A0A087WS60_MOUSE Loading...

Lysosomal cobalamin transport escort protein LMBD1

AlphaFold DB , UniProt , Accession A0A087WS60, Species MOUSE (Mus musculus, Mouse), Gene Lmbrd1, Length 161 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	46.9	Very low	56.1	Low	217 Å²	217	76.8 Å²	76.8	100%	1.069	49%	0.49	S	S	*	.				0	-49.8	0	-73.8	-162.3	-69.6	0	0	113.5	A5	M1-A5 PolarHBondContact O-N 3.44Å
2	A	51.3	Low	56.4	Low	87 Å²	87	81.9 Å²	81.9	72%	0.719	49%	0.492	S	S	*	.	H	α-helix	trans	-65.2	-39.6	-178.9	0	0	0	0	0	114.9	A5 A6	A2-A5 PolarHBondContact O-N 2.85Å; A2-A6 PolarHBondContact O-N 3.49Å
3	A	53.9	Low	57.3	Low	76 Å²	76	81.8 Å²	81.8	63%	0.628	50%	0.496	S	S	*	.	H	α-helix	trans	-66.6	-38.4	179.8	0	0	0	0	0	113	A6 E7	A3-A6 PolarHBondContact O-N 3.31Å; A3-E7 WeakPolarHBondContact O-CG 3.2Å; A3-E7 PolarHBondContact O-N 3.19Å
4	A	52.2	Low	57.9	Low	36 Å²	36	82.3 Å²	82.3	30%	0.298	49%	0.493	S	S	.	.	H	α-helix	trans	-68.2	-37.4	179.1	0	0	0	0	0	112.6	L8 W81	A4-L8 WeakPolarHBondContact O-CG 3.47Å; A4-L8 PolarHBondContact O-N 3.11Å; A4-W81 HydrophobicContact CB-CB 4.15Å
5	A	54.3	Low	58.1	Low	55 Å²	55	81.2 Å²	81.2	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-68.9	-36.2	176.8	0	0	0	0	0	112.4	M1 A2 L8 V9	M1-A5 PolarHBondContact O-N 3.44Å; A2-A5 PolarHBondContact O-N 2.85Å; A5-L8 PolarHBondContact O-N 3.3Å; A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.49Å; A5-V9 PolarHBondContact O-N 2.98Å
6	A	57.6	Low	58.5	Low	46 Å²	46	78.2 Å²	78.2	38%	0.38	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-44.6	178	0	0	0	0	0	112.1	A2 A3 L8 V9 I10	A2-A6 PolarHBondContact O-N 3.49Å; A3-A6 PolarHBondContact O-N 3.31Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.45Å; A6-V9 PolarHBondContact O-N 3.35Å; A6-I10 WeakPolarHBondContact O-CB 3.47Å; A6-I10 WeakPolarHBondContact O-CD1 3.3Å; A6-I10 WeakPolarHBondContact O-CG1 3.24Å; A6-I10 PolarHBondContact O-N 3.46Å
7	E	56.6	Low	59.3	Low	95 Å²	95	81 Å²	81	44%	0.444	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-38	177.8	-63.5	-63.7	138.7	0	0	112.1	A3 I10 G11	A3-E7 WeakPolarHBondContact O-CG 3.2Å; A3-E7 PolarHBondContact O-N 3.19Å; E7-I10 PolarHBondContact O-N 2.97Å; E7-G11 PolarHBondContact O-N 2.86Å
8	L	56.2	Low	59.6	Low	42 Å²	42	81.4 Å²	81.4	22%	0.22	48%	0.481	C	S	.	.	H	α-helix	trans	-66.4	-44.2	175.2	-76.3	167.8	0	0	0	112.5	A4 A5 A6 I10 G11 W12 W81 V86	A4-L8 WeakPolarHBondContact O-CG 3.47Å; A4-L8 PolarHBondContact O-N 3.11Å; A5-L8 PolarHBondContact O-N 3.3Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.45Å; L8-I10 VanDerWaalsContact C-N 3.3Å; L8-I10 PolarHBondContact O-N 3.24Å; L8-G11 PolarHBondContact O-N 2.6Å; L8-W12 PolarHBondContact O-N 3.49Å; L8-W81 HydrophobicContact CD2-CE3 3.69Å; L8-W81 HydrophobicContact CD2-CZ3 3.69Å; L8-W81 HydrophobicContact CG-CE3 4.26Å; L8-V86 HydrophobicContact CD2-CG1 3.92Å
9	V	63.7	Low	59.8	Low	91 Å²	91	81.4 Å²	81.4	55%	0.552	48%	0.478	S	S	*	.	H	α-helix	trans	-62.9	-39.9	176.1	166.8	0	0	0	0	110.8	A5 A6 W12 C13	A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.49Å; A5-V9 PolarHBondContact O-N 2.98Å; A6-V9 PolarHBondContact O-N 3.35Å; V9-W12 PolarHBondContact O-N 3.38Å; V9-C13 VanDerWaalsContact O-CB 3.27Å; V9-C13 WeakPolarHBondContact O-CB 3.4Å; V9-C13 PolarHBondContact O-N 3.25Å; V9-C13 PolarHBondContact O-SG 3.22Å
10	I	62	Low	60.2	Low	79 Å²	79	83.2 Å²	83.2	41%	0.405	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-44.1	176.4	-70.8	162.6	0	0	0	110.5	A6 E7 L8 C13 I14	A6-I10 WeakPolarHBondContact O-CB 3.47Å; A6-I10 WeakPolarHBondContact O-CD1 3.3Å; A6-I10 WeakPolarHBondContact O-CG1 3.24Å; A6-I10 PolarHBondContact O-N 3.46Å; E7-I10 PolarHBondContact O-N 2.97Å; L8-I10 VanDerWaalsContact C-N 3.3Å; L8-I10 PolarHBondContact O-N 3.24Å; I10-C13 PolarHBondContact O-N 2.91Å; I10-I14 HydrophobicContact CG2-CD1 3.62Å; I10-I14 HydrophobicContact CG2-CG1 4.43Å; I10-I14 WeakPolarHBondContact O-CB 3.46Å; I10-I14 WeakPolarHBondContact O-CD1 3.27Å; I10-I14 VanDerWaalsContact O-CG1 3.23Å; I10-I14 WeakPolarHBondContact O-CG1 3.32Å; I10-I14 PolarHBondContact O-N 3.37Å
11	G	62.9	Low	60.6	Low	21 Å²	21	81.8 Å²	81.8	22%	0.216	48%	0.483	C	S	.	.	H	α-helix	trans	-59.4	-47.7	174.9	0	0	0	0	0	113.2	E7 L8 I14 F15	E7-G11 PolarHBondContact O-N 2.86Å; L8-G11 PolarHBondContact O-N 2.6Å; G11-I14 PolarHBondContact O-N 3.47Å; G11-F15 WeakPolarHBondContact O-CB 3.29Å; G11-F15 PolarHBondContact O-N 2.91Å
12	W	59.3	Low	61.3	Low	138 Å²	138	74 Å²	74	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-64.9	-38.9	176.8	-87.9	76.4	0	0	0	112.8	L8 V9 G16	L8-W12 PolarHBondContact O-N 3.49Å; V9-W12 PolarHBondContact O-N 3.38Å; W12-G16 PolarHBondContact O-N 3.39Å
13	C	67.5	Low	61.9	Low	80 Å²	80	75 Å²	75	54%	0.541	44%	0.438	S	S	.	.	H	α-helix	trans	-63.9	-44.6	174.8	-87.1	0	0	0	0	111.6	V9 I10 L17	V9-C13 VanDerWaalsContact O-CB 3.27Å; V9-C13 WeakPolarHBondContact O-CB 3.4Å; V9-C13 PolarHBondContact O-N 3.25Å; V9-C13 PolarHBondContact O-SG 3.22Å; I10-C13 PolarHBondContact O-N 2.91Å; C13-L17 WeakPolarHBondContact O-CB 3.18Å; C13-L17 PolarHBondContact O-N 3.34Å
14	I	66.8	Low	62.7	Low	89 Å²	89	73.5 Å²	73.5	46%	0.456	43%	0.425	S	S	.	.	H	α-helix	trans	-65.5	-43.9	179.1	-68.3	163.8	0	0	0	110.5	I10 G11 L17 L18	I10-I14 HydrophobicContact CG2-CD1 3.62Å; I10-I14 HydrophobicContact CG2-CG1 4.43Å; I10-I14 WeakPolarHBondContact O-CB 3.46Å; I10-I14 WeakPolarHBondContact O-CD1 3.27Å; I10-I14 VanDerWaalsContact O-CG1 3.23Å; I10-I14 WeakPolarHBondContact O-CG1 3.32Å; I10-I14 PolarHBondContact O-N 3.37Å; G11-I14 PolarHBondContact O-N 3.47Å; I14-L17 PolarHBondContact O-N 2.97Å; I14-L18 HydrophobicContact CG2-CD1 3.83Å; I14-L18 WeakPolarHBondContact O-CB 3.49Å; I14-L18 WeakPolarHBondContact O-CG 3.03Å; I14-L18 PolarHBondContact O-N 2.9Å
15	F	61	Low	63.4	Low	66 Å²	66	78.5 Å²	78.5	29%	0.289	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-50.5	176.3	177.6	-101.7	0	0	0	112	G11 L17 L18 L19 T93	G11-F15 WeakPolarHBondContact O-CB 3.29Å; G11-F15 PolarHBondContact O-N 2.91Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 3.39Å; F15-L18 PolarHBondContact O-N 2.83Å; F15-L19 HydrophobicContact CE1-CD1 4.1Å; F15-L19 HydrophobicContact CZ-CD1 4.02Å; F15-L19 WeakPolarHBondContact O-CB 3.43Å; F15-L19 PolarHBondContact O-N 3.48Å; F15-T93 HydrophobicContact CE1-CG2 4.4Å
16	G	64.1	Low	63.6	Low	33 Å²	33	77.3 Å²	77.3	34%	0.34	43%	0.429	S	S	.	.	H	α-helix	trans	-58.9	-43.7	177.5	0	0	0	0	0	111.6	W12 L19 L20	W12-G16 PolarHBondContact O-N 3.39Å; G16-L19 PolarHBondContact O-N 3.34Å; G16-L20 VanDerWaalsContact O-CB 3.23Å; G16-L20 WeakPolarHBondContact O-CB 3.44Å; G16-L20 PolarHBondContact O-N 2.85Å
17	L	72.1	Confident	63.7	Low	126 Å²	126	83.5 Å²	83.5	66%	0.66	44%	0.442	S	S	*	.	H	α-helix	trans	-68.3	-40.2	-179.3	-161.9	154	0	0	0	112.1	C13 I14 F15 A21	C13-L17 WeakPolarHBondContact O-CB 3.18Å; C13-L17 PolarHBondContact O-N 3.34Å; I14-L17 PolarHBondContact O-N 2.97Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 3.39Å; L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.3Å
18	L	64.9	Low	64.2	Low	88 Å²	88	83.2 Å²	83.2	46%	0.461	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-46.4	173.4	-82	164	0	0	0	111.9	I14 F15 L20 A21 I22	I14-L18 HydrophobicContact CG2-CD1 3.83Å; I14-L18 WeakPolarHBondContact O-CB 3.49Å; I14-L18 WeakPolarHBondContact O-CG 3.03Å; I14-L18 PolarHBondContact O-N 2.9Å; F15-L18 PolarHBondContact O-N 2.83Å; L18-L20 PolarHBondContact O-N 3.19Å; L18-A21 PolarHBondContact O-N 2.92Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.44Å
19	L	62.7	Low	64.4	Low	81 Å²	81	86 Å²	86	42%	0.424	46%	0.455	S	S	.	.	H	α-helix	trans	-62.4	-44.4	178.2	-171.1	150.2	0	0	0	111.1	F15 G16 A21 I22 L23	F15-L19 HydrophobicContact CE1-CD1 4.1Å; F15-L19 HydrophobicContact CZ-CD1 4.02Å; F15-L19 WeakPolarHBondContact O-CB 3.43Å; F15-L19 PolarHBondContact O-N 3.48Å; G16-L19 PolarHBondContact O-N 3.34Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.3Å; L19-I22 PolarHBondContact O-N 3.17Å; L19-L23 HydrophobicContact CD2-CD1 3.56Å; L19-L23 HydrophobicContact CD2-CG 4.19Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 2.85Å
20	L	68.8	Low	64	Low	118 Å²	118	84.5 Å²	84.5	62%	0.618	45%	0.446	S	S	*	.	H	α-helix	trans	-65.7	-37.8	177.8	-141.6	162.2	0	0	0	111.2	G16 L18 L23 A24	G16-L20 VanDerWaalsContact O-CB 3.23Å; G16-L20 WeakPolarHBondContact O-CB 3.44Å; G16-L20 PolarHBondContact O-N 2.85Å; L18-L20 PolarHBondContact O-N 3.19Å; L20-L23 PolarHBondContact O-N 3.13Å; L20-A24 WeakPolarHBondContact O-CB 3.45Å; L20-A24 PolarHBondContact O-N 3.4Å
21	A	68.3	Low	63.9	Low	53 Å²	53	89 Å²	89	44%	0.438	46%	0.458	S	S	.	.	H	α-helix	trans	-64.4	-42.1	174.9	0	0	0	0	0	112.3	L17 L18 L19 A24 F25	L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.3Å; L18-A21 PolarHBondContact O-N 2.92Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.3Å; A21-A24 PolarHBondContact O-N 3.15Å; A21-F25 VanDerWaalsContact O-CB 3.29Å; A21-F25 WeakPolarHBondContact O-CB 3.37Å; A21-F25 PolarHBondContact O-N 3.28Å
22	I	61.3	Low	63.6	Low	55 Å²	55	95.7 Å²	95.7	28%	0.282	48%	0.481	S	S	.	.	H	α-helix	trans	-65.7	-46.6	176.6	-65.1	162.9	0	0	0	110.4	L18 L19 A24 F25 C26 I56	L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.44Å; L19-I22 PolarHBondContact O-N 3.17Å; I22-A24 PolarHBondContact O-N 3.1Å; I22-F25 PolarHBondContact O-N 3.38Å; I22-C26 VanDerWaalsContact O-CB 3.29Å; I22-C26 WeakPolarHBondContact O-CB 3.36Å; I22-C26 PolarHBondContact O-N 2.92Å; I22-I56 HydrophobicContact CG2-CG1 4.47Å
23	L	63.2	Low	63.2	Low	108 Å²	108	94.1 Å²	94.1	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-62.1	-42.1	176.6	-75.3	179.8	0	0	0	112.2	L19 L20 C26 W27	L19-L23 HydrophobicContact CD2-CD1 3.56Å; L19-L23 HydrophobicContact CD2-CG 4.19Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 2.85Å; L20-L23 PolarHBondContact O-N 3.13Å; L23-C26 PolarHBondContact O-N 3.15Å; L23-W27 VanDerWaalsContact O-CB 3.32Å; L23-W27 WeakPolarHBondContact O-CB 3.38Å; L23-W27 PolarHBondContact O-N 3.29Å
24	A	70.4	Confident	62.3	Low	44 Å²	44	96.8 Å²	96.8	36%	0.364	48%	0.48	S	S	.	.	H	α-helix	trans	-65.4	-43.7	177.2	0	0	0	0	0	111.4	L20 A21 I22 C26 W27 V28	L20-A24 WeakPolarHBondContact O-CB 3.45Å; L20-A24 PolarHBondContact O-N 3.4Å; A21-A24 PolarHBondContact O-N 3.15Å; I22-A24 PolarHBondContact O-N 3.1Å; A24-C26 VanDerWaalsContact C-N 3.33Å; A24-C26 PolarHBondContact O-N 2.93Å; A24-W27 PolarHBondContact O-N 2.98Å; A24-V28 WeakPolarHBondContact O-CB 3.18Å; A24-V28 WeakPolarHBondContact O-CG2 3.05Å; A24-V28 PolarHBondContact O-N 3.35Å
