG2 4.02Å; Q194-T196 PolarHBondContact O-N 2.96Å
195	K	36.7	Very low	47.2	Very low	210 Å²	210	149.4 Å²	149.4	91%	0.913	76%	0.761	S	S	*	*			trans	-62.7	74.9	166.5	-69.5	-178.4	175.4	-179	0	107.1	P193 S197	P193-K195 PolarHBondContact O-N 2.69Å; K195-S197 PolarHBondContact O-N 3.27Å
196	T	42.7	Very low	46.8	Very low	109 Å²	109	150.4 Å²	150.4	67%	0.669	77%	0.77	S	S	*	*			trans	-88.3	90.5	167.1	52.8	0	0	0	0	105.9	Q194 H198	Q194-T196 HydrophobicContact CB-CG2 4.02Å; Q194-T196 PolarHBondContact O-N 2.96Å; T196-H198 PolarHBondContact O-N 2.83Å
197	S	52.9	Low	46.9	Very low	109 Å²	109	150 Å²	150	76%	0.762	78%	0.778	S	S	*	*			trans	-51.3	87.5	160.3	52	0	0	0	0	109.7	K195	K195-S197 PolarHBondContact O-N 3.27Å
198	H	42.1	Very low	47.1	Very low	151 Å²	151	158.7 Å²	158.7	70%	0.699	80%	0.804	S	S	*	*			trans	-143.8	73	158.9	-118.1	-86	0	0	0	108.2	T196 Q200	T196-H198 PolarHBondContact O-N 2.83Å; H198-Q200 PolarHBondContact O-N 3.08Å
199	L	45	Very low	47	Very low	159 Å²	159	155.4 Å²	155.4	83%	0.832	80%	0.8	S	S	*	*			trans	-55.5	81.1	150.4	-99.6	146.5	0	0	0	107.4	L201	L199-L201 VanDerWaalsContact C-N 3.28Å; L199-L201 PolarHBondContact O-N 2.8Å; L199-L201 VanDerWaalsContact O-N 3.08Å
200	Q	45.3	Very low	47	Very low	162 Å²	162	160.4 Å²	160.4	76%	0.757	81%	0.81	S	S	*	*			trans	-74.4	93.4	161.4	-75.1	-170.3	-64.6	0	0	106.4	H198 Q202	H198-Q200 PolarHBondContact O-N 3.08Å; Q200-Q202 PolarHBondContact O-N 3.09Å; Q200-Q202 VanDerWaalsContact O-N 3.09Å
201	L	51.6	Low	47.3	Very low	153 Å²	153	158 Å²	158	80%	0.801	81%	0.81	S	S	*	*			trans	-52.9	113.2	165.4	-79.4	106.5	0	0	0	108.5	L199	L199-L201 VanDerWaalsContact C-N 3.28Å; L199-L201 PolarHBondContact O-N 2.8Å; L199-L201 VanDerWaalsContact O-N 3.08Å
202	Q	47	Very low	47.6	Very low	185 Å²	185	156.5 Å²	156.5	86%	0.864	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.7	128.6	165.4	-81.1	-179.1	-36	0	0	108.8	Q200 M204	Q200-Q202 PolarHBondContact O-N 3.09Å; Q200-Q202 VanDerWaalsContact O-N 3.09Å; Q202-M204 PolarHBondContact O-N 3.48Å
203	P	55.2	Low	47.9	Very low	110 Å²	110	163.5 Å²	163.5	71%	0.714	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-70.6	129.6	177.1	26	-30.9	0	0	0	110.8
204	M	48.8	Very low	48	Very low	182 Å²	182	166.7 Å²	166.7	90%	0.897	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79.2	118.8	175	-159.4	-176.2	-65.9	0	0	108.9	Q202 M206	Q202-M204 PolarHBondContact O-N 3.48Å; M204-M206 PolarHBondContact O-N 3.38Å
205	Y	52.3	Low	48.4	Very low	225 Å²	225	167 Å²	167	88%	0.882	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-68.1	121.2	176.4	-75.2	-92.3	0	0	0	110.2
206	M	46.3	Very low	49.3	Very low	187 Å²	187	163.7 Å²	163.7	92%	0.921	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-82.1	119.3	166.4	-70.2	-160.8	-72.2	0	0	109.3	M204	M204-M206 PolarHBondContact O-N 3.38Å
207	S	55.4	Low	49.9	Very low	122 Å²	122	168.3 Å²	168.3	85%	0.853	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-68.9	138.5	166.1	-176.4	0	0	0	0	109.3
208	K	56.9	Low	49.6	Very low	274 Å²	274	173.6 Å²	173.6	100%	1.191	86%	0.856	S	S	*	*			trans	-56.2	0	-179.7	-72.1	177.6	176.5	174.3	0	113.5

Retrieved 208 of 208 residues in 37.3 ms (Link to these results)

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