25	F	67.5	Low	61.2	Low	140 Å²	140	97.8 Å²	97.8	61%	0.614	50%	0.495	S	S	*	.	H	α-helix	trans	-60.2	-46	175	-173.3	-96.8	0	0	0	110.7	A21 I22 V28 Y29	A21-F25 VanDerWaalsContact O-CB 3.29Å; A21-F25 WeakPolarHBondContact O-CB 3.37Å; A21-F25 PolarHBondContact O-N 3.28Å; I22-F25 PolarHBondContact O-N 3.38Å; F25-V28 PolarHBondContact O-N 3Å; F25-Y29 HydrophobicContact CE1-CD2 4.12Å; F25-Y29 HydrophobicContact CZ-CD2 4.11Å; F25-Y29 HydrophobicContact CZ-CE2 4.46Å; F25-Y29 VanDerWaalsContact O-CB 3.28Å; F25-Y29 WeakPolarHBondContact O-CB 3.29Å; F25-Y29 PolarHBondContact O-N 2.75Å
26	C	58.6	Low	60.6	Low	31 Å²	31	102.1 Å²	102.1	21%	0.209	52%	0.516	C	S	.	.	H	α-helix	trans	-62.3	-47.8	178.3	-151.1	0	0	0	0	112.1	I22 L23 A24 Y29 V30 I56	I22-C26 VanDerWaalsContact O-CB 3.29Å; I22-C26 WeakPolarHBondContact O-CB 3.36Å; I22-C26 PolarHBondContact O-N 2.92Å; L23-C26 PolarHBondContact O-N 3.15Å; A24-C26 VanDerWaalsContact C-N 3.33Å; A24-C26 PolarHBondContact O-N 2.93Å; C26-Y29 PolarHBondContact O-N 3.25Å; C26-V30 VanDerWaalsContact O-CG2 3.3Å; C26-V30 WeakPolarHBondContact O-CG2 3.32Å; C26-V30 PolarHBondContact O-N 3.48Å; C26-I56 HydrophobicContact CB-CD1 4.46Å; C26-I56 WeakPolarHBondContact SG-CD1 3.14Å
27	W	59.6	Low	59.8	Low	175 Å²	175	107 Å²	107	66%	0.663	52%	0.524	S	S	*	.	H	α-helix	trans	-57.3	-52.5	175.3	-175.6	-42.9	0	0	0	110.9	L23 A24 Y29 V30 R31	L23-W27 VanDerWaalsContact O-CB 3.32Å; L23-W27 WeakPolarHBondContact O-CB 3.38Å; L23-W27 PolarHBondContact O-N 3.29Å; A24-W27 PolarHBondContact O-N 2.98Å; W27-Y29 VanDerWaalsContact C-N 3.27Å; W27-Y29 PolarHBondContact O-N 3.32Å; W27-V30 PolarHBondContact O-N 3.12Å; W27-R31 VanDerWaalsContact O-CB 3.3Å; W27-R31 WeakPolarHBondContact O-CB 3.31Å; W27-R31 PolarHBondContact O-N 2.82Å
28	V	67.6	Low	58.7	Low	90 Å²	90	110 Å²	110	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-60.4	-41.3	-178.3	168.9	0	0	0	0	110.4	A24 F25 K32	A24-V28 WeakPolarHBondContact O-CB 3.18Å; A24-V28 WeakPolarHBondContact O-CG2 3.05Å; A24-V28 PolarHBondContact O-N 3.35Å; F25-V28 PolarHBondContact O-N 3Å; V28-K32 WeakPolarHBondContact O-CB 2.91Å; V28-K32 PolarHBondContact O-N 3.43Å
29	Y	59.6	Low	57.8	Low	101 Å²	101	109.5 Å²	109.5	40%	0.396	54%	0.539	S	S	.	.	H	α-helix	trans	-63.3	-49.3	178.3	-149.3	-85.4	0	0	0	111.6	F25 C26 W27 K32 Y33 I48	F25-Y29 HydrophobicContact CE1-CD2 4.12Å; F25-Y29 HydrophobicContact CZ-CD2 4.11Å; F25-Y29 HydrophobicContact CZ-CE2 4.46Å; F25-Y29 VanDerWaalsContact O-CB 3.28Å; F25-Y29 WeakPolarHBondContact O-CB 3.29Å; F25-Y29 PolarHBondContact O-N 2.75Å; C26-Y29 PolarHBondContact O-N 3.25Å; W27-Y29 VanDerWaalsContact C-N 3.27Å; W27-Y29 PolarHBondContact O-N 3.32Å; Y29-K32 PolarHBondContact O-N 3.22Å; Y29-Y33 HydrophobicContact CE1-CD2 4.31Å; Y29-Y33 PolarHBondContact O-N 3.34Å; Y29-Y33 VanDerWaalsContact O-N 3.11Å; Y29-I48 HydrophobicContact CD1-CG2 4.07Å; Y29-I48 HydrophobicContact CE1-CG2 3.62Å
30	V	56.4	Low	57.3	Low	59 Å²	59	111.4 Å²	111.4	36%	0.358	55%	0.546	S	S	.	.	H	α-helix	trans	-60.7	-47.3	177.2	171.2	0	0	0	0	111.2	C26 W27 Y33 Q34	C26-V30 VanDerWaalsContact O-CG2 3.3Å; C26-V30 WeakPolarHBondContact O-CG2 3.32Å; C26-V30 PolarHBondContact O-N 3.48Å; W27-V30 PolarHBondContact O-N 3.12Å; V30-Y33 PolarHBondContact O-N 2.82Å; V30-Q34 HydrophobicContact CG1-CG 4.3Å; V30-Q34 WeakPolarHBondContact O-CB 3.34Å; V30-Q34 WeakPolarHBondContact O-CG 3.43Å; V30-Q34 PolarHBondContact O-N 3.3Å
31	R	58.6	Low	56.5	Low	174 Å²	174	106.9 Å²	106.9	66%	0.657	52%	0.523	S	S	*	.	H	α-helix	trans	-68.9	-36.6	-177.3	-164.7	178.2	-169	176.1	2.9	112.4	W27	W27-R31 VanDerWaalsContact O-CB 3.3Å; W27-R31 WeakPolarHBondContact O-CB 3.31Å; W27-R31 PolarHBondContact O-N 2.82Å
32	K	57.4	Low	55.9	Low	161 Å²	161	106 Å²	106	70%	0.7	51%	0.512	S	S	*	.	H	α-helix	trans	-70.4	-32.4	178.3	-172	155.1	-179.6	162.9	0	112	V28 Y29	V28-K32 WeakPolarHBondContact O-CB 2.91Å; V28-K32 PolarHBondContact O-N 3.43Å; Y29-K32 PolarHBondContact O-N 3.22Å
33	Y	51.6	Low	55.6	Low	104 Å²	104	106.6 Å²	106.6	41%	0.408	52%	0.521	S	S	.	.	H	α-helix	trans	-88.4	-30.9	178	-112.4	-86.3	0	0	0	114.4	Y29 V30 S35 Q36 I48	Y29-Y33 HydrophobicContact CE1-CD2 4.31Å; Y29-Y33 PolarHBondContact O-N 3.34Å; Y29-Y33 VanDerWaalsContact O-N 3.11Å; V30-Y33 PolarHBondContact O-N 2.82Å; Y33-S35 PolarHBondContact O-N 2.73Å; Y33-Q36 PolarHBondContact O-N 3.47Å; Y33-I48 HydrophobicContact CD1-CD1 3.42Å; Y33-I48 VanDerWaalsContact CD1-CD1 3.42Å; Y33-I48 HydrophobicContact CD2-CD1 4.36Å; Y33-I48 HydrophobicContact CE1-CD1 3.17Å; Y33-I48 HydrophobicContact CE2-CD1 4.16Å; Y33-I48 HydrophobicContact CG-CD1 4.01Å
34	Q	47	Very low	55.7	Low	136 Å²	136	103.9 Å²	103.9	64%	0.636	51%	0.509	S	S	*	.	H	α-helix	trans	-62.3	-31.4	174.7	-86.6	-156.4	-4.9	0	0	113.1	V30 Q36	V30-Q34 HydrophobicContact CG1-CG 4.3Å; V30-Q34 WeakPolarHBondContact O-CB 3.34Å; V30-Q34 WeakPolarHBondContact O-CG 3.43Å; V30-Q34 PolarHBondContact O-N 3.3Å; Q34-Q36 VanDerWaalsContact C-N 3.3Å; Q34-Q36 PolarHBondContact O-N 2.89Å
35	S	45.5	Very low	55.5	Low	110 Å²	110	103.2 Å²	103.2	77%	0.769	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.3	-174	-169.3	0	0	0	0	114.4	Y33	Y33-S35 PolarHBondContact O-N 2.73Å
36	Q	47	Very low	55.4	Low	157 Å²	157	97.3 Å²	97.3	73%	0.734	48%	0.476	S	S	*	.	S	Bend	trans	-117.7	8.3	-159.3	-131.5	-162.4	18.6	0	0	118.4	Y33 Q34	Y33-Q36 PolarHBondContact O-N 3.47Å; Q34-Q36 VanDerWaalsContact C-N 3.3Å; Q34-Q36 PolarHBondContact O-N 2.89Å
37	R	47.7	Very low	55.8	Low	135 Å²	135	98.8 Å²	98.8	51%	0.509	49%	0.49	S	S	.	.			trans	-151	137.8	174.3	-122.4	152.2	157	-164.7	-14	112.5	E40 V41	R37-E40 IonicContact CZ-OE2 3.97Å; R37-E40 IonicContact NH2-OE2 3.09Å; R37-E40 PolarHBondContact NH2-OE2 3.44Å; R37-E40 VanDerWaalsContact NH2-OE2 3.09Å; R37-V41 HydrophobicContact CB-CB 4.07Å; R37-V41 HydrophobicContact CB-CG1 3.51Å; R37-V41 HydrophobicContact CB-CG2 3.99Å; R37-V41 WeakPolarHBondContact O-CG1 3.07Å; R37-V41 WeakPolarHBondContact O-CG2 3.4Å
38	E	48.1	Very low	56.1	Low	189 Å²	189	92 Å²	92	88%	0.883	47%	0.467	S	S	*	.	S	Bend	trans	-94.7	141.7	164.6	-70.1	-168.8	105.6	0	0	108.5	E40	E38-E40 PolarHBondContact O-N 3.48Å
39	S	45.9	Very low	56.1	Low	78 Å²	78	90.2 Å²	90.2	55%	0.545	45%	0.452	S	S	.	.	S	Bend	trans	58.4	-38.6	174	-97.3	0	0	0	0	123.4	V41 K123	S39-V41 VanDerWaalsContact C-N 3.33Å; S39-K123 PolarHBondContact O-NZ 3.43Å; S39-K123 WeakPolarHBondContact OG-CE 3.3Å; S39-K123 PolarHBondContact OG-NZ 2.83Å
40	E	53.4	Low	56.2	Low	121 Å²	121	88 Å²	88	57%	0.565	45%	0.451	S	S	*	.	S	Bend	trans	-90.4	-1.3	174.8	-65.2	-172.3	121.6	0	0	114	R37 E38 V42 T44	R37-E40 IonicContact CZ-OE2 3.97Å; R37-E40 IonicContact NH2-OE2 3.09Å; R37-E40 PolarHBondContact NH2-OE2 3.44Å; R37-E40 VanDerWaalsContact NH2-OE2 3.09Å; E38-E40 PolarHBondContact O-N 3.48Å; E40-V42 PolarHBondContact O-N 2.92Å; E40-T44 PolarHBondContact O-OG1 3.02Å
41	V	51.3	Low	56.7	Low	23 Å²	23	90.3 Å²	90.3	14%	0.139	46%	0.461	C	S	.	.	H	α-helix	trans	-58.3	-40.5	-172.2	-136.3	0	0	0	0	113.2	R37 S39 T44 V45	R37-V41 HydrophobicContact CB-CB 4.07Å; R37-V41 HydrophobicContact CB-CG1 3.51Å; R37-V41 HydrophobicContact CB-CG2 3.99Å; R37-V41 WeakPolarHBondContact O-CG1 3.07Å; R37-V41 WeakPolarHBondContact O-CG2 3.4Å; S39-V41 VanDerWaalsContact C-N 3.33Å; V41-T44 PolarHBondContact O-N 3.35Å; V41-V45 HydrophobicContact CB-CG2 4.47Å; V41-V45 HydrophobicContact CG1-CG2 3.87Å; V41-V45 WeakPolarHBondContact O-CA 3.13Å; V41-V45 WeakPolarHBondContact O-CB 3.36Å; V41-V45 WeakPolarHBondContact O-CG2 3.43Å; V41-V45 PolarHBondContact O-N 3.44Å
42	V	55.4	Low	57	Low	34 Å²	34	82.9 Å²	82.9	21%	0.206	44%	0.436	C	S	.	.	H	α-helix	trans	-75	-39.2	-160	-175.1	0	0	0	0	112.4	E40 V45 T46 V116 Y119	E40-V42 PolarHBondContact O-N 2.92Å; V42-V45 PolarHBondContact O-N 3.43Å; V42-T46 WeakPolarHBondContact O-CB 3.4Å; V42-T46 PolarHBondContact O-N 3.36Å; V42-T46 PolarHBondContact O-OG1 3.23Å; V42-V116 HydrophobicContact CG1-CG1 4.07Å; V42-V116 HydrophobicContact CG1-CG2 4.14Å; V42-Y119 HydrophobicContact CB-CD1 4.26Å; V42-Y119 HydrophobicContact CB-CE1 4.26Å; V42-Y119 HydrophobicContact CG1-CD1 3.9Å; V42-Y119 HydrophobicContact CG1-CE1 4.3Å; V42-Y119 HydrophobicContact CG2-CD1 4.06Å; V42-Y119 HydrophobicContact CG2-CE1 3.6Å
43	S	54.9	Low	57.4	Low	69 Å²	69	76.1 Å²	76.1	48%	0.483	41%	0.409	S	S	.	.	H	α-helix	trans	-64.8	-46.5	173.5	-179.6	0	0	0	0	111.1	V45 T46 A47	S43-V45 PolarHBondContact O-N 2.99Å; S43-T46 PolarHBondContact O-N 3.15Å; S43-A47 PolarHBondContact O-N 3.02Å
44	T	65.6	Low	58.1	Low	51 Å²	51	73.6 Å²	73.6	31%	0.313	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-40.9	177.7	-44.3	0	0	0	0	111.8	E40 V41 T46 A47 I48	E40-T44 PolarHBondContact O-OG1 3.02Å; V41-T44 PolarHBondContact O-N 3.35Å; T44-T46 VanDerWaalsContact C-N 3.29Å; T44-T46 PolarHBondContact O-N 3.33Å; T44-A47 PolarHBondContact O-N 2.82Å; T44-I48 HydrophobicContact CG2-CD1 3.83Å; T44-I48 HydrophobicContact CG2-CG1 4.5Å; T44-I48 VanDerWaalsContact O-CB 3.32Å; T44-I48 WeakPolarHBondContact O-CB 3.46Å; T44-I48 WeakPolarHBondContact O-CD1 3.4Å; T44-I48 WeakPolarHBondContact O-CG1 3.02Å; T44-I48 PolarHBondContact O-N 2.79Å
45	V	67.1	Low	58.7	Low	30 Å²	30	72.2 Å²	72.2	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-63.2	-37.5	176.5	163.6	0	0	0	0	110.7	V41 V42 S43 I48 F49 W112	V41-V45 HydrophobicContact CB-CG2 4.47Å; V41-V45 HydrophobicContact CG1-CG2 3.87Å; V41-V45 WeakPolarHBondContact O-CA 3.13Å; V41-V45 WeakPolarHBondContact O-CB 3.36Å; V41-V45 WeakPolarHBondContact O-CG2 3.43Å; V41-V45 PolarHBondContact O-N 3.44Å; V42-V45 PolarHBondContact O-N 3.43Å; S43-V45 PolarHBondContact O-N 2.99Å; V45-I48 PolarHBondContact O-N 3.01Å; V45-F49 WeakPolarHBondContact O-CB 3.35Å; V45-F49 PolarHBondContact O-N 3.11Å; V45-W112 HydrophobicContact CG1-CZ2 4.26Å
46	T	66	Low	59.7	Low	16 Å²	16	68.7 Å²	68.7	10%	0.098	38%	0.378	C	S	.	.	H	α-helix	trans	-73.4	-39.2	-179.9	-59.7	0	0	0	0	112.5	V42 S43 T44 F49 S50 W112 V116	V42-T46 WeakPolarHBondContact O-CB 3.4Å; V42-T46 PolarHBondContact O-N 3.36Å; V42-T46 PolarHBondContact O-OG1 3.23Å; S43-T46 PolarHBondContact O-N 3.15Å; T44-T46 VanDerWaalsContact C-N 3.29Å; T44-T46 PolarHBondContact O-N 3.33Å; T46-F49 PolarHBondContact O-N 3.05Å; T46-S50 WeakPolarHBondContact O-CB 2.92Å; T46-S50 PolarHBondContact O-N 3.38Å; T46-S50 PolarHBondContact O-OG 3.33Å; T46-W112 PolarHBondContact OG1-NE1 2.91Å; T46-V116 HydrophobicContact CG2-CB 4.19Å; T46-V116 HydrophobicContact CG2-CG1 3.98Å; T46-V116 HydrophobicContact CG2-CG2 4.05Å; T46-V116 VanDerWaalsContact OG1-CG1 3.29Å; T46-V116 WeakPolarHBondContact OG1-CG1 3.32Å; T46-V116 WeakPolarHBondContact OG1-CG2 3.3Å
47	A	66.4	Low	60.6	Low	61 Å²	61	63.2 Å²	63.2	50%	0.504	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-47.3	170.3	0	0	0	0	0	110.8	S43 T44 F49 S50 L51	S43-A47 PolarHBondContact O-N 3.02Å; T44-A47 PolarHBondContact O-N 2.82Å; A47-F49 PolarHBondContact O-N 2.81Å; A47-S50 PolarHBondContact O-N 3.37Å; A47-L51 VanDerWaalsContact O-CB 3.25Å; A47-L51 WeakPolarHBondContact O-CB 3.48Å; A47-L51 PolarHBondContact O-N 2.91Å
48	I	65.3	Low	61.6	Low	33 Å²	33	60.3 Å²	60.3	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-41	178.6	-72.1	167.7	0	0	0	111.8	Y29 Y33 T44 V45 L51 A52	Y29-I48 HydrophobicContact CD1-CG2 4.07Å; Y29-I48 HydrophobicContact CE1-CG2 3.62Å; Y33-I48 HydrophobicContact CD1-CD1 3.42Å; Y33-I48 VanDerWaalsContact CD1-CD1 3.42Å; Y33-I48 HydrophobicContact CD2-CD1 4.36Å; Y33-I48 HydrophobicContact CE1-CD1 3.17Å; Y33-I48 HydrophobicContact CE2-CD1 4.16Å; Y33-I48 HydrophobicContact CG-CD1 4.01Å; T44-I48 HydrophobicContact CG2-CD1 3.83Å; T44-I48 HydrophobicContact CG2-CG1 4.5Å; T44-I48 VanDerWaalsContact O-CB 3.32Å; T44-I48 WeakPolarHBondContact O-CB 3.46Å; T44-I48 WeakPolarHBondContact O-CD1 3.4Å; T44-I48 WeakPolarHBondContact O-CG1 3.02Å; T44-I48 PolarHBondContact O-N 2.79Å; V45-I48 PolarHBondContact O-N 3.01Å; I48-L51 PolarHBondContact O-N 3.46Å; I48-A52 VanDerWaalsContact O-CB 3.3Å; I48-A52 WeakPolarHBondContact O-CB 3.35Å; I48-A52 PolarHBondContact O-N 2.89Å
49	F	67	Low	62.2	Low	53 Å²	53	53.4 Å²	53.4	23%	0.232	33%	0.331	C	S	.	.	H	α-helix	trans	-67	-44.4	178.9	-174.3	-110.2	0	0	0	111.1	V45 T46 A47 L51 A52 V53 C108 W112	V45-F49 WeakPolarHBondContact O-CB 3.35Å; V45-F49 PolarHBondContact O-N 3.11Å; T46-F49 PolarHBondContact O-N 3.05Å; A47-F49 PolarHBondContact O-N 2.81Å; F49-L51 VanDerWaalsContact C-N 3.3Å; F49-L51 PolarHBondContact O-N 3.12Å; F49-A52 PolarHBondContact O-N 3.47Å; F49-V53 HydrophobicContact CD1-CG2 4.48Å; F49-V53 HydrophobicContact CE1-CG2 4.28Å; F49-V53 HydrophobicContact CZ-CG2 4.28Å; F49-V53 VanDerWaalsContact O-CG2 3.3Å; F49-V53 WeakPolarHBondContact O-CG2 3.2Å; F49-V53 PolarHBondContact O-N 2.86Å; F49-C108 HydrophobicContact CE1-CB 3.76Å; F49-C108 WeakPolarHBondContact CE1-SG 3.29Å; F49-C108 HydrophobicContact CZ-CB 4.48Å; F49-C108 WeakPolarHBondContact CZ-SG 3.28Å; F49-W112 AromaticContact CD1-CD1 3.81Å; F49-W112 HydrophobicContact CD1-CD2 4.05Å; F49-W112 AromaticContact CD1-CG 3.93Å; F49-W112 HydrophobicContact CD1-CG 3.93Å; F49-W112 AromaticContact CD1-NE1 3.87Å; F49-W112 HydrophobicContact CE1-CB 4.43Å; F49-W112 HydrophobicContact CE1-CD2 4.01Å; F49-W112 HydrophobicContact CE1-CE3 4.42Å; F49-W112 HydrophobicContact CE1-CG 4.01Å
50	S	63.4	Low	62.9	Low	54 Å²	54	51.5 Å²	51.5	38%	0.378	31%	0.314	S	S	.	.	H	α-helix	trans	-60.5	-40.9	173.2	-60	0	0	0	0	111.6	T46 A47 V53 A54	T46-S50 WeakPolarHBondContact O-CB 2.92Å; T46-S50 PolarHBondContact O-N 3.38Å; T46-S50 PolarHBondContact O-OG 3.33Å; A47-S50 PolarHBondContact O-N 3.37Å; S50-V53 PolarHBondContact O-N 2.93Å; S50-A54 WeakPolarHBondContact O-CB 2.97Å; S50-A54 PolarHBondContact O-N 2.87Å
51	L	65.1	Low	63.3	Low	107 Å²	107	50.7 Å²	50.7	56%	0.56	31%	0.313	S	S	*	.	H	α-helix	trans	-68	-37.9	177.4	-156.4	155.3	0	0	0	111.5	A47 I48 F49 A54 L55	A47-L51 VanDerWaalsContact O-CB 3.25Å; A47-L51 WeakPolarHBondContact O-CB 3.48Å; A47-L51 PolarHBondContact O-N 2.91Å; I48-L51 PolarHBondContact O-N 3.46Å; F49-L51 VanDerWaalsContact C-N 3.3Å; F49-L51 PolarHBondContact O-N 3.12Å; L51-A54 PolarHBondContact O-N 3.44Å; L51-L55 HydrophobicContact CD2-CD1 3.51Å; L51-L55 HydrophobicContact CD2-CG 4.11Å; L51-L55 WeakPolarHBondContact O-CB 3.47Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.88Å
52	A	66.3	Low	63.6	Low	18 Å²	18	52.4 Å²	52.4	15%	0.149	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-44.9	174.4	0	0	0	0	0	111.7	I48 F49 A54 L55 I56	I48-A52 VanDerWaalsContact O-CB 3.3Å; I48-A52 WeakPolarHBondContact O-CB 3.35Å; I48-A52 PolarHBondContact O-N 2.89Å; F49-A52 PolarHBondContact O-N 3.47Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 2.94Å; A52-L55 PolarHBondContact O-N 2.88Å; A52-I56 WeakPolarHBondContact O-CD1 3.32Å; A52-I56 WeakPolarHBondContact O-CG1 3.14Å; A52-I56 PolarHBondContact O-N 3.41Å
53	V	64.4	Low	63.7	Low	20 Å²	20	53 Å²	53	12%	0.121	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-42.1	175.4	172.5	0	0	0	0	110.8	F49 S50 I56 T57 I105 C108	F49-V53 HydrophobicContact CD1-CG2 4.48Å; F49-V53 HydrophobicContact CE1-CG2 4.28Å; F49-V53 HydrophobicContact CZ-CG2 4.28Å; F49-V53 VanDerWaalsContact O-CG2 3.3Å; F49-V53 WeakPolarHBondContact O-CG2 3.2Å; F49-V53 PolarHBondContact O-N 2.86Å; S50-V53 PolarHBondContact O-N 2.93Å; V53-I56 PolarHBondContact O-N 2.84Å; V53-T57 WeakPolarHBondContact O-CB 3.28Å; V53-T57 PolarHBondContact O-N 3.19Å; V53-T57 PolarHBondContact O-OG1 2.84Å; V53-I105 HydrophobicContact CG1-CB 4.23Å; V53-I105 HydrophobicContact CG1-CG1 3.6Å; V53-I105 HydrophobicContact CG1-CG2 4.28Å; V53-C108 HydrophobicContact CG2-CB 4.43Å
54	A	66.3	Low	63.9	Low	51 Å²	51	52.9 Å²	52.9	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-40.2	174.8	0	0	0	0	0	112.6	S50 L51 A52 T57 S58	S50-A54 WeakPolarHBondContact O-CB 2.97Å; S50-A54 PolarHBondContact O-N 2.87Å; L51-A54 PolarHBondContact O-N 3.44Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-A54 PolarHBondContact O-N 2.94Å; A54-T57 PolarHBondContact O-N 3.18Å; A54-S58 WeakPolarHBondContact O-CB 3.22Å; A54-S58 PolarHBondContact O-N 3.25Å; A54-S58 PolarHBondContact O-OG 2.88Å
55	L	61.5	Low	63.8	Low	106 Å²	106	55.5 Å²	55.5	56%	0.555	33%	0.334	S	S	*	.	H	α-helix	trans	-65.5	-41.5	174.8	-83.8	167	0	0	0	112	L51 A52 S58 A59	L51-L55 HydrophobicContact CD2-CD1 3.51Å; L51-L55 HydrophobicContact CD2-CG 4.11Å; L51-L55 WeakPolarHBondContact O-CB 3.47Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.88Å; A52-L55 PolarHBondContact O-N 2.88Å; L55-S58 PolarHBondContact O-N 3.31Å; L55-A59 VanDerWaalsContact O-CB 3.24Å; L55-A59 WeakPolarHBondContact O-CB 3.37Å; L55-A59 PolarHBondContact O-N 3.34Å
56	I	64.8	Low	63.5	Low	36 Å²	36	61.6 Å²	61.6	19%	0.185	36%	0.358	C	S	.	.	H	α-helix	trans	-63.3	-45.7	176.3	-68.7	162.8	0	0	0	110.3	I22 C26 A52 V53 S58 A59 L60 L101	I22-I56 HydrophobicContact CG2-CG1 4.47Å; C26-I56 HydrophobicContact CB-CD1 4.46Å; C26-I56 WeakPolarHBondContact SG-CD1 3.14Å; A52-I56 WeakPolarHBondContact O-CD1 3.32Å; A52-I56 WeakPolarHBondContact O-CG1 3.14Å; A52-I56 PolarHBondContact O-N 3.41Å; V53-I56 PolarHBondContact O-N 2.84Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 3.5Å; I56-A59 PolarHBondContact O-N 2.86Å; I56-L60 PolarHBondContact O-N 2.85Å; I56-L101 HydrophobicContact CG2-CD2 3.73Å
57	T	67.3	Low	63	Low	43 Å²	43	62.5 Å²	62.5	26%	0.264	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-42.7	176.9	-48.5	0	0	0	0	111.2	V53 A54 L60 I105	V53-T57 WeakPolarHBondContact O-CB 3.28Å; V53-T57 PolarHBondContact O-N 3.19Å; V53-T57 PolarHBondContact O-OG1 2.84Å; A54-T57 PolarHBondContact O-N 3.18Å; T57-L60 WeakPolarHBondContact O-CB 3.41Å; T57-L60 PolarHBondContact O-N 3.07Å; T57-I105 HydrophobicContact CG2-CD1 3.85Å; T57-I105 WeakPolarHBondContact OG1-CD1 3.37Å
58	S	69	Low	62.6	Low	73 Å²	73	63.2 Å²	63.2	51%	0.51	36%	0.36	S	S	.	.	H	α-helix	trans	-69.9	-33.7	178.1	-57.2	0	0	0	0	112.8	A54 L55 I56 L60 P62	A54-S58 WeakPolarHBondContact O-CB 3.22Å; A54-S58 PolarHBondContact O-N 3.25Å; A54-S58 PolarHBondContact O-OG 2.88Å; L55-S58 PolarHBondContact O-N 3.31Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 3.5Å; S58-L60 VanDerWaalsContact C-N 3.27Å; S58-P62 WeakPolarHBondContact O-CD 3.46Å
59	A	59.5	Low	62.1	Low	44 Å²	44	65.3 Å²	65.3	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-75.6	-17.2	174.6	0	0	0	0	0	112.6	L55 I56 P62 V63	L55-A59 VanDerWaalsContact O-CB 3.24Å; L55-A59 WeakPolarHBondContact O-CB 3.37Å; L55-A59 PolarHBondContact O-N 3.34Å; I56-A59 PolarHBondContact O-N 2.86Å; A59-P62 WeakPolarHBondContact O-CD 3.43Å; A59-P62 VanDerWaalsContact O-CG 3.29Å; A59-P62 WeakPolarHBondContact O-CG 3.5Å; A59-V63 WeakPolarHBondContact O-CG2 3.45Å
60	L	60.6	Low	61.6	Low	38 Å²	38	68 Å²	68	20%	0.199	39%	0.387	C	S	.	.	H	α-helix	trans	-75.1	-32.8	174.9	-128.5	79.4	0	0	0	113.1	I56 T57 S58 V63 D64 L101	I56-L60 PolarHBondContact O-N 2.85Å; T57-L60 WeakPolarHBondContact O-CB 3.41Å; T57-L60 PolarHBondContact O-N 3.07Å; S58-L60 VanDerWaalsContact C-N 3.27Å; L60-V63 WeakPolarHBondContact O-CB 3.25Å; L60-V63 PolarHBondContact O-N 2.92Å; L60-V63 VanDerWaalsContact O-N 3.17Å; L60-D64 PolarHBondContact O-N 2.76Å; L60-L101 HydrophobicContact CD1-CD1 3.68Å; L60-L101 HydrophobicContact CD1-CD2 4.3Å; L60-L101 HydrophobicContact CD2-CB 4.17Å; L60-L101 HydrophobicContact CD2-CD1 3.3Å; L60-L101 HydrophobicContact CD2-CD2 4.49Å; L60-L101 HydrophobicContact CD2-CG 4.15Å; L60-L101 HydrophobicContact CG-CD1 4.07Å
61	L	62.3	Low	61.1	Low	104 Å²	104	67.4 Å²	67.4	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-56.3	-49.4	175.5	-79.3	163.9	0	0	0	113.8	V63 D64 I65	L61-V63 VanDerWaalsContact C-N 3.29Å; L61-V63 PolarHBondContact O-N 3.48Å; L61-D64 WeakPolarHBondContact O-CB 3.41Å; L61-D64 PolarHBondContact O-N 2.98Å; L61-I65 VanDerWaalsContact O-CG1 3.31Å; L61-I65 WeakPolarHBondContact O-CG1 3.35Å; L61-I65 PolarHBondContact O-N 3.5Å; L61-I65 VanDerWaalsContact O-N 3.08Å
62	P	57.3	Low	60.3	Low	59 Å²	59	68.4 Å²	68.4	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-32.6	175.4	21.8	-29.8	0	0	0	112	S58 A59 I65 F66	S58-P62 WeakPolarHBondContact O-CD 3.46Å; A59-P62 WeakPolarHBondContact O-CD 3.43Å; A59-P62 VanDerWaalsContact O-CG 3.29Å; A59-P62 WeakPolarHBondContact O-CG 3.5Å; P62-I65 PolarHBondContact O-N 2.73Å; P62-F66 WeakPolarHBondContact O-CB 3.21Å; P62-F66 VanDerWaalsContact O-CD2 3.22Å; P62-F66 WeakPolarHBondContact O-CD2 3.46Å; P62-F66 PolarHBondContact O-N 3.42Å
63	V	57.8	Low	59.6	Low	48 Å²	48	70.2 Å²	70.2	29%	0.291	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-43.2	174.7	171.2	0	0	0	0	111.4	A59 L60 L61 F66 L67	A59-V63 WeakPolarHBondContact O-CG2 3.45Å; L60-V63 WeakPolarHBondContact O-CB 3.25Å; L60-V63 PolarHBondContact O-N 2.92Å; L60-V63 VanDerWaalsContact O-N 3.17Å; L61-V63 VanDerWaalsContact C-N 3.29Å; L61-V63 PolarHBondContact O-N 3.48Å; V63-F66 PolarHBondContact O-N 2.76Å; V63-L67 VanDerWaalsContact O-CB 3.32Å; V63-L67 WeakPolarHBondContact O-CB 3.39Å; V63-L67 PolarHBondContact O-N 3.43Å
64	D	59.6	Low	58.9	Low	65 Å²	65	79.2 Å²	79.2	35%	0.348	43%	0.426	S	S	.	.	H	α-helix	trans	-58.3	-50.2	174.6	-179.2	75	0	0	0	111.3	L60 L61 F66 L67 V68	L60-D64 PolarHBondContact O-N 2.76Å; L61-D64 WeakPolarHBondContact O-CB 3.41Å; L61-D64 PolarHBondContact O-N 2.98Å; D64-F66 PolarHBondContact O-N 3.42Å; D64-L67 PolarHBondContact O-N 3.21Å; D64-V68 WeakPolarHBondContact O-CG2 3.37Å; D64-V68 PolarHBondContact O-N 2.95Å
65	I	63.8	Low	58	Low	107 Å²	107	83.7 Å²	83.7	55%	0.549	44%	0.443	S	S	.	.	H	α-helix	trans	-59.8	-45.6	177	-65.4	164.1	0	0	0	111.1	L61 P62 L67 S69	L61-I65 VanDerWaalsContact O-CG1 3.31Å; L61-I65 WeakPolarHBondContact O-CG1 3.35Å; L61-I65 PolarHBondContact O-N 3.5Å; L61-I65 VanDerWaalsContact O-N 3.08Å; P62-I65 PolarHBondContact O-N 2.73Å; I65-L67 VanDerWaalsContact C-N 3.35Å; I65-L67 PolarHBondContact O-N 3.45Å; I65-S69 VanDerWaalsContact O-CB 3.3Å; I65-S69 WeakPolarHBondContact O-CB 3.11Å; I65-S69 PolarHBondContact O-N 3.39Å
66	F	60.9	Low	57.5	Low	158 Å²	158	80.9 Å²	80.9	69%	0.693	44%	0.44	S	S	*	.	H	α-helix	trans	-63.9	-39.5	179.3	-96.5	-75.1	0	0	0	112.2	P62 V63 D64 S69 Y70	P62-F66 WeakPolarHBondContact O-CB 3.21Å; P62-F66 VanDerWaalsContact O-CD2 3.22Å; P62-F66 WeakPolarHBondContact O-CD2 3.46Å; P62-F66 PolarHBondContact O-N 3.42Å; V63-F66 PolarHBondContact O-N 2.76Å; D64-F66 PolarHBondContact O-N 3.42Å; F66-S69 CarbonylContact O-C 3.59Å; F66-S69 PolarHBondContact O-N 3.34Å; F66-Y70 WeakPolarHBondContact O-CB 3.13Å; F66-Y70 PolarHBondContact O-N 2.9Å
67	L	55.5	Low	56.7	Low	34 Å²	34	83.2 Å²	83.2	18%	0.178	46%	0.456	C	S	.	.	H	α-helix	trans	-70.8	-45.6	-179.7	-172.8	99.7	0	0	0	111.8	V63 D64 I65 S69 Y70 M71 I90 V94	V63-L67 VanDerWaalsContact O-CB 3.32Å; V63-L67 WeakPolarHBondContact O-CB 3.39Å; V63-L67 PolarHBondContact O-N 3.43Å; D64-L67 PolarHBondContact O-N 3.21Å; I65-L67 VanDerWaalsContact C-N 3.35Å; I65-L67 PolarHBondContact O-N 3.45Å; L67-S69 PolarHBondContact O-N 3.38Å; L67-Y70 WeakPolarHBondContact O-CB 3.11Å; L67-Y70 PolarHBondContact O-N 3.3Å; L67-M71 WeakPolarHBondContact O-CG 3.5Å; L67-M71 PolarHBondContact O-N 2.9Å; L67-I90 HydrophobicContact CD1-CG2 4.24Å; L67-V94 HydrophobicContact CD1-CG2 3.97Å; L67-V94 HydrophobicContact CD2-CB 3.78Å; L67-V94 HydrophobicContact CD2-CG1 3.64Å; L67-V94 HydrophobicContact CD2-CG2 3.25Å; L67-V94 HydrophobicContact CG-CG2 4.23Å
68	V	56.4	Low	56.2	Low	77 Å²	77	88 Å²	88	47%	0.467	47%	0.473	S	S	.	.	H	α-helix	trans	-59.5	-39.8	173.2	171.7	0	0	0	0	110.5	D64 M71	D64-V68 WeakPolarHBondContact O-CG2 3.37Å; D64-V68 PolarHBondContact O-N 2.95Å; V68-M71 HydrophobicContact CG2-CE 4.37Å; V68-M71 PolarHBondContact O-N 2.89Å
69	S	56.3	Low	55.4	Low	77 Å²	77	88.4 Å²	88.4	54%	0.538	47%	0.466	S	S	.	.	H	α-helix	trans	-66.9	-35.2	172.9	-97	0	0	0	0	113.2	I65 F66 L67 M71 K72	I65-S69 VanDerWaalsContact O-CB 3.3Å; I65-S69 WeakPolarHBondContact O-CB 3.11Å; I65-S69 PolarHBondContact O-N 3.39Å; F66-S69 CarbonylContact O-C 3.59Å; F66-S69 PolarHBondContact O-N 3.34Å; L67-S69 PolarHBondContact O-N 3.38Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.42Å; S69-K72 PolarHBondContact O-N 3Å
70	Y	55	Low	55.1	Low	110 Å²	110	94.2 Å²	94.2	43%	0.431	49%	0.491	S	S	.	.	H	α-helix	trans	-69.2	-28.4	179	-157.8	-95.4	0	0	0	112.3	F66 L67 K72	F66-Y70 WeakPolarHBondContact O-CB 3.13Å; F66-Y70 PolarHBondContact O-N 2.9Å; L67-Y70 WeakPolarHBondContact O-CB 3.11Å; L67-Y70 PolarHBondContact O-N 3.3Å; Y70-K72 VanDerWaalsContact C-N 3.3Å
71	M	53.4	Low	54.7	Low	40 Å²	40	95.3 Å²	95.3	20%	0.197	49%	0.492	C	S	.	.	H	α-helix	trans	-73.5	-19.4	173.7	-67.3	-167.3	-69.4	0	0	113.3	L67 V68 S69 T87	L67-M71 WeakPolarHBondContact O-CG 3.5Å; L67-M71 PolarHBondContact O-N 2.9Å; V68-M71 HydrophobicContact CG2-CE 4.37Å; V68-M71 PolarHBondContact O-N 2.89Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.42Å; M71-T87 HydrophobicContact SD-CG2 4.24Å
72	K	48.5	Very low	54.1	Low	128 Å²	128	91.5 Å²	91.5	56%	0.557	48%	0.476	S	S	*	.	B	Isolated β-bridge	trans	-100.1	128.6	178.1	-108.2	-179.6	177.1	179.3	0	111.4	S69 Y70	S69-K72 PolarHBondContact O-N 3Å; Y70-K72 VanDerWaalsContact C-N 3.3Å
73	N	52	Low	53.9	Low	56 Å²	56	94.7 Å²	94.7	30%	0.299	49%	0.49	S	S	.	.			trans	-73.1	157.5	165.9	-114.3	-11.8	0	0	0	110.2	N75 G76 T77 K79	N73-N75 PolarHBondContact O-N 3.09Å; N73-G76 PolarHBondContact O-N 3.45Å; N73-T77 WeakPolarHBondContact CB-O 3.05Å; N73-T77 PolarHBondContact N-O 2.82Å; N73-K79 WeakPolarHBondContact ND2-CG 2.85Å; N73-K79 VanDerWaalsContact OD1-CD 3.29Å; N73-K79 WeakPolarHBondContact OD1-CD 3.32Å; N73-K79 VanDerWaalsContact OD1-CE 3.3Å; N73-K79 WeakPolarHBondContact OD1-CE 3.25Å; N73-K79 PolarHBondContact OD1-NZ 2.71Å
74	Q	49	Very low	53.7	Low	209 Å²	209	95.9 Å²	95.9	98%	0.977	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-16.5	176.2	-77.4	-178.2	-8.6	0	0	114.3
75	N	47.8	Very low	53.4	Low	146 Å²	146	98.7 Å²	98.7	78%	0.781	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	0.6	176.5	-108	34.2	0	0	0	114.7	N73 T77	N73-N75 PolarHBondContact O-N 3.09Å; N75-T77 PolarHBondContact O-N 2.88Å
76	G	50.2	Low	52.9	Low	47 Å²	47	95.9 Å²	95.9	49%	0.485	51%	0.507	S	S	.	.	S	Bend	trans	76.8	-2.2	-178.1	0	0	0	0	0	115.3	N73	N73-G76 PolarHBondContact O-N 3.45Å
77	T	49.6	Very low	52.8	Low	84 Å²	84	89.6 Å²	89.6	52%	0.515	48%	0.482	S	S	.	.	S	Bend	trans	-90.5	144.8	174	54.7	0	0	0	0	111.4	N73 N75	N73-T77 WeakPolarHBondContact CB-O 3.05Å; N73-T77 PolarHBondContact N-O 2.82Å; N75-T77 PolarHBondContact O-N 2.88Å
78	F	54.9	Low	52.9	Low	144 Å²	144	91.4 Å²	91.4	63%	0.632	49%	0.494	S	S	*	.	B	Isolated β-bridge	trans	-66.4	143.5	170.1	-72.8	-86.2	0	0	0	109.7
79	K	53.1	Low	52.9	Low	81 Å²	81	93.4 Å²	93.4	35%	0.352	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-78	141	-173.1	-142.5	149.7	172.4	162.2	0	110.4	N73 W81 A82	N73-K79 WeakPolarHBondContact ND2-CG 2.85Å; N73-K79 VanDerWaalsContact OD1-CD 3.29Å; N73-K79 WeakPolarHBondContact OD1-CD 3.32Å; N73-K79 VanDerWaalsContact OD1-CE 3.3Å; N73-K79 WeakPolarHBondContact OD1-CE 3.25Å; N73-K79 PolarHBondContact OD1-NZ 2.71Å; K79-W81 HydrophobicContact CB-CD2 4.36Å; K79-W81 HydrophobicContact CB-CG 4.42Å; K79-W81 HydrophobicContact CB-CZ2 4.22Å; K79-W81 HydrophobicContact CD-CZ2 3.91Å; K79-W81 HydrophobicContact CG-CG 4.45Å; K79-W81 HydrophobicContact CG-CZ2 4.45Å; K79-W81 PolarHBondContact O-N 3.34Å; K79-A82 WeakPolarHBondContact O-CA 3.41Å; K79-A82 WeakPolarHBondContact O-CB 3.15Å; K79-A82 PolarHBondContact O-N 2.88Å
80	D	52.4	Low	53.1	Low	166 Å²	166	91.3 Å²	91.3	89%	0.888	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.1	-176	-72.1	-78.9	0	0	0	115.7
81	W	52.1	Low	53.3	Low	61 Å²	61	91.2 Å²	91.2	23%	0.231	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.8	171.4	57.7	-101.8	0	0	0	113.7	A4 L8 K79 D83	A4-W81 HydrophobicContact CB-CB 4.15Å; L8-W81 HydrophobicContact CD2-CE3 3.69Å; L8-W81 HydrophobicContact CD2-CZ3 3.69Å; L8-W81 HydrophobicContact CG-CE3 4.26Å; K79-W81 HydrophobicContact CB-CD2 4.36Å; K79-W81 HydrophobicContact CB-CG 4.42Å; K79-W81 HydrophobicContact CB-CZ2 4.22Å; K79-W81 HydrophobicContact CD-CZ2 3.91Å; K79-W81 HydrophobicContact CG-CG 4.45Å; K79-W81 HydrophobicContact CG-CZ2 4.45Å; K79-W81 PolarHBondContact O-N 3.34Å; W81-D83 PolarHBondContact O-N 3.27Å
82	A	49.7	Very low	53.5	Low	25 Å²	25	92.7 Å²	92.7	21%	0.207	49%	0.493	C	S	.	.			trans	-79.1	46.1	169.6	0	0	0	0	0	110.3	K79 A84 T87	K79-A82 WeakPolarHBondContact O-CA 3.41Å; K79-A82 WeakPolarHBondContact O-CB 3.15Å; K79-A82 PolarHBondContact O-N 2.88Å; A82-A84 PolarHBondContact O-N 3.43Å; A82-T87 HydrophobicContact CB-CG2 4.46Å; A82-T87 WeakPolarHBondContact CB-OG1 3.29Å; A82-T87 PolarHBondContact O-OG1 3.25Å
83	D	53.3	Low	54.1	Low	126 Å²	126	89.5 Å²	89.5	67%	0.674	48%	0.484	S	S	*	.			trans	-53.4	129.9	166.4	-143.1	-32.6	0	0	0	107	W81 N85 V86	W81-D83 PolarHBondContact O-N 3.27Å; D83-N85 PolarHBondContact O-N 2.95Å; D83-V86 PolarHBondContact O-N 3.3Å
84	A	54.2	Low	54.4	Low	72 Å²	72	88.3 Å²	88.3	60%	0.595	48%	0.479	S	S	*	.	H	α-helix	trans	-51.5	-24.5	-155.7	0	0	0	0	0	114.9	A82 V88	A82-A84 PolarHBondContact O-N 3.43Å; A84-V88 WeakPolarHBondContact O-CG2 3.13Å
85	N	52.7	Low	55.1	Low	125 Å²	125	82 Å²	82	67%	0.668	45%	0.452	S	S	*	.	H	α-helix	trans	-71.7	-33.3	-179.8	-163.6	66.1	0	0	0	114.6	D83 Q89	D83-N85 PolarHBondContact O-N 2.95Å; N85-Q89 WeakPolarHBondContact O-CG 3.26Å; N85-Q89 PolarHBondContact O-N 2.97Å
86	V	54.2	Low	55.7	Low	48 Å²	48	82.8 Å²	82.8	29%	0.291	45%	0.445	S	S	.	.	H	α-helix	trans	-84.7	-36.4	-175.3	-176.7	0	0	0	0	111.4	L8 D83 V88 Q89 I90	L8-V86 HydrophobicContact CD2-CG1 3.92Å; D83-V86 PolarHBondContact O-N 3.3Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 2.82Å; V86-Q89 WeakPolarHBondContact O-CB 3.43Å; V86-Q89 PolarHBondContact O-N 3.28Å; V86-I90 HydrophobicContact CG1-CD1 4.12Å; V86-I90 WeakPolarHBondContact O-CG1 3.32Å; V86-I90 PolarHBondContact O-N 2.72Å; V86-I90 VanDerWaalsContact O-N 3.11Å
87	T	57.9	Low	56.3	Low	26 Å²	26	81.8 Å²	81.8	16%	0.16	44%	0.435	C	S	.	.	H	α-helix	trans	-61.5	-44	175.8	-27.6	0	0	0	0	110.6	M71 A82 Q89 I90 E91	M71-T87 HydrophobicContact SD-CG2 4.24Å; A82-T87 HydrophobicContact CB-CG2 4.46Å; A82-T87 WeakPolarHBondContact CB-OG1 3.29Å; A82-T87 PolarHBondContact O-OG1 3.25Å; T87-Q89 VanDerWaalsContact C-N 3.31Å; T87-Q89 PolarHBondContact O-N 3.46Å; T87-I90 PolarHBondContact O-N 2.94Å; T87-E91 WeakPolarHBondContact O-CB 3.38Å; T87-E91 PolarHBondContact O-N 3.47Å
88	V	58.9	Low	56.8	Low	72 Å²	72	82.5 Å²	82.5	44%	0.436	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-36.4	175.8	171.2	0	0	0	0	111.8	A84 V86 N92	A84-V88 WeakPolarHBondContact O-CG2 3.13Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 2.82Å; V88-N92 WeakPolarHBondContact CG1-ND2 3.33Å; V88-N92 WeakPolarHBondContact O-CB 3.25Å; V88-N92 PolarHBondContact O-N 2.87Å; V88-N92 PolarHBondContact O-ND2 3.44Å
89	Q	56.3	Low	57.1	Low	118 Å²	118	82.5 Å²	82.5	55%	0.551	43%	0.426	S	S	*	.	H	α-helix	trans	-67.9	-39.4	177.1	-66.1	-112	-72.4	0	0	112.3	N85 V86 T87 T93	N85-Q89 WeakPolarHBondContact O-CG 3.26Å; N85-Q89 PolarHBondContact O-N 2.97Å; V86-Q89 WeakPolarHBondContact O-CB 3.43Å; V86-Q89 PolarHBondContact O-N 3.28Å; T87-Q89 VanDerWaalsContact C-N 3.31Å; T87-Q89 PolarHBondContact O-N 3.46Å; Q89-T93 WeakPolarHBondContact O-CB 3.48Å; Q89-T93 PolarHBondContact O-N 2.88Å; Q89-T93 PolarHBondContact O-OG1 3.23Å
90	I	58.9	Low	57.4	Low	33 Å²	33	82.7 Å²	82.7	17%	0.169	43%	0.433	C	S	.	.	H	α-helix	trans	-71.1	-45.9	179.4	-67	167.1	0	0	0	110.2	L67 V86 T87 T93 V94	L67-I90 HydrophobicContact CD1-CG2 4.24Å; V86-I90 HydrophobicContact CG1-CD1 4.12Å; V86-I90 WeakPolarHBondContact O-CG1 3.32Å; V86-I90 PolarHBondContact O-N 2.72Å; V86-I90 VanDerWaalsContact O-N 3.11Å; T87-I90 PolarHBondContact O-N 2.94Å; I90-T93 PolarHBondContact O-N 3.27Å; I90-V94 WeakPolarHBondContact O-CG2 3.3Å; I90-V94 PolarHBondContact O-N 3.41Å
91	E	60.2	Low	57.7	Low	108 Å²	108	77 Å²	77	51%	0.505	40%	0.403	S	S	.	.	H	α-helix	trans	-61.8	-45.6	177.7	-162.5	171	-160.4	0	0	110.7	T87 T93 V94 L95	T87-E91 WeakPolarHBondContact O-CB 3.38Å; T87-E91 PolarHBondContact O-N 3.47Å; E91-T93 PolarHBondContact O-N 3.5Å; E91-V94 PolarHBondContact O-N 3.48Å; E91-L95 WeakPolarHBondContact O-CB 3.45Å; E91-L95 PolarHBondContact O-N 2.78Å
92	N	58.1	Low	58.3	Low	72 Å²	72	79.2 Å²	79.2	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-42.2	174.6	-75.5	-19	0	0	0	112.5	V88 V94 L95 Y96	V88-N92 WeakPolarHBondContact CG1-ND2 3.33Å; V88-N92 WeakPolarHBondContact O-CB 3.25Å; V88-N92 PolarHBondContact O-N 2.87Å; V88-N92 PolarHBondContact O-ND2 3.44Å; N92-V94 VanDerWaalsContact C-N 3.3Å; N92-V94 PolarHBondContact O-N 3.34Å; N92-L95 PolarHBondContact O-N 2.88Å; N92-Y96 WeakPolarHBondContact O-CB 3.44Å; N92-Y96 WeakPolarHBondContact O-CD2 3.3Å; N92-Y96 PolarHBondContact O-N 3.36Å
93	T	60.9	Low	58.9	Low	60 Å²	60	81.5 Å²	81.5	37%	0.368	43%	0.427	S	S	.	.	H	α-helix	trans	-63.1	-39.6	179.9	-61.1	0	0	0	0	111.5	F15 Q89 I90 E91 G97	F15-T93 HydrophobicContact CE1-CG2 4.4Å; Q89-T93 WeakPolarHBondContact O-CB 3.48Å; Q89-T93 PolarHBondContact O-N 2.88Å; Q89-T93 PolarHBondContact O-OG1 3.23Å; I90-T93 PolarHBondContact O-N 3.27Å; E91-T93 PolarHBondContact O-N 3.5Å; T93-G97 PolarHBondContact O-N 2.87Å
94	V	59	Low	59.4	Low	32 Å²	32	79 Å²	79	19%	0.194	42%	0.416	C	S	.	.	H	α-helix	trans	-73.6	-41.7	179.7	169.1	0	0	0	0	111.1	L67 I90 E91 N92 G97 Y98	L67-V94 HydrophobicContact CD1-CG2 3.97Å; L67-V94 HydrophobicContact CD2-CB 3.78Å; L67-V94 HydrophobicContact CD2-CG1 3.64Å; L67-V94 HydrophobicContact CD2-CG2 3.25Å; L67-V94 HydrophobicContact CG-CG2 4.23Å; I90-V94 WeakPolarHBondContact O-CG2 3.3Å; I90-V94 PolarHBondContact O-N 3.41Å; E91-V94 PolarHBondContact O-N 3.48Å; N92-V94 VanDerWaalsContact C-N 3.3Å; N92-V94 PolarHBondContact O-N 3.34Å; V94-G97 CarbonylContact O-C 3.54Å; V94-G97 WeakPolarHBondContact O-CA 3.32Å; V94-G97 PolarHBondContact O-N 3.44Å; V94-G97 VanDerWaalsContact O-N 3.07Å; V94-Y98 PolarHBondContact O-N 3.22Å
95	L	62.8	Low	59.9	Low	77 Å²	77	77.2 Å²	77.2	40%	0.403	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-42.5	174.4	-179	140.5	0	0	0	111.3	E91 N92 G97 Y98 Y99	E91-L95 WeakPolarHBondContact O-CB 3.45Å; E91-L95 PolarHBondContact O-N 2.78Å; N92-L95 PolarHBondContact O-N 2.88Å; L95-G97 VanDerWaalsContact C-N 3.34Å; L95-G97 PolarHBondContact O-N 2.78Å; L95-Y98 WeakPolarHBondContact O-CB 3.04Å; L95-Y98 PolarHBondContact O-N 2.93Å; L95-Y99 HydrophobicContact CD2-CD2 3.77Å; L95-Y99 HydrophobicContact CD2-CE2 3.38Å; L95-Y99 HydrophobicContact CG-CD2 4.13Å; L95-Y99 HydrophobicContact CG-CE2 3.71Å; L95-Y99 WeakPolarHBondContact O-CD2 3.35Å; L95-Y99 PolarHBondContact O-N 3.45Å
96	Y	59.2	Low	60.5	Low	161 Å²	161	74.7 Å²	74.7	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-63.3	-38	169.9	-91.1	-69.6	0	0	0	112.6	N92 Y98 Y99 T100	N92-Y96 WeakPolarHBondContact O-CB 3.44Å; N92-Y96 WeakPolarHBondContact O-CD2 3.3Å; N92-Y96 PolarHBondContact O-N 3.36Å; Y96-Y98 VanDerWaalsContact C-N 3.35Å; Y96-Y99 PolarHBondContact O-N 2.91Å; Y96-T100 VanDerWaalsContact O-CB 3.29Å; Y96-T100 WeakPolarHBondContact O-CB 3.2Å; Y96-T100 PolarHBondContact O-N 3.25Å; Y96-T100 PolarHBondContact O-OG1 2.83Å
97	G	62.9	Low	61	Low	27 Å²	27	78.1 Å²	78.1	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-58	-48.6	172.1	0	0	0	0	0	111.4	T93 V94 L95 T100 L101	T93-G97 PolarHBondContact O-N 2.87Å; V94-G97 CarbonylContact O-C 3.54Å; V94-G97 WeakPolarHBondContact O-CA 3.32Å; V94-G97 PolarHBondContact O-N 3.44Å; V94-G97 VanDerWaalsContact O-N 3.07Å; L95-G97 VanDerWaalsContact C-N 3.34Å; L95-G97 PolarHBondContact O-N 2.78Å; G97-T100 PolarHBondContact O-N 3.42Å; G97-L101 WeakPolarHBondContact O-CB 3.37Å; G97-L101 VanDerWaalsContact O-CD1 3.26Å; G97-L101 WeakPolarHBondContact O-CD1 3.5Å; G97-L101 PolarHBondContact O-N 3.48Å
98	Y	61.9	Low	61.2	Low	98 Å²	98	77.5 Å²	77.5	38%	0.384	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-48.7	177.7	-154.4	-95.3	0	0	0	111.5	V94 L95 Y96 T100 L101 Y102	V94-Y98 PolarHBondContact O-N 3.22Å; L95-Y98 WeakPolarHBondContact O-CB 3.04Å; L95-Y98 PolarHBondContact O-N 2.93Å; Y96-Y98 VanDerWaalsContact C-N 3.35Å; Y98-T100 VanDerWaalsContact C-N 3.34Å; Y98-T100 PolarHBondContact O-N 3.41Å; Y98-L101 PolarHBondContact O-N 2.98Å; Y98-Y102 AromaticContact CD1-CD2 3.55Å; Y98-Y102 HydrophobicContact CD1-CD2 3.55Å; Y98-Y102 AromaticContact CD1-CE2 3.7Å; Y98-Y102 HydrophobicContact CD1-CE2 3.7Å; Y98-Y102 AromaticContact CE1-CD2 3.41Å; Y98-Y102 HydrophobicContact CE1-CD2 3.41Å; Y98-Y102 VanDerWaalsContact CE1-CD2 3.41Å; Y98-Y102 AromaticContact CE1-CE2 3.04Å; Y98-Y102 HydrophobicContact CE1-CE2 3.04Å; Y98-Y102 HydrophobicContact CE1-CG 4.48Å; Y98-Y102 AromaticContact CE1-CZ 3.86Å; Y98-Y102 AromaticContact CE2-CE2 4Å; Y98-Y102 HydrophobicContact CE2-CE2 4Å; Y98-Y102 HydrophobicContact CG-CD2 4.23Å; Y98-Y102 HydrophobicContact CG-CE2 4.4Å; Y98-Y102 AromaticContact CZ-CD2 3.98Å; Y98-Y102 AromaticContact CZ-CE2 3.23Å; Y98-Y102 WeakPolarHBondContact O-CB 3.16Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.21Å; Y98-Y102 PolarHBondContact O-N 3.33Å; Y98-Y102 WeakPolarHBondContact OH-CE2 3.35Å; Y98-Y102 PolarHBondContact OH-OH 2.96Å
99	Y	60.9	Low	61.5	Low	145 Å²	145	77.4 Å²	77.4	57%	0.569	39%	0.389	S	S	*	.	H	α-helix	trans	-63	-38.9	176.8	-75.6	-54.9	0	0	0	113.3	L95 Y96 S103	L95-Y99 HydrophobicContact CD2-CD2 3.77Å; L95-Y99 HydrophobicContact CD2-CE2 3.38Å; L95-Y99 HydrophobicContact CG-CD2 4.13Å; L95-Y99 HydrophobicContact CG-CE2 3.71Å; L95-Y99 WeakPolarHBondContact O-CD2 3.35Å; L95-Y99 PolarHBondContact O-N 3.45Å; Y96-Y99 PolarHBondContact O-N 2.91Å; Y99-S103 VanDerWaalsContact O-CB 3.28Å; Y99-S103 WeakPolarHBondContact O-CB 3.35Å; Y99-S103 PolarHBondContact O-N 3.26Å; Y99-S103 PolarHBondContact O-OG 2.94Å
100	T	59	Low	61.7	Low	84 Å²	84	75.4 Å²	75.4	52%	0.515	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-44.7	177.2	-56.8	0	0	0	0	110.4	Y96 G97 Y98 S103 V104	Y96-T100 VanDerWaalsContact O-CB 3.29Å; Y96-T100 WeakPolarHBondContact O-CB 3.2Å; Y96-T100 PolarHBondContact O-N 3.25Å; Y96-T100 PolarHBondContact O-OG1 2.83Å; G97-T100 PolarHBondContact O-N 3.42Å; Y98-T100 VanDerWaalsContact C-N 3.34Å; Y98-T100 PolarHBondContact O-N 3.41Å; T100-S103 PolarHBondContact O-N 2.92Å; T100-V104 VanDerWaalsContact O-CG2 3.25Å; T100-V104 WeakPolarHBondContact O-CG2 3.24Å; T100-V104 PolarHBondContact O-N 3.07Å
101	L	59	Low	61.8	Low	47 Å²	47	76.3 Å²	76.3	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-66.8	-44.2	178.9	-81.8	142.6	0	0	0	112.3	I56 L60 G97 Y98 S103 V104 I105	I56-L101 HydrophobicContact CG2-CD2 3.73Å; L60-L101 HydrophobicContact CD1-CD1 3.68Å; L60-L101 HydrophobicContact CD1-CD2 4.3Å; L60-L101 HydrophobicContact CD2-CB 4.17Å; L60-L101 HydrophobicContact CD2-CD1 3.3Å; L60-L101 HydrophobicContact CD2-CD2 4.49Å; L60-L101 HydrophobicContact CD2-CG 4.15Å; L60-L101 HydrophobicContact CG-CD1 4.07Å; G97-L101 WeakPolarHBondContact O-CB 3.37Å; G97-L101 VanDerWaalsContact O-CD1 3.26Å; G97-L101 WeakPolarHBondContact O-CD1 3.5Å; G97-L101 PolarHBondContact O-N 3.48Å; Y98-L101 PolarHBondContact O-N 2.98Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 2.9Å; L101-V104 PolarHBondContact O-N 2.9Å; L101-I105 WeakPolarHBondContact O-CD1 3.15Å; L101-I105 WeakPolarHBondContact O-CG1 3.38Å; L101-I105 PolarHBondContact O-N 2.88Å
102	Y	63.3	Low	62	Low	107 Å²	107	74.6 Å²	74.6	42%	0.42	37%	0.371	S	S	.	.	H	α-helix	trans	-60.9	-40.9	173.2	-96.1	-92.2	0	0	0	112.1	Y98 V104 I105 L106	Y98-Y102 AromaticContact CD1-CD2 3.55Å; Y98-Y102 HydrophobicContact CD1-CD2 3.55Å; Y98-Y102 AromaticContact CD1-CE2 3.7Å; Y98-Y102 HydrophobicContact CD1-CE2 3.7Å; Y98-Y102 AromaticContact CE1-CD2 3.41Å; Y98-Y102 HydrophobicContact CE1-CD2 3.41Å; Y98-Y102 VanDerWaalsContact CE1-CD2 3.41Å; Y98-Y102 AromaticContact CE1-CE2 3.04Å; Y98-Y102 HydrophobicContact CE1-CE2 3.04Å; Y98-Y102 HydrophobicContact CE1-CG 4.48Å; Y98-Y102 AromaticContact CE1-CZ 3.86Å; Y98-Y102 AromaticContact CE2-CE2 4Å; Y98-Y102 HydrophobicContact CE2-CE2 4Å; Y98-Y102 HydrophobicContact CG-CD2 4.23Å; Y98-Y102 HydrophobicContact CG-CE2 4.4Å; Y98-Y102 AromaticContact CZ-CD2 3.98Å; Y98-Y102 AromaticContact CZ-CE2 3.23Å; Y98-Y102 WeakPolarHBondContact O-CB 3.16Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.21Å; Y98-Y102 PolarHBondContact O-N 3.33Å; Y98-Y102 WeakPolarHBondContact OH-CE2 3.35Å; Y98-Y102 PolarHBondContact OH-OH 2.96Å; Y102-V104 VanDerWaalsContact C-N 3.35Å; Y102-V104 PolarHBondContact O-N 3.03Å; Y102-I105 PolarHBondContact O-N 2.85Å; Y102-L106 WeakPolarHBondContact O-CB 3.4Å; Y102-L106 WeakPolarHBondContact O-CG 3.47Å; Y102-L106 PolarHBondContact O-N 3.36Å
103	S	63.3	Low	62.3	Low	74 Å²	74	75 Å²	75	52%	0.517	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-40.5	174.7	-66.3	0	0	0	0	111.9	Y99 T100 L101 F107	Y99-S103 VanDerWaalsContact O-CB 3.28Å; Y99-S103 WeakPolarHBondContact O-CB 3.35Å; Y99-S103 PolarHBondContact O-N 3.26Å; Y99-S103 PolarHBondContact O-OG 2.94Å; T100-S103 PolarHBondContact O-N 2.92Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 2.9Å; S103-F107 VanDerWaalsContact O-CB 3.22Å; S103-F107 WeakPolarHBondContact O-CB 3.32Å; S103-F107 PolarHBondContact O-N 3.34Å
104	V	63.2	Low	62.4	Low	74 Å²	74	73.5 Å²	73.5	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-41.8	175.9	170.7	0	0	0	0	111.1	T100 L101 Y102 F107 C108	T100-V104 VanDerWaalsContact O-CG2 3.25Å; T100-V104 WeakPolarHBondContact O-CG2 3.24Å; T100-V104 PolarHBondContact O-N 3.07Å; L101-V104 PolarHBondContact O-N 2.9Å; Y102-V104 VanDerWaalsContact C-N 3.35Å; Y102-V104 PolarHBondContact O-N 3.03Å; V104-F107 PolarHBondContact O-N 3.34Å; V104-C108 WeakPolarHBondContact O-CB 3.32Å; V104-C108 PolarHBondContact O-N 3.46Å; V104-C108 PolarHBondContact O-SG 3.11Å
105	I	65.8	Low	62.6	Low	34 Å²	34	74.5 Å²	74.5	17%	0.174	37%	0.365	C	S	.	.	H	α-helix	trans	-62.5	-48.6	176.3	-66.3	158	0	0	0	110.5	V53 T57 L101 Y102 F107 C108 V109	V53-I105 HydrophobicContact CG1-CB 4.23Å; V53-I105 HydrophobicContact CG1-CG1 3.6Å; V53-I105 HydrophobicContact CG1-CG2 4.28Å; T57-I105 HydrophobicContact CG2-CD1 3.85Å; T57-I105 WeakPolarHBondContact OG1-CD1 3.37Å; L101-I105 WeakPolarHBondContact O-CD1 3.15Å; L101-I105 WeakPolarHBondContact O-CG1 3.38Å; L101-I105 PolarHBondContact O-N 2.88Å; Y102-I105 PolarHBondContact O-N 2.85Å; I105-F107 VanDerWaalsContact C-N 3.33Å; I105-F107 PolarHBondContact O-N 3.48Å; I105-C108 WeakPolarHBondContact O-CB 3.37Å; I105-C108 PolarHBondContact O-N 3.32Å; I105-V109 WeakPolarHBondContact O-CG2 3.3Å; I105-V109 PolarHBondContact O-N 2.93Å
106	L	65.3	Low	62.7	Low	71 Å²	71	71.5 Å²	71.5	37%	0.372	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-46	176.4	-76.4	173.4	0	0	0	110.8	Y102 C108 V109 F110 L152	Y102-L106 WeakPolarHBondContact O-CB 3.4Å; Y102-L106 WeakPolarHBondContact O-CG 3.47Å; Y102-L106 PolarHBondContact O-N 3.36Å; L106-C108 VanDerWaalsContact C-N 3.3Å; L106-C108 PolarHBondContact O-N 2.87Å; L106-V109 PolarHBondContact O-N 3.39Å; L106-F110 HydrophobicContact CD2-CD2 4.01Å; L106-F110 HydrophobicContact CD2-CE2 3.62Å; L106-F110 VanDerWaalsContact O-CB 3.32Å; L106-F110 WeakPolarHBondContact O-CB 3.32Å; L106-F110 VanDerWaalsContact O-CD2 3.29Å; L106-F110 WeakPolarHBondContact O-CD2 3.5Å; L106-F110 PolarHBondContact O-N 3.48Å; L106-L152 HydrophobicContact CD1-CD2 4.45Å
107	F	64.5	Low	63	Low	120 Å²	120	70.4 Å²	70.4	53%	0.526	35%	0.346	S	S	.	.	H	α-helix	trans	-59.3	-42.5	175.6	-175.1	-95.9	0	0	0	111.6	S103 V104 I105 F111	S103-F107 VanDerWaalsContact O-CB 3.22Å; S103-F107 WeakPolarHBondContact O-CB 3.32Å; S103-F107 PolarHBondContact O-N 3.34Å; V104-F107 PolarHBondContact O-N 3.34Å; I105-F107 VanDerWaalsContact C-N 3.33Å; I105-F107 PolarHBondContact O-N 3.48Å; F107-F111 HydrophobicContact CD1-CB 4.41Å; F107-F111 HydrophobicContact CD2-CB 4.25Å; F107-F111 HydrophobicContact CE1-CB 4.2Å; F107-F111 HydrophobicContact CE1-CD1 4.21Å; F107-F111 HydrophobicContact CE1-CG 4.26Å; F107-F111 HydrophobicContact CE2-CB 4.03Å; F107-F111 HydrophobicContact CE2-CD2 4.1Å; F107-F111 AromaticContact CE2-CG 4Å; F107-F111 HydrophobicContact CE2-CG 4Å; F107-F111 HydrophobicContact CG-CB 4.43Å; F107-F111 HydrophobicContact CZ-CB 4Å; F107-F111 AromaticContact CZ-CD1 3.9Å; F107-F111 HydrophobicContact CZ-CD1 3.9Å; F107-F111 HydrophobicContact CZ-CD2 4.15Å; F107-F111 HydrophobicContact CZ-CE1 4.43Å; F107-F111 AromaticContact CZ-CG 3.75Å; F107-F111 HydrophobicContact CZ-CG 3.75Å; F107-F111 WeakPolarHBondContact O-CA 3.17Å; F107-F111 WeakPolarHBondContact O-CB 3.49Å; F107-F111 PolarHBondContact O-N 3.08Å
108	C	61.6	Low	63	Low	13 Å²	13	72 Å²	72	9%	0.088	35%	0.345	C	S	.	.	I	π-helix	trans	-63.1	-51.2	176.5	-67.6	0	0	0	0	111.5	F49 V53 V104 I105 L106 F110 W112	F49-C108 HydrophobicContact CE1-CB 3.76Å; F49-C108 WeakPolarHBondContact CE1-SG 3.29Å; F49-C108 HydrophobicContact CZ-CB 4.48Å; F49-C108 WeakPolarHBondContact CZ-SG 3.28Å; V53-C108 HydrophobicContact CG2-CB 4.43Å; V104-C108 WeakPolarHBondContact O-CB 3.32Å; V104-C108 PolarHBondContact O-N 3.46Å; V104-C108 PolarHBondContact O-SG 3.11Å; I105-C108 WeakPolarHBondContact O-CB 3.37Å; I105-C108 PolarHBondContact O-N 3.32Å; L106-C108 VanDerWaalsContact C-N 3.3Å; L106-C108 PolarHBondContact O-N 2.87Å; C108-F110 PolarHBondContact O-N 3.4Å; C108-W112 WeakPolarHBondContact O-CA 3.43Å; C108-W112 WeakPolarHBondContact O-CB 3.41Å; C108-W112 PolarHBondContact O-N 3.41Å
109	V	65	Low	63	Low	71 Å²	71	70.6 Å²	70.6	43%	0.43	34%	0.339	S	S	.	.	I	π-helix	trans	-64.7	-44.4	-177.8	174	0	0	0	0	111.4	I105 L106 I113	I105-V109 WeakPolarHBondContact O-CG2 3.3Å; I105-V109 PolarHBondContact O-N 2.93Å; L106-V109 PolarHBondContact O-N 3.39Å; V109-I113 HydrophobicContact CG1-CD1 4.2Å; V109-I113 WeakPolarHBondContact O-CB 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.3Å
110	F	61	Low	63	Low	76 Å²	76	69 Å²	69	33%	0.333	33%	0.333	S	S	.	.	I	π-helix	trans	-85	-28.8	-173.6	-76	-95.1	0	0	0	113.7	L106 C108 P114 F144 C148	L106-F110 HydrophobicContact CD2-CD2 4.01Å; L106-F110 HydrophobicContact CD2-CE2 3.62Å; L106-F110 VanDerWaalsContact O-CB 3.32Å; L106-F110 WeakPolarHBondContact O-CB 3.32Å; L106-F110 VanDerWaalsContact O-CD2 3.29Å; L106-F110 WeakPolarHBondContact O-CD2 3.5Å; L106-F110 PolarHBondContact O-N 3.48Å; C108-F110 PolarHBondContact O-N 3.4Å; F110-P114 VanDerWaalsContact O-CD 3.31Å; F110-P114 WeakPolarHBondContact O-CD 3.35Å; F110-P114 WeakPolarHBondContact O-CG 3.22Å; F110-F144 HydrophobicContact CB-CD1 4.2Å; F110-F144 HydrophobicContact CB-CE1 3.97Å; F110-F144 HydrophobicContact CD1-CD1 4.12Å; F110-F144 AromaticContact CD1-CE1 3.36Å; F110-F144 HydrophobicContact CD1-CE1 3.36Å; F110-F144 HydrophobicContact CD1-CZ 4.05Å; F110-F144 HydrophobicContact CE1-CE1 4.25Å; F110-F144 HydrophobicContact CG-CE1 4.09Å; F110-F144 WeakPolarHBondContact O-CD1 3.46Å; F110-F144 WeakPolarHBondContact O-CE1 3.29Å; F110-C148 WeakPolarHBondContact CD1-SG 3.25Å
111	F	61.6	Low	63.1	Low	51 Å²	51	69.8 Å²	69.8	22%	0.224	33%	0.331	C	S	.	.	I	π-helix	trans	-96.5	-47.7	178.4	-166	-92.3	0	0	0	111.6	F107 F115 T141 V145	F107-F111 HydrophobicContact CD1-CB 4.41Å; F107-F111 HydrophobicContact CD2-CB 4.25Å; F107-F111 HydrophobicContact CE1-CB 4.2Å; F107-F111 HydrophobicContact CE1-CD1 4.21Å; F107-F111 HydrophobicContact CE1-CG 4.26Å; F107-F111 HydrophobicContact CE2-CB 4.03Å; F107-F111 HydrophobicContact CE2-CD2 4.1Å; F107-F111 AromaticContact CE2-CG 4Å; F107-F111 HydrophobicContact CE2-CG 4Å; F107-F111 HydrophobicContact CG-CB 4.43Å; F107-F111 HydrophobicContact CZ-CB 4Å; F107-F111 AromaticContact CZ-CD1 3.9Å; F107-F111 HydrophobicContact CZ-CD1 3.9Å; F107-F111 HydrophobicContact CZ-CD2 4.15Å; F107-F111 HydrophobicContact CZ-CE1 4.43Å; F107-F111 AromaticContact CZ-CG 3.75Å; F107-F111 HydrophobicContact CZ-CG 3.75Å; F107-F111 WeakPolarHBondContact O-CA 3.17Å; F107-F111 WeakPolarHBondContact O-CB 3.49Å; F107-F111 PolarHBondContact O-N 3.08Å; F111-F115 WeakPolarHBondContact O-CB 3.38Å; F111-F115 PolarHBondContact O-N 3.25Å; F111-F115 VanDerWaalsContact O-N 3.12Å; F111-T141 HydrophobicContact CB-CG2 4.47Å; F111-T141 HydrophobicContact CD1-CG2 4.03Å; F111-T141 HydrophobicContact CD2-CG2 3.26Å; F111-T141 HydrophobicContact CE1-CG2 4Å; F111-T141 HydrophobicContact CE2-CG2 3.23Å; F111-T141 HydrophobicContact CG-CG2 3.67Å; F111-T141 HydrophobicContact CZ-CG2 3.62Å; F111-V145 HydrophobicContact CD2-CG2 3.4Å; F111-V145 VanDerWaalsContact CD2-CG2 3.4Å; F111-V145 HydrophobicContact CE2-CG2 3.71Å
112	W	64.2	Low	62.9	Low	73 Å²	73	70 Å²	70	28%	0.277	33%	0.331	S	S	.	.	I	π-helix	trans	-72.8	-42.8	-169.5	-165	-91.5	0	0	0	112.5	V45 T46 F49 C108 F115 V116	V45-W112 HydrophobicContact CG1-CZ2 4.26Å; T46-W112 PolarHBondContact OG1-NE1 2.91Å; F49-W112 AromaticContact CD1-CD1 3.81Å; F49-W112 HydrophobicContact CD1-CD2 4.05Å; F49-W112 AromaticContact CD1-CG 3.93Å; F49-W112 HydrophobicContact CD1-CG 3.93Å; F49-W112 AromaticContact CD1-NE1 3.87Å; F49-W112 HydrophobicContact CE1-CB 4.43Å; F49-W112 HydrophobicContact CE1-CD2 4.01Å; F49-W112 HydrophobicContact CE1-CE3 4.42Å; F49-W112 HydrophobicContact CE1-CG 4.01Å; C108-W112 WeakPolarHBondContact O-CA 3.43Å; C108-W112 WeakPolarHBondContact O-CB 3.41Å; C108-W112 PolarHBondContact O-N 3.41Å; W112-F115 PolarHBondContact O-N 2.95Å; W112-V116 HydrophobicContact CG-CG2 4.41Å; W112-V116 WeakPolarHBondContact O-CB 3.44Å; W112-V116 WeakPolarHBondContact O-CG2 3.35Å; W112-V116 PolarHBondContact O-N 3.35Å
113	I	63.4	Low	62.3	Low	81 Å²	81	68.1 Å²	68.1	42%	0.415	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-53.6	179.3	-62.4	-173.4	0	0	0	112.1	V109 F115 V116 Y117	V109-I113 HydrophobicContact CG1-CD1 4.2Å; V109-I113 WeakPolarHBondContact O-CB 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.3Å; I113-F115 PolarHBondContact O-N 2.76Å; I113-V116 PolarHBondContact O-N 3.44Å; I113-Y117 WeakPolarHBondContact O-CB 3.48Å; I113-Y117 PolarHBondContact O-N 3.17Å
114	P	64.4	Low	61.7	Low	27 Å²	27	70.7 Å²	70.7	18%	0.175	33%	0.333	C	S	.	.	H	α-helix	trans	-68.5	-32.3	179.1	22	-29.5	0	0	0	113	F110 Y117 F118 F144	F110-P114 VanDerWaalsContact O-CD 3.31Å; F110-P114 WeakPolarHBondContact O-CD 3.35Å; F110-P114 WeakPolarHBondContact O-CG 3.22Å; P114-Y117 PolarHBondContact O-N 2.84Å; P114-F118 PolarHBondContact O-N 3.32Å; P114-F144 HydrophobicContact CG-CD1 4.1Å; P114-F144 HydrophobicContact CG-CE1 4.26Å
115	F	62.4	Low	61.1	Low	53 Å²	53	74.5 Å²	74.5	23%	0.232	35%	0.346	C	S	.	.	H	α-helix	trans	-61.8	-45.5	173.6	177.7	-99	0	0	0	111.7	F111 W112 I113 Y119 A137 T141	F111-F115 WeakPolarHBondContact O-CB 3.38Å; F111-F115 PolarHBondContact O-N 3.25Å; F111-F115 VanDerWaalsContact O-N 3.12Å; W112-F115 PolarHBondContact O-N 2.95Å; I113-F115 PolarHBondContact O-N 2.76Å; F115-Y119 WeakPolarHBondContact O-CB 3.47Å; F115-Y119 PolarHBondContact O-N 3.19Å; F115-A137 HydrophobicContact CD2-CB 4.44Å; F115-A137 HydrophobicContact CE2-CB 4.36Å; F115-T141 HydrophobicContact CB-CG2 4.16Å
116	V	64.5	Low	60.5	Low	15 Å²	15	80 Å²	80	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-66.5	-41.9	177.7	163.5	0	0	0	0	111.6	V42 T46 W112 I113 Y119 Y120	V42-V116 HydrophobicContact CG1-CG1 4.07Å; V42-V116 HydrophobicContact CG1-CG2 4.14Å; T46-V116 HydrophobicContact CG2-CB 4.19Å; T46-V116 HydrophobicContact CG2-CG1 3.98Å; T46-V116 HydrophobicContact CG2-CG2 4.05Å; T46-V116 VanDerWaalsContact OG1-CG1 3.29Å; T46-V116 WeakPolarHBondContact OG1-CG1 3.32Å; T46-V116 WeakPolarHBondContact OG1-CG2 3.3Å; W112-V116 HydrophobicContact CG-CG2 4.41Å; W112-V116 WeakPolarHBondContact O-CB 3.44Å; W112-V116 WeakPolarHBondContact O-CG2 3.35Å; W112-V116 PolarHBondContact O-N 3.35Å; I113-V116 PolarHBondContact O-N 3.44Å; V116-Y119 PolarHBondContact O-N 3.48Å; V116-Y120 WeakPolarHBondContact O-CB 3.46Å; V116-Y120 PolarHBondContact O-N 3.49Å
117	Y	65.9	Low	59.9	Low	138 Å²	138	84.5 Å²	84.5	54%	0.541	40%	0.4	S	S	.	.	H	α-helix	trans	-58.2	-54.8	178.1	178.3	-89.2	0	0	0	111.1	I113 P114 Y119 Y120 E121	I113-Y117 WeakPolarHBondContact O-CB 3.48Å; I113-Y117 PolarHBondContact O-N 3.17Å; P114-Y117 PolarHBondContact O-N 2.84Å; Y117-Y119 PolarHBondContact O-N 3.38Å; Y117-Y120 PolarHBondContact O-N 3.11Å; Y117-Y120 VanDerWaalsContact O-N 3.11Å; Y117-E121 WeakPolarHBondContact CE1-OE2 3.33Å; Y117-E121 PolarHBondContact O-N 3.23Å; Y117-E121 PolarHBondContact OH-OE2 3.49Å
118	F	63.1	Low	59.1	Low	61 Å²	61	81.6 Å²	81.6	27%	0.268	40%	0.398	S	S	.	.	H	α-helix	trans	-62.4	-41.5	177.9	-98.3	-81	0	0	0	112.6	P114 Y120 E121 E122 A137 Y140	P114-F118 PolarHBondContact O-N 3.32Å; F118-Y120 PolarHBondContact O-N 2.72Å; F118-E121 PolarHBondContact O-N 2.95Å; F118-E122 PolarHBondContact O-N 3.33Å; F118-E122 VanDerWaalsContact O-N 3.15Å; F118-A137 HydrophobicContact CB-CB 4.39Å; F118-Y140 HydrophobicContact CD1-CD2 4.18Å; F118-Y140 AromaticContact CE1-CD2 3.7Å; F118-Y140 HydrophobicContact CE1-CD2 3.7Å; F118-Y140 HydrophobicContact CE1-CE2 4.03Å; F118-Y140 HydrophobicContact CE1-CG 4.17Å; F118-Y140 HydrophobicContact CE2-CG 4.26Å; F118-Y140 HydrophobicContact CZ-CD1 4.34Å; F118-Y140 AromaticContact CZ-CD2 3.92Å; F118-Y140 HydrophobicContact CZ-CD2 3.92Å; F118-Y140 HydrophobicContact CZ-CE2 4.38Å; F118-Y140 AromaticContact CZ-CG 3.89Å; F118-Y140 HydrophobicContact CZ-CG 3.89Å
119	Y	62.5	Low	58.6	Low	68 Å²	68	84.7 Å²	84.7	27%	0.267	42%	0.42	S	S	.	.	H	α-helix	trans	-59.7	-30.4	176.3	-178.5	-89.8	0	0	0	112.7	V42 F115 V116 Y117 K123	V42-Y119 HydrophobicContact CB-CD1 4.26Å; V42-Y119 HydrophobicContact CB-CE1 4.26Å; V42-Y119 HydrophobicContact CG1-CD1 3.9Å; V42-Y119 HydrophobicContact CG1-CE1 4.3Å; V42-Y119 HydrophobicContact CG2-CD1 4.06Å; V42-Y119 HydrophobicContact CG2-CE1 3.6Å; F115-Y119 WeakPolarHBondContact O-CB 3.47Å; F115-Y119 PolarHBondContact O-N 3.19Å; V116-Y119 PolarHBondContact O-N 3.48Å; Y117-Y119 PolarHBondContact O-N 3.38Å; Y119-K123 HydrophobicContact CE1-CD 4.26Å
120	Y	59.7	Low	58.1	Low	110 Å²	110	89.8 Å²	89.8	43%	0.431	44%	0.436	S	S	.	.	H	α-helix	trans	-81.1	-44.3	178	-154.1	-88.6	0	0	0	111.8	V116 Y117 F118 E122 K123	V116-Y120 WeakPolarHBondContact O-CB 3.46Å; V116-Y120 PolarHBondContact O-N 3.49Å; Y117-Y120 PolarHBondContact O-N 3.11Å; Y117-Y120 VanDerWaalsContact O-N 3.11Å; F118-Y120 PolarHBondContact O-N 2.72Å; Y120-E122 VanDerWaalsContact C-N 3.31Å; Y120-E122 PolarHBondContact O-N 2.83Å; Y120-K123 WeakPolarHBondContact O-CB 3.48Å; Y120-K123 PolarHBondContact O-N 3.34Å
121	E	60.9	Low	57.5	Low	102 Å²	102	90.2 Å²	90.2	48%	0.477	45%	0.448	S	S	.	.	H	α-helix	trans	-61.1	-37.8	-178.9	-162	164.8	122.2	0	0	112.2	Y117 F118 K123	Y117-E121 WeakPolarHBondContact CE1-OE2 3.33Å; Y117-E121 PolarHBondContact O-N 3.23Å; Y117-E121 PolarHBondContact OH-OE2 3.49Å; F118-E121 PolarHBondContact O-N 2.95Å; E121-K123 VanDerWaalsContact C-N 3.32Å; E121-K123 PolarHBondContact O-N 3.49Å
122	E	54.3	Low	57.2	Low	50 Å²	50	91.3 Å²	91.3	23%	0.234	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-79.7	-10.7	176.7	-92.5	159.8	130.4	0	0	113.9	F118 Y120 D124 Q133 T136	F118-E122 PolarHBondContact O-N 3.33Å; F118-E122 VanDerWaalsContact O-N 3.15Å; Y120-E122 VanDerWaalsContact C-N 3.31Å; Y120-E122 PolarHBondContact O-N 2.83Å; E122-D124 VanDerWaalsContact C-N 3.34Å; E122-Q133 VanDerWaalsContact C-NE2 3.33Å; E122-Q133 HydrophobicContact CB-CG 3.79Å; E122-Q133 HydrophobicContact CG-CG 4.41Å; E122-Q133 PolarHBondContact O-NE2 3.46Å; E122-T136 WeakPolarHBondContact OE1-CG2 3.38Å
123	K	51.2	Low	56.9	Low	68 Å²	68	89.1 Å²	89.1	30%	0.296	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-79.8	-18.4	-177.6	-152.9	175.7	174.4	174	0	113.4	S39 Y119 Y120 E121	S39-K123 PolarHBondContact O-NZ 3.43Å; S39-K123 WeakPolarHBondContact OG-CE 3.3Å; S39-K123 PolarHBondContact OG-NZ 2.83Å; Y119-K123 HydrophobicContact CE1-CD 4.26Å; Y120-K123 WeakPolarHBondContact O-CB 3.48Å; Y120-K123 PolarHBondContact O-N 3.34Å; E121-K123 VanDerWaalsContact C-N 3.32Å; E121-K123 PolarHBondContact O-N 3.49Å
124	D	51.7	Low	56.6	Low	129 Å²	129	89.4 Å²	89.4	69%	0.69	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-83.8	-10.9	175.8	-72	-29.7	0	0	0	112.8	E122	E122-D124 VanDerWaalsContact C-N 3.34Å
125	E	50.9	Low	56.2	Low	153 Å²	153	95 Å²	95	72%	0.715	47%	0.474	S	S	*	.	S	Bend	trans	-96.3	93.7	172.4	-61.7	-159.6	162.6	0	0	110.3
126	D	52.8	Low	56	Low	150 Å²	150	94.4 Å²	94.4	80%	0.802	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	141.5	174.3	-88.1	-45.7	0	0	0	112.7
127	D	52.2	Low	55.7	Low	166 Å²	166	93.7 Å²	93.7	89%	0.888	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	13.7	167.5	-70.9	-38.3	0	0	0	121.5
128	A	47.5	Very low	55.4	Low	58 Å²	58	91.5 Å²	91.5	48%	0.479	47%	0.468	S	S	.	.			trans	-91.2	109.9	165.9	0	0	0	0	0	111.8	K130	A128-K130 PolarHBondContact O-N 3.48Å
129	S	51.8	Low	55.4	Low	78 Å²	78	96.5 Å²	96.5	55%	0.545	49%	0.49	S	S	.	.			trans	-32.3	121.6	174.2	59.2	0	0	0	0	114	C131 T132	S129-C131 PolarHBondContact O-N 3.48Å; S129-T132 PolarHBondContact O-N 3.38Å; S129-T132 PolarHBondContact OG-OG1 3.07Å
130	K	54.2	Low	55.3	Low	178 Å²	178	99.7 Å²	99.7	77%	0.774	50%	0.502	S	S	*	.	H	α-helix	trans	-45.6	-24.4	-175.7	-65.9	-179.5	176.8	178.3	0	115.6	A128 I134	A128-K130 PolarHBondContact O-N 3.48Å; K130-I134 WeakPolarHBondContact O-CD1 3.29Å; K130-I134 WeakPolarHBondContact O-CG1 3.32Å
131	C	48.8	Very low	55.5	Low	86 Å²	86	94.6 Å²	94.6	58%	0.581	48%	0.483	S	S	*	.	H	α-helix	trans	-76.8	-23.8	178.9	-157	0	0	0	0	113.6	S129 K135	S129-C131 PolarHBondContact O-N 3.48Å; C131-K135 WeakPolarHBondContact O-CG 3.1Å
132	T	54.4	Low	55.8	Low	73 Å²	73	94.6 Å²	94.6	45%	0.448	49%	0.485	S	S	.	.	H	α-helix	trans	-84.3	-40.6	-179.6	-46.7	0	0	0	0	111.1	S129 I134 K135 T136	S129-T132 PolarHBondContact O-N 3.38Å; S129-T132 PolarHBondContact OG-OG1 3.07Å; T132-I134 PolarHBondContact O-N 3.38Å; T132-K135 PolarHBondContact O-N 3.32Å; T132-K135 VanDerWaalsContact O-N 3.12Å; T132-T136 PolarHBondContact O-N 3.05Å; T132-T136 PolarHBondContact O-OG1 3.29Å
133	Q	57.6	Low	56.4	Low	28 Å²	28	93.9 Å²	93.9	13%	0.131	49%	0.491	C	S	.	.	H	α-helix	trans	-53.8	-48.6	171.5	-106.6	172.5	3.2	0	0	112.8	E122 K135 T136 A137	E122-Q133 VanDerWaalsContact C-NE2 3.33Å; E122-Q133 HydrophobicContact CB-CG 3.79Å; E122-Q133 HydrophobicContact CG-CG 4.41Å; E122-Q133 PolarHBondContact O-NE2 3.46Å; Q133-K135 VanDerWaalsContact C-N 3.26Å; Q133-K135 PolarHBondContact O-N 3.44Å; Q133-T136 PolarHBondContact O-N 3.38Å; Q133-A137 WeakPolarHBondContact O-CB 3.21Å; Q133-A137 PolarHBondContact O-N 2.98Å
134	I	56.8	Low	57	Low	87 Å²	87	94.5 Å²	94.5	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-63.9	-35.2	179.8	-61.6	167	0	0	0	110.7	K130 T132 L138	K130-I134 WeakPolarHBondContact O-CD1 3.29Å; K130-I134 WeakPolarHBondContact O-CG1 3.32Å; T132-I134 PolarHBondContact O-N 3.38Å; I134-L138 WeakPolarHBondContact O-CB 3.12Å; I134-L138 PolarHBondContact O-N 3.35Å
135	K	57.3	Low	57.9	Low	143 Å²	143	91.2 Å²	91.2	62%	0.622	48%	0.479	S	S	*	.	H	α-helix	trans	-73.3	-34.9	179	-75.7	179.6	179.6	-178.5	0	112.9	C131 T132 Q133 K139	C131-K135 WeakPolarHBondContact O-CG 3.1Å; T132-K135 PolarHBondContact O-N 3.32Å; T132-K135 VanDerWaalsContact O-N 3.12Å; Q133-K135 VanDerWaalsContact C-N 3.26Å; Q133-K135 PolarHBondContact O-N 3.44Å; K135-K139 WeakPolarHBondContact O-CB 3.47Å; K135-K139 PolarHBondContact O-N 3.48Å; K135-K139 VanDerWaalsContact O-N 3.1Å
136	T	58.9	Low	58.9	Low	41 Å²	41	87.7 Å²	87.7	25%	0.252	47%	0.468	S	S	.	.	H	α-helix	trans	-71.6	-49.5	176.1	-59.3	0	0	0	0	110.5	E122 T132 Q133 L138 K139 Y140	E122-T136 WeakPolarHBondContact OE1-CG2 3.38Å; T132-T136 PolarHBondContact O-N 3.05Å; T132-T136 PolarHBondContact O-OG1 3.29Å; Q133-T136 PolarHBondContact O-N 3.38Å; T136-L138 VanDerWaalsContact C-N 3.33Å; T136-L138 PolarHBondContact O-N 2.87Å; T136-K139 WeakPolarHBondContact O-CB 3.42Å; T136-K139 PolarHBondContact O-N 2.9Å; T136-K139 VanDerWaalsContact O-N 3.15Å; T136-Y140 HydrophobicContact CG2-CD2 3.9Å; T136-Y140 HydrophobicContact CG2-CE2 3.53Å; T136-Y140 WeakPolarHBondContact O-CD2 3.23Å; T136-Y140 PolarHBondContact O-N 2.88Å; T136-Y140 VanDerWaalsContact O-N 3.15Å
137	A	56.9	Low	59.8	Low	1 Å²	1	85 Å²	85	1%	0.008	45%	0.452	C	S	.	.	H	α-helix	trans	-55.7	-47.4	175.3	0	0	0	0	0	111.3	F115 F118 Q133 K139 Y140 T141	F115-A137 HydrophobicContact CD2-CB 4.44Å; F115-A137 HydrophobicContact CE2-CB 4.36Å; F118-A137 HydrophobicContact CB-CB 4.39Å; Q133-A137 WeakPolarHBondContact O-CB 3.21Å; Q133-A137 PolarHBondContact O-N 2.98Å; A137-K139 VanDerWaalsContact C-N 3.34Å; A137-K139 PolarHBondContact O-N 3.41Å; A137-Y140 PolarHBondContact O-N 2.88Å; A137-Y140 VanDerWaalsContact O-N 3.13Å; A137-T141 PolarHBondContact O-N 3.41Å; A137-T141 PolarHBondContact O-OG1 2.88Å
138	L	59.8	Low	60.3	Low	91 Å²	91	78.1 Å²	78.1	48%	0.476	42%	0.417	S	S	.	.	H	α-helix	trans	-67.3	-31.9	-179.1	-154.2	158.1	0	0	0	112.4	I134 T136 L142	I134-L138 WeakPolarHBondContact O-CB 3.12Å; I134-L138 PolarHBondContact O-N 3.35Å; T136-L138 VanDerWaalsContact C-N 3.33Å; T136-L138 PolarHBondContact O-N 2.87Å; L138-L142 VanDerWaalsContact O-CB 3.27Å; L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 PolarHBondContact O-N 3.27Å
139	K	63.8	Low	61.4	Low	166 Å²	166	77.8 Å²	77.8	72%	0.722	41%	0.414	S	S	*	.	H	α-helix	trans	-62.9	-41	171	-97.1	-179.3	171.1	179.9	0	112.2	K135 T136 A137 G143	K135-K139 WeakPolarHBondContact O-CB 3.47Å; K135-K139 PolarHBondContact O-N 3.48Å; K135-K139 VanDerWaalsContact O-N 3.1Å; T136-K139 WeakPolarHBondContact O-CB 3.42Å; T136-K139 PolarHBondContact O-N 2.9Å; T136-K139 VanDerWaalsContact O-N 3.15Å; A137-K139 VanDerWaalsContact C-N 3.34Å; A137-K139 PolarHBondContact O-N 3.41Å; K139-G143 PolarHBondContact O-N 2.94Å
140	Y	60.1	Low	62.6	Low	136 Å²	136	78.9 Å²	78.9	53%	0.533	41%	0.413	S	S	.	.	H	α-helix	trans	-76.7	-37.6	178.1	-70.2	-66.1	0	0	0	112.5	F118 T136 A137 L142 G143 F144	F118-Y140 HydrophobicContact CD1-CD2 4.18Å; F118-Y140 AromaticContact CE1-CD2 3.7Å; F118-Y140 HydrophobicContact CE1-CD2 3.7Å; F118-Y140 HydrophobicContact CE1-CE2 4.03Å; F118-Y140 HydrophobicContact CE1-CG 4.17Å; F118-Y140 HydrophobicContact CE2-CG 4.26Å; F118-Y140 HydrophobicContact CZ-CD1 4.34Å; F118-Y140 AromaticContact CZ-CD2 3.92Å; F118-Y140 HydrophobicContact CZ-CD2 3.92Å; F118-Y140 HydrophobicContact CZ-CE2 4.38Å; F118-Y140 AromaticContact CZ-CG 3.89Å; F118-Y140 HydrophobicContact CZ-CG 3.89Å; T136-Y140 HydrophobicContact CG2-CD2 3.9Å; T136-Y140 HydrophobicContact CG2-CE2 3.53Å; T136-Y140 WeakPolarHBondContact O-CD2 3.23Å; T136-Y140 PolarHBondContact O-N 2.88Å; T136-Y140 VanDerWaalsContact O-N 3.15Å; A137-Y140 PolarHBondContact O-N 2.88Å; A137-Y140 VanDerWaalsContact O-N 3.13Å; Y140-L142 VanDerWaalsContact C-N 3.26Å; Y140-L142 PolarHBondContact O-N 2.96Å; Y140-G143 PolarHBondContact O-N 3.19Å; Y140-F144 PolarHBondContact O-N 3.43Å
141	T	63.3	Low	63.4	Low	3 Å²	3	75.5 Å²	75.5	2%	0.018	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-34.9	172.5	-25.3	0	0	0	0	111.2	F111 F115 A137 F144 V145	F111-T141 HydrophobicContact CB-CG2 4.47Å; F111-T141 HydrophobicContact CD1-CG2 4.03Å; F111-T141 HydrophobicContact CD2-CG2 3.26Å; F111-T141 HydrophobicContact CE1-CG2 4Å; F111-T141 HydrophobicContact CE2-CG2 3.23Å; F111-T141 HydrophobicContact CG-CG2 3.67Å; F111-T141 HydrophobicContact CZ-CG2 3.62Å; F115-T141 HydrophobicContact CB-CG2 4.16Å; A137-T141 PolarHBondContact O-N 3.41Å; A137-T141 PolarHBondContact O-OG1 2.88Å; T141-F144 PolarHBondContact O-N 3Å; T141-V145 VanDerWaalsContact O-CG2 3.25Å; T141-V145 WeakPolarHBondContact O-CG2 3.16Å; T141-V145 PolarHBondContact O-N 2.99Å
142	L	66.5	Low	64.2	Low	102 Å²	102	76.9 Å²	76.9	53%	0.534	40%	0.404	S	S	.	.	H	α-helix	trans	-63.4	-40.8	174.4	-165.2	79.3	0	0	0	112.2	L138 Y140 F144 V145 V146	L138-L142 VanDerWaalsContact O-CB 3.27Å; L138-L142 WeakPolarHBondContact O-CB 3.29Å; L138-L142 PolarHBondContact O-N 3.27Å; Y140-L142 VanDerWaalsContact C-N 3.26Å; Y140-L142 PolarHBondContact O-N 2.96Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 2.82Å; L142-V145 PolarHBondContact O-N 2.97Å; L142-V146 WeakPolarHBondContact O-CG2 3.4Å; L142-V146 PolarHBondContact O-N 2.86Å
143	G	68.1	Low	65	Low	35 Å²	35	79.1 Å²	79.1	36%	0.361	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-41.6	175.3	0	0	0	0	0	112.2	K139 Y140 V146 I147	K139-G143 PolarHBondContact O-N 2.94Å; Y140-G143 PolarHBondContact O-N 3.19Å; G143-V146 PolarHBondContact O-N 2.8Å; G143-I147 WeakPolarHBondContact O-CG1 3.36Å; G143-I147 PolarHBondContact O-N 3.43Å; G143-I147 VanDerWaalsContact O-N 3.11Å
144	F	64.5	Low	65.7	Low	81 Å²	81	81.5 Å²	81.5	36%	0.355	43%	0.429	S	S	.	.	H	α-helix	trans	-69.2	-39.4	176.9	-149.6	-104.8	0	0	0	112.3	F110 P114 Y140 T141 L142 V146 I147 C148	F110-F144 HydrophobicContact CB-CD1 4.2Å; F110-F144 HydrophobicContact CB-CE1 3.97Å; F110-F144 HydrophobicContact CD1-CD1 4.12Å; F110-F144 AromaticContact CD1-CE1 3.36Å; F110-F144 HydrophobicContact CD1-CE1 3.36Å; F110-F144 HydrophobicContact CD1-CZ 4.05Å; F110-F144 HydrophobicContact CE1-CE1 4.25Å; F110-F144 HydrophobicContact CG-CE1 4.09Å; F110-F144 WeakPolarHBondContact O-CD1 3.46Å; F110-F144 WeakPolarHBondContact O-CE1 3.29Å; P114-F144 HydrophobicContact CG-CD1 4.1Å; P114-F144 HydrophobicContact CG-CE1 4.26Å; Y140-F144 PolarHBondContact O-N 3.43Å; T141-F144 PolarHBondContact O-N 3Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 2.82Å; F144-V146 VanDerWaalsContact C-N 3.29Å; F144-V146 PolarHBondContact O-N 3.36Å; F144-I147 PolarHBondContact O-N 3.43Å; F144-C148 PolarHBondContact O-N 2.89Å; F144-C148 PolarHBondContact O-SG 3.35Å
145	V	68.9	Low	66	Low	59 Å²	59	79 Å²	79	36%	0.358	42%	0.424	S	S	.	.	H	α-helix	trans	-58.8	-40.1	172.4	169.8	0	0	0	0	111.8	F111 T141 L142 C148 A149	F111-V145 HydrophobicContact CD2-CG2 3.4Å; F111-V145 VanDerWaalsContact CD2-CG2 3.4Å; F111-V145 HydrophobicContact CE2-CG2 3.71Å; T141-V145 VanDerWaalsContact O-CG2 3.25Å; T141-V145 WeakPolarHBondContact O-CG2 3.16Å; T141-V145 PolarHBondContact O-N 2.99Å; L142-V145 PolarHBondContact O-N 2.97Å; V145-C148 PolarHBondContact O-N 3.43Å; V145-A149 WeakPolarHBondContact O-CB 3.4Å; V145-A149 PolarHBondContact O-N 2.94Å
146	V	72.2	Confident	66.2	Low	80 Å²	80	73.5 Å²	73.5	49%	0.485	41%	0.409	S	S	.	.	H	α-helix	trans	-65.2	-43.2	176.5	170.4	0	0	0	0	111	L142 G143 F144 C148 A149 L150	L142-V146 WeakPolarHBondContact O-CG2 3.4Å; L142-V146 PolarHBondContact O-N 2.86Å; G143-V146 PolarHBondContact O-N 2.8Å; F144-V146 VanDerWaalsContact C-N 3.29Å; F144-V146 PolarHBondContact O-N 3.36Å; V146-C148 VanDerWaalsContact C-N 3.31Å; V146-C148 PolarHBondContact O-N 2.96Å; V146-A149 PolarHBondContact O-N 3.4Å; V146-L150 HydrophobicContact CG1-CD1 4.28Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.3Å; V146-L150 PolarHBondContact O-N 2.87Å
147	I	71.6	Confident	66.1	Low	93 Å²	93	77.7 Å²	77.7	48%	0.477	43%	0.429	S	S	.	.	H	α-helix	trans	-63	-39.1	175.6	-67	162.9	0	0	0	111	G143 F144 L150 L151	G143-I147 WeakPolarHBondContact O-CG1 3.36Å; G143-I147 PolarHBondContact O-N 3.43Å; G143-I147 VanDerWaalsContact O-N 3.11Å; F144-I147 PolarHBondContact O-N 3.43Å; I147-L150 WeakPolarHBondContact O-CB 3.27Å; I147-L150 PolarHBondContact O-N 3.49Å; I147-L151 HydrophobicContact CG2-CD1 4.13Å; I147-L151 PolarHBondContact O-N 3.28Å
148	C	63.6	Low	65.7	Low	22 Å²	22	84.8 Å²	84.8	15%	0.149	46%	0.462	C	S	.	.	H	α-helix	trans	-67.2	-41.6	174.8	-69.6	0	0	0	0	112.9	F110 F144 V145 V146 L150 L151 L152	F110-C148 WeakPolarHBondContact CD1-SG 3.25Å; F144-C148 PolarHBondContact O-N 2.89Å; F144-C148 PolarHBondContact O-SG 3.35Å; V145-C148 PolarHBondContact O-N 3.43Å; V146-C148 VanDerWaalsContact C-N 3.31Å; V146-C148 PolarHBondContact O-N 2.96Å; C148-L150 PolarHBondContact O-N 2.91Å; C148-L151 PolarHBondContact O-N 3.47Å; C148-L152 WeakPolarHBondContact O-CB 3.46Å; C148-L152 WeakPolarHBondContact O-CG 3.48Å; C148-L152 PolarHBondContact O-N 3.45Å
149	A	71.3	Confident	65.2	Low	50 Å²	50	87.8 Å²	87.8	41%	0.413	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-37.7	174.5	0	0	0	0	0	110.8	V145 V146 L153	V145-A149 WeakPolarHBondContact O-CB 3.4Å; V145-A149 PolarHBondContact O-N 2.94Å; V146-A149 PolarHBondContact O-N 3.4Å; A149-L153 VanDerWaalsContact O-CB 3.27Å; A149-L153 WeakPolarHBondContact O-CB 3.23Å; A149-L153 VanDerWaalsContact O-CG 3.29Å; A149-L153 WeakPolarHBondContact O-CG 3.3Å; A149-L153 PolarHBondContact O-N 3.46Å
150	L	76.6	Confident	64.6	Low	102 Å²	102	88 Å²	88	53%	0.534	48%	0.481	S	S	.	.	H	α-helix	trans	-67.9	-45.1	173.5	-69.2	170.2	0	0	0	112.3	V146 I147 C148 L152 L153 V154	V146-L150 HydrophobicContact CG1-CD1 4.28Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.3Å; V146-L150 PolarHBondContact O-N 2.87Å; I147-L150 WeakPolarHBondContact O-CB 3.27Å; I147-L150 PolarHBondContact O-N 3.49Å; C148-L150 PolarHBondContact O-N 2.91Å; L150-L152 PolarHBondContact O-N 2.87Å; L150-L153 PolarHBondContact O-N 2.95Å; L150-V154 WeakPolarHBondContact O-CB 3.09Å; L150-V154 VanDerWaalsContact O-CG2 3.24Å; L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.43Å
151	L	69.9	Low	63.6	Low	106 Å²	106	90 Å²	90	56%	0.555	51%	0.513	S	S	*	.	H	α-helix	trans	-63.6	-38.7	176.4	-80.8	166.5	0	0	0	112.6	I147 C148 V154 G155	I147-L151 HydrophobicContact CG2-CD1 4.13Å; I147-L151 PolarHBondContact O-N 3.28Å; C148-L151 PolarHBondContact O-N 3.47Å; L151-V154 PolarHBondContact O-N 2.94Å; L151-G155 PolarHBondContact O-N 3.5Å
152	L	65.7	Low	63.7	Low	115 Å²	115	94.3 Å²	94.3	60%	0.602	54%	0.537	S	S	*	.	H	α-helix	trans	-70.8	-37.3	174.9	-75.4	172.9	0	0	0	112	L106 C148 L150 V154 G155 G156	L106-L152 HydrophobicContact CD1-CD2 4.45Å; C148-L152 WeakPolarHBondContact O-CB 3.46Å; C148-L152 WeakPolarHBondContact O-CG 3.48Å; C148-L152 PolarHBondContact O-N 3.45Å; L150-L152 PolarHBondContact O-N 2.87Å; L152-V154 VanDerWaalsContact C-N 3.35Å; L152-G155 PolarHBondContact O-N 3.28Å; L152-G156 PolarHBondContact O-N 2.97Å
153	L	71.4	Confident	63.5	Low	120 Å²	120	93.9 Å²	93.9	63%	0.628	54%	0.537	S	S	*	.	H	α-helix	trans	-62.4	-43.6	171.2	-85.6	166.2	0	0	0	111.1	A149 L150 L157	A149-L153 VanDerWaalsContact O-CB 3.27Å; A149-L153 WeakPolarHBondContact O-CB 3.23Å; A149-L153 VanDerWaalsContact O-CG 3.29Å; A149-L153 WeakPolarHBondContact O-CG 3.3Å; A149-L153 PolarHBondContact O-N 3.46Å; L150-L153 PolarHBondContact O-N 2.95Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 PolarHBondContact O-N 2.92Å
154	V	72.9	Confident	63.3	Low	78 Å²	78	97.2 Å²	97.2	47%	0.473	55%	0.547	S	S	.	.	H	α-helix	trans	-65	-46.6	176.2	171.3	0	0	0	0	110.8	L150 L151 L152 G156 L157 E158	L150-V154 WeakPolarHBondContact O-CB 3.09Å; L150-V154 VanDerWaalsContact O-CG2 3.24Å; L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.43Å; L151-V154 PolarHBondContact O-N 2.94Å; L152-V154 VanDerWaalsContact C-N 3.35Å; V154-G156 PolarHBondContact O-N 3.34Å; V154-L157 WeakPolarHBondContact O-CB 3.18Å; V154-L157 PolarHBondContact O-N 3.42Å; V154-E158 WeakPolarHBondContact O-CB 3.45Å; V154-E158 PolarHBondContact O-N 3.01Å
155	G	62.7	Low	63.2	Low	34 Å²	34	98.1 Å²	98.1	35%	0.351	56%	0.559	S	S	.	*	H	α-helix	trans	-64.2	-37	177.6	0	0	0	0	0	113.7	L151 L152 E158 L159	L151-G155 PolarHBondContact O-N 3.5Å; L152-G155 PolarHBondContact O-N 3.28Å; G155-E158 PolarHBondContact O-N 3.28Å; G155-L159 PolarHBondContact O-N 3.42Å
156	G	61.1	Low	62.8	Low	29 Å²	29	100.6 Å²	100.6	30%	0.299	57%	0.571	S	S	.	*	H	α-helix	trans	-67.9	-40.6	172.8	0	0	0	0	0	112.4	L152 V154 E158 L159 E160	L152-G156 PolarHBondContact O-N 2.97Å; V154-G156 PolarHBondContact O-N 3.34Å; G156-E158 VanDerWaalsContact C-N 3.27Å; G156-E158 PolarHBondContact O-N 2.86Å; G156-L159 PolarHBondContact O-N 3.36Å; G156-E160 PolarHBondContact O-N 3.21Å
157	L	57.4	Low	62.2	Low	128 Å²	128	101.9 Å²	101.9	67%	0.67	58%	0.577	S	S	*	*	H	α-helix	trans	-63.8	-32.1	175.9	-162.8	81.1	0	0	0	112.4	L153 V154 E160	L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 PolarHBondContact O-N 2.92Å; V154-L157 WeakPolarHBondContact O-CB 3.18Å; V154-L157 PolarHBondContact O-N 3.42Å; L157-E160 PolarHBondContact O-N 3.49Å
158	E	48.7	Very low	61.5	Low	150 Å²	150	102.6 Å²	102.6	70%	0.701	58%	0.584	S	S	*	*	H	α-helix	trans	-78.8	-18.9	178.8	-141.8	151.8	89.2	0	0	113.1	V154 G155 G156	V154-E158 WeakPolarHBondContact O-CB 3.45Å; V154-E158 PolarHBondContact O-N 3.01Å; G155-E158 PolarHBondContact O-N 3.28Å; G156-E158 VanDerWaalsContact C-N 3.27Å; G156-E158 PolarHBondContact O-N 2.86Å
159	L	49.2	Very low	61.4	Low	154 Å²	154	108.8 Å²	108.8	81%	0.806	62%	0.617	S	S	*	*	H	α-helix	trans	-85.1	-14.6	172.9	-99.1	142.7	0	0	0	113.2	G155 G156	G155-L159 PolarHBondContact O-N 3.42Å; G156-L159 PolarHBondContact O-N 3.36Å
160	E	51.4	Low	60.5	Low	171 Å²	171	113.7 Å²	113.7	80%	0.799	63%	0.634	S	S	*	*			trans	-95.7	5	178.1	-80.5	168.4	59.5	0	0	113.6	G156 L157	G156-E160 PolarHBondContact O-N 3.21Å; L157-E160 PolarHBondContact O-N 3.49Å
161	C	39.5	Very low	59.1	Low	177 Å²	177	114.7 Å²	114.7	100%	1.196	64%	0.644	S	S	*	*			trans	-112.8	0	179.1	-128.8	0	0	0	0	111.3

Retrieved 161 of 161 residues in 76.3 ms (Link to these results)

